"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.094","Br.095","C.","C.001","C.002","C.003","C.004","C.005","C.006","C.007","C.008","C.009","C.011","C.012","C.013","C.014","C.015","C.016","C.017","C.018","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.037","C.039","C.040","C.041","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_LL","CATS2D_01_NL","CATS2D_01_PN","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_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_NN","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_NN","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_08_PN","CATS2D_08_PP","CATS2D_09_AA","CATS2D_09_AL","CATS2D_09_AN","CATS2D_09_AP","CATS2D_09_DA","CATS2D_09_DD","CATS2D_09_DL","CATS2D_09_DN","CATS2D_09_DP","CATS2D_09_LL","CATS2D_09_NL","CATS2D_09_PL","CATS2D_09_PN","CATS2D_09_PP","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.089","CMC.50","CMC.80","cRo5","CSI","DBI","D.Dtr03","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.ed.","Eig10_EA.ri.","Eig11_AEA.bo.","Eig11_AEA.dm.","Eig11_AEA.ed.","Eig11_AEA.ri.","Eig11_EA","Eig11_EA.bo.","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.ed.","Eig12_EA.ri.","Eig13_AEA.bo.","Eig13_AEA.dm.","Eig13_AEA.ed.","Eig13_AEA.ri.","Eig13_EA","Eig13_EA.bo.","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.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","HDcpx","HNar","HVcpx","Hy","Hypertens.50","Hypertens.80","Hypnotic.50","Hypnotic.80","I.099","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.078","N.079","NaaaC","NaaCH","NaaN","NaaNH","NaaO","NaaS","NaasC","NaasN","nAB","nArCHO","nArCN","nArCO","nArCONH2","nArCONHR","nArCONR2","nArCOOH","nArCOOR","nArNH2","nArNHR","nArNO2","nArNR2","nArOH","nArOR","nArX","nAT","nBM","nBnz","nBO","nBR","nBT","nC","nCar","nCb.","nCbH","nCconj","nCIC","nCIR","nCL","nC.N.N.","nC..N.N2","nCp","nCq","nCrs","nCrt","nCRX3","nCs","nCsp","nCsp2","nCsp3","nCt","nDB","NdCH2","NddsN","NddssS","NdO","NdsCH","NdsN","NdssC","NdssS","Neoplastic.50","Neoplastic.80","nF","nFuranes","nH","nHAcc","nHDon","nHet","nHM","nI","nImidazoles","nN","nN.","nN.C.N.","nN.CO.2","nN.N","NNRS","nO","nOHp","nOHs","nOxolanes","nPyrazines","nPyridines","nPyrimidines","nPyrroles","nPyrrolidines","nR03","nR05","nR06","nR07","nR08","nR09","nR10","nR11","nR12","nR.C.","nR.CH.X","nRCONHR","nRCONR2","nRCOOH","nRCOOR","nR.Cp","nR.Cs","nR.Ct","nRNH2","nRNHR","nRNR2","nROH","nROR","NRS","nRSR","nS","NsBr","NsCH3","NsCl","NsF","NsI","nSK","NsNH2","nSO","nS..O.2","nSO2N","NsOH","NssCH2","NssNH","NssO","NssS","NsssCH","NsssN","NssssC","nTB","NtCH","nThiophenes","NtN","NtsC","nX","O.","O.056","O.057","O.058","O.059","O.060","O.061","ON0","ON0V","ON1","ON1V","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_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","P_VSA_v_4","PW2","PW3","PW4","PW5","Qindex","Ram","RBF","RBN","Rbrid","RCI","RDCHI","RDSQ","RFD","Rperim","S0K","S.107","S.109","S.110","S1K","S2K","S3K","SaaaC","SAacc","SaaCH","SaaN","SaaNH","SaaO","SaaS","SaasC","SaasN","SAdon","SAtot","SCBO","SdCH2","SddsN","SddssS","SdO","SdsCH","SdsN","SdssC","SdssS","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","SsI","SsNH2","SsOH","SssCH2","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 1.862,2 8.583,3 0.98,4 0.96,5 86.11,6 8.955,7 0.615,8 3.787,9 3.904,10 3.479,11 3.157,12 5.144,13 3.234,14 4.24,15 4.384,16 3.854,17 3.512,18 5.696,19 3.588,20 4.323,21 4.453,22 3.942,23 3.617,24 5.706,25 3.694,26 4.465,27 4.606,28 3.966,29 3.668,30 5.87,31 3.723,32 4.59,33 4.778,34 3.867,35 3.614,36 6.021,37 3.642,38 4.438,39 4.634,40 3.749,41 3.489,42 5.806,43 3.514,44 4.322,45 4.521,46 3.622,47 3.296,48 5.767,49 3.362,50 4.208,51 4.399,52 3.451,53 3.126,54 5.796,55 3.174,56 0.288,57 0.597,58 5.589,59 2.271,60 18.482,61 2.698,62 0.625,63 0.858,64 11.856,65 4.222,66 65.966,67 4.911,68 0.566,69 0.973,70 10.43,71 3.906,72 38.542,73 4.524,74 0.651,75 1.006,76 12.735,77 5.183,78 52.744,79 5.972,80 1.123,81 0.941,82 19.586,83 4.966,84 95.798,85 6.657,86 0.837,87 0.809,88 17.453,89 5.078,90 74.991,91 7.085,92 0.774,93 0.702,94 15.549,95 3.463,96 80.899,97 4.679,98 0.759,99 0.571,100 13.568,101 3.13,102 95.762,103 4.207,104 46,105 38,106 0.332,107 0.707,108 0.767,109 0.805,110 0.815,111 0.824,112 3.23,113 0.766,114 -2.93,115 -2.93,116 -2.83,119 35.1,124 2,139 2,140 1,141 3,143 1,144 1,147 1,155 2,157 2,158 2,159 2,160 2,166 1,169 2,170 5,172 3,173 5,175 1,178 1,181 3,182 9,184 1,185 1,187 1,189 1,192 2,193 5,195 1,196 3,197 3,198 1,200 4,205 1,206 6,207 2,209 1,210 4,212 1,218 1,220 4,221 2,224 1,226 2,231 2,233 4,234 1,236 1,237 1,239 2,243 2,245 4,248 4,249 4,251 1,256 1,259 1,262 4,263 4,273 782,274 15.911,275 15.911,276 15.911,277 15.911,278 15.911,279 13.739,280 18.51,281 9.008,282 16.591,283 12.687,284 12.687,285 12.687,286 12.687,287 12.687,288 9.222,289 22.288,290 4.084,291 13.615,292 3.348,293 1.24,294 0.906,295 0.689,296 0.635,297 0.581,298 3.903,301 1,302 1,303 431,304 3.082,306 46.258,307 138.391,310 91.846,314 1.201,315 37.483,318 0.75,319 0.83,320 0.83,321 0.3,323 0.67,324 0.5,325 0.55,326 55.5,327 206,328 4.65,329 3.811,330 6.737,331 4.187,332 3.23,333 4.583,334 2.612,335 11.018,336 3.096,337 4.456,338 3.221,339 6.479,340 3.969,341 3.02,342 4.233,343 0.86,344 10.09,345 2.861,346 3.977,347 3.131,348 6.035,349 3.542,350 2.608,351 3.482,352 0.86,353 8.585,354 2.425,355 3.793,356 2.665,357 5.562,358 3.271,359 2.334,360 3.267,362 7.045,363 2.189,364 3.462,365 2.223,366 5.048,367 2.987,368 2.061,369 2.82,371 5.887,372 1.901,373 3.349,374 2.198,375 5.009,376 2.835,377 1.905,378 2.695,380 5.695,381 1.767,382 2.933,383 2.049,384 4.459,385 2.46,386 1.555,387 2.049,389 4.221,390 1.401,391 2.771,392 1.586,393 4.162,394 2.171,395 1.215,396 1.864,398 3.257,399 1.157,400 2.192,401 1.063,402 3.651,403 1.68,404 0.776,405 1.069,407 2.144,408 0.7,409 1.94,410 1,411 3.29,412 1.575,413 0.674,414 0.828,415 1.388,416 0.602,417 1.467,418 0.972,419 2.765,420 1.195,421 0.347,422 0.378,423 0.464,424 0.292,425 1.133,426 0.823,427 2.687,428 0.675,429 -0.237,430 -0.309,431 -0.538,432 -0.215,433 1,434 0.168,435 2.489,436 0.532,437 -0.385,438 -0.487,439 -0.885,440 -0.349,441 0.927,442 -0.205,443 2.396,444 0.355,445 -0.55,446 -0.658,448 -1.323,449 -0.498,450 0.752,451 -0.341,452 2.36,453 0.215,454 -0.752,455 -1.005,457 -2,458 -0.719,459 10.633,460 0.443,461 0.733,462 0.031,463 36.25,464 1.51,465 19,466 0.792,467 17.25,468 0.719,469 14.958,470 0.623,471 26.567,472 0.718,473 28.554,474 1.19,475 7.423,476 0.309,477 4.016,478 0.167,479 0.232,481 0.461,485 0.826,486 1.415,487 0.675,488 1.056,489 0.763,490 0.832,491 0.919,492 0.915,493 0.593,494 0.761,495 0.477,496 0.618,497 0.953,498 1.327,499 0.81,500 1.091,501 0.692,502 0.914,503 0.959,504 1.237,505 0.957,506 1.384,507 0.952,508 1.225,509 0.994,510 0.872,511 1.129,512 0.907,513 1,514 1.034,515 0.803,516 1.099,517 0.813,518 1.13,519 0.95,520 1.009,521 1.279,522 0.975,523 1.062,524 0.891,525 1.517,526 0.892,527 1.177,528 0.881,529 1.215,530 1.011,531 1.56,532 1.113,533 6,534 0.037,535 3.111,536 2.194,537 2.179,538 1.195,539 0.655,540 0.475,541 0.34,542 0.125,543 5319,544 20526,545 1.991,546 35.1,548 8,551 5,555 1.676,556 1.8,557 3.08,558 2.825,560 1,562 1,564 68.887,565 1.862,566 3.97,567 4.304,568 4.52,569 4.574,570 4.628,571 2.471,572 4.137,573 4.557,574 3.196,575 881.98,576 7.902,577 10011.7,578 1,579 1,582 192.75,583 1.555,584 4.478,585 0.231,586 0.007,587 0.082,588 0.054,589 0.054,590 0.035,591 0.021,592 0.018,593 0.016,594 0.01,595 0.528,596 0.17,597 0.88,598 1.066,599 111.362,600 -0.077,601 -0.147,602 0.012,604 -0.164,605 0.045,606 0.019,607 0.192,608 0.25,609 0.292,610 0.218,611 0.326,612 -0.129,613 -0.115,614 -0.071,615 -0.068,616 -0.064,617 -0.041,618 -0.07,619 -0.106,620 -0.151,621 -0.352,622 -0.087,623 -0.31,624 0.07,625 0.076,626 -0.135,627 0.032,628 0.006,629 -0.091,630 0.166,631 -0.186,632 0.21,633 -0.102,634 0.09,635 0.042,636 -0.193,637 -0.057,638 -0.037,639 0.009,640 -0.185,641 0.041,642 -0.007,643 0.018,644 -0.178,645 -0.125,646 -0.043,647 -0.202,648 2.548,649 4.394,650 0.625,651 18.083,652 1.045,653 1.151,654 1.698,655 2.884,656 0.652,657 3.296,658 3.664,659 3.97,660 4.277,661 4.522,662 4.682,663 4.771,664 4.86,665 4.898,666 4.883,667 5.183,668 0.665,669 331.33,670 3.296,671 4.86,672 5.733,673 6.642,674 7.54,675 8.454,676 9.359,677 10.275,678 11.183,679 12.1,680 18.9,684 2,688 1,690 3,691 1,694 2,695 2,696 3,697 1,700 7,702 16,711 2,713 1,716 2,718 37,719 18,720 1,721 26,723 39,724 13,725 11,726 4,727 2,729 3,730 4,741 11,742 2,744 2,746 1,748 2,753 1,754 1,757 13,758 9,759 5,760 11,763 1,764 7,769 0.667,770 4,776 1,780 1,781 2,784 1,802 2,806 2,810 24,811 2,818 2,829 10.8,834 2,835 2,836 13.333,837 7.3,838 5.333,839 1.771,840 3.406,841 1.476,842 0.981,843 4.129,844 10.555,845 3.611,846 4.314,847 4.958,848 5.621,849 6.214,850 6.671,851 7.107,852 7.545,853 7.873,854 8.205,855 0.833,856 41,857 8.782,859 3.793,860 8.229,861 15.696,863 12.295,865 2.729,866 65.5,870 94.169,871 67.562,872 138.607,874 72.747,877 67.562,878 166.916,879 138.607,880 27.436,882 84.747,883 54.4,884 57.359,885 4.227,886 94.169,887 50.747,888 94.169,889 206.169,890 72.747,893 94.169,894 22,895 50.747,897 24.872,898 125.27,899 56.027,901 94.169,902 211.353,903 67.562,906 94.169,907 26.844,908 46.389,909 16.786,910 188.898,911 94.169,912 211.353,913 67.562,915 0.589,916 0.359,917 0.201,918 0.113,919 19,920 10,921 0.103,922 4,923 1,924 1.133,925 3.383,926 203.129,927 0.133,928 15,929 108.039,933 16.229,934 6.105,935 2.826,936 0.544,937 188.898,938 2.701,939 12.023,940 2.855,943 0.744,945 82.58,946 373.084,947 36,949 -0.548,951 22.788,956 38.673,957 42.571,958 0.357,959 0.762,960 0.826,961 0.868,962 0.878,963 0.888,964 4.86,965 1.215,966 5.759,967 4.221,968 4.344,969 5.001,970 2.719,971 6.632,972 4.216,973 6.125,974 0.776,975 7.363,976 3.257,977 4.111,978 5.075,979 2.361,980 7.639,981 3.947,982 7.478,983 0.674,984 9.062,985 2.144,986 6.004,987 7.35,988 4.188,989 10.749,990 5.774,991 8.868,992 0.347,993 10.814,994 1.388,995 6.538,996 8.195,997 4.506,998 12.533,999 6.27,1000 10.285,1001 -0.237,1002 12.598,1003 0.464,1004 7.953,1005 9.991,1006 5.952,1007 15.174,1008 7.635,1009 11.721,1010 -0.385,1011 14.404,1012 -0.538,1013 8.825,1014 11.183,1015 6.556,1016 17.289,1017 8.467,1018 13.173,1019 -0.55,1020 16.226,1021 -0.885,1022 10.065,1023 12.798,1024 7.795,1025 19.761,1026 9.664,1027 3.23,1028 -0.752,1029 18.061,1030 -1.323,1031 11.09,1032 14.154,1033 8.548,1034 22.021,1035 10.648,1036 3.02,1037 11.018,1038 19.905,1039 -2,1040 12.266,1041 15.698,1042 9.67,1043 24.43,1044 11.783,1045 2.608,1046 10.09,1047 21.757,1048 4.583,1049 13.36,1050 17.131,1051 10.509,1052 26.755,1053 12.835,1054 2.334,1055 8.585,1056 23.616,1057 4.233,1058 14.515,1059 18.648,1060 11.563,1061 29.142,1062 13.95,1063 2.061,1064 7.045,1065 25.48,1066 3.482,1067 15.64,1068 20.118,1069 12.452,1070 31.497,1071 15.033,1072 1.905,1073 5.887,1074 27.348,1075 3.267,1076 16.79,1077 21.626,1078 13.468,1079 33.878,1080 16.143,1081 1.555,1082 5.695,1083 29.22,1084 2.82,1085 17.93,1086 23.115,1087 14.386,1088 36.247,1089 17.242,1090 5364,1091 10666,1092 16.531,1093 24.142,1094 39.519,1095 41.508,1096 42.402,1097 39.35,1098 39.449,1099 54.539,1100 8.665,1101 119.588,1102 36.781,1103 5.341,1104 5.811,1105 6.279,1106 5.26,1107 5.23,1108 7.583,1109 4.612,1110 18.194,1111 5.096,1112 14.943,1113 1.52,1114 1.596,1115 1.631,1116 1.513,1117 1.517,1118 2.098,1119 0.333,1120 4.6,1121 1.415,1122 4.125,1123 4.17,1124 4.11,1125 3.962,1126 7.815,1127 3.992,1128 3.923,1129 3.95,1130 3.905,1131 3.75,1132 6.999,1133 3.781,1134 3.537,1135 3.55,1136 3.514,1137 3.145,1138 5.346,1139 3.209,1140 3.39,1141 3.472,1142 3.335,1143 3.061,1144 4.992,1145 3.139,1146 3.24,1147 3.309,1148 3.042,1149 2.927,1150 4.933,1151 2.941,1152 3.112,1153 3.217,1154 2.974,1155 2.802,1156 4.804,1157 2.827,1158 3.083,1159 3.182,1160 2.916,1161 2.752,1162 4.495,1163 2.788,1164 2.751,1165 2.823,1166 2.589,1167 2.594,1168 4.232,1169 2.588,1170 0.179,1171 0.147,1172 0.259,1173 0.161,1174 0.124,1175 4.65,1176 0.176,1177 3.811,1178 0.1,1179 6.737,1180 0.424,1181 4.187,1182 0.119,1183 3.23,1184 4.583,1185 2.612,1186 11.018,1187 3.096,1188 1.921,1189 1.906,1190 1.975,1191 2.095,1192 1.114,1193 2.046,1194 1.781,1195 1.733,1196 1.819,1197 2,1198 0.82,1199 1.954,1200 1.343,1201 1.296,1202 1.583,1203 1.721,1204 0.587,1205 1.631,1206 1.249,1207 1.204,1208 1.576,1209 1.628,1210 0.575,1211 1.576,1212 1.174,1213 1.094,1214 1.383,1215 1.519,1216 0.373,1217 1.53,1218 1.022,1219 0.944,1220 1.267,1221 1.383,1222 0.144,1223 1.366,1224 0.997,1225 0.896,1226 1.185,1227 1.35,1229 1.346,1230 0.812,1231 0.716,1232 1.074,1233 1.167,1235 1.15,1236 3.97,1238 5.323,1239 2.398,1240 6.872,1241 4.727,1242 8.517,1243 6.862,1244 10.213,1246 2.817,1250 11.295,1254 10.281,1262 24.589,1263 68.887,1264 146.875,1265 159.24,1266 167.24,1267 169.24,1268 171.24,1269 47.293,1270 7.149,1271 170.78,1272 170.78,1273 17,1274 12.612,1275 4.248,1276 3.459,1277 38.966,1278 73,1279 71,1280 0.267,1281 153.417,1282 254.72,1283 366.096,1284 10341,1286 17.43,1287 0.726,1288 0.53,1289 17.43,1290 12.731,1291 11.439,1292 0.44,1293 0.255,1294 6.429,1295 10.57,1296 6.289,1297 5.243,1298 11.439,1299 6.637,1300 10.589,1301 0.279,1302 0.125,1303 10.589,1304 4.731,1305 8.873,1306 0.171,1307 0.064,1308 8.873,1309 3.342,1310 7.684,1311 0.108,1312 0.032,1313 7.684,1314 2.276,1315 6.075,1316 0.067,1317 0.016,1318 6.075,1319 1.46,1320 0.401,1321 74.974,1322 0.246,1323 22.735,1324 0.787,1325 128,1326 508.48,1327 150.535,1328 478.378,1329 642.27,1330 442,1331 154,1332 480.85,1333 176.678,1334 478.14,1335 696.97,1336 444,1337 4.602}
{0 CHEMBL102303,1 1.522,2 7.833,3 1.289,4 1.662,5 68.966,6 8.01,7 0.8,8 3.545,9 3.693,10 3.167,11 3.049,12 4.766,13 3.064,14 3.986,15 4.157,16 3.532,17 3.414,18 5.221,19 3.401,20 4.161,21 4.376,22 3.459,23 3.442,24 5.278,25 3.403,26 4.159,27 4.403,28 3.334,29 3.336,30 5.309,31 3.267,32 4.032,33 4.297,34 3.068,35 3.165,36 5.079,37 3.094,38 3.86,39 4.12,40 2.912,41 3.049,42 4.856,43 2.969,44 3.667,45 3.919,46 2.818,47 2.899,48 4.732,49 2.831,50 3.538,51 3.788,52 2.625,53 2.714,54 4.676,55 2.64,56 0.069,57 0.526,58 5.588,59 1.958,60 10.385,61 2.667,62 0.174,63 0.783,64 9.283,65 3.788,66 18.037,67 5.151,68 0.226,69 0.842,70 12.437,71 3.872,72 20.735,73 5.598,74 0.237,75 0.779,76 13.422,77 4.34,78 30.499,79 6.445,80 0.24,81 0.656,82 12.451,83 3.158,84 27.721,85 4.877,86 0.165,87 0.554,88 10.385,89 2.966,90 19.453,91 4.498,92 0.113,93 0.465,94 8.43,95 2.593,96 15.283,97 3.911,98 0.1,99 0.402,100 7.272,101 2.112,102 14.492,103 3.229,104 5,105 28,106 0.286,107 0.649,108 0.744,109 0.817,110 0.834,111 0.834,112 2.961,113 0.831,114 -3.72,115 -3.69,116 -3.51,119 40,121 1,139 5,140 1,144 1,146 1,147 1,149 1,155 1,157 2,158 2,159 2,166 7,169 2,170 1,172 3,173 4,175 1,178 8,182 1,185 2,186 1,187 1,188 1,189 5,192 1,193 3,195 3,196 3,197 1,198 2,200 2,201 1,205 1,207 4,211 1,212 3,214 1,218 1,221 4,226 3,231 2,234 4,239 3,243 3,246 3,251 4,256 4,260 1,265 3,270 3,273 332,274 12.171,275 12.171,276 12.171,277 12.171,278 12.171,279 10.213,280 13.601,281 7.262,282 12.461,283 9.922,284 9.922,285 9.922,286 9.922,287 9.922,288 7.035,289 17.794,290 3.525,291 10.427,292 3.385,293 1.453,294 0.945,295 0.558,296 0.467,297 0.467,298 3.639,301 1,302 1,303 306,304 2,306 33.356,307 97.696,310 65.211,314 1.204,315 14.585,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 39,327 141,328 4.579,329 3.197,330 6.534,331 4.061,332 3.121,333 4.542,334 0.68,335 10.319,336 2.933,337 3.949,338 2.851,339 5.548,340 3.577,341 2.594,342 3.482,344 7.562,345 2.555,346 3.673,347 2.356,348 5.152,349 3.186,350 2.255,351 3.147,353 6.317,354 2.093,355 3.419,356 2.144,357 5.027,358 2.948,359 2.024,360 2.779,362 5.848,363 1.867,364 3.168,365 1.873,366 4.795,367 2.704,368 1.76,369 2.424,371 5.156,372 1.659,373 2.836,374 1.456,375 3.655,376 2.368,377 1.382,378 1.984,380 3.015,381 1.36,382 2.5,383 1,384 3.582,385 2,386 1,387 1.5,389 2.159,390 1,391 2.194,392 0.853,393 3.247,394 1.677,395 0.774,396 1.073,398 2.136,399 0.699,400 1.275,401 0.201,402 2.843,403 0.934,404 -0.034,405 -0.043,407 -0.093,408 -0.033,409 1.04,410 -0.215,411 2.643,412 0.591,413 -0.33,414 -0.439,415 -0.881,416 -0.305,417 0.752,418 -0.341,419 2.36,420 0.355,421 -0.55,422 -0.658,423 -1.323,424 -0.498,425 0.5,426 -0.703,427 1.868,428 0.081,429 -0.903,430 -1.189,431 -2.211,432 -0.888,433 0.481,434 -1,435 1.555,437 -1,438 -1.5,439 -2.347,440 -1,441 0.153,442 -1.11,443 1.478,444 -0.254,445 -1.18,446 -1.643,448 -3.48,449 -1.088,450 -0.086,451 -1.32,452 1.339,453 -0.525,454 -1.457,455 -1.93,457 -3.909,458 -1.34,459 8.4,460 0.467,461 0.452,462 0.025,463 27.5,464 1.528,465 15,466 0.833,467 12.5,468 0.694,469 9.754,470 0.542,471 18.6,472 0.62,473 16.697,474 0.928,475 5.494,476 0.305,477 3.226,478 0.179,479 0.095,481 0.357,485 1.222,486 1.256,487 0.788,488 0.857,489 1.347,490 0.762,491 0.404,492 1.026,493 0.7,494 1.077,495 0.413,496 0.966,497 1.085,498 1.065,499 1.061,500 1.05,501 0.978,502 1.051,503 0.678,504 1.051,505 0.946,506 1.162,507 0.609,508 1.113,509 1.418,510 0.876,511 1.194,512 0.862,513 1.309,514 0.965,515 1.227,516 0.908,517 1.095,518 0.9,519 1.062,520 0.961,521 0.998,522 0.991,523 0.909,524 0.914,525 0.938,526 0.899,527 1.157,528 1.186,529 1.1,530 1.125,531 1.187,532 1.106,533 4,534 0.012,535 1.333,536 1.507,537 0.881,538 0.383,539 0.273,540 0.161,541 0.1,542 0.046,543 2889,544 8034,545 2.12,546 40,548 5,551 5,552 2,555 1.585,556 2,557 2.981,558 3.026,560 1,562 1,564 45.658,565 1.522,566 3.454,567 3.961,568 4.348,569 4.44,570 4.44,571 2.441,572 3.461,573 4.143,574 3.077,575 470.763,576 7.02,577 4387.72,578 1,579 1,582 147.207,583 1.352,584 4.109,585 0.2,586 0.012,587 0.048,588 0.06,589 0.042,590 0.024,591 0.019,592 0.012,593 0.01,594 0.009,595 0.437,596 0.5,597 1,598 0.584,599 75.995,600 -0.288,601 -0.061,602 -0.006,603 0.113,604 -0.374,605 0.107,606 0.469,607 0.097,608 0.129,609 -0.079,610 0.321,611 -0.044,612 -0.067,613 -0.018,614 -0.151,615 -0.11,616 -0.145,617 -0.14,618 0.283,619 -0.101,620 0.029,621 -0.196,622 0.344,623 -0.141,624 -0.304,625 0.073,626 -0.185,627 0.05,628 -0.28,629 -0.029,630 -0.26,631 0.022,632 -0.101,633 0.068,634 -0.167,635 0.022,636 -0.112,637 -0.067,638 0.076,639 0.085,640 0.019,641 0.11,642 -0.191,643 -0.253,644 -0.116,645 -0.165,646 -0.06,647 -0.133,648 1.53,649 1.761,650 0.833,651 11.778,652 1.009,653 1.141,654 2.493,655 6.216,656 0.677,657 3.045,658 3.367,659 3.611,660 3.912,661 4.078,662 4.111,663 4.174,664 4.277,665 4.19,666 4.127,667 4.699,668 0.657,669 240.3,670 3.045,671 4.575,672 5.416,673 6.297,674 7.157,675 8.045,676 8.914,677 9.805,678 10.679,679 11.572,680 20,684 2,688 1,690 3,694 2,695 5,696 3,697 1,700 4,702 16,711 2,718 30,719 16,720 1,721 20,723 32,724 12,725 11,726 1,727 5,729 3,730 4,739 1,741 11,742 1,754 1,757 12,758 5,759 5,760 6,763 1,764 6,769 0.667,776 1,780 1,781 2,784 1,802 2,810 18,811 2,816 1,836 9,837 5.183,838 3.889,839 1.578,840 3.081,841 1.472,842 1.055,843 2.61,844 9.607,845 3.367,846 4.039,847 4.653,848 5.307,849 5.815,850 6.089,851 6.465,852 6.901,853 7.006,854 7.27,855 1,856 25,857 6.568,859 2.785,860 7.778,861 12.364,863 9.998,865 2.278,866 41,867 0.001,870 82.398,871 63.516,872 132.936,877 63.516,878 82.398,879 132.936,881 2.535,882 113.176,883 52.685,884 21.686,885 6.371,886 82.398,888 82.398,889 196.452,893 84.113,897 23.547,898 120.833,899 50.357,901 82.398,902 132.936,903 63.516,906 82.398,907 16.134,908 47.381,909 16.786,910 116.151,911 82.398,912 132.936,913 63.516,915 0.581,916 0.329,917 0.187,918 0.099,919 15,920 6,921 0.063,922 2,923 1,924 1.133,925 3.112,926 130.138,927 0.133,928 15,929 71.059,933 10.989,934 4.274,935 2.158,936 1.14,937 116.151,938 10.035,939 12.301,940 3.123,943 2.418,945 82.58,946 278.85,947 28,956 30.262,957 34.235,958 0.31,959 0.704,960 0.807,961 0.886,962 0.905,963 0.905,964 4.575,965 0.774,966 5.398,967 2.159,968 4.043,969 4.723,970 0.655,971 6.188,972 3.944,973 5.805,974 -0.034,975 6.936,976 2.136,977 3.611,978 4.559,980 6.986,981 3.445,982 7.119,983 -0.33,984 8.57,985 -0.093,986 5.609,987 7.01,988 0.356,989 10.102,990 5.408,991 8.469,992 -0.55,993 10.26,994 -0.881,995 5.969,996 7.68,998 11.744,999 5.694,1000 9.85,1001 -0.903,1002 11.987,1003 -1.323,1004 7.456,1005 9.598,1006 0.18,1007 14.37,1008 7.15,1009 11.255,1010 -1,1011 13.742,1012 -2.211,1013 8.208,1014 10.692,1016 16.397,1017 7.825,1018 12.678,1019 -1.18,1020 15.517,1021 -2.347,1022 9.479,1023 12.378,1024 0.087,1025 18.842,1026 9.058,1027 3.121,1028 -1.457,1029 17.309,1030 -3.48,1031 10.427,1032 13.691,1034 21.044,1035 9.93,1036 2.594,1037 10.319,1038 19.115,1039 -3.909,1040 11.608,1041 15.273,1042 0.041,1043 23.42,1044 11.064,1045 2.255,1046 7.562,1047 20.933,1048 4.542,1049 12.653,1050 16.693,1052 25.696,1053 12.034,1054 2.024,1055 6.317,1056 22.761,1057 3.482,1058 13.799,1059 18.233,1060 0.019,1061 28.046,1062 13.125,1063 1.76,1064 5.848,1065 24.597,1066 3.147,1067 14.89,1068 19.702,1070 30.355,1071 14.143,1072 1.382,1073 5.156,1074 26.44,1075 2.779,1076 16.024,1077 21.225,1078 0.009,1079 32.694,1080 15.218,1081 1,1082 3.015,1083 28.289,1084 2.424,1085 17.137,1086 22.718,1088 35.017,1089 16.26,1090 2804,1091 4786,1092 13.523,1093 20.318,1094 30.237,1095 29.916,1096 30.366,1097 29.843,1098 29.818,1099 41.861,1100 1.36,1101 85.021,1102 28.331,1103 5.34,1104 5.197,1105 6.336,1106 5.134,1107 5.121,1108 7.542,1109 1.36,1110 17.238,1111 4.933,1112 7.031,1113 1.512,1114 1.496,1115 1.518,1116 1.492,1117 1.491,1118 2.093,1119 0.068,1120 4.251,1121 1.417,1122 4.095,1123 4.15,1124 4.072,1125 3.931,1126 5.344,1127 3.955,1128 3.877,1129 3.912,1130 3.809,1131 3.79,1132 4.987,1133 3.798,1134 3.43,1135 3.513,1136 3.363,1137 3.206,1138 4.862,1139 3.23,1140 3.103,1141 3.217,1142 2.977,1143 2.86,1144 4.724,1145 2.878,1146 2.994,1147 3.085,1148 2.867,1149 2.735,1150 4.136,1151 2.748,1152 2.854,1153 2.925,1154 2.687,1155 2.709,1156 3.806,1157 2.715,1158 2.594,1159 2.72,1160 2.435,1161 2.347,1162 3.691,1163 2.348,1164 2.431,1165 2.554,1166 2.209,1167 2.047,1168 3.674,1169 2.075,1170 0.229,1171 0.16,1172 0.327,1173 0.203,1174 0.156,1175 4.579,1176 0.227,1177 3.197,1178 0.034,1179 6.534,1180 0.516,1181 4.061,1182 0.147,1183 3.121,1184 4.542,1185 0.68,1186 10.319,1187 2.933,1188 1.918,1189 1.888,1190 2.045,1191 2.018,1192 1.175,1193 2.022,1194 1.787,1195 1.739,1196 1.83,1197 1.99,1198 0.856,1199 1.958,1200 1.455,1201 1.393,1202 1.614,1203 1.686,1204 0.731,1205 1.665,1206 1.028,1207 0.934,1208 1.29,1209 1.376,1210 0.218,1211 1.365,1212 0.886,1213 0.821,1214 1.181,1215 1.242,1216 0.132,1217 1.218,1218 0.874,1219 0.795,1220 1.131,1221 1.102,1223 1.11,1224 0.797,1225 0.676,1226 1.067,1227 1.062,1229 1.107,1230 0.391,1231 0.261,1232 0.835,1233 0.71,1235 0.762,1236 3.714,1238 5.03,1239 2.398,1240 6.535,1241 4.727,1242 8.129,1243 6.843,1244 9.771,1250 11.292,1252 0.691,1262 19.709,1263 45.658,1264 103.623,1265 118.842,1266 130.452,1267 133.207,1268 133.207,1269 18.937,1270 6.526,1271 106.5,1272 106.5,1273 17,1274 12.103,1275 4.087,1276 3.17,1277 25.799,1278 51,1279 46,1280 0.259,1281 123.972,1282 193.9,1283 294.252,1284 5093,1286 12.535,1287 0.696,1288 0.533,1289 12.535,1290 9.59,1291 8.72,1292 0.436,1293 0.277,1294 5.456,1295 8.4,1296 5.359,1297 4.456,1298 8.72,1299 5.537,1300 8.055,1301 0.288,1302 0.143,1303 8.055,1304 4.012,1305 6.449,1306 0.179,1307 0.074,1308 6.449,1309 2.66,1310 5.754,1311 0.117,1312 0.038,1313 5.754,1314 1.857,1315 4.322,1316 0.075,1317 0.02,1318 4.322,1319 1.166,1320 0.396,1321 54.532,1322 0.272,1323 18.011,1324 0.734,1325 96,1326 269.893,1327 106.602,1328 271.962,1329 381.56,1330 254,1331 112,1332 296.394,1333 122.269,1334 301.551,1335 439.92,1336 284,1337 5.798}
{0 CHEMBL102418,1 1.647,2 13,3 2.934,4 8.61,5 126.58,6 7.641,7 0.529,8 4.137,9 4.273,10 3.704,11 3.62,12 5.365,13 3.615,14 4.623,15 4.809,16 4.056,17 3.998,18 5.899,19 3.974,20 4.834,21 5.019,22 4.184,23 4.178,24 6.004,25 4.145,26 5.001,27 5.194,28 4.231,29 4.247,30 6.228,31 4.2,32 5.092,33 5.312,34 4.148,35 4.274,36 6.258,37 4.201,38 5.136,39 5.396,40 4.011,41 4.184,42 6.224,43 4.079,44 4.914,45 5.163,46 4.034,47 3.981,48 6.215,49 3.924,50 4.762,51 4.967,52 3.88,53 3.842,54 6.066,55 3.819,56 0.188,57 0.891,58 11.301,59 4.409,60 16.21,61 6.122,62 0.435,63 1.328,64 20.634,65 7.606,66 60.568,67 10.63,68 0.3,69 1.606,70 25.239,71 9.302,72 39.186,73 13.08,74 0.562,75 1.776,76 31.224,77 10.619,78 72.846,79 14.944,80 0.558,81 1.865,82 35.266,83 11.068,84 79.718,85 16.131,86 0.761,87 1.723,88 40.833,89 12.484,90 122.96,91 18.296,92 0.807,93 1.415,94 32.066,95 9.525,96 102.118,97 14.196,98 0.56,99 1.221,100 26.544,101 7.518,102 84.944,103 10.344,104 75,105 48,106 0.268,107 0.624,108 0.775,109 0.849,110 0.856,111 0.856,112 3.502,113 0.88,114 -4.36,115 -4.29,116 -4.05,119 38.6,120 1,121 1,124 2,125 1,139 7,140 4,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 11,169 2,170 7,172 3,173 4,175 2,178 11,180 1,181 1,182 13,187 3,189 7,191 1,192 2,193 16,195 1,196 1,197 1,198 7,200 2,201 4,204 5,205 1,207 11,212 5,215 7,218 4,220 2,221 5,223 1,224 1,226 2,229 8,231 2,233 7,234 10,236 3,237 4,239 1,241 8,243 1,246 8,248 1,249 1,254 6,260 5,262 3,263 3,265 2,268 4,270 1,273 1814,274 21.102,275 21.102,276 21.102,277 21.102,278 21.102,279 18.516,280 27.456,281 12.105,282 21.488,283 16.583,284 16.583,285 16.583,286 16.583,287 16.583,288 12.525,289 34.655,290 5.504,291 17.132,292 4.186,293 1.996,294 1.064,295 0.614,296 0.566,297 0.566,298 4.177,301 1,302 1,303 865,304 4.062,307 356.258,314 2.063,315 40.952,318 1,319 0.83,320 1,321 0.8,323 0.83,324 0.5,325 0.71,326 70.5,327 416,328 4.569,329 3.815,330 6.788,331 4.178,332 3.203,333 4.305,334 2.612,335 11.139,336 3.126,337 4.375,338 3.551,339 6.588,340 3.973,341 3.015,342 4.041,343 1.058,344 10.369,345 2.891,346 4.185,347 3.236,348 6.022,349 3.818,350 2.813,351 3.767,352 0.916,353 8.548,354 2.818,355 3.787,356 3.098,357 5.585,358 3.452,359 2.476,360 3.181,361 0.172,362 7.361,363 2.421,364 3.705,365 2.637,366 5.322,367 3.233,368 2.29,369 3.1,371 6.708,372 2.158,373 3.563,374 2.397,375 5.196,376 3.091,377 2.127,378 2.898,380 6.099,381 2.042,382 3.303,383 2.228,384 5.038,385 2.935,386 1.987,387 2.551,389 5.703,390 1.879,391 3.182,392 2.043,393 4.773,394 2.749,395 1.799,396 2.407,398 5.008,399 1.702,400 2.874,401 1.884,402 4.186,403 2.451,404 1.46,405 1.932,407 3.648,408 1.438,409 2.629,410 1.58,411 4.014,412 2.148,413 1.185,414 1.609,415 3.082,416 1.138,417 2.5,418 1.207,419 3.603,420 2,421 1,422 1.5,423 2.423,424 1,425 2.473,426 1.092,427 3.414,428 2,429 1,430 1.461,431 2.275,432 1,433 1.714,434 1,435 3.324,436 1.524,437 0.542,438 0.613,439 1.034,440 0.532,441 1.481,442 1,443 2.823,444 1.229,445 0.258,446 0.293,448 0.378,449 0.248,450 1.331,451 0.657,452 2.725,453 1.015,454 0.058,455 0.07,457 0.122,458 0.055,459 14.8,460 0.463,461 0.928,462 0.029,463 44.75,464 1.398,465 24,466 0.75,467 20.75,468 0.648,469 25.292,470 0.79,471 35,472 0.614,473 39.247,474 1.226,475 8.988,476 0.281,477 6.255,478 0.195,479 0.223,481 0.392,485 0.637,486 1.299,487 0.787,488 1.027,489 0.661,490 0.938,491 0.536,492 0.91,493 0.703,494 0.86,495 0.393,496 0.813,497 0.789,498 1.225,499 0.86,500 1.115,501 0.654,502 1.012,503 0.983,504 1.224,505 1.029,506 1.176,507 0.976,508 1.128,509 1.079,510 1.159,511 1.196,512 1.194,513 0.967,514 1.2,515 1.042,516 0.915,517 0.996,518 0.979,519 1.185,520 0.99,521 0.71,522 0.821,523 0.777,524 0.903,525 0.794,526 0.866,527 1.688,528 1.121,529 1.154,530 1.064,531 1.75,532 1.027,533 7.5,534 0.186,535 4.222,536 3.063,537 2.28,538 1.472,539 1.012,540 0.682,541 0.455,542 0.312,543 13180,544 40750,545 1.958,546 43.9,547 3,548 15,551 5,552 2,555 1.745,556 1.778,557 3.606,558 2.407,560 1,564 93.864,565 1.647,566 3.837,567 4.768,568 5.219,569 5.267,570 5.267,571 3.102,572 4.453,573 4.967,574 3.8,575 1884.56,576 8.694,577 27497.8,579 1,582 332.475,583 1.561,584 4.895,585 0.221,586 0.007,587 0.088,588 0.057,589 0.042,590 0.031,591 0.025,592 0.016,593 0.013,594 0.011,595 0.509,597 0.88,598 1.133,599 168.455,600 0.061,601 -0.026,602 0.024,603 0.053,604 -0.086,605 0.034,606 0.216,607 0.234,608 0.179,609 0.19,610 0.23,611 0.181,612 -0.05,613 -0.101,614 0.018,615 -0.053,616 0.001,617 -0.008,618 -0.041,619 -0.155,620 -0.106,621 -0.15,622 -0.045,623 -0.148,624 -0.197,625 -0.109,626 -0.256,627 -0.202,628 -0.126,629 -0.226,630 -0.062,631 -0.026,632 0.021,633 0.009,634 -0.141,635 0.023,636 0.333,637 0.116,638 0.241,639 0.058,640 0.233,641 0.116,642 -0.278,643 -0.157,644 -0.133,645 -0.104,646 -0.193,647 -0.094,648 2.427,649 4.86,650 0.563,651 34.648,652 1.011,653 1.138,654 3.128,655 9.785,656 0.654,657 3.555,658 3.892,659 4.159,660 4.407,661 4.605,662 4.673,663 4.796,664 4.852,665 4.905,666 4.934,667 7.421,668 0.632,669 435.54,670 3.555,671 5.106,672 5.958,673 6.845,674 7.716,675 8.606,676 9.483,677 10.375,678 11.257,679 12.15,680 12.3,684 2,686 1,687 1,690 2,691 1,695 7,696 2,700 9,702 18,707 1,711 2,713 1,714 1,718 57,719 21,720 2,721 34,723 59,724 22,725 16,726 5,727 7,728 1,729 3,730 3,734 1,739 1,741 17,742 5,744 3,746 1,748 3,751 1,754 1,757 25,758 9,759 5,760 10,764 7,769 1,770 3,776 1,781 3,802 3,806 3,810 32,811 2,816 2,817 1,821 1,829 5.3,832 1,835 2,836 18,837 11.05,838 7.194,839 3.25,840 3.343,841 1.444,842 0.967,843 7.156,844 10.87,845 3.85,846 4.472,847 5.035,848 5.598,849 6.137,850 6.409,851 6.786,852 7.069,853 7.441,854 7.733,855 0.889,856 54,857 11.799,859 4.981,860 8.036,861 21.785,863 17.225,865 2.536,866 81.167,869 1,870 235.422,871 126.536,872 126.171,874 75.892,877 126.536,878 311.314,879 126.171,880 31.288,881 22.651,882 132.128,883 63.421,884 24.137,885 4.227,886 235.422,887 50.747,888 235.422,889 252.707,890 75.892,893 235.422,894 25.145,895 50.747,897 36.132,898 177.334,899 39.241,901 235.422,902 202.062,903 126.536,906 235.422,907 34.584,908 100.746,909 18.011,910 175.257,911 235.422,912 202.062,913 126.536,915 0.584,916 0.352,917 0.188,918 0.101,919 21,920 12,921 0.119,922 7,924 1,925 4.097,926 287.242,928 18,929 154,933 23.29,934 9.833,935 5.109,937 196.392,938 11.998,939 8.228,943 3.806,945 83.805,946 564.021,947 46,949 -0.427,951 35.425,954 -0.173,956 57.647,957 64.853,958 0.282,959 0.658,960 0.818,961 0.895,962 0.903,963 0.903,964 5.091,965 1.799,966 5.969,967 5.703,968 4.575,969 5.159,970 2.769,971 6.806,972 4.515,973 6.324,974 1.46,975 7.554,976 5.008,977 4.29,978 5.103,979 2.396,980 7.786,981 4.2,982 7.65,983 1.185,984 9.237,985 3.648,986 6.201,987 7.386,988 4.207,989 10.876,990 6.088,991 9.011,992 1,993 10.976,994 3.082,995 6.686,996 8.087,997 4.512,998 12.662,999 6.548,1000 10.399,1001 1,1002 12.75,1003 2.423,1004 8.107,1005 9.888,1006 5.957,1007 15.292,1008 7.948,1009 11.806,1010 0.542,1011 14.549,1012 2.275,1013 8.94,1014 10.941,1015 6.557,1016 17.422,1017 8.757,1018 13.23,1019 0.258,1020 16.367,1021 1.034,1022 10.176,1023 12.545,1024 7.796,1025 19.892,1026 9.972,1027 3.203,1028 0.058,1029 18.199,1030 0.378,1031 11.171,1032 13.777,1033 8.548,1034 22.17,1035 10.941,1036 3.015,1037 11.139,1038 20.044,1039 0.122,1040 12.337,1041 15.291,1042 9.67,1043 24.584,1044 12.085,1045 2.813,1046 10.369,1047 21.897,1048 4.305,1049 13.407,1050 16.616,1051 10.509,1052 26.926,1053 13.128,1054 2.476,1055 8.548,1056 23.759,1057 4.041,1058 14.549,1059 18.088,1060 11.563,1061 29.322,1062 14.246,1063 2.29,1064 7.361,1065 25.627,1066 3.767,1067 15.654,1068 19.465,1069 12.452,1070 31.691,1071 15.324,1072 2.127,1073 6.708,1074 27.501,1075 3.181,1076 16.79,1077 20.917,1078 13.468,1079 34.083,1080 16.435,1081 1.987,1082 6.099,1083 29.38,1084 3.1,1085 17.913,1086 22.322,1087 14.386,1088 36.465,1089 17.531,1090 13127,1091 23240,1092 21.501,1093 37.256,1094 50.794,1095 53.18,1096 54.295,1097 50.475,1098 50.425,1099 67.458,1100 9.519,1101 147.791,1102 48.894,1103 5.409,1104 5.815,1105 6.332,1106 5.248,1107 5.203,1108 7.305,1109 4.612,1110 18.156,1111 5.126,1112 21.402,1113 1.494,1114 1.564,1115 1.597,1116 1.485,1117 1.483,1118 1.984,1119 0.28,1120 4.347,1121 1.438,1122 4.07,1123 4.101,1124 4.038,1125 3.964,1126 7.815,1127 3.974,1128 3.935,1129 3.963,1130 3.883,1131 3.864,1132 7.429,1133 3.864,1134 3.83,1135 3.876,1136 3.802,1137 3.645,1138 6.999,1139 3.671,1140 3.537,1141 3.598,1142 3.47,1143 3.293,1144 5.285,1145 3.314,1146 3.455,1147 3.5,1148 3.388,1149 3.196,1150 4.98,1151 3.191,1152 3.393,1153 3.485,1154 3.204,1155 3.099,1156 4.734,1157 3.124,1158 3.339,1159 3.422,1160 3.196,1161 3.028,1162 4.649,1163 3.11,1164 3.074,1165 3.193,1166 2.935,1167 2.836,1168 4.41,1169 2.836,1170 0.134,1171 0.112,1172 0.2,1173 0.123,1174 0.094,1175 4.569,1176 0.127,1177 3.815,1178 0.077,1179 6.788,1180 0.328,1181 4.178,1182 0.092,1183 3.203,1184 4.305,1185 2.612,1186 11.139,1187 3.126,1188 1.99,1189 1.965,1190 2.071,1191 2.128,1192 1.236,1193 2.102,1194 1.92,1195 1.896,1196 2.017,1197 2.018,1198 1.164,1199 2.019,1200 1.737,1201 1.692,1202 1.879,1203 1.954,1204 1.032,1205 1.915,1206 1.447,1207 1.382,1208 1.705,1209 1.737,1210 0.805,1211 1.717,1212 1.384,1213 1.301,1214 1.655,1215 1.651,1216 0.677,1217 1.659,1218 1.306,1219 1.211,1220 1.593,1221 1.631,1222 0.581,1223 1.615,1224 1.186,1225 1.152,1226 1.352,1227 1.55,1228 0.502,1229 1.517,1230 1.022,1231 0.945,1232 1.285,1233 1.36,1234 0.218,1235 1.345,1236 4.234,1238 5.565,1240 7.093,1242 8.712,1244 10.381,1246 5.24,1250 11.751,1252 0.968,1253 2.572,1257 1.778,1262 36.035,1263 93.864,1264 218.702,1265 271.804,1266 297.455,1267 300.21,1268 300.21,1269 82.053,1270 7.527,1271 155.98,1272 155.98,1273 18,1274 12.679,1275 4.459,1276 3.7,1277 61.265,1278 141,1279 164,1280 0.212,1281 226.969,1282 393.71,1283 545.565,1284 18404,1286 23.413,1287 0.732,1288 0.566,1289 23.413,1290 18.124,1291 15.244,1292 0.448,1293 0.293,1294 9.81,1295 14.542,1296 9.494,1297 7.977,1298 15.244,1299 9.975,1300 13.824,1301 0.288,1302 0.151,1303 13.824,1304 7.235,1305 11.377,1306 0.181,1307 0.081,1308 11.377,1309 5.099,1310 9.427,1311 0.116,1312 0.044,1313 9.427,1314 3.53,1315 7.341,1316 0.074,1317 0.023,1318 7.341,1319 2.304,1320 0.335,1321 96.549,1322 0.216,1323 29.929,1324 0.577,1325 164,1326 530.744,1327 182.243,1328 517.131,1329 693.51,1330 476,1331 193,1332 514.198,1333 210.832,1334 518.714,1335 750.28,1336 484,1337 8.167}
{0 CHEMBL102432,1 1.711,2 9.565,3 0.959,4 0.92,5 88.456,6 7.884,7 0.64,8 3.832,9 3.97,10 3.429,11 3.216,12 5.053,13 3.26,14 4.302,15 4.481,16 3.775,17 3.554,18 5.504,19 3.584,20 4.403,21 4.588,22 3.805,23 3.637,24 5.601,25 3.651,26 4.476,27 4.671,28 3.702,29 3.664,30 5.616,31 3.622,32 4.55,33 4.803,34 3.486,35 3.605,36 5.557,37 3.517,38 4.459,39 4.732,40 3.423,41 3.47,42 5.422,43 3.389,44 4.292,45 4.531,46 3.384,47 3.346,48 5.337,49 3.31,50 4.188,51 4.434,52 3.324,53 3.306,54 5.24,55 3.266,56 0.143,57 0.635,58 8.007,59 2.553,60 13.024,61 3.694,62 0.423,63 0.907,64 15.067,65 4.553,66 30.926,67 6.317,68 0.466,69 0.998,70 16.22,71 4.515,72 31.02,73 6.604,74 0.439,75 1.006,76 17.726,77 5.711,78 33.169,79 8.305,80 0.588,81 0.944,82 21.665,83 5.586,84 45.696,85 8.965,86 0.523,87 0.81,88 20.804,89 5.368,90 39.589,91 8.683,92 0.52,93 0.707,94 17.308,95 4.334,96 37.02,97 6.624,98 0.347,99 0.689,100 14.857,101 3.791,102 26.015,103 6.136,104 21,105 35,106 0.303,107 0.669,108 0.782,109 0.83,110 0.848,111 0.874,112 3.188,113 0.821,114 -2.55,115 -2.57,116 -2.51,119 35,124 2,125 1,139 3,141 3,143 1,144 1,147 1,155 2,157 2,158 2,159 2,166 1,169 1,170 3,172 3,173 5,175 1,178 1,181 2,182 3,184 1,185 3,186 1,187 1,189 1,195 1,196 3,197 3,198 1,200 4,205 1,206 1,207 1,209 1,210 2,212 1,220 1,221 1,224 2,225 1,226 1,228 1,233 1,234 2,237 1,238 1,239 1,240 1,245 1,246 2,251 1,256 1,259 2,260 2,262 1,263 1,265 2,270 2,273 670,274 15.566,275 15.566,276 15.566,277 15.566,278 15.566,279 13.635,280 22.895,281 9.008,282 16.263,283 12.214,284 12.214,285 12.214,286 12.214,287 12.214,288 9.136,289 31.769,290 4.129,291 13.184,292 3.611,293 1.544,294 0.907,295 0.638,296 0.538,297 0.388,298 3.867,301 1,302 1,303 467,304 2.828,306 47.134,307 138.968,310 92.199,314 1.361,315 23.03,318 0.75,319 0.67,320 0.83,321 0.5,323 0.83,324 1,325 0.65,326 51.5,327 220,328 4.578,329 3.195,330 6.532,331 4.057,332 3.118,333 4.541,334 0.86,335 10.311,336 2.926,337 4.267,338 3.133,339 6.173,340 3.858,341 2.903,342 3.911,343 0.86,344 9.172,345 2.766,346 3.742,347 2.69,348 5.333,349 3.304,350 2.382,351 3.192,352 0.657,353 6.857,354 2.195,355 3.543,356 2.592,357 5.22,358 3.154,359 2.235,360 2.855,362 6.488,363 2.044,364 3.424,365 2.19,366 5.029,367 2.963,368 2.041,369 2.781,371 5.859,372 1.876,373 3.195,374 2.026,375 4.888,376 2.757,377 1.831,378 2.438,380 5.384,381 1.691,382 2.904,383 1.825,384 4.385,385 2.501,386 1.56,387 2.045,389 4.225,390 1.465,391 2.2,392 1.25,393 3.654,394 1.715,395 0.807,396 1.084,398 2.18,399 0.73,400 2.001,401 0.919,402 3.242,403 1.663,404 0.772,405 0.922,407 1.609,408 0.683,409 1.736,410 0.889,411 2.994,412 1.463,413 0.564,414 0.645,415 1.124,416 0.505,417 1.442,418 0.749,419 2.705,420 1.174,421 0.318,422 0.349,423 0.434,424 0.27,425 1.118,426 0.052,427 2.621,428 0.655,429 -0.255,430 -0.333,431 -0.634,432 -0.232,433 0.821,434 -0.182,435 2.36,436 0.479,437 -0.438,438 -0.525,439 -0.889,440 -0.396,441 0.752,442 -0.336,443 2.329,444 0.355,445 -0.55,446 -0.658,448 -1.321,449 -0.498,450 0.628,451 -0.419,452 2.158,453 0.219,454 -0.726,455 -0.9,457 -1.944,458 -0.679,459 10.467,460 0.455,461 0.571,462 0.025,463 33,464 1.435,465 16.5,466 0.717,467 16.5,468 0.717,469 14.85,470 0.646,471 25.533,472 0.638,473 23.447,474 1.019,475 6.839,476 0.297,477 4.262,478 0.185,479 0.172,481 0.382,485 1.128,486 1.531,487 0.794,488 1.143,489 1.251,490 0.908,491 1.153,492 1.003,493 0.745,494 0.855,495 0.738,496 0.752,497 1.118,498 1.059,499 1,500 0.997,501 0.963,502 0.97,503 0.886,504 1.268,505 1.101,506 1.382,507 0.802,508 1.32,509 0.936,510 0.978,511 1.168,512 1.082,513 1.082,514 1.154,515 0.805,516 0.852,517 0.903,518 0.939,519 0.736,520 0.942,521 1.265,522 0.832,523 0.971,524 0.787,525 1.027,526 0.829,527 0.962,528 1,529 0.922,530 0.925,531 0.898,532 0.9,533 5.5,534 0.127,535 2.444,536 1.757,537 1.503,538 0.622,539 0.331,540 0.272,541 0.257,542 0.204,543 5586,544 17215,545 2.041,546 42.5,548 11,551 6,555 1.656,556 1.89,557 3.241,558 3.709,560 1,562 1,564 68.436,565 1.711,566 3.778,567 4.415,568 4.684,569 4.784,570 4.934,571 2.616,572 4.002,573 4.499,574 3.381,575 855.325,576 7.738,577 9889.08,578 1,579 1,582 212.877,583 1.478,584 4.443,585 0.22,586 0.009,587 0.07,588 0.05,589 0.05,590 0.027,591 0.015,592 0.012,593 0.012,594 0.011,595 0.477,596 0.17,597 1,598 0.942,599 107.955,600 -0.224,601 -0.247,602 0.017,603 -0.066,604 -0.308,605 0.033,606 -0.024,607 0.106,608 0.175,609 0.168,610 0.153,611 0.192,612 -0.087,613 0.101,614 -0.104,615 -0.019,616 -0.067,617 -0.061,618 0.022,619 -0.176,620 -0.204,621 -0.343,622 0.041,623 -0.343,624 -0.045,625 -0.024,626 -0.191,627 -0.117,628 -0.16,629 -0.171,630 0.098,631 0.025,632 0.116,633 0.029,634 0.1,635 0.072,636 -0.077,637 0.063,638 0.054,639 0.183,640 -0.037,641 0.147,642 -0.071,643 -0.028,644 0.05,645 0.056,646 -0.038,647 0.089,648 1.562,649 1.819,650 0.652,651 17.342,652 1.02,653 1.15,654 1.318,655 1.737,656 0.644,657 3.258,658 3.584,659 3.85,660 4.111,661 4.29,662 4.344,663 4.331,664 4.407,665 4.454,666 4.511,667 5.816,668 0.63,669 315.38,670 3.258,671 4.796,672 5.645,673 6.526,674 7.393,675 8.278,676 9.151,677 10.037,678 10.912,679 11.799,680 17.5,684 2,685 1,688 1,690 3,694 2,695 3,696 3,697 1,700 6,702 16,711 2,712 1,716 2,718 40,719 16,720 1,721 25,723 42,724 14,725 11,726 3,727 3,729 3,730 4,741 11,742 3,753 1,754 1,757 17,758 8,759 6,760 9,763 1,764 7,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,806 2,810 23,811 2,816 1,817 1,818 2,829 5,834 2,836 12.167,837 7.6,838 5.167,839 1.953,840 3.155,841 1.45,842 0.997,843 4.404,844 10.161,845 3.526,846 4.186,847 4.807,848 5.423,849 5.925,850 6.188,851 6.429,852 6.786,853 6.876,854 7.126,855 1,856 35,857 8.386,859 3.468,860 7.841,861 15.615,863 12.151,865 2.341,866 53.833,870 129.482,871 75.959,872 150.947,874 22,877 75.959,878 151.482,879 150.947,880 21.766,881 2.106,882 94.223,883 72.411,884 54.173,885 4.227,886 129.482,888 129.482,889 226.906,890 22,893 129.482,894 22,897 26.978,898 131.561,899 68.367,901 129.482,902 172.947,903 75.959,906 129.482,907 25.764,908 50.195,909 34.796,910 138.151,911 129.482,912 172.947,913 75.959,915 0.579,916 0.347,917 0.189,918 0.101,919 17,920 8,921 0.119,922 5,923 1,924 1.133,925 3.509,926 180.338,927 0.133,928 15,929 104.042,933 15.641,934 6.476,935 3.252,936 0.998,937 156.161,938 5.488,939 12.329,940 3.057,943 3.204,945 100.591,946 378.388,947 33,956 40.785,957 45.983,958 0.321,959 0.71,960 0.83,961 0.88,962 0.899,963 0.927,964 4.754,965 0.807,966 5.638,967 4.225,968 4.263,969 4.871,970 1.573,971 6.447,972 4.12,973 5.984,974 0.772,975 7.198,976 2.18,977 3.892,978 4.808,980 7.322,981 3.698,982 7.309,983 0.564,984 8.851,985 1.609,986 5.861,987 7.166,988 1.27,989 10.395,990 5.597,991 8.671,992 0.318,993 10.556,994 1.124,995 6.275,996 7.907,998 12.067,999 5.953,1000 10.063,1001 -0.255,1002 12.295,1003 0.434,1004 7.726,1005 9.758,1006 1.022,1007 14.661,1008 7.351,1009 11.474,1010 -0.438,1011 14.058,1012 -0.634,1013 8.509,1014 10.885,1016 16.688,1017 8.073,1018 12.903,1019 -0.55,1020 15.838,1021 -0.889,1022 9.755,1023 12.53,1024 0.818,1025 19.109,1026 9.27,1027 3.118,1028 -0.726,1029 17.633,1030 -1.321,1031 10.716,1032 13.85,1034 21.296,1035 10.168,1036 2.903,1037 10.311,1038 19.439,1039 -1.944,1040 11.88,1041 15.408,1042 0.65,1043 23.651,1044 11.281,1045 2.382,1046 9.172,1047 21.255,1048 4.541,1049 12.924,1050 16.823,1052 25.908,1053 12.263,1054 2.235,1055 6.857,1056 23.079,1057 3.911,1058 14.057,1059 18.345,1060 0.511,1061 28.239,1062 13.342,1063 2.041,1064 6.488,1065 24.909,1066 3.192,1067 15.142,1068 19.806,1070 30.529,1071 14.364,1072 1.831,1073 5.859,1074 26.746,1075 2.855,1076 16.264,1077 21.315,1078 0.399,1079 32.851,1080 15.429,1081 1.56,1082 5.384,1083 28.587,1084 2.781,1085 17.368,1086 22.798,1088 35.157,1089 16.47,1090 5496,1091 9774,1092 16.414,1093 25.756,1094 37.022,1095 37.884,1096 38.903,1097 36.976,1098 37.063,1099 49.528,1100 4.755,1101 107.287,1102 34.303,1103 5.422,1104 5.195,1105 6.101,1106 5.13,1107 5.118,1108 7.541,1109 1.72,1110 17.228,1111 4.926,1112 12.253,1113 1.481,1114 1.515,1115 1.556,1116 1.479,1117 1.483,1118 1.981,1119 0.19,1120 4.291,1121 1.372,1122 4.087,1123 4.145,1124 4.066,1125 3.898,1126 5.344,1127 3.933,1128 3.915,1129 3.937,1130 3.871,1131 3.808,1132 4.99,1133 3.822,1134 3.483,1135 3.565,1136 3.409,1137 3.242,1138 4.931,1139 3.272,1140 3.322,1141 3.371,1142 3.183,1143 3.025,1144 4.836,1145 3.051,1146 3.173,1147 3.267,1148 3.016,1149 2.879,1150 4.604,1151 2.898,1152 3.111,1153 3.219,1154 2.963,1155 2.852,1156 4.243,1157 2.848,1158 3.076,1159 3.189,1160 2.878,1161 2.75,1162 4.127,1163 2.789,1164 2.767,1165 2.845,1166 2.597,1167 2.61,1168 3.927,1169 2.599,1170 0.183,1171 0.128,1172 0.261,1173 0.162,1174 0.125,1175 4.578,1176 0.182,1177 3.195,1178 0.034,1179 6.532,1180 0.412,1181 4.057,1182 0.117,1183 3.118,1184 4.541,1185 0.86,1186 10.311,1187 2.926,1188 1.88,1189 1.86,1190 1.974,1191 2.015,1192 1.087,1193 2,1194 1.782,1195 1.733,1196 1.821,1197 1.998,1198 0.868,1199 1.956,1200 1.524,1201 1.455,1202 1.69,1203 1.77,1204 0.803,1205 1.749,1206 1.237,1207 1.178,1208 1.591,1209 1.568,1210 0.586,1211 1.571,1212 1.134,1213 1.04,1214 1.535,1215 1.448,1216 0.557,1217 1.477,1218 1.014,1219 0.921,1220 1.277,1221 1.384,1222 0.212,1223 1.367,1224 0.989,1225 0.892,1226 1.232,1227 1.329,1228 0.097,1229 1.316,1230 0.817,1231 0.727,1232 1.105,1233 1.128,1235 1.116,1236 3.932,1238 5.252,1239 2.398,1240 6.765,1241 4.727,1242 8.369,1243 6.843,1244 10.021,1246 3.212,1250 11.363,1252 0.416,1253 3.231,1254 10.535,1262 25.213,1263 68.436,1264 151.103,1265 176.612,1266 187.367,1267 191.367,1268 197.367,1269 29.947,1270 7.006,1271 136.99,1272 136.99,1273 17,1274 12.332,1275 4.087,1276 3.17,1277 36.916,1278 82,1279 70,1280 0.226,1281 157.944,1282 257.08,1283 377.143,1284 9781,1286 16.397,1287 0.713,1288 0.554,1289 16.397,1290 12.752,1291 11.101,1292 0.444,1293 0.274,1294 6.654,1295 10.405,1296 6.481,1297 5.421,1298 11.101,1299 6.839,1300 9.908,1301 0.283,1302 0.136,1303 9.908,1304 4.768,1305 8.353,1306 0.182,1307 0.072,1308 8.353,1309 3.291,1310 7.038,1311 0.117,1312 0.037,1313 7.038,1314 2.202,1315 5.341,1316 0.074,1317 0.019,1318 5.341,1319 1.375,1320 0.354,1321 71.5,1322 0.247,1323 22.551,1324 0.618,1325 120,1326 399.697,1327 138.08,1328 381.258,1329 525.98,1330 358,1331 141,1332 396.175,1333 159.026,1334 400.242,1335 582.35,1336 373,1337 4.538}
{0 CHEMBL102444,1 1.739,2 10.36,3 0.943,4 0.889,5 94.919,6 7.85,7 0.593,8 3.926,9 4.057,10 3.517,11 3.281,12 5.148,13 3.332,14 4.407,15 4.586,16 3.86,17 3.612,18 5.593,19 3.656,20 4.48,21 4.644,22 3.944,23 3.721,24 5.71,25 3.752,26 4.598,27 4.774,28 3.915,29 3.788,30 5.783,31 3.77,32 4.729,33 4.948,34 3.68,35 3.756,36 5.772,37 3.698,38 4.65,39 4.896,40 3.468,41 3.659,42 5.606,43 3.563,44 4.56,45 4.858,46 3.416,47 3.536,48 5.458,49 3.419,50 4.367,51 4.644,52 3.451,53 3.375,54 5.348,55 3.33,56 0.174,57 0.67,58 8.939,59 2.861,60 13.942,61 4.135,62 0.544,63 0.949,64 17.458,65 4.933,66 36.653,67 6.838,68 0.622,69 1.068,70 17.371,71 4.933,72 34.671,73 7.113,74 0.574,75 1.106,76 19.868,77 6.65,78 36.323,79 9.485,80 0.842,81 1.065,82 26.145,83 6.605,84 58.356,85 9.804,86 0.705,87 0.969,88 24.591,89 6.234,90 48.112,91 9.697,92 0.649,93 0.836,94 24.364,95 6.298,96 47.179,97 10.523,98 0.479,99 0.726,100 19.551,101 4.783,102 34.39,103 8.082,104 35,105 38,106 0.302,107 0.638,108 0.735,109 0.762,110 0.773,111 0.805,112 3.267,113 0.819,114 -2.07,115 -2.12,116 -2.11,119 34.1,124 3,125 1,139 2,141 4,143 1,144 1,147 1,155 2,157 2,158 2,159 2,169 1,170 2,172 3,173 5,175 2,178 1,181 4,182 2,184 1,185 2,186 1,192 1,193 2,195 1,196 4,197 3,200 4,205 1,207 2,209 1,210 3,212 2,224 1,225 1,228 1,233 2,234 2,237 2,238 1,240 1,245 1,246 2,249 1,251 2,256 2,259 2,265 2,270 2,273 832,274 16.936,275 16.936,276 16.936,277 16.936,278 16.936,279 15.005,280 26.188,281 9.735,282 17.795,283 13.136,284 13.136,285 13.136,286 13.136,287 13.136,288 9.956,289 38.087,290 4.357,291 14.269,292 3.721,293 1.786,294 1.228,295 1.075,296 1.012,297 0.824,298 3.945,301 1,302 1,303 546,304 3.082,306 55.025,307 157.158,310 107.228,314 1.466,315 26.96,318 0.75,319 0.67,320 0.83,321 0.7,323 0.67,324 0.5,325 0.59,326 56.5,327 259,328 4.578,329 3.373,330 6.533,331 4.057,332 3.118,333 4.541,334 0.86,335 10.312,336 2.926,337 4.419,338 3.175,339 6.522,340 4.003,341 3.06,342 4.104,343 0.86,344 10.256,345 2.879,346 3.755,347 2.681,348 5.384,349 3.351,350 2.423,351 3.197,352 0.86,353 7.012,354 2.248,355 3.555,356 2.555,357 5.241,358 3.156,359 2.221,360 2.877,361 0.657,362 6.589,363 2.07,364 3.42,365 2.404,366 5.19,367 2.972,368 2.061,369 2.778,371 6.118,372 1.87,373 3.355,374 2.167,375 5.029,376 2.954,377 2.031,378 2.604,380 5.857,381 1.867,382 3.17,383 1.975,384 4.873,385 2.713,386 1.781,387 2.416,389 5.337,390 1.655,391 2.235,392 1.887,393 3.808,394 1.995,395 1.167,396 1.217,398 2.513,399 0.962,400 2.193,401 1.071,402 3.653,403 1.694,404 0.792,405 1.079,407 2.17,408 0.714,409 1.783,410 0.916,411 3.17,412 1.514,413 0.61,414 0.698,415 1.374,416 0.549,417 1.576,418 0.888,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.394,426 0.758,427 2.692,428 1.142,429 0.298,430 0.32,431 0.386,432 0.25,433 1.118,434 0.138,435 2.5,436 0.656,437 -0.253,438 -0.329,439 -0.617,440 -0.23,441 0.838,442 -0.172,443 2.416,444 0.497,445 -0.414,446 -0.495,448 -0.863,449 -0.371,450 0.752,451 -0.336,452 2.36,453 0.355,454 -0.55,455 -0.657,457 -1.322,458 -0.498,459 11.3,460 0.452,461 0.622,462 0.025,463 35,464 1.4,465 17,466 0.68,467 18,468 0.72,469 17.45,470 0.698,471 28.3,472 0.643,473 26.308,474 1.052,475 7.338,476 0.294,477 4.711,478 0.188,479 0.204,481 0.398,485 1.103,486 1.598,487 0.791,488 1.239,489 1.212,490 0.957,491 1.271,492 0.944,493 0.745,494 0.765,495 0.843,496 0.668,497 0.972,498 1.094,499 0.936,500 1.02,501 0.917,502 0.958,503 0.744,504 1.302,505 0.971,506 1.441,507 0.647,508 1.3,509 1.468,510 0.99,511 1.332,512 1.062,513 1.321,514 1.171,515 1.226,516 0.969,517 1.303,518 1.093,519 1.126,520 1.208,521 0.495,522 0.725,523 0.726,524 0.802,525 0.571,526 0.819,527 0.698,528 0.936,529 0.579,530 0.776,531 0.602,532 0.665,533 6,534 0.201,535 2.667,536 2.319,537 1.974,538 0.629,539 0.411,540 0.262,541 0.258,542 0.255,543 6956,544 22053,545 2.015,546 43.2,548 13,551 6,555 1.678,556 1.852,557 3.331,558 3.609,560 1,562 1,564 76.495,565 1.739,566 3.673,567 4.231,568 4.385,569 4.447,570 4.635,571 2.679,572 3.894,573 4.62,574 3.489,575 1046.72,576 7.976,577 12889.1,579 1,582 240.215,583 1.516,584 4.555,585 0.222,586 0.011,587 0.07,588 0.058,589 0.053,590 0.022,591 0.019,592 0.012,593 0.011,594 0.012,595 0.49,596 0.17,597 1,598 1.017,599 121.136,600 -0.206,601 -0.291,602 0.026,603 -0.127,604 -0.28,605 0.006,606 -0.102,607 0.146,608 0.2,609 0.256,610 0.094,611 0.279,612 0.062,613 0.118,614 -0.051,615 -0.005,616 -0.013,617 -0.039,618 0.18,619 -0.172,620 -0.083,621 -0.36,622 0.198,623 -0.305,624 -0.303,625 -0.037,626 -0.341,627 -0.086,628 -0.301,629 -0.215,630 -0.248,631 -0.034,632 -0.316,633 -0.121,634 -0.284,635 -0.225,636 0.256,637 0.099,638 0.302,639 0.179,640 0.234,641 0.241,642 0.154,643 -0.088,644 0.448,645 0.206,646 0.257,647 0.377,648 1.571,649 1.831,650 0.6,651 20.691,652 1.023,653 1.15,654 0.843,655 0.711,656 0.636,657 3.332,658 3.664,659 3.951,660 4.234,661 4.394,662 4.419,663 4.431,664 4.511,665 4.522,666 4.625,667 6.231,668 0.624,669 345.41,670 3.332,671 4.875,672 5.733,673 6.624,674 7.498,675 8.391,676 9.27,677 10.162,678 11.043,679 11.935,680 15.9,684 2,685 1,688 1,690 3,694 2,695 2,696 3,697 1,700 7,702 16,711 2,712 1,716 3,718 44,719 16,720 1,721 27,723 46,724 15,725 11,726 4,727 2,729 3,730 4,741 11,742 4,753 1,754 1,757 19,758 9,759 6,760 10,763 1,764 7,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,806 3,810 25,811 2,816 1,817 1,818 3,829 6.8,834 3,836 13.5,837 8.683,838 5.694,839 2.113,840 3.112,841 1.434,842 0.978,843 5.123,844 10.282,845 3.584,846 4.245,847 4.878,848 5.503,849 5.991,850 6.26,851 6.502,852 6.838,853 6.917,854 7.221,855 0.857,856 40,857 9.12,859 3.751,860 7.86,861 16.924,863 13.043,865 2.36,866 59,870 153.024,871 82.609,872 150.947,874 33,877 82.609,878 186.024,879 150.947,880 32.649,881 2.106,882 84.747,883 72.411,884 70.416,885 4.227,886 153.024,888 153.024,889 233.556,890 33,893 153.024,894 33,897 26.978,898 138.211,899 68.367,901 153.024,902 183.947,903 82.609,906 153.024,907 31.007,908 51.602,909 34.796,910 149.151,911 153.024,912 183.947,913 82.609,915 0.576,916 0.357,917 0.205,918 0.107,919 18,920 9,921 0.13,922 6,923 1,924 1.133,925 3.632,926 203.229,927 0.133,928 15,929 108.096,933 17.535,934 7.305,935 3.556,936 0.975,937 167.161,938 3.603,939 12.343,940 3.055,943 3.367,945 100.591,946 419.58,947 35,956 44.996,957 50.608,958 0.318,959 0.673,960 0.775,961 0.803,962 0.815,963 0.849,964 4.82,965 1.167,966 5.733,967 5.337,968 4.344,969 4.931,970 1.841,971 6.567,972 4.191,973 6.054,974 0.792,975 7.309,976 2.513,977 4.007,978 4.913,980 7.496,981 3.81,982 7.388,983 0.61,984 8.978,985 2.17,986 5.964,987 7.237,988 1.538,989 10.586,990 5.686,991 8.759,992 0.396,993 10.7,994 1.374,995 6.415,996 8.014,998 12.312,999 6.083,1000 10.158,1001 0.298,1002 12.457,1003 0.603,1004 7.857,1005 9.843,1006 1.278,1007 14.927,1008 7.464,1009 11.579,1010 -0.253,1011 14.238,1012 0.386,1013 8.675,1014 10.995,1016 16.999,1017 8.219,1018 13.016,1019 -0.414,1020 16.037,1021 -0.617,1022 9.92,1023 12.627,1024 1.053,1025 19.444,1026 9.409,1027 3.118,1028 -0.55,1029 17.85,1030 -0.863,1031 10.909,1032 13.961,1034 21.666,1035 10.334,1036 3.06,1037 10.312,1038 19.674,1039 -1.322,1040 12.078,1041 15.512,1042 0.858,1043 24.044,1044 11.448,1045 2.423,1046 10.256,1047 21.508,1048 4.541,1049 13.145,1050 16.932,1052 26.329,1053 12.45,1054 2.221,1055 7.012,1056 23.35,1057 4.104,1058 14.286,1059 18.449,1060 0.691,1061 28.679,1062 13.534,1063 2.061,1064 6.589,1065 25.198,1066 3.197,1067 15.387,1068 19.91,1070 30.991,1071 14.571,1072 2.031,1073 6.118,1074 27.052,1075 2.877,1076 16.519,1077 21.415,1078 0.549,1079 33.33,1080 15.644,1081 1.781,1082 5.857,1083 28.909,1084 2.778,1085 17.635,1086 22.896,1088 35.652,1089 16.696,1090 6875,1091 12369,1092 17.512,1093 27.972,1094 39.753,1095 41.089,1096 42.6,1097 39.775,1098 39.917,1099 52.568,1100 6.475,1101 117.048,1102 36.669,1103 5.416,1104 5.373,1105 6.076,1106 5.131,1107 5.118,1108 7.541,1109 1.72,1110 17.232,1111 4.926,1112 14.502,1113 1.472,1114 1.522,1115 1.578,1116 1.473,1117 1.478,1118 1.947,1119 0.24,1120 4.335,1121 1.358,1122 4.088,1123 4.145,1124 4.067,1125 3.898,1126 5.344,1127 3.934,1128 3.928,1129 3.941,1130 3.894,1131 3.809,1132 4.991,1133 3.829,1134 3.494,1135 3.572,1136 3.42,1137 3.247,1138 4.978,1139 3.28,1140 3.303,1141 3.355,1142 3.153,1143 3.006,1144 4.841,1145 3.026,1146 3.273,1147 3.345,1148 3.144,1149 2.991,1150 4.58,1151 3.019,1152 3.202,1153 3.283,1154 2.981,1155 2.894,1156 4.47,1157 2.894,1158 3.094,1159 3.216,1160 2.967,1161 2.789,1162 4.32,1163 2.814,1164 3.012,1165 3.121,1166 2.804,1167 2.716,1168 4.124,1169 2.738,1170 0.17,1171 0.125,1172 0.242,1173 0.15,1174 0.115,1175 4.578,1176 0.168,1177 3.373,1178 0.032,1179 6.533,1180 0.382,1181 4.057,1182 0.108,1183 3.118,1184 4.541,1185 0.86,1186 10.312,1187 2.926,1188 1.875,1189 1.862,1190 1.956,1191 2.019,1192 1.089,1193 1.997,1194 1.782,1195 1.733,1196 1.821,1197 1.999,1198 0.867,1199 1.955,1200 1.525,1201 1.459,1202 1.69,1203 1.779,1204 0.803,1205 1.754,1206 1.227,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.199,1213 1.127,1214 1.57,1215 1.519,1216 0.573,1217 1.533,1218 1.155,1219 1.067,1220 1.525,1221 1.475,1222 0.558,1223 1.489,1224 1.001,1225 0.899,1226 1.274,1227 1.381,1228 0.132,1229 1.364,1230 0.939,1231 0.832,1232 1.207,1233 1.286,1234 0.09,1235 1.283,1236 4.007,1238 5.333,1239 2.398,1240 6.855,1241 4.727,1242 8.474,1243 6.843,1244 10.145,1246 4.678,1250 11.389,1252 0.397,1253 3.227,1254 15.966,1262 27.455,1263 76.495,1264 161.632,1265 186.176,1266 192.931,1267 195.686,1268 203.95,1269 36.274,1270 7.17,1271 146.22,1272 146.22,1273 17,1274 12.465,1275 4.087,1276 3.17,1277 41.915,1278 96,1279 78,1280 0.219,1281 171.532,1282 283.17,1283 410.299,1284 11841,1286 17.974,1287 0.719,1288 0.563,1289 17.974,1290 14.083,1291 12.05,1292 0.446,1293 0.273,1294 7.142,1295 11.207,1296 6.923,1297 5.81,1298 12.05,1299 7.368,1300 10.639,1301 0.28,1302 0.135,1303 10.639,1304 5.115,1305 9.044,1306 0.177,1307 0.07,1308 9.044,1309 3.562,1310 7.902,1311 0.116,1312 0.036,1313 7.902,1314 2.44,1315 6.04,1316 0.075,1317 0.019,1318 6.04,1319 1.556,1320 0.345,1321 78.308,1322 0.239,1323 24.257,1324 0.594,1325 130,1326 455.432,1327 150.958,1328 427.643,1329 587.05,1330 402,1331 154,1332 437.721,1333 175.679,1334 442.133,1335 644.85,1336 410,1337 4.469}
{0 CHEMBL102447,1 1.674,2 17.907,3 3.504,4 12.279,5 162.823,6 7.612,7 0.4,8 4.443,9 4.566,10 3.994,11 3.894,12 5.656,13 3.897,14 4.959,15 5.129,16 4.337,17 4.253,18 6.245,19 4.232,20 5.202,21 5.403,22 4.444,23 4.402,24 6.367,25 4.378,26 5.272,27 5.445,28 4.498,29 4.453,30 6.567,31 4.434,32 5.383,33 5.585,34 4.478,35 4.498,36 6.674,37 4.457,38 5.398,39 5.628,40 4.462,41 4.492,42 6.622,43 4.427,44 5.365,45 5.594,46 4.479,47 4.418,48 6.712,49 4.372,50 5.288,51 5.502,52 4.279,53 4.3,54 6.554,55 4.265,56 0.265,57 1.141,58 15.629,59 6.507,60 25.875,61 8.627,62 0.794,63 1.694,64 29.723,65 11.027,66 101.568,67 14.992,68 0.913,69 2.029,70 40.321,71 12.696,72 103.064,73 17.976,74 1.024,75 2.163,76 42.014,77 13.239,78 138.775,79 18.087,80 1.395,81 2.288,82 49.4,83 14.255,84 206.488,85 20.26,86 1.348,87 2.259,88 51.535,89 16.012,90 182.394,91 23.237,92 1.407,93 2.116,94 50.331,95 15.147,96 192.794,97 21.943,98 1.278,99 1.861,100 47.404,101 13.094,102 176.344,103 17.968,104 130,105 61,106 0.255,107 0.597,108 0.773,109 0.847,110 0.857,111 0.868,112 3.787,113 0.916,114 -4.41,115 -4.35,116 -4.1,119 37.2,120 3,121 3,125 3,127 1,139 7,140 4,141 2,143 1,144 1,147 1,153 3,157 2,158 2,159 2,160 2,166 12,169 4,170 9,172 3,173 4,175 5,178 11,180 1,182 13,185 3,187 8,189 7,191 1,193 18,195 1,196 3,197 1,198 10,200 2,201 6,204 5,205 1,206 2,207 12,210 2,212 8,215 12,218 4,220 6,221 9,223 1,224 1,226 2,229 13,231 2,233 6,234 16,236 2,237 5,238 2,239 3,240 1,241 12,243 1,246 17,248 1,249 1,251 1,254 9,260 10,262 2,263 2,264 1,265 3,267 1,268 7,270 1,273 4103,274 28.524,275 28.524,276 28.524,277 28.524,278 28.524,279 25.629,280 36.506,281 16.941,282 29.228,283 22.013,284 22.013,285 22.013,286 22.013,287 22.013,288 17.383,289 43.595,290 7.739,291 22.9,292 4.612,293 2.374,294 1.217,295 0.731,296 0.67,297 0.593,298 4.465,303 1581,304 5.431,307 529.431,314 2.666,315 70.53,318 0.25,319 0.33,320 0.33,321 0.7,322 1,323 0.17,325 0.4,326 96.5,327 770,328 4.557,329 3.836,330 6.777,331 4.163,332 3.186,333 4.297,334 2.612,335 11.103,336 3.116,337 4.34,338 3.806,339 6.403,340 3.905,341 2.932,342 4.023,343 2.472,344 9.756,345 2.878,346 4.208,347 3.677,348 6.148,349 3.884,350 2.903,351 3.771,352 2.443,353 9.01,354 2.818,355 3.939,356 3.533,357 5.905,358 3.677,359 2.687,360 3.176,361 1.064,362 8.174,363 2.645,364 3.711,365 3.232,366 5.334,367 3.37,368 2.377,369 3.164,370 0.657,371 6.868,372 2.359,373 3.698,374 2.841,375 5.311,376 3.305,377 2.33,378 2.999,379 0.386,380 6.689,381 2.246,382 3.634,383 2.625,384 5.038,385 3.228,386 2.288,387 2.826,388 0.286,389 6.043,390 2.152,391 3.481,392 2.343,393 5.024,394 2.941,395 1.989,396 2.807,398 5.704,399 1.893,400 3.3,401 2.223,402 4.897,403 2.917,404 1.956,405 2.548,407 5.287,408 1.872,409 3.116,410 2.191,411 4.77,412 2.705,413 1.754,414 2.33,415 4.999,416 1.661,417 2.909,418 1.965,419 4.356,420 2.569,421 1.631,422 1.962,423 4.199,424 1.518,425 2.611,426 1.851,427 3.936,428 2.288,429 1.3,430 1.597,431 3.17,432 1.268,433 2.585,434 1.818,435 3.628,436 2.014,437 1.089,438 1.537,439 2.425,440 1,441 2.5,442 1.796,443 3.414,444 2,445 1,446 1.5,448 2.275,449 1,450 2.147,451 1.388,452 3.382,453 2,454 1,455 1.122,457 1.934,458 0.993,459 19.633,460 0.457,461 1.103,462 0.026,463 54.5,464 1.267,465 27,466 0.628,467 27.5,468 0.64,469 40.904,470 0.951,471 48.767,472 0.625,473 53.529,474 1.245,475 10.85,476 0.252,477 9.72,478 0.226,479 0.202,481 0.351,485 0.692,486 1.328,487 0.787,488 1.149,489 0.633,490 1.003,491 0.611,492 1.117,493 0.768,494 1.076,495 0.452,496 0.982,497 0.997,498 1.074,499 0.881,500 0.938,501 0.807,502 0.887,503 1.226,504 1.259,505 1.122,506 1.171,507 1.251,508 1.131,509 1.184,510 1.069,511 1.163,512 1.035,513 1.26,514 1.075,515 0.769,516 0.999,517 0.892,518 1.026,519 0.875,520 0.992,521 0.77,522 0.927,523 0.823,524 1,525 0.819,526 0.94,527 1.524,528 0.914,529 1.166,530 0.945,531 1.56,532 0.969,533 9.5,534 0.264,535 5.333,536 3.313,537 2.56,538 1.937,539 1.34,540 0.816,541 0.628,542 0.378,543 32631,544 105211,545 1.942,546 44.9,547 3,548 14,551 6,552 4,553 8,555 1.814,556 1.779,557 4.045,558 2.94,564 130.552,565 1.674,566 3.911,567 5.068,568 5.554,569 5.615,570 5.692,571 3.484,572 5.147,573 5.398,574 4.287,575 3871.58,576 9.532,577 75912.4,582 490.261,583 1.537,584 5.33,585 0.211,586 0.006,587 0.087,588 0.049,589 0.037,590 0.029,591 0.021,592 0.013,593 0.012,594 0.008,595 0.473,597 0.63,598 1.977,599 253.5,600 0.004,601 -0.018,602 0.022,603 0.007,604 -0.066,605 0.02,606 0.215,607 0.02,608 0.126,609 0.017,610 0.191,611 0.039,612 -0.085,613 -0.003,614 0.063,615 0.088,616 -0.047,617 0.107,618 -0.176,619 -0.157,620 -0.18,621 -0.145,622 -0.138,623 -0.165,624 -0.135,625 -0.02,626 -0.19,627 -0.051,628 -0.121,629 -0.115,630 0.115,631 -0.017,632 0.082,633 -0.017,634 0.038,635 0.021,636 0.202,637 0.041,638 0.171,639 -0.016,640 0.19,641 0.054,642 -0.281,643 0.023,644 -0.134,645 0.017,646 -0.21,647 -0.014,648 2.499,649 5.831,650 0.419,651 63.08,652 1.018,653 1.138,654 3.184,655 10.139,656 0.639,657 3.829,658 4.127,659 4.357,660 4.575,661 4.762,662 4.844,663 4.934,664 4.977,665 5.081,666 5.112,667 10.369,668 0.622,669 593.71,670 3.829,671 5.361,672 6.192,673 7.059,674 7.911,675 8.784,676 9.645,677 10.522,678 11.388,679 12.267,680 9,684 2,685 1,687 1,690 2,691 1,695 7,696 2,700 9,702 18,707 1,711 2,712 1,713 1,718 78,719 23,720 2,721 45,723 80,724 29,725 16,726 5,727 7,728 1,729 3,730 3,734 3,739 4,741 19,742 10,744 5,746 1,748 5,751 3,757 35,758 13,759 6,760 14,764 7,769 1,770 7,776 1,781 3,793 2,802 3,806 3,810 43,811 2,816 6,817 2,818 2,820 1,829 9,832 3,834 2,835 2,836 24.167,837 14.6,838 9.861,839 4.879,840 3.462,841 1.426,842 0.933,843 12.378,844 11.595,845 4.094,846 4.649,847 5.146,848 5.663,849 6.173,850 6.443,851 6.794,852 7.068,853 7.474,854 7.758,855 0.917,856 68,857 16.007,859 6.786,860 8.136,861 29.217,863 22.825,865 2.636,866 113.333,870 341.362,871 156.03,872 141.057,874 148.181,877 156.03,878 489.543,879 141.057,880 32.146,881 36.905,882 132.128,883 146.104,884 43.012,885 4.227,886 341.362,887 50.747,888 341.362,889 297.087,890 148.181,893 247.193,894 191.603,895 50.747,897 68.036,898 171.799,899 57.252,901 341.362,902 289.238,903 156.03,906 341.362,907 63.221,908 98.479,909 36.022,910 247.547,911 341.362,912 289.238,913 156.03,915 0.571,916 0.333,917 0.178,918 0.094,919 23,920 14,921 0.2,922 16,924 1,925 5.051,926 408.355,928 18,929 227.329,933 33.399,934 15.936,935 9.189,937 283.568,938 11.161,939 8.203,943 2.858,945 101.816,946 786.631,947 59,949 -0.499,951 60.7,954 -1.65,956 79.374,957 88.767,958 0.266,959 0.622,960 0.806,961 0.884,962 0.893,963 0.906,964 5.325,965 1.989,966 6.18,967 6.043,968 4.812,969 5.338,970 3.582,971 6.976,972 4.748,973 6.529,974 1.956,975 7.738,976 5.704,977 4.443,978 5.239,979 3.312,980 7.886,981 4.372,982 7.837,983 1.754,984 9.396,985 5.287,986 6.395,987 7.495,988 5.078,989 10.958,990 6.28,991 9.178,992 1.631,993 11.111,994 4.999,995 6.815,996 8.171,997 5.461,998 12.689,999 6.696,1000 10.549,1001 1.3,1002 12.864,1003 4.199,1004 8.254,1005 9.948,1006 6.785,1007 15.294,1008 8.1,1009 11.94,1010 1.089,1011 14.642,1012 3.17,1013 9.036,1014 10.982,1015 7.431,1016 17.383,1017 8.874,1018 13.347,1019 1,1020 16.44,1021 2.425,1022 10.274,1023 12.571,1024 8.568,1025 19.829,1026 10.083,1027 3.186,1028 1,1029 18.253,1030 2.275,1031 11.231,1032 13.789,1033 9.342,1034 22.079,1035 11.026,1036 2.932,1037 11.103,1038 20.078,1039 1.934,1040 12.389,1041 15.293,1042 10.387,1043 24.473,1044 12.16,1045 2.903,1046 9.756,1047 21.914,1048 4.297,1049 13.431,1050 16.609,1051 11.229,1052 26.795,1053 13.183,1054 2.687,1055 9.01,1056 23.759,1057 4.023,1058 14.562,1059 18.075,1060 12.225,1061 29.176,1062 14.291,1063 2.377,1064 8.174,1065 25.611,1066 3.771,1067 15.645,1068 19.445,1069 13.107,1070 31.532,1071 15.354,1072 2.33,1073 6.868,1074 27.469,1075 3.176,1076 16.768,1077 20.893,1078 14.076,1079 33.914,1080 16.455,1081 2.288,1082 6.689,1083 29.333,1084 3.164,1085 17.874,1086 22.293,1087 14.98,1088 36.288,1089 17.539,1090 32533,1091 58600,1092 28.55,1093 49.881,1094 66.244,1095 69.851,1096 69.664,1097 65.826,1098 65.798,1099 84.979,1100 19.842,1101 185.013,1102 63.639,1103 5.495,1104 5.836,1105 6.551,1106 5.233,1107 5.186,1108 7.297,1109 4.612,1110 17.995,1111 5.116,1112 29.947,1113 1.472,1114 1.552,1115 1.548,1116 1.463,1117 1.462,1118 1.888,1119 0.441,1120 4.111,1121 1.414,1122 4.068,1123 4.099,1124 4.034,1125 3.962,1126 7.815,1127 3.971,1128 3.942,1129 3.969,1130 3.891,1131 3.866,1132 7.437,1133 3.867,1134 3.831,1135 3.878,1136 3.802,1137 3.643,1138 7.43,1139 3.668,1140 3.778,1141 3.81,1142 3.695,1143 3.601,1144 7.425,1145 3.616,1146 3.586,1147 3.617,1148 3.494,1149 3.331,1150 6.999,1151 3.356,1152 3.48,1153 3.54,1154 3.435,1155 3.257,1156 5.285,1157 3.254,1158 3.458,1159 3.503,1160 3.327,1161 3.206,1162 4.98,1163 3.197,1164 3.393,1165 3.483,1166 3.208,1167 3.18,1168 4.747,1169 3.185,1170 0.101,1171 0.085,1172 0.151,1173 0.093,1174 0.071,1175 4.557,1176 0.095,1177 3.836,1178 0.058,1179 6.777,1180 0.247,1181 4.163,1182 0.069,1183 3.186,1184 4.297,1185 2.612,1186 11.103,1187 3.116,1188 1.986,1189 1.961,1190 2.066,1191 2.124,1192 1.233,1193 2.097,1194 1.922,1195 1.898,1196 2.019,1197 2.024,1198 1.214,1199 2.023,1200 1.734,1201 1.691,1202 1.912,1203 1.957,1204 1.156,1205 1.924,1206 1.712,1207 1.674,1208 1.872,1209 1.915,1210 1.022,1211 1.9,1212 1.507,1213 1.457,1214 1.808,1215 1.779,1216 0.941,1217 1.779,1218 1.451,1219 1.375,1220 1.781,1221 1.696,1222 0.933,1223 1.724,1224 1.389,1225 1.307,1226 1.633,1227 1.654,1228 0.72,1229 1.659,1230 1.326,1231 1.272,1232 1.524,1233 1.629,1234 0.6,1235 1.574,1236 4.511,1238 5.814,1240 7.306,1242 8.889,1244 10.524,1246 5.19,1250 11.772,1252 1.03,1253 5.67,1254 9.921,1256 -1.023,1262 48.529,1263 130.552,1264 305.076,1265 395.326,1266 433.242,1267 437.997,1268 443.997,1269 165.381,1270 8.133,1271 217.37,1272 217.37,1273 18,1274 12.807,1275 4.585,1276 3.907,1277 98.776,1278 275,1279 268,1280 0.174,1281 304.246,1282 544.69,1283 734.12,1284 44058,1286 31.518,1287 0.733,1288 0.563,1289 31.518,1290 24.216,1291 20.569,1292 0.457,1293 0.305,1294 13.499,1295 19.491,1296 13.192,1297 10.973,1298 20.569,1299 13.739,1300 18.109,1301 0.297,1302 0.153,1303 18.109,1304 9.304,1305 14.371,1306 0.187,1307 0.083,1308 14.371,1309 6.365,1310 11.769,1311 0.123,1312 0.045,1313 11.769,1314 4.304,1315 8.889,1316 0.077,1317 0.024,1318 8.889,1319 2.812,1320 0.285,1321 131.119,1322 0.187,1323 38.808,1324 0.447,1325 212,1326 768.374,1327 242.284,1328 723.309,1329 953.13,1330 668,1331 244,1332 683.169,1333 271.245,1334 675.633,1335 980.47,1336 635,1337 8.174}
{0 CHEMBL102518,1 1.732,2 8.571,3 1.085,4 1.178,5 78.786,6 8.181,7 0.696,8 3.71,9 3.837,10 3.341,11 3.122,12 4.965,13 3.17,14 4.168,15 4.332,16 3.703,17 3.463,18 5.41,19 3.503,20 4.238,21 4.39,22 3.758,23 3.543,24 5.508,25 3.576,26 4.321,27 4.493,28 3.674,29 3.566,30 5.55,31 3.555,32 4.413,33 4.644,34 3.414,35 3.508,36 5.489,37 3.44,38 4.239,39 4.492,40 3.296,41 3.345,42 5.24,43 3.264,44 4.062,45 4.312,46 3.195,47 3.125,48 5.162,49 3.098,50 3.918,51 4.154,52 3.022,53 2.964,54 5.077,55 2.92,56 0.136,57 0.565,58 6.455,59 2.344,60 12.397,61 3.032,62 0.396,63 0.814,64 12.475,65 4.22,66 28.948,67 5.303,68 0.403,69 0.902,70 12.173,71 3.959,72 25.978,73 5.232,74 0.366,75 0.918,76 13.699,77 4.885,78 28.49,79 6.437,80 0.582,81 0.856,82 18.312,83 5.033,84 44.436,85 7.22,86 0.363,87 0.713,88 15.875,89 4.907,90 26.924,91 7.519,92 0.343,93 0.603,94 13.168,95 3.201,96 27.646,97 5.073,98 0.344,99 0.501,100 10.982,101 2.822,102 27.541,103 4.385,104 21,105 33,106 0.315,107 0.677,108 0.756,109 0.812,110 0.822,111 0.832,112 3.104,113 0.8,114 -3.02,115 -3.02,116 -2.91,119 37.1,124 2,139 3,140 1,141 2,143 1,144 1,147 1,155 2,157 2,158 2,159 2,166 3,169 1,170 3,172 3,173 5,175 1,178 2,181 3,182 6,184 1,185 1,187 2,189 1,193 4,195 1,196 2,197 3,198 1,200 4,205 1,206 1,207 3,209 1,210 2,212 1,218 1,220 1,221 3,224 1,226 3,231 3,233 1,234 1,239 3,243 3,245 2,248 1,249 1,251 1,256 1,259 1,262 2,263 2,273 516,274 14.204,275 14.204,276 14.204,277 14.204,278 14.204,279 12.336,280 13.557,281 8.106,282 14.831,283 11.219,284 11.219,285 11.219,286 11.219,287 11.219,288 8.245,289 15.44,290 3.673,291 12.076,292 3.398,293 1.411,294 0.979,295 0.672,296 0.615,297 0.557,298 3.78,301 1,302 1,303 382,304 2.449,306 40.732,307 117.743,310 80.233,314 1.306,315 21.527,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47,327 180,328 4.608,329 3.235,330 6.578,331 4.108,332 3.163,333 4.565,334 0.86,335 10.49,336 2.99,337 4.284,338 3.131,339 6.228,340 3.855,341 2.904,342 3.949,343 0.86,344 9.318,345 2.76,346 3.869,347 2.641,348 5.923,349 3.469,350 2.531,351 3.324,353 8.255,354 2.369,355 3.482,356 2.215,357 5.062,358 3.016,359 2.096,360 2.848,362 5.94,363 1.922,364 3.364,365 2.173,366 5.016,367 2.865,368 1.941,369 2.722,371 5.777,372 1.79,373 2.919,374 2.012,375 4.422,376 2.521,377 1.611,378 2.058,380 4.202,381 1.461,382 2.741,383 1.371,384 4.228,385 2.221,386 1.282,387 1.849,389 3.662,390 1.199,391 2.189,392 0.984,393 3.65,394 1.673,395 0.77,396 1.064,398 2.139,399 0.695,400 1.872,401 0.931,402 3.041,403 1.541,404 0.646,405 0.772,407 1.18,408 0.573,409 1.454,410 0.819,411 2.74,412 1.184,413 0.336,414 0.366,415 0.446,416 0.283,417 1.121,418 -0.011,419 2.612,420 0.644,421 -0.265,422 -0.354,423 -0.669,424 -0.241,425 0.811,426 -0.207,427 2.427,428 0.436,429 -0.486,430 -0.591,431 -0.958,432 -0.439,433 0.752,434 -0.341,435 2.36,436 0.355,437 -0.551,438 -0.659,439 -1.323,440 -0.498,441 0.583,442 -0.585,443 2.163,444 0.139,445 -0.82,446 -1.067,448 -2.208,449 -0.774,450 0.18,451 -1.008,452 1.664,453 -0.216,454 -1.147,455 -1.5,457 -3.415,458 -1.061,459 9.567,460 0.456,461 0.554,462 0.026,463 31,464 1.476,465 16,466 0.762,467 15,468 0.714,469 12.736,470 0.606,471 22.833,472 0.652,473 21.64,474 1.03,475 6.381,476 0.304,477 3.736,478 0.178,479 0.188,481 0.418,485 1.103,486 1.429,487 0.757,488 1.086,489 1.273,490 0.857,491 1.136,492 0.85,493 0.675,494 0.745,495 0.734,496 0.653,497 1.02,498 1.225,499 0.894,500 1.046,501 0.878,502 0.948,503 0.978,504 1.212,505 1.067,506 1.323,507 0.813,508 1.245,509 1.198,510 0.86,511 1.266,512 0.962,513 1.23,514 1.109,515 0.582,516 1.06,517 0.809,518 1.094,519 0.565,520 1.026,521 1.009,522 1.023,523 0.936,524 0.902,525 1.019,526 0.881,527 0.871,528 1.005,529 1.079,530 1.093,531 1.055,532 1.114,533 5,534 0.037,535 2.667,536 1.632,537 1.588,538 0.712,539 0.354,540 0.319,541 0.228,542 0.125,543 4040,544 12843,545 2.045,546 40,548 9,551 5,555 1.633,556 1.881,557 3.103,558 2.892,560 1,562 1,564 60.606,565 1.732,566 3.718,567 4.15,568 4.458,569 4.515,570 4.572,571 2.506,572 4.107,573 4.364,574 3.198,575 671.568,576 7.482,577 6958.37,578 1,579 1,582 179.525,583 1.51,584 4.305,585 0.217,586 0.007,587 0.081,588 0.048,589 0.053,590 0.032,591 0.018,592 0.018,593 0.016,594 0.013,595 0.503,596 0.5,597 1,598 0.988,599 93.754,600 -0.223,601 -0.196,602 0.014,603 -0.048,604 -0.351,605 0.043,606 -0.008,607 0.234,608 0.224,609 0.268,610 0.147,611 0.275,612 -0.015,613 -0.059,614 -0.056,615 -0.06,616 -0.012,617 -0.063,618 -0.053,619 -0.109,620 -0.206,621 -0.315,622 0.04,623 -0.312,624 -0.175,625 0.085,626 -0.28,627 0.001,628 -0.253,629 -0.141,630 0.182,631 -0.176,632 0.196,633 -0.059,634 0.195,635 0.049,636 -0.078,637 -0.096,638 0.079,639 0.029,640 -0.04,641 0.096,642 0.117,643 -0.062,644 -0.079,645 -0.166,646 0.018,647 -0.158,648 1.567,649 1.792,650 0.714,651 15.034,652 1.023,653 1.145,654 1.794,655 3.217,656 0.657,657 3.178,658 3.526,659 3.829,660 4.111,661 4.317,662 4.443,663 4.511,664 4.635,665 4.7,666 4.663,667 5.08,668 0.648,669 286.33,670 3.178,671 4.727,672 5.595,673 6.491,674 7.376,675 8.277,676 9.168,677 10.071,678 10.966,679 11.87,680 17.1,684 2,688 1,690 3,694 2,695 3,696 3,697 1,700 6,702 16,711 2,716 2,718 35,719 16,720 1,721 23,723 37,724 13,725 11,726 3,727 3,729 3,730 4,741 11,742 2,753 1,754 1,757 14,758 7,759 5,760 8,763 1,764 6,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,806 2,810 21,811 2,818 2,829 5.7,834 2,836 11.167,837 6.85,838 4.694,839 1.703,840 3.174,841 1.46,842 1.006,843 3.467,844 10.07,845 3.466,846 4.155,847 4.823,848 5.475,849 6.04,850 6.459,851 6.876,852 7.349,853 7.681,854 7.978,855 0.833,856 34,857 7.647,859 3.199,860 7.873,861 14.166,863 11.113,865 2.373,866 49.833,870 105.94,871 74.282,872 132.936,874 22,877 74.282,878 127.94,879 132.936,880 21.766,882 94.223,883 54.4,884 54.602,885 4.227,886 105.94,888 105.94,889 207.218,890 22,893 105.94,894 22,897 24.872,898 131.99,899 50.357,901 105.94,902 154.936,903 74.282,906 105.94,907 24.087,908 50.195,909 16.786,910 138.151,911 105.94,912 154.936,913 74.282,915 0.583,916 0.358,917 0.198,918 0.104,919 17,920 8,921 0.081,922 3,923 1,924 1.133,925 3.253,926 164.919,927 0.133,928 15,929 92.239,933 13.761,934 5.291,935 2.423,936 0.971,937 138.151,938 5.459,939 12.356,940 3.064,943 2.985,945 82.58,946 335.158,947 31,956 35.8,957 40.069,958 0.338,959 0.725,960 0.809,961 0.869,962 0.88,963 0.891,964 4.7,965 0.77,966 5.602,967 3.662,968 4.205,969 4.84,970 1.376,971 6.447,972 4.07,973 5.948,974 0.646,975 7.186,976 2.139,977 3.892,978 4.808,980 7.391,981 3.712,982 7.286,983 0.336,984 8.864,985 1.18,986 5.838,987 7.169,988 1.159,989 10.481,990 5.593,991 8.663,992 -0.265,993 10.595,994 0.446,995 6.312,996 7.939,998 12.206,999 6.016,1000 10.067,1001 -0.486,1002 12.358,1003 -0.669,1004 7.751,1005 9.791,1006 0.963,1007 14.813,1008 7.405,1009 11.493,1010 -0.551,1011 14.144,1012 -0.958,1013 8.579,1014 10.938,1016 16.868,1017 8.177,1018 12.935,1019 -0.82,1020 15.945,1021 -1.323,1022 9.823,1023 12.583,1024 0.787,1025 19.3,1026 9.375,1027 3.163,1028 -1.147,1029 17.758,1030 -2.208,1031 10.815,1032 13.915,1034 21.502,1035 10.308,1036 2.904,1037 10.49,1038 19.581,1039 -3.415,1040 11.983,1041 15.474,1042 0.634,1043 23.867,1044 11.429,1045 2.531,1046 9.318,1047 21.41,1048 4.565,1049 13.05,1050 16.897,1052 26.136,1053 12.437,1054 2.096,1055 8.255,1056 23.246,1057 3.949,1058 14.191,1059 18.421,1060 0.504,1061 28.477,1062 13.528,1063 1.941,1064 5.94,1065 25.087,1066 3.324,1067 15.292,1068 19.887,1070 30.779,1071 14.571,1072 1.611,1073 5.777,1074 26.932,1075 2.848,1076 16.425,1077 21.4,1078 0.395,1079 33.114,1080 15.652,1081 1.282,1082 4.202,1083 28.78,1084 2.722,1085 17.543,1086 22.888,1088 35.433,1089 16.713,1090 4023,1091 7284,1092 15.027,1093 22.989,1094 34.611,1095 35.341,1096 36.644,1097 34.474,1098 34.558,1099 47.033,1100 3.44,1101 102.819,1102 32.08,1103 5.284,1104 5.235,1105 6.131,1106 5.181,1107 5.163,1108 7.565,1109 1.72,1110 17.435,1111 4.99,1112 11.34,1113 1.505,1114 1.537,1115 1.593,1116 1.499,1117 1.503,1118 2.045,1119 0.15,1120 4.47,1121 1.395,1122 4.107,1123 4.157,1124 4.088,1125 3.949,1126 5.347,1127 3.976,1128 3.859,1129 3.88,1130 3.821,1131 3.734,1132 4.995,1133 3.755,1134 3.399,1135 3.475,1136 3.339,1137 3.129,1138 4.95,1139 3.172,1140 3.247,1141 3.314,1142 3.051,1143 2.953,1144 4.805,1145 2.962,1146 3.188,1147 3.27,1148 3.019,1149 2.907,1150 4.496,1151 2.922,1152 3.088,1153 3.212,1154 2.964,1155 2.755,1156 4.284,1157 2.795,1158 2.787,1159 2.861,1160 2.613,1161 2.647,1162 4.065,1163 2.629,1164 2.681,1165 2.753,1166 2.51,1167 2.526,1168 3.805,1169 2.516,1170 0.2,1171 0.141,1172 0.286,1173 0.179,1174 0.138,1175 4.608,1176 0.198,1177 3.235,1178 0.037,1179 6.578,1180 0.456,1181 4.108,1182 0.13,1183 3.163,1184 4.565,1185 0.86,1186 10.49,1187 2.99,1188 1.895,1189 1.878,1190 1.977,1191 2.017,1192 1.092,1193 1.998,1194 1.781,1195 1.733,1196 1.819,1197 1.989,1198 0.819,1199 1.951,1200 1.341,1201 1.289,1202 1.581,1203 1.633,1204 0.586,1205 1.602,1206 1.192,1207 1.115,1208 1.575,1209 1.523,1210 0.574,1211 1.539,1212 1.128,1213 1.038,1214 1.377,1215 1.43,1216 0.373,1217 1.441,1218 0.998,1219 0.897,1220 1.267,1221 1.377,1222 0.15,1223 1.358,1224 0.827,1225 0.746,1226 1.11,1227 1.17,1229 1.152,1230 0.772,1231 0.68,1232 1.043,1233 0.984,1235 1.021,1236 3.85,1238 5.187,1239 2.398,1240 6.725,1241 4.727,1242 8.355,1243 6.862,1244 10.031,1246 3.155,1250 11.362,1254 10.482,1262 22.665,1263 60.606,1264 130.141,1265 145.26,1266 156.015,1267 158.015,1268 160.015,1269 25.985,1270 6.896,1271 124.96,1272 124.96,1273 17,1274 12.391,1275 4.087,1276 3.17,1277 32.162,1278 64,1279 62,1280 0.256,1281 141.557,1282 228.78,1283 337.159,1284 7718,1286 14.983,1287 0.713,1288 0.55,1289 14.983,1290 11.545,1291 10.118,1292 0.44,1293 0.267,1294 5.967,1295 9.495,1296 5.803,1297 4.858,1298 10.118,1299 6.132,1300 9.119,1301 0.276,1302 0.131,1303 9.119,1304 4.319,1305 7.892,1306 0.175,1307 0.068,1308 7.892,1309 3.046,1310 6.806,1311 0.113,1312 0.034,1313 6.806,1314 2.06,1315 5.166,1316 0.07,1317 0.018,1318 5.166,1319 1.296,1320 0.391,1321 65.147,1322 0.258,1323 20.483,1324 0.733,1325 112,1326 377.364,1327 128.359,1328 360.32,1329 499.1,1330 338,1331 134,1332 378.485,1333 150.693,1334 383.196,1335 561.32,1336 357,1337 4.281}
{0 CHEMBL102850,1 1.693,2 12.258,3 3.331,4 11.093,5 119.862,6 7.972,7 0.545,8 4.077,9 4.2,10 3.673,11 3.565,12 5.358,13 3.571,14 4.547,15 4.712,16 4.038,17 3.946,18 5.938,19 3.933,20 4.773,21 4.948,22 4.149,23 4.125,24 5.976,25 4.099,26 4.946,27 5.135,28 4.198,29 4.186,30 6.202,31 4.147,32 5.035,33 5.251,34 4.108,35 4.197,36 6.236,37 4.136,38 5.052,39 5.304,40 3.982,41 4.103,42 6.183,43 4.016,44 4.848,45 5.081,46 4.015,47 3.919,48 6.215,49 3.879,50 4.713,51 4.913,52 3.853,53 3.779,54 6.067,55 3.77,56 0.223,57 0.817,58 9.827,59 4.185,60 20.416,61 5.356,62 0.48,63 1.231,64 17.766,65 7.205,66 77.737,67 9.508,68 0.363,69 1.51,70 22.321,71 8.718,72 41.024,73 11.705,74 0.612,75 1.669,76 28.39,77 10.186,78 69.594,79 13.796,80 0.692,81 1.748,82 32.679,83 10.304,84 92.554,85 14.394,86 0.854,87 1.614,88 37.306,89 11.37,90 137.186,91 16.225,92 0.883,93 1.336,94 29.463,95 8.869,96 104.605,97 12.776,98 0.657,99 1.146,100 24.935,101 7.245,102 91.99,103 9.397,104 74,105 47,106 0.279,107 0.654,108 0.789,109 0.85,110 0.859,111 0.859,112 3.472,113 0.859,114 -4.55,115 -4.47,116 -4.21,119 39.6,120 1,121 1,124 1,125 1,139 7,140 4,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,161 1,165 1,166 11,167 1,169 2,170 7,172 3,173 4,175 2,178 11,179 2,180 1,181 1,182 13,187 3,189 7,190 2,191 1,192 2,193 16,195 1,196 1,197 1,198 7,200 2,201 4,202 1,204 5,205 1,207 11,212 5,215 7,218 4,220 2,221 5,222 1,223 1,224 1,226 2,229 8,231 2,233 7,234 10,236 3,237 4,239 1,241 8,243 1,246 8,248 1,249 1,254 6,255 1,260 5,261 1,262 3,263 3,265 2,268 4,269 2,270 1,273 1655,274 20.231,275 20.231,276 20.231,277 20.231,278 20.231,279 17.594,280 25.376,281 11.603,282 20.566,283 16.162,284 16.162,285 16.162,286 16.162,287 16.162,288 12.111,289 33.114,290 5.349,291 16.702,292 4.035,293 1.76,294 0.942,295 0.571,296 0.519,297 0.519,298 4.146,301 1,302 1,303 791,304 3.937,307 341.389,314 2.008,315 45.058,318 1,319 0.83,320 1,321 0.6,323 0.83,324 0.5,325 0.68,326 69,327 380,328 4.569,329 3.815,330 6.788,331 4.178,332 3.203,333 4.305,334 2.612,335 11.139,336 3.126,337 4.375,338 3.576,339 6.588,340 3.973,341 3.015,342 4.041,343 1.437,344 10.369,345 2.889,346 4.166,347 3.236,348 5.931,349 3.781,350 2.782,351 3.757,352 0.916,353 8.241,354 2.771,355 3.772,356 3.098,357 5.58,358 3.432,359 2.46,360 3.18,361 0.172,362 7.321,363 2.393,364 3.704,365 2.637,366 5.321,367 3.231,368 2.288,369 3.08,371 6.7,372 2.156,373 3.554,374 2.397,375 5.187,376 3.081,377 2.115,378 2.891,380 6.077,381 2.033,382 3.302,383 2.228,384 5.038,385 2.935,386 1.987,387 2.551,389 5.703,390 1.879,391 3.18,392 2.043,393 4.773,394 2.748,395 1.797,396 2.405,398 5.008,399 1.7,400 2.802,401 1.883,402 4.112,403 2.325,404 1.334,405 1.818,407 3.358,408 1.307,409 2.626,410 1.58,411 3.754,412 2.109,413 1.131,414 1.606,415 2.789,416 1.096,417 2.5,418 1.207,419 3.6,420 2,421 1,422 1.5,423 2.422,424 1,425 2.466,426 1,427 3.414,428 2,429 1,430 1.444,431 2.275,432 1,433 1.713,434 1,435 3.323,436 1.523,437 0.541,438 0.612,439 1.031,440 0.531,441 1.333,442 0.659,443 2.79,444 1.027,445 0.071,446 0.086,448 0.156,449 0.068,450 1.179,451 0.492,452 2.705,453 0.866,454 -0.107,455 -0.127,457 -0.26,458 -0.103,459 14.233,460 0.459,461 0.966,462 0.031,463 44,464 1.419,465 24,466 0.774,467 20,468 0.645,469 23.788,470 0.767,471 33.767,472 0.637,473 38.246,474 1.234,475 8.815,476 0.284,477 5.891,478 0.19,479 0.22,481 0.407,485 0.684,486 1.211,487 0.762,488 0.966,489 0.728,490 0.887,491 0.449,492 0.944,493 0.664,494 0.902,495 0.332,496 0.839,497 0.727,498 1.226,499 0.87,500 1.127,501 0.587,502 1.037,503 0.848,504 1.234,505 0.989,506 1.196,507 0.804,508 1.141,509 1.039,510 1.134,511 1.187,512 1.145,513 0.931,514 1.172,515 0.976,516 0.908,517 0.998,518 0.955,519 1.089,520 0.982,521 0.719,522 0.846,523 0.805,524 0.911,525 0.812,526 0.89,527 1.549,528 1.044,529 1.132,530 1.018,531 1.591,532 0.989,533 7.5,534 0.186,535 4,536 3.063,537 2.28,538 1.444,539 0.972,540 0.682,541 0.431,542 0.312,543 11959,544 40635,545 1.957,546 41.5,547 3,548 12,551 5,552 2,555 1.738,556 1.771,557 3.533,558 2.445,560 1,564 89.724,565 1.693,566 3.968,567 4.786,568 5.157,569 5.209,570 5.209,571 3.076,572 4.696,573 4.922,574 3.736,575 1737.2,576 8.606,577 24596.6,579 1,582 303.58,583 1.565,584 4.847,585 0.227,586 0.007,587 0.085,588 0.059,589 0.044,590 0.031,591 0.024,592 0.017,593 0.012,594 0.012,595 0.518,597 0.88,598 0.99,599 161.038,600 0.02,601 0.033,602 0.007,603 0.099,604 -0.113,605 0.057,606 0.257,607 0.197,608 0.177,609 0.153,610 0.291,611 0.148,612 -0.057,613 -0.102,614 -0.023,615 -0.08,616 -0.002,617 -0.046,618 -0.017,619 -0.18,620 -0.083,621 -0.178,622 -0.016,623 -0.157,624 -0.197,625 -0.098,626 -0.245,627 -0.172,628 -0.129,629 -0.201,630 -0.069,631 -0.005,632 0.03,633 0.025,634 -0.137,635 0.043,636 0.281,637 0.102,638 0.216,639 0.047,640 0.172,641 0.096,642 -0.273,643 -0.094,644 -0.112,645 -0.065,646 -0.195,647 -0.05,648 2.677,649 4.806,650 0.581,651 31.948,652 1.019,653 1.135,654 3.315,655 10.991,656 0.659,657 3.526,658 3.871,659 4.127,660 4.382,661 4.585,662 4.654,663 4.762,664 4.82,665 4.875,666 4.905,667 7.131,668 0.645,669 422.49,670 3.526,671 5.081,672 5.932,673 6.821,674 7.691,675 8.583,676 9.46,677 10.353,678 11.235,679 12.129,680 11.3,684 2,686 1,690 2,691 1,695 7,696 2,700 9,702 18,709 1,711 2,713 1,714 1,718 53,719 21,720 2,721 33,723 55,724 21,725 16,726 5,727 7,728 1,729 3,730 3,734 1,739 1,741 17,742 4,744 3,746 1,748 3,751 1,754 1,757 22,758 9,759 5,760 10,764 6,769 1,770 4,776 1,781 3,800 1,802 3,806 2,810 31,811 2,815 1,816 2,821 1,829 7.5,831 1,832 1,835 2,836 17.5,837 10,838 6.861,839 2.987,840 3.336,841 1.448,842 0.952,843 6.611,844 10.79,845 3.829,846 4.46,847 5.016,848 5.587,849 6.128,850 6.398,851 6.767,852 7.05,853 7.433,854 7.725,855 1,856 52,857 11.429,859 4.896,860 8.167,861 20.854,863 16.604,865 2.667,866 82.667,869 1,870 200.109,871 114.345,872 108.16,874 118.575,877 114.345,878 318.684,879 108.16,880 22.892,881 4.64,882 132.128,883 102.309,884 24.137,885 4.227,886 200.109,887 50.747,888 200.109,889 222.505,890 118.575,893 200.109,894 67.828,895 50.747,897 18.121,898 165.142,899 39.241,901 200.109,902 226.735,903 114.345,906 200.109,907 30.79,908 92.35,910 217.941,911 200.109,912 226.735,913 114.345,915 0.589,916 0.347,917 0.186,918 0.101,919 21,920 12,921 0.127,922 7,924 1,925 4.007,926 276.354,928 18,929 147.58,933 22.312,934 9.185,935 4.861,937 221.065,938 11.188,939 8.189,943 3.189,945 108.478,946 541.189,947 45,949 -0.456,951 34.615,954 -1.011,956 53.989,957 60.149,958 0.296,959 0.693,960 0.836,961 0.9,962 0.909,963 0.909,964 5.072,965 1.797,966 5.948,967 5.703,968 4.554,969 5.147,970 2.881,971 6.786,972 4.492,973 6.311,974 1.334,975 7.534,976 5.008,977 4.29,978 5.103,979 2.396,980 7.766,981 4.189,982 7.639,983 1.131,984 9.218,985 3.358,986 6.18,987 7.377,988 4.293,989 10.854,990 6.062,991 9,992 1,993 10.956,994 2.789,995 6.673,996 8.08,997 4.512,998 12.639,999 6.522,1000 10.388,1001 1,1002 12.73,1003 2.422,1004 8.089,1005 9.882,1006 5.995,1007 15.269,1008 7.92,1009 11.795,1010 0.541,1011 14.529,1012 2.275,1013 8.923,1014 10.934,1015 6.557,1016 17.401,1017 8.724,1018 13.218,1019 0.071,1020 16.347,1021 1.031,1022 10.158,1023 12.54,1024 7.809,1025 19.873,1026 9.939,1027 3.203,1028 -0.107,1029 18.179,1030 0.156,1031 11.153,1032 13.771,1033 8.548,1034 22.154,1035 10.905,1036 3.015,1037 11.139,1038 20.023,1039 -0.26,1040 12.319,1041 15.286,1042 9.675,1043 24.57,1044 12.049,1045 2.782,1046 10.369,1047 21.877,1048 4.305,1049 13.389,1050 16.611,1051 10.509,1052 26.914,1053 13.091,1054 2.46,1055 8.241,1056 23.739,1057 4.041,1058 14.531,1059 18.083,1060 11.565,1061 29.312,1062 14.209,1063 2.288,1064 7.321,1065 25.608,1066 3.757,1067 15.637,1068 19.46,1069 12.452,1070 31.683,1071 15.287,1072 2.115,1073 6.7,1074 27.482,1075 3.18,1076 16.774,1077 20.913,1078 13.468,1079 34.076,1080 16.399,1081 1.987,1082 6.077,1083 29.361,1084 3.08,1085 17.897,1086 22.318,1087 14.386,1088 36.459,1089 17.495,1090 11899,1091 22087,1092 20.808,1093 34.943,1094 50.004,1095 51.683,1096 52.757,1097 49.535,1098 49.447,1099 66.553,1100 10.276,1101 145.177,1102 47.898,1103 5.407,1104 5.815,1105 6.31,1106 5.248,1107 5.203,1108 7.305,1109 4.612,1110 18.156,1111 5.126,1112 20.9,1113 1.515,1114 1.566,1115 1.599,1116 1.501,1117 1.498,1118 2.017,1119 0.311,1120 4.399,1121 1.451,1122 4.069,1123 4.1,1124 4.037,1125 3.963,1126 7.815,1127 3.973,1128 3.928,1129 3.954,1130 3.877,1131 3.86,1132 7.475,1133 3.86,1134 3.829,1135 3.874,1136 3.801,1137 3.644,1138 6.999,1139 3.67,1140 3.505,1141 3.549,1142 3.458,1143 3.251,1144 6.351,1145 3.265,1146 3.419,1147 3.489,1148 3.34,1149 3.187,1150 5.285,1151 3.188,1152 3.385,1153 3.448,1154 3.204,1155 3.032,1156 4.98,1157 3.124,1158 3.227,1159 3.25,1160 3.13,1161 2.967,1162 4.727,1163 2.999,1164 3.069,1165 3.189,1166 2.925,1167 2.781,1168 4.644,1169 2.8,1170 0.138,1171 0.116,1172 0.206,1173 0.127,1174 0.097,1175 4.569,1176 0.13,1177 3.815,1178 0.079,1179 6.788,1180 0.338,1181 4.178,1182 0.095,1183 3.203,1184 4.305,1185 2.612,1186 11.139,1187 3.126,1188 1.989,1189 1.964,1190 2.07,1191 2.128,1192 1.235,1193 2.101,1194 1.915,1195 1.893,1196 2.014,1197 2.011,1198 1.161,1199 2.012,1200 1.736,1201 1.691,1202 1.878,1203 1.952,1204 1.03,1205 1.913,1206 1.409,1207 1.341,1208 1.677,1209 1.698,1210 0.792,1211 1.666,1212 1.366,1213 1.29,1214 1.597,1215 1.638,1216 0.583,1217 1.647,1218 1.186,1219 1.152,1220 1.374,1221 1.571,1222 0.507,1223 1.519,1224 1.116,1225 1.077,1226 1.285,1227 1.412,1228 0.218,1229 1.376,1230 0.974,1231 0.877,1232 1.256,1233 1.359,1234 0.213,1235 1.344,1236 4.205,1238 5.541,1240 7.071,1242 8.691,1244 10.361,1246 3.613,1250 11.71,1251 9.015,1252 0.89,1257 1.723,1262 34.202,1263 89.724,1264 210.303,1265 253.664,1266 273.315,1267 276.07,1268 276.07,1269 81.917,1270 7.454,1271 164.18,1272 164.18,1273 18,1274 12.658,1275 4.459,1276 3.7,1277 58.227,1278 131,1279 143,1280 0.217,1281 214.579,1282 374.2,1283 515.332,1284 16621,1286 22.706,1287 0.732,1288 0.551,1289 22.706,1290 17.071,1291 14.706,1292 0.446,1293 0.286,1294 9.294,1295 14.012,1296 9.038,1297 7.556,1298 14.706,1299 9.449,1300 13.682,1301 0.291,1302 0.148,1303 13.682,1304 6.961,1305 10.872,1306 0.178,1307 0.08,1308 10.872,1309 4.857,1310 9.192,1311 0.116,1312 0.043,1313 9.192,1314 3.376,1315 7.162,1316 0.074,1317 0.023,1318 7.162,1319 2.216,1320 0.341,1321 93.34,1322 0.219,1323 29.07,1324 0.595,1325 160,1326 544.561,1327 179.07,1328 528.207,1329 701.55,1330 484,1331 188,1332 515.82,1333 205.828,1334 519.009,1335 750.52,1336 484,1337 8.42}
{0 CHEMBL102967,1 1.647,2 13.219,3 2.787,4 7.766,5 127.242,6 7.641,7 0.529,8 4.137,9 4.273,10 3.704,11 3.62,12 5.364,13 3.615,14 4.623,15 4.809,16 4.056,17 3.998,18 5.895,19 3.974,20 4.834,21 5.018,22 4.176,23 4.167,24 6.027,25 4.133,26 5.004,27 5.208,28 4.185,29 4.2,30 6.257,31 4.153,32 5.016,33 5.235,34 4.078,35 4.201,36 6.183,37 4.13,38 5.039,39 5.297,40 3.976,41 4.126,42 6.113,43 4.025,44 4.892,45 5.144,46 3.996,47 3.936,48 6.214,49 3.879,50 4.71,51 4.921,52 3.754,53 3.756,54 6.011,55 3.724,56 0.188,57 0.891,58 11.301,59 4.409,60 16.322,61 6.122,62 0.435,63 1.328,64 20.634,65 7.606,66 57.898,67 10.63,68 0.279,69 1.597,70 25.141,71 9.286,72 35.131,73 13.08,74 0.651,75 1.714,76 32.427,77 10.365,78 94.533,79 14.631,80 0.553,81 1.732,82 32.807,83 10.159,84 85.361,85 14.772,86 0.599,87 1.626,88 36.164,89 11.402,90 91.654,91 16.89,92 0.806,93 1.367,94 31.6,95 9.19,96 105.868,97 13.789,98 0.592,99 1.127,100 25.63,101 6.944,102 92.161,103 9.53,104 75,105 48,106 0.268,107 0.624,108 0.77,109 0.826,110 0.834,111 0.834,112 3.502,113 0.879,114 -4.36,115 -4.29,116 -4.05,119 38.6,120 1,121 1,124 2,125 1,139 7,140 4,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 11,169 3,170 6,172 3,173 3,175 3,178 11,180 1,182 11,185 1,187 5,189 7,191 1,193 15,195 1,196 3,197 1,198 8,200 2,201 4,204 5,205 1,207 10,212 6,215 7,218 4,220 2,221 5,223 1,224 1,226 2,229 8,231 2,233 4,234 9,236 2,237 6,238 1,239 2,240 1,241 8,243 1,246 7,248 1,249 1,251 1,254 6,260 6,262 2,263 2,264 1,265 1,267 1,268 4,270 1,273 1832,274 20.938,275 20.938,276 20.938,277 20.938,278 20.938,279 18.353,280 27.558,281 12.034,282 21.313,283 16.635,284 16.635,285 16.635,286 16.635,287 16.635,288 12.584,289 36.032,290 5.545,291 17.2,292 4.186,293 1.996,294 1.099,295 0.755,296 0.706,297 0.706,298 4.178,301 1,302 1,303 879,304 4.062,307 357.636,314 2.107,315 41.961,318 1,319 0.83,320 1,321 0.8,323 0.83,324 0.5,325 0.71,326 70.5,327 423,328 4.557,329 3.806,330 6.777,331 4.163,332 3.186,333 4.297,334 2.612,335 11.103,336 3.116,337 4.341,338 3.664,339 6.403,340 3.918,341 2.936,342 4.023,343 1.2,344 9.756,345 2.898,346 4.239,347 3.232,348 6.284,349 3.887,350 2.911,351 3.79,352 0.657,353 9.192,354 2.818,355 3.786,356 2.843,357 5.363,358 3.448,359 2.463,360 3.175,361 0.293,362 6.969,363 2.427,364 3.706,365 2.628,366 5.323,367 3.229,368 2.29,369 3.132,371 6.695,372 2.152,373 3.487,374 2.344,375 5.038,376 2.949,377 1.993,378 2.83,380 5.704,381 1.904,382 3.3,383 2.223,384 4.912,385 2.929,386 1.978,387 2.548,389 5.321,390 1.876,391 3.137,392 2.08,393 4.806,394 2.801,395 1.843,396 2.337,398 5.013,399 1.759,400 3.076,401 1.906,402 4.769,403 2.691,404 1.737,405 2.215,407 4.972,408 1.65,409 2.61,410 1.838,411 3.629,412 2,413 1,414 1.597,415 2.425,416 1,417 2.5,418 1.388,419 3.414,420 2,421 1,422 1.5,423 2.275,424 1,425 2.202,426 1,427 3.404,428 1.858,429 0.876,430 1.044,431 2.005,432 0.852,433 1.96,434 1,435 3.293,436 1.647,437 0.644,438 0.805,439 1.451,440 0.641,441 1.69,442 0.996,443 3.081,444 1.479,445 0.495,446 0.574,448 0.946,449 0.486,450 1.333,451 0.649,452 2.746,453 1.022,454 0.066,455 0.079,457 0.141,458 0.062,459 14.8,460 0.463,461 0.966,462 0.03,463 44.75,464 1.398,465 24,466 0.75,467 20.75,468 0.648,469 24.784,470 0.774,471 35,472 0.614,473 38.897,474 1.216,475 8.965,476 0.28,477 6.241,478 0.195,479 0.223,481 0.392,485 0.637,486 1.299,487 0.787,488 1.027,489 0.663,490 0.938,491 0.536,492 0.91,493 0.703,494 0.86,495 0.402,496 0.813,497 0.777,498 1.281,499 0.878,500 1.187,501 0.645,502 1.065,503 1.136,504 1.145,505 1.052,506 1.092,507 1.151,508 1.07,509 1.14,510 1.144,511 1.205,512 1.149,513 1.067,514 1.172,515 0.859,516 0.983,517 0.949,518 1.044,519 0.944,520 1.022,521 0.725,522 0.827,523 0.782,524 0.906,525 0.793,526 0.868,527 1.831,528 1.034,529 1.266,530 1.027,531 1.915,532 1.047,533 7.5,534 0.219,535 4.222,536 2.813,537 2.08,538 1.41,539 1.053,540 0.526,541 0.394,542 0.297,543 13720,544 41678,545 1.958,546 43.9,547 3,548 15,551 5,552 2,555 1.743,556 1.778,557 3.637,558 2.407,560 1,564 93.864,565 1.647,566 3.837,567 4.733,568 5.078,569 5.126,570 5.126,571 3.118,572 4.164,573 4.969,574 3.857,575 1913.06,576 8.683,577 28514.9,579 1,582 332.475,583 1.561,584 4.895,585 0.221,586 0.008,587 0.088,588 0.053,589 0.041,590 0.031,591 0.026,592 0.013,593 0.013,594 0.011,595 0.504,597 0.88,598 1.133,599 169.691,600 0.061,601 -0.026,602 0.024,603 0.053,604 -0.088,605 0.034,606 0.216,607 0.234,608 0.179,609 0.19,610 0.221,611 0.181,612 -0.037,613 -0.158,615 -0.126,616 0.013,617 -0.062,618 -0.082,619 -0.112,620 -0.097,621 -0.089,622 -0.069,623 -0.101,624 -0.224,625 -0.096,626 -0.261,627 -0.16,628 -0.17,629 -0.203,630 -0.002,631 -0.06,632 0.043,633 -0.047,634 -0.082,635 -0.003,636 0.34,637 0.102,638 0.245,639 0.045,640 0.259,641 0.11,642 -0.348,643 -0.082,644 -0.228,645 -0.087,646 -0.269,647 -0.127,648 2.454,649 5.002,650 0.563,651 35.234,652 1.011,653 1.138,654 3.128,655 9.785,656 0.654,657 3.555,658 3.892,659 4.143,660 4.369,661 4.564,662 4.635,663 4.745,664 4.762,665 4.844,666 4.905,667 7.742,668 0.632,669 435.54,670 3.555,671 5.106,672 5.953,673 6.834,674 7.699,675 8.584,676 9.455,677 10.341,678 11.216,679 12.103,680 12.3,684 2,685 1,687 1,690 2,691 1,695 7,696 2,700 9,702 18,708 1,711 2,712 1,713 1,718 57,719 21,720 2,721 34,723 59,724 22,725 16,726 5,727 7,728 1,729 3,730 3,734 1,739 1,741 17,742 5,744 3,746 1,748 3,751 1,754 1,757 25,758 9,759 5,760 10,764 7,769 1,770 3,776 1,781 3,802 3,806 3,810 32,811 2,816 2,817 1,821 1,829 5.3,832 1,835 2,836 18,837 11.05,838 7.111,839 3.225,840 3.377,841 1.447,842 0.967,843 7.156,844 10.932,845 3.85,846 4.472,847 5.029,848 5.575,849 6.109,850 6.381,851 6.745,852 7.006,853 7.389,854 7.692,855 0.889,856 53,857 11.803,859 4.988,860 8.036,861 21.785,863 17.217,865 2.536,866 81.167,869 1,870 235.422,871 126.536,872 126.171,874 75.892,877 126.536,878 311.314,879 126.171,880 31.288,881 7.765,882 132.128,883 81.431,884 21.013,885 4.227,886 235.422,887 50.747,888 235.422,889 252.707,890 75.892,893 235.422,894 25.145,895 50.747,897 21.246,898 174.209,899 57.252,901 235.422,902 202.062,903 126.536,906 235.422,907 34.584,908 100.746,909 18.011,910 175.257,911 235.422,912 202.062,913 126.536,915 0.588,916 0.347,917 0.181,918 0.096,919 21,920 12,921 0.119,922 7,924 1,925 4.145,926 283.04,928 18,929 152,933 23.29,934 9.833,935 5.285,937 196.392,938 11.893,939 8.2,943 3.663,945 83.805,946 564.021,947 46,949 -0.454,951 35.471,954 -0.09,956 57.647,957 64.853,958 0.282,959 0.658,960 0.812,961 0.871,962 0.879,963 0.879,964 5.091,965 1.843,966 5.964,967 5.321,968 4.575,969 5.159,970 2.769,971 6.79,972 4.515,973 6.324,974 1.737,975 7.545,976 5.013,977 4.29,978 5.103,979 2.396,980 7.756,981 4.2,982 7.648,983 1,984 9.224,985 4.972,986 6.192,987 7.383,988 4.214,989 10.834,990 6.082,991 9.007,992 1,993 10.958,994 2.425,995 6.673,996 8.083,997 4.517,998 12.604,999 6.542,1000 10.393,1001 0.876,1002 12.728,1003 2.275,1004 8.091,1005 9.883,1006 5.961,1007 15.222,1008 7.941,1009 11.8,1010 0.644,1011 14.523,1012 2.005,1013 8.916,1014 10.932,1015 6.558,1016 17.336,1017 8.748,1018 13.221,1019 0.495,1020 16.336,1021 1.451,1022 10.149,1023 12.536,1024 7.797,1025 19.793,1026 9.962,1027 3.186,1028 0.066,1029 18.164,1030 0.946,1031 11.136,1032 13.764,1033 8.549,1034 22.057,1035 10.929,1036 2.936,1037 11.103,1038 20.003,1039 0.141,1040 12.298,1041 15.277,1042 9.67,1043 24.459,1044 12.072,1045 2.911,1046 9.756,1047 21.852,1048 4.297,1049 13.359,1050 16.599,1051 10.509,1052 26.788,1053 13.113,1054 2.463,1055 9.192,1056 23.708,1057 4.023,1058 14.495,1059 18.07,1060 11.563,1061 29.173,1062 14.229,1063 2.29,1064 6.969,1065 25.571,1066 3.79,1067 15.592,1068 19.443,1069 12.452,1070 31.533,1071 15.305,1072 1.993,1073 6.695,1074 27.439,1075 3.175,1076 16.721,1077 20.894,1078 13.468,1079 33.917,1080 16.414,1081 1.978,1082 5.704,1083 29.311,1084 3.132,1085 17.836,1086 22.295,1087 14.386,1088 36.292,1089 17.507,1090 13638,1091 23945,1092 21.501,1093 37.256,1094 51.303,1095 53.527,1096 53.932,1097 50.925,1098 50.834,1099 67.896,1100 9.525,1101 147.936,1102 49.281,1103 5.399,1104 5.806,1105 6.299,1106 5.233,1107 5.186,1108 7.297,1109 4.612,1110 17.995,1111 5.116,1112 21.737,1113 1.509,1114 1.574,1115 1.586,1116 1.498,1117 1.495,1118 1.997,1119 0.28,1120 4.351,1121 1.449,1122 4.065,1123 4.096,1124 4.032,1125 3.96,1126 7.815,1127 3.969,1128 3.938,1129 3.966,1130 3.886,1131 3.866,1132 7.428,1133 3.866,1134 3.827,1135 3.874,1136 3.8,1137 3.64,1138 6.999,1139 3.666,1140 3.583,1141 3.655,1142 3.487,1143 3.346,1144 5.285,1145 3.368,1146 3.464,1147 3.498,1148 3.419,1149 3.198,1150 4.98,1151 3.191,1152 3.391,1153 3.48,1154 3.204,1155 3.071,1156 4.746,1157 3.124,1158 3.269,1159 3.35,1160 3.134,1161 3.027,1162 4.651,1163 3.072,1164 3.077,1165 3.191,1166 2.945,1167 2.829,1168 4.413,1169 2.846,1170 0.134,1171 0.112,1172 0.199,1173 0.122,1174 0.094,1175 4.557,1176 0.126,1177 3.806,1178 0.077,1179 6.777,1180 0.327,1181 4.163,1182 0.092,1183 3.186,1184 4.297,1185 2.612,1186 11.103,1187 3.116,1188 1.986,1189 1.961,1190 2.067,1191 2.124,1192 1.218,1193 2.097,1194 1.922,1195 1.898,1196 2.019,1197 2.021,1198 1.163,1199 2.021,1200 1.731,1201 1.687,1202 1.874,1203 1.954,1204 1.024,1205 1.912,1206 1.512,1207 1.439,1208 1.776,1209 1.782,1210 0.848,1211 1.781,1212 1.386,1213 1.303,1214 1.631,1215 1.65,1216 0.689,1217 1.659,1218 1.238,1219 1.162,1220 1.486,1221 1.625,1222 0.578,1223 1.545,1224 1.185,1225 1.151,1226 1.417,1227 1.472,1228 0.469,1229 1.477,1230 0.987,1231 0.907,1232 1.285,1233 1.357,1234 0.218,1235 1.343,1236 4.234,1238 5.565,1240 7.088,1242 8.7,1244 10.361,1246 5.273,1250 11.715,1252 0.899,1253 3.094,1257 1.501,1262 36.035,1263 93.864,1264 218.702,1265 269.804,1266 289.455,1267 292.21,1268 292.21,1269 82.631,1270 7.555,1271 155.98,1272 155.98,1273 18,1274 12.637,1275 4.459,1276 3.7,1277 61.415,1278 148,1279 150,1280 0.202,1281 226.969,1282 393.71,1283 545.565,1284 19593,1286 23.413,1287 0.732,1288 0.566,1289 23.413,1290 18.124,1291 15.206,1292 0.447,1293 0.293,1294 9.795,1295 14.513,1296 9.475,1297 7.965,1298 15.206,1299 9.96,1300 14.002,1301 0.292,1302 0.154,1303 14.002,1304 7.381,1305 11.327,1306 0.183,1307 0.08,1308 11.327,1309 4.937,1310 9.138,1311 0.117,1312 0.043,1313 9.138,1314 3.325,1315 7.101,1316 0.075,1317 0.023,1318 7.101,1319 2.199,1320 0.322,1321 96.302,1322 0.216,1323 30.128,1324 0.539,1325 164,1326 530.744,1327 182.243,1328 517.632,1329 693.07,1330 476,1331 192,1332 513.128,1333 210.164,1334 518.609,1335 748.67,1336 483,1337 8.051}
{0 CHEMBL102996,1 1.843,2 12.452,3 2.201,4 4.844,5 122.21,6 8.53,7 0.545,8 4.07,9 4.188,10 3.858,11 3.594,12 5.308,13 3.577,14 4.55,15 4.694,16 4.136,17 3.967,18 6.088,19 3.94,20 4.784,21 4.96,22 4.195,23 4.114,24 6.042,25 4.076,26 4.891,27 5.072,28 4.184,29 4.127,30 6.222,31 4.085,32 4.963,33 5.188,34 4.047,35 4.098,36 6.174,37 4.035,38 4.894,39 5.136,40 3.982,41 4.004,42 6.037,43 3.926,44 4.796,45 5.02,46 4.017,47 3.86,48 6.241,49 3.82,50 4.68,51 4.897,52 3.797,53 3.706,54 6.019,55 3.669,56 0.27,57 0.857,58 11.71,59 4.329,60 34.339,61 5.026,62 0.564,63 1.261,64 18.793,65 7.843,66 108.71,67 9.438,68 0.524,69 1.517,70 24.727,71 9.182,72 66.987,73 11.352,74 0.69,75 1.597,76 27.028,77 9.668,78 85.84,79 12.236,80 0.815,81 1.593,82 30.64,83 9.522,84 125.347,85 12.896,86 0.752,87 1.449,88 33.178,89 10.044,90 116.53,91 13.742,92 0.934,93 1.272,94 28.352,95 8.461,96 118.522,97 11.46,98 0.822,99 1.068,100 25.821,101 7.155,102 122.213,103 8.67,104 74,105 48,106 0.304,107 0.652,108 0.793,109 0.855,110 0.855,111 0.855,112 3.472,113 0.973,114 -3.3,115 -3.29,116 -3.15,119 36.5,120 1,121 1,125 1,139 7,140 3,141 3,143 1,144 1,147 1,157 3,158 3,159 3,160 2,166 9,169 3,170 4,172 5,173 5,175 3,178 9,180 1,182 11,185 1,187 7,189 6,191 3,193 15,195 1,196 3,197 1,198 10,200 2,201 4,204 7,205 1,207 10,212 6,215 7,218 5,220 2,221 5,223 1,224 1,226 2,229 8,231 2,233 4,234 9,236 2,237 6,238 2,239 2,240 2,241 7,243 1,246 6,248 1,249 1,251 1,254 4,260 4,262 2,263 2,264 1,265 2,267 1,268 3,270 2,273 1669,274 19.996,275 19.996,276 19.996,277 19.996,278 19.996,279 17.177,280 25.495,281 11.388,282 20.439,283 16.184,284 16.184,285 16.184,286 16.184,287 16.184,288 11.819,289 32.725,290 5.267,291 16.914,292 3.858,293 1.742,294 0.892,295 0.515,296 0.515,297 0.515,298 4.146,301 1,303 803,304 4.062,307 342.418,314 2.05,315 50.785,318 0.5,319 0.67,320 0.67,321 0.4,323 0.5,324 0.5,325 0.46,326 69.5,327 386,328 4.801,329 4.661,330 7.111,331 4.229,332 3.313,333 4.66,334 2.612,335 11.657,336 3.116,337 4.557,338 3.806,339 6.777,340 4.163,341 3.185,342 4.297,343 0.657,344 11.103,345 3.002,346 4.34,347 3.232,348 6.403,349 3.892,350 2.929,351 4.023,353 9.756,354 2.82,355 3.886,356 2.836,357 5.364,358 3.482,359 2.49,360 3.429,362 7.023,363 2.468,364 3.707,365 2.613,366 5.322,367 3.229,368 2.29,369 3.173,371 6.696,372 2.152,373 3.491,374 2.339,375 5.038,376 2.945,377 1.99,378 2.836,380 5.704,381 1.9,382 3.3,383 2.222,384 4.902,385 2.925,386 1.967,387 2.549,389 5.312,390 1.875,391 3.145,392 1.89,393 4.77,394 2.716,395 1.762,396 2.366,398 5,399 1.676,400 3.074,401 1.721,402 4.579,403 2.598,404 1.607,405 2.28,407 4.677,408 1.588,409 2.61,410 1.385,411 3.629,412 2,413 1,414 1.597,415 2.425,416 1,417 2.5,418 1.009,419 3.414,420 2,421 1,422 1.5,423 2.275,424 1,425 1.982,426 1,427 3.387,428 1.73,429 0.776,430 0.9,431 1.831,432 0.737,433 1.693,434 1,435 3.217,436 1.495,437 0.518,438 0.588,439 0.983,440 0.505,441 1.334,442 0.662,443 2.789,444 1.027,445 0.074,446 0.089,448 0.159,449 0.07,450 1.081,451 0.374,452 2.726,453 0.701,454 -0.256,455 -0.322,457 -0.663,458 -0.243,459 14.467,460 0.467,461 1.076,462 0.035,463 45.25,464 1.46,465 25.5,466 0.823,467 19.75,468 0.637,469 23.132,470 0.746,471 34.133,472 0.656,473 38.526,474 1.243,475 8.696,476 0.281,477 5.899,478 0.19,479 0.21,480 0.058,481 0.339,485 0.583,486 1.181,487 0.818,488 1.083,489 0.762,490 0.848,491 0.431,492 1.021,493 0.797,494 1.032,495 0.371,496 0.926,497 0.876,498 1.182,499 0.919,500 1.05,501 0.741,502 1.004,503 0.93,504 1.249,505 0.993,506 1.156,507 0.855,508 1.193,509 1.084,510 1.024,511 0.933,512 0.891,513 0.981,514 1.074,515 0.836,516 0.969,517 0.878,518 0.971,519 0.844,520 0.992,521 0.775,522 0.843,523 0.787,524 0.873,525 0.832,526 0.94,527 1.643,528 0.818,529 1.021,530 0.757,531 1.602,532 0.897,533 8.5,534 0.235,535 4.222,536 2.813,537 1.96,538 1.472,539 0.973,540 0.526,541 0.443,542 0.337,543 12403,544 45252,545 1.949,546 40.4,547 3,548 9,551 7,552 2,555 1.735,556 1.763,557 3.544,558 4.21,560 1,564 95.822,565 1.843,566 3.958,567 4.808,568 5.186,569 5.186,570 5.186,571 3.087,572 4.607,573 4.924,574 3.788,575 1761.5,576 8.595,577 25425.2,579 1,582 296.423,583 1.721,584 4.839,585 0.258,586 0.008,587 0.088,588 0.055,589 0.04,590 0.035,591 0.025,592 0.013,593 0.015,594 0.012,595 0.55,596 0.17,597 0.88,598 0.99,599 162.144,600 0.074,601 0.109,602 0.152,603 0.089,604 -0.179,605 0.109,606 0.331,607 0.118,608 0.078,609 0.036,610 0.363,611 0.06,612 -0.114,613 -0.102,614 -0.057,615 -0.045,616 -0.042,617 -0.019,618 -0.074,619 -0.204,620 -0.173,621 -0.222,622 -0.039,623 -0.234,624 -0.219,625 -0.058,626 -0.141,627 -0.052,628 -0.162,629 -0.112,630 -0.017,631 -0.052,632 0.045,633 -0.038,634 -0.073,635 0.037,636 0.252,637 0.088,638 0.11,639 -0.004,640 0.152,641 0.022,642 -0.356,643 0.067,644 -0.08,645 0.115,646 -0.266,647 0.039,648 4.703,649 4.668,650 0.581,651 32.489,652 1.025,653 1.138,654 2.069,655 4.28,656 0.67,657 3.526,658 3.892,659 4.111,660 4.344,661 4.543,662 4.635,663 4.71,664 4.71,665 4.844,666 4.89,667 7.416,668 0.652,669 443.54,670 3.526,671 5.094,672 5.938,673 6.832,674 7.695,675 8.59,676 9.459,677 10.354,678 11.227,679 12.121,680 13.5,684 3,685 1,690 2,691 1,695 7,696 2,700 9,702 18,711 2,712 1,713 1,718 52,719 22,720 2,721 33,723 54,724 19,725 16,726 5,727 7,729 3,730 3,734 1,739 1,741 16,742 3,744 4,746 1,747 1,748 4,754 1,757 21,758 10,759 7,760 12,761 1,764 7,769 1,770 4,776 1,781 3,802 3,804 1,806 1,810 31,811 3,814 1,816 2,817 1,829 7.7,832 2,835 2,836 17.583,837 9.267,838 6.722,839 2.824,840 3.448,841 1.461,842 0.992,843 6.527,844 10.932,845 3.85,846 4.527,847 5.029,848 5.587,849 6.119,850 6.414,851 6.757,852 6.978,853 7.406,854 7.71,855 1,856 51,857 11.653,859 5.27,860 8.255,861 20.812,863 16.897,865 2.755,866 85.417,870 164.795,871 109.211,872 154.338,874 95.06,876 5.807,877 103.404,878 259.855,879 154.338,880 14.495,881 4.64,882 169.227,883 95.895,884 19.378,885 4.227,886 164.795,887 50.747,888 164.795,889 257.742,890 95.06,891 5.807,893 164.795,894 44.313,895 50.747,897 18.121,898 182.368,899 63.059,901 164.795,902 249.398,903 109.211,905 5.807,906 164.795,907 28.245,908 80.829,909 18.011,910 225.717,911 164.795,912 249.398,913 109.211,915 0.596,916 0.34,917 0.176,918 0.095,919 22,920 12,921 0.13,922 7,924 1,925 4.034,926 273.453,928 18,929 145.58,932 1,933 22.591,934 8.956,935 5.155,937 243.727,938 10.557,939 8.139,943 2.628,945 115.097,946 523.404,947 46,949 -0.504,950 -3.786,951 46.021,956 53.283,957 59.152,958 0.323,959 0.694,960 0.843,961 0.91,962 0.91,963 0.91,964 5.103,965 1.762,966 5.984,967 5.312,968 4.575,969 5.215,970 2.57,971 6.847,972 4.49,973 6.376,974 1.607,975 7.591,976 5,977 4.443,978 5.387,979 2.361,980 8.03,981 4.285,982 7.744,983 1,984 9.306,985 4.677,986 6.271,987 7.564,988 4.16,989 11.042,990 6.086,991 9.149,992 1,993 11.084,994 2.425,995 6.889,996 8.481,997 4.506,998 13.001,999 6.621,1000 10.584,1001 0.776,1002 12.902,1003 2.275,1004 8.281,1005 10.227,1006 5.948,1007 15.611,1008 7.983,1009 12.04,1010 0.518,1011 14.748,1012 1.831,1013 9.216,1014 11.463,1015 6.556,1016 17.863,1017 8.835,1018 13.514,1019 0.074,1020 16.615,1021 0.983,1022 10.458,1023 13.057,1024 7.794,1025 20.348,1026 10.037,1027 3.313,1028 -0.256,1029 18.498,1030 0.159,1031 11.528,1032 14.437,1033 8.548,1034 22.709,1035 11.031,1036 3.185,1037 11.657,1038 20.393,1039 -0.663,1040 12.72,1041 15.975,1042 9.67,1043 25.155,1044 12.173,1045 2.929,1046 11.103,1047 22.297,1048 4.66,1049 13.848,1050 17.423,1051 10.509,1052 27.559,1053 13.23,1054 2.49,1055 9.756,1056 24.209,1057 4.297,1058 15.024,1059 18.941,1060 11.563,1061 29.993,1062 14.35,1063 2.29,1064 7.023,1065 26.126,1066 4.023,1067 16.177,1068 20.422,1069 12.452,1070 32.415,1071 15.436,1072 1.99,1073 6.696,1074 28.049,1075 3.429,1076 17.35,1077 21.936,1078 13.468,1079 34.848,1080 16.549,1081 1.967,1082 5.704,1083 29.975,1084 3.173,1085 18.516,1086 23.434,1087 14.386,1088 37.277,1089 17.65,1090 12322,1091 23733,1092 20.69,1093 34.835,1094 49.928,1095 52.128,1096 52.191,1097 49.876,1098 49.802,1099 68.574,1100 6.539,1101 149.205,1102 47.818,1103 5.638,1104 6.661,1105 6.633,1106 5.299,1107 5.313,1108 7.66,1109 4.612,1110 18.549,1111 5.116,1112 21.171,1113 1.513,1114 1.58,1115 1.582,1116 1.511,1117 1.509,1118 2.078,1119 0.198,1120 4.521,1121 1.449,1122 4.09,1123 4.104,1124 4.728,1125 4.06,1126 7.815,1127 3.994,1128 4.024,1129 4.021,1130 4.026,1131 3.938,1132 7.726,1133 3.929,1134 3.832,1135 3.878,1136 3.808,1137 3.653,1138 6.999,1139 3.67,1140 3.67,1141 3.666,1142 3.727,1143 3.578,1144 6.999,1145 3.51,1146 3.462,1147 3.496,1148 3.428,1149 3.197,1150 5.285,1151 3.191,1152 3.391,1153 3.477,1154 3.204,1155 3.035,1156 4.98,1157 3.124,1158 3.209,1159 3.29,1160 3.108,1161 2.984,1162 4.833,1163 2.998,1164 3.058,1165 3.178,1166 2.915,1167 2.783,1168 4.724,1169 2.796,1170 0.145,1171 0.141,1172 0.215,1173 0.128,1174 0.1,1175 4.801,1176 0.141,1177 4.661,1178 0.079,1179 7.111,1180 0.353,1181 4.229,1182 0.094,1183 3.313,1184 4.66,1185 2.612,1186 11.657,1187 3.116,1188 1.993,1189 1.981,1190 2.061,1191 2.124,1192 1.228,1193 2.103,1194 1.953,1195 1.943,1196 2.002,1197 2.03,1198 1.183,1199 2.057,1200 1.734,1201 1.691,1202 1.872,1203 1.955,1204 1.028,1205 1.916,1206 1.507,1207 1.527,1208 1.632,1209 1.705,1210 0.786,1211 1.726,1212 1.385,1213 1.302,1214 1.489,1215 1.642,1216 0.6,1217 1.658,1218 1.186,1219 1.152,1220 1.285,1221 1.609,1222 0.33,1223 1.533,1224 1.132,1225 1.066,1226 1.258,1227 1.413,1228 0.218,1229 1.417,1230 0.965,1231 0.87,1232 1.223,1233 1.344,1234 0.213,1235 1.336,1236 4.205,1238 5.557,1240 7.096,1242 8.721,1244 10.391,1246 1.871,1250 16.738,1252 0.757,1253 2.995,1262 33.884,1263 95.822,1264 205.817,1265 250.016,1266 269.668,1267 269.668,1268 269.668,1269 86.981,1270 7.484,1271 195.83,1272 204.21,1273 18,1274 12.651,1275 4.524,1276 3.807,1277 58.377,1278 137,1279 131,1280 0.207,1281 216.247,1282 371.75,1283 519.402,1284 17700,1286 22.759,1287 0.734,1288 0.561,1289 23.009,1290 17.387,1291 14.596,1292 0.442,1293 0.324,1294 9.147,1295 13.176,1296 8.817,1297 7.347,1298 15.49,1299 10.707,1300 14.202,1301 0.296,1302 0.172,1303 15.589,1304 8.235,1305 10.712,1306 0.179,1307 0.092,1308 11.468,1309 5.511,1310 8.908,1311 0.117,1312 0.048,1313 9.425,1314 3.614,1315 6.876,1316 0.074,1317 0.026,1318 7.244,1319 2.419,1320 0.329,1321 101.514,1322 0.22,1323 29.243,1324 0.558,1325 162,1326 561.007,1327 214.822,1328 566.903,1329 750.53,1330 514,1331 189,1332 528.707,1333 246.617,1334 566.121,1335 813.65,1336 527,1337 8.509}
{0 CHEMBL103059,1 1.671,2 14,3 2.652,4 7.033,5 121.828,6 8.259,7 0.333,8 4.128,9 4.229,10 3.748,11 3.638,12 5.426,13 3.654,14 4.612,15 4.753,16 4.1,17 4.006,18 5.996,19 3.997,20 4.908,21 5.078,22 4.183,23 4.175,24 6.172,25 4.145,26 5.016,27 5.214,28 4.145,29 4.187,30 6.264,31 4.145,32 4.986,33 5.179,34 4.149,35 4.181,36 6.361,37 4.128,38 4.944,39 5.141,40 4.119,41 4.144,42 6.416,43 4.084,44 4.846,45 5.032,46 4.022,47 4.064,48 6.232,49 4.009,50 4.799,51 5.012,52 3.921,53 3.921,54 6.111,55 3.888,56 0.191,57 0.804,58 9.352,59 4.704,60 34.438,61 5.324,62 0.549,63 1.262,64 17.19,65 7.495,66 86.696,67 9.253,68 0.697,69 1.568,70 26.266,71 10.264,72 117.583,73 12.598,74 0.914,75 1.654,76 32.443,77 11.22,78 152.167,79 13.901,80 0.958,81 1.573,82 31.409,83 11.796,84 178.169,85 14.946,86 1.098,87 1.516,88 30.415,89 11.451,90 184.003,91 14.652,92 0.737,93 1.388,94 26.334,95 10.433,96 145.312,97 13.17,98 0.724,99 1.317,100 27.235,101 8.806,102 119.682,103 11.283,104 67,105 49,106 0.272,107 0.677,108 0.829,109 0.892,110 0.898,111 0.898,112 3.56,113 0.857,114 -3.48,115 -3.46,116 -3.3,119 42.9,121 2,125 2,127 1,137 1,138 1,139 7,140 3,141 2,153 5,161 2,165 2,166 10,167 1,170 9,173 5,175 4,176 1,178 8,179 2,182 12,185 1,186 1,187 6,189 4,190 1,192 1,193 10,194 1,198 5,199 1,201 6,202 1,203 1,206 1,207 3,208 2,210 2,211 1,212 2,213 2,215 16,216 2,220 4,221 2,222 1,224 4,225 1,226 2,229 20,230 3,233 1,234 3,237 1,239 3,241 11,242 2,246 11,247 1,251 7,254 2,255 2,259 1,260 12,263 1,265 8,273 2224,274 22.507,275 22.507,276 22.507,277 22.507,278 22.507,279 20.121,280 30.903,281 13.39,282 22.754,283 17.703,284 17.703,285 17.703,286 17.703,287 17.703,288 13.911,289 37.891,290 6.254,291 18.072,292 4.137,293 1.646,294 0.708,295 0.321,296 0.286,297 0.286,298 4.24,301 1,302 1,303 990,304 4.899,307 348.362,311 187.344,314 2.235,315 54.583,318 1,319 0.5,320 0.83,321 0.6,323 0.83,324 0.5,325 0.61,326 76,327 476,328 4.412,329 3.777,330 6.479,331 4.042,332 3.053,333 4.057,334 2.375,335 10.075,336 3.021,337 4.239,338 3.611,339 6.192,340 3.913,341 2.93,342 3.8,343 2.341,344 9.216,345 2.884,346 3.992,347 3.592,348 6.081,349 3.76,350 2.798,351 3.255,352 1.11,353 8.797,354 2.682,355 3.823,356 3.522,357 5.818,358 3.566,359 2.571,360 3.035,361 1.102,362 7.845,363 2.538,364 3.631,365 3.222,366 5.27,367 3.26,368 2.264,369 2.956,370 1.061,371 6.689,372 2.251,373 3.524,374 2.77,375 5.03,376 3.177,377 2.172,378 2.687,379 0.779,380 5.688,381 2.155,382 3.468,383 2.467,384 4.645,385 2.955,386 1.967,387 2.571,388 0.461,389 5.121,390 1.931,391 3.358,392 2.327,393 4.448,394 2.682,395 1.702,396 2.21,397 0.14,398 4.419,399 1.659,400 2.987,401 2.14,402 4.118,403 2.363,404 1.421,405 1.899,407 3.526,408 1.338,409 2.877,410 1.947,411 4.039,412 2.343,413 1.361,414 1.868,415 3.398,416 1.321,417 2.554,418 1.855,419 3.61,420 2.127,421 1.113,422 1.5,423 2.57,424 1.113,425 2.5,426 1.307,427 3.414,428 2,429 1,430 1.427,431 2.275,432 1,433 2.496,434 1.241,435 3.372,436 1.935,437 0.942,438 1.381,439 2.157,440 0.93,441 2.405,442 1.103,443 3.128,444 1.81,445 0.83,446 1.183,448 1.585,449 0.81,450 1.57,451 1,452 2.875,453 1.342,454 0.341,455 0.384,457 0.771,458 0.335,459 15.6,460 0.459,461 0.894,462 0.026,463 44.25,464 1.301,465 22.5,466 0.662,467 21.75,468 0.64,469 27.232,470 0.801,471 36.6,472 0.654,473 40.184,474 1.182,475 9.262,476 0.272,477 7.016,478 0.206,479 0.16,481 0.346,485 0.798,486 1.269,487 0.74,488 1.008,489 0.691,490 0.88,491 0.516,492 1.144,493 0.811,494 1.043,495 0.455,496 1.002,497 0.92,498 1.179,499 1.023,500 1.099,501 0.911,502 1.092,503 1.102,504 0.961,505 1.105,506 0.957,507 1.058,508 1.009,509 0.819,510 0.966,511 0.958,512 1.014,513 0.886,514 1.029,515 0.633,516 0.756,517 0.921,518 0.933,519 0.731,520 0.997,521 0.776,522 1.112,523 0.97,524 1.141,525 0.824,526 1.124,527 1.1,528 0.986,529 0.999,530 0.9,531 1.019,532 0.907,533 7.5,534 0.227,535 4.222,536 2,537 2.009,538 1.208,539 0.75,540 0.632,541 0.497,542 0.228,543 16788,544 61293,545 1.977,546 39.3,548 12,549 1,550 1,551 4,552 2,553 2,555 1.759,556 1.821,557 3.74,558 1.575,560 1,564 93.556,565 1.671,566 4.161,567 5.099,568 5.486,569 5.522,570 5.522,571 3.268,572 4.653,573 5.058,574 3.961,575 2222.3,576 8.864,577 35472.2,582 325.212,583 1.508,584 4.999,585 0.208,586 0.008,587 0.086,588 0.038,589 0.041,590 0.025,591 0.016,592 0.015,593 0.013,594 0.006,595 0.456,596 0.17,597 0.75,598 1.767,599 184.985,600 -0.119,601 -0.096,602 -0.01,603 0.028,604 -0.086,605 0.037,606 0.181,607 -0.002,608 -0.002,609 -0.044,610 0.159,611 -0.066,612 -0.089,613 -0.138,614 -0.121,615 -0.102,616 -0.096,617 -0.12,618 -0.173,619 0.033,620 -0.126,621 0.021,622 -0.149,623 -0.023,624 0.067,625 -0.014,626 0.016,627 0.003,628 0.027,629 -0.006,630 0.245,631 0.205,632 0.056,633 0.079,634 0.161,635 0.026,636 0.058,637 -0.154,638 -0.022,639 -0.113,640 0.031,641 -0.096,642 -0.164,643 -0.008,644 0.016,645 0.064,646 -0.086,647 0.09,648 2.976,649 5.452,650 0.471,651 41.142,652 1.024,653 1.125,654 2.248,655 5.055,656 0.671,657 3.611,658 3.912,659 4.127,660 4.331,661 4.564,662 4.605,663 4.691,664 4.787,665 4.92,666 4.852,667 8.315,668 0.663,669 462.5,670 3.611,671 5.142,672 5.969,673 6.83,674 7.679,675 8.544,676 9.402,677 10.268,678 11.13,679 11.998,680 7.1,686 1,687 2,689 1,695 7,700 5,702 12,707 2,714 1,718 56,719 18,720 2,721 36,723 58,724 24,725 12,726 5,727 7,728 3,729 3,730 4,739 3,740 2,741 17,742 5,744 5,748 4,749 1,750 1,751 4,754 1,757 22,758 10,759 4,760 10,764 4,766 1,769 0.667,770 6,781 3,785 1,788 1,789 1,792 2,800 2,802 2,810 34,815 2,816 4,817 2,820 1,821 1,823 1,824 1,827 1,829 10.7,831 2,832 4,836 18.667,837 9.8,838 7.639,839 3.071,840 2.781,841 1.364,842 0.922,843 8.287,844 10.417,845 3.912,846 4.407,847 4.864,848 5.355,849 5.883,850 6.102,851 6.415,852 6.653,853 7.082,854 7.172,855 1,856 52,857 12.623,859 5.471,860 8.289,861 22.77,863 18.16,865 2.789,866 94.833,869 1,870 211.88,871 150.884,872 55.931,874 185.946,877 150.884,878 397.826,879 55.931,881 45.302,882 66.334,883 217.565,884 34.98,885 52.123,886 188.338,888 211.88,889 206.815,890 185.946,893 188.338,894 209.489,897 62.088,898 127.697,899 17.031,901 211.88,902 241.878,903 150.884,906 211.88,907 35.58,908 78.077,909 53.052,910 226.053,911 211.88,912 241.878,913 150.884,915 0.575,916 0.325,917 0.168,918 0.097,919 20,920 11,921 0.172,922 10,923 1,924 1.125,925 4.405,926 298.925,927 0.125,928 16,929 168.974,933 24.817,934 11.353,935 6.602,937 241.878,938 11.756,943 2.813,945 121.388,946 604.641,947 49,951 46.53,952 1.345,953 4.129,954 -3.329,956 57.323,957 62.986,958 0.288,959 0.717,960 0.878,961 0.945,962 0.951,963 0.951,964 5.153,965 1.702,966 5.953,967 5.121,968 4.595,969 5.094,970 3.306,971 6.732,972 4.557,973 6.352,974 1.421,975 7.501,976 4.419,977 4.205,978 4.856,979 2.903,980 7.594,981 4.16,982 7.644,983 1.361,984 9.146,985 3.526,986 6.163,987 7.155,988 4.451,989 10.643,990 6.087,991 8.963,992 1.113,993 10.848,994 3.398,995 6.553,996 7.693,997 4.835,998 12.302,999 6.47,1000 10.309,1001 1,1002 12.585,1003 2.57,1004 8.001,1005 9.505,1006 5.964,1007 14.864,1008 7.89,1009 11.673,1010 0.942,1011 14.346,1012 2.275,1013 8.748,1014 10.419,1015 6.633,1016 16.857,1017 8.629,1018 13.052,1019 0.83,1020 16.124,1021 2.157,1022 9.986,1023 12.02,1024 7.607,1025 19.239,1026 9.843,1027 3.053,1028 0.341,1029 17.915,1030 1.585,1031 10.907,1032 13.136,1033 8.385,1034 21.383,1035 10.754,1036 2.93,1037 10.075,1038 19.715,1039 0.771,1040 12.054,1041 14.634,1042 9.295,1043 23.697,1044 11.881,1045 2.798,1046 9.216,1047 21.523,1048 4.057,1049 13.06,1050 15.864,1051 10.118,1052 25.911,1053 12.876,1054 2.571,1055 8.797,1056 23.337,1057 3.8,1058 14.17,1059 17.308,1060 11,1061 28.2,1062 13.969,1063 2.264,1064 7.845,1065 25.156,1066 3.255,1067 15.217,1068 18.603,1069 11.843,1070 30.448,1071 15.005,1072 2.172,1073 6.689,1074 26.978,1075 3.035,1076 16.312,1077 20.02,1078 12.712,1079 32.731,1080 16.086,1081 1.967,1082 5.688,1083 28.805,1084 2.956,1085 17.381,1086 21.353,1087 13.563,1088 34.997,1089 17.144,1090 16623,1091 31870,1092 23.175,1093 37.602,1094 54.972,1095 56.429,1096 55.372,1097 53.094,1098 53.04,1099 68.572,1100 18.738,1101 148.519,1102 52.048,1103 5.323,1104 5.777,1105 6.243,1106 5.114,1107 5.053,1108 7.057,1109 3.989,1110 16.759,1111 5.021,1112 21.366,1113 1.527,1114 1.567,1115 1.538,1116 1.475,1117 1.473,1118 1.905,1119 0.521,1120 4.126,1121 1.446,1122 4.027,1123 4.058,1124 3.981,1125 3.938,1126 7.478,1127 3.943,1128 3.926,1129 3.953,1130 3.881,1131 3.845,1132 7.471,1133 3.849,1134 3.763,1135 3.801,1136 3.678,1137 3.589,1138 7.43,1139 3.601,1140 3.586,1141 3.635,1142 3.509,1143 3.437,1144 7.427,1145 3.444,1146 3.451,1147 3.483,1148 3.388,1149 3.257,1150 6.352,1151 3.275,1152 3.421,1153 3.451,1154 3.341,1155 3.177,1156 6.35,1157 3.222,1158 3.212,1159 3.221,1160 3.167,1161 2.996,1162 5.43,1163 3.031,1164 3.077,1165 3.116,1166 3.005,1167 2.884,1168 4.858,1169 2.903,1170 0.123,1171 0.105,1172 0.18,1173 0.112,1174 0.085,1175 4.412,1176 0.113,1177 3.777,1178 0.066,1179 6.479,1180 0.28,1181 4.042,1182 0.084,1183 3.053,1184 4.057,1185 2.375,1186 10.075,1187 3.021,1188 1.969,1189 1.943,1190 2.059,1191 2.078,1192 1.23,1193 2.073,1194 1.901,1195 1.878,1196 1.993,1197 2.01,1198 1.215,1199 2.003,1200 1.704,1201 1.663,1202 1.897,1203 1.904,1204 1.089,1205 1.899,1206 1.542,1207 1.494,1208 1.709,1209 1.73,1210 0.829,1211 1.723,1212 1.37,1213 1.32,1214 1.532,1215 1.609,1216 0.581,1217 1.572,1218 1.303,1219 1.283,1220 1.469,1221 1.567,1222 0.566,1223 1.553,1224 1.103,1225 1.077,1226 1.315,1227 1.351,1228 0.339,1229 1.314,1230 0.998,1231 0.965,1232 1.181,1233 1.248,1234 0.218,1235 1.232,1236 4.29,1238 5.595,1240 7.086,1242 8.665,1244 10.292,1251 17.971,1252 0.058,1253 4.884,1256 -1.313,1257 1.875,1259 5.528,1261 2.587,1262 37.116,1263 93.556,1264 233.031,1265 285.56,1266 307.212,1267 309.212,1268 309.212,1269 105.872,1270 7.636,1271 152.69,1272 152.69,1273 18,1274 12.544,1275 4.248,1276 3.807,1277 67.514,1278 170,1279 162,1280 0.191,1281 231.905,1282 427.3,1283 557.608,1284 22698,1286 24.665,1287 0.725,1288 0.53,1289 24.665,1290 18.024,1291 16.278,1292 0.452,1293 0.286,1294 10.118,1295 15.56,1296 9.946,1297 8.216,1298 16.278,1299 10.285,1300 14.659,1301 0.299,1302 0.153,1303 14.659,1304 7.487,1305 11.438,1306 0.188,1307 0.084,1308 11.438,1309 5.105,1310 9.016,1311 0.12,1312 0.045,1313 9.016,1314 3.374,1315 7.446,1316 0.078,1317 0.024,1318 7.446,1319 2.261,1320 0.307,1321 103.024,1322 0.208,1323 31.885,1324 0.504,1325 170,1326 617.197,1327 191.25,1328 590.034,1329 764.57,1330 542,1331 195,1332 525.831,1333 213.737,1334 530.377,1335 764,1336 496,1337 5.648}
{0 CHEMBL103086,1 1.745,2 16.436,3 2.305,4 5.311,5 143.789,6 8.145,7 0.439,8 4.296,9 4.414,10 3.892,11 3.755,12 5.606,13 3.774,14 4.772,15 4.922,16 4.257,17 4.136,18 6.22,19 4.127,20 5.06,21 5.246,22 4.353,23 4.297,24 6.308,25 4.279,26 5.167,27 5.351,28 4.392,29 4.333,30 6.482,31 4.315,32 5.23,33 5.432,34 4.379,35 4.342,36 6.615,37 4.316,38 5.201,39 5.412,40 4.338,41 4.292,42 6.626,43 4.254,44 5.121,45 5.331,46 4.289,47 4.174,48 6.622,49 4.147,50 4.993,51 5.21,52 4.022,53 4.01,54 6.308,55 3.981,56 0.345,57 0.997,58 11.951,59 5.209,60 42.875,61 6.426,62 0.708,63 1.501,64 21.289,65 9.112,66 127.516,67 11.834,68 0.9,69 1.836,70 31.88,71 10.951,72 131.152,73 14.798,74 1.119,75 1.946,76 36.1,77 11.716,78 166.675,79 15.553,80 1.394,81 1.973,82 40.619,83 12.034,84 231.631,85 16.46,86 1.408,87 1.858,88 40.716,89 12.757,90 243.186,91 17.592,92 1.399,93 1.671,94 37.896,95 11.48,96 207.947,97 15.889,98 1.109,99 1.415,100 34.444,101 9.652,102 169.788,103 12.987,104 122,105 57,106 0.274,107 0.652,108 0.805,109 0.876,110 0.887,111 0.887,112 3.692,113 0.862,114 -3.61,115 -3.59,116 -3.42,119 37.9,120 1,121 3,125 1,127 1,139 7,140 4,141 2,143 1,144 1,147 1,153 3,157 2,158 2,159 2,160 2,161 2,165 2,166 12,167 1,169 2,170 6,172 3,173 6,175 6,176 1,178 11,179 2,180 1,182 11,185 2,186 1,187 10,189 7,190 1,191 1,193 15,194 1,195 1,196 3,197 1,198 11,199 1,200 2,201 5,202 1,203 1,204 5,205 1,206 1,207 11,208 2,210 2,211 1,212 8,213 2,215 10,216 2,218 4,220 3,221 7,222 1,223 1,224 3,225 1,226 4,229 12,230 3,231 2,233 5,234 12,236 2,237 6,238 2,239 5,240 1,241 11,242 3,243 1,246 10,248 1,249 1,251 4,254 7,255 2,260 7,262 2,263 2,264 1,265 5,266 1,267 1,268 4,269 1,270 1,273 3133,274 25.369,275 25.369,276 25.369,277 25.369,278 25.369,279 22.37,280 32.325,281 14.765,282 25.695,283 20.105,284 20.105,285 20.105,286 20.105,287 20.105,288 15.444,289 40.36,290 6.873,291 20.622,292 4.3,293 1.899,294 0.927,295 0.477,296 0.405,297 0.405,298 4.368,303 1320,304 5.05,307 466.242,314 2.55,315 70.792,318 0.25,319 0.33,320 0.33,321 0.7,323 0.17,325 0.25,326 88.5,327 641,328 4.557,329 3.806,330 6.777,331 4.163,332 3.186,333 4.297,334 2.612,335 11.103,336 3.116,337 4.34,338 3.777,339 6.403,340 3.901,341 2.932,342 4.023,343 2.375,344 9.756,345 2.874,346 4.205,347 3.592,348 6.116,349 3.878,350 2.889,351 3.771,352 2.341,353 8.889,354 2.817,355 3.894,356 3.521,357 5.832,358 3.645,359 2.651,360 3.175,361 1.061,362 7.909,363 2.62,364 3.709,365 3.232,366 5.333,367 3.361,368 2.364,369 3.138,370 0.657,371 6.855,372 2.354,373 3.687,374 2.841,375 5.31,376 3.228,377 2.288,378 2.959,379 0.14,380 6.688,381 2.155,382 3.524,383 2.625,384 5.038,385 3.177,386 2.171,387 2.824,389 5.704,390 2.151,391 3.48,392 2.343,393 4.897,394 2.941,395 1.989,396 2.686,398 5.286,399 1.893,400 3.3,401 2.223,402 4.77,403 2.917,404 1.955,405 2.548,407 5.12,408 1.872,409 3.116,410 2.149,411 4.645,412 2.704,413 1.752,414 2.33,415 4.999,416 1.661,417 2.878,418 1.962,419 4.201,420 2.45,421 1.453,422 1.923,423 3.756,424 1.433,425 2.61,426 1.851,427 3.636,428 2.146,429 1.132,430 1.597,431 2.627,432 1.13,433 2.5,434 1.388,435 3.617,436 2,437 1,438 1.5,439 2.425,440 1,441 2.481,442 1.104,443 3.414,444 2,445 1,446 1.369,448 2.275,449 1,450 1.977,451 1,452 3.38,453 1.726,454 0.768,455 0.891,457 1.812,458 0.733,459 17.633,460 0.452,461 1.179,462 0.03,463 52,464 1.333,465 27,466 0.692,467 25,468 0.641,469 33.118,470 0.849,471 43.567,472 0.66,473 50.107,474 1.285,475 10.487,476 0.269,477 8.006,478 0.205,479 0.206,481 0.391,485 0.75,486 1.199,487 0.769,488 0.971,489 0.726,490 0.878,491 0.411,492 1.153,493 0.704,494 1.122,495 0.384,496 1.02,497 0.848,498 1.155,499 0.916,500 1.046,501 0.793,502 1.003,503 1.044,504 1.191,505 1.073,506 1.133,507 1.002,508 1.114,509 1.033,510 1.036,511 1.092,512 1.017,513 1.007,514 1.048,515 0.826,516 0.993,517 0.937,518 1.041,519 0.858,520 1.024,521 0.808,522 0.909,523 0.911,524 1.015,525 0.828,526 1.004,527 1.293,528 0.929,529 1.118,530 0.958,531 1.289,532 0.981,533 9.5,534 0.244,535 4.889,536 3.063,537 2.56,538 1.882,539 1.176,540 0.691,541 0.566,542 0.332,543 24835,544 91335,545 1.937,546 40.9,547 3,548 10,551 8,552 4,553 2,555 1.79,556 1.759,557 3.928,558 4.738,564 115.149,565 1.745,566 4.145,567 5.118,568 5.567,569 5.639,570 5.639,571 3.361,572 4.875,573 5.256,574 4.176,575 3094.72,576 9.244,577 55760.3,582 398.93,583 1.564,584 5.18,585 0.232,586 0.007,587 0.086,588 0.049,589 0.041,590 0.031,591 0.021,592 0.013,593 0.014,594 0.009,595 0.503,596 0.17,597 0.5,598 1.654,599 222.864,600 -0.06,601 0.084,602 -0.02,603 0.14,604 -0.109,605 0.086,606 0.264,607 0.023,608 0.109,609 -0.016,610 0.246,611 -0.007,612 -0.073,613 -0.067,614 -0.021,615 -0.008,616 -0.069,617 -0.001,618 -0.143,619 -0.131,620 -0.149,621 -0.123,622 -0.124,623 -0.138,624 -0.096,625 -0.016,626 -0.129,627 -0.036,628 -0.068,629 -0.073,630 0.088,631 -0.027,632 0.047,633 -0.034,634 0.067,635 -0.007,636 0.174,637 0.053,638 0.092,639 -0.035,640 0.149,641 -0.01,642 -0.234,643 -0.005,644 -0.089,645 0.01,646 -0.179,647 0.008,648 3.004,649 5.414,650 0.462,651 53.077,652 1.028,653 1.138,654 2.385,655 5.688,656 0.649,657 3.738,658 4.06,659 4.277,660 4.5,661 4.71,662 4.779,663 4.844,664 4.89,665 5.017,666 5.043,667 9.593,668 0.643,669 537.59,670 3.738,671 5.283,672 6.116,673 6.989,674 7.844,675 8.721,676 9.585,677 10.464,678 11.333,679 12.214,680 10.6,684 2,685 1,687 1,690 2,691 1,695 7,696 2,700 9,702 18,707 1,711 2,712 1,713 1,718 66,719 23,720 2,721 41,723 68,724 25,725 16,726 5,727 7,728 1,729 3,730 3,734 1,739 4,741 19,742 6,744 5,746 1,748 5,751 3,757 27,758 13,759 8,760 14,764 7,769 1,770 7,776 1,781 3,792 2,800 2,802 3,806 1,810 39,811 2,815 2,816 4,817 2,820 1,829 10.6,831 2,832 3,835 2,836 22.167,837 11.667,838 8.694,839 3.729,840 3.479,841 1.437,842 0.924,843 9.9,844 11.433,845 4.025,846 4.61,847 5.098,848 5.631,849 6.16,850 6.429,851 6.776,852 7.052,853 7.463,854 7.744,855 0.909,856 62,857 14.501,859 6.332,860 8.355,861 25.917,863 20.601,865 2.855,866 111.333,870 223.651,871 116.632,872 141.057,874 211.548,877 116.632,878 435.199,879 141.057,880 14.495,881 27.72,882 132.128,883 218.908,884 21.013,885 4.227,886 223.651,887 50.747,888 223.651,889 257.689,890 211.548,893 200.109,894 184.344,895 50.747,897 41.201,898 159.236,899 57.252,901 223.651,902 352.605,903 116.632,906 223.651,907 41.473,908 80.829,909 36.022,910 310.914,911 223.651,912 352.605,913 116.632,915 0.584,916 0.331,917 0.172,918 0.097,919 23,920 14,921 0.176,922 12,924 1,925 4.728,926 361.184,928 18,929 200.131,933 29.452,934 13.11,935 7.706,937 346.935,938 10.74,939 8.151,943 2.572,945 187.183,946 692.888,947 55,949 -0.525,951 58.064,954 -3.178,956 67.84,957 75.106,958 0.289,959 0.686,960 0.847,961 0.921,962 0.933,963 0.933,964 5.265,965 1.989,966 6.12,967 5.704,968 4.745,969 5.298,970 3.496,971 6.925,972 4.696,973 6.487,974 1.955,975 7.687,976 5.286,977 4.443,978 5.239,979 3.312,980 7.854,981 4.372,982 7.803,983 1.752,984 9.35,985 5.12,986 6.34,987 7.472,988 4.96,989 10.915,990 6.247,991 9.149,992 1.453,993 11.069,994 4.999,995 6.792,996 8.16,997 5.369,998 12.654,999 6.681,1000 10.523,1001 1.132,1002 12.824,1003 3.756,1004 8.209,1005 9.934,1006 6.639,1007 15.258,1008 8.075,1009 11.915,1010 1,1011 14.604,1012 2.627,1013 9.006,1014 10.971,1015 7.287,1016 17.353,1017 8.854,1018 13.323,1019 1,1020 16.404,1021 2.425,1022 10.235,1023 12.561,1024 8.396,1025 19.801,1026 10.062,1027 3.186,1028 0.768,1029 18.218,1030 2.275,1031 11.2,1032 13.78,1033 9.163,1034 22.055,1035 11.007,1036 2.932,1037 11.103,1038 20.046,1039 1.812,1040 12.356,1041 15.287,1042 10.193,1043 24.451,1044 12.142,1045 2.889,1046 9.756,1047 21.883,1048 4.297,1049 13.402,1050 16.604,1051 11.026,1052 26.776,1053 13.166,1054 2.651,1055 8.889,1056 23.729,1057 4.023,1058 14.532,1059 18.071,1060 12.014,1061 29.16,1062 14.274,1063 2.364,1064 7.909,1065 25.582,1066 3.771,1067 15.618,1068 19.441,1069 12.886,1070 31.518,1071 15.339,1072 2.288,1073 6.855,1074 27.442,1075 3.175,1076 16.742,1077 20.89,1078 13.853,1079 33.902,1080 16.44,1081 2.171,1082 6.688,1083 29.307,1084 3.138,1085 17.849,1086 22.291,1087 14.75,1088 36.278,1089 17.525,1090 24743,1091 47616,1092 25.778,1093 42.835,1094 61.43,1095 64.127,1096 64.254,1097 60.988,1098 60.914,1099 80.172,1100 18.374,1101 174.209,1102 59.429,1103 5.469,1104 5.806,1105 6.299,1106 5.233,1107 5.186,1108 7.297,1109 4.612,1110 17.995,1111 5.116,1112 28.069,1113 1.498,1114 1.564,1115 1.567,1116 1.488,1117 1.486,1118 1.955,1119 0.448,1120 4.249,1121 1.449,1122 4.066,1123 4.098,1124 4.034,1125 3.961,1126 7.815,1127 3.97,1128 3.941,1129 3.968,1130 3.889,1131 3.866,1132 7.477,1133 3.867,1134 3.83,1135 3.876,1136 3.801,1137 3.642,1138 7.471,1139 3.667,1140 3.757,1141 3.793,1142 3.671,1143 3.586,1144 7.428,1145 3.598,1146 3.486,1147 3.514,1148 3.44,1149 3.235,1150 6.999,1151 3.264,1152 3.456,1153 3.49,1154 3.402,1155 3.193,1156 6.352,1157 3.191,1158 3.392,1159 3.469,1160 3.262,1161 3.097,1162 6.35,1163 3.134,1164 3.329,1165 3.365,1166 3.204,1167 3.031,1168 5.285,1169 3.123,1170 0.111,1171 0.093,1172 0.165,1173 0.102,1174 0.078,1175 4.557,1176 0.105,1177 3.806,1178 0.064,1179 6.777,1180 0.271,1181 4.163,1182 0.076,1183 3.186,1184 4.297,1185 2.612,1186 11.103,1187 3.116,1188 1.986,1189 1.961,1190 2.066,1191 2.124,1192 1.228,1193 2.097,1194 1.922,1195 1.898,1196 2.019,1197 2.023,1198 1.212,1199 2.022,1200 1.733,1201 1.689,1202 1.901,1203 1.956,1204 1.155,1205 1.918,1206 1.701,1207 1.661,1208 1.871,1209 1.898,1210 1.022,1211 1.891,1212 1.39,1213 1.325,1214 1.633,1215 1.663,1216 0.72,1217 1.659,1218 1.351,1219 1.299,1220 1.53,1221 1.637,1222 0.598,1223 1.598,1224 1.23,1225 1.197,1226 1.432,1227 1.612,1228 0.554,1229 1.536,1230 1.186,1231 1.152,1232 1.285,1233 1.494,1234 0.218,1235 1.475,1236 4.419,1238 5.74,1240 7.242,1242 8.833,1244 10.473,1246 1.855,1250 11.707,1251 17.967,1252 0.017,1253 5.309,1256 -1.345,1262 42.421,1263 115.149,1264 273.588,1265 337.769,1266 367.42,1267 372.175,1268 372.175,1269 148.03,1270 7.954,1271 239.37,1272 239.37,1273 18,1274 12.752,1275 4.585,1276 3.907,1277 84.401,1278 229,1279 216,1280 0.179,1281 265.876,1282 475.49,1283 640.498,1284 34486,1286 28.69,1287 0.736,1288 0.535,1289 28.69,1290 20.879,1291 18.493,1292 0.451,1293 0.287,1294 11.583,1295 17.561,1296 11.382,1297 9.434,1298 18.493,1299 11.786,1300 17.087,1301 0.3,1302 0.149,1303 17.087,1304 8.479,1305 13.068,1306 0.184,1307 0.082,1308 13.068,1309 5.797,1310 10.578,1311 0.119,1312 0.043,1313 10.578,1314 3.842,1315 8.428,1316 0.077,1317 0.023,1318 8.428,1319 2.546,1320 0.292,1321 118.002,1322 0.197,1323 35.827,1324 0.463,1325 196,1326 729.203,1327 223.405,1328 696.084,1329 904.71,1330 636,1331 226,1332 642.321,1333 249.922,1334 639.644,1335 922.25,1336 599,1337 7.886}
{0 CHEMBL103108,1 1.462,2 8,3 2.472,4 6.112,5 92.714,6 8.273,7 0.786,8 3.796,9 3.923,10 3.463,11 3.397,12 4.986,13 3.399,14 4.272,15 4.412,16 3.884,17 3.832,18 5.457,19 3.812,20 4.495,21 4.678,22 3.924,23 3.939,24 5.576,25 3.901,26 4.555,27 4.749,28 3.909,29 3.942,30 5.685,31 3.887,32 4.541,33 4.762,34 3.736,35 3.857,36 5.582,37 3.784,38 4.456,39 4.692,40 3.61,41 3.741,42 5.459,43 3.663,44 4.288,45 4.531,46 3.47,47 3.547,48 5.331,49 3.477,50 4.076,51 4.308,52 3.259,53 3.297,54 5.244,55 3.238,56 0.057,57 0.641,58 6.367,59 2.742,60 10.565,61 3.269,62 0.165,63 1.029,64 10.704,65 5.165,66 18.944,67 6.548,68 0.198,69 1.232,70 15.481,71 6.269,72 20.741,73 8.061,74 0.215,75 1.294,76 16.831,77 6.997,78 31.24,79 9.208,80 0.22,81 1.231,82 18.119,83 6.658,84 31.451,85 8.762,86 0.191,87 1.106,88 17.544,89 6.308,90 26.569,91 8.481,92 0.14,93 0.928,94 15.266,95 5.489,96 21.569,97 7.553,98 0.118,99 0.773,100 11.672,101 3.95,102 20.377,103 5.284,104 5,105 42,106 0.255,107 0.593,108 0.696,109 0.788,110 0.806,111 0.806,112 3.231,113 0.824,114 -5.02,115 -4.92,116 -4.61,119 47.4,122 1,139 8,140 4,144 1,146 1,147 1,149 1,155 1,157 2,158 2,159 2,166 15,169 2,170 1,172 3,173 4,175 1,178 21,182 2,185 2,186 1,187 2,188 1,189 19,192 1,193 5,195 3,196 3,197 1,198 4,200 2,201 13,205 1,207 7,211 1,212 5,214 1,215 7,218 1,221 8,226 5,229 3,231 3,234 8,239 6,243 6,246 6,251 8,256 8,260 2,265 6,270 6,273 734,274 16.585,275 16.585,276 16.585,277 16.585,278 16.585,279 14.012,280 16.173,281 9.598,282 16.868,283 13.875,284 13.875,285 13.875,286 13.875,287 13.875,288 10.007,289 20.357,290 4.581,291 14.369,292 3.786,293 1.852,294 1.263,295 0.737,296 0.632,297 0.632,298 3.946,300 1,301 1,302 1,303 437,304 2.236,306 70.102,307 136.367,310 201.206,314 1.083,315 18.076,316 1,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 51,327 192,328 4.708,329 3.716,330 7.154,331 4.397,332 3.406,333 4.562,334 1.36,335 12.562,336 3.381,337 4.531,338 3.124,339 6.539,340 4.03,341 3.084,342 4.281,344 10.328,345 2.912,346 3.793,347 2.632,348 6.021,349 3.42,350 2.463,351 3.298,353 8.4,354 2.366,355 3.736,356 2.361,357 5.71,358 3.278,359 2.278,360 3.232,362 7.367,363 2.278,364 3.453,365 2.227,366 5.135,367 3.021,368 2.094,369 2.796,371 6.058,372 1.934,373 3.341,374 2.056,375 5.025,376 2.881,377 1.951,378 2.634,380 5.824,381 1.81,382 2.98,383 1.611,384 4.759,385 2.522,386 1.537,387 2.191,389 4.652,390 1.516,391 2.881,392 1.478,393 3.85,394 2.405,395 1.434,396 2.042,398 3.121,399 1.387,400 2.781,401 1.38,402 3.728,403 2.317,404 1.317,405 1.908,407 3.032,408 1.317,409 2.5,410 1,411 3.65,412 2,413 1,414 1.5,415 2.449,416 1,417 2.198,418 0.856,419 3.541,420 1.685,421 0.778,422 1.078,423 2.166,424 0.705,425 1.834,426 0.596,427 3.396,428 1.456,429 0.476,430 0.632,431 1.269,432 0.466,433 1.114,434 -0.18,435 2.706,436 0.636,437 -0.278,438 -0.375,439 -0.765,440 -0.254,441 0.818,442 -0.338,443 2.53,444 0.419,445 -0.55,446 -0.656,448 -1.319,449 -0.498,450 0.752,451 -0.487,452 2.36,453 0.355,454 -0.57,455 -0.754,457 -1.497,458 -0.564,459 11.4,460 0.475,461 0.624,462 0.026,463 37.5,464 1.563,465 21,466 0.875,467 16.5,468 0.688,469 15.187,470 0.633,471 23.4,472 0.616,473 25.662,474 1.069,475 7.301,476 0.304,477 4.42,478 0.184,479 0.07,481 0.439,485 1.153,486 1.031,487 0.732,488 0.739,489 1.288,490 0.685,491 0.387,492 0.869,493 0.69,494 0.934,495 0.442,496 0.874,497 0.912,498 0.947,499 0.91,500 0.933,501 0.83,502 0.923,503 0.701,504 1.05,505 0.961,506 1.13,507 0.599,508 1.094,509 1.166,510 0.991,511 1.135,512 1.031,513 1.054,514 1.069,515 1.14,516 0.98,517 1.055,518 0.972,519 0.948,520 0.995,521 0.991,522 1.076,523 0.897,524 0.969,525 0.904,526 0.928,527 1.318,528 1.311,529 1.113,530 1.149,531 1.294,532 1.109,533 4,534 0.025,535 2.667,536 2.931,537 1.379,538 0.539,539 0.599,540 0.343,541 0.23,542 0.091,543 6103,544 15746,545 2.235,546 36.8,548 8,551 5,552 1,555 1.676,556 2.118,557 3.001,558 2.619,559 1,560 1,562 1,564 55.55,565 1.462,566 3.396,567 3.985,568 4.511,569 4.616,570 4.616,571 2.39,572 3.835,573 4.56,574 3.115,575 859.831,576 7.902,577 9537.16,578 1,579 1,581 1,582 199.421,583 1.325,584 4.53,585 0.143,586 0.012,587 0.063,588 0.068,589 0.034,590 0.016,591 0.02,592 0.013,593 0.012,594 0.009,595 0.39,596 0.17,597 0.88,598 0.49,599 110.24,600 -0.235,601 0.069,602 0.01,603 0.153,604 -0.337,605 0.126,606 0.427,607 0.181,608 0.087,609 -0.001,610 0.249,611 -0.008,612 0.019,613 0.074,614 -0.034,615 0.012,616 -0.056,617 -0.013,618 0.209,619 -0.058,620 -0.055,621 -0.171,622 0.253,623 -0.157,624 -0.177,625 -0.011,626 -0.168,627 -0.065,628 -0.171,629 -0.105,630 -0.171,631 -0.029,632 -0.048,633 0.018,634 -0.123,635 0.007,636 -0.033,637 -0.146,638 0.14,639 0.035,640 0.078,641 0.098,642 -0.178,643 -0.323,644 -0.1,645 -0.206,646 0.006,647 -0.154,648 1.537,649 1.956,650 0.917,651 16.25,652 1.004,653 1.122,654 3.788,655 14.347,656 0.713,657 3.367,658 3.761,659 4.143,660 4.543,661 4.828,662 5.011,663 5.22,664 5.429,665 5.489,666 5.58,667 4.939,668 0.69,669 314.38,670 3.367,671 4.949,672 5.855,673 6.788,674 7.715,675 8.656,676 9.59,677 10.535,678 11.473,679 12.418,680 15.8,684 2,688 1,690 3,694 2,695 8,696 3,697 1,700 7,702 22,711 2,718 38,719 22,720 2,721 28,723 42,724 18,725 17,726 4,727 8,729 5,730 9,737 1,741 17,742 1,743 1,753 1,754 1,757 14,758 5,759 5,760 6,763 1,764 6,769 0.4,776 1,780 2,781 3,784 3,802 2,810 24,811 2,820 1,836 11.333,837 6.767,838 5.056,839 2.154,840 4.45,841 1.553,842 1.116,843 2.7,844 12.492,845 3.689,846 4.398,847 5.091,848 5.8,849 6.397,850 6.812,851 7.332,852 7.857,853 8.192,854 8.615,855 1,856 43,857 8.809,859 3.936,860 7.66,861 16.859,863 14.641,865 2.16,866 51.833,870 105.94,871 98.967,872 132.936,877 98.967,878 105.94,879 132.936,882 141.604,883 52.685,884 31.243,885 6.371,886 105.94,888 105.94,889 231.903,893 107.655,897 21.013,898 158.819,899 50.357,901 105.94,902 132.936,903 98.967,906 105.94,907 23.157,908 75.81,909 16.786,910 116.151,911 105.94,912 132.936,913 98.967,915 0.593,916 0.362,917 0.222,918 0.126,919 25,920 10,921 0.024,922 1,923 3,924 1.273,925 3.559,926 223.64,927 0.273,928 22,929 98.039,933 13.523,934 4.792,935 1.888,936 1.123,937 116.151,938 16.764,939 12.836,940 3.298,943 6.152,945 82.58,946 337.843,947 39,956 38.145,957 42.651,958 0.279,959 0.647,960 0.759,961 0.86,962 0.88,963 0.88,964 4.945,965 1.434,966 5.866,967 4.652,968 4.443,969 5.085,970 1.328,971 6.774,972 4.377,973 6.193,974 1.317,975 7.476,976 3.121,977 4.111,978 4.956,979 1.06,980 7.828,981 4.014,982 7.532,983 1,984 9.188,985 3.032,986 6.116,987 7.393,988 1.579,989 11.023,990 5.997,991 8.911,992 0.778,993 10.962,994 2.449,995 6.635,996 8.109,997 1.679,998 12.948,999 6.497,1000 10.324,1001 0.476,1002 12.776,1003 2.166,1004 8.122,1005 10.005,1006 2.018,1007 15.667,1008 7.968,1009 11.763,1010 -0.278,1011 14.618,1012 1.269,1013 9.031,1014 11.13,1015 2.248,1016 17.949,1017 8.866,1018 13.222,1019 -0.55,1020 16.481,1021 -0.765,1022 10.327,1023 12.798,1024 2.549,1025 20.52,1026 10.15,1027 3.406,1028 -0.57,1029 18.361,1030 -1.319,1031 11.408,1032 14.123,1033 2.825,1034 22.944,1035 11.225,1036 3.084,1037 12.562,1038 20.253,1039 -1.497,1040 12.638,1041 15.692,1042 3.122,1043 25.472,1044 12.445,1045 2.463,1046 10.328,1047 22.156,1048 4.562,1049 13.792,1050 17.111,1051 3.415,1052 27.953,1053 13.595,1054 2.278,1055 8.4,1056 24.067,1057 4.281,1058 15.002,1059 18.639,1060 3.715,1061 30.473,1062 14.799,1063 2.094,1064 7.367,1065 25.985,1066 3.298,1067 16.187,1068 20.102,1069 4.015,1070 32.978,1071 15.98,1072 1.951,1073 6.058,1074 27.91,1075 3.232,1076 17.393,1077 21.614,1078 4.318,1079 35.498,1080 17.183,1081 1.537,1082 5.824,1083 29.84,1084 2.796,1085 18.592,1086 23.097,1087 4.622,1088 38.014,1089 18.379,1090 5612,1091 9136,1092 19.304,1093 27.08,1094 44.043,1095 43.638,1096 45.016,1097 43.686,1098 43.637,1099 60.304,1100 2.72,1101 134.455,1102 42.144,1103 5.515,1104 5.716,1105 6.836,1106 5.47,1107 5.406,1108 7.562,1109 2.04,1110 20.151,1111 5.381,1112 8.618,1113 1.573,1114 1.558,1115 1.608,1116 1.56,1117 1.558,1118 2.154,1119 0.097,1120 4.802,1121 1.505,1122 4.158,1123 4.196,1124 4.13,1125 4.085,1126 5.345,1127 4.087,1128 3.988,1129 4.027,1130 3.96,1131 3.835,1132 4.988,1133 3.868,1134 3.688,1135 3.723,1136 3.607,1137 3.631,1138 4.905,1139 3.621,1140 3.415,1141 3.498,1142 3.357,1143 3.206,1144 4.781,1145 3.228,1146 3.11,1147 3.215,1148 2.996,1149 2.914,1150 4.557,1151 2.93,1152 3.026,1153 3.106,1154 2.92,1155 2.84,1156 4.13,1157 2.833,1158 2.93,1159 2.985,1160 2.811,1161 2.715,1162 3.811,1163 2.756,1164 2.767,1165 2.837,1166 2.609,1167 2.654,1168 3.765,1169 2.635,1170 0.168,1171 0.133,1172 0.256,1173 0.157,1174 0.122,1175 4.708,1176 0.163,1177 3.716,1178 0.049,1179 7.154,1180 0.449,1181 4.397,1182 0.121,1183 3.406,1184 4.562,1185 1.36,1186 12.562,1187 3.381,1188 1.928,1189 1.908,1190 2.025,1191 2.009,1192 1.178,1193 1.999,1194 1.867,1195 1.84,1196 1.974,1197 1.984,1198 1.15,1199 1.975,1200 1.785,1201 1.737,1202 1.827,1203 1.941,1204 0.845,1205 1.94,1206 1.416,1207 1.36,1208 1.544,1209 1.638,1210 0.661,1211 1.614,1212 1.035,1213 0.948,1214 1.284,1215 1.367,1216 0.284,1217 1.355,1218 0.967,1219 0.924,1220 1.188,1221 1.242,1222 0.16,1223 1.218,1224 0.89,1225 0.814,1226 1.136,1227 1.11,1228 0.107,1229 1.128,1230 0.811,1231 0.692,1232 1.1,1233 1.094,1234 0.032,1235 1.12,1236 4.043,1238 5.416,1239 3.045,1240 6.993,1241 5.533,1242 8.666,1243 7.766,1244 10.389,1250 11.64,1256 0.021,1262 26.236,1263 55.55,1264 129.057,1265 151.421,1266 171.421,1267 175.421,1268 175.421,1269 27.064,1270 8.043,1271 106.5,1272 106.5,1273 28,1274 12.912,1275 4.524,1276 3.585,1277 30.106,1278 70,1279 71,1280 0.214,1281 157.957,1282 254.16,1283 377.176,1284 33689,1286 16.259,1287 0.677,1288 0.529,1289 16.259,1290 12.692,1291 11.72,1292 0.419,1293 0.275,1294 7.609,1295 11.404,1296 7.479,1297 6.157,1298 11.72,1299 7.69,1300 11.011,1301 0.262,1302 0.14,1303 11.011,1304 5.895,1305 9.829,1306 0.159,1307 0.073,1308 9.829,1309 4.522,1310 9.319,1311 0.1,1312 0.038,1313 9.319,1314 3.541,1315 7.793,1316 0.063,1317 0.02,1318 7.793,1319 2.529,1320 0.32,1321 72.532,1322 0.228,1323 22.578,1324 0.642,1325 140,1326 349.893,1327 150.602,1328 355.071,1329 511.71,1330 334,1331 174,1332 406.394,1333 184.602,1334 415.22,1335 619.97,1336 394,1337 4.526}
{0 CHEMBL103203,1 1.472,2 10.087,3 2.773,4 7.688,5 89.553,6 8.172,7 0.846,8 3.75,9 3.883,10 3.398,11 3.327,12 4.972,13 3.33,14 4.186,15 4.334,16 3.773,17 3.708,18 5.419,19 3.688,20 4.387,21 4.579,22 3.771,23 3.781,24 5.514,25 3.738,26 4.399,27 4.611,28 3.664,29 3.717,30 5.577,31 3.653,32 4.367,33 4.613,34 3.412,35 3.624,36 5.377,37 3.523,38 4.172,39 4.419,40 3.265,41 3.446,42 5.146,43 3.346,44 3.976,45 4.207,46 3.181,47 3.246,48 5.071,49 3.182,50 3.888,51 4.128,52 3.034,53 3.117,54 4.978,55 3.053,56 0.057,57 0.62,58 6.351,59 2.62,60 10.681,61 3.216,62 0.165,63 0.953,64 10.294,65 4.737,66 18.071,67 6.098,68 0.179,69 1.101,70 14.459,71 5.654,72 19.811,73 7.488,74 0.246,75 1.093,76 15.346,77 5.746,78 32.711,79 7.695,80 0.218,81 0.983,82 16.619,83 5.867,84 29.7,85 8.068,86 0.114,87 0.795,88 13.815,89 5.25,90 18.709,91 7.371,92 0.101,93 0.685,94 10.73,95 3.77,96 17.931,97 5.196,98 0.129,99 0.627,100 10.004,101 3.146,102 19.853,103 4.291,104 5,105 37,106 0.259,107 0.536,108 0.638,109 0.755,110 0.823,111 0.823,112 3.188,113 0.825,114 -5.05,115 -4.95,116 -4.64,119 45.9,139 9,140 3,144 1,146 1,147 1,149 1,155 1,157 2,158 2,159 2,166 13,169 2,170 1,172 3,173 4,175 1,178 16,182 2,185 2,186 1,187 2,188 1,189 14,192 1,193 3,195 3,196 3,197 1,198 2,200 2,201 10,205 1,207 4,211 1,212 2,214 1,215 8,218 1,221 5,226 4,229 4,231 3,234 5,239 6,241 1,243 4,246 4,251 5,256 3,260 4,265 3,270 2,273 670,274 15.74,275 15.74,276 15.74,277 15.74,278 15.74,279 13.184,280 6.325,281 9.247,282 16.023,283 12.864,284 12.864,285 12.864,286 12.864,287 12.864,288 9.072,289 7.5,290 4.429,291 13.361,292 3.738,293 2.167,294 1.589,295 0.926,296 0.541,297 0.541,298 3.889,300 1,301 1,302 1,303 516,304 2,306 46.467,307 203.938,310 91.211,314 1.656,315 15.795,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49,327 232,328 4.605,329 3.177,330 6.574,331 4.1,332 3.156,333 4.563,335 10.472,336 2.988,337 4.257,338 2.881,339 6.163,340 3.869,341 2.875,342 3.913,344 9.108,345 2.851,346 3.993,347 2.652,348 6.011,349 3.601,350 2.631,351 3.524,353 8.58,354 2.555,355 3.548,356 2.218,357 5.067,358 3.053,359 2.127,360 3,362 5.963,363 1.972,364 3.408,365 2.05,366 5.018,367 2.921,368 1.982,369 2.779,371 5.794,372 1.867,373 3.29,374 1.845,375 4.557,376 2.807,377 1.835,378 2.633,380 4.739,381 1.766,382 2.829,383 1.365,384 4.193,385 2.331,386 1.361,387 1.979,389 3.603,390 1.318,391 2.524,392 1.036,393 3.65,394 2.006,395 1.029,396 1.535,398 2.609,399 1.003,400 2.5,401 1,402 3.491,403 2,404 1,405 1.5,407 2.275,408 1,409 2.5,410 1,411 3.414,412 2,413 1,414 1.5,415 2.136,416 1,417 2.185,418 0.823,419 3.247,420 1.664,421 0.758,422 1.058,423 2.128,424 0.686,425 1.157,426 -0.177,427 2.73,428 0.713,429 -0.234,430 -0.315,431 -0.616,432 -0.218,433 1.004,434 -0.332,435 2.568,436 0.566,437 -0.387,438 -0.517,439 -0.971,440 -0.375,441 0.752,442 -0.368,443 2.36,444 0.355,445 -0.55,446 -0.658,448 -1.324,449 -0.498,450 0.595,451 -0.853,452 2.218,453 0.136,454 -0.858,455 -1.19,457 -1.952,458 -0.852,459 10.9,460 0.474,461 0.554,462 0.024,463 36.5,464 1.587,465 21,466 0.913,467 15.5,468 0.674,469 12.816,470 0.557,471 22.7,472 0.614,473 24.323,474 1.058,475 7.268,476 0.316,477 3.936,478 0.171,479 0.073,481 0.367,485 1.178,486 1.085,487 0.757,488 0.776,489 1.336,490 0.716,491 0.408,492 0.929,493 0.715,494 0.987,495 0.438,496 0.916,497 0.88,498 1.052,499 0.933,500 1.032,501 0.815,502 0.999,503 0.876,504 0.973,505 1.078,506 1.102,507 0.762,508 1.118,509 1.083,510 0.832,511 1.137,512 0.969,513 1.114,514 1.044,515 0.764,516 0.986,517 0.922,518 1.033,519 0.697,520 1.008,521 1.091,522 1.178,523 0.991,524 1.064,525 1.011,526 1.022,527 1.447,528 1.075,529 1.156,530 0.975,531 1.425,532 1.012,533 4.5,534 0.085,535 2.667,536 1.507,537 1.108,538 0.726,539 0.418,540 0.209,541 0.158,542 0.136,543 6201,544 16527,545 2.168,546 37.8,548 9,551 5,555 1.652,556 2.06,557 3.303,558 2.675,559 1,560 1,562 1,564 54.45,565 1.472,566 3.042,567 3.62,568 4.283,569 4.669,570 4.669,571 2.757,572 3.741,573 4.495,574 3.446,575 871.813,576 7.714,577 9858.65,578 1,579 1,580 1,581 1,582 192.75,583 1.302,584 4.469,585 0.173,586 0.007,587 0.072,588 0.042,589 0.036,590 0.03,591 0.02,592 0.011,593 0.01,594 0.01,595 0.41,596 0.17,597 1,598 0.503,599 107.891,600 -0.241,601 0.036,602 0.003,603 0.132,604 -0.383,605 0.11,606 0.455,607 0.142,608 0.083,609 -0.046,610 0.282,611 -0.041,612 0.066,613 -0.032,614 -0.038,615 -0.081,616 -0.014,617 -0.076,618 0.141,619 0.036,620 -0.141,621 -0.156,622 0.178,623 -0.185,624 -0.147,625 0.105,626 -0.127,627 0.029,628 -0.188,629 -0.031,630 0.018,631 -0.101,632 0.097,633 0.008,634 0.09,635 0.054,636 -0.104,637 -0.22,638 0.001,639 -0.091,640 0.007,641 -0.041,642 -0.297,643 -0.082,644 -0.146,645 -0.039,646 -0.27,647 -0.063,648 1.549,649 1.846,650 0.913,651 19.626,652 1.004,653 1.126,654 3.818,655 14.579,656 0.705,657 3.296,658 3.638,659 3.932,660 4.22,661 4.443,662 4.543,663 4.654,664 4.771,665 4.868,666 4.949,667 5.91,668 0.682,669 302.37,670 3.296,671 4.844,672 5.707,673 6.594,674 7.473,675 8.365,676 9.25,677 10.145,678 11.033,679 11.931,680 16.2,684 2,688 1,690 3,694 2,695 9,696 3,697 1,700 6,702 22,711 2,718 37,719 22,720 2,721 26,723 40,724 17,725 17,726 3,727 9,729 4,730 5,741 17,753 1,754 1,757 14,758 5,759 5,760 6,763 1,764 6,769 0.75,776 1,780 1,781 3,784 1,802 3,810 23,811 2,836 11.167,837 6.517,838 4.944,839 2.008,840 4.161,841 1.564,842 1.08,843 3.21,844 11.542,845 3.638,846 4.321,847 4.984,848 5.641,849 6.219,850 6.595,851 7.064,852 7.532,853 7.913,854 8.327,855 0.857,856 36,857 8.403,859 3.613,860 7.71,861 15.925,863 13.124,865 2.21,866 50.833,870 105.94,871 105.257,872 132.936,877 105.257,878 105.94,879 132.936,882 151.081,883 52.685,884 28.058,885 6.371,886 105.94,888 105.94,889 238.194,893 107.655,897 21.013,898 165.109,899 50.357,901 105.94,902 132.936,903 105.257,906 105.94,907 19.971,908 85.286,909 16.786,910 116.151,911 105.94,912 132.936,913 105.257,915 0.586,916 0.344,917 0.191,918 0.103,919 20,920 8,921 0.05,922 2,923 1,924 1.095,925 3.619,926 189.136,927 0.095,928 21,929 96.042,933 13.733,934 5.376,935 2.515,936 1.068,937 116.151,938 18.333,939 12.468,940 3.15,943 4.368,945 82.58,946 344.134,947 37,956 37.145,957 41.651,958 0.282,959 0.584,960 0.695,961 0.822,962 0.896,963 0.896,964 4.856,965 1.029,966 5.694,967 3.603,968 4.317,969 5.007,971 6.512,972 4.243,973 6.092,974 1,975 7.253,976 2.609,977 3.892,978 4.808,980 7.391,981 3.769,982 7.411,983 1,984 8.912,985 2.275,986 5.916,987 7.3,989 10.499,990 5.77,991 8.768,992 0.758,993 10.627,994 2.136,995 6.312,996 7.947,998 12.206,999 6.116,1000 10.156,1001 -0.234,1002 12.38,1003 2.128,1004 7.802,1005 9.881,1007 14.811,1008 7.584,1009 11.567,1010 -0.387,1011 14.158,1012 -0.616,1013 8.579,1014 10.948,1016 16.859,1017 8.311,1018 12.997,1019 -0.55,1020 15.954,1021 -0.971,1022 9.849,1023 12.636,1025 19.284,1026 9.553,1027 3.156,1028 -0.858,1029 17.763,1030 -1.324,1031 10.81,1032 13.922,1034 21.481,1035 10.462,1036 2.875,1037 10.472,1038 19.582,1039 -1.952,1040 11.988,1041 15.501,1043 23.84,1044 11.606,1045 2.631,1046 9.108,1047 21.409,1048 4.563,1049 13.035,1050 16.898,1052 26.106,1053 12.601,1054 2.127,1055 8.58,1056 23.242,1057 3.913,1058 14.178,1059 18.43,1061 28.442,1062 13.703,1063 1.982,1064 5.963,1065 25.08,1066 3.524,1067 15.268,1068 19.884,1070 30.741,1071 14.74,1072 1.835,1073 5.794,1074 26.922,1075 3,1076 16.399,1077 21.399,1079 33.071,1080 15.825,1081 1.361,1082 4.739,1083 28.768,1084 2.779,1085 17.509,1086 22.881,1088 35.388,1089 16.881,1090 5786,1091 9591,1092 17.8,1093 26.08,1094 39.971,1095 39.416,1096 40.152,1097 39.552,1098 39.506,1099 55.969,1101 114.809,1102 38.012,1103 5.289,1104 5.177,1105 6.376,1106 5.174,1107 5.156,1108 7.563,1110 17.413,1111 4.988,1112 8.55,1113 1.537,1114 1.516,1115 1.544,1116 1.521,1117 1.519,1118 2.153,1120 4.416,1121 1.462,1122 4.115,1123 4.164,1124 4.093,1125 3.997,1126 5.346,1127 4.007,1128 3.952,1129 3.983,1130 3.902,1131 3.847,1132 4.989,1133 3.865,1134 3.727,1135 3.763,1136 3.657,1137 3.652,1138 4.904,1139 3.65,1140 3.351,1141 3.439,1142 3.292,1143 3.099,1144 4.786,1145 3.137,1146 3.077,1147 3.199,1148 2.962,1149 2.822,1150 4.552,1151 2.835,1152 2.902,1153 2.955,1154 2.811,1155 2.735,1156 4.107,1157 2.742,1158 2.854,1159 2.925,1160 2.687,1161 2.735,1162 3.803,1163 2.715,1164 2.854,1165 2.925,1166 2.687,1167 2.708,1168 3.674,1169 2.715,1170 0.177,1171 0.122,1172 0.253,1173 0.158,1174 0.121,1175 4.605,1176 0.176,1177 3.177,1179 6.574,1180 0.403,1181 4.1,1182 0.115,1183 3.156,1184 4.563,1186 10.472,1187 2.988,1188 1.995,1189 1.973,1190 2.091,1191 2.06,1192 1.199,1193 2.071,1194 1.796,1195 1.755,1196 1.905,1197 2.003,1198 0.973,1199 1.962,1200 1.766,1201 1.728,1202 1.823,1203 1.87,1204 0.838,1205 1.879,1206 1.291,1207 1.23,1208 1.403,1209 1.553,1210 0.416,1211 1.52,1212 0.991,1213 0.905,1214 1.238,1215 1.332,1216 0.218,1217 1.314,1218 0.886,1219 0.821,1220 1.181,1221 1.241,1222 0.218,1223 1.216,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1228 0.134,1229 1.107,1230 0.859,1231 0.786,1232 1.123,1233 1.062,1235 1.107,1236 3.97,1238 5.303,1239 2.398,1240 6.834,1241 4.727,1242 8.451,1243 6.862,1244 10.112,1250 11.447,1262 25.236,1263 54.45,1264 112.572,1265 133.956,1266 158.485,1267 172.75,1268 172.75,1269 24.91,1270 7.381,1271 106.5,1272 106.5,1273 23,1274 12.456,1275 4.524,1276 3.585,1277 32.055,1278 82,1279 77,1280 0.195,1281 155.758,1282 249.22,1283 371.811,1284 15507,1286 15.811,1287 0.687,1288 0.53,1289 15.811,1290 12.192,1291 11.204,1292 0.431,1293 0.275,1294 7.07,1295 10.887,1296 6.94,1297 5.767,1298 11.204,1299 7.151,1300 10.282,1301 0.278,1302 0.14,1303 10.282,1304 5.194,1305 8.796,1306 0.176,1307 0.073,1308 8.796,1309 3.662,1310 7.671,1311 0.114,1312 0.038,1313 7.671,1314 2.524,1315 6.023,1316 0.072,1317 0.02,1318 6.023,1319 1.658,1320 0.306,1321 69.431,1322 0.237,1323 22.652,1324 0.531,1325 126,1326 333.893,1327 136.602,1328 339.283,1329 482.52,1330 318,1331 150,1332 378.394,1333 160.602,1334 387.225,1335 568.68,1336 366,1337 4.521}
{0 CHEMBL103474,1 1.758,2 8.478,3 1.069,4 1.143,5 85.249,6 8.112,7 0.64,8 3.815,9 3.937,10 3.436,11 3.193,12 5.068,13 3.249,14 4.287,15 4.452,16 3.794,17 3.527,18 5.515,19 3.581,20 4.324,21 4.458,22 3.883,23 3.638,24 5.572,25 3.692,26 4.471,27 4.612,28 3.956,29 3.733,30 5.78,31 3.738,32 4.627,33 4.838,34 3.797,35 3.718,36 5.728,37 3.705,38 4.598,39 4.804,40 3.621,41 3.629,42 5.681,43 3.599,44 4.418,45 4.633,46 3.533,47 3.521,48 5.54,49 3.453,50 4.427,51 4.727,52 3.217,53 3.303,54 5.466,55 3.207,56 0.168,57 0.602,58 7.384,59 2.67,60 13.207,61 3.487,62 0.521,63 0.858,64 14.948,65 4.645,66 35.357,67 5.847,68 0.4,69 0.971,70 13.221,71 4.365,72 25.941,73 5.56,74 0.701,75 1.054,76 15.668,77 5.929,78 36.662,79 7.938,80 0.592,81 1.051,82 21.837,83 6.045,84 44.446,85 8.731,86 0.944,87 0.932,88 23.082,89 5.724,90 55.389,91 7.754,92 0.457,93 0.849,94 17.457,95 5.756,96 32.211,97 8.641,98 0.67,99 0.726,100 21.886,101 4.561,102 54.035,103 7.991,104 35,105 36,106 0.313,107 0.644,108 0.704,109 0.735,110 0.747,111 0.785,112 3.19,113 0.799,114 -2.55,115 -2.57,116 -2.51,119 35.9,124 3,139 2,140 1,141 3,143 1,144 1,147 1,155 2,157 2,158 2,159 2,169 1,170 7,172 3,173 5,175 1,178 3,181 2,184 1,185 1,192 5,193 6,195 1,196 4,197 3,198 2,200 4,205 1,207 1,209 1,210 1,212 1,218 1,220 3,221 2,224 1,226 1,231 1,233 2,234 2,236 2,237 2,239 2,243 2,245 1,248 2,249 2,251 2,256 2,259 1,262 1,263 1,273 684,274 15.574,275 15.574,276 15.574,277 15.574,278 15.574,279 13.706,280 19.264,281 8.877,282 16.379,283 12.152,284 12.152,285 12.152,286 12.152,287 12.152,288 9.075,289 24.942,290 3.961,291 13.184,292 3.527,293 1.671,294 1.334,295 1.161,296 1.09,297 0.879,298 3.865,301 1,302 1,303 410,304 2.739,306 43.116,307 129.988,310 85.7,314 1.195,315 26.016,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 52,327 195,328 4.652,329 3.373,330 6.831,331 4.198,332 3.245,333 4.584,334 0.86,335 11.359,336 3.091,337 4.41,338 3.098,339 6.479,340 3.944,341 2.996,342 4.139,343 0.86,344 10.092,345 2.835,346 3.749,347 2.682,348 5.453,349 3.319,350 2.389,351 3.202,352 0.86,353 7.141,354 2.218,355 3.501,356 2.555,357 5.19,358 3.046,359 2.134,360 2.855,362 6.118,363 1.942,364 3.389,365 2.332,366 5.123,367 2.972,368 2.061,369 2.744,371 6.102,372 1.867,373 3.355,374 2.127,375 5.026,376 2.906,377 1.989,378 2.604,380 5.834,381 1.821,382 2.98,383 1.817,384 4.806,385 2.532,386 1.622,387 2.148,389 4.911,390 1.468,391 2.196,392 1.199,393 3.66,394 1.686,395 0.787,396 1.077,398 2.171,399 0.707,400 1.778,401 0.972,402 3.481,403 1.45,404 0.588,405 0.672,407 1.144,408 0.502,409 1.599,410 0.916,411 2.859,412 1.337,413 0.48,414 0.532,415 0.701,416 0.409,417 1.576,418 0.821,419 2.735,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.117,426 0.015,427 2.691,428 0.654,429 -0.249,430 -0.321,431 -0.573,432 -0.224,433 0.838,434 -0.234,435 2.361,436 0.477,437 -0.438,438 -0.541,439 -1.017,440 -0.397,441 0.752,442 -0.339,443 2.356,444 0.355,445 -0.551,446 -0.659,448 -1.326,449 -0.498,450 0.65,451 -0.343,452 2.294,453 0.24,454 -0.694,455 -0.878,457 -1.641,458 -0.637,459 10.4,460 0.452,461 0.606,462 0.026,463 33,464 1.435,465 16.5,466 0.717,467 16.5,468 0.717,469 15.518,470 0.675,471 25.6,472 0.656,473 24.874,474 1.081,475 6.882,476 0.299,477 4.184,478 0.182,479 0.221,481 0.433,485 1.082,486 1.508,487 0.757,488 1.194,489 1.229,490 0.915,491 1.27,492 0.794,493 0.683,494 0.653,495 0.821,496 0.565,497 1.235,498 1.258,499 0.886,500 1.048,501 1.057,502 0.895,503 0.419,504 1.229,505 0.845,506 1.346,507 0.489,508 1.242,509 1.167,510 1.124,511 1.066,512 1.148,513 1.056,514 1.078,515 1.628,516 0.736,517 1.35,518 0.772,519 1.265,520 0.979,521 0.569,522 1.392,523 0.948,524 1.484,525 0.586,526 1.358,527 0.844,528 0.747,529 0.948,530 0.706,531 0.931,532 0.813,533 5.5,534 0.037,535 2.444,536 2.569,537 1.739,538 1.212,539 0.503,540 0.432,541 0.26,542 0.08,543 4754,544 15441,545 2.016,546 41,548 11,551 5,555 1.664,556 1.84,557 3.04,558 2.803,559 1,560 1,562 1,564 68.563,565 1.758,566 3.615,567 3.951,568 4.124,569 4.195,570 4.407,571 2.475,572 3.741,573 4.495,574 3.158,575 798.849,576 7.777,577 8740.97,578 1,579 1,582 206.131,583 1.538,584 4.428,585 0.22,586 0.009,587 0.068,588 0.066,589 0.045,590 0.037,591 0.019,592 0.018,593 0.015,594 0.01,595 0.506,596 0.17,597 1,598 1.059,599 104.937,600 -0.204,601 -0.248,602 0.025,603 -0.115,604 -0.315,605 0.013,606 -0.099,607 0.272,608 0.248,609 0.362,610 0.111,611 0.37,612 -0.226,613 -0.037,614 -0.062,615 -0.021,616 -0.186,617 0.001,618 0.53,619 -0.064,620 -0.004,621 -0.286,622 0.357,623 -0.297,624 -0.196,625 -0.129,626 -0.11,627 -0.17,628 -0.131,629 -0.112,630 -0.31,631 0.176,632 -0.327,633 0.174,634 -0.298,635 -0.051,636 0.215,637 -0.42,638 -0.011,639 -0.432,640 0.235,641 -0.316,642 0.034,643 0.062,644 0.145,645 0.179,646 0.114,647 0.198,648 1.598,649 1.923,650 0.652,651 16.227,652 1.026,653 1.146,654 1.318,655 1.737,656 0.646,657 3.258,658 3.611,659 3.932,660 4.263,661 4.489,662 4.625,663 4.727,664 4.796,665 4.804,666 4.779,667 5.019,668 0.639,669 316.36,670 3.258,671 4.812,672 5.687,673 6.597,674 7.494,675 8.411,676 9.315,677 10.234,678 11.141,679 12.061,680 15.4,684 2,688 1,690 3,694 2,695 2,696 3,697 1,700 7,702 16,711 2,716 3,718 39,719 16,720 1,721 25,723 41,724 14,725 11,726 4,727 2,729 3,730 4,741 11,742 3,753 1,754 1,757 16,758 8,759 5,760 9,763 1,764 6,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,806 3,810 23,811 2,818 3,829 7.7,834 3,836 12.5,837 7.933,838 5.222,839 1.863,840 3.259,841 1.461,842 0.984,843 4.147,844 10.33,845 3.526,846 4.216,847 4.893,848 5.573,849 6.136,850 6.576,851 7.006,852 7.435,853 7.748,854 8.064,855 0.833,856 39,857 8.386,859 3.489,860 7.891,861 15.475,863 12.005,865 2.391,866 55,870 129.482,871 80.932,872 132.936,874 33,877 80.932,878 162.482,879 132.936,880 32.649,882 84.747,883 54.4,884 70.845,885 4.227,886 129.482,888 129.482,889 213.868,890 33,893 129.482,894 33,897 24.872,898 138.64,899 50.357,901 129.482,902 165.936,903 80.932,906 129.482,907 29.33,908 51.602,909 16.786,910 149.151,911 129.482,912 165.936,913 80.932,915 0.579,916 0.361,917 0.211,918 0.12,919 18,920 9,921 0.098,922 4,923 1,924 1.133,925 3.322,926 191.439,927 0.133,928 15,929 96.042,933 15.641,934 6.098,935 2.73,936 0.86,937 149.151,938 3.461,939 12.425,940 3.057,943 3.011,945 82.58,946 376.35,947 33,956 40.011,957 44.694,958 0.333,959 0.684,960 0.748,961 0.78,962 0.794,963 0.834,964 4.771,965 0.787,966 5.7,967 4.911,968 4.29,969 4.902,970 1.693,971 6.572,972 4.144,973 6.021,974 0.588,975 7.298,976 2.171,977 4.007,978 4.913,980 7.576,981 3.823,982 7.366,983 0.48,984 8.991,985 1.144,986 5.943,987 7.24,988 1.454,989 10.704,990 5.688,991 8.75,992 0.396,993 10.738,994 0.701,995 6.447,996 8.044,998 12.519,999 6.155,1000 10.163,1001 -0.249,1002 12.521,1003 0.603,1004 7.883,1005 9.876,1006 1.232,1007 15.181,1008 7.539,1009 11.597,1010 -0.438,1011 14.329,1012 -0.573,1013 8.748,1014 11.05,1016 17.346,1017 8.363,1018 13.049,1019 -0.551,1020 16.156,1021 -1.017,1022 10.002,1023 12.688,1024 1.028,1025 19.846,1026 9.571,1027 3.245,1028 -0.694,1029 17.998,1030 -1.326,1031 11.032,1032 14.04,1034 22.156,1035 10.556,1036 2.996,1037 11.359,1038 19.853,1039 -1.641,1040 12.219,1041 15.597,1042 0.845,1043 24.597,1044 11.698,1045 2.389,1046 10.092,1047 21.718,1048 4.584,1049 13.321,1050 17.032,1052 26.967,1053 12.753,1054 2.134,1055 7.141,1056 23.592,1057 4.139,1058 14.486,1059 18.556,1060 0.684,1061 29.388,1062 13.873,1063 2.061,1064 6.118,1065 25.472,1066 3.202,1067 15.62,1068 20.03,1070 31.783,1071 14.959,1072 1.989,1073 6.102,1074 27.357,1075 2.855,1076 16.78,1077 21.543,1078 0.546,1079 34.199,1080 16.073,1081 1.622,1082 5.834,1083 29.248,1084 2.744,1085 17.929,1086 23.035,1088 36.606,1089 17.173,1090 4786,1091 8745,1092 16.126,1093 25.205,1094 37.329,1095 38.54,1096 40.254,1097 37.255,1098 37.375,1099 50.016,1100 5.16,1101 112.352,1102 34.403,1103 5.354,1104 5.373,1105 6.383,1106 5.271,1107 5.245,1108 7.584,1109 1.72,1110 18.424,1111 5.091,1112 13.304,1113 1.493,1114 1.542,1115 1.61,1116 1.49,1117 1.495,1118 2.001,1119 0.206,1120 4.494,1121 1.376,1122 4.11,1123 4.158,1124 4.095,1125 3.95,1126 5.347,1127 3.98,1128 3.868,1129 3.885,1130 3.837,1131 3.735,1132 5.003,1133 3.759,1134 3.39,1135 3.468,1136 3.328,1137 3.121,1138 4.968,1139 3.164,1140 3.303,1141 3.355,1142 3.144,1143 3.006,1144 4.793,1145 3.026,1146 3.271,1147 3.337,1148 3.111,1149 2.955,1150 4.58,1151 2.979,1152 3.101,1153 3.215,1154 2.969,1155 2.837,1156 4.566,1157 2.822,1158 3.086,1159 3.192,1160 2.838,1161 2.755,1162 4.137,1163 2.795,1164 2.704,1165 2.776,1166 2.551,1167 2.562,1168 3.959,1169 2.537,1170 0.186,1171 0.135,1172 0.273,1173 0.168,1174 0.13,1175 4.652,1176 0.183,1177 3.373,1178 0.034,1179 6.831,1180 0.454,1181 4.198,1182 0.124,1183 3.245,1184 4.584,1185 0.86,1186 11.359,1187 3.091,1188 1.888,1189 1.879,1190 1.953,1191 2.02,1192 1.094,1193 1.994,1194 1.781,1195 1.733,1196 1.819,1197 1.992,1198 0.819,1199 1.951,1200 1.333,1201 1.278,1202 1.592,1203 1.621,1204 0.589,1205 1.595,1206 1.227,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.19,1213 1.109,1214 1.526,1215 1.53,1216 0.551,1217 1.529,1218 1.091,1219 0.992,1220 1.389,1221 1.384,1222 0.388,1223 1.412,1224 0.998,1225 0.897,1226 1.267,1227 1.369,1228 0.09,1229 1.358,1230 0.804,1231 0.698,1232 1.074,1233 1.174,1235 1.154,1236 3.932,1238 5.273,1239 2.398,1240 6.819,1241 4.727,1242 8.465,1243 6.862,1244 10.166,1246 4.66,1250 11.446,1254 16.08,1262 24.907,1263 68.563,1264 140.972,1265 154.092,1266 160.846,1267 163.601,1268 171.866,1269 32.465,1270 7.071,1271 134.19,1272 134.19,1273 17,1274 12.572,1275 4.087,1276 3.17,1277 36.554,1278 68,1279 71,1280 0.271,1281 155.146,1282 254.87,1283 370.316,1284 9434,1286 16.56,1287 0.72,1288 0.56,1289 16.56,1290 12.876,1291 11.066,1292 0.443,1293 0.266,1294 6.455,1295 10.286,1296 6.246,1297 5.243,1298 11.066,1299 6.661,1300 9.869,1301 0.274,1302 0.129,1303 9.869,1304 4.657,1305 8.527,1306 0.171,1307 0.067,1308 8.527,1309 3.341,1310 7.539,1311 0.108,1312 0.033,1313 7.539,1314 2.297,1315 6.041,1316 0.069,1317 0.017,1318 6.041,1319 1.504,1320 0.406,1321 71.955,1322 0.249,1323 21.895,1324 0.805,1325 122,1326 433.099,1327 141.237,1328 406.54,1329 560.05,1330 382,1331 147,1332 420.031,1333 166.24,1334 424.68,1335 622.47,1336 394,1337 5.728}
{0 CHEMBL103558,1 1.603,2 14.771,3 3.704,4 13.719,5 139.384,6 7.431,7 0.474,8 4.254,9 4.389,10 3.805,11 3.758,12 5.41,13 3.743,14 4.781,15 4.963,16 4.162,17 4.162,18 5.97,19 4.119,20 5.056,21 5.277,22 4.269,23 4.324,24 6.111,25 4.264,26 5.136,27 5.35,28 4.28,29 4.325,30 6.325,31 4.266,32 5.143,33 5.365,34 4.19,35 4.315,36 6.294,37 4.244,38 5.128,39 5.37,40 4.1,41 4.27,42 6.202,43 4.17,44 5.049,45 5.301,46 4.09,47 4.125,48 6.297,49 4.04,50 4.885,51 5.119,52 3.839,53 3.923,54 6.08,55 3.858,56 0.173,57 0.999,58 13.258,59 5.274,60 17.42,61 7.35,62 0.395,63 1.553,64 24.432,65 9.413,66 58.482,67 13.215,68 0.336,69 1.898,70 34.037,71 11.747,72 46.138,73 17.224,74 0.603,75 1.944,76 37.86,77 12.224,78 90.665,79 17.556,80 0.602,81 1.93,82 38.606,83 11.817,84 101.358,85 17.103,86 0.554,87 1.842,88 38.74,89 12.863,90 88.651,91 18.619,92 0.791,93 1.637,94 36.68,95 11.463,96 111.06,97 17.027,98 0.583,99 1.337,100 31.433,101 8.936,102 94.468,103 12.701,104 41,105 53,106 0.254,107 0.605,108 0.772,109 0.834,110 0.841,111 0.841,112 3.588,113 0.924,114 -4.99,115 -4.89,116 -4.59,119 39.1,120 1,121 4,125 3,139 7,140 4,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 13,169 3,170 8,172 3,173 3,175 3,178 12,180 1,182 12,185 1,187 5,189 7,191 1,193 17,195 1,196 3,197 1,198 8,200 2,201 6,204 5,205 1,207 11,212 6,215 12,218 4,220 2,221 5,223 1,224 1,226 2,229 14,231 2,233 4,234 9,236 2,237 6,238 1,239 2,240 1,241 12,243 1,246 7,248 1,249 1,251 1,254 7,260 6,262 2,263 2,264 1,265 3,267 1,268 4,270 1,273 2351,274 23.507,275 23.507,276 23.507,277 23.507,278 23.507,279 20.922,280 30.72,281 13.751,282 23.883,283 18.655,284 18.655,285 18.655,286 18.655,287 18.655,288 14.618,289 39.567,290 6.401,291 19.247,292 4.397,293 2.186,294 1.135,295 0.742,296 0.699,297 0.699,298 4.28,302 1,303 1107,304 3.742,307 530.39,314 2.292,315 43.879,318 1,319 0.67,320 1,321 0.8,322 0.5,323 0.83,324 0.5,325 0.76,326 76.5,327 517,328 4.557,329 3.806,330 6.777,331 4.163,332 3.186,333 4.297,334 2.612,335 11.103,336 3.116,337 4.341,338 3.692,339 6.403,340 3.96,341 2.975,342 4.023,343 1.2,344 9.757,345 2.929,346 4.261,347 3.232,348 6.391,349 3.891,350 2.927,351 3.796,352 0.657,353 9.667,354 2.819,355 3.817,356 2.845,357 5.417,358 3.491,359 2.51,360 3.177,361 0.293,362 7.106,363 2.461,364 3.707,365 2.633,366 5.325,367 3.23,368 2.291,369 3.155,371 6.7,372 2.153,373 3.492,374 2.409,375 5.14,376 3.101,377 2.127,378 2.832,380 6.131,381 2.067,382 3.302,383 2.337,384 5.038,385 2.939,386 1.989,387 2.549,389 5.704,390 1.889,391 3.285,392 2.223,393 4.892,394 2.909,395 1.943,396 2.418,398 5.273,399 1.868,400 3.11,401 1.96,402 4.77,403 2.702,404 1.749,405 2.319,407 4.998,408 1.659,409 2.703,410 1.85,411 3.901,412 2.488,413 1.493,414 1.684,415 3.318,416 1.482,417 2.609,418 1.411,419 3.628,420 2,421 1,422 1.597,423 2.425,424 1,425 2.5,426 1.388,427 3.414,428 2,429 1,430 1.5,431 2.275,432 1,433 2.136,434 1.077,435 3.407,436 1.984,437 1,438 1.033,439 2.136,440 0.983,441 2,442 1,443 3.338,444 1.881,445 0.89,446 1,448 2.101,449 0.874,450 1.961,451 1,452 3.247,453 1.671,454 0.678,455 0.826,457 1.611,458 0.669,459 16.3,460 0.466,461 0.891,462 0.025,463 46.75,464 1.336,465 24,466 0.686,467 22.75,468 0.65,469 29.999,470 0.857,471 38.3,472 0.598,473 39.851,474 1.139,475 8.887,476 0.254,477 7.98,478 0.228,479 0.141,481 0.356,485 0.623,486 1.266,487 0.801,488 1.027,489 0.627,490 0.948,491 0.499,492 1.071,493 0.794,494 1.039,495 0.377,496 0.977,497 0.75,498 1.142,499 0.847,500 1.052,501 0.576,502 0.97,503 1.088,504 1.137,505 1.017,506 1.096,507 1.082,508 1.056,509 1.319,510 1.055,511 1.168,512 1.034,513 1.313,514 1.063,515 0.963,516 1.019,517 1.017,518 1.079,519 1.072,520 1.067,521 0.685,522 0.888,523 0.843,524 0.991,525 0.754,526 0.958,527 1.647,528 0.969,529 1.153,530 0.972,531 1.725,532 0.986,533 7,534 0.206,535 4.222,536 3,537 2.111,538 1.368,539 1.051,540 0.575,541 0.381,542 0.282,543 19342,544 51508,545 2.041,546 45.3,547 5,548 13,551 5,552 2,553 4,555 1.764,556 1.892,557 3.788,558 2.304,564 102.616,565 1.603,566 3.814,567 4.865,568 5.258,569 5.301,570 5.301,571 3.212,572 4.786,573 5.1,574 4.001,575 2380.39,576 8.934,577 38487.3,582 384,583 1.472,584 5.05,585 0.184,586 0.006,587 0.08,588 0.052,589 0.038,590 0.027,591 0.023,592 0.013,593 0.011,594 0.009,595 0.443,597 0.75,598 0.819,599 192.008,600 0.074,601 0.007,602 0.034,603 0.067,604 -0.047,605 0.047,606 0.221,607 0.076,608 0.091,609 0.028,610 0.22,611 0.032,612 -0.009,613 -0.08,614 0.08,615 -0.024,616 0.042,617 0.039,618 -0.036,619 -0.108,620 -0.049,621 -0.097,622 -0.018,623 -0.081,624 -0.242,625 -0.027,626 -0.191,627 -0.054,628 -0.192,629 -0.1,630 -0.045,631 -0.053,632 -0.042,633 -0.072,634 -0.117,635 -0.062,636 0.33,637 0.058,638 0.163,639 -0.021,640 0.246,641 0.027,642 -0.246,643 -0.041,644 -0.11,645 -0.023,646 -0.181,647 -0.04,648 2.438,649 5.658,650 0.686,651 42.539,652 1.006,653 1.136,654 3.762,655 14.15,656 0.653,657 3.664,658 3.989,659 4.263,660 4.511,661 4.718,662 4.762,663 4.875,664 4.92,665 5.017,666 5.069,667 8.51,668 0.626,669 475.61,670 3.664,671 5.209,672 6.061,673 6.94,674 7.808,675 8.69,676 9.563,677 10.448,678 11.324,679 12.21,680 10.9,684 2,685 1,687 1,690 2,691 1,695 7,696 2,700 9,702 18,708 1,711 2,712 1,713 1,718 64,719 21,720 2,721 38,723 67,724 25,725 16,726 5,727 7,728 1,729 4,730 4,734 1,736 3,739 4,741 17,742 8,744 3,746 1,748 3,751 1,757 29,758 9,759 5,760 10,764 7,769 1,770 3,776 1,781 4,802 4,806 1,810 35,811 2,816 7,817 1,821 1,829 4.7,832 1,835 2,836 18.5,837 11.55,838 7.778,839 4.025,840 3.396,841 1.425,842 0.986,843 7.714,844 11.388,845 3.932,846 4.527,847 5.08,848 5.627,849 6.153,850 6.419,851 6.785,852 7.061,853 7.449,854 7.738,855 0.9,856 58,857 12.985,859 5.586,860 7.919,861 24.454,863 20.038,865 2.419,866 84.667,870 282.506,871 121.558,872 126.171,874 75.892,877 121.558,878 358.398,879 126.171,880 14.495,881 19.58,882 132.128,883 81.431,884 21.013,885 4.227,886 282.506,887 50.747,888 282.506,889 247.729,890 75.892,893 235.422,894 72.229,895 50.747,897 33.061,898 157.416,899 57.252,901 282.506,902 202.062,903 121.558,906 282.506,907 46.399,908 83.953,909 18.011,910 175.257,911 282.506,912 202.062,913 121.558,915 0.582,916 0.347,917 0.189,918 0.102,919 24,920 12,921 0.104,922 7,924 1,925 4.518,926 324.493,928 24,929 169.525,933 24.739,934 10.913,935 5.653,937 196.392,938 12.21,939 8.238,943 3.83,945 83.805,946 606.127,947 50,949 -0.438,951 36.3,954 0.049,956 64.414,957 72.684,958 0.267,959 0.636,960 0.811,961 0.876,962 0.883,963 0.883,964 5.173,965 1.943,966 6.052,967 5.704,968 4.673,969 5.215,970 2.769,971 6.87,972 4.615,973 6.383,974 1.749,975 7.62,976 5.273,977 4.29,978 5.103,979 2.396,980 7.806,981 4.2,982 7.698,983 1.493,984 9.289,985 4.998,986 6.275,987 7.409,988 4.214,989 10.905,990 6.161,991 9.047,992 1,993 11.017,994 3.318,995 6.698,996 8.089,997 4.517,998 12.67,999 6.561,1000 10.428,1001 1,1002 12.783,1003 2.425,1004 8.161,1005 9.896,1006 5.961,1007 15.294,1008 8.002,1009 11.83,1010 1,1011 14.576,1012 2.275,1013 8.956,1014 10.939,1015 6.558,1016 17.406,1017 8.777,1018 13.249,1019 0.89,1020 16.389,1021 2.136,1022 10.213,1023 12.544,1024 7.797,1025 19.865,1026 10.011,1027 3.186,1028 0.678,1029 18.217,1030 2.101,1031 11.185,1032 13.769,1033 8.549,1034 22.127,1035 10.963,1036 2.975,1037 11.103,1038 20.057,1039 1.611,1040 12.358,1041 15.282,1042 9.67,1043 24.528,1044 12.115,1045 2.927,1046 9.757,1047 21.906,1048 4.297,1049 13.413,1050 16.604,1051 10.509,1052 26.854,1053 13.15,1054 2.51,1055 9.667,1056 23.763,1057 4.023,1058 14.555,1059 18.074,1060 11.563,1061 29.238,1062 14.271,1063 2.291,1064 7.106,1065 25.627,1066 3.796,1067 15.649,1068 19.447,1069 12.452,1070 31.594,1071 15.344,1072 2.127,1073 6.7,1074 27.495,1075 3.177,1076 16.781,1077 20.897,1078 13.468,1079 33.975,1080 16.455,1081 1.989,1082 6.131,1083 29.368,1084 3.155,1085 17.894,1086 22.298,1087 14.386,1088 36.346,1089 17.547,1090 18484,1091 30421,1092 24.967,1093 41.779,1094 56.872,1095 59.213,1096 59.226,1097 56.73,1098 56.656,1099 73.727,1100 9.525,1101 162.819,1102 55.047,1103 5.557,1104 5.806,1105 6.579,1106 5.233,1107 5.186,1108 7.297,1109 4.612,1110 17.995,1111 5.116,1112 19.756,1113 1.497,1114 1.558,1115 1.559,1116 1.493,1117 1.491,1118 1.94,1119 0.251,1120 4.285,1121 1.449,1122 4.068,1123 4.1,1124 4.034,1125 3.962,1126 7.815,1127 3.972,1128 3.953,1129 3.986,1130 3.898,1131 3.871,1132 7.428,1133 3.872,1134 3.835,1135 3.887,1136 3.802,1137 3.667,1138 6.999,1139 3.675,1140 3.79,1141 3.843,1142 3.671,1143 3.633,1144 5.285,1145 3.644,1146 3.472,1147 3.504,1148 3.433,1149 3.209,1150 4.98,1151 3.21,1152 3.394,1153 3.484,1154 3.271,1155 3.177,1156 4.746,1157 3.186,1158 3.359,1159 3.41,1160 3.204,1161 3.031,1162 4.651,1163 3.124,1164 3.145,1165 3.227,1166 3.041,1167 2.941,1168 4.413,1169 2.927,1170 0.12,1171 0.1,1172 0.178,1173 0.11,1174 0.084,1175 4.557,1176 0.113,1177 3.806,1178 0.069,1179 6.777,1180 0.292,1181 4.163,1182 0.082,1183 3.186,1184 4.297,1185 2.612,1186 11.103,1187 3.116,1188 1.986,1189 1.961,1190 2.076,1191 2.124,1192 1.396,1193 2.099,1194 1.929,1195 1.904,1196 2.046,1197 2.05,1198 1.217,1199 2.053,1200 1.797,1201 1.737,1202 1.997,1203 1.969,1204 1.158,1205 1.973,1206 1.729,1207 1.684,1208 1.872,1209 1.934,1210 1.023,1211 1.906,1212 1.388,1213 1.307,1214 1.633,1215 1.655,1216 0.825,1217 1.659,1218 1.31,1219 1.26,1220 1.513,1221 1.629,1222 0.727,1223 1.561,1224 1.186,1225 1.152,1226 1.511,1227 1.522,1228 0.61,1229 1.505,1230 1.153,1231 1.064,1232 1.345,1233 1.376,1234 0.559,1235 1.429,1236 4.344,1238 5.666,1240 7.189,1242 8.802,1244 10.462,1246 1.903,1250 11.767,1252 5.78,1253 3.134,1257 1.893,1262 40.089,1263 102.616,1264 244.091,1265 311.329,1266 336.49,1267 339.245,1268 339.245,1269 82.943,1270 7.992,1271 155.98,1272 155.98,1273 24,1274 12.743,1275 4.459,1276 3.7,1277 59.822,1278 179,1279 183,1280 0.16,1281 248.353,1282 433.25,1283 597.741,1284 36331,1286 24.949,1287 0.713,1288 0.562,1289 24.949,1290 19.659,1291 16.867,1292 0.444,1293 0.308,1294 11.542,1295 16.19,1296 11.308,1297 9.396,1298 16.867,1299 11.698,1300 15.156,1301 0.286,1302 0.161,1303 15.156,1304 8.535,1305 12.668,1306 0.181,1307 0.088,1308 12.668,1309 6.174,1310 10.639,1311 0.118,1312 0.048,1313 10.639,1314 4.346,1315 8.411,1316 0.076,1317 0.027,1318 8.411,1319 3.014,1320 0.258,1321 106.103,1322 0.2,1323 32.671,1324 0.42,1325 182,1326 548.744,1327 200.91,1328 534.557,1329 722.71,1330 494,1331 214,1332 539.832,1333 232.83,1334 541.605,1335 788.77,1336 509,1337 6.569}
{0 CHEMBL103971,1 1.603,2 13.943,3 4.243,4 18.005,5 138.671,6 7.431,7 0.474,8 4.257,9 4.388,10 3.813,11 3.748,12 5.422,13 3.737,14 4.78,15 4.963,16 4.205,17 4.148,18 5.978,19 4.125,20 4.998,21 5.187,22 4.274,23 4.322,24 6.088,25 4.272,26 5.18,27 5.407,28 4.298,29 4.364,30 6.261,31 4.297,32 5.14,33 5.35,34 4.244,35 4.37,36 6.276,37 4.299,38 5.223,39 5.472,40 4.118,41 4.327,42 6.294,43 4.216,44 5.083,45 5.343,46 4.106,47 4.149,48 6.281,49 4.06,50 4.901,51 5.126,52 3.954,53 3.973,54 6.099,55 3.925,56 0.166,57 0.989,58 13.296,59 5.309,60 17.192,61 7.332,62 0.446,63 1.53,64 24.92,65 9.138,66 63.716,67 12.756,68 0.3,69 1.876,70 30.61,71 10.839,72 37.016,73 15.541,74 0.653,75 2.01,76 40.296,77 13.095,78 70.286,79 18.925,80 0.475,81 2.019,82 37.021,83 12.01,84 68.69,85 17.401,86 0.665,87 1.963,88 43.408,89 14.184,90 104.949,91 20.488,92 0.816,93 1.676,94 38.337,95 11.934,96 104.265,97 17.822,98 0.53,99 1.4,100 31.395,101 9.148,102 83.217,103 12.979,104 69,105 56,106 0.254,107 0.605,108 0.759,109 0.828,110 0.835,111 0.835,112 3.588,113 0.893,114 -5.4,115 -5.28,116 -4.93,119 39.1,120 3,121 1,124 1,125 2,129 1,139 7,140 4,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 11,169 3,170 10,172 3,173 3,175 1,178 12,180 1,181 1,182 17,187 1,189 7,191 1,192 2,193 18,195 1,196 1,197 1,198 5,200 2,201 6,204 5,205 1,207 12,212 4,215 11,218 4,220 2,221 5,223 1,224 1,226 2,229 12,231 2,233 8,234 10,236 3,237 3,239 1,241 10,243 1,246 8,248 1,249 1,254 6,260 8,262 3,263 3,265 1,268 4,270 1,273 2340,274 22.834,275 22.834,276 22.834,277 22.834,278 22.834,279 20.196,280 31.682,281 12.941,282 23.329,283 18.654,284 18.654,285 18.654,286 18.654,287 18.654,288 14.523,289 45.677,290 6.021,291 19.478,292 4.397,293 2.185,294 1.214,295 0.778,296 0.735,297 0.735,298 4.274,302 1,303 1043,304 4,306 116.479,307 388.865,314 2.287,315 39.814,318 0.75,319 0.67,320 1,321 0.8,322 0.5,323 0.83,324 0.5,325 0.72,326 76.5,327 488,328 4.569,329 3.815,330 6.788,331 4.231,332 3.276,333 4.305,334 2.612,335 11.194,336 3.129,337 4.431,338 3.578,339 6.786,340 4.178,341 3.202,342 4.041,343 1.311,344 11.139,345 3.125,346 4.374,347 3.236,348 6.588,349 3.972,350 3.015,351 3.862,352 0.916,353 10.369,354 2.887,355 4.045,356 3.102,357 6.049,358 3.726,359 2.742,360 3.395,361 0.394,362 8.745,363 2.698,364 3.739,365 2.866,366 5.587,367 3.415,368 2.455,369 3.178,370 0.172,371 7.384,372 2.357,373 3.699,374 2.592,375 5.323,376 3.23,377 2.288,378 2.978,380 6.715,381 2.155,382 3.542,383 2.387,384 5.202,385 3.078,386 2.119,387 2.836,389 6.117,390 2.026,391 3.302,392 2.228,393 5.038,394 2.935,395 1.987,396 2.551,398 5.703,399 1.879,400 3.18,401 2.009,402 4.773,403 2.748,404 1.798,405 2.404,407 5.008,408 1.7,409 2.838,410 1.813,411 4.329,412 2.367,413 1.438,414 1.873,415 4.025,416 1.327,417 2.628,418 1.586,419 4.061,420 2.135,421 1.184,422 1.608,423 3.151,424 1.12,425 2.5,426 1.376,427 3.725,428 2,429 1,430 1.5,431 2.423,432 1,433 2.472,434 1.2,435 3.603,436 2,437 1,438 1.459,439 2.275,440 1,441 1.896,442 1,443 3.414,444 1.577,445 0.705,446 0.791,448 1.808,449 0.61,450 1.714,451 1,452 3.325,453 1.522,454 0.541,455 0.612,457 1.032,458 0.53,459 16.3,460 0.466,461 1.183,462 0.034,463 47,464 1.343,465 24,466 0.686,467 23,468 0.657,469 31.572,470 0.902,471 38.3,472 0.598,473 40.789,474 1.165,475 9.054,476 0.259,477 7.52,478 0.215,479 0.213,480 0.031,481 0.356,485 0.672,486 1.313,487 0.794,488 1.083,489 0.724,490 0.972,491 0.663,492 0.973,493 0.69,494 0.87,495 0.372,496 0.798,497 0.871,498 1.249,499 1.012,500 1.185,501 0.623,502 1.118,503 1.02,504 1.053,505 0.938,506 0.992,507 0.766,508 0.965,509 1.124,510 1.163,511 1.19,512 1.174,513 1.096,514 1.177,515 1.052,516 0.989,517 1.056,518 1.067,519 1.463,520 1.075,521 0.658,522 0.843,523 0.801,524 0.939,525 0.77,526 0.907,527 1.571,528 1.089,529 1.067,530 1.021,531 1.932,532 0.978,533 9.5,534 0.206,535 4.667,536 3.507,537 2.53,538 1.66,539 1.054,540 0.779,541 0.48,542 0.377,543 18437,544 49827,545 2.001,546 45.3,547 3,548 14,551 4,552 2,553 6,555 1.765,556 1.818,557 3.716,558 1.548,564 102.616,565 1.603,566 3.815,567 4.786,568 5.222,569 5.265,570 5.265,571 3.194,572 4.729,573 5.099,574 3.939,575 2343.82,576 8.942,577 37063.9,582 384,583 1.691,584 5.023,585 0.25,586 0.006,587 0.083,588 0.06,589 0.044,590 0.031,591 0.023,592 0.017,593 0.012,594 0.011,595 0.538,597 0.75,598 0.869,599 190.632,600 0.087,601 -0.053,602 0.047,603 0.014,604 -0.093,605 0.022,606 0.207,607 0.154,608 0.222,609 0.181,610 0.284,611 0.198,612 -0.094,613 -0.108,614 -0.114,615 -0.148,616 -0.036,617 -0.13,618 -0.014,619 -0.055,620 0.036,621 0.013,622 0.038,623 0.025,624 -0.204,625 -0.078,626 -0.252,627 -0.174,628 -0.127,629 -0.206,630 -0.073,631 -0.055,632 -0.066,633 -0.065,634 -0.186,635 -0.07,636 0.335,637 0.086,638 0.21,639 0.03,640 0.296,641 0.084,642 -0.197,643 -0.142,644 -0.037,645 -0.059,646 -0.152,647 -0.027,648 2.393,649 4.969,650 0.657,651 41.429,652 1.006,653 1.136,654 4.168,655 17.37,656 0.653,657 3.664,658 4.043,659 4.29,660 4.575,661 4.771,662 4.828,663 4.949,664 5.05,665 5.142,666 5.165,667 8.159,668 0.626,669 475.61,670 3.664,671 5.242,672 6.098,673 7.004,674 7.877,675 8.782,676 9.662,677 10.566,678 11.449,679 12.351,680 10.9,684 2,686 1,689 1,690 2,691 1,695 7,696 2,700 9,702 18,711 2,713 1,714 1,718 64,719 21,720 2,721 38,723 67,724 25,725 16,726 5,727 7,728 1,729 4,730 4,734 3,737 1,739 1,741 17,742 8,743 1,744 3,746 1,748 2,750 1,751 1,757 29,758 9,759 4,760 10,764 7,769 1,770 3,776 1,780 1,781 3,801 1,802 4,806 4,810 35,811 2,816 3,818 1,821 1,822 1,829 4.7,834 1,835 2,836 19.25,837 12.75,838 7.528,839 3.746,840 3.582,841 1.447,842 0.962,843 6.859,844 11.601,845 3.932,846 4.57,847 5.122,848 5.697,849 6.226,850 6.503,851 6.897,852 7.223,853 7.585,854 7.835,855 1,856 58,857 12.931,859 5.532,860 7.869,861 24.305,863 19.804,865 2.369,866 82.917,870 294.278,871 140.492,872 124.945,874 61.747,877 140.492,878 356.024,879 124.945,880 40.542,881 9.233,882 132.128,883 38.386,884 51.922,885 4.227,886 294.278,887 50.747,888 294.278,889 265.438,890 61.747,893 223.651,894 81.626,895 50.747,897 57.15,898 169.047,899 39.241,901 294.278,902 186.692,903 140.492,906 294.278,907 39.287,908 110,910 177.898,911 294.278,912 186.692,913 140.492,915 0.598,916 0.345,917 0.189,918 0.104,919 27,920 14,921 0.104,922 7,924 1,925 4.399,926 332.526,928 23,929 171.525,933 24.739,934 9.704,935 5.328,937 181.022,938 12.89,939 8.286,943 4.424,945 65.794,946 621.462,947 50,949 -0.393,951 23.938,953 4.601,954 0.638,956 64.414,957 72.684,958 0.267,959 0.636,960 0.798,961 0.87,962 0.878,963 0.878,964 5.207,965 1.987,966 6.142,967 6.117,968 4.727,969 5.257,970 2.859,971 7.011,972 4.646,973 6.456,974 1.798,975 7.747,976 5.703,977 4.575,978 5.239,979 2.396,980 8.157,981 4.463,982 7.799,983 1.438,984 9.453,985 5.008,986 6.425,987 7.484,988 4.257,989 11.18,990 6.272,991 9.173,992 1.184,993 11.215,994 4.025,995 7.022,996 8.2,997 4.512,998 13.088,999 6.837,1000 10.573,1001 1,1002 13.013,1003 3.151,1004 8.418,1005 9.982,1006 5.976,1007 15.687,1008 8.198,1009 11.992,1010 1,1011 14.836,1012 2.423,1013 9.332,1014 11.038,1015 6.557,1016 17.891,1017 9.077,1018 13.425,1019 0.705,1020 16.676,1021 2.275,1022 10.569,1023 12.63,1024 7.802,1025 20.355,1026 10.281,1027 3.276,1028 0.541,1029 18.529,1030 1.808,1031 11.622,1032 13.86,1033 8.548,1034 22.675,1035 11.295,1036 3.202,1037 11.194,1038 20.393,1039 1.032,1040 12.803,1041 15.366,1042 9.672,1043 25.094,1044 12.443,1045 3.015,1046 11.139,1047 22.264,1048 4.305,1049 13.916,1050 16.689,1051 10.509,1052 27.462,1053 13.517,1054 2.742,1055 10.369,1056 24.142,1057 4.041,1058 15.081,1059 18.154,1060 11.564,1061 29.867,1062 14.646,1063 2.455,1064 8.745,1065 26.024,1066 3.862,1067 16.221,1068 19.527,1069 12.452,1070 32.254,1071 15.748,1072 2.288,1073 7.384,1074 27.911,1075 3.395,1076 17.382,1077 20.975,1078 13.468,1079 34.656,1080 16.873,1081 2.119,1082 6.715,1083 29.802,1084 3.178,1085 18.535,1086 22.376,1087 14.386,1088 37.051,1089 17.987,1090 17723,1091 29360,1092 24.274,1093 41.779,1094 58.424,1095 59.822,1096 60.763,1097 57.637,1098 57.652,1099 74.968,1100 10.812,1101 174.509,1102 55.228,1103 5.456,1104 5.815,1105 6.31,1106 5.301,1107 5.276,1108 7.305,1109 4.612,1110 18.211,1111 5.129,1112 22.805,1113 1.537,1114 1.574,1115 1.599,1116 1.517,1117 1.517,1118 1.973,1119 0.285,1120 4.592,1121 1.453,1122 4.074,1123 4.106,1124 4.04,1125 3.968,1126 7.815,1127 3.978,1128 3.961,1129 3.989,1130 3.912,1131 3.876,1132 6.999,1133 3.879,1134 3.837,1135 3.886,1136 3.806,1137 3.653,1138 5.285,1139 3.678,1140 3.755,1141 3.799,1142 3.668,1143 3.605,1144 4.981,1145 3.613,1146 3.487,1147 3.532,1148 3.443,1149 3.227,1150 4.952,1151 3.223,1152 3.401,1153 3.488,1154 3.26,1155 3.178,1156 4.695,1157 3.183,1158 3.371,1159 3.439,1160 3.204,1161 3.03,1162 4.606,1163 3.124,1164 3.117,1165 3.199,1166 2.98,1167 2.924,1168 4.409,1169 2.928,1170 0.12,1171 0.1,1172 0.179,1173 0.111,1174 0.086,1175 4.569,1176 0.113,1177 3.815,1178 0.069,1179 6.788,1180 0.295,1181 4.231,1182 0.082,1183 3.276,1184 4.305,1185 2.612,1186 11.194,1187 3.129,1188 1.99,1189 1.964,1190 2.07,1191 2.128,1192 1.236,1193 2.101,1194 1.917,1195 1.892,1196 2.015,1197 2.009,1198 1.169,1199 2.012,1200 1.737,1201 1.692,1202 1.908,1203 1.952,1204 1.141,1205 1.914,1206 1.668,1207 1.609,1208 1.877,1209 1.843,1210 1.031,1211 1.866,1212 1.408,1213 1.335,1214 1.676,1215 1.693,1216 0.8,1217 1.665,1218 1.365,1219 1.288,1220 1.597,1221 1.637,1222 0.587,1223 1.645,1224 1.186,1225 1.152,1226 1.417,1227 1.567,1228 0.523,1229 1.519,1230 1.135,1231 1.082,1232 1.387,1233 1.408,1234 0.469,1235 1.39,1236 4.344,1238 5.707,1239 2.398,1240 7.251,1241 4.727,1242 8.877,1243 6.804,1244 10.548,1246 7.79,1250 11.823,1252 1.597,1254 5.706,1257 1.84,1258 -0.222,1262 40.089,1263 102.616,1264 244.129,1265 306.309,1266 334.226,1267 336.98,1268 336.98,1269 77.829,1270 8.018,1271 148.47,1272 148.47,1273 23,1274 12.875,1275 4.459,1276 3.7,1277 59.725,1278 170,1279 170,1280 0.168,1281 248.353,1282 433.25,1283 597.741,1284 36021,1286 25.328,1287 0.724,1288 0.579,1289 25.328,1290 20.278,1291 16.575,1292 0.436,1293 0.298,1294 11.14,1295 15.841,1296 10.718,1297 8.984,1298 16.575,1299 11.315,1300 16.105,1301 0.288,1302 0.164,1303 16.105,1304 9.174,1305 12.602,1306 0.175,1307 0.081,1308 12.602,1309 5.823,1310 10.889,1311 0.113,1312 0.043,1313 10.889,1314 4.109,1315 8.595,1316 0.073,1317 0.024,1318 8.595,1319 2.751,1320 0.269,1321 104.688,1322 0.203,1323 32.415,1324 0.449,1325 188,1326 562.057,1327 208.682,1328 546.625,1329 745.56,1330 506,1331 222,1332 565.425,1333 243.045,1334 571.131,1335 830.46,1336 532,1337 7.824}
{0 CHEMBL103981,1 1.716,2 12.333,3 2.977,4 8.863,5 115.627,6 8.169,7 0.563,8 4.027,9 4.148,10 3.639,11 3.52,12 5.329,13 3.533,14 4.481,15 4.631,16 4,17 3.899,18 5.916,19 3.887,20 4.721,21 4.904,22 4.094,23 4.048,24 5.946,25 4.027,26 4.84,27 5.021,28 4.11,29 4.067,30 6.158,31 4.038,32 4.912,33 5.132,34 3.99,35 4.05,36 6.125,37 3.999,38 4.863,39 5.105,40 3.915,41 3.963,42 6.018,43 3.898,44 4.757,45 4.981,46 3.953,47 3.814,48 6.197,49 3.788,50 4.63,51 4.842,52 3.685,53 3.637,54 5.982,55 3.626,56 0.239,57 0.777,58 8.901,59 3.87,60 22.776,61 4.782,62 0.45,63 1.164,64 15.475,65 6.871,66 78.798,67 8.785,68 0.405,69 1.417,70 21.097,71 8.058,72 45.914,73 10.748,74 0.621,75 1.502,76 24.522,77 8.792,78 74.035,79 11.551,80 0.732,81 1.53,82 29.146,83 8.812,84 111.034,85 12.098,86 0.687,87 1.405,88 29.491,89 9.245,90 105.949,91 13.093,92 0.868,93 1.222,94 26.282,95 7.838,96 106.994,97 11.086,98 0.749,99 1.013,100 23.749,101 6.412,102 110.892,103 8.094,104 59,105 45,106 0.286,107 0.663,108 0.79,109 0.856,110 0.865,111 0.865,112 3.44,113 0.85,114 -4.32,115 -4.26,116 -4.02,119 40,120 1,121 1,125 1,139 7,140 4,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,161 1,165 1,166 11,167 1,169 2,170 5,172 3,173 4,175 4,178 11,179 2,180 1,182 9,185 1,187 7,189 7,190 2,191 1,193 13,195 1,196 3,197 1,198 10,200 2,201 4,202 1,204 5,205 1,207 9,212 7,215 7,218 4,220 2,221 5,223 1,224 1,226 2,227 1,229 8,231 2,233 4,234 9,236 2,237 5,238 2,239 2,240 1,241 8,243 1,246 7,248 1,249 1,251 1,254 6,255 1,260 5,261 1,262 2,263 2,264 1,265 2,267 1,268 4,269 2,270 1,273 1540,274 19.731,275 19.731,276 19.731,277 19.731,278 19.731,279 17.069,280 24.861,281 11.392,282 20.023,283 15.678,284 15.678,285 15.678,286 15.678,287 15.678,288 11.597,289 33.02,290 5.258,291 16.15,292 3.928,293 1.666,294 0.903,295 0.51,296 0.455,297 0.455,298 4.117,301 1,302 1,303 772,304 3.674,307 327.897,314 2,315 45.018,318 0.75,319 0.67,320 0.83,321 0.5,323 0.67,324 0.5,325 0.56,326 67,327 370,328 4.557,329 3.806,330 6.777,331 4.163,332 3.186,333 4.297,334 2.612,335 11.103,336 3.116,337 4.34,338 3.576,339 6.403,340 3.894,341 2.93,342 4.023,343 1.437,344 9.756,345 2.825,346 4.164,347 3.232,348 5.929,349 3.781,350 2.781,351 3.755,352 0.657,353 8.227,354 2.771,355 3.712,356 2.841,357 5.331,358 3.361,359 2.37,360 3.174,362 6.821,363 2.345,364 3.699,365 2.624,366 5.302,367 3.228,368 2.287,369 3.043,371 6.684,372 2.152,373 3.48,374 2.343,375 5.038,376 2.941,377 1.989,378 2.825,380 5.704,381 1.892,382 3.3,383 2.223,384 4.896,385 2.916,386 1.954,387 2.548,389 5.283,390 1.871,391 3.115,392 1.973,393 4.77,394 2.703,395 1.751,396 2.329,398 4.999,399 1.659,400 2.786,401 1.852,402 3.8,403 2.291,404 1.288,405 1.793,407 3,408 1.272,409 2.609,410 1.388,411 3.626,412 2,413 1,414 1.597,415 2.425,416 1,417 2.5,418 1,419 3.414,420 2,421 1,422 1.5,423 2.275,424 1,425 1.975,426 1,427 3.375,428 1.717,429 0.758,430 0.886,431 1.776,432 0.723,433 1.692,434 0.998,435 3.17,436 1.492,437 0.514,438 0.585,439 0.973,440 0.502,441 1.333,442 0.652,443 2.747,444 1.026,445 0.071,446 0.086,448 0.153,449 0.068,450 1.08,451 0.457,452 2.503,453 0.705,454 -0.264,455 -0.333,457 -0.673,458 -0.255,459 13.733,460 0.458,461 0.877,462 0.029,463 43.25,464 1.442,465 24,466 0.8,467 19.25,468 0.642,469 21.584,470 0.719,471 32.467,472 0.649,473 36.372,474 1.212,475 8.65,476 0.288,477 5.645,478 0.188,479 0.192,481 0.393,485 0.704,486 1.108,487 0.756,488 0.884,489 0.738,490 0.829,491 0.399,492 1.026,493 0.67,494 1.015,495 0.343,496 0.93,497 0.731,498 1.198,499 0.844,500 1.089,501 0.593,502 0.998,503 0.918,504 1.26,505 1.052,506 1.232,507 0.855,508 1.188,509 1.106,510 1.073,511 1.179,512 1.043,513 1.026,514 1.095,515 0.853,516 0.968,517 0.948,518 0.998,519 0.911,520 0.994,521 0.763,522 0.878,523 0.851,524 0.952,525 0.837,526 0.936,527 1.681,528 0.857,529 1.236,530 0.872,531 1.736,532 0.933,533 7,534 0.186,535 3.778,536 2.563,537 1.92,538 1.354,539 0.932,540 0.495,541 0.394,542 0.277,543 11338,544 39464,545 1.974,546 40,547 3,548 9,551 6,552 2,555 1.728,556 1.8,557 3.537,558 3.323,559 1,560 1,564 85.806,565 1.716,566 3.977,567 4.741,568 5.134,569 5.189,570 5.189,571 3.086,572 4.574,573 4.875,574 3.751,575 1631.73,576 8.503,577 22873.3,579 1,581 1,582 282.193,583 1.549,584 4.808,585 0.219,586 0.007,587 0.084,588 0.052,589 0.041,590 0.033,591 0.025,592 0.013,593 0.014,594 0.011,595 0.499,597 0.88,598 0.986,599 155.015,600 -0.004,601 0.126,602 -0.009,603 0.164,604 -0.124,605 0.094,606 0.283,607 0.108,608 0.14,609 0.054,610 0.285,611 0.055,612 -0.052,613 -0.104,614 0.016,615 -0.06,616 0.001,617 -0.01,618 -0.052,619 -0.205,620 -0.15,621 -0.233,622 -0.029,623 -0.225,624 -0.227,625 -0.064,626 -0.213,627 -0.084,628 -0.17,629 -0.124,630 -0.03,631 -0.027,632 0.06,633 -0.016,634 -0.092,635 0.034,636 0.269,637 0.071,638 0.178,639 -0.005,640 0.181,641 0.042,642 -0.358,643 0.054,644 -0.172,645 0.058,646 -0.289,647 0.006,648 2.682,649 4.648,650 0.6,651 30.8,652 1.022,653 1.135,654 3.092,655 9.562,656 0.664,657 3.497,658 3.829,659 4.078,660 4.317,661 4.522,662 4.595,663 4.673,664 4.691,665 4.812,666 4.844,667 7.198,668 0.654,669 408.46,670 3.497,671 5.043,672 5.889,673 6.77,674 7.634,675 8.518,676 9.389,677 10.276,678 11.151,679 12.038,680 12,684 2,685 1,690 2,691 1,695 7,696 2,700 9,702 18,709 1,711 2,712 1,713 1,718 50,719 21,720 2,721 32,723 52,724 20,725 16,726 5,727 7,728 1,729 3,730 3,734 1,739 1,741 17,742 3,744 3,746 1,748 3,751 1,754 1,757 20,758 9,759 6,760 10,764 6,769 1,770 4,776 1,781 3,800 1,802 3,806 1,810 30,811 2,815 1,816 2,817 1,829 8,831 1,832 1,835 2,836 16.667,837 9.05,838 6.667,839 2.825,840 3.367,841 1.454,842 0.96,843 6.377,844 10.776,845 3.807,846 4.437,847 4.989,848 5.552,849 6.089,850 6.358,851 6.705,852 6.965,853 7.381,854 7.673,855 1,856 49,857 11.049,859 4.752,860 8.206,861 20.072,863 15.985,865 2.706,866 81.167,869 1,870 164.795,871 105.949,872 123.046,874 118.575,877 105.949,878 283.371,879 123.046,880 14.495,881 4.64,882 132.128,883 120.32,884 21.013,885 4.227,886 164.795,887 50.747,888 164.795,889 228.995,890 118.575,893 164.795,894 67.828,895 50.747,897 18.121,898 153.622,899 57.252,901 164.795,902 241.621,903 105.949,906 164.795,907 30.79,908 80.829,909 18.011,910 217.941,911 164.795,912 241.621,913 105.949,915 0.586,916 0.343,917 0.182,918 0.098,919 20,920 11,921 0.135,922 7,924 1,925 3.997,926 260.307,928 18,929 141.207,933 21.335,934 8.967,935 4.8,937 235.951,938 10.967,939 8.149,943 2.994,945 126.488,946 512.365,947 44,949 -0.487,951 34.228,954 -1.016,956 51.105,957 56.734,958 0.304,959 0.705,960 0.84,961 0.91,962 0.919,963 0.919,964 5.04,965 1.751,966 5.894,967 5.283,968 4.511,969 5.124,970 2.844,971 6.715,972 4.455,973 6.276,974 1.288,975 7.469,976 4.999,977 4.205,978 5.066,979 2.361,980 7.67,981 4.121,982 7.601,983 1,984 9.142,985 3,986 6.12,987 7.357,988 4.285,989 10.744,990 6.016,991 8.96,992 1,993 10.87,994 2.425,995 6.581,996 8.051,997 4.506,998 12.512,999 6.454,1000 10.346,1001 0.758,1002 12.634,1003 2.275,1004 8.009,1005 9.861,1006 5.993,1007 15.127,1008 7.863,1009 11.751,1010 0.514,1011 14.424,1012 1.776,1013 8.819,1014 10.906,1015 6.556,1016 17.246,1017 8.652,1018 13.172,1019 0.071,1020 16.233,1021 0.973,1022 10.058,1023 12.516,1024 7.809,1025 19.705,1026 9.871,1027 3.186,1028 -0.264,1029 18.057,1030 0.153,1031 11.036,1032 13.742,1033 8.548,1034 21.977,1035 10.826,1036 2.93,1037 11.103,1038 19.894,1039 -0.673,1040 12.2,1041 15.258,1042 9.675,1043 24.383,1044 11.97,1045 2.781,1046 9.756,1047 21.74,1048 4.297,1049 13.257,1050 16.58,1051 10.509,1052 26.721,1053 13.005,1054 2.37,1055 8.227,1056 23.595,1057 4.023,1058 14.395,1059 18.052,1060 11.565,1061 29.113,1062 14.122,1063 2.287,1064 6.821,1065 25.457,1066 3.755,1067 15.491,1068 19.426,1069 12.452,1070 31.48,1071 15.194,1072 1.989,1073 6.684,1074 27.325,1075 3.174,1076 16.623,1077 20.878,1078 13.468,1079 33.87,1080 16.303,1081 1.954,1082 5.704,1083 29.198,1084 3.043,1085 17.738,1086 22.28,1087 14.386,1088 36.252,1089 17.396,1090 11242,1091 21127,1092 20.403,1093 33.182,1094 48.11,1095 49.977,1096 50.536,1097 47.811,1098 47.756,1099 64.881,1100 9.413,1101 138.356,1102 46.389,1103 5.394,1104 5.806,1105 6.299,1106 5.233,1107 5.186,1108 7.297,1109 4.612,1110 17.995,1111 5.116,1112 19.354,1113 1.503,1114 1.562,1115 1.579,1116 1.494,1117 1.492,1118 2.028,1119 0.294,1120 4.324,1121 1.45,1122 4.063,1123 4.094,1124 4.031,1125 3.958,1126 7.815,1127 3.967,1128 3.927,1129 3.952,1130 3.875,1131 3.86,1132 7.475,1133 3.859,1134 3.826,1135 3.871,1136 3.799,1137 3.639,1138 6.999,1139 3.665,1140 3.476,1141 3.506,1142 3.439,1143 3.209,1144 6.351,1145 3.217,1146 3.398,1147 3.484,1148 3.319,1149 3.176,1150 5.285,1151 3.187,1152 3.377,1153 3.414,1154 3.204,1155 3.031,1156 4.98,1157 3.124,1158 3.135,1159 3.21,1160 3.043,1161 2.868,1162 4.74,1163 2.904,1164 3.037,1165 3.117,1166 2.889,1167 2.735,1168 4.646,1169 2.741,1170 0.142,1171 0.119,1172 0.212,1173 0.13,1174 0.1,1175 4.557,1176 0.134,1177 3.806,1178 0.082,1179 6.777,1180 0.347,1181 4.163,1182 0.097,1183 3.186,1184 4.297,1185 2.612,1186 11.103,1187 3.116,1188 1.985,1189 1.96,1190 2.065,1191 2.124,1192 1.217,1193 2.097,1194 1.915,1195 1.893,1196 2.014,1197 2.008,1198 1.156,1199 2.011,1200 1.73,1201 1.686,1202 1.873,1203 1.951,1204 1.022,1205 1.909,1206 1.389,1207 1.308,1208 1.633,1209 1.658,1210 0.706,1211 1.659,1212 1.306,1213 1.265,1214 1.505,1215 1.631,1216 0.581,1217 1.564,1218 1.186,1219 1.152,1220 1.285,1221 1.537,1222 0.218,1223 1.505,1224 1.01,1225 0.955,1226 1.257,1227 1.37,1228 0.213,1229 1.348,1230 0.909,1231 0.829,1232 1.181,1233 1.291,1234 0.142,1235 1.243,1236 4.174,1238 5.501,1240 7.022,1242 8.634,1244 10.295,1246 1.88,1250 11.656,1251 8.958,1252 0.819,1253 3.019,1262 32.675,1263 85.806,1264 198.874,1265 237.032,1266 256.683,1267 259.438,1268 259.438,1269 77.044,1270 7.409,1271 172.97,1272 172.97,1273 18,1274 12.571,1275 4.459,1276 3.7,1277 55.409,1278 128,1279 138,1280 0.21,1281 204.986,1282 356.9,1283 491.927,1284 16061,1286 21.836,1287 0.728,1288 0.537,1289 21.836,1290 16.124,1291 14.295,1292 0.447,1293 0.283,1294 8.923,1295 13.639,1296 8.737,1297 7.278,1298 14.295,1299 9.065,1300 13.143,1301 0.292,1302 0.144,1303 13.143,1304 6.487,1305 10.474,1306 0.181,1307 0.078,1308 10.474,1309 4.531,1310 8.735,1311 0.118,1312 0.041,1313 8.735,1314 3.067,1315 6.797,1316 0.075,1317 0.023,1318 6.797,1319 2.05,1320 0.333,1321 90.671,1322 0.221,1323 28.448,1324 0.57,1325 154,1326 533.249,1327 172.709,1328 517.252,1329 686.37,1330 474,1331 180,1332 504.046,1333 196.996,1334 505.228,1335 730.77,1336 473,1337 8.538}
{0 CHEMBL104020,1 1.668,2 13.097,3 2.581,4 6.661,5 122.346,6 7.806,7 0.545,8 4.09,9 4.226,10 3.671,11 3.578,12 5.337,13 3.578,14 4.562,15 4.736,16 4.018,17 3.953,18 5.876,19 3.931,20 4.786,21 4.978,22 4.131,23 4.105,24 5.976,25 4.076,26 4.901,27 5.087,28 4.146,29 4.135,30 6.186,31 4.098,32 4.977,33 5.2,34 4.034,35 4.139,36 6.149,37 4.073,38 4.964,39 5.217,40 3.945,41 4.055,42 6.066,43 3.968,44 4.828,45 5.07,46 3.974,47 3.883,48 6.193,49 3.838,50 4.683,51 4.899,52 3.719,53 3.708,54 5.992,55 3.681,56 0.203,57 0.852,58 10.382,59 4.101,60 16.788,61 5.566,62 0.405,63 1.263,64 18.522,65 7.29,66 60.549,67 9.938,68 0.337,69 1.511,70 23.972,71 8.631,72 41.915,73 12.11,74 0.572,75 1.607,76 27.477,77 9.225,78 76.427,79 12.725,80 0.598,81 1.647,82 31.544,83 9.554,84 90.363,85 13.804,86 0.615,87 1.52,88 33.339,89 10.404,90 92.997,91 15.248,92 0.797,93 1.3,94 29.097,95 8.5,96 102.373,97 12.564,98 0.642,99 1.079,100 25.144,101 6.683,102 96.361,103 9.033,104 60,105 46,106 0.274,107 0.633,108 0.787,109 0.853,110 0.862,111 0.862,112 3.472,113 0.872,114 -4.14,115 -4.08,116 -3.86,119 38.9,120 1,121 1,124 1,125 1,139 7,140 4,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 11,169 2,170 5,172 3,173 4,175 4,178 11,180 1,182 9,185 1,187 7,189 7,191 1,193 13,195 1,196 3,197 1,198 10,200 2,201 4,204 5,205 1,207 9,212 7,215 7,218 4,220 2,221 5,223 1,224 1,226 2,229 8,231 2,233 4,234 9,236 2,237 5,238 2,239 2,240 1,241 8,243 1,246 7,248 1,249 1,251 1,254 6,260 5,262 2,263 2,264 1,265 2,267 1,268 4,270 1,273 1694,274 20.602,275 20.602,276 20.602,277 20.602,278 20.602,279 17.992,280 26.941,281 11.894,282 20.945,283 16.099,284 16.099,285 16.099,286 16.099,287 16.099,288 12.011,289 34.561,290 5.412,291 16.58,292 4.087,293 1.903,294 0.961,295 0.56,296 0.509,297 0.509,298 4.149,301 1,302 1,303 846,304 3.808,307 342.767,314 2.042,315 41.12,318 0.75,319 0.67,320 0.83,321 0.5,323 0.67,324 0.5,325 0.56,326 68.5,327 406,328 4.557,329 3.806,330 6.777,331 4.163,332 3.186,333 4.297,334 2.612,335 11.103,336 3.116,337 4.34,338 3.551,339 6.403,340 3.895,341 2.93,342 4.023,343 1.058,344 9.756,345 2.838,346 4.184,347 3.232,348 6.021,349 3.818,350 2.812,351 3.766,352 0.657,353 8.543,354 2.808,355 3.728,356 2.841,357 5.334,358 3.388,359 2.394,360 3.174,362 6.873,363 2.378,364 3.705,365 2.624,366 5.311,367 3.229,368 2.288,369 3.068,371 6.69,372 2.152,373 3.482,374 2.343,375 5.038,376 2.941,377 1.989,378 2.827,380 5.704,381 1.894,382 3.3,383 2.223,384 4.897,385 2.918,386 1.956,387 2.548,389 5.286,390 1.872,391 3.116,392 1.975,393 4.77,394 2.705,395 1.753,396 2.33,398 4.999,399 1.661,400 2.865,401 1.853,402 4.121,403 2.444,404 1.451,405 1.92,407 3.552,408 1.431,409 2.61,410 1.388,411 3.628,412 2,413 1,414 1.597,415 2.425,416 1,417 2.5,418 1.094,419 3.414,420 2,421 1,422 1.5,423 2.275,424 1,425 1.98,426 1,427 3.381,428 1.736,429 0.783,430 0.901,431 1.817,432 0.744,433 1.693,434 1,435 3.194,436 1.501,437 0.523,438 0.591,439 0.986,440 0.51,441 1.475,442 0.993,443 2.75,444 1.202,445 0.226,446 0.261,448 0.322,449 0.218,450 1.331,451 0.648,452 2.585,453 1.014,454 0.055,455 0.067,457 0.113,458 0.053,459 14.3,460 0.461,461 0.839,462 0.027,463 44,464 1.419,465 24,466 0.774,467 20,468 0.645,469 23.034,470 0.743,471 33.7,472 0.624,473 37.362,474 1.205,475 8.823,476 0.285,477 6.01,478 0.194,479 0.196,481 0.378,485 0.657,486 1.208,487 0.78,488 0.954,489 0.669,490 0.886,491 0.481,492 0.983,493 0.709,494 0.96,495 0.404,496 0.892,497 0.793,498 1.199,499 0.832,500 1.078,501 0.658,502 0.973,503 1.059,504 1.248,505 1.089,506 1.207,507 1.033,508 1.169,509 1.138,510 1.106,511 1.185,512 1.104,513 1.059,514 1.134,515 0.89,516 0.97,517 0.946,518 1.022,519 0.968,520 1.004,521 0.748,522 0.849,523 0.813,524 0.94,525 0.817,526 0.903,527 1.819,528 0.938,529 1.243,530 0.942,531 1.889,532 0.98,533 7,534 0.186,535 4,536 2.563,537 1.92,538 1.382,539 0.972,540 0.495,541 0.394,542 0.277,543 12527,544 39577,545 1.975,546 42.6,547 3,548 12,551 6,552 2,555 1.736,556 1.806,557 3.612,558 3.275,560 1,564 90.077,565 1.668,566 3.851,567 4.793,568 5.194,569 5.245,570 5.245,571 3.1,572 4.761,573 4.922,574 3.814,575 1773.73,576 8.594,577 25660.8,579 1,582 310.764,583 1.541,584 4.858,585 0.212,586 0.007,587 0.087,588 0.05,589 0.039,590 0.032,591 0.025,592 0.013,593 0.013,594 0.011,595 0.489,596 0.17,597 0.88,598 1.13,599 162.401,600 0.038,601 0.058,602 0.01,603 0.11,604 -0.095,605 0.066,606 0.239,607 0.158,608 0.148,609 0.104,610 0.224,611 0.104,612 -0.046,613 -0.105,614 0.053,615 -0.035,616 0.005,617 0.024,618 -0.077,619 -0.177,620 -0.171,621 -0.199,622 -0.058,623 -0.21,624 -0.224,625 -0.082,626 -0.231,627 -0.128,628 -0.167,629 -0.165,630 -0.015,631 -0.048,632 0.055,633 -0.028,634 -0.089,635 0.017,636 0.327,637 0.089,638 0.213,639 0.012,640 0.245,641 0.072,642 -0.358,643 -0.013,644 -0.193,645 -0.009,646 -0.277,647 -0.056,648 2.458,649 4.701,650 0.581,651 33.353,652 1.014,653 1.138,654 2.909,655 8.464,656 0.657,657 3.526,658 3.85,659 4.111,660 4.344,661 4.543,662 4.615,663 4.71,664 4.727,665 4.828,666 4.875,667 7.497,668 0.639,669 421.51,670 3.526,671 5.069,672 5.916,673 6.795,674 7.66,675 8.543,676 9.414,677 10.299,678 11.175,679 12.062,680 13,684 2,685 1,687 1,690 2,691 1,695 7,696 2,700 9,702 18,707 1,711 2,712 1,713 1,718 54,719 21,720 2,721 33,723 56,724 21,725 16,726 5,727 7,728 1,729 3,730 3,734 1,739 1,741 17,742 4,744 3,746 1,748 3,751 1,754 1,757 23,758 9,759 6,760 10,764 7,769 1,770 3,776 1,781 3,802 3,806 2,810 31,811 2,816 2,817 2,829 5.6,832 1,835 2,836 17.167,837 10.1,838 7,839 3.088,840 3.373,841 1.451,842 0.976,843 6.925,844 10.857,845 3.829,846 4.449,847 5.009,848 5.564,849 6.099,850 6.369,851 6.725,852 6.986,853 7.385,854 7.682,855 0.889,856 51,857 11.42,859 4.838,860 8.07,861 21.004,863 16.606,865 2.57,866 79.667,869 1,870 200.109,871 118.14,872 141.057,874 75.892,877 118.14,878 276.001,879 141.057,880 22.892,881 22.651,882 132.128,883 81.431,884 21.013,885 4.227,886 200.109,887 50.747,888 200.109,889 259.197,890 75.892,893 200.109,894 25.145,895 50.747,897 36.132,898 165.813,899 57.252,901 200.109,902 216.949,903 118.14,906 200.109,907 34.584,908 89.225,909 36.022,910 175.257,911 200.109,912 216.949,913 118.14,915 0.581,916 0.348,917 0.184,918 0.098,919 20,920 11,921 0.125,922 7,924 1,925 4.087,926 270.958,928 18,929 147.58,933 22.312,934 9.621,935 5.035,937 211.279,938 11.778,939 8.188,943 3.611,945 101.816,946 535.197,947 45,949 -0.458,951 35.037,954 -0.178,956 54.763,957 61.438,958 0.29,959 0.669,960 0.833,961 0.903,962 0.911,963 0.911,964 5.059,965 1.753,966 5.916,967 5.286,968 4.533,969 5.136,970 2.728,971 6.737,972 4.479,973 6.289,974 1.451,975 7.491,976 4.999,977 4.205,978 5.066,979 2.361,980 7.692,981 4.132,982 7.613,983 1,984 9.163,985 3.552,986 6.142,987 7.366,988 4.199,989 10.769,990 6.043,991 8.971,992 1,993 10.891,994 2.425,995 6.594,996 8.058,997 4.506,998 12.538,999 6.482,1000 10.357,1001 0.783,1002 12.656,1003 2.275,1004 8.029,1005 9.867,1006 5.956,1007 15.152,1008 7.893,1009 11.763,1010 0.523,1011 14.446,1012 1.817,1013 8.838,1014 10.913,1015 6.556,1016 17.27,1017 8.687,1018 13.184,1019 0.226,1020 16.256,1021 0.986,1022 10.078,1023 12.522,1024 7.796,1025 19.727,1026 9.906,1027 3.186,1028 0.055,1029 18.08,1030 0.322,1031 11.056,1032 13.748,1033 8.548,1034 21.997,1035 10.865,1036 2.93,1037 11.103,1038 19.917,1039 0.113,1040 12.22,1041 15.264,1042 9.67,1043 24.401,1044 12.009,1045 2.812,1046 9.756,1047 21.763,1048 4.297,1049 13.278,1050 16.585,1051 10.509,1052 26.736,1053 13.045,1054 2.394,1055 8.543,1056 23.618,1057 4.023,1058 14.415,1059 18.057,1060 11.563,1061 29.125,1062 14.162,1063 2.288,1064 6.873,1065 25.48,1066 3.766,1067 15.511,1068 19.431,1069 12.452,1070 31.491,1071 15.235,1072 1.989,1073 6.69,1074 27.347,1075 3.174,1076 16.641,1077 20.882,1078 13.468,1079 33.879,1080 16.343,1081 1.956,1082 5.704,1083 29.22,1084 3.068,1085 17.756,1086 22.284,1087 14.386,1088 36.259,1089 17.436,1090 12436,1091 22262,1092 21.096,1093 35.495,1094 48.892,1095 51.542,1096 52.096,1097 48.722,1098 48.695,1099 65.741,1100 8.656,1101 140.888,1102 47.348,1103 5.396,1104 5.806,1105 6.321,1106 5.233,1107 5.186,1108 7.297,1109 4.612,1110 17.995,1111 5.116,1112 19.838,1113 1.482,1114 1.562,1115 1.579,1116 1.476,1117 1.476,1118 1.992,1119 0.262,1120 4.269,1121 1.435,1122 4.064,1123 4.095,1124 4.032,1125 3.959,1126 7.815,1127 3.968,1128 3.933,1129 3.961,1130 3.881,1131 3.864,1132 7.429,1133 3.864,1134 3.827,1135 3.873,1136 3.8,1137 3.639,1138 6.999,1139 3.665,1140 3.514,1141 3.578,1142 3.449,1143 3.269,1144 5.285,1145 3.293,1146 3.454,1147 3.495,1148 3.386,1149 3.195,1150 4.98,1151 3.19,1152 3.391,1153 3.477,1154 3.204,1155 3.036,1156 4.746,1157 3.124,1158 3.24,1159 3.331,1160 3.099,1161 3.003,1162 4.652,1163 3.016,1164 3.073,1165 3.19,1166 2.927,1167 2.82,1168 4.413,1169 2.833,1170 0.138,1171 0.115,1172 0.205,1173 0.126,1174 0.097,1175 4.557,1176 0.13,1177 3.806,1178 0.079,1179 6.777,1180 0.336,1181 4.163,1182 0.094,1183 3.186,1184 4.297,1185 2.612,1186 11.103,1187 3.116,1188 1.986,1189 1.961,1190 2.066,1191 2.124,1192 1.218,1193 2.097,1194 1.92,1195 1.896,1196 2.017,1197 2.016,1198 1.16,1199 2.018,1200 1.731,1201 1.686,1202 1.873,1203 1.953,1204 1.023,1205 1.911,1206 1.425,1207 1.359,1208 1.692,1209 1.716,1210 0.742,1211 1.704,1212 1.384,1213 1.3,1214 1.629,1215 1.646,1216 0.651,1217 1.659,1218 1.209,1219 1.152,1220 1.483,1221 1.62,1222 0.575,1223 1.542,1224 1.185,1225 1.118,1226 1.285,1227 1.461,1228 0.218,1229 1.47,1230 0.986,1231 0.903,1232 1.257,1233 1.356,1234 0.213,1235 1.343,1236 4.205,1238 5.525,1240 7.045,1242 8.656,1244 10.317,1246 3.457,1250 11.697,1252 0.896,1253 5.638,1262 34.509,1263 90.077,1264 207.977,1265 258.848,1266 280.499,1267 283.254,1268 283.254,1269 77.308,1270 7.484,1271 164.77,1272 164.77,1273 18,1274 12.595,1275 4.459,1276 3.7,1277 58.383,1278 138,1279 158,1280 0.205,1281 217.377,1282 376.41,1283 522.159,1284 17826,1286 22.543,1287 0.727,1288 0.554,1289 22.543,1290 17.177,1291 14.833,1292 0.449,1293 0.291,1294 9.44,1295 14.168,1296 9.193,1297 7.699,1298 14.833,1299 9.592,1300 13.284,1301 0.289,1302 0.147,1303 13.284,1304 6.761,1305 10.98,1306 0.183,1307 0.08,1308 10.98,1309 4.773,1310 8.971,1311 0.118,1312 0.042,1313 8.971,1314 3.22,1315 6.977,1316 0.075,1317 0.023,1318 6.977,1319 2.138,1320 0.326,1321 93.879,1322 0.218,1323 29.314,1324 0.552,1325 158,1326 519.432,1327 175.883,1328 506.176,1329 678.33,1330 466,1331 185,1332 502.424,1333 201.999,1334 504.934,1335 730.53,1336 473,1337 8.222}
{0 CHEMBL104379,1 1.688,2 10.292,3 3.394,4 11.517,5 99.485,6 7.829,7 0.615,8 3.889,9 4.007,10 3.538,11 3.431,12 5.03,13 3.394,14 4.388,15 4.555,16 3.884,17 3.798,18 5.473,19 3.737,20 4.519,21 4.697,22 3.916,23 3.905,24 5.539,25 3.83,26 4.645,27 4.831,28 3.924,29 3.962,30 5.661,31 3.84,32 4.727,33 4.963,34 3.565,35 3.905,36 5.618,37 3.722,38 4.642,39 4.919,40 3.424,41 3.734,42 5.422,43 3.56,44 4.45,45 4.699,46 3.461,47 3.605,48 5.346,49 3.481,50 4.36,51 4.602,52 3.593,53 3.587,54 5.289,55 3.466,56 0.055,57 0.665,58 9.455,59 4.09,60 10.746,61 5.016,62 0.294,63 1.018,64 19.21,65 7.181,66 27.296,67 8.744,68 0.181,69 1.153,70 19.92,71 7.793,72 18.557,73 9.958,74 0.264,75 1.291,76 26.126,77 9.309,78 29.245,79 11.994,80 0.434,81 1.292,82 31.587,83 10.315,84 41.541,85 13.204,86 0.31,87 1.091,88 27.853,89 9.351,90 33.621,91 12.652,92 0.343,93 0.918,94 21.672,95 7.116,96 33.089,97 9.299,98 0.179,99 0.89,100 21.06,101 7.252,102 20.62,103 9.374,104 21,105 36,106 0.293,107 0.642,108 0.766,109 0.816,110 0.848,111 0.872,112 3.228,113 0.981,114 -3.92,115 -3.87,116 -3.68,119 38.6,121 3,124 2,139 3,140 3,141 2,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 7,169 1,170 7,172 3,173 3,175 1,178 9,180 1,182 7,187 1,189 8,191 1,193 5,195 1,196 1,197 1,198 4,200 2,201 6,204 4,205 1,206 1,207 4,212 2,215 5,218 2,221 4,226 2,229 4,231 2,234 4,239 2,241 3,243 2,246 4,251 2,254 2,256 2,259 2,260 3,262 1,263 1,265 2,268 1,270 2,273 746,274 16.326,275 16.326,276 16.326,277 16.326,278 16.326,279 14.375,280 20.742,281 9.51,282 17.032,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.614,289 23.358,290 4.32,291 13.657,292 3.771,293 1.768,294 1.051,295 0.762,296 0.58,297 0.443,298 3.908,300 1,301 1,302 1,303 524,304 3,306 52.12,307 144.816,310 97.625,314 1.375,315 19.563,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52,327 247,328 4.638,329 3.263,330 6.78,331 4.137,332 3.187,333 4.608,334 0.86,335 11.107,336 3.032,337 4.266,338 3.176,339 6.172,340 3.871,341 2.903,342 3.91,343 0.86,344 9.167,345 2.81,346 3.709,347 2.686,348 5.307,349 3.275,350 2.343,351 3.155,353 6.698,354 2.181,355 3.545,356 2.504,357 5.221,358 3.165,359 2.241,360 2.855,362 6.492,363 2.064,364 3.407,365 2.101,366 5.063,367 2.859,368 1.981,369 2.789,371 5.791,372 1.755,373 3.09,374 2.065,375 4.77,376 2.772,377 1.824,378 2.256,380 5.03,381 1.694,382 2.93,383 1.913,384 4.409,385 2.568,386 1.611,387 2.069,389 4.312,390 1.53,391 2.344,392 1.264,393 3.59,394 2.008,395 1.032,396 1.294,398 2.372,399 1.002,400 2.174,401 1.036,402 3.435,403 1.657,404 0.812,405 1.094,407 2.034,408 0.672,409 1.903,410 0.915,411 3.046,412 1.614,413 0.756,414 0.843,415 1.321,416 0.638,417 1.473,418 0.842,419 2.789,420 1.212,421 0.348,422 0.383,423 0.496,424 0.297,425 1.222,426 0.307,427 2.672,428 0.973,429 0.023,430 0.027,431 0.051,432 0.022,433 1.05,434 -0.027,435 2.538,436 0.618,437 -0.296,438 -0.376,439 -0.707,440 -0.268,441 0.825,442 -0.246,443 2.275,444 0.43,445 -0.478,446 -0.584,448 -1.068,449 -0.429,450 0.661,451 -0.326,452 2.175,453 0.307,454 -0.608,455 -0.713,457 -1.318,458 -0.548,459 11.6,460 0.483,461 0.554,462 0.023,463 31.5,464 1.313,465 16,466 0.667,467 15.5,468 0.646,469 19.482,470 0.812,471 26.2,472 0.595,473 21.018,474 0.876,475 6.068,476 0.253,477 5.549,478 0.231,479 0.155,481 0.345,485 1.007,486 1.163,487 0.78,488 0.944,489 1.173,490 0.9,491 1.084,492 0.813,493 0.838,494 0.851,495 0.661,496 0.791,497 1.028,498 1.102,499 0.82,500 0.926,501 0.869,502 0.967,503 0.873,504 1.305,505 1.102,506 1.327,507 0.818,508 1.266,509 0.929,510 1.089,511 1.41,512 1.299,513 1.142,514 1.294,515 0.857,516 0.855,517 0.886,518 0.912,519 0.796,520 0.964,521 1.372,522 0.709,523 0.843,524 0.672,525 1.164,526 0.813,527 0.733,528 1.031,529 0.78,530 0.994,531 0.702,532 0.878,533 5,534 0.144,535 2.667,536 2.035,537 1.383,538 0.632,539 0.284,540 0.275,541 0.243,542 0.225,543 6399,544 18604,545 2.04,546 45.5,547 6,548 9,549 1,551 4,555 1.667,556 1.895,557 3.311,558 1.819,559 1,560 1,564 74.29,565 1.688,566 3.692,567 4.408,568 4.698,569 4.88,570 5.016,571 2.674,572 4.252,573 4.561,574 3.463,575 955.924,576 7.857,577 11510.4,579 1,581 1,582 240.215,583 1.459,584 4.507,585 0.192,586 0.008,587 0.074,588 0.055,589 0.042,590 0.027,591 0.014,592 0.013,593 0.01,594 0.01,595 0.445,596 0.17,597 1,598 0.921,599 114.92,600 -0.111,601 0.011,602 0.052,603 0.055,604 -0.188,605 0.055,606 0.034,607 0.243,608 0.125,609 0.18,610 0.208,611 0.184,612 -0.113,613 -0.052,614 0.022,615 0.027,616 -0.053,617 0.001,618 0.002,619 -0.28,620 -0.103,621 -0.267,622 0.029,623 -0.265,624 -0.07,625 -0.105,626 -0.345,627 -0.252,628 -0.224,629 -0.296,630 -0.028,631 0.002,632 0.031,633 0.022,634 -0.01,635 0.05,636 -0.207,637 0.186,638 0.048,639 0.225,640 -0.17,641 0.153,642 0.096,643 -0.1,644 0.238,645 0.036,646 0.116,647 0.146,648 1.45,649 2.008,650 0.625,651 18.583,652 1.005,653 1.128,654 2.689,655 7.232,656 0.674,657 3.296,658 3.611,659 3.892,660 4.159,661 4.29,662 4.331,663 4.29,664 4.317,665 4.344,666 4.394,667 6.131,668 0.634,669 344.48,670 3.296,671 4.828,672 5.68,673 6.561,674 7.428,675 8.315,676 9.187,677 10.075,678 10.95,679 11.839,680 9.1,684 2,690 2,694 2,695 4,696 2,699 1,700 6,702 16,711 2,716 2,718 44,719 16,720 1,721 26,723 46,724 17,725 12,726 3,727 3,729 3,730 4,739 3,741 12,742 5,753 1,754 1,757 20,758 6,759 4,760 7,761 1,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,804 1,806 2,810 24,811 2,816 3,818 2,825 1,829 4.5,834 2,836 12.667,837 8.4,838 5.444,839 2.408,840 3.148,841 1.446,842 0.987,843 5.286,844 10.206,845 3.555,846 4.201,847 4.833,848 5.447,849 5.906,850 6.155,851 6.357,852 6.616,853 6.607,854 6.732,855 0.857,856 37,857 8.805,859 3.626,860 7.694,861 16.851,863 13.479,865 2.194,866 52.667,869 1,870 188.338,871 120.7,872 99.365,874 22,876 31.278,877 89.422,878 210.337,879 99.365,880 21.766,881 7.604,882 101.872,883 33.888,884 41.431,885 15.998,886 207.844,888 188.338,889 188.788,890 22,891 31.278,893 188.338,894 22,897 9.82,898 145.397,899 33.571,900 31.278,901 188.338,902 121.365,903 120.7,906 188.338,907 62.856,908 57.844,910 121.365,911 188.338,912 121.365,913 120.7,915 0.574,916 0.35,917 0.196,918 0.099,919 17,920 8,921 0.13,922 6,923 1,924 1.133,925 3.608,926 189.694,927 0.133,928 15,929 110.039,930 1,933 17.082,934 7.426,935 3.689,936 1.765,937 121.365,938 7.931,939 8.308,942 1.546,943 4.669,945 65.794,946 430.403,947 34,956 44.207,957 49.654,958 0.309,959 0.676,960 0.807,961 0.861,962 0.894,963 0.919,964 4.779,965 1.032,966 5.666,967 4.312,968 4.29,969 4.887,970 1.376,971 6.485,972 4.161,973 6.001,974 0.812,975 7.231,976 2.372,977 3.892,978 4.808,980 7.416,981 3.728,982 7.324,983 0.756,984 8.894,985 2.034,986 5.889,987 7.181,988 1.159,989 10.513,990 5.667,991 8.688,992 0.348,993 10.615,994 1.321,995 6.312,996 7.943,998 12.295,999 6.052,1000 10.084,1001 0.023,1002 12.376,1003 0.496,1004 7.776,1005 9.796,1006 0.963,1007 14.919,1008 7.476,1009 11.504,1010 -0.296,1011 14.164,1012 0.051,1013 8.585,1014 10.955,1016 17.062,1017 8.243,1018 12.943,1019 -0.478,1020 15.974,1021 -0.707,1022 9.843,1023 12.603,1024 0.787,1025 19.53,1026 9.465,1027 3.187,1028 -0.608,1029 17.801,1030 -1.068,1031 10.833,1032 13.952,1034 21.823,1035 10.409,1036 2.903,1037 11.107,1038 19.641,1039 -1.318,1040 12.012,1041 15.518,1042 0.634,1043 24.24,1044 11.549,1045 2.343,1046 9.167,1047 21.493,1048 4.608,1049 13.084,1050 16.957,1052 26.594,1053 12.574,1054 2.241,1055 6.698,1056 23.354,1057 3.91,1058 14.236,1059 18.491,1060 0.504,1061 28.996,1062 13.683,1063 1.981,1064 6.492,1065 25.223,1066 3.155,1067 15.346,1068 19.973,1070 31.376,1071 14.745,1072 1.824,1073 5.791,1074 27.098,1075 2.855,1076 16.49,1077 21.496,1078 0.395,1079 33.775,1080 15.843,1081 1.611,1082 5.03,1083 28.979,1084 2.789,1085 17.618,1086 22.998,1088 36.167,1089 16.921,1090 6281,1091 10837,1092 17.107,1093 29.671,1094 38.188,1095 38.976,1096 40.239,1097 38.069,1098 38.119,1099 50.563,1100 3.44,1101 109.743,1102 35.394,1103 5.52,1104 5.263,1105 6.349,1106 5.242,1107 5.187,1108 7.608,1109 1.72,1110 17.997,1111 5.032,1112 12.652,1113 1.469,1114 1.499,1115 1.548,1116 1.464,1117 1.466,1118 1.945,1119 0.132,1120 4.221,1121 1.361,1122 4.072,1123 4.094,1124 4.32,1125 4.053,1126 5.303,1127 4.01,1128 3.934,1129 3.951,1130 3.89,1131 3.858,1132 4.981,1133 3.858,1134 3.542,1135 3.609,1136 3.492,1137 3.385,1138 4.913,1139 3.381,1140 3.335,1141 3.386,1142 3.375,1143 3.162,1144 4.619,1145 3.145,1146 3.285,1147 3.345,1148 3.171,1149 3.02,1150 4.601,1151 3.036,1152 3.141,1153 3.23,1154 3.02,1155 2.876,1156 4.176,1157 2.858,1158 3.071,1159 3.189,1160 2.892,1161 2.846,1162 4.086,1163 2.82,1164 2.902,1165 2.977,1166 2.77,1167 2.726,1168 3.884,1169 2.731,1170 0.178,1171 0.125,1172 0.261,1173 0.159,1174 0.123,1175 4.638,1176 0.177,1177 3.263,1178 0.033,1179 6.78,1180 0.427,1181 4.137,1182 0.117,1183 3.187,1184 4.608,1185 0.86,1186 11.107,1187 3.032,1188 1.923,1189 1.902,1190 2.044,1191 2.031,1192 1.325,1193 2.033,1194 1.825,1195 1.796,1196 1.897,1197 1.973,1198 1.071,1199 1.949,1200 1.59,1201 1.553,1202 1.725,1203 1.748,1204 0.855,1205 1.768,1206 1.302,1207 1.271,1208 1.592,1209 1.568,1210 0.642,1211 1.572,1212 1.227,1213 1.166,1214 1.54,1215 1.464,1216 0.584,1217 1.494,1218 1.127,1219 1.034,1220 1.42,1221 1.405,1222 0.553,1223 1.432,1224 0.982,1225 0.922,1226 1.251,1227 1.291,1228 0.343,1229 1.311,1230 0.923,1231 0.826,1232 1.113,1233 1.158,1234 0.12,1235 1.2,1236 3.97,1238 5.283,1239 2.398,1240 6.795,1241 4.727,1242 8.403,1243 6.843,1244 10.064,1246 3.345,1250 11.656,1252 2.727,1254 10.72,1262 27.917,1263 74.29,1264 162.441,1265 193.95,1266 206.705,1267 214.705,1268 220.705,1269 34.388,1270 7.058,1271 96.28,1272 124.52,1273 17,1274 12.372,1275 4.087,1276 3.17,1277 39.41,1278 91,1279 76,1280 0.217,1281 177.469,1282 294.49,1283 424.784,1284 10877,1286 17.104,1287 0.713,1288 0.605,1289 17.458,1290 14.521,1291 11.618,1292 0.447,1293 0.327,1294 7.565,1295 10.654,1296 7.246,1297 6.055,1298 12.072,1299 8.5,1300 10.175,1301 0.283,1302 0.175,1303 10.726,1304 6.298,1305 8.633,1306 0.18,1307 0.101,1308 9.307,1309 4.856,1310 7.472,1311 0.119,1312 0.06,1313 8.364,1314 3.767,1315 5.431,1316 0.075,1317 0.034,1318 6.151,1319 2.418,1320 0.342,1321 77.872,1322 0.242,1323 23.507,1324 0.585,1325 124,1326 370.246,1327 158.979,1328 376.656,1329 517.58,1330 354,1331 146,1332 367.815,1333 177.353,1334 390.235,1335 567.51,1336 363,1337 4.585}
{0 CHEMBL104555,1 1.603,2 6.944,3 2.835,4 8.039,5 77.675,6 8.545,7 0.8,8 3.527,9 3.65,10 3.274,11 3.18,12 4.721,13 3.128,14 3.966,15 4.116,16 3.702,17 3.573,18 5.145,19 3.492,20 4.11,21 4.274,22 3.745,23 3.666,24 5.194,25 3.563,26 4.17,27 4.33,28 3.74,29 3.661,30 5.302,31 3.519,32 4.16,33 4.369,34 3.268,35 3.497,36 5.206,37 3.342,38 4.048,39 4.316,40 2.99,41 3.241,42 4.985,43 3.1,44 3.789,45 4.053,46 2.681,47 2.904,48 4.885,49 2.789,50 3.588,51 3.918,52 2.125,53 2.504,54 4.536,55 2.325,56 0.038,57 0.485,58 5.506,59 2.483,60 9.042,61 2.909,62 0.132,63 0.758,64 10.352,65 4.55,66 15.788,67 5.612,68 0.072,69 0.855,70 12.21,71 5.186,72 10.913,73 6.062,74 0.125,75 0.937,76 18.923,77 6.619,78 15.034,79 7.351,80 0.176,81 0.873,82 18.512,83 5.894,84 24.209,85 6.35,86 0.08,87 0.689,88 14.075,89 5.296,90 16.013,91 7.167,92 0.106,93 0.559,94 9.358,95 3.137,96 20.981,97 4.218,98 0.111,99 0.42,100 9.715,101 2.996,102 20.032,103 4.149,104 10,105 29,106 0.301,107 0.672,108 0.727,109 0.8,110 0.817,111 0.817,112 2.963,113 0.954,114 -4.2,115 -4.14,116 -3.91,119 43.3,120 1,139 5,140 3,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 8,169 1,170 3,172 3,173 3,175 1,178 11,180 1,182 2,187 1,189 10,191 1,193 4,195 1,196 1,197 1,198 4,200 2,201 8,204 4,205 1,207 3,212 2,215 6,218 2,221 4,226 4,229 2,231 4,234 3,239 4,243 4,246 1,251 3,256 3,265 1,270 1,273 308,274 12.069,275 12.069,276 12.069,277 12.069,278 12.069,279 10.101,280 8.75,281 7.042,282 12.405,283 9.873,284 9.873,285 9.873,286 9.873,287 9.873,288 6.975,289 10.888,290 3.353,291 10.471,292 3.304,293 1.332,294 1.037,295 0.65,296 0.558,297 0.558,298 3.636,300 1,301 1,302 1,303 270,304 1.871,306 31.841,307 91.025,310 62.4,314 1.068,315 12.082,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 38,327 125,328 4.727,329 3.352,330 6.936,331 4.241,332 3.295,333 4.699,335 11.633,336 3.121,337 4.092,338 2.746,339 6.159,340 3.669,341 2.708,342 3.684,344 8.947,345 2.604,346 3.632,347 2.324,348 5.218,349 3.165,350 2.222,351 3.096,353 6.316,354 2.088,355 3.411,356 2.057,357 5.066,358 2.877,359 1.982,360 2.795,362 5.833,363 1.775,364 3.175,365 1.836,366 4.78,367 2.683,368 1.741,369 2.457,371 4.831,372 1.613,373 2.764,374 1.502,375 4.109,376 2.353,377 1.381,378 1.862,380 3.312,381 1.336,382 2.5,383 1,384 3.511,385 2,386 1,387 1.5,389 2.415,390 1,391 2.349,392 0.925,393 3.247,394 1.779,395 0.893,396 1.284,398 2.136,399 0.771,400 1.146,401 0.094,402 2.737,403 0.77,404 -0.169,405 -0.206,407 -0.43,408 -0.157,409 1.03,410 -0.24,411 2.676,412 0.575,413 -0.328,414 -0.438,415 -0.887,416 -0.293,417 0.734,418 -0.387,419 2.428,420 0.325,421 -0.589,422 -0.699,423 -1.37,424 -0.533,425 0.5,426 -0.786,427 2.06,428 0.072,429 -0.878,430 -1.174,431 -2.019,432 -0.818,433 0.435,434 -1,435 1.555,437 -1,438 -1.5,439 -2.347,440 -1,441 0.089,442 -1.218,443 1.538,444 -0.367,445 -1.29,446 -1.804,448 -3.844,449 -1.19,450 -0.211,451 -1.329,452 1.453,453 -0.538,454 -1.477,455 -1.897,457 -4.102,458 -1.357,459 8.933,460 0.496,461 0.507,462 0.028,463 26.5,464 1.472,465 15,466 0.833,467 11.5,468 0.639,469 11.999,470 0.667,471 18.067,472 0.602,473 15.726,474 0.874,475 5.064,476 0.281,477 3.601,478 0.2,479 0.146,481 0.392,485 1.165,486 0.928,487 0.742,488 0.686,489 1.386,490 0.704,491 0.303,492 0.746,493 0.678,494 0.797,495 0.364,496 0.745,497 1.054,498 1.004,499 0.893,500 0.86,501 0.897,502 0.87,503 0.614,504 1.393,505 1.527,506 1.656,507 0.577,508 1.276,509 1.655,510 1.083,511 1.748,512 1.408,513 1.549,514 1.302,515 0.671,516 1.037,517 0.702,518 0.914,519 0.563,520 1.003,521 1.515,522 1.106,523 0.832,524 0.862,525 1.552,526 1.13,527 1.28,528 0.795,529 0.675,530 0.635,531 1.391,532 0.863,533 3.5,535 2,536 2.104,537 1.166,538 0.622,539 0.249,540 0.129,541 0.057,542 0.016,543 2567,544 7170,545 2.086,546 40,547 3,548 5,551 4,555 1.592,556 1.929,557 2.81,558 2.05,560 1,562 1,564 48.081,565 1.603,566 3.574,567 3.87,568 4.257,569 4.348,570 4.348,571 2.261,572 3.684,573 4.142,574 2.885,575 441.477,576 7.054,577 4006.5,578 1,579 1,581 1,582 147.207,583 1.481,584 4.09,585 0.175,587 0.069,588 0.073,589 0.045,590 0.035,591 0.017,592 0.013,593 0.011,594 0.016,595 0.452,596 0.5,597 1,598 0.662,599 74.265,600 -0.238,601 0.154,602 0.029,603 0.182,604 -0.385,605 0.13,606 0.518,607 0.282,608 0.236,609 0.175,610 0.342,611 0.172,612 -0.146,613 0.029,614 0.075,615 0.131,616 -0.135,617 0.046,618 0.252,619 -0.351,620 -0.159,621 -0.403,622 0.272,623 -0.287,624 -0.521,625 -0.029,626 -0.573,627 -0.325,628 -0.463,629 -0.362,630 0.112,631 -0.213,632 0.088,633 -0.051,634 0.216,635 0.03,636 -0.298,637 -0.171,638 -0.153,639 -0.139,640 -0.236,641 -0.221,642 -0.116,643 0.047,644 0.138,645 0.175,646 -0.076,647 0.171,648 1.444,649 1.925,650 0.833,651 10.321,652 1.001,653 1.119,654 2.969,655 8.813,656 0.724,657 3.045,658 3.401,659 3.714,660 4.043,661 4.22,662 4.317,663 4.369,664 4.407,665 4.317,666 4.094,667 4.196,668 0.679,669 256.36,670 3.045,671 4.595,672 5.468,673 6.375,674 7.268,675 8.184,676 9.085,677 10.005,678 10.911,679 11.833,680 13.3,684 2,690 2,694 2,695 5,696 2,699 1,700 5,702 16,711 2,718 30,719 16,720 1,721 20,723 32,724 13,725 12,726 1,727 5,729 3,730 4,734 1,741 12,742 1,754 1,757 12,758 4,759 4,760 5,761 1,764 4,769 0.667,776 1,780 1,781 2,784 1,802 2,804 1,806 1,810 18,811 2,825 1,836 9.333,837 5.65,838 3.889,839 1.624,840 3.131,841 1.477,842 1.053,843 2.671,844 9.69,845 3.367,846 4.073,847 4.755,848 5.443,849 5.994,850 6.388,851 6.814,852 7.231,853 7.454,854 7.614,855 0.8,856 29,857 6.585,859 2.798,860 7.694,861 12.558,863 10.351,865 2.194,866 39.5,867 0.001,870 94.169,871 102.331,872 99.365,876 31.278,877 71.053,878 94.169,879 99.365,880 8.825,882 113.176,883 33.888,884 8.944,885 5.585,886 125.447,888 94.169,889 170.418,891 31.278,893 94.169,897 11.041,898 125.806,899 33.571,900 31.278,901 94.169,902 99.365,903 102.331,906 94.169,907 46.124,908 56.206,910 99.365,911 94.169,912 99.365,913 102.331,915 0.589,916 0.353,917 0.206,918 0.108,919 16,920 7,921 0.031,922 1,923 1,924 1.133,925 2.981,926 136.239,927 0.133,928 15,929 71.059,930 1,933 11.417,934 4.212,935 1.862,936 1.754,937 99.365,938 10.179,939 8.269,942 1.594,943 4.112,945 65.794,946 295.865,947 28,956 30.018,957 33.574,958 0.327,959 0.728,960 0.789,961 0.867,962 0.886,963 0.886,964 4.595,965 0.893,966 5.476,967 2.415,968 4.078,969 4.758,971 6.344,972 3.962,973 5.849,974 -0.169,975 7.069,976 2.136,977 3.761,978 4.691,980 7.345,981 3.589,982 7.188,983 -0.328,984 8.765,985 -0.43,986 5.714,987 7.101,989 10.51,990 5.496,991 8.567,992 -0.589,993 10.522,994 -0.887,995 6.217,996 7.879,998 12.368,999 5.941,1000 9.981,1001 -0.878,1002 12.319,1003 -1.37,1004 7.677,1005 9.767,1007 15.061,1008 7.363,1009 11.42,1010 -1,1011 14.145,1012 -2.019,1013 8.561,1014 10.956,1016 17.269,1017 8.186,1018 12.88,1019 -1.29,1020 15.991,1021 -2.347,1022 9.836,1023 12.632,1025 19.801,1026 9.419,1027 3.295,1028 -1.477,1029 17.854,1030 -3.844,1031 10.891,1032 14.017,1034 22.152,1035 10.413,1036 2.708,1037 11.633,1038 19.73,1039 -4.102,1040 12.1,1041 15.608,1043 24.628,1044 11.576,1045 2.222,1046 8.947,1047 21.616,1048 4.699,1049 13.228,1050 17.082,1052 27.037,1053 12.644,1054 1.982,1055 6.316,1056 23.511,1057 3.684,1058 14.417,1059 18.642,1061 29.495,1062 13.783,1063 1.741,1064 5.833,1065 25.412,1066 3.096,1067 15.578,1068 20.155,1070 31.928,1071 14.885,1072 1.381,1073 4.831,1074 27.318,1075 2.795,1076 16.763,1077 21.705,1079 34.381,1080 16.016,1081 1,1082 3.312,1083 29.229,1084 2.457,1085 17.938,1086 23.236,1088 36.825,1089 17.135,1090 2539,1091 4350,1092 13.235,1093 21.716,1094 30.9,1095 30.341,1096 31.654,1097 30.494,1098 30.444,1099 42.758,1101 90.845,1102 28.616,1103 5.37,1104 5.352,1105 6.738,1106 5.37,1107 5.295,1108 7.699,1110 19.04,1111 5.121,1112 8.288,1113 1.545,1114 1.517,1115 1.583,1116 1.525,1117 1.522,1118 2.138,1120 4.542,1121 1.431,1122 4.096,1123 4.112,1124 4.346,1125 4.095,1126 5.303,1127 4.051,1128 3.83,1129 3.867,1130 3.77,1131 3.76,1132 4.981,1133 3.753,1134 3.403,1135 3.474,1136 3.472,1137 3.216,1138 4.783,1139 3.229,1140 3.077,1141 3.19,1142 3.126,1143 2.939,1144 4.552,1145 2.872,1146 2.986,1147 3.078,1148 2.821,1149 2.735,1150 4.078,1151 2.715,1152 2.854,1153 2.925,1154 2.687,1155 2.705,1156 3.76,1157 2.714,1158 2.789,1159 2.86,1160 2.681,1161 2.664,1162 3.674,1163 2.647,1164 2.36,1165 2.491,1166 2.272,1167 2.03,1168 3.593,1169 2.009,1170 0.236,1171 0.168,1172 0.347,1173 0.212,1174 0.165,1175 4.727,1176 0.235,1177 3.352,1179 6.936,1180 0.582,1181 4.241,1182 0.156,1183 3.295,1184 4.699,1186 11.633,1187 3.121,1188 1.919,1189 1.897,1190 2.024,1191 1.999,1192 1.14,1193 2.003,1194 1.811,1195 1.781,1196 1.867,1197 1.952,1198 0.983,1199 1.941,1200 1.448,1201 1.421,1202 1.6,1203 1.595,1204 0.686,1205 1.624,1206 1.024,1207 0.972,1208 1.266,1209 1.351,1210 0.35,1211 1.342,1212 0.945,1213 0.825,1214 1.181,1215 1.164,1216 0.218,1217 1.214,1218 0.886,1219 0.821,1220 1.152,1221 1.062,1223 1.107,1224 0.786,1225 0.714,1226 1.032,1227 1.047,1229 1.072,1230 0.476,1231 0.386,1232 0.675,1233 0.661,1235 0.73,1236 3.714,1238 5.056,1239 2.398,1240 6.603,1241 4.844,1242 8.244,1243 7.05,1244 9.936,1246 2.039,1250 11.552,1262 20.38,1263 48.081,1264 107.233,1265 116.087,1266 127.697,1267 130.452,1268 130.452,1269 19.641,1270 6.558,1271 77.82,1272 106.06,1273 17,1274 12.343,1275 4.087,1276 3.17,1277 25.585,1278 46,1279 42,1280 0.296,1281 131.107,1282 207.71,1283 311.661,1284 4943,1286 12.698,1287 0.705,1288 0.592,1289 13.052,1290 10.661,1291 8.665,1292 0.433,1293 0.318,1294 5.563,1295 8.036,1296 5.314,1297 4.436,1298 9.073,1299 6.357,1300 8.048,1301 0.278,1302 0.175,1303 8.664,1304 5.068,1305 6.793,1306 0.17,1307 0.103,1308 7.653,1309 4.106,1310 6.261,1311 0.112,1312 0.058,1313 7.328,1314 3.253,1315 4.545,1316 0.068,1317 0.031,1318 5.449,1319 2.047,1320 0.437,1321 57.465,1322 0.275,1323 17.572,1324 0.898,1325 98,1326 254.775,1327 130.562,1328 280.164,1329 395.45,1330 262,1331 118,1332 290.067,1333 148.716,1334 314.263,1335 464.36,1336 296,1337 4.244}
{0 CHEMBL104770,1 1.447,2 7.905,3 4.66,4 21.714,5 92.534,6 6.767,7 0.435,8 3.878,9 4.025,10 3.415,11 3.454,12 4.811,13 3.367,14 4.459,15 4.665,16 3.803,17 3.89,18 5.329,19 3.748,20 4.769,21 5.036,22 3.857,23 4.052,24 5.492,25 3.876,26 4.841,27 5.09,28 3.965,29 4.136,30 5.617,31 3.947,32 4.933,33 5.196,34 3.783,35 4.165,36 5.647,37 3.956,38 4.937,39 5.225,40 3.622,41 4.075,42 5.6,43 3.844,44 4.761,45 5.076,46 3.275,47 3.773,48 5.463,49 3.528,50 4.405,51 4.742,52 2.858,53 3.299,54 5.179,55 3.086,56 0.065,57 0.698,58 11.619,59 4.494,60 8.04,61 6.325,62 0.206,63 1.139,64 22.051,65 8.564,66 21.019,67 11.691,68 0.185,69 1.393,70 31.166,71 11.156,72 18.621,73 15.313,74 0.25,75 1.539,76 35.981,77 12.347,78 25.943,79 16.919,80 0.263,81 1.612,82 39.373,83 13.263,84 25.209,85 17.91,86 0.249,87 1.519,88 36.706,89 12.59,90 23.371,91 17.667,92 0.264,93 1.212,94 31.423,95 9.53,96 26.696,97 13.786,98 0.224,99 0.821,100 21.279,101 5.497,102 23.703,103 8.68,104 5,105 31,106 0.254,107 0.478,108 0.583,109 0.694,110 0.776,111 0.831,112 3.104,113 1.161,114 -4.95,115 -4.85,116 -4.55,119 35.6,121 10,140 2,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 11,169 1,170 3,172 3,173 3,175 1,178 14,180 1,182 2,187 1,189 14,191 1,193 4,195 1,196 1,197 1,198 4,200 2,201 14,204 4,205 1,207 4,212 3,215 14,218 3,221 4,226 4,229 9,231 4,234 4,239 4,241 2,243 4,246 4,251 4,256 4,260 1,265 3,270 3,273 495,274 14.397,275 14.397,276 14.397,277 14.397,278 14.397,279 13.17,280 12.033,281 8.899,282 14.744,283 11.416,284 11.416,285 11.416,286 11.416,287 11.416,288 9.466,289 11.497,290 4.315,291 12.028,292 4.045,293 2.765,294 2.167,295 1.534,296 1.067,297 0.756,298 3.79,301 1,302 1,303 356,304 1.732,306 22.624,307 34.018,310 47.525,313 71.513,314 1.156,315 12.823,317 1,318 1,319 0.83,320 1,321 1,322 1,323 1,324 1,325 0.98,326 44,327 166,328 4.71,329 3.385,330 6.922,331 4.223,332 3.276,333 4.682,335 11.66,336 3.107,337 3.866,338 2.684,339 5.776,340 3.444,341 2.513,342 3.343,344 7.777,345 2.337,346 3.449,347 2.223,348 5.163,349 2.992,350 2.072,351 2.824,353 6.128,354 1.926,355 3.265,356 1.999,357 4.966,358 2.907,359 1.94,360 2.536,362 5.593,363 1.867,364 2.898,365 1.915,366 4.435,367 2.753,368 1.825,369 1.904,371 4.214,372 1.732,373 2.835,374 1.866,375 3.915,376 2.749,377 1.765,378 1.862,380 3.804,381 1.652,382 2.471,383 1.439,384 3.68,385 2.252,386 1.3,387 1.467,389 3.052,390 1.226,391 2.213,392 1.17,393 3.332,394 2.157,395 1.165,396 1.205,398 2.438,399 1.153,400 1.814,401 0.693,402 3.172,403 1.604,404 0.666,405 0.746,407 1.542,408 0.614,409 1.269,410 0.235,411 2.739,412 1.153,413 0.17,414 0.179,415 0.37,416 0.166,417 1.069,418 0.077,419 2.532,420 0.878,421 -0.092,422 -0.1,423 -0.222,424 -0.089,425 1.025,426 -0.182,427 2.445,428 0.627,429 -0.268,430 -0.347,431 -0.716,432 -0.239,433 0.707,434 -0.334,435 2.329,436 0.369,437 -0.537,438 -0.633,439 -1.278,440 -0.484,441 0.235,442 -0.778,443 2,444 0.061,445 -0.902,446 -0.974,448 -2.039,449 -0.827,450 0.154,451 -0.827,452 1.55,453 0.042,454 -0.933,455 -0.978,457 -2.124,458 -0.924,459 10.433,460 0.497,461 0.418,462 0.02,463 22,464 1.048,465 9,466 0.429,467 13,468 0.619,469 22.933,470 1.092,471 23.767,472 0.528,473 11.066,474 0.527,475 3.115,476 0.148,477 7.139,478 0.34,479 0.077,481 0.288,485 1.106,486 1.175,487 0.881,488 0.956,489 1.197,490 1.003,491 0.353,492 1.039,493 0.833,494 1.055,495 0.287,496 1.076,497 0.761,498 0.963,499 0.865,500 0.91,501 0.593,502 0.883,503 0.46,504 1.186,505 1.049,506 1.239,507 0.448,508 1.095,509 1.058,510 1.089,511 1.333,512 1.249,513 0.963,514 1.145,515 0.918,516 1.051,517 1.06,518 1.094,519 0.837,520 1.112,521 1.221,522 0.986,523 1.083,524 1.007,525 1.237,526 1.016,527 1.593,528 0.897,529 0.931,530 0.774,531 1.693,532 0.835,533 3,534 0.02,535 1.556,536 1.917,537 1.134,538 0.633,539 0.35,540 0.194,541 0.1,542 0.062,543 3995,544 7904,545 2.102,546 53.3,547 18,551 4,552 2,555 1.637,556 2,557 2.994,558 1.874,564 65.094,565 1.447,566 2.727,567 3.325,568 3.958,569 4.425,570 4.736,571 2.298,572 4.297,573 4.37,574 3.077,575 646.121,576 7.511,577 6669.97,579 1,582 247.133,583 1.268,584 4.338,585 0.13,586 0.01,587 0.05,588 0.058,589 0.033,590 0.021,591 0.015,592 0.012,593 0.009,594 0.01,595 0.349,596 0.17,597 1,598 0.532,599 92.856,600 -0.113,601 0.091,602 0.062,603 0.125,604 -0.084,605 0.089,606 0.43,607 0.076,608 0.13,609 0.018,610 0.393,611 -0.008,612 0.044,613 0.031,614 0.135,615 0.127,616 0.09,617 0.136,618 0.27,619 -0.16,620 0.067,621 -0.104,622 0.259,623 -0.043,624 -0.154,625 -0.064,626 -0.201,627 -0.144,628 -0.119,629 -0.126,630 -0.081,631 -0.11,632 -0.11,633 -0.118,634 -0.074,635 -0.128,636 -0.14,637 -0.075,638 -0.112,639 -0.085,640 -0.145,641 -0.086,642 -0.187,643 -0.009,644 -0.046,645 0.015,646 -0.217,647 0.024,648 1.378,649 2.117,650 0.905,651 12.98,652 0.985,653 1.135,654 3.718,655 13.823,656 0.651,657 3.178,658 3.466,659 3.738,660 4.06,661 4.248,662 4.394,663 4.466,664 4.554,665 4.533,666 4.489,667 4.769,668 0.59,669 304.51,670 3.178,671 4.691,672 5.533,673 6.412,674 7.283,675 8.179,676 9.066,677 9.973,678 10.869,679 11.781,680 8.9,684 2,690 2,694 2,696 2,699 1,700 4,702 10,711 2,718 45,719 10,721 23,723 47,724 16,725 6,729 3,730 6,736 10,739 10,741 6,742 10,754 1,757 24,758 4,759 4,760 5,761 1,764 4,769 0.333,776 1,780 1,781 1,784 1,787 1,802 1,804 1,810 21,811 2,816 10,825 1,836 10.5,837 7.733,838 4.694,839 3.2,840 2.138,841 1.302,842 1.001,843 4.941,844 9.225,845 3.367,846 3.956,847 4.579,848 5.251,849 5.754,850 6.14,851 6.451,852 6.775,853 6.711,854 6.561,855 0.667,856 33,857 7.805,859 3.273,860 7.444,861 15.706,863 13.373,865 1.944,866 40.833,867 0.002,869 1,870 235.422,871 68.284,872 99.365,876 31.278,877 37.006,878 235.422,879 99.365,881 25.345,882 65.794,883 33.888,884 5.759,885 5.585,886 266.7,888 235.422,889 136.372,891 31.278,893 235.422,897 27.561,898 75.239,899 33.571,900 31.278,901 235.422,902 99.365,903 68.284,906 235.422,907 68.284,910 99.365,911 235.422,912 99.365,913 68.284,915 0.565,916 0.324,917 0.191,918 0.105,919 15,920 6,923 2,924 1.211,925 3.281,926 163.699,927 0.211,928 19,929 92.239,930 1,933 15.017,934 6.909,935 3.475,936 2.043,937 99.365,939 8.555,942 1.768,943 3.699,945 65.794,946 403.071,947 28,956 44.32,957 51.065,958 0.263,959 0.496,960 0.605,961 0.721,962 0.806,963 0.862,964 4.59,965 1.165,966 5.493,967 3.052,968 4.143,969 4.64,971 6.301,972 4.035,973 5.771,974 0.666,975 7.036,976 2.438,977 3.611,978 4.559,980 7.213,981 3.408,982 7.078,983 0.17,984 8.692,985 1.542,986 5.7,987 6.91,989 10.401,990 5.485,991 8.433,992 -0.092,993 10.42,994 0.37,995 6.066,996 7.755,998 12.264,999 5.757,1000 9.833,1001 -0.268,1002 12.198,1003 -0.222,1004 7.595,1005 9.591,1007 14.961,1008 7.271,1009 11.266,1010 -0.537,1011 14.011,1012 -0.716,1013 8.417,1014 10.845,1016 17.198,1017 8.013,1018 12.725,1019 -0.902,1020 15.851,1021 -1.278,1022 9.722,1023 12.494,1025 19.735,1026 9.29,1027 3.276,1028 -0.933,1029 17.711,1030 -2.039,1031 10.756,1032 13.92,1034 22.112,1035 10.256,1036 2.513,1037 11.66,1038 19.587,1039 -2.124,1040 11.978,1041 15.502,1043 24.595,1044 11.44,1045 2.072,1046 7.777,1047 21.475,1048 4.682,1049 13.101,1050 16.998,1052 27.022,1053 12.504,1054 1.94,1055 6.128,1056 23.373,1057 3.343,1058 14.296,1059 18.554,1061 29.487,1062 13.653,1063 1.825,1064 5.593,1065 25.278,1066 2.824,1067 15.455,1068 20.078,1070 31.933,1071 14.757,1072 1.765,1073 4.214,1074 27.189,1075 2.536,1076 16.642,1077 21.626,1079 34.392,1080 15.895,1081 1.3,1082 3.804,1083 29.104,1084 1.904,1085 17.817,1086 23.162,1088 36.844,1089 17.016,1090 3900,1091 5688,1092 15.603,1093 29.285,1094 33.232,1095 33.34,1096 34.286,1097 33.51,1098 33.383,1099 41.495,1101 93.155,1102 31.561,1103 5.686,1104 5.385,1105 6.847,1106 5.353,1107 5.276,1108 7.682,1110 18.775,1111 5.107,1112 7.763,1113 1.445,1114 1.45,1115 1.491,1116 1.457,1117 1.451,1118 1.804,1120 4.05,1121 1.372,1122 4.09,1123 4.111,1124 4.34,1125 4.081,1126 5.301,1127 4.034,1128 3.784,1129 3.848,1130 3.634,1131 3.666,1132 4.981,1133 3.646,1134 3.622,1135 3.691,1136 3.527,1137 3.501,1138 4.605,1139 3.477,1140 3.514,1141 3.585,1142 3.429,1143 3.34,1144 4.227,1145 3.347,1146 3.179,1147 3.261,1148 3.212,1149 3.054,1150 4.047,1151 3.004,1152 3.114,1153 3.205,1154 2.995,1155 2.935,1156 4.024,1157 2.917,1158 3.033,1159 3.148,1160 2.819,1161 2.754,1162 3.742,1163 2.758,1164 2.772,1165 2.878,1166 2.608,1167 2.583,1168 3.541,1169 2.548,1170 0.205,1171 0.147,1172 0.301,1173 0.184,1174 0.142,1175 4.71,1176 0.204,1177 3.385,1179 6.922,1180 0.507,1181 4.223,1182 0.135,1183 3.276,1184 4.682,1186 11.66,1187 3.107,1188 1.881,1189 1.841,1190 2.08,1191 2.015,1192 1.448,1193 2.032,1194 1.787,1195 1.744,1196 1.933,1197 1.948,1198 1.283,1199 1.943,1200 1.65,1201 1.595,1202 1.88,1203 1.813,1204 1.204,1205 1.849,1206 1.593,1207 1.548,1208 1.723,1209 1.73,1210 0.91,1211 1.765,1212 1.147,1213 1.09,1214 1.474,1215 1.396,1216 0.758,1217 1.407,1218 1.128,1219 1.042,1220 1.38,1221 1.345,1222 0.661,1223 1.385,1224 0.944,1225 0.857,1226 1.252,1227 1.246,1228 0.259,1229 1.285,1230 0.851,1231 0.751,1232 1.067,1233 1.128,1234 0.217,1235 1.154,1236 3.85,1238 5.142,1239 2.398,1240 6.619,1241 4.844,1242 8.205,1243 7.05,1244 9.86,1250 11.857,1252 12.913,1262 26.541,1263 65.094,1264 122.695,1265 149.624,1266 178.114,1267 199.133,1268 213.133,1269 28.962,1270 7.087,1271 77.82,1272 106.06,1273 23,1274 12.299,1275 3.459,1276 2.585,1277 31.948,1278 61,1279 52,1280 0.267,1281 168.666,1282 278.43,1283 403.306,1284 11437,1286 14.656,1287 0.698,1288 0.635,1289 15.01,1290 13.345,1291 10.254,1292 0.446,1293 0.387,1294 8.11,1295 9.611,1296 7.885,1297 6.563,1298 10.662,1299 8.904,1300 8.957,1301 0.289,1302 0.228,1303 9.599,1304 7.063,1305 7.248,1306 0.177,1307 0.135,1308 8.024,1309 5.546,1310 6.537,1311 0.115,1312 0.08,1313 7.56,1314 4.54,1315 4.985,1316 0.072,1317 0.048,1318 5.877,1319 3.298,1320 0.401,1321 67,1322 0.253,1323 20.342,1324 0.782,1325 108,1326 232.775,1327 140.562,1328 255.485,1329 360.7,1330 240,1331 126,1332 262.067,1333 155.046,1334 282.612,1335 418.96,1336 268,1337 5.032}
{0 CHEMBL104787,1 1.722,2 8.696,3 2.837,4 8.051,5 95.15,6 8.06,7 0.64,8 3.828,9 3.943,10 3.504,11 3.372,12 5.002,13 3.342,14 4.315,15 4.479,16 3.904,17 3.749,18 5.436,19 3.697,20 4.397,21 4.529,22 3.964,23 3.886,24 5.496,25 3.817,26 4.576,27 4.734,28 3.976,29 3.955,30 5.652,31 3.837,32 4.671,33 4.905,34 3.746,35 3.894,36 5.617,37 3.738,38 4.551,39 4.797,40 3.707,41 3.755,42 5.448,43 3.625,44 4.432,45 4.635,46 3.562,47 3.618,48 5.475,49 3.526,50 4.371,51 4.596,52 3.367,53 3.499,54 5.424,55 3.379,56 0.067,57 0.627,58 8.435,59 3.746,60 10.807,61 4.455,62 0.308,63 0.956,64 17.321,65 6.591,66 26.981,67 7.787,68 0.179,69 1.089,70 18.216,71 7.271,72 14.324,73 8.28,74 0.256,75 1.258,76 24.474,77 9.003,78 24.885,79 10.847,80 0.47,81 1.262,82 30.794,83 9.691,84 41.14,85 12.024,86 0.227,87 1.061,88 24.808,89 8.835,90 24.338,91 11.509,92 0.406,93 0.944,94 23.145,95 7.203,96 33.674,97 8.439,98 0.343,99 0.89,100 20.272,101 6.685,102 29.706,103 8.744,104 30,105 36,106 0.304,107 0.654,108 0.768,109 0.814,110 0.832,111 0.857,112 3.189,113 0.944,114 -3.68,115 -3.64,116 -3.47,119 39,120 1,121 1,124 2,139 3,140 3,141 2,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 5,169 1,170 7,172 3,173 3,175 1,178 8,180 1,182 7,187 1,189 8,191 1,193 5,195 1,196 1,197 1,198 4,200 2,201 5,204 4,205 1,206 1,207 4,212 2,215 4,218 2,221 6,226 3,229 4,231 3,233 1,234 4,239 2,241 2,243 2,245 2,246 2,248 1,249 1,251 2,256 2,259 1,260 1,262 2,263 2,265 2,270 2,273 673,274 15.411,275 15.411,276 15.411,277 15.411,278 15.411,279 13.408,280 21.6,281 8.781,282 16.109,283 12.188,284 12.188,285 12.188,286 12.188,287 12.188,288 9.048,289 28.925,290 3.996,291 13.167,292 3.636,293 1.648,294 1,295 0.738,296 0.641,297 0.494,298 3.864,300 1,301 1,302 1,303 422,304 2.739,306 44.872,307 131.939,310 88.175,314 1.214,315 19.601,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 50,327 200,328 4.701,329 3.395,330 6.876,331 4.209,332 3.264,333 4.676,334 0.86,335 11.411,336 3.089,337 4.272,338 3.163,339 6.199,340 3.872,341 2.906,342 3.917,343 0.86,344 9.273,345 2.807,346 3.833,347 2.712,348 5.692,349 3.387,350 2.463,351 3.317,352 0.68,353 7.504,354 2.271,355 3.543,356 2.62,357 5.221,358 3.155,359 2.232,360 2.862,362 6.486,363 2.051,364 3.436,365 2.23,366 5.142,367 2.951,368 2.045,369 2.807,371 6.057,372 1.847,373 3.237,374 2.012,375 4.964,376 2.747,377 1.844,378 2.507,380 5.56,381 1.645,382 2.87,383 1.826,384 4.432,385 2.485,386 1.522,387 2.002,389 4.167,390 1.457,391 2.513,392 1.43,393 4.15,394 2.071,395 1.16,396 1.517,398 3.231,399 1.037,400 1.942,401 1.222,402 3.144,403 1.643,404 0.773,405 0.873,407 1.368,408 0.665,409 1.493,410 0.915,411 2.945,412 1.217,413 0.356,414 0.394,415 0.525,416 0.303,417 1.274,418 0.361,419 2.725,420 0.959,421 0.038,422 0.045,423 0.086,424 0.034,425 1.143,426 0.091,427 2.625,428 0.729,429 -0.183,430 -0.229,431 -0.467,432 -0.166,433 0.912,434 -0.103,435 2.487,436 0.503,437 -0.407,438 -0.51,439 -0.902,440 -0.365,441 0.678,442 -0.297,443 2.272,444 0.314,445 -0.585,446 -0.684,448 -1.295,449 -0.521,450 0.578,451 -0.434,452 2.169,453 0.194,454 -0.742,455 -0.91,457 -1.868,458 -0.68,459 11.1,460 0.483,461 0.644,462 0.028,463 31,464 1.348,465 16,466 0.696,467 15,468 0.652,469 18.781,470 0.817,471 24.9,472 0.607,473 21.123,474 0.918,475 6.14,476 0.267,477 4.888,478 0.213,479 0.207,481 0.405,485 1.015,486 1.145,487 0.763,488 0.917,489 1.221,490 0.868,491 1.094,492 0.689,493 0.71,494 0.686,495 0.67,496 0.634,497 1.142,498 1.187,499 1.125,500 1.118,501 0.954,502 1.018,503 0.896,504 1.403,505 1.265,506 1.474,507 0.799,508 1.343,509 0.868,510 0.951,511 1.304,512 1.17,513 1.124,514 1.111,515 0.664,516 0.988,517 0.76,518 1.006,519 0.604,520 0.949,521 1.585,522 0.995,523 1.279,524 1.062,525 1.298,526 1,527 0.862,528 1.235,529 1.095,530 1.222,531 0.827,532 1.224,533 5.5,534 0.049,535 2.667,536 2.479,537 1.543,538 0.903,539 0.514,540 0.385,541 0.254,542 0.155,543 5044,544 14977,545 2.016,546 43.9,547 3,548 9,551 4,552 2,555 1.661,556 1.84,557 3.104,558 1.865,559 1,560 1,562 1,564 70.601,565 1.722,566 3.71,567 4.357,568 4.619,569 4.717,570 4.863,571 2.459,572 4.35,573 4.497,574 3.229,575 816.977,576 7.763,577 9129.84,578 1,579 1,581 1,582 219.66,583 1.538,584 4.428,585 0.22,586 0.008,587 0.074,588 0.065,589 0.045,590 0.033,591 0.019,592 0.015,593 0.013,594 0.011,595 0.505,596 0.17,597 1,598 0.982,599 106.012,600 -0.126,601 0.014,602 0.049,603 0.06,604 -0.25,605 0.06,606 0.036,607 0.357,608 0.256,609 0.341,610 0.203,611 0.33,612 -0.195,613 -0.048,614 -0.105,615 -0.017,616 -0.145,617 -0.058,618 -0.025,619 -0.34,620 -0.17,621 -0.332,622 0.03,623 -0.344,624 -0.026,625 0.056,626 -0.178,627 -0.092,628 -0.197,629 -0.108,630 0.103,631 -0.092,632 0.195,633 -0.016,634 0.146,635 0.086,636 -0.228,637 -0.031,638 -0.208,639 -0.042,640 -0.183,641 -0.047,642 0.139,643 -0.295,644 -0.168,645 -0.289,646 0.117,647 -0.256,648 1.471,649 1.997,650 0.652,651 16.185,652 1.008,653 1.128,654 2.446,655 5.983,656 0.681,657 3.258,658 3.611,659 3.912,660 4.205,661 4.394,662 4.511,663 4.554,664 4.635,665 4.682,666 4.644,667 5.283,668 0.644,669 330.45,670 3.258,671 4.812,672 5.68,673 6.581,674 7.467,675 8.374,676 9.267,677 10.177,678 11.074,679 11.985,680 9.8,684 2,690 2,694 2,695 3,696 2,699 1,700 7,702 16,711 2,716 2,718 41,719 16,720 1,721 25,723 43,724 16,725 12,726 3,727 3,729 3,730 4,734 1,739 1,741 12,742 4,753 1,754 1,757 18,758 6,759 4,760 7,761 1,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,804 1,806 3,810 23,811 2,816 1,818 2,825 1,829 4.9,834 2,836 12.5,837 8.317,838 5.139,839 2.124,840 3.206,841 1.455,842 0.993,843 4.481,844 10.247,845 3.526,846 4.216,847 4.865,848 5.509,849 6.031,850 6.372,851 6.712,852 7.12,853 7.353,854 7.601,855 0.833,856 38,857 8.424,859 3.493,860 7.732,861 15.993,863 12.795,865 2.232,866 51.333,869 1,870 164.795,871 118.166,872 99.365,874 22,876 31.278,877 86.888,878 186.795,879 99.365,880 30.591,881 2.535,882 94.223,883 33.888,884 41.431,885 5.585,886 196.073,888 164.795,889 186.253,890 22,891 31.278,893 164.795,894 22,897 13.576,898 139.107,899 33.571,900 31.278,901 164.795,902 121.365,903 118.166,906 164.795,907 59.146,908 59.02,910 121.365,911 164.795,912 121.365,913 118.166,915 0.585,916 0.359,917 0.199,918 0.104,919 18,920 9,921 0.093,922 4,923 1,924 1.133,925 3.384,926 187.546,927 0.133,928 15,929 104.042,930 1,933 16.117,934 6.395,935 3.02,936 1.686,937 121.365,938 5.763,939 8.336,942 1.572,943 5.503,945 65.794,946 404.326,947 33,956 41.323,957 46.238,958 0.321,959 0.692,960 0.813,961 0.862,962 0.88,963 0.908,964 4.771,965 1.16,966 5.694,967 4.167,968 4.29,969 4.902,970 1.586,971 6.55,972 4.151,973 6.021,974 0.773,975 7.286,976 3.231,977 4.007,978 4.913,980 7.526,981 3.825,982 7.364,983 0.356,984 8.973,985 1.368,986 5.932,987 7.232,988 1.285,989 10.641,990 5.69,991 8.744,992 0.038,993 10.714,994 0.525,995 6.431,996 8.04,998 12.433,999 6.145,1000 10.154,1001 -0.183,1002 12.49,1003 0.086,1004 7.865,1005 9.874,1006 1.035,1007 15.09,1008 7.534,1009 11.586,1010 -0.407,1011 14.292,1012 -0.467,1013 8.726,1014 11.062,1016 17.244,1017 8.347,1018 13.036,1019 -0.585,1020 16.113,1021 -0.902,1022 9.978,1023 12.707,1024 0.828,1025 19.744,1026 9.558,1027 3.264,1028 -0.742,1029 17.95,1030 -1.295,1031 11.006,1032 14.079,1034 22.054,1035 10.533,1036 2.906,1037 11.411,1038 19.801,1039 -1.868,1040 12.193,1041 15.65,1042 0.656,1043 24.501,1044 11.676,1045 2.463,1046 9.273,1047 21.662,1048 4.676,1049 13.296,1050 17.109,1052 26.879,1053 12.725,1054 2.232,1055 7.504,1056 23.534,1057 3.917,1058 14.463,1059 18.653,1060 0.515,1061 29.31,1062 13.844,1063 2.045,1064 6.486,1065 25.413,1066 3.317,1067 15.601,1068 20.153,1070 31.716,1071 14.926,1072 1.844,1073 6.057,1074 27.298,1075 2.862,1076 16.764,1077 21.689,1078 0.401,1079 34.144,1080 16.039,1081 1.522,1082 5.56,1083 29.19,1084 2.807,1085 17.919,1086 23.208,1088 36.563,1089 17.137,1090 5030,1091 8784,1092 16.126,1093 27.909,1094 37.279,1095 38.246,1096 39.93,1097 37.153,1098 37.202,1099 49.835,1100 4.8,1101 111.339,1102 34.411,1103 5.493,1104 5.395,1105 6.445,1106 5.338,1107 5.264,1108 7.676,1109 1.72,1110 18.576,1111 5.089,1112 13.287,1113 1.491,1114 1.53,1115 1.597,1116 1.486,1117 1.488,1118 1.993,1119 0.192,1120 4.454,1121 1.376,1122 4.09,1123 4.107,1124 4.339,1125 4.08,1126 5.303,1127 4.036,1128 3.902,1129 3.92,1130 3.866,1131 3.822,1132 4.981,1133 3.824,1134 3.462,1135 3.527,1136 3.509,1137 3.278,1138 4.914,1139 3.292,1140 3.321,1141 3.37,1142 3.183,1143 3.036,1144 4.614,1145 3.058,1146 3.173,1147 3.26,1148 3.128,1149 2.971,1150 4.593,1151 2.948,1152 3.106,1153 3.203,1154 2.946,1155 2.869,1156 4.168,1157 2.851,1158 3.025,1159 3.141,1160 2.859,1161 2.836,1162 4.079,1163 2.784,1164 2.934,1165 3.011,1166 2.808,1167 2.703,1168 3.769,1169 2.713,1170 0.188,1171 0.136,1172 0.275,1173 0.168,1174 0.131,1175 4.701,1176 0.187,1177 3.395,1178 0.034,1179 6.876,1180 0.456,1181 4.209,1182 0.124,1183 3.264,1184 4.676,1185 0.86,1186 11.411,1187 3.089,1188 1.914,1189 1.899,1190 2.008,1191 2.013,1192 1.213,1193 2.011,1194 1.818,1195 1.788,1196 1.88,1197 1.973,1198 1.012,1199 1.949,1200 1.541,1201 1.525,1202 1.635,1203 1.661,1204 0.805,1205 1.689,1206 1.24,1207 1.181,1208 1.591,1209 1.566,1210 0.588,1211 1.571,1212 1.157,1213 1.072,1214 1.544,1215 1.452,1216 0.569,1217 1.486,1218 1.109,1219 1.021,1220 1.434,1221 1.357,1222 0.534,1223 1.381,1224 0.946,1225 0.845,1226 1.264,1227 1.325,1228 0.153,1229 1.341,1230 0.885,1231 0.823,1232 1.048,1233 1.11,1234 0.045,1235 1.134,1236 3.932,1238 5.273,1239 2.398,1240 6.812,1241 4.844,1242 8.445,1243 7.034,1244 10.126,1246 5.333,1250 11.685,1252 0.701,1254 10.755,1262 26.39,1263 70.601,1264 152.096,1265 178.64,1266 189.395,1267 193.395,1268 199.395,1269 32.197,1270 7.041,1271 96.28,1272 124.52,1273 17,1274 12.503,1275 4.087,1276 3.17,1277 36.689,1278 73,1279 70,1280 0.254,1281 167.877,1282 277.19,1283 401.379,1284 9570,1286 16.56,1287 0.72,1288 0.61,1289 16.914,1290 14.03,1291 11.028,1292 0.441,1293 0.315,1294 6.989,1295 10.074,1296 6.63,1297 5.554,1298 11.437,1299 7.866,1300 9.998,1301 0.278,1302 0.173,1303 10.64,1304 6.236,1305 8.593,1306 0.175,1307 0.101,1308 9.384,1309 4.958,1310 7.466,1311 0.113,1312 0.058,1313 8.494,1314 3.81,1315 5.502,1316 0.069,1317 0.031,1318 6.378,1319 2.481,1320 0.387,1321 73.877,1322 0.249,1323 22.126,1324 0.73,1325 122,1326 370.246,1327 160.32,1328 376.783,1329 520.49,1330 354,1331 146,1332 372.158,1333 180.694,1334 396.525,1335 579.68,1336 369,1337 6.398}
{0 CHEMBL105020,1 1.79,2 8.045,3 0.818,4 0.669,5 80.48,6 8.398,7 0.667,8 3.749,9 3.868,10 3.388,11 3.132,12 5.05,13 3.197,14 4.194,15 4.348,16 3.765,17 3.48,18 5.482,19 3.538,20 4.288,21 4.42,22 3.857,23 3.571,24 5.686,25 3.627,26 4.393,27 4.551,28 3.783,29 3.601,30 5.707,31 3.614,32 4.48,33 4.694,34 3.586,35 3.547,36 5.665,37 3.514,38 4.339,39 4.554,40 3.481,41 3.401,42 5.477,43 3.379,44 4.187,45 4.414,46 3.327,47 3.265,48 5.37,49 3.245,50 4.148,51 4.407,52 3.217,53 3.104,54 5.309,55 3.044,56 0.202,57 0.57,58 6.478,59 2.373,60 18.164,61 2.919,62 0.456,63 0.822,64 12.332,65 4.256,66 33.515,67 5.188,68 0.541,69 0.918,70 12.009,71 4.053,72 38.565,73 5.095,74 0.55,75 0.939,76 14.295,77 5.102,78 39.365,79 6.479,80 0.748,81 0.874,82 19.212,83 5.238,84 67.773,85 7.347,86 0.596,87 0.752,88 17.164,89 4.791,90 42.162,91 6.818,92 0.475,93 0.681,94 13.763,95 3.33,96 36.098,97 5.071,98 0.49,99 0.553,100 15.378,101 4.205,102 44.13,103 6.743,104 30,105 35,106 0.324,107 0.701,108 0.767,109 0.788,110 0.788,111 0.788,112 3.148,113 0.784,114 -2.28,115 -2.32,116 -2.29,119 36.1,124 2,139 2,140 1,141 3,143 1,144 1,147 1,155 2,157 2,158 2,159 2,166 2,169 1,170 3,172 3,173 5,175 1,178 1,181 2,182 4,184 1,185 3,187 4,192 1,193 3,195 1,196 2,197 3,198 1,200 4,205 1,206 2,207 3,209 1,210 3,212 1,218 1,221 2,224 1,225 1,226 3,231 3,233 2,239 2,243 2,245 2,248 2,249 3,262 2,263 3,264 1,267 1,273 576,274 14.704,275 14.704,276 14.704,277 14.704,278 14.704,279 12.784,280 14.32,281 8.305,282 15.358,283 11.693,284 11.693,285 11.693,286 11.693,287 11.693,288 8.634,289 16.021,290 3.767,291 12.613,292 3.38,293 1.295,294 0.931,295 0.82,296 0.82,297 0.82,298 3.821,301 1,302 1,303 372,304 2.55,306 42.32,307 124.188,310 83.707,314 1.231,315 28.567,318 0.75,319 0.67,320 0.83,321 0.5,323 0.67,324 0.5,325 0.56,326 50,327 177,328 4.616,329 3.332,330 6.591,331 4.127,332 3.18,333 4.568,334 0.86,335 10.536,336 3.014,337 4.396,338 3.149,339 6.438,340 3.952,341 3.006,342 4.104,343 0.86,344 9.885,345 2.836,346 3.886,347 2.624,348 5.967,349 3.485,350 2.541,351 3.35,353 8.346,354 2.395,355 3.479,356 2.555,357 5.19,358 3.013,359 2.093,360 2.846,362 6.118,363 1.92,364 3.361,365 2.201,366 5.063,367 2.972,368 2.061,369 2.719,371 5.94,372 1.867,373 3.355,374 2.009,375 5.016,376 2.862,377 1.937,378 2.604,380 5.777,381 1.788,382 2.719,383 1.662,384 4.332,385 2.194,386 1.256,387 1.819,389 3.772,390 1.174,391 2.188,392 1.275,393 3.652,394 1.701,395 0.864,396 1.064,398 2.145,399 0.719,400 1.936,401 0.916,402 3.425,403 1.651,404 0.756,405 0.901,407 1.619,408 0.676,409 1.576,410 0.834,411 2.859,412 1.27,413 0.396,414 0.452,415 0.603,416 0.342,417 1.16,418 0.426,419 2.724,420 0.782,421 -0.108,422 -0.126,423 -0.191,424 -0.095,425 1.03,426 -0.201,427 2.548,428 0.596,429 -0.307,430 -0.407,431 -0.812,432 -0.277,433 0.752,434 -0.339,435 2.36,436 0.355,437 -0.55,438 -0.657,439 -1.322,440 -0.498,441 0.65,442 -0.341,443 2.294,444 0.24,445 -0.694,446 -0.878,448 -1.641,449 -0.637,450 0.222,451 -0.817,452 1.872,453 -0.11,454 -1.039,455 -1.242,457 -3.077,458 -0.963,459 9.9,460 0.45,461 0.644,462 0.029,463 32.25,464 1.466,465 16.5,466 0.75,467 15.75,468 0.716,469 13.87,470 0.63,471 24.3,472 0.675,473 23.778,474 1.081,475 6.637,476 0.302,477 3.892,478 0.177,479 0.215,481 0.455,485 1.14,486 1.421,487 0.767,488 1.059,489 1.232,490 0.826,491 1.064,492 0.881,493 0.632,494 0.766,495 0.695,496 0.631,497 0.948,498 1.262,499 0.857,500 1.087,501 0.832,502 0.956,503 0.953,504 1.214,505 1.038,506 1.322,507 0.979,508 1.234,509 1.098,510 0.874,511 1.171,512 0.971,513 1.348,514 1.078,515 1.108,516 1.088,517 0.985,518 1.027,519 0.713,520 1.001,521 1.015,522 0.977,523 1.174,524 0.994,525 1.096,526 1.068,527 0.462,528 1.002,529 0.684,530 1.099,531 0.529,532 0.992,533 5.5,535 2.889,536 2.069,537 1.859,538 0.768,539 0.451,540 0.412,541 0.278,542 0.15,543 4393,544 15086,545 2.017,546 38.9,548 8,551 6,555 1.649,556 1.833,557 3.029,558 3.786,560 1,562 1,564 64.444,565 1.79,566 3.875,567 4.239,568 4.35,569 4.35,570 4.35,571 2.447,572 3.732,573 4.433,574 3.156,575 729.025,576 7.634,577 7824.39,578 1,579 1,582 186.117,583 1.544,584 4.36,585 0.229,587 0.083,588 0.056,589 0.056,590 0.03,591 0.019,592 0.021,593 0.016,594 0.012,595 0.522,596 0.33,597 1,598 1.003,599 99.362,600 -0.271,601 -0.177,602 -0.014,603 -0.002,604 -0.346,605 0.071,606 -0.047,607 0.227,608 0.24,609 0.267,610 0.068,611 0.304,612 0.04,613 -0.075,614 -0.05,615 -0.082,616 0.076,617 -0.081,618 -0.003,619 -0.111,620 -0.182,621 -0.301,622 -0.031,623 -0.303,624 -0.079,625 0.072,626 -0.183,627 -0.003,628 -0.217,629 -0.106,630 -0.085,631 -0.192,632 0.028,633 -0.02,634 0.045,635 0.017,636 -0.149,637 0.032,638 -0.216,639 -0.079,640 -0.203,641 -0.128,642 0.412,643 -0.188,644 0.4,645 -0.101,646 0.357,647 0.097,648 1.756,649 3.941,650 0.682,651 15.38,652 1.031,653 1.147,654 1.055,655 1.112,656 0.651,657 3.219,658 3.584,659 3.892,660 4.174,661 4.394,662 4.522,663 4.595,664 4.745,665 4.787,666 4.745,667 5.045,668 0.649,669 302.33,670 3.219,671 4.779,672 5.652,673 6.555,674 7.447,675 8.354,676 9.252,677 10.16,678 11.061,679 11.97,680 16.7,684 2,688 1,690 3,694 2,695 2,696 3,697 1,700 7,702 16,711 2,715 1,716 2,718 36,719 16,720 1,721 24,723 38,724 13,725 11,726 4,727 2,729 3,730 4,741 11,742 2,753 1,754 1,757 14,758 8,759 6,760 9,763 1,764 6,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,806 2,810 22,811 2,815 1,818 2,829 8.3,831 1,834 2,836 12,837 6.967,838 4.889,839 1.704,840 3.186,841 1.456,842 0.973,843 3.677,844 10.173,845 3.497,846 4.201,847 4.87,848 5.521,849 6.091,850 6.516,851 6.934,852 7.423,853 7.752,854 8.057,855 1,856 37,857 8.03,859 3.42,860 8.023,861 14.642,863 11.529,865 2.523,866 55.5,870 94.169,871 64.805,872 132.936,874 64.683,877 64.805,878 158.852,879 132.936,880 21.766,882 84.747,883 97.083,884 54.602,885 4.227,886 94.169,888 94.169,889 197.742,890 64.683,893 94.169,894 64.683,897 24.872,898 122.513,899 50.357,901 94.169,902 197.62,903 64.805,906 94.169,907 24.087,908 40.719,909 16.786,910 180.834,911 94.169,912 197.62,913 64.805,915 0.589,916 0.364,917 0.199,918 0.106,919 18,920 9,921 0.079,922 3,923 1,924 1.133,925 3.276,926 178.235,927 0.133,928 15,929 90.107,933 14.681,934 5.51,935 2.522,936 0.834,937 180.834,938 3.227,939 12.255,940 3.001,943 1.764,945 125.263,946 356.594,947 32,956 37.127,957 41.279,958 0.346,959 0.749,960 0.82,961 0.841,962 0.841,963 0.841,964 4.745,965 0.864,966 5.673,967 3.772,968 4.263,969 4.887,970 1.376,971 6.535,972 4.123,973 6.004,974 0.756,975 7.272,976 2.145,977 4.007,978 4.913,980 7.503,981 3.823,982 7.352,983 0.396,984 8.963,985 1.619,986 5.916,987 7.23,988 1.159,989 10.606,990 5.667,991 8.737,992 -0.108,993 10.706,994 0.603,995 6.431,996 8.037,998 12.336,999 6.13,1000 10.149,1001 -0.307,1002 12.479,1003 -0.191,1004 7.85,1005 9.863,1006 0.963,1007 14.966,1008 7.5,1009 11.581,1010 -0.55,1011 14.274,1012 -0.812,1013 8.708,1014 11.032,1016 17.025,1017 8.301,1018 13.028,1019 -0.694,1020 16.084,1021 -1.322,1022 9.946,1023 12.665,1024 0.787,1025 19.478,1026 9.493,1027 3.18,1028 -1.039,1029 17.906,1030 -1.641,1031 10.958,1032 14.009,1034 21.685,1035 10.447,1036 3.006,1037 10.536,1038 19.736,1039 -3.077,1040 12.128,1041 15.562,1042 0.634,1043 24.066,1044 11.57,1045 2.541,1046 9.885,1047 21.574,1048 4.568,1049 13.209,1050 16.989,1052 26.342,1053 12.595,1054 2.093,1055 8.346,1056 23.418,1057 4.104,1058 14.355,1059 18.51,1060 0.504,1061 28.694,1062 13.692,1063 2.061,1064 6.118,1065 25.267,1066 3.35,1067 15.468,1068 19.977,1070 31.001,1071 14.748,1072 1.937,1073 5.94,1074 27.12,1075 2.846,1076 16.607,1077 21.486,1078 0.395,1079 33.343,1080 15.836,1081 1.256,1082 5.777,1083 28.976,1084 2.719,1085 17.734,1086 22.973,1088 35.666,1089 16.908,1090 4400,1091 8258,1092 15.433,1093 23.443,1094 36.357,1095 37.292,1096 38.847,1097 36.122,1098 36.18,1099 48.853,1100 3.44,1101 109.48,1102 33.464,1103 5.296,1104 5.332,1105 6.121,1106 5.201,1107 5.18,1108 7.568,1109 1.72,1110 17.485,1111 5.014,1112 12.92,1113 1.515,1114 1.554,1115 1.619,1116 1.505,1117 1.508,1118 2.036,1119 0.143,1120 4.562,1121 1.394,1122 4.108,1123 4.157,1124 4.091,1125 3.948,1126 6.469,1127 3.977,1128 3.865,1129 3.88,1130 3.836,1131 3.732,1132 5.346,1133 3.757,1134 3.391,1135 3.47,1136 3.336,1137 3.117,1138 4.991,1139 3.164,1140 3.303,1141 3.355,1142 3.144,1143 3.006,1144 4.899,1145 3.026,1146 3.145,1147 3.235,1148 2.976,1149 2.869,1150 4.75,1151 2.872,1152 3.088,1153 3.21,1154 2.927,1155 2.756,1156 4.58,1157 2.795,1158 2.862,1159 2.894,1160 2.744,1161 2.618,1162 4.214,1163 2.642,1164 2.704,1165 2.776,1166 2.498,1167 2.562,1168 4.005,1169 2.537,1170 0.192,1171 0.139,1172 0.275,1173 0.172,1174 0.132,1175 4.616,1176 0.19,1177 3.332,1178 0.036,1179 6.591,1180 0.439,1181 4.127,1182 0.126,1183 3.18,1184 4.568,1185 0.86,1186 10.536,1187 3.014,1188 1.886,1189 1.876,1190 1.952,1191 2.017,1192 1.082,1193 1.991,1194 1.781,1195 1.733,1196 1.818,1197 1.989,1198 0.819,1199 1.95,1200 1.327,1201 1.275,1202 1.59,1203 1.622,1204 0.584,1205 1.587,1206 1.227,1207 1.163,1208 1.562,1209 1.558,1210 0.572,1211 1.565,1212 1.104,1213 1.01,1214 1.365,1215 1.411,1216 0.347,1217 1.427,1218 0.998,1219 0.897,1220 1.266,1221 1.377,1222 0.09,1223 1.358,1224 0.822,1225 0.738,1226 1.073,1227 1.19,1229 1.163,1230 0.727,1231 0.661,1232 1.004,1233 0.984,1235 0.951,1236 3.892,1238 5.242,1239 2.398,1240 6.79,1241 4.727,1242 8.431,1243 6.862,1244 10.121,1246 2.891,1250 11.342,1251 9.941,1254 10.244,1262 23.38,1263 64.444,1264 139.488,1265 152.608,1266 156.608,1267 156.608,1268 156.608,1269 34.298,1270 6.987,1271 145.19,1272 145.19,1273 17,1274 12.488,1275 4.087,1276 3.17,1277 34.339,1278 67,1279 59,1280 0.263,1281 145.553,1282 237.57,1283 346.91,1284 8529,1286 15.853,1287 0.721,1288 0.542,1289 15.853,1290 11.915,1291 10.528,1292 0.439,1293 0.261,1294 6.092,1295 9.843,1296 5.937,1297 4.957,1298 10.528,1299 6.272,1300 9.637,1301 0.275,1302 0.128,1303 9.637,1304 4.479,1305 8.41,1306 0.175,1307 0.065,1308 8.41,1309 3.142,1310 7.127,1311 0.111,1312 0.033,1313 7.127,1314 2.106,1315 5.428,1316 0.068,1317 0.017,1318 5.428,1319 1.341,1320 0.398,1321 68.189,1322 0.255,1323 21.18,1324 0.763,1325 118,1326 417.513,1327 136.463,1328 396.643,1329 543.41,1330 370,1331 142,1332 408.516,1333 161.129,1334 412.465,1335 605.37,1336 384,1337 4.815}
{0 CHEMBL105323,1 1.732,2 7.952,3 1.085,4 1.178,5 78.786,6 8.181,7 0.696,8 3.71,9 3.837,10 3.341,11 3.122,12 4.964,13 3.17,14 4.168,15 4.332,16 3.703,17 3.463,18 5.419,19 3.503,20 4.236,21 4.39,22 3.721,23 3.543,24 5.476,25 3.57,26 4.313,27 4.493,28 3.679,29 3.563,30 5.539,31 3.545,32 4.395,33 4.632,34 3.525,35 3.498,36 5.499,37 3.449,38 4.241,39 4.444,40 3.383,41 3.355,42 5.325,43 3.332,44 4.135,45 4.375,46 3.222,47 3.24,48 5.243,49 3.188,50 4.089,51 4.359,52 3.094,53 3.057,54 5.178,55 2.975,56 0.136,57 0.565,58 6.455,59 2.344,60 12.397,61 3.032,62 0.396,63 0.814,64 12.475,65 4.22,66 28.982,67 5.303,68 0.353,69 0.902,70 12.17,71 3.953,72 25.222,73 5.132,74 0.392,75 0.917,76 13.652,77 4.936,78 28.401,79 6.771,80 0.556,81 0.848,82 18.03,83 5.01,84 42.398,85 7.511,86 0.422,87 0.726,88 14.942,89 4.322,90 28.528,91 5.877,92 0.38,93 0.67,94 13.4,95 3.433,96 28.634,97 5.353,98 0.398,99 0.539,100 14.553,101 4.048,102 33.767,103 6.458,104 21,105 33,106 0.315,107 0.677,108 0.745,109 0.78,110 0.78,111 0.78,112 3.104,113 0.799,114 -3.02,115 -3.02,116 -2.91,119 37.1,124 2,139 3,140 1,141 2,143 1,144 1,147 1,155 2,157 2,158 2,159 2,166 2,169 1,170 5,172 3,173 5,175 1,178 3,181 2,182 4,184 1,185 1,187 2,189 1,192 1,193 3,195 1,196 2,197 3,200 4,205 1,206 2,207 4,209 1,210 3,212 2,218 1,221 2,226 3,231 3,233 2,234 1,239 2,243 2,245 2,246 1,248 2,249 2,251 1,256 1,262 2,263 2,265 1,270 1,273 522,274 14.152,275 14.152,276 14.152,277 14.152,278 14.152,279 12.312,280 14.951,281 8.124,282 14.792,283 11.248,284 11.248,285 11.248,286 11.248,287 11.248,288 8.274,289 17.965,290 3.746,291 12.116,292 3.398,293 1.411,294 1.036,295 0.843,296 0.843,297 0.843,298 3.78,301 1,302 1,303 353,304 2.449,306 39.23,307 116.185,310 77.648,314 1.202,315 21.564,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47,327 167,328 4.609,329 3.199,330 6.578,331 4.108,332 3.162,333 4.565,334 0.86,335 10.493,336 2.991,337 4.24,338 3.03,339 6.122,340 3.81,341 2.849,342 3.903,343 0.86,344 9.043,345 2.734,346 3.767,347 2.563,348 5.484,349 3.339,350 2.409,351 3.22,353 7.254,354 2.238,355 3.454,356 2.555,357 5.05,358 2.997,359 2.075,360 2.808,362 5.907,363 1.907,364 3.355,365 2.193,366 5.01,367 2.972,368 2.061,369 2.668,371 5.818,372 1.867,373 3.334,374 1.995,375 4.969,376 2.843,377 1.917,378 2.604,380 5.737,381 1.771,382 2.639,383 1.299,384 4.198,385 2.11,386 1.171,387 1.704,389 3.482,390 1.096,391 2.185,392 0.997,393 3.649,394 1.663,395 0.758,396 1.057,398 2.13,399 0.686,400 1.592,401 0.916,402 2.842,403 1.323,404 0.472,405 0.517,407 0.677,408 0.399,409 1.576,410 0.818,411 2.8,412 1.27,413 0.396,414 0.452,415 0.602,416 0.342,417 1.124,418 -0.194,419 2.718,420 0.638,421 -0.273,422 -0.37,423 -0.758,424 -0.248,425 0.763,426 -0.339,427 2.546,428 0.355,429 -0.55,430 -0.656,431 -1.32,432 -0.498,433 0.747,434 -0.34,435 2.36,436 0.336,437 -0.635,438 -0.846,439 -1.599,440 -0.613,441 0.65,442 -0.433,443 1.801,444 0.24,445 -0.694,446 -0.878,448 -1.773,449 -0.637,450 0.178,451 -0.824,452 1.742,453 -0.218,454 -1.143,455 -1.359,457 -3.213,458 -1.042,459 9.567,460 0.456,461 0.571,462 0.027,463 31,464 1.476,465 16,466 0.762,467 15,468 0.714,469 12.769,470 0.608,471 22.833,472 0.652,473 21.707,474 1.034,475 6.366,476 0.303,477 3.735,478 0.178,479 0.188,481 0.418,485 1.103,486 1.429,487 0.757,488 1.086,489 1.276,490 0.857,491 1.136,492 0.85,493 0.675,494 0.745,495 0.697,496 0.653,497 1.222,498 1.225,499 0.992,500 1.047,501 1.042,502 0.977,503 0.642,504 1.211,505 0.955,506 1.329,507 0.686,508 1.235,509 0.834,510 0.85,511 0.983,512 0.929,513 0.912,514 0.977,515 1.486,516 1.157,517 1.155,518 1.09,519 1.079,520 1.075,521 0.923,522 0.981,523 1.153,524 1.019,525 1.067,526 1.092,527 0.512,528 0.977,529 0.739,530 1.068,531 0.59,532 0.985,533 5.5,535 2,536 1.757,537 1.668,538 0.657,539 0.402,540 0.316,541 0.219,542 0.105,543 3952,544 12539,545 2.045,546 40,548 9,551 5,555 1.635,556 1.881,557 3.021,558 2.892,560 1,562 1,564 60.606,565 1.732,566 3.718,567 4.093,568 4.286,569 4.286,570 4.286,571 2.439,572 3.726,573 4.365,574 3.131,575 657.418,576 7.496,577 6836.3,578 1,579 1,582 179.525,583 1.51,584 4.305,585 0.239,587 0.061,588 0.053,589 0.056,590 0.026,591 0.018,592 0.018,593 0.015,594 0.012,595 0.497,596 0.5,597 1,598 0.988,599 93.355,600 -0.223,601 -0.196,602 0.014,603 -0.048,604 -0.354,605 0.043,606 -0.008,607 0.234,608 0.224,609 0.268,610 0.185,611 0.275,612 -0.223,613 -0.06,614 -0.157,615 -0.062,616 -0.181,617 -0.093,618 0.185,619 -0.109,620 -0.095,621 -0.315,622 0.135,623 -0.283,624 0.11,625 0.094,626 0.01,627 0.037,628 0.048,629 0.009,630 -0.314,631 -0.226,632 -0.173,633 -0.091,634 -0.196,635 -0.105,636 -0.071,637 0.012,638 -0.189,639 -0.09,640 -0.153,641 -0.139,642 0.405,643 -0.174,644 0.339,645 -0.076,646 0.427,647 0.083,648 1.571,649 1.798,650 0.714,651 14.599,652 1.023,653 1.145,654 1.794,655 3.217,656 0.657,657 3.178,658 3.526,659 3.807,660 4.111,661 4.344,662 4.454,663 4.533,664 4.654,665 4.663,666 4.635,667 4.938,668 0.648,669 286.33,670 3.178,671 4.727,672 5.587,673 6.485,674 7.366,675 8.268,676 9.158,677 10.062,678 10.956,679 11.862,680 17.1,684 2,688 1,690 3,694 2,695 3,696 3,697 1,700 6,702 16,711 2,716 2,718 35,719 16,720 1,721 23,723 37,724 13,725 11,726 3,727 3,729 3,730 4,741 11,742 2,753 1,754 1,757 14,758 7,759 5,760 8,763 1,764 6,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,806 2,810 21,811 2,818 2,829 5.7,834 2,836 11.167,837 6.85,838 4.667,839 1.696,840 3.189,841 1.462,842 1.006,843 3.467,844 10.085,845 3.466,846 4.155,847 4.811,848 5.481,849 6.052,850 6.463,851 6.889,852 7.357,853 7.649,854 7.967,855 1,856 33,857 7.648,859 3.198,860 7.873,861 14.166,863 11.108,865 2.373,866 49.833,870 105.94,871 74.282,872 132.936,874 22,877 74.282,878 127.94,879 132.936,880 21.766,882 94.223,883 54.4,884 54.602,885 4.227,886 105.94,888 105.94,889 207.218,890 22,893 105.94,894 22,897 24.872,898 131.99,899 50.357,901 105.94,902 154.936,903 74.282,906 105.94,907 24.087,908 50.195,909 16.786,910 138.151,911 105.94,912 154.936,913 74.282,915 0.583,916 0.348,917 0.193,918 0.111,919 17,920 8,921 0.081,922 3,923 1,924 1.133,925 3.244,926 165.434,927 0.133,928 15,929 84.239,933 13.761,934 5.291,935 2.541,936 0.956,937 138.151,938 5.429,939 12.365,940 3.063,943 2.996,945 82.58,946 335.158,947 31,956 35.8,957 40.069,958 0.338,959 0.725,960 0.798,961 0.836,962 0.836,963 0.836,964 4.7,965 0.758,966 5.595,967 3.482,968 4.205,969 4.84,970 1.376,971 6.428,972 4.07,973 5.948,974 0.472,975 7.168,976 2.13,977 3.892,978 4.808,980 7.322,981 3.712,982 7.283,983 0.396,984 8.832,985 0.677,986 5.826,987 7.162,988 1.159,989 10.417,990 5.584,991 8.655,992 -0.273,993 10.546,994 0.602,995 6.275,996 7.915,998 12.092,999 5.984,1000 10.053,1001 -0.55,1002 12.293,1003 -0.758,1004 7.714,1005 9.771,1006 0.963,1007 14.714,1008 7.376,1009 11.472,1010 -0.635,1011 14.061,1012 -1.32,1013 8.52,1014 10.906,1016 16.746,1017 8.13,1018 12.907,1019 -0.694,1020 15.848,1021 -1.599,1022 9.765,1023 12.556,1024 0.787,1025 19.19,1026 9.332,1027 3.162,1028 -1.143,1029 17.647,1030 -1.773,1031 10.745,1032 13.884,1034 21.388,1035 10.257,1036 2.849,1037 10.493,1038 19.459,1039 -3.213,1040 11.915,1041 15.447,1042 0.634,1043 23.763,1044 11.382,1045 2.409,1046 9.043,1047 21.279,1048 4.565,1049 12.976,1050 16.869,1052 26.036,1053 12.387,1054 2.075,1055 7.254,1056 23.108,1057 3.903,1058 14.119,1059 18.397,1060 0.504,1061 28.386,1062 13.481,1063 2.061,1064 5.907,1065 24.944,1066 3.22,1067 15.219,1068 19.865,1070 30.695,1071 14.525,1072 1.917,1073 5.818,1074 26.786,1075 2.808,1076 16.355,1077 21.38,1078 0.395,1079 33.037,1080 15.609,1081 1.171,1082 5.737,1083 28.633,1084 2.668,1085 17.474,1086 22.87,1088 35.363,1089 16.671,1090 3942,1091 7135,1092 15.027,1093 22.989,1094 34.545,1095 35.444,1096 36.207,1097 34.434,1098 34.541,1099 46.994,1100 3.44,1101 102.284,1102 32.058,1103 5.289,1104 5.199,1105 6.131,1106 5.181,1107 5.162,1108 7.565,1109 1.72,1110 17.44,1111 4.991,1112 11.295,1113 1.502,1114 1.541,1115 1.574,1116 1.497,1117 1.502,1118 2.043,1119 0.15,1120 4.447,1121 1.394,1122 4.107,1123 4.157,1124 4.089,1125 3.949,1126 5.347,1127 3.976,1128 3.858,1129 3.88,1130 3.818,1131 3.734,1132 4.995,1133 3.754,1134 3.386,1135 3.469,1136 3.327,1137 3.116,1138 4.946,1139 3.159,1140 3.303,1141 3.355,1142 3.144,1143 3.006,1144 4.793,1145 3.026,1146 3.144,1147 3.235,1148 2.975,1149 2.869,1150 4.58,1151 2.872,1152 3.088,1153 3.21,1154 2.927,1155 2.756,1156 4.217,1157 2.794,1158 2.756,1159 2.828,1160 2.609,1161 2.603,1162 4.032,1163 2.6,1164 2.704,1165 2.776,1166 2.498,1167 2.562,1168 3.805,1169 2.537,1170 0.2,1171 0.139,1172 0.286,1173 0.179,1174 0.137,1175 4.609,1176 0.198,1177 3.199,1178 0.037,1179 6.578,1180 0.456,1181 4.108,1182 0.13,1183 3.162,1184 4.565,1185 0.86,1186 10.493,1187 2.991,1188 1.894,1189 1.878,1190 1.976,1191 2.017,1192 1.092,1193 1.998,1194 1.781,1195 1.733,1196 1.819,1197 1.989,1198 0.819,1199 1.951,1200 1.332,1201 1.274,1202 1.59,1203 1.619,1204 0.584,1205 1.588,1206 1.227,1207 1.163,1208 1.563,1209 1.558,1210 0.573,1211 1.565,1212 1.105,1213 1.009,1214 1.383,1215 1.408,1216 0.389,1217 1.427,1218 0.998,1219 0.897,1220 1.267,1221 1.375,1222 0.09,1223 1.358,1224 0.822,1225 0.724,1226 1.092,1227 1.174,1228 0.004,1229 1.158,1230 0.727,1231 0.661,1232 1.004,1233 0.918,1235 0.951,1236 3.85,1238 5.187,1239 2.398,1240 6.718,1241 4.727,1242 8.34,1243 6.862,1244 10.011,1246 3.169,1250 11.372,1254 10.483,1262 22.665,1263 60.606,1264 130.141,1265 143.26,1266 150.015,1267 150.015,1268 150.015,1269 25.669,1270 6.896,1271 124.96,1272 124.96,1273 17,1274 12.382,1275 4.087,1276 3.17,1277 32.058,1278 62,1279 55,1280 0.263,1281 141.557,1282 228.78,1283 337.159,1284 7718,1286 14.983,1287 0.713,1288 0.55,1289 14.983,1290 11.545,1291 10.101,1292 0.439,1293 0.266,1294 5.961,1295 9.47,1296 5.794,1297 4.85,1298 10.101,1299 6.126,1300 9.225,1301 0.28,1302 0.132,1303 9.225,1304 4.351,1305 7.756,1306 0.176,1307 0.068,1308 7.756,1309 3.014,1310 6.645,1311 0.111,1312 0.034,1313 6.645,1314 2.02,1315 5.335,1316 0.07,1317 0.017,1318 5.335,1319 1.327,1320 0.398,1321 65.046,1322 0.258,1323 20.384,1324 0.763,1325 112,1326 377.364,1327 128.359,1328 360.53,1329 498.5,1330 338,1331 133,1332 377.485,1333 148.918,1334 382.495,1335 558.03,1336 356,1337 4.49}
{0 CHEMBL105523,1 1.758,2 8.565,3 1.069,4 1.143,5 85.249,6 8.112,7 0.64,8 3.815,9 3.937,10 3.436,11 3.193,12 5.068,13 3.249,14 4.287,15 4.452,16 3.794,17 3.527,18 5.512,19 3.581,20 4.326,21 4.458,22 3.891,23 3.637,24 5.602,25 3.689,26 4.466,27 4.614,28 3.89,29 3.72,30 5.726,31 3.724,32 4.618,33 4.83,34 3.724,35 3.704,36 5.722,37 3.665,38 4.529,39 4.757,40 3.608,41 3.583,42 5.575,43 3.541,44 4.399,45 4.617,46 3.509,47 3.439,48 5.524,49 3.412,50 4.311,51 4.564,52 3.283,53 3.302,54 5.425,55 3.228,56 0.168,57 0.602,58 7.384,59 2.67,60 13.207,61 3.487,62 0.521,63 0.858,64 14.948,65 4.645,66 35.317,67 5.847,68 0.46,69 0.971,70 13.243,71 4.377,72 27.378,73 5.646,74 0.549,75 1.042,76 15.707,77 5.831,78 33.332,79 7.623,80 0.762,81 1.026,82 22.145,83 6.177,84 50.829,85 8.891,86 0.663,87 0.896,88 21.33,89 5.884,90 41.727,91 8.658,92 0.608,93 0.794,94 18.286,95 4.743,96 40.662,97 7.03,98 0.545,99 0.702,100 17.314,101 4.336,102 41.583,103 7.002,104 35,105 36,106 0.313,107 0.644,108 0.713,109 0.762,110 0.784,111 0.831,112 3.19,113 0.799,114 -2.55,115 -2.57,116 -2.51,119 35.9,124 3,139 2,140 1,141 3,143 1,144 1,147 1,155 2,157 2,158 2,159 2,166 1,169 1,170 5,172 3,173 5,175 1,178 1,181 3,182 5,184 1,185 1,187 1,189 1,192 2,193 3,195 1,196 3,197 3,198 1,200 4,205 1,206 2,207 2,209 1,210 2,212 1,218 1,220 2,221 2,224 1,226 2,231 2,233 2,234 1,236 1,237 1,239 2,243 2,245 2,248 2,249 2,251 1,256 1,259 1,262 2,263 2,273 682,274 15.574,275 15.574,276 15.574,277 15.574,278 15.574,279 13.706,280 17.87,281 8.845,282 16.373,283 12.14,284 12.14,285 12.14,286 12.14,287 12.14,288 9.067,289 21.254,290 3.931,291 13.171,292 3.527,293 1.671,294 1.283,295 1.007,296 0.885,297 0.622,298 3.865,301 1,302 1,303 414,304 2.739,306 44.333,307 131.325,310 87.845,314 1.236,315 25.788,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 52,327 197,328 4.63,329 3.335,330 6.664,331 4.156,332 3.206,333 4.574,334 0.86,335 10.798,336 3.047,337 4.389,338 3.134,339 6.426,340 3.937,341 2.989,342 4.102,343 0.86,344 9.931,345 2.828,346 3.899,347 2.86,348 6.015,349 3.507,350 2.574,351 3.348,352 0.86,353 8.518,354 2.392,355 3.562,356 2.403,357 5.242,358 3.094,359 2.186,360 2.95,362 6.363,363 1.98,364 3.405,365 2.212,366 5.031,367 2.936,368 2.016,369 2.764,371 5.854,372 1.849,373 3.2,374 2.117,375 4.949,376 2.765,377 1.838,378 2.441,380 5.478,381 1.698,382 2.817,383 1.882,384 4.459,385 2.385,386 1.491,387 1.929,389 4.187,390 1.327,391 2.203,392 1.23,393 3.686,394 1.775,395 0.894,396 1.104,398 2.211,399 0.782,400 2.07,401 0.98,402 3.617,403 1.645,404 0.743,405 0.983,407 1.882,408 0.669,409 1.592,410 0.912,411 2.8,412 1.32,413 0.466,414 0.513,415 0.674,416 0.395,417 1.425,418 0.82,419 2.741,420 1.154,421 0.304,422 0.333,423 0.404,424 0.257,425 1.119,426 0.147,427 2.647,428 0.65,429 -0.255,430 -0.33,431 -0.552,432 -0.23,433 0.836,434 -0.205,435 2.415,436 0.485,437 -0.415,438 -0.5,439 -0.875,440 -0.368,441 0.752,442 -0.341,443 2.36,444 0.355,445 -0.55,446 -0.658,448 -1.323,449 -0.498,450 0.627,451 -0.458,452 2.329,453 0.198,454 -0.758,455 -0.989,457 -2.058,458 -0.714,459 10.4,460 0.452,461 0.606,462 0.026,463 33,464 1.435,465 16.5,466 0.717,467 16.5,468 0.717,469 15.411,470 0.67,471 25.6,472 0.656,473 24.741,474 1.076,475 6.881,476 0.299,477 4.185,478 0.182,479 0.221,481 0.433,485 1.082,486 1.508,487 0.757,488 1.194,489 1.229,490 0.915,491 1.27,492 0.794,493 0.683,494 0.653,495 0.833,496 0.565,497 1.095,498 1.258,499 0.862,500 1.056,501 0.932,502 0.913,503 0.797,504 1.251,505 0.981,506 1.362,507 0.724,508 1.257,509 1.068,510 0.997,511 1.145,512 1.07,513 1.086,514 1.118,515 1.035,516 0.967,517 0.99,518 0.993,519 0.824,520 0.992,521 1.152,522 1.075,523 1.08,524 1.041,525 1.004,526 1.05,527 0.776,528 1.005,529 1.055,530 1.074,531 0.899,532 1.119,533 5.5,534 0.037,535 2.889,536 2.069,537 1.899,538 1.021,539 0.518,540 0.422,541 0.284,542 0.125,543 4858,544 15809,545 2.016,546 41,548 11,551 5,555 1.663,556 1.84,557 3.091,558 2.803,559 1,560 1,562 1,564 68.563,565 1.758,566 3.615,567 4.002,568 4.278,569 4.4,570 4.663,571 2.488,572 4.089,573 4.496,574 3.195,575 808.253,576 7.77,577 8904,578 1,579 1,582 206.131,583 1.538,584 4.428,585 0.22,586 0.007,587 0.08,588 0.053,589 0.051,590 0.034,591 0.019,592 0.018,593 0.016,594 0.011,595 0.51,596 0.17,597 1,598 1.059,599 105.39,600 -0.204,601 -0.248,602 0.025,603 -0.115,604 -0.315,605 0.013,606 -0.099,607 0.272,608 0.248,609 0.362,610 0.098,611 0.37,612 -0.082,613 -0.037,614 -0.038,615 -0.029,616 -0.058,617 -0.017,618 0.146,619 -0.095,620 -0.137,621 -0.307,622 0.12,623 -0.311,624 -0.059,625 -0.018,626 -0.179,627 -0.089,628 -0.142,629 -0.15,630 -0.031,631 -0.056,632 0.014,634 0.02,635 0.014,636 -0.083,637 -0.139,638 -0.083,639 -0.079,640 -0.034,641 -0.084,642 0.101,643 -0.089,644 -0.045,645 -0.135,646 0.095,647 -0.127,648 1.593,649 1.904,650 0.652,651 16.911,652 1.026,653 1.146,654 1.318,655 1.737,656 0.646,657 3.258,658 3.611,659 3.932,660 4.234,661 4.466,662 4.615,663 4.691,664 4.787,665 4.836,666 4.82,667 5.136,668 0.639,669 316.36,670 3.258,671 4.812,672 5.687,673 6.592,674 7.487,675 8.398,676 9.3,677 10.212,678 11.117,679 12.031,680 15.4,684 2,688 1,690 3,694 2,695 2,696 3,697 1,700 7,702 16,711 2,716 3,718 39,719 16,720 1,721 25,723 41,724 14,725 11,726 4,727 2,729 3,730 4,741 11,742 3,753 1,754 1,757 16,758 8,759 5,760 9,763 1,764 6,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,806 3,810 23,811 2,818 3,829 7.7,834 3,836 12.5,837 7.933,838 5.222,839 1.863,840 3.222,841 1.456,842 0.984,843 4.147,844 10.293,845 3.526,846 4.216,847 4.893,848 5.553,849 6.13,850 6.567,851 6.984,852 7.439,853 7.773,854 8.096,855 0.833,856 39,857 8.384,859 3.486,860 7.891,861 15.475,863 12.005,865 2.391,866 55,870 129.482,871 80.932,872 132.936,874 33,877 80.932,878 162.482,879 132.936,880 32.649,882 84.747,883 54.4,884 70.845,885 4.227,886 129.482,888 129.482,889 213.868,890 33,893 129.482,894 33,897 24.872,898 138.64,899 50.357,901 129.482,902 165.936,903 80.932,906 129.482,907 29.33,908 51.602,909 16.786,910 149.151,911 129.482,912 165.936,913 80.932,915 0.58,916 0.364,917 0.207,918 0.113,919 18,920 9,921 0.098,922 4,923 1,924 1.133,925 3.344,926 190.048,927 0.133,928 15,929 104.042,933 15.641,934 6.098,935 2.73,936 0.882,937 149.151,938 3.465,939 12.41,940 3.058,943 3.098,945 82.58,946 376.35,947 33,956 40.011,957 44.694,958 0.333,959 0.684,960 0.757,961 0.809,962 0.832,963 0.882,964 4.771,965 0.894,966 5.7,967 4.187,968 4.29,969 4.902,970 1.693,971 6.567,972 4.144,973 6.021,974 0.743,975 7.298,976 2.211,977 4.007,978 4.913,980 7.554,981 3.823,982 7.366,983 0.466,984 8.99,985 1.882,986 5.943,987 7.24,988 1.454,989 10.661,990 5.686,991 8.75,992 0.304,993 10.734,994 0.674,995 6.447,996 8.044,998 12.427,999 6.148,1000 10.163,1001 -0.255,1002 12.511,1003 0.404,1004 7.879,1005 9.873,1006 1.232,1007 15.058,1008 7.526,1009 11.596,1010 -0.415,1011 14.311,1012 -0.552,1013 8.735,1014 11.042,1016 17.153,1017 8.335,1018 13.044,1019 -0.55,1020 16.126,1021 -0.875,1022 9.98,1023 12.675,1024 1.028,1025 19.612,1026 9.533,1027 3.206,1028 -0.758,1029 17.953,1030 -1.323,1031 10.995,1032 14.02,1034 21.851,1035 10.497,1036 2.989,1037 10.798,1038 19.791,1039 -2.058,1040 12.17,1041 15.573,1042 0.845,1043 24.245,1044 11.627,1045 2.574,1046 9.931,1047 21.635,1048 4.574,1049 13.256,1050 17.002,1052 26.548,1053 12.662,1054 2.186,1055 8.518,1056 23.486,1057 4.102,1058 14.408,1059 18.523,1060 0.684,1061 28.918,1062 13.767,1063 2.016,1064 6.363,1065 25.342,1066 3.348,1067 15.526,1068 19.992,1070 31.251,1071 14.834,1072 1.838,1073 5.854,1074 27.202,1075 2.95,1076 16.671,1077 21.502,1078 0.546,1079 33.613,1080 15.931,1081 1.491,1082 5.478,1083 29.066,1084 2.764,1085 17.804,1086 22.991,1088 35.961,1089 17.013,1090 4882,1091 8925,1092 16.126,1093 25.205,1094 37.346,1095 38.524,1096 40.335,1097 37.284,1098 37.415,1099 50.082,1100 5.16,1101 112.599,1102 34.447,1103 5.323,1104 5.335,1105 6.211,1106 5.23,1107 5.206,1108 7.574,1109 1.72,1110 17.853,1111 5.047,1112 13.377,1113 1.494,1114 1.541,1115 1.613,1116 1.491,1117 1.497,1118 2.003,1119 0.206,1120 4.504,1121 1.378,1122 4.11,1123 4.158,1124 4.093,1125 3.95,1126 5.347,1127 3.979,1128 3.87,1129 3.885,1130 3.839,1131 3.735,1132 5.002,1133 3.76,1134 3.402,1135 3.475,1136 3.341,1137 3.131,1138 4.97,1139 3.175,1140 3.307,1141 3.364,1142 3.167,1143 3.006,1144 4.806,1145 3.032,1146 3.237,1147 3.308,1148 3.039,1149 2.927,1150 4.606,1151 2.939,1152 3.11,1153 3.218,1154 2.97,1155 2.844,1156 4.491,1157 2.837,1158 3.084,1159 3.195,1160 2.865,1161 2.754,1162 4.161,1163 2.792,1164 2.763,1165 2.837,1166 2.593,1167 2.619,1168 3.961,1169 2.604,1170 0.185,1171 0.133,1172 0.267,1173 0.166,1174 0.128,1175 4.63,1176 0.183,1177 3.335,1178 0.034,1179 6.664,1180 0.432,1181 4.156,1182 0.122,1183 3.206,1184 4.574,1185 0.86,1186 10.798,1187 3.047,1188 1.889,1189 1.879,1190 1.954,1191 2.02,1192 1.094,1193 1.995,1194 1.781,1195 1.733,1196 1.819,1197 1.992,1198 0.819,1199 1.951,1200 1.341,1201 1.29,1202 1.598,1203 1.634,1204 0.594,1205 1.607,1206 1.224,1207 1.159,1208 1.576,1209 1.555,1210 0.575,1211 1.555,1212 1.178,1213 1.095,1214 1.542,1215 1.516,1216 0.561,1217 1.53,1218 1.086,1219 0.987,1220 1.368,1221 1.386,1222 0.371,1223 1.404,1224 0.998,1225 0.896,1226 1.266,1227 1.365,1228 0.107,1229 1.357,1230 0.818,1231 0.726,1232 1.092,1233 1.168,1235 1.151,1236 3.932,1238 5.273,1239 2.398,1240 6.819,1241 4.727,1242 8.462,1243 6.862,1244 10.155,1246 4.66,1250 11.432,1254 15.993,1262 24.907,1263 68.563,1264 140.972,1265 156.092,1266 166.846,1267 171.601,1268 181.866,1269 32.223,1270 7.071,1271 134.19,1272 134.19,1273 17,1274 12.545,1275 4.087,1276 3.17,1277 36.62,1278 70,1279 67,1280 0.264,1281 155.146,1282 254.87,1283 370.316,1284 9434,1286 16.56,1287 0.72,1288 0.56,1289 16.56,1290 12.876,1291 11.066,1292 0.443,1293 0.266,1294 6.455,1295 10.291,1296 6.246,1297 5.243,1298 11.066,1299 6.661,1300 9.85,1301 0.274,1302 0.129,1303 9.85,1304 4.657,1305 8.627,1306 0.173,1307 0.067,1308 8.627,1309 3.349,1310 7.479,1311 0.11,1312 0.034,1313 7.479,1314 2.281,1315 5.847,1316 0.068,1317 0.017,1318 5.847,1319 1.464,1320 0.398,1321 71.955,1322 0.249,1323 21.985,1324 0.773,1325 122,1326 433.099,1327 141.237,1328 406.557,1329 560.07,1330 382,1331 147,1332 420.031,1333 166.683,1334 424.729,1335 622.59,1336 394,1337 5.153}
{0 CHEMBL105526,1 1.671,2 13.219,3 3.064,4 9.389,5 124.248,6 7.795,7 0.514,8 4.146,9 4.267,10 3.738,11 3.623,12 5.335,13 3.631,14 4.663,15 4.816,16 4.099,17 4.009,18 5.922,19 3.999,20 4.854,21 5.046,22 4.142,23 4.143,24 5.948,25 4.108,26 4.938,27 5.131,28 4.18,29 4.171,30 6.131,31 4.13,32 5.013,33 5.229,34 4.077,35 4.184,36 6.145,37 4.118,38 4.997,39 5.248,40 3.974,41 4.095,42 6.071,43 4.005,44 4.876,45 5.12,46 3.999,47 3.915,48 6.185,49 3.868,50 4.712,51 4.921,52 3.757,53 3.744,54 5.983,55 3.718,56 0.21,57 0.86,58 10.993,59 4.598,60 18.72,61 5.942,62 0.581,63 1.304,64 21.04,65 8.164,66 65.565,67 10.432,68 0.433,69 1.56,70 26.273,71 9.411,72 40.949,73 12.975,74 0.584,75 1.644,76 29.021,77 10.042,78 61.106,79 13.843,80 0.651,81 1.708,82 32.657,83 10.201,84 79.895,85 14.448,86 0.644,87 1.588,88 34.318,89 10.919,90 83.669,91 15.908,92 0.889,93 1.349,94 31.071,95 8.995,96 100.209,97 13.264,98 0.666,99 1.124,100 25.671,101 7.061,102 88.012,103 9.416,104 30,105 49,106 0.273,107 0.627,108 0.777,109 0.835,110 0.846,111 0.846,112 3.502,113 0.876,114 -4.43,115 -4.36,116 -4.11,119 39.3,120 1,121 1,125 3,128 1,139 7,140 4,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 11,169 3,170 6,172 3,173 3,175 3,178 11,180 1,182 11,185 1,187 5,189 7,191 1,193 15,195 1,196 3,197 1,198 8,200 2,201 4,204 5,205 1,207 10,212 6,215 7,218 4,220 2,221 5,223 1,224 1,226 2,229 8,231 2,233 4,234 9,236 2,237 6,238 1,239 2,240 1,241 8,243 1,246 7,248 1,249 1,251 1,254 6,260 6,262 2,263 2,264 1,265 1,267 1,268 4,270 1,273 1826,274 21.593,275 21.593,276 21.593,277 21.593,278 21.593,279 19.1,280 29.982,281 12.609,282 22.003,283 17.198,284 17.198,285 17.198,286 17.198,287 17.198,288 13.37,289 39.126,290 5.863,291 17.856,292 4.137,293 1.963,294 1.043,295 0.692,296 0.621,297 0.621,298 4.195,301 1,302 1,303 913,304 3.317,306 105.625,307 347.607,314 2.107,315 40.224,318 1,319 0.83,320 1,321 0.8,322 0.5,323 0.83,324 0.5,325 0.78,326 71,327 423,328 4.557,329 3.806,330 6.777,331 4.163,332 3.186,333 4.297,334 2.612,335 11.103,336 3.116,337 4.34,338 3.454,339 6.403,340 3.897,341 2.931,342 4.023,343 1.877,344 9.756,345 2.853,346 4.142,347 3.232,348 6.145,349 3.861,350 2.874,351 3.692,352 0.657,353 9.062,354 2.814,355 3.709,356 2.838,357 5.343,358 3.423,359 2.438,360 3.174,361 0.532,362 6.941,363 2.402,364 3.692,365 2.624,366 5.318,367 3.229,368 2.289,369 2.957,371 6.694,372 2.152,373 3.48,374 2.346,375 5.038,376 2.944,377 1.99,378 2.819,380 5.704,381 1.898,382 3.3,383 2.224,384 4.899,385 2.924,386 1.968,387 2.548,389 5.297,390 1.874,391 3.117,392 2.161,393 4.77,394 2.744,395 1.794,396 2.329,398 4.999,399 1.695,400 2.964,401 1.874,402 4.459,403 2.68,404 1.725,405 2.024,407 4.532,408 1.639,409 2.61,410 1.478,411 3.629,412 2,413 1,414 1.597,415 2.425,416 1,417 2.5,418 1.423,419 3.414,420 2,421 1,422 1.5,423 2.275,424 1,425 2.075,426 1.303,427 3.398,428 1.926,429 0.963,430 1.04,431 2.2,432 0.922,433 1.89,434 1,435 3.308,436 1.687,437 0.725,438 0.82,439 1.718,440 0.696,441 1.682,442 1,443 3.148,444 1.488,445 0.618,446 0.618,448 1.372,449 0.525,450 1.618,451 0.963,452 3,453 1.477,454 0.51,455 0.579,457 0.971,458 0.498,459 14.733,460 0.46,461 0.801,462 0.025,463 43.75,464 1.367,465 22.5,466 0.703,467 21.25,468 0.664,469 25.034,470 0.782,471 35.067,472 0.626,473 36.31,474 1.135,475 8.696,476 0.272,477 6.761,478 0.211,479 0.133,481 0.367,485 0.73,486 1.209,487 0.759,488 1.025,489 0.724,490 0.908,491 0.836,492 0.99,493 0.817,494 0.973,495 0.463,496 0.915,497 0.849,498 1.17,499 0.9,500 1.069,501 0.594,502 1.001,503 0.892,504 1.212,505 0.987,506 1.161,507 0.797,508 1.107,509 1.082,510 1.12,511 1.178,512 1.1,513 1.146,514 1.136,515 0.807,516 1,517 0.951,518 1.042,519 1.142,520 1.029,521 0.739,522 0.832,523 0.797,524 0.88,525 0.825,526 0.861,527 1.672,528 1.015,529 1.246,530 1,531 2.192,532 1.028,533 6.5,534 0.153,535 3.778,536 2.34,537 1.85,538 1.347,539 0.957,540 0.473,541 0.375,542 0.252,543 14980,544 43967,545 2.063,546 42.9,547 3,548 13,549 1,551 5,552 2,555 1.743,556 1.92,557 3.638,558 2.407,560 1,564 93.556,565 1.671,566 3.844,567 4.764,568 5.115,569 5.187,570 5.187,571 3.118,572 4.164,573 4.969,574 3.858,575 1913.75,576 8.681,577 28483,579 1,582 325.212,583 1.448,584 4.925,585 0.186,586 0.005,587 0.077,588 0.046,589 0.036,590 0.03,591 0.024,592 0.012,593 0.012,594 0.009,595 0.437,597 0.88,598 0.825,599 169.67,600 0.035,601 0.04,602 0.037,603 0.053,604 -0.096,605 0.051,606 0.141,607 0.112,608 0.071,609 0.086,610 0.215,611 0.06,612 -0.079,613 -0.088,614 -0.004,615 -0.036,616 0.001,617 -0.006,618 -0.021,619 -0.148,620 -0.069,621 -0.148,622 0.037,623 -0.129,624 -0.21,625 -0.079,626 -0.234,627 -0.122,628 -0.174,629 -0.165,630 -0.009,631 -0.051,632 0.035,633 -0.054,634 -0.106,635 -0.01,636 0.29,637 0.108,638 0.233,639 0.061,640 0.325,641 0.115,642 -0.325,643 -0.064,644 -0.211,645 -0.067,646 -0.293,647 -0.105,648 2.427,649 4.757,650 0.719,651 35.012,652 1.016,653 1.135,654 3.202,655 10.253,656 0.655,657 3.584,658 3.912,659 4.19,660 4.454,661 4.625,662 4.71,663 4.812,664 4.86,665 4.963,666 4.99,667 7.74,668 0.638,669 436.52,670 3.584,671 5.13,672 5.984,673 6.866,674 7.735,675 8.62,676 9.495,677 10.381,678 11.259,679 12.146,680 10.7,684 2,685 1,690 2,691 1,695 7,696 2,700 9,702 18,711 2,712 1,713 1,718 56,719 20,720 2,721 35,723 59,724 22,725 16,726 5,727 7,729 4,730 4,734 1,739 1,741 16,742 6,744 2,746 1,748 2,754 1,757 24,758 9,759 5,760 10,764 6,769 1,770 4,776 1,780 1,781 3,801 2,802 4,806 1,810 32,811 2,816 4,817 1,818 2,820 1,829 7.1,833 2,835 2,836 16.667,837 10.1,838 7.083,839 3.282,840 3.336,841 1.428,842 0.988,843 6.627,844 11.128,845 3.85,846 4.46,847 5.016,848 5.585,849 6.112,850 6.377,851 6.746,852 7.042,853 7.424,854 7.699,855 0.889,856 51,857 11.819,859 5.076,860 7.932,861 22.079,863 17.912,865 2.432,866 77.833,869 1,870 223.651,871 114.583,872 123.046,874 72.747,877 114.583,878 296.398,879 123.046,880 14.495,881 13.825,882 132.488,883 73.582,884 21.013,885 15.998,886 211.88,887 50.747,888 223.651,889 237.629,890 72.747,893 223.651,895 72.747,896 0.36,897 27.306,898 152.712,899 57.252,901 223.651,902 195.793,903 114.583,906 224.011,907 39.065,908 80.829,909 18.011,910 172.112,911 223.651,912 195.793,913 114.583,915 0.582,916 0.346,917 0.192,918 0.099,919 23,920 11,921 0.119,922 7,924 1,925 4.296,926 289.692,928 23,929 150,933 22.116,934 9.588,935 4.895,937 190.123,938 12.641,939 8.229,943 4.281,945 83.805,946 534.027,947 46,949 -0.427,951 23.514,956 56.872,957 63.564,958 0.288,959 0.662,960 0.82,961 0.881,962 0.893,963 0.893,964 5.091,965 1.794,966 5.974,967 5.297,968 4.595,969 5.147,970 2.988,971 6.792,972 4.528,973 6.302,974 1.725,975 7.54,976 4.999,977 4.205,978 5.027,979 2.611,980 7.724,981 4.124,982 7.617,983 1,984 9.205,985 4.532,986 6.196,987 7.352,988 4.399,989 10.819,990 6.077,991 8.968,992 1,993 10.929,994 2.425,995 6.621,996 8.021,997 4.679,998 12.588,999 6.492,1000 10.349,1001 0.963,1002 12.692,1003 2.275,1004 8.079,1005 9.842,1006 6.076,1007 15.203,1008 7.92,1009 11.751,1010 0.725,1011 14.482,1012 2.2,1013 8.876,1014 10.877,1015 6.652,1016 17.322,1017 8.703,1018 13.169,1019 0.618,1020 16.291,1021 1.718,1022 10.126,1023 12.492,1024 7.862,1025 19.776,1026 9.929,1027 3.186,1028 0.51,1029 18.116,1030 1.372,1031 11.099,1032 13.713,1033 8.599,1034 22.043,1035 10.884,1036 2.931,1037 11.103,1038 19.953,1039 0.971,1040 12.267,1041 15.233,1042 9.705,1043 24.443,1044 12.031,1045 2.874,1046 9.756,1047 21.8,1048 4.297,1049 13.322,1050 16.554,1051 10.535,1052 26.775,1053 13.065,1054 2.438,1055 9.062,1056 23.655,1057 4.023,1058 14.462,1059 18.028,1060 11.582,1061 29.16,1062 14.183,1063 2.289,1064 6.941,1065 25.517,1066 3.692,1067 15.556,1068 19.402,1069 12.466,1070 31.522,1071 15.256,1072 1.99,1073 6.694,1074 27.385,1075 3.174,1076 16.686,1077 20.856,1078 13.477,1079 33.906,1080 16.365,1081 1.968,1082 5.704,1083 29.257,1084 2.957,1085 17.8,1086 22.259,1087 14.393,1088 36.283,1089 17.456,1090 14232,1091 24553,1092 23.175,1093 36.705,1094 51.947,1095 54.242,1096 54.101,1097 52.127,1098 52.166,1099 68.202,1100 11.357,1101 150.405,1102 50.299,1103 5.453,1104 5.806,1105 6.374,1106 5.233,1107 5.186,1108 7.297,1109 4.612,1110 17.995,1111 5.116,1112 16.849,1113 1.484,1114 1.55,1115 1.546,1116 1.489,1117 1.49,1118 1.949,1119 0.324,1120 4.297,1121 1.437,1122 4.065,1123 4.096,1124 4.032,1125 3.96,1126 7.815,1127 3.969,1128 3.942,1129 3.966,1130 3.884,1131 3.866,1132 6.999,1133 3.865,1134 3.828,1135 3.874,1136 3.8,1137 3.64,1138 5.285,1139 3.666,1140 3.639,1141 3.667,1142 3.535,1143 3.395,1144 4.98,1145 3.422,1146 3.465,1147 3.498,1148 3.426,1149 3.198,1150 4.895,1151 3.191,1152 3.391,1153 3.48,1154 3.204,1155 3.087,1156 4.707,1157 3.124,1158 3.268,1159 3.346,1160 3.143,1161 3.029,1162 4.602,1163 3.089,1164 3.073,1165 3.19,1166 2.94,1167 2.83,1168 4.411,1169 2.846,1170 0.13,1171 0.109,1172 0.194,1173 0.119,1174 0.091,1175 4.557,1176 0.123,1177 3.806,1178 0.075,1179 6.777,1180 0.317,1181 4.163,1182 0.089,1183 3.186,1184 4.297,1185 2.612,1186 11.103,1187 3.116,1188 1.985,1189 1.96,1190 2.066,1191 2.124,1192 1.223,1193 2.097,1194 1.916,1195 1.893,1196 2.018,1197 2.008,1198 1.176,1199 2.013,1200 1.731,1201 1.686,1202 1.873,1203 1.951,1204 1.026,1205 1.91,1206 1.399,1207 1.34,1208 1.691,1209 1.658,1210 0.958,1211 1.669,1212 1.389,1213 1.309,1214 1.634,1215 1.658,1216 0.773,1217 1.659,1218 1.319,1219 1.27,1220 1.525,1221 1.631,1222 0.6,1223 1.572,1224 1.186,1225 1.152,1226 1.288,1227 1.54,1228 0.366,1229 1.511,1230 1.026,1231 0.967,1232 1.26,1233 1.372,1234 0.218,1235 1.351,1236 4.263,1238 5.587,1239 2.398,1240 7.104,1241 4.443,1242 8.713,1243 6.293,1244 10.372,1246 1.908,1250 11.741,1252 2.149,1253 3.144,1254 10.983,1256 -0.33,1262 35.729,1263 93.556,1264 215.28,1265 266.806,1266 286.457,1267 290.457,1268 290.457,1269 64.404,1270 7.792,1271 154.13,1272 154.13,1273 23,1274 12.679,1275 4.392,1276 3.585,1277 52.064,1278 148,1279 148,1280 0.169,1281 219.705,1282 381.78,1283 527.841,1284 27411,1286 22.665,1287 0.708,1288 0.549,1289 22.665,1290 17.577,1291 15.457,1292 0.442,1293 0.292,1294 10.041,1295 14.688,1296 9.855,1297 8.143,1298 15.457,1299 10.225,1300 13.943,1301 0.285,1302 0.149,1303 13.943,1304 7.3,1305 11.598,1306 0.178,1307 0.08,1308 11.598,1309 5.204,1310 9.968,1311 0.117,1312 0.043,1313 9.968,1314 3.645,1315 7.518,1316 0.074,1317 0.023,1318 7.518,1319 2.369,1320 0.27,1321 98.304,1322 0.208,1323 30.229,1324 0.45,1325 168,1326 548.835,1327 189.587,1328 522.405,1329 706.35,1330 486,1331 198,1332 522.47,1333 219.093,1334 520.883,1335 764.21,1336 489,1337 7.796}
{0 CHEMBL105759,1 1.758,2 8.565,3 1.069,4 1.143,5 85.249,6 8.112,7 0.64,8 3.815,9 3.937,10 3.436,11 3.193,12 5.069,13 3.249,14 4.287,15 4.452,16 3.794,17 3.527,18 5.505,19 3.581,20 4.328,21 4.458,22 3.923,23 3.637,24 5.62,25 3.694,26 4.475,27 4.614,28 3.94,29 3.723,30 5.757,31 3.745,32 4.648,33 4.838,34 3.726,35 3.732,36 5.767,37 3.703,38 4.58,39 4.818,40 3.552,41 3.641,42 5.59,43 3.56,44 4.456,45 4.73,46 3.461,47 3.443,48 5.483,49 3.376,50 4.232,51 4.485,52 3.264,53 3.214,54 5.37,55 3.163,56 0.168,57 0.602,58 7.384,59 2.67,60 13.207,61 3.487,62 0.521,63 0.858,64 14.948,65 4.645,66 35.273,67 5.847,68 0.507,69 0.971,70 13.247,71 4.382,72 28.106,73 5.735,74 0.56,75 1.043,76 15.75,77 5.779,78 33.559,79 7.407,80 0.825,81 1.048,82 22.478,83 6.179,84 54.362,85 8.259,86 0.665,87 0.949,88 22.439,89 6.5,90 42.428,91 9.687,92 0.561,93 0.806,94 21.095,95 5.37,96 42.46,97 8.84,98 0.531,99 0.648,100 16.162,101 3.772,102 40.7,103 6.188,104 35,105 36,106 0.313,107 0.644,108 0.722,109 0.771,110 0.793,111 0.858,112 3.19,113 0.8,114 -2.55,115 -2.57,116 -2.51,119 35.9,124 3,139 2,140 1,141 3,143 1,144 1,147 1,155 2,157 2,158 2,159 2,166 2,169 1,170 3,172 3,173 5,175 1,178 1,181 4,182 5,184 1,185 1,187 1,192 2,193 5,195 1,196 3,197 3,198 1,200 4,205 1,206 1,207 2,209 1,210 2,212 1,218 1,220 2,221 2,224 1,226 2,231 2,233 2,234 1,236 1,237 1,239 2,243 2,245 2,248 2,249 2,251 1,256 1,259 1,262 2,263 2,273 666,274 15.627,275 15.627,276 15.627,277 15.627,278 15.627,279 13.731,280 16.476,281 8.858,282 16.412,283 12.124,284 12.124,285 12.124,286 12.124,287 12.124,288 9.045,289 18.829,290 3.886,291 13.142,292 3.527,293 1.671,294 1.232,295 0.956,296 0.834,297 0.468,298 3.865,301 1,302 1,303 414,304 2.739,306 44.333,307 131.325,310 87.845,314 1.236,315 26,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 52,327 197,328 4.644,329 3.439,330 6.816,331 4.188,332 3.238,333 4.578,334 0.86,335 11.272,336 3.075,337 4.45,338 3.144,339 6.522,340 3.982,341 3.041,342 4.18,343 0.86,344 10.253,345 2.858,346 3.871,347 2.745,348 6.012,349 3.471,350 2.534,351 3.324,352 0.86,353 8.461,354 2.369,355 3.51,356 2.397,357 5.209,358 3.046,359 2.134,360 2.879,362 6.184,363 1.942,364 3.389,365 2.186,366 5.031,367 2.912,368 1.995,369 2.745,371 5.844,372 1.824,373 3.179,374 2.051,375 4.963,376 2.759,377 1.835,378 2.4,380 5.393,381 1.688,382 2.784,383 1.868,384 4.347,385 2.293,386 1.371,387 1.906,389 3.783,390 1.26,391 2.192,392 1.335,393 3.657,394 1.851,395 1.009,396 1.09,398 2.162,399 0.843,400 2.098,401 0.965,402 3.566,403 1.673,404 0.769,405 1.056,407 1.948,408 0.695,409 1.697,410 0.913,411 3.005,412 1.367,413 0.484,414 0.567,415 0.828,416 0.423,417 1.385,418 0.82,419 2.685,420 1.13,421 0.289,422 0.311,423 0.363,424 0.241,425 1.119,426 0.038,427 2.493,428 0.649,429 -0.258,430 -0.34,431 -0.63,432 -0.233,433 0.827,434 -0.064,435 2.394,436 0.457,437 -0.465,438 -0.575,439 -0.968,440 -0.424,441 0.752,442 -0.238,443 2.36,444 0.355,445 -0.551,446 -0.659,448 -1.085,449 -0.498,450 0.672,451 -0.343,452 2.197,453 0.302,454 -0.592,455 -0.678,457 -1.326,458 -0.515,459 10.4,460 0.452,461 0.589,462 0.026,463 33,464 1.435,465 16.5,466 0.717,467 16.5,468 0.717,469 15.51,470 0.674,471 25.6,472 0.656,473 24.814,474 1.079,475 6.896,476 0.3,477 4.187,478 0.182,479 0.221,481 0.433,485 1.082,486 1.508,487 0.757,488 1.194,489 1.226,490 0.915,491 1.27,492 0.794,493 0.683,494 0.653,495 0.861,496 0.565,497 0.929,498 1.258,499 0.774,500 1.055,501 0.833,502 0.885,503 0.895,504 1.251,505 0.946,506 1.349,507 0.695,508 1.205,509 1.524,510 0.986,511 1.385,512 1.062,513 1.367,514 1.184,515 0.893,516 1.01,517 1.06,518 1.097,519 0.812,520 1.13,521 0.642,522 0.973,523 0.762,524 0.939,525 0.657,526 0.884,527 0.836,528 0.946,529 1.002,530 0.948,531 0.93,532 0.994,533 5,534 0.037,535 3.111,536 2.319,537 1.899,538 0.966,539 0.477,540 0.422,541 0.284,542 0.125,543 4826,544 15681,545 2.016,546 41,548 11,551 5,555 1.663,556 1.84,557 3.082,558 2.803,559 1,560 1,562 1,564 68.563,565 1.758,566 3.615,567 4.054,568 4.329,569 4.451,570 4.817,571 2.488,572 4.263,573 4.496,574 3.187,575 806.409,576 7.769,577 8841.11,578 1,579 1,582 206.131,583 1.538,584 4.428,585 0.2,586 0.007,587 0.086,588 0.058,589 0.049,590 0.032,591 0.019,592 0.018,593 0.016,594 0.011,595 0.497,596 0.17,597 1,598 1.059,599 105.24,600 -0.204,601 -0.248,602 0.025,603 -0.115,604 -0.312,605 0.013,606 -0.099,607 0.272,608 0.248,609 0.362,610 0.069,611 0.37,612 0.087,613 -0.037,614 0.053,615 -0.028,616 0.044,617 0.011,618 0.126,619 -0.095,620 -0.097,621 -0.298,622 0.181,623 -0.273,624 -0.335,626 -0.421,627 -0.088,628 -0.362,629 -0.254,630 -0.002,631 -0.097,632 -0.07,633 -0.086,634 -0.023,635 -0.1,636 0.162,637 -0.114,638 0.278,639 0.026,640 0.222,641 0.163,642 0.095,643 -0.032,644 0.021,645 -0.035,646 0.119,647 -0.022,648 1.593,649 1.957,650 0.652,651 16.476,652 1.026,653 1.146,654 1.318,655 1.737,656 0.646,657 3.258,658 3.611,659 3.951,660 4.263,661 4.454,662 4.575,663 4.682,664 4.804,665 4.844,666 4.82,667 5.105,668 0.639,669 316.36,670 3.258,671 4.812,672 5.694,673 6.603,674 7.502,675 8.415,676 9.32,677 10.235,678 11.143,679 12.059,680 15.4,684 2,688 1,690 3,694 2,695 2,696 3,697 1,700 7,702 16,711 2,716 3,718 39,719 16,720 1,721 25,723 41,724 14,725 11,726 4,727 2,729 3,730 4,741 11,742 3,753 1,754 1,757 16,758 8,759 5,760 9,763 1,764 6,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,806 3,810 23,811 2,818 3,829 7.7,834 3,836 12.5,837 7.933,838 5.25,839 1.869,840 3.222,841 1.456,842 0.984,843 4.147,844 10.293,845 3.526,846 4.216,847 4.904,848 5.565,849 6.118,850 6.548,851 6.985,852 7.448,853 7.776,854 8.096,855 0.833,856 40,857 8.386,859 3.49,860 7.891,861 15.475,863 12.009,865 2.391,866 55,870 129.482,871 80.932,872 132.936,874 33,877 80.932,878 162.482,879 132.936,880 32.649,882 84.747,883 54.4,884 70.845,885 4.227,886 129.482,888 129.482,889 213.868,890 33,893 129.482,894 33,897 24.872,898 138.64,899 50.357,901 129.482,902 165.936,903 80.932,906 129.482,907 29.33,908 51.602,909 16.786,910 149.151,911 129.482,912 165.936,913 80.932,915 0.579,916 0.371,917 0.217,918 0.112,919 18,920 9,921 0.098,922 4,923 1,924 1.133,925 3.326,926 190.97,927 0.133,928 15,929 104.042,933 15.641,934 6.098,935 2.619,936 0.882,937 149.151,938 3.554,939 12.41,940 3.058,943 2.939,945 82.58,946 376.35,947 33,956 40.011,957 44.694,958 0.333,959 0.684,960 0.767,961 0.819,962 0.842,963 0.911,964 4.771,965 1.009,966 5.707,967 3.783,968 4.29,969 4.902,970 1.693,971 6.589,972 4.144,973 6.021,974 0.769,975 7.314,976 2.162,977 4.007,978 4.913,980 7.627,981 3.823,982 7.369,983 0.484,984 9.018,985 1.948,986 5.953,987 7.246,988 1.454,989 10.751,990 5.695,991 8.757,992 0.289,993 10.778,994 0.828,995 6.479,996 8.065,998 12.585,999 6.175,1000 10.176,1001 -0.258,1002 12.573,1003 0.363,1004 7.915,1005 9.894,1006 1.232,1007 15.238,1008 7.556,1009 11.616,1010 -0.465,1011 14.392,1012 -0.63,1013 8.796,1014 11.078,1016 17.396,1017 8.386,1018 13.073,1019 -0.551,1020 16.228,1021 -0.968,1022 10.047,1023 12.711,1024 1.028,1025 19.888,1026 9.588,1027 3.238,1028 -0.592,1029 18.077,1030 -1.085,1031 11.085,1032 14.067,1034 22.182,1035 10.571,1036 3.041,1037 11.272,1038 19.935,1039 -1.326,1040 12.269,1041 15.621,1042 0.845,1043 24.615,1044 11.708,1045 2.534,1046 10.253,1047 21.802,1048 4.578,1049 13.373,1050 17.055,1052 26.967,1053 12.757,1054 2.134,1055 8.461,1056 23.676,1057 4.18,1058 14.536,1059 18.578,1060 0.684,1061 29.38,1062 13.871,1063 1.995,1064 6.184,1065 25.554,1066 3.324,1067 15.669,1068 20.049,1070 31.76,1071 14.951,1072 1.835,1073 5.844,1074 27.437,1075 2.879,1076 16.826,1077 21.56,1078 0.546,1079 34.166,1080 16.057,1081 1.371,1082 5.393,1083 29.323,1084 2.745,1085 17.972,1086 23.05,1088 36.56,1089 17.151,1090 4851,1091 8862,1092 16.126,1093 25.205,1094 37.356,1095 38.483,1096 40.658,1097 37.28,1098 37.401,1099 50.069,1100 5.16,1101 112.985,1102 34.436,1103 5.334,1104 5.439,1105 6.364,1106 5.262,1107 5.238,1108 7.578,1109 1.72,1110 18.727,1111 5.075,1112 13.322,1113 1.494,1114 1.539,1115 1.626,1116 1.491,1117 1.496,1118 2.003,1119 0.206,1120 4.519,1121 1.377,1122 4.11,1123 4.158,1124 4.093,1125 3.95,1126 5.347,1127 3.979,1128 3.87,1129 3.886,1130 3.841,1131 3.735,1132 5.004,1133 3.76,1134 3.399,1135 3.475,1136 3.339,1137 3.129,1138 4.973,1139 3.173,1140 3.289,1141 3.347,1142 3.127,1143 2.995,1144 4.809,1145 3.012,1146 3.224,1147 3.299,1148 3.037,1149 2.924,1150 4.571,1151 2.94,1152 3.162,1153 3.247,1154 2.97,1155 2.885,1156 4.46,1157 2.882,1158 3.088,1159 3.212,1160 2.941,1161 2.754,1162 4.212,1163 2.795,1164 2.693,1165 2.767,1166 2.544,1167 2.542,1168 4.052,1169 2.53,1170 0.186,1171 0.138,1172 0.273,1173 0.168,1174 0.13,1175 4.644,1176 0.183,1177 3.439,1178 0.034,1179 6.816,1180 0.451,1181 4.188,1182 0.123,1183 3.238,1184 4.578,1185 0.86,1186 11.272,1187 3.075,1188 1.889,1189 1.879,1190 1.956,1191 2.02,1192 1.094,1193 1.995,1194 1.781,1195 1.733,1196 1.819,1197 1.992,1198 0.819,1199 1.951,1200 1.341,1201 1.289,1202 1.592,1203 1.633,1204 0.589,1205 1.603,1206 1.217,1207 1.15,1208 1.576,1209 1.547,1210 0.578,1211 1.555,1212 1.169,1213 1.083,1214 1.557,1215 1.506,1216 0.565,1217 1.523,1218 1.122,1219 1.032,1220 1.377,1221 1.413,1222 0.372,1223 1.431,1224 0.998,1225 0.896,1226 1.266,1227 1.376,1228 0.043,1229 1.358,1230 0.802,1231 0.696,1232 1.071,1233 1.169,1235 1.15,1236 3.932,1238 5.273,1239 2.398,1240 6.825,1241 4.727,1242 8.479,1243 6.862,1244 10.183,1246 4.625,1250 11.432,1254 16.099,1262 24.907,1263 68.563,1264 140.972,1265 158.092,1266 168.846,1267 173.601,1268 187.866,1269 32.889,1270 7.071,1271 134.19,1272 134.19,1273 17,1274 12.571,1275 4.087,1276 3.17,1277 36.632,1278 70,1279 67,1280 0.266,1281 155.146,1282 254.87,1283 370.316,1284 9434,1286 16.56,1287 0.72,1288 0.56,1289 16.56,1290 12.876,1291 11.083,1292 0.443,1293 0.267,1294 6.461,1295 10.316,1296 6.254,1297 5.253,1298 11.083,1299 6.667,1300 9.763,1301 0.271,1302 0.129,1303 9.763,1304 4.632,1305 8.645,1306 0.17,1307 0.066,1308 8.645,1309 3.348,1310 7.777,1311 0.111,1312 0.034,1313 7.777,1314 2.355,1315 5.875,1316 0.069,1317 0.017,1318 5.875,1319 1.483,1320 0.401,1321 72.056,1322 0.249,1323 21.952,1324 0.78,1325 122,1326 433.099,1327 141.237,1328 406.446,1329 560.71,1330 382,1331 148,1332 421.031,1333 168.457,1334 425.666,1335 626.46,1336 395,1337 5.431}
{0 CHEMBL106070,1 1.732,2 7.857,3 1.085,4 1.178,5 78.786,6 8.181,7 0.696,8 3.71,9 3.837,10 3.341,11 3.122,12 4.965,13 3.17,14 4.168,15 4.332,16 3.703,17 3.463,18 5.413,19 3.503,20 4.236,21 4.39,22 3.749,23 3.544,24 5.485,25 3.58,26 4.323,27 4.491,28 3.707,29 3.581,30 5.565,31 3.57,32 4.42,33 4.652,34 3.536,35 3.536,36 5.525,37 3.481,38 4.301,39 4.552,40 3.419,41 3.382,42 5.328,43 3.343,44 4.118,45 4.312,46 3.32,47 3.219,48 5.319,49 3.211,50 4.029,51 4.252,52 3.054,53 3.088,54 5.215,55 3.013,56 0.136,57 0.565,58 6.455,59 2.344,60 12.397,61 3.032,62 0.396,63 0.814,64 12.475,65 4.22,66 28.977,67 5.303,68 0.34,69 0.902,70 12.155,71 3.948,72 24.651,73 5.142,74 0.415,75 0.93,76 13.628,77 4.954,78 29.648,79 6.579,80 0.556,81 0.893,82 17.912,83 5.055,84 41.142,85 7.612,86 0.407,87 0.753,88 16.979,89 4.625,90 30.714,91 7.056,92 0.474,93 0.64,94 12.915,95 3.4,96 32.125,97 4.679,98 0.362,99 0.568,100 11.891,101 3.442,102 29.705,103 5.162,104 21,105 33,106 0.315,107 0.677,108 0.756,109 0.812,110 0.832,111 0.864,112 3.105,113 0.8,114 -3.02,115 -3.02,116 -2.91,119 37.1,124 2,139 3,140 1,141 2,143 1,144 1,147 1,155 2,157 2,158 2,159 2,166 2,169 1,170 5,172 3,173 5,175 1,178 2,181 2,182 5,184 1,185 1,187 1,189 2,192 1,193 2,195 1,196 3,197 3,198 1,200 4,205 1,206 2,207 3,209 1,210 2,212 2,218 1,220 1,221 2,226 2,231 2,233 2,234 2,236 1,237 1,239 2,243 2,245 1,246 1,248 2,249 2,251 2,256 2,262 1,263 1,265 1,270 1,273 528,274 14.204,275 14.204,276 14.204,277 14.204,278 14.204,279 12.336,280 14.951,281 8.13,282 14.838,283 11.225,284 11.225,285 11.225,286 11.225,287 11.225,288 8.25,289 16.802,290 3.705,291 12.088,292 3.398,293 1.411,294 0.979,295 0.672,296 0.557,297 0.386,298 3.78,301 1,302 1,303 349,304 2.449,306 38.013,307 114.849,310 75.503,314 1.129,315 21.782,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47,327 165,328 4.623,329 3.255,330 6.645,331 4.138,332 3.19,333 4.572,334 0.86,335 10.727,336 3.026,337 4.304,338 3.047,339 6.378,340 3.868,341 2.911,342 3.98,343 0.86,344 9.734,345 2.78,346 3.704,347 2.687,348 5.314,349 3.262,350 2.336,351 3.155,353 6.738,354 2.159,355 3.513,356 2.384,357 5.184,358 3.077,359 2.167,360 2.851,362 6.268,363 1.965,364 3.405,365 2.15,366 5.03,367 2.935,368 2.015,369 2.757,371 5.851,372 1.849,373 3.161,374 1.905,375 4.926,376 2.712,377 1.781,378 2.4,380 5.345,381 1.653,382 2.534,383 1.296,384 3.969,385 2.008,386 1.043,387 1.55,389 2.911,390 1.005,391 2.186,392 1.05,393 3.648,394 1.673,395 0.776,396 1.06,398 2.125,399 0.694,400 1.894,401 0.913,402 3.045,403 1.596,404 0.729,405 0.827,407 1.267,408 0.627,409 1.454,410 0.818,411 2.746,412 1.182,413 0.329,414 0.361,415 0.443,416 0.278,417 1.122,418 -0.011,419 2.647,420 0.643,421 -0.266,422 -0.355,423 -0.673,424 -0.241,425 0.798,426 -0.207,427 2.389,428 0.426,429 -0.491,430 -0.592,431 -0.947,432 -0.442,433 0.751,434 -0.341,435 2.36,436 0.355,437 -0.551,438 -0.659,439 -1.323,440 -0.498,441 0.616,442 -0.659,443 2.168,444 0.177,445 -0.793,446 -1.053,448 -2.38,449 -0.766,450 0.174,451 -0.878,452 1.651,453 -0.233,454 -1.163,455 -1.579,457 -3.44,458 -1.075,459 9.567,460 0.456,461 0.554,462 0.026,463 31,464 1.476,465 16,466 0.762,467 15,468 0.714,469 12.855,470 0.612,471 22.833,472 0.652,473 21.823,474 1.039,475 6.382,476 0.304,477 3.736,478 0.178,479 0.188,481 0.418,485 1.103,486 1.429,487 0.757,488 1.086,489 1.273,490 0.857,491 1.136,492 0.85,493 0.675,494 0.745,495 0.722,496 0.653,497 1.191,498 1.225,499 0.92,500 1.038,501 0.972,502 0.929,503 0.825,504 1.188,505 1.02,506 1.298,507 0.762,508 1.238,509 0.789,510 0.988,511 1.062,512 1.055,513 0.978,514 1.099,515 0.921,516 0.949,517 0.848,518 0.922,519 0.726,520 0.865,521 1.438,522 1.033,523 1.228,524 1.005,525 1.173,526 1.072,527 0.877,528 1.232,529 1.222,530 1.36,531 0.999,532 1.379,533 5,535 2.444,536 1.757,537 1.508,538 0.792,539 0.469,540 0.326,541 0.194,542 0.06,543 3864,544 12235,545 2.045,546 40,548 9,551 5,555 1.637,556 1.881,557 2.982,558 2.892,560 1,562 1,564 60.606,565 1.732,566 3.718,567 4.15,568 4.458,569 4.572,570 4.743,571 2.398,572 3.916,573 4.365,574 3.084,575 647.541,576 7.504,577 6708.84,578 1,579 1,582 179.525,583 1.51,584 4.305,585 0.217,587 0.074,588 0.052,589 0.049,590 0.032,591 0.02,592 0.016,593 0.014,594 0.01,595 0.484,596 0.5,597 1,598 0.988,599 92.926,600 -0.223,601 -0.196,602 0.014,603 -0.048,604 -0.351,605 0.043,606 -0.008,607 0.234,608 0.224,609 0.268,610 0.16,611 0.275,612 -0.192,613 -0.06,614 -0.083,615 -0.052,616 -0.109,617 -0.044,618 0.101,619 -0.076,620 -0.165,621 -0.286,622 0.087,623 -0.307,624 0.099,625 -0.015,626 -0.095,627 -0.089,628 -0.056,629 -0.12,630 -0.015,631 -0.051,632 0.171,633 0.059,634 0.089,635 0.157,636 -0.158,637 -0.06,638 -0.251,639 -0.064,640 -0.106,641 -0.166,642 0.083,643 -0.287,644 -0.249,645 -0.39,646 0.068,647 -0.404,648 1.576,649 1.842,650 0.714,651 14.163,652 1.023,653 1.145,654 1.794,655 3.217,656 0.657,657 3.178,658 3.526,659 3.829,660 4.127,661 4.357,662 4.489,663 4.564,664 4.654,665 4.635,666 4.585,667 4.817,668 0.648,669 286.33,670 3.178,671 4.727,672 5.595,673 6.494,674 7.382,675 8.288,676 9.184,677 10.092,678 10.992,679 11.901,680 17.1,684 2,688 1,690 3,694 2,695 3,696 3,697 1,700 6,702 16,711 2,716 2,718 35,719 16,720 1,721 23,723 37,724 13,725 11,726 3,727 3,729 3,730 4,741 11,742 2,753 1,754 1,757 14,758 7,759 5,760 8,763 1,764 6,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,806 2,810 21,811 2,818 2,829 5.7,834 2,836 11.167,837 6.85,838 4.694,839 1.703,840 3.235,841 1.469,842 1.006,843 3.467,844 10.13,845 3.466,846 4.155,847 4.823,848 5.487,849 6.063,850 6.48,851 6.903,852 7.352,853 7.625,854 7.93,855 1,856 34,857 7.65,859 3.202,860 7.873,861 14.166,863 11.113,865 2.373,866 49.833,870 105.94,871 74.282,872 132.936,874 22,877 74.282,878 127.94,879 132.936,880 21.766,882 94.223,883 54.4,884 54.602,885 4.227,886 105.94,888 105.94,889 207.218,890 22,893 105.94,894 22,897 24.872,898 131.99,899 50.357,901 105.94,902 154.936,903 74.282,906 105.94,907 24.087,908 50.195,909 16.786,910 138.151,911 105.94,912 154.936,913 74.282,915 0.582,916 0.355,917 0.197,918 0.11,919 17,920 8,921 0.081,922 3,923 1,924 1.133,925 3.222,926 166.72,927 0.133,928 15,929 92.239,933 13.761,934 5.291,935 2.423,936 0.934,937 138.151,938 5.408,939 12.379,940 3.062,943 2.925,945 82.58,946 335.158,947 31,956 35.8,957 40.069,958 0.338,959 0.725,960 0.809,961 0.869,962 0.891,963 0.925,964 4.7,965 0.776,966 5.602,967 2.911,968 4.205,969 4.84,970 1.376,971 6.45,972 4.07,973 5.948,974 0.729,975 7.186,976 2.125,977 3.892,978 4.808,980 7.402,981 3.712,982 7.286,983 0.329,984 8.865,985 1.267,986 5.838,987 7.169,988 1.159,989 10.508,990 5.596,991 8.663,992 -0.266,993 10.597,994 0.443,995 6.312,996 7.939,998 12.259,999 6.024,1000 10.068,1001 -0.491,1002 12.364,1003 -0.673,1004 7.753,1005 9.792,1006 0.963,1007 14.892,1008 7.418,1009 11.494,1010 -0.551,1011 14.155,1012 -0.947,1013 8.587,1014 10.942,1016 16.985,1017 8.204,1018 12.937,1019 -0.793,1020 15.963,1021 -1.323,1022 9.837,1023 12.59,1024 0.787,1025 19.447,1026 9.41,1027 3.19,1028 -1.163,1029 17.786,1030 -2.38,1031 10.839,1032 13.927,1034 21.689,1035 10.362,1036 2.911,1037 10.727,1038 19.62,1039 -3.44,1040 12.016,1041 15.488,1042 0.634,1043 24.084,1044 11.494,1045 2.336,1046 9.734,1047 21.462,1048 4.572,1049 13.095,1050 16.915,1052 26.389,1053 12.521,1054 2.167,1055 6.738,1056 23.313,1057 3.98,1058 14.246,1059 18.442,1060 0.504,1061 28.759,1062 13.626,1063 2.015,1064 6.268,1065 25.169,1066 3.155,1067 15.359,1068 19.912,1070 31.092,1071 14.687,1072 1.781,1073 5.851,1074 27.03,1075 2.851,1076 16.503,1077 21.426,1078 0.395,1079 33.453,1080 15.782,1081 1.043,1082 5.345,1083 28.895,1084 2.757,1085 17.634,1086 22.917,1088 35.8,1089 16.859,1090 3863,1091 6988,1092 15.027,1093 22.989,1094 34.598,1095 35.325,1096 36.628,1097 34.468,1098 34.552,1099 47.026,1100 3.44,1101 102.815,1102 32.073,1103 5.315,1104 5.255,1105 6.214,1106 5.211,1107 5.19,1108 7.572,1109 1.72,1110 17.751,1111 5.026,1112 11.231,1113 1.504,1114 1.536,1115 1.593,1116 1.499,1117 1.502,1118 2.045,1119 0.15,1120 4.47,1121 1.394,1122 4.108,1123 4.157,1124 4.09,1125 3.949,1126 5.347,1127 3.977,1128 3.857,1129 3.879,1130 3.816,1131 3.733,1132 4.995,1133 3.753,1134 3.381,1135 3.462,1136 3.318,1137 3.11,1138 4.946,1139 3.153,1140 3.307,1141 3.362,1142 3.161,1143 3.006,1144 4.779,1145 3.032,1146 3.14,1147 3.231,1148 2.971,1149 2.864,1150 4.598,1151 2.853,1152 3.09,1153 3.213,1154 2.891,1155 2.764,1156 4.176,1157 2.802,1158 2.812,1159 2.882,1160 2.684,1161 2.663,1162 4.072,1163 2.664,1164 2.658,1165 2.729,1166 2.47,1167 2.507,1168 3.806,1169 2.491,1170 0.201,1171 0.142,1172 0.289,1173 0.18,1174 0.139,1175 4.623,1176 0.199,1177 3.255,1178 0.037,1179 6.645,1180 0.466,1181 4.138,1182 0.132,1183 3.19,1184 4.572,1185 0.86,1186 10.727,1187 3.026,1188 1.894,1189 1.878,1190 1.975,1191 2.017,1192 1.092,1193 1.998,1194 1.781,1195 1.733,1196 1.819,1197 1.989,1198 0.819,1199 1.951,1200 1.324,1201 1.265,1202 1.593,1203 1.611,1204 0.588,1205 1.587,1206 1.224,1207 1.158,1208 1.546,1209 1.554,1210 0.562,1211 1.549,1212 1.124,1213 1.03,1214 1.415,1215 1.422,1216 0.415,1217 1.452,1218 0.999,1219 0.897,1220 1.268,1221 1.378,1222 0.111,1223 1.359,1224 0.846,1225 0.756,1226 1.12,1227 1.185,1229 1.169,1230 0.728,1231 0.646,1232 1.007,1233 0.953,1235 0.986,1236 3.85,1238 5.187,1239 2.398,1240 6.725,1241 4.727,1242 8.357,1243 6.862,1244 10.038,1246 3.175,1250 11.385,1254 10.565,1262 22.665,1263 60.606,1264 130.141,1265 145.26,1266 156.015,1267 160.015,1268 166.015,1269 26.211,1270 6.896,1271 124.96,1272 124.96,1273 17,1274 12.419,1275 4.087,1276 3.17,1277 31.987,1278 60,1279 59,1280 0.271,1281 141.557,1282 228.78,1283 337.159,1284 7718,1286 14.983,1287 0.713,1288 0.55,1289 14.983,1290 11.545,1291 10.118,1292 0.44,1293 0.267,1294 5.967,1295 9.491,1296 5.803,1297 4.856,1298 10.118,1299 6.132,1300 9.129,1301 0.277,1302 0.131,1303 9.129,1304 4.316,1305 7.86,1306 0.175,1307 0.068,1308 7.86,1309 3.05,1310 6.756,1311 0.111,1312 0.034,1313 6.756,1314 2.066,1315 5.264,1316 0.068,1317 0.017,1318 5.264,1319 1.308,1320 0.406,1321 65.147,1322 0.258,1323 20.293,1324 0.798,1325 112,1326 377.364,1327 128.359,1328 360.271,1329 499.06,1330 338,1331 134,1332 378.485,1333 150.25,1334 383.076,1335 560.88,1336 357,1337 5.458}
{0 CHEMBL106383,1 1.62,2 8.565,3 2.01,4 4.041,5 88.773,6 8.28,7 0.808,8 3.766,9 3.892,10 3.42,11 3.287,12 4.997,13 3.31,14 4.222,15 4.371,16 3.808,17 3.672,18 5.448,19 3.679,20 4.374,21 4.54,22 3.872,23 3.777,24 5.56,25 3.775,26 4.432,27 4.6,28 3.833,29 3.787,30 5.633,31 3.759,32 4.502,33 4.723,34 3.624,35 3.732,36 5.576,37 3.664,38 4.403,39 4.658,40 3.468,41 3.589,42 5.381,43 3.497,44 4.146,45 4.369,46 3.38,47 3.37,48 5.246,49 3.328,50 4.043,51 4.28,52 3.19,53 3.196,54 5.206,55 3.15,56 0.09,57 0.622,58 6.367,59 2.656,60 11.518,61 3.16,62 0.265,63 0.947,64 11.456,65 4.869,66 22.906,67 5.923,68 0.251,69 1.088,70 13.535,71 5.237,72 23.18,73 6.553,74 0.272,75 1.121,76 14.349,77 5.964,78 26.537,79 7.476,80 0.339,81 1.115,82 17.972,83 6.039,84 35.698,85 8.006,86 0.335,87 0.946,88 18.352,89 6.294,90 29.288,91 9.04,92 0.188,93 0.778,94 12.831,95 4.341,96 20.363,97 5.951,98 0.252,99 0.699,100 11.715,101 3.333,102 25.153,103 4.661,104 11,105 38,106 0.286,107 0.653,108 0.767,109 0.85,110 0.869,111 0.879,112 3.19,113 0.81,114 -4.39,115 -4.32,116 -4.07,119 43.2,124 1,139 6,140 3,141 1,143 1,144 1,147 1,155 2,157 2,158 2,159 2,166 9,169 1,170 3,172 3,173 5,175 1,178 11,181 2,182 5,184 1,185 1,187 2,189 9,193 7,195 1,196 2,197 3,198 3,200 4,201 5,205 1,207 6,209 1,210 1,212 3,215 2,218 1,220 1,221 6,224 1,226 4,231 3,234 5,239 5,243 5,245 1,246 3,251 5,256 5,259 1,260 1,262 1,263 1,265 3,270 3,273 650,274 15.748,275 15.748,276 15.748,277 15.748,278 15.748,279 13.325,280 10.638,281 9.064,282 16.203,283 12.785,284 12.785,285 12.785,286 12.785,287 12.785,288 9.057,289 12.151,290 4.212,291 13.46,292 3.59,293 1.517,294 0.872,295 0.399,296 0.291,297 0.237,298 3.888,300 1,301 1,302 1,303 433,304 2.345,306 38.462,307 151.238,310 76.71,311 84.131,314 1.236,315 19.445,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50,327 197,328 4.683,329 3.287,330 6.822,331 4.217,332 3.245,333 4.648,334 0.86,335 11.311,336 3.167,337 4.516,338 3.114,339 6.524,340 4.004,341 3.049,342 4.464,344 10.266,345 2.898,346 3.903,347 2.683,348 6.016,349 3.489,350 2.537,351 3.404,353 8.488,354 2.416,355 3.539,356 2.293,357 5.218,358 3.065,359 2.14,360 2.949,362 6.224,363 1.979,364 3.421,365 2.143,366 5.032,367 2.957,368 2.017,369 2.791,371 5.849,372 1.893,373 3.343,374 1.961,375 4.97,376 2.848,377 1.902,378 2.71,380 5.478,381 1.788,382 2.898,383 1.43,384 4.371,385 2.386,386 1.42,387 2.085,389 3.934,390 1.37,391 2.763,392 1.341,393 3.693,394 2.262,395 1.27,396 1.892,398 2.852,399 1.257,400 2.422,401 1.221,402 3.639,403 1.961,404 1.009,405 1.39,407 2.435,408 0.954,409 2.188,410 0.856,411 3.594,412 1.672,413 0.769,414 1.064,415 2.128,416 0.694,417 1.704,418 0.728,419 2.988,420 1.358,421 0.458,422 0.554,423 0.81,424 0.408,425 1.141,426 -0.034,427 2.691,428 0.696,429 -0.228,430 -0.299,431 -0.514,432 -0.208,433 1.001,434 -0.225,435 2.51,436 0.558,437 -0.372,438 -0.49,439 -0.903,440 -0.344,441 0.89,442 -0.342,443 2.36,444 0.403,445 -0.55,446 -0.658,448 -1.323,449 -0.498,450 0.752,451 -0.567,452 2.234,453 0.355,454 -0.591,455 -0.869,457 -1.508,458 -0.586,459 10.733,460 0.467,461 0.589,462 0.026,463 35.5,464 1.543,465 19.5,466 0.848,467 16,468 0.696,469 14.001,470 0.609,471 23.467,472 0.634,473 24.836,474 1.08,475 7.119,476 0.31,477 4.05,478 0.176,479 0.121,481 0.419,485 1.1,486 1.182,487 0.74,488 0.875,489 1.282,490 0.751,491 0.862,492 0.839,493 0.673,494 0.822,495 0.603,496 0.754,497 1,498 1.039,499 0.854,500 0.945,501 0.83,502 0.883,503 0.901,504 1.133,505 1.006,506 1.226,507 0.706,508 1.166,509 1.172,510 1.008,511 1.234,512 1.08,513 1.175,514 1.146,515 0.654,516 0.91,517 0.883,518 0.949,519 0.629,520 0.958,521 1.028,522 1.22,523 0.935,524 1.082,525 0.946,526 1.006,527 1.178,528 1.11,529 1.179,530 1.018,531 1.358,532 1.062,533 4.5,534 0.049,535 2.889,536 2.069,537 1.561,538 0.771,539 0.474,540 0.335,541 0.247,542 0.126,543 5311,544 15192,545 2.141,546 37.8,548 9,551 5,555 1.661,556 2,557 3.095,558 2.718,559 1,560 1,562 1,564 59.937,565 1.62,566 3.692,567 4.337,568 4.811,569 4.919,570 4.973,571 2.488,572 4.089,573 4.497,574 3.189,575 806.696,576 7.763,577 8772,578 1,579 1,581 1,582 192.75,583 1.422,584 4.454,585 0.173,586 0.01,587 0.076,588 0.052,589 0.042,590 0.027,591 0.019,592 0.015,593 0.014,594 0.011,595 0.438,596 0.17,597 1,598 0.777,599 105.095,600 -0.21,601 -0.032,602 0.01,603 0.073,604 -0.354,605 0.092,606 0.163,607 0.236,608 0.161,609 0.157,610 0.191,611 0.142,612 -0.055,613 0.04,614 -0.008,615 0.009,616 -0.015,617 0.01,618 0.052,619 -0.091,620 -0.147,621 -0.255,622 0.129,623 -0.252,624 -0.229,625 -0.023,626 -0.273,627 -0.12,628 -0.25,629 -0.186,630 0.161,631 -0.029,632 0.162,633 0.081,634 0.138,635 0.115,636 -0.094,637 -0.268,638 0.05,639 -0.103,640 0.008,641 -0.017,642 -0.149,643 -0.108,644 -0.177,645 -0.11,646 -0.162,647 -0.131,648 1.551,649 1.923,650 0.826,651 15.924,652 1.013,653 1.131,654 3.158,655 9.972,656 0.69,657 3.296,658 3.664,659 4.007,660 4.344,661 4.595,662 4.736,663 4.875,664 5.024,665 5.136,666 5.159,667 5.087,668 0.674,669 306.36,670 3.296,671 4.86,672 5.746,673 6.658,674 7.562,675 8.479,676 9.389,677 10.308,678 11.22,679 12.14,680 16.2,684 2,688 1,690 3,694 4,695 6,696 3,697 1,700 5,702 21,711 2,716 1,718 37,719 21,720 2,721 26,723 40,724 16,725 15,726 4,727 6,729 4,730 6,741 15,742 1,753 1,754 1,757 14,758 6,759 5,760 7,763 1,764 6,769 0.5,770 1,776 1,780 1,781 3,784 1,785 1,802 2,806 1,810 23,811 2,818 1,829 2.7,834 1,836 11.5,837 6.933,838 5,839 1.953,840 4.316,841 1.575,842 1.069,843 3.147,844 11.825,845 3.624,846 4.353,847 5.078,848 5.786,849 6.4,850 6.849,851 7.348,852 7.862,853 8.295,854 8.648,855 0.833,856 40,857 8.404,859 3.627,860 7.761,861 15.82,863 13.021,865 2.261,866 52,870 105.94,871 91.73,872 132.936,874 11,877 91.73,878 116.94,879 132.936,880 10.883,882 122.652,883 54.4,884 43.504,885 4.227,886 105.94,888 105.94,889 224.666,890 11,893 105.94,894 11,897 24.872,898 149.438,899 50.357,901 105.94,902 143.936,903 91.73,906 105.94,907 23.989,908 67.741,909 16.786,910 127.151,911 105.94,912 143.936,913 91.73,915 0.588,916 0.361,917 0.211,918 0.115,919 21,920 9,921 0.05,922 2,923 2,924 1.211,925 3.445,926 199.033,927 0.211,928 19,929 104.042,933 13.939,934 5.193,935 2.198,936 3.052,937 127.151,938 11.827,939 12.608,940 3.16,943 2.768,945 82.58,946 341.606,947 36.5,956 37.473,957 41.86,958 0.311,959 0.709,960 0.833,961 0.923,962 0.944,963 0.955,964 4.862,965 1.27,966 5.753,967 3.934,968 4.344,969 5.04,970 0.908,971 6.627,972 4.25,973 6.12,974 1.009,975 7.348,976 2.852,977 4.007,978 5.007,980 7.627,981 3.874,982 7.466,983 0.769,984 9.043,985 2.435,986 5.994,987 7.425,988 0.739,989 10.772,990 5.824,991 8.853,992 0.458,993 10.796,994 2.128,995 6.479,996 8.233,998 12.595,999 6.275,1000 10.272,1001 -0.228,1002 12.587,1003 0.81,1004 7.946,1005 10.115,1006 0.593,1007 15.258,1008 7.715,1009 11.714,1010 -0.372,1011 14.403,1012 -0.514,1013 8.805,1014 11.315,1016 17.414,1017 8.543,1018 13.175,1019 -0.55,1020 16.237,1021 -0.903,1022 10.074,1023 12.983,1024 0.469,1025 19.911,1026 9.787,1027 3.245,1028 -0.591,1029 18.085,1030 -1.323,1031 11.101,1032 14.363,1034 22.207,1035 10.786,1036 3.049,1037 11.311,1038 19.943,1039 -1.508,1040 12.295,1041 15.943,1042 0.366,1043 24.643,1044 11.956,1045 2.537,1046 10.266,1047 21.81,1048 4.648,1049 13.395,1050 17.404,1052 26.999,1053 13.029,1054 2.14,1055 8.488,1056 23.684,1057 4.464,1058 14.563,1059 18.948,1060 0.283,1061 29.415,1062 14.173,1063 2.017,1064 6.224,1065 25.563,1066 3.404,1067 15.696,1068 20.443,1070 31.798,1071 15.28,1072 1.902,1073 5.849,1074 27.447,1075 2.949,1076 16.856,1077 21.974,1078 0.217,1079 34.208,1080 16.416,1081 1.42,1082 5.478,1083 29.334,1084 2.791,1085 18.004,1086 23.485,1088 36.606,1089 17.539,1090 5066,1091 8692,1092 17.512,1093 25.534,1094 39.877,1095 39.984,1096 41.427,1097 39.621,1098 39.632,1099 55.902,1100 1.72,1101 119.549,1102 37.648,1103 5.357,1104 5.287,1105 6.501,1106 5.29,1107 5.245,1108 7.648,1109 1.72,1110 18.769,1111 5.167,1112 10.387,1113 1.534,1114 1.538,1115 1.593,1116 1.524,1117 1.524,1118 2.15,1119 0.066,1120 4.598,1121 1.448,1122 4.156,1123 4.192,1124 4.133,1125 4.074,1126 5.347,1127 4.081,1128 3.983,1129 4.019,1130 3.955,1131 3.828,1132 4.998,1133 3.861,1134 3.498,1135 3.547,1136 3.416,1137 3.395,1138 4.962,1139 3.392,1140 3.392,1141 3.457,1142 3.319,1143 3.148,1144 4.801,1145 3.182,1146 3.186,1147 3.265,1148 3.033,1149 2.919,1150 4.54,1151 2.94,1152 3.089,1153 3.212,1154 2.965,1155 2.799,1156 4.233,1157 2.799,1158 2.934,1159 2.998,1160 2.77,1161 2.745,1162 4.058,1163 2.771,1164 2.664,1165 2.723,1166 2.539,1167 2.573,1168 3.806,1169 2.558,1170 0.18,1171 0.126,1172 0.262,1173 0.162,1174 0.125,1175 4.683,1176 0.179,1177 3.287,1178 0.033,1179 6.822,1180 0.435,1181 4.217,1182 0.122,1183 3.245,1184 4.648,1185 0.86,1186 11.311,1187 3.167,1188 2.074,1189 2.06,1190 2.142,1191 2.134,1192 1.302,1193 2.136,1194 1.782,1195 1.733,1196 1.82,1197 2.001,1198 0.822,1199 1.955,1200 1.523,1201 1.483,1202 1.68,1203 1.68,1204 0.721,1205 1.674,1206 1.336,1207 1.288,1208 1.578,1209 1.605,1210 0.588,1211 1.593,1212 1.128,1213 1.039,1214 1.387,1215 1.415,1216 0.42,1217 1.429,1218 0.999,1219 0.899,1220 1.268,1221 1.376,1222 0.195,1223 1.358,1224 0.939,1225 0.871,1226 1.182,1227 1.187,1228 0.054,1229 1.182,1230 0.756,1231 0.653,1232 1.043,1233 1.059,1235 1.077,1236 3.97,1238 5.323,1239 2.398,1240 6.884,1241 4.727,1242 8.545,1243 6.862,1244 10.257,1246 1.654,1250 11.508,1254 5.423,1262 24.95,1263 59.937,1264 136.611,1265 160.485,1266 177.995,1267 181.995,1268 183.995,1269 26.638,1270 7.509,1271 115.73,1272 115.73,1273 23,1274 12.65,1275 4.459,1276 3.524,1277 31.719,1278 70,1279 67,1280 0.229,1281 153.09,1282 243.35,1283 365.299,1284 17301,1286 15.974,1287 0.695,1288 0.538,1289 15.974,1290 12.369,1291 11.169,1292 0.43,1293 0.27,1294 6.897,1295 10.699,1296 6.745,1297 5.603,1298 11.169,1299 7.019,1300 10.231,1301 0.269,1302 0.134,1303 10.231,1304 5.111,1305 9.027,1306 0.167,1307 0.069,1308 9.027,1309 3.748,1310 8.174,1311 0.108,1312 0.036,1313 8.174,1314 2.723,1315 6.547,1316 0.067,1317 0.019,1318 6.547,1319 1.82,1320 0.346,1321 70.34,1322 0.239,1323 21.965,1324 0.67,1325 128,1326 371.628,1327 141.48,1328 366.146,1329 518.09,1330 344,1331 156,1332 402.94,1333 169.592,1334 410.167,1335 606.53,1336 386,1337 4.886}
{0 CHEMBL107023,1 1.722,2 9.435,3 2.937,4 8.628,5 94.884,6 8.06,7 0.64,8 3.828,9 3.943,10 3.504,11 3.372,12 4.996,13 3.342,14 4.316,15 4.475,16 3.856,17 3.736,18 5.433,19 3.685,20 4.424,21 4.585,22 3.888,23 3.841,24 5.49,25 3.778,26 4.562,27 4.734,28 3.897,29 3.901,30 5.618,31 3.789,32 4.658,33 4.894,34 3.546,35 3.842,36 5.577,37 3.67,38 4.527,39 4.794,40 3.511,41 3.675,42 5.376,43 3.532,44 4.374,45 4.598,46 3.625,47 3.572,48 5.343,49 3.478,50 4.261,51 4.467,52 3.599,53 3.498,54 5.372,55 3.4,56 0.067,57 0.627,58 8.435,59 3.746,60 10.652,61 4.455,62 0.304,63 0.953,64 17.534,65 6.584,66 26.574,67 7.781,68 0.188,69 1.069,70 17.061,71 6.928,72 16.833,73 8.531,74 0.268,75 1.209,76 23.266,77 8.488,78 27.373,79 10.603,80 0.458,81 1.215,82 29.952,83 9.634,84 41.64,85 12.057,86 0.275,87 1,88 23.334,89 8.201,90 30.598,91 11.089,92 0.317,93 0.873,94 21.599,95 7.071,96 26.976,97 8.574,98 0.321,99 0.841,100 18.079,101 5.977,102 27.744,103 7.502,104 21,105 35,106 0.304,107 0.652,108 0.754,109 0.809,110 0.843,111 0.869,112 3.188,113 0.96,114 -3.68,115 -3.64,116 -3.47,119 39,121 2,124 2,139 3,140 3,141 2,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 6,169 1,170 7,172 3,173 3,175 1,178 8,180 1,182 7,187 1,189 7,191 1,193 5,195 1,196 1,197 1,198 4,200 2,201 5,204 4,205 1,206 1,207 4,212 2,215 4,218 2,221 4,226 2,229 3,231 2,234 4,239 2,241 2,243 2,245 2,246 3,248 1,249 1,251 2,254 1,256 2,259 2,260 2,262 1,263 1,265 2,270 2,273 667,274 15.618,275 15.618,276 15.618,277 15.618,278 15.618,279 13.668,280 19.174,281 9.024,282 16.325,283 12.197,284 12.197,285 12.197,286 12.197,287 12.197,288 9.114,289 21.887,290 4.094,291 13.157,292 3.636,293 1.658,294 1.08,295 0.769,296 0.573,297 0.427,298 3.867,300 1,301 1,302 1,303 460,304 2.828,306 47.618,307 133.086,310 89.577,314 1.285,315 19.408,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 50,327 217,328 4.638,329 3.274,330 6.78,331 4.139,332 3.189,333 4.608,334 0.86,335 11.108,336 3.036,337 4.265,338 3.166,339 6.172,340 3.869,341 2.901,342 3.91,343 0.86,344 9.169,345 2.805,346 3.709,347 2.687,348 5.307,349 3.271,350 2.34,351 3.155,353 6.701,354 2.177,355 3.543,356 2.502,357 5.22,358 3.158,359 2.235,360 2.855,362 6.488,363 2.054,364 3.407,365 2.098,366 5.063,367 2.859,368 1.98,369 2.788,371 5.791,372 1.745,373 3.088,374 2.062,375 4.773,376 2.742,377 1.799,378 2.259,380 5.046,381 1.669,382 2.89,383 1.832,384 4.384,385 2.493,386 1.533,387 2.029,389 4.193,390 1.462,391 2.305,392 1.249,393 3.589,394 1.741,395 0.861,396 1.222,398 2.117,399 0.741,400 1.996,401 0.917,402 3.26,403 1.643,404 0.783,405 0.918,407 1.607,408 0.661,409 1.737,410 0.887,411 3,412 1.489,413 0.563,414 0.645,415 1.139,416 0.517,417 1.444,418 0.657,419 2.699,420 1.18,421 0.32,422 0.352,423 0.439,424 0.273,425 1.115,426 0.124,427 2.64,428 0.708,429 -0.214,430 -0.264,431 -0.515,432 -0.196,433 0.912,434 -0.154,435 2.413,436 0.504,437 -0.409,438 -0.514,439 -0.891,440 -0.367,441 0.734,442 -0.293,443 2.216,444 0.366,445 -0.541,446 -0.642,448 -1.225,449 -0.486,450 0.615,451 -0.44,452 2.054,453 0.209,454 -0.736,455 -0.909,457 -1.924,458 -0.68,459 11.1,460 0.483,461 0.554,462 0.024,463 31,464 1.348,465 16,466 0.696,467 15,468 0.652,469 17.784,470 0.773,471 24.9,472 0.607,473 20.846,474 0.906,475 6.068,476 0.264,477 5.049,478 0.22,479 0.162,481 0.36,485 1.015,486 1.145,487 0.763,488 0.917,489 1.196,490 0.868,491 1.108,492 0.774,493 0.824,494 0.814,495 0.678,496 0.741,497 1.078,498 1.122,499 0.835,500 0.932,501 0.919,502 0.974,503 0.902,504 1.334,505 1.135,506 1.365,507 0.846,508 1.304,509 0.937,510 1.027,511 1.399,512 1.249,513 1.139,514 1.236,515 0.784,516 0.798,517 0.693,518 0.78,519 0.743,520 0.87,521 1.3,522 0.899,523 0.858,524 0.861,525 0.956,526 0.79,527 0.809,528 1.134,529 0.952,530 1.107,531 0.912,532 1.049,533 5,534 0.091,535 2.667,536 1.91,537 1.383,538 0.608,539 0.402,540 0.313,541 0.28,542 0.178,543 5404,544 16193,545 2.041,546 43.9,547 4,548 9,549 1,551 4,555 1.658,556 1.89,557 3.204,558 1.865,559 1,560 1,562 1,564 70.601,565 1.722,566 3.7,567 4.278,568 4.589,569 4.784,570 4.93,571 2.616,572 4.263,573 4.499,574 3.335,575 843.72,576 7.748,577 9622.42,578 1,579 1,581 1,582 219.66,583 1.478,584 4.443,585 0.2,586 0.01,587 0.076,588 0.053,589 0.043,590 0.026,591 0.017,592 0.013,593 0.012,594 0.01,595 0.462,596 0.17,597 1,598 0.942,599 107.292,600 -0.126,601 0.014,602 0.049,603 0.06,604 -0.223,605 0.06,606 0.018,607 0.275,608 0.134,609 0.211,610 0.192,611 0.219,612 -0.15,613 -0.06,614 -0.013,615 0.012,616 -0.102,617 -0.029,618 -0.02,619 -0.305,620 -0.141,621 -0.306,622 0.003,623 -0.317,624 -0.072,625 -0.052,626 -0.321,627 -0.199,628 -0.213,629 -0.234,630 0.015,631 0.062,632 0.171,633 0.124,634 0.046,635 0.15,636 -0.093,637 0.003,638 0.176,639 0.149,640 -0.002,641 0.205,642 0.221,643 -0.123,644 0.071,645 -0.105,646 0.108,647 -0.087,648 1.46,649 2.004,650 0.652,651 16.696,652 1.008,653 1.128,654 2.446,655 5.983,656 0.681,657 3.258,658 3.584,659 3.871,660 4.143,661 4.29,662 4.357,663 4.369,664 4.419,665 4.466,666 4.489,667 5.625,668 0.644,669 330.45,670 3.258,671 4.796,672 5.652,673 6.538,674 7.41,675 8.301,676 9.179,677 10.072,678 10.952,679 11.846,680 9.8,684 2,690 2,694 2,695 4,696 2,699 1,700 6,702 16,711 2,716 2,718 41,719 16,720 1,721 25,723 43,724 16,725 12,726 3,727 3,729 3,730 4,739 2,741 12,742 4,753 1,754 1,757 18,758 6,759 4,760 7,761 1,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,804 1,806 2,810 23,811 2,816 2,818 2,825 1,829 4.9,834 2,836 12.167,837 7.9,838 5.194,839 2.158,840 3.185,841 1.455,842 0.993,843 4.755,844 10.191,845 3.526,846 4.186,847 4.825,848 5.443,849 5.914,850 6.189,851 6.447,852 6.767,853 6.892,854 7.125,855 1,856 36,857 8.427,859 3.485,860 7.725,861 16.035,863 12.812,865 2.225,866 51.167,869 1,870 164.795,871 118.166,872 99.365,874 22,876 31.278,877 86.888,878 186.795,879 99.365,880 21.766,881 5.069,882 101.872,883 33.888,884 41.431,885 15.998,886 184.302,888 164.795,889 186.253,890 22,891 31.278,893 164.795,894 22,897 7.285,898 145.397,899 33.571,900 31.278,901 164.795,902 121.365,903 118.166,906 164.795,907 60.322,908 57.844,910 121.365,911 164.795,912 121.365,913 118.166,915 0.578,916 0.352,917 0.196,918 0.099,919 17,920 8,921 0.116,922 5,923 1,924 1.133,925 3.474,926 182.374,927 0.133,928 15,929 104.042,930 1,933 16.117,934 6.785,935 3.293,936 1.716,937 121.365,938 7.849,939 8.291,942 1.528,943 4.498,945 65.794,946 404.326,947 33,956 41.323,957 46.238,958 0.321,959 0.691,960 0.798,961 0.857,962 0.893,963 0.92,964 4.754,965 0.861,966 5.645,967 4.193,968 4.263,969 4.871,970 1.376,971 6.472,972 4.129,973 5.984,974 0.783,975 7.216,976 2.117,977 3.892,978 4.808,980 7.416,981 3.728,982 7.312,983 0.563,984 8.884,985 1.607,986 5.872,987 7.177,988 1.159,989 10.511,990 5.646,991 8.68,992 0.32,993 10.609,994 1.139,995 6.312,996 7.943,998 12.295,999 6.052,1000 10.079,1001 -0.214,1002 12.372,1003 0.439,1004 7.768,1005 9.795,1006 0.963,1007 14.92,1008 7.465,1009 11.5,1010 -0.409,1011 14.162,1012 -0.515,1013 8.585,1014 10.955,1016 17.062,1017 8.243,1018 12.94,1019 -0.541,1020 15.973,1021 -0.891,1022 9.839,1023 12.603,1024 0.787,1025 19.531,1026 9.46,1027 3.189,1028 -0.736,1029 17.8,1030 -1.225,1031 10.833,1032 13.952,1034 21.824,1035 10.41,1036 2.901,1037 11.108,1038 19.641,1039 -1.924,1040 12.011,1041 15.518,1042 0.634,1043 24.241,1044 11.549,1045 2.34,1046 9.169,1047 21.493,1048 4.608,1049 13.086,1050 16.958,1052 26.595,1053 12.577,1054 2.235,1055 6.701,1056 23.354,1057 3.91,1058 14.237,1059 18.492,1060 0.504,1061 28.997,1062 13.686,1063 1.98,1064 6.488,1065 25.223,1066 3.155,1067 15.349,1068 19.973,1070 31.378,1071 14.749,1072 1.799,1073 5.791,1074 27.099,1075 2.855,1076 16.493,1077 21.497,1078 0.395,1079 33.777,1080 15.848,1081 1.533,1082 5.046,1083 28.979,1084 2.788,1085 17.622,1086 22.999,1088 36.169,1089 16.928,1090 5335,1091 9354,1092 16.414,1093 27.909,1094 37.004,1095 37.735,1096 39.097,1097 36.929,1098 37.012,1099 49.479,1100 3.44,1101 107.595,1102 34.279,1103 5.486,1104 5.274,1105 6.349,1106 5.245,1107 5.189,1108 7.608,1109 1.72,1110 17.998,1111 5.036,1112 12.162,1113 1.48,1114 1.509,1115 1.564,1116 1.477,1117 1.48,1118 1.979,1119 0.138,1120 4.304,1121 1.371,1122 4.075,1123 4.096,1124 4.32,1125 4.056,1126 5.303,1127 4.014,1128 3.92,1129 3.937,1130 3.884,1131 3.845,1132 4.981,1133 3.844,1134 3.474,1135 3.541,1136 3.491,1137 3.29,1138 4.913,1139 3.302,1140 3.323,1141 3.371,1142 3.285,1143 3.118,1144 4.618,1145 3.088,1146 3.212,1147 3.28,1148 3.156,1149 3.009,1150 4.6,1151 3.011,1152 3.124,1153 3.21,1154 2.972,1155 2.865,1156 4.169,1157 2.852,1158 3.07,1159 3.188,1160 2.882,1161 2.796,1162 4.067,1163 2.8,1164 2.768,1165 2.844,1166 2.642,1167 2.63,1168 3.815,1169 2.61,1170 0.186,1171 0.131,1172 0.271,1173 0.166,1174 0.128,1175 4.638,1176 0.184,1177 3.274,1178 0.034,1179 6.78,1180 0.444,1181 4.139,1182 0.121,1183 3.189,1184 4.608,1185 0.86,1186 11.108,1187 3.036,1188 1.925,1189 1.905,1190 2.033,1191 2.031,1192 1.28,1193 2.029,1194 1.809,1195 1.781,1196 1.863,1197 1.962,1198 1.01,1199 1.936,1200 1.533,1201 1.506,1202 1.659,1203 1.677,1204 0.788,1205 1.699,1206 1.244,1207 1.193,1208 1.59,1209 1.564,1210 0.587,1211 1.57,1212 1.172,1213 1.12,1214 1.532,1215 1.44,1216 0.562,1217 1.475,1218 1.114,1219 1.027,1220 1.319,1221 1.372,1222 0.51,1223 1.372,1224 0.975,1225 0.898,1226 1.208,1227 1.202,1228 0.173,1229 1.271,1230 0.85,1231 0.752,1232 1.055,1233 1.146,1234 0.064,1235 1.159,1236 3.932,1238 5.252,1239 2.398,1240 6.772,1241 4.727,1242 8.387,1243 6.843,1244 10.053,1246 3.32,1250 11.647,1252 1.608,1254 10.709,1262 26.39,1263 70.601,1264 151.685,1265 175.395,1266 188.15,1267 196.15,1268 202.15,1269 31.764,1270 7.006,1271 96.28,1272 124.52,1273 17,1274 12.375,1275 4.087,1276 3.17,1277 36.833,1278 79,1279 70,1280 0.235,1281 167.877,1282 277.19,1283 401.379,1284 9760,1286 16.397,1287 0.713,1288 0.601,1289 16.751,1290 13.814,1291 11.118,1292 0.445,1293 0.32,1294 7.065,1295 10.154,1296 6.756,1297 5.639,1298 11.572,1299 8,1300 9.822,1301 0.281,1302 0.17,1303 10.373,1304 5.944,1305 8.392,1306 0.179,1307 0.098,1308 9.065,1309 4.627,1310 7.258,1311 0.117,1312 0.058,1313 8.15,1314 3.567,1315 5.313,1316 0.074,1317 0.032,1318 6.025,1319 2.269,1320 0.364,1321 74.872,1322 0.247,1323 22.409,1324 0.653,1325 120,1326 366.246,1327 154.979,1328 372.495,1329 511.82,1330 350,1331 142,1332 363.815,1333 173.353,1334 386.075,1335 561.79,1336 359,1337 5.509}
{0 CHEMBL107079,1 1.768,2 7.526,3 2.868,4 8.224,5 82.402,6 9.693,7 0.762,8 3.536,9 3.649,10 3.377,11 3.215,12 4.752,13 3.164,14 3.978,15 4.114,16 3.834,17 3.62,18 5.204,19 3.541,20 4.131,21 4.269,22 3.82,23 3.712,24 5.283,25 3.614,26 4.166,27 4.313,28 3.839,29 3.69,30 5.35,31 3.583,32 4.208,33 4.391,34 3.564,35 3.624,36 5.317,37 3.479,38 4.196,39 4.446,40 3.322,41 3.408,42 5.242,43 3.248,44 3.917,45 4.205,46 3.32,47 3.058,48 4.952,49 2.873,50 3.43,51 3.703,52 2.794,53 2.481,54 4.662,55 2.308,56 0.063,57 0.474,58 4.011,59 2.322,60 10.121,61 2.515,62 0.15,63 0.74,64 8.675,65 4.354,66 16.421,67 5.207,68 0.16,69 0.83,70 15.033,71 5.502,72 16.48,73 5.63,74 0.159,75 0.878,76 12.597,77 5.324,78 18.468,79 6.284,80 0.172,81 0.92,82 17.151,83 6.492,84 20.153,85 6.528,86 0.222,87 0.833,88 16.454,89 5.938,90 28.884,91 6.83,92 0.215,93 0.557,94 18.173,95 4.911,96 27.624,97 5.81,98 0.245,99 0.279,100 14.003,101 3.066,102 28.143,103 3.738,104 17,105 31,106 0.332,107 0.704,108 0.767,109 0.817,110 0.817,111 0.817,112 3.013,113 0.976,114 -4.46,115 -4.39,116 -4.14,119 43.3,120 1,139 4,140 3,141 1,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 6,169 1,170 3,172 3,173 3,175 1,178 13,180 1,182 2,187 1,189 11,191 1,193 4,195 1,196 1,197 1,198 4,200 2,201 7,204 4,205 1,207 5,212 4,215 5,218 4,221 4,226 4,229 1,231 4,239 2,241 2,243 2,246 2,251 3,256 3,273 400,274 12.516,275 12.516,276 12.516,277 12.516,278 12.516,279 10.523,280 10.351,281 7.157,282 13.028,283 10.355,284 10.355,285 10.355,286 10.355,287 10.355,288 7.392,289 9.612,290 3.406,291 11.258,292 3.139,293 1.158,294 0.825,295 0.558,296 0.558,297 0.558,298 3.684,299 1,300 1,301 1,302 1,303 306,304 2,306 35.166,307 94.713,310 67.099,314 1.08,315 15.488,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 40.333,327 143,328 4.751,329 3.365,330 7.039,331 4.28,332 3.324,333 4.721,335 12.074,336 3.187,337 4.067,338 2.926,339 5.989,340 3.613,341 2.664,342 3.688,344 8.395,345 2.523,346 3.767,347 2.653,348 5.244,349 3.271,350 2.37,351 3.256,353 6.44,354 2.106,355 3.462,356 2.209,357 5.103,358 2.935,359 2.056,360 2.849,362 6.026,363 1.824,364 3.351,365 2.131,366 4.962,367 2.893,368 1.98,369 2.653,371 5.681,372 1.721,373 3.067,374 1.831,375 4.772,376 2.588,377 1.67,378 2.284,380 4.884,381 1.502,382 2.5,383 1.091,384 4.046,385 2,386 1,387 1.5,389 2.763,390 1,391 2.351,392 1,393 3.414,394 1.848,395 0.949,396 1.295,398 2.275,399 0.828,400 1.223,401 0.385,402 2.81,403 0.814,404 -0.074,405 -0.091,407 -0.175,408 -0.056,409 1.139,410 -0.109,411 2.727,412 0.625,413 -0.247,414 -0.33,415 -0.665,416 -0.213,417 0.794,418 -0.228,419 2.394,420 0.359,421 -0.526,422 -0.641,423 -1.291,424 -0.437,425 0.568,426 -0.334,427 2.151,428 0.258,429 -0.641,430 -0.744,431 -1.545,432 -0.548,433 0.5,434 -0.913,435 2,437 -1,438 -1.437,439 -3,440 -0.958,441 0.16,442 -1,443 1.702,444 -0.252,445 -1.132,446 -1.5,448 -3.001,449 -1,450 -0.065,451 -1.131,452 1.55,453 -0.56,454 -1.332,455 -1.76,457 -3.433,458 -1.084,459 9.648,460 0.508,461 0.613,462 0.032,463 27.25,464 1.434,465 15,466 0.789,467 12.25,468 0.645,469 13.838,470 0.728,471 19.152,472 0.638,473 16.652,474 0.876,475 5.137,476 0.27,477 3.922,478 0.206,479 0.209,481 0.415,485 0.961,486 0.921,487 0.615,488 0.618,489 1.211,490 0.643,491 0.393,492 0.731,493 0.593,494 0.714,495 0.36,496 0.668,497 1.176,498 1.061,499 1.2,500 1.091,501 0.976,502 0.954,503 0.651,504 1.252,505 0.902,506 1.205,507 0.702,508 1.157,509 1.01,510 1.309,511 1.224,512 1.439,513 0.972,514 1.31,515 1.098,516 1.068,517 0.889,518 0.99,519 1.121,520 1.139,521 1.183,522 0.805,523 0.661,524 0.568,525 1.275,526 0.773,527 1.229,528 0.694,529 1.462,530 0.995,531 1.252,532 0.999,533 4.5,535 2.222,536 2.194,537 1.597,538 0.674,539 0.368,540 0.273,541 0.049,542 0.051,543 2894,544 10067,545 2.05,546 36.7,548 4,551 4,552 3,555 1.608,556 1.869,557 2.874,558 2.038,560 1,562 1,564 53.047,565 1.768,566 3.748,567 4.082,568 4.348,569 4.348,570 4.348,571 2.36,572 3.932,573 4.218,574 2.951,575 504.567,576 7.213,577 4731.53,578 1,579 1,580 1,581 1,582 147.207,583 1.529,584 4.153,585 0.214,587 0.072,588 0.071,589 0.055,590 0.029,591 0.023,592 0.025,593 0.008,594 0.026,595 0.523,596 0.33,597 1,598 0.697,599 80.076,600 -0.216,601 0.161,602 -0.001,603 0.18,604 -0.362,605 0.131,606 0.342,607 0.296,608 0.178,609 0.202,610 0.314,611 0.21,612 -0.269,613 -0.021,614 -0.225,615 -0.091,616 -0.185,617 -0.069,618 0.128,619 -0.265,620 -0.055,621 -0.264,622 0.11,623 -0.255,624 -0.241,625 -0.256,626 -0.332,627 -0.369,628 -0.156,629 -0.369,630 -0.184,631 -0.118,632 -0.067,633 -0.067,634 -0.161,635 -0.134,636 -0.016,637 0.058,638 0.408,639 0.394,640 -0.058,641 0.337,642 0.444,643 0.069,644 0.1,645 0.003,646 0.354,647 0.154,648 1.464,649 1.988,650 0.789,651 11.424,652 1.011,653 1.117,654 3.232,655 10.447,656 0.752,657 3.091,658 3.466,659 3.761,660 4.111,661 4.331,662 4.394,663 4.466,664 4.522,665 4.369,666 4.248,667 4.342,668 0.707,669 290.8,670 3.091,671 4.654,672 5.525,673 6.441,674 7.336,675 8.258,676 9.163,677 10.087,678 10.998,679 11.922,680 13.3,684 2,690 2,694 2,695 4,696 2,699 1,700 6,702 16,711 2,717 1,718 30,719 16,720 1,721 21,723 32,724 13,725 12,726 2,727 4,729 3,730 4,731 1,734 1,741 12,742 1,753 1,754 1,757 11,758 4,759 4,760 6,761 2,764 4,769 0.667,776 1,780 1,781 2,784 1,802 2,804 1,806 1,807 1,810 19,811 2,825 1,828 1,836 10.167,837 5.71,838 4.056,839 1.604,840 3.172,841 1.475,842 1.046,843 3.07,844 9.853,845 3.401,846 4.123,847 4.793,848 5.499,849 6.075,850 6.446,851 6.873,852 7.305,853 7.474,854 7.699,855 1,856 31,857 6.941,859 2.966,860 7.778,861 13.119,863 10.828,865 2.278,866 43.278,867 0.001,870 82.398,871 96.355,872 99.365,873 39.149,876 31.278,877 65.077,878 121.546,879 99.365,880 8.825,882 103.699,883 33.888,884 12.445,885 5.585,886 113.675,887 39.149,888 82.398,889 164.443,891 70.426,893 82.398,897 11.041,898 119.83,899 72.72,900 31.278,901 82.398,902 99.365,903 135.504,906 82.398,907 49.625,908 46.73,910 138.514,911 82.398,912 99.365,913 135.504,915 0.597,916 0.35,917 0.203,918 0.116,919 17,920 8,921 0.031,922 1,923 1,924 1.133,925 3.024,926 147.922,927 0.133,928 15,929 76.711,930 1,933 12.634,934 4.617,935 2.15,936 1.673,937 99.365,938 7.64,939 8.284,942 1.562,943 4.548,945 65.794,946 317.267,947 29,956 30.342,957 33.518,958 0.36,959 0.764,960 0.832,961 0.886,962 0.886,963 0.886,964 4.644,965 0.949,966 5.549,967 2.763,968 4.143,969 4.808,971 6.422,972 3.992,973 5.911,974 -0.074,975 7.146,976 2.275,977 3.892,978 4.808,980 7.441,981 3.654,982 7.257,983 -0.247,984 8.842,985 -0.175,986 5.79,987 7.158,989 10.599,990 5.537,991 8.641,992 -0.526,993 10.596,994 -0.665,995 6.312,996 7.959,998 12.496,999 6.003,1000 10.055,1001 -0.641,1002 12.39,1003 -1.291,1004 7.749,1005 9.821,1007 15.203,1008 7.424,1009 11.493,1010 -1,1011 14.213,1012 -1.545,1013 8.638,1014 11.017,1016 17.472,1017 8.274,1018 12.952,1019 -1.132,1020 16.062,1021 -3,1022 9.906,1023 12.683,1025 20.031,1026 9.519,1027 3.324,1028 -1.332,1029 17.929,1030 -3.001,1031 10.967,1032 14.073,1034 22.441,1035 10.543,1036 2.664,1037 12.074,1038 19.813,1039 -3.433,1040 12.178,1041 15.662,1043 24.952,1044 11.724,1045 2.37,1046 8.395,1047 21.71,1048 4.721,1049 13.314,1050 17.14,1052 27.414,1053 12.823,1054 2.056,1055 6.44,1056 23.617,1057 3.688,1058 14.51,1059 18.701,1061 29.91,1062 13.984,1063 1.98,1064 6.026,1065 25.533,1066 3.256,1067 15.68,1068 20.219,1070 32.39,1071 15.115,1072 1.67,1073 5.681,1074 27.455,1075 2.849,1076 16.873,1077 21.771,1079 34.882,1080 16.27,1081 1,1082 4.884,1083 29.383,1084 2.653,1085 18.058,1086 23.307,1088 37.369,1089 17.415,1090 2889,1091 5479,1092 13.641,1093 22.574,1094 32.537,1095 32.576,1096 33.901,1097 32.231,1098 32.026,1099 44.496,1101 97.075,1102 29.382,1103 5.408,1104 5.365,1105 6.453,1106 5.4,1107 5.324,1108 7.721,1110 19.282,1111 5.187,1112 10.18,1113 1.549,1114 1.551,1115 1.614,1116 1.535,1117 1.525,1118 2.119,1120 4.623,1121 1.399,1122 4.103,1123 4.118,1124 4.343,1125 4.097,1126 5.304,1127 4.058,1128 3.819,1129 3.847,1130 3.966,1131 3.769,1132 4.984,1133 3.75,1134 3.43,1135 3.493,1136 3.514,1137 3.266,1138 4.939,1139 3.266,1140 3.097,1141 3.213,1142 3.331,1143 2.89,1144 4.615,1145 2.871,1146 2.942,1147 3.046,1148 2.986,1149 2.735,1150 4.284,1151 2.715,1152 2.854,1153 2.925,1154 2.783,1155 2.729,1156 4.048,1157 2.714,1158 2.825,1159 2.857,1160 2.687,1161 2.704,1162 3.704,1163 2.682,1164 2.351,1165 2.485,1166 2.451,1167 2.05,1168 3.674,1169 2.026,1170 0.226,1171 0.16,1172 0.335,1173 0.204,1174 0.158,1175 4.751,1176 0.225,1177 3.365,1179 7.039,1180 0.575,1181 4.28,1182 0.152,1183 3.324,1184 4.721,1186 12.074,1187 3.187,1188 1.941,1189 1.923,1190 2.011,1191 2.021,1192 1.161,1193 2.018,1194 1.746,1195 1.717,1196 1.777,1197 1.894,1198 0.86,1199 1.883,1200 1.504,1201 1.484,1202 1.663,1203 1.602,1204 0.831,1205 1.655,1206 1.032,1207 0.954,1208 1.286,1209 1.376,1210 0.242,1211 1.365,1212 0.886,1213 0.821,1214 1.181,1215 1.168,1216 0.218,1217 1.175,1218 0.872,1219 0.781,1220 1.113,1221 1.062,1223 1.107,1224 0.811,1225 0.751,1226 0.942,1227 0.982,1229 1.028,1230 0.463,1231 0.389,1232 0.623,1233 0.625,1235 0.691,1236 3.761,1238 5.118,1239 2.398,1240 6.668,1241 4.844,1242 8.314,1243 7.05,1244 10.011,1246 2.034,1247 5.92,1250 11.618,1262 21.207,1263 53.047,1264 112.452,1265 122.452,1266 130.452,1267 130.452,1268 130.452,1269 23.233,1270 6.681,1271 77.82,1272 106.06,1273 17,1274 12.43,1275 4.087,1276 3.17,1277 27.628,1278 48,1279 55,1280 0.294,1281 139.44,1282 222.92,1283 331.993,1284 5760,1285 3.3,1286 13.569,1287 0.714,1288 0.617,1289 14.422,1290 11.717,1291 9.059,1292 0.431,1293 0.325,1294 5.693,1295 8.073,1296 5.41,1297 4.48,1298 9.755,1299 6.835,1300 8.702,1301 0.281,1302 0.188,1303 9.812,1304 5.827,1305 7.062,1306 0.168,1307 0.099,1308 8.043,1309 4.157,1310 6.437,1311 0.107,1312 0.055,1313 7.56,1314 3.305,1315 5.114,1316 0.068,1317 0.03,1318 6.153,1319 2.276,1320 0.434,1321 63.003,1322 0.271,1323 18.418,1324 0.892,1325 104,1326 288.978,1327 152.082,1328 342.06,1329 466.68,1330 318,1331 125,1332 316.93,1333 162.134,1334 350.311,1335 516.48,1336 330,1337 4}
{0 CHEMBL107167,1 1.863,2 7.75,3 4.164,4 17.341,5 87.284,6 10.841,7 0.727,8 3.546,9 3.647,10 3.47,11 3.249,12 4.783,13 3.198,14 3.99,15 4.112,16 3.951,17 3.665,18 5.25,19 3.588,20 4.152,21 4.268,22 4.143,23 3.797,24 5.409,25 3.692,26 4.198,27 4.325,28 3.94,29 3.749,30 5.414,31 3.608,32 4.18,33 4.366,34 3.686,35 3.597,36 5.292,37 3.438,38 4.076,39 4.312,40 3.664,41 3.415,42 5.132,43 3.277,44 3.846,45 4.044,46 3.406,47 3.144,48 5.12,49 3.037,50 3.66,51 3.908,52 3.213,53 2.806,54 4.936,55 2.669,56 0.092,57 0.463,58 2.352,59 2.136,60 11.648,61 2.108,62 0.182,63 0.723,64 6.692,65 4.109,66 17.993,67 4.775,68 0.265,69 0.802,70 12.84,71 4.875,72 24.251,73 4.781,74 0.238,75 0.898,76 17.702,77 6.585,78 22.839,79 6.365,80 0.297,81 0.852,82 18.786,83 6.2,84 30.607,85 5.282,86 0.224,87 0.66,88 17.438,89 5.849,90 22.619,91 7.158,92 0.27,93 0.518,94 11.431,95 3.612,96 29.148,97 3.651,98 0.308,99 0.377,100 15.446,101 3.79,102 33.978,103 4.203,104 26,105 33,106 0.35,107 0.732,108 0.787,109 0.855,110 0.867,111 0.867,112 3.059,113 0.998,114 -4.99,115 -4.89,116 -4.58,119 43.3,120 1,139 3,140 3,141 2,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 5,169 1,170 3,172 3,173 3,175 1,178 9,180 1,182 2,187 1,189 13,191 1,193 4,195 1,196 1,197 1,198 4,200 2,201 8,204 4,205 1,207 3,212 2,215 4,218 2,221 3,226 4,229 4,231 4,234 2,239 3,241 2,243 3,246 2,251 2,256 2,260 1,265 2,270 2,273 442,274 13.016,275 13.016,276 13.016,277 13.016,278 13.016,279 10.971,280 10.917,281 7.298,282 13.586,283 10.807,284 10.807,285 10.807,286 10.807,287 10.807,288 7.766,289 11.795,290 3.449,291 11.922,292 3.044,293 1.009,294 0.717,295 0.358,296 0.292,297 0.292,298 3.729,299 2,301 1,302 1,303 330,304 2.121,306 37.235,307 106.228,310 73.173,314 1.175,315 19.187,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 42.667,327 155,328 4.73,329 3.383,330 6.938,331 4.245,332 3.299,333 4.701,335 11.64,336 3.123,337 4.247,338 3.274,339 6.207,340 3.777,341 2.852,342 3.919,344 9.136,345 2.643,346 3.89,347 2.696,348 5.84,349 3.418,350 2.528,351 3.379,353 7.814,354 2.183,355 3.516,356 2.278,357 5.203,358 3.063,359 2.139,360 2.889,362 6.252,363 1.924,364 3.369,365 2.14,366 5.055,367 2.821,368 1.939,369 2.733,371 5.796,372 1.692,373 2.95,374 2.008,375 4.742,376 2.519,377 1.572,378 2.118,380 4.608,381 1.462,382 2.819,383 1.774,384 4.088,385 2.306,386 1.414,387 1.947,389 3.526,390 1.198,391 2.406,392 1.115,393 4.005,394 1.858,395 0.994,396 1.37,398 2.867,399 0.828,400 1.394,401 0.651,402 2.863,403 0.896,404 0.122,405 0.148,407 0.273,408 0.075,409 1.145,410 0.102,411 2.721,412 0.736,413 -0.174,414 -0.214,415 -0.445,416 -0.16,417 0.972,418 -0.081,419 2.485,420 0.505,421 -0.367,422 -0.477,423 -0.997,424 -0.302,425 0.741,426 -0.268,427 2.375,428 0.285,429 -0.591,430 -0.703,431 -1.454,432 -0.453,433 0.5,434 -0.421,435 2.224,436 0.14,437 -0.756,438 -0.949,439 -1.906,440 -0.599,441 0.126,442 -0.943,443 1.887,444 -0.323,445 -1.187,446 -1.5,448 -3.218,449 -0.947,450 -0.027,451 -1.129,452 1.51,453 -0.465,454 -1.358,455 -1.828,457 -3.901,458 -1.12,459 10.362,460 0.518,461 0.703,462 0.035,463 28,464 1.4,465 15,466 0.75,467 13,468 0.65,469 16.03,470 0.801,471 20.238,472 0.675,473 17.216,474 0.861,475 5.224,476 0.261,477 4.245,478 0.212,479 0.263,481 0.434,485 0.873,486 0.915,487 0.562,488 0.563,489 1.109,490 0.589,491 0.453,492 0.716,493 0.563,494 0.646,495 0.404,496 0.597,497 1.023,498 0.994,499 0.876,500 0.823,501 0.895,502 0.841,503 0.783,504 1.411,505 1.274,506 1.644,507 0.729,508 1.34,509 1.142,510 1.082,511 1.078,512 1.238,513 1.263,514 1.258,515 0.639,516 1.006,517 0.465,518 0.666,519 0.585,520 0.824,521 1.527,522 1.096,523 1.166,524 0.931,525 1.607,526 1.14,527 1.219,528 0.828,529 1.172,530 0.888,531 1.338,532 0.952,533 5,535 2.889,536 2.354,537 1.548,538 0.789,539 0.435,540 0.278,541 0.172,542 0.06,543 3369,544 13276,545 2.018,546 33.3,547 3,548 3,551 4,555 1.621,556 1.818,557 2.952,558 2.026,560 1,564 55.882,565 1.863,566 3.898,567 4.19,568 4.548,569 4.615,570 4.615,571 2.423,572 4.222,573 4.295,574 3.041,575 577.735,576 7.354,577 5670.04,579 1,580 1,581 1,582 147.207,583 1.539,584 4.214,585 0.227,587 0.088,588 0.069,589 0.053,590 0.038,591 0.022,592 0.019,593 0.017,594 0.012,595 0.545,596 0.17,597 1,598 0.716,599 86.527,600 -0.207,601 0.169,602 -0.017,603 0.181,604 -0.345,605 0.135,606 0.249,607 0.311,608 0.146,609 0.228,610 0.258,611 0.249,612 -0.119,613 0.028,614 0.027,615 0.095,616 -0.084,617 -0.004,618 -0.006,619 -0.37,620 -0.277,621 -0.498,622 0.072,623 -0.401,624 -0.323,625 -0.007,626 -0.222,627 -0.191,628 -0.385,629 -0.306,630 0.169,631 -0.168,632 0.372,633 0.266,634 0.224,635 0.303,636 -0.288,637 -0.159,638 -0.162,639 -0.112,640 -0.327,641 -0.201,642 0.173,643 0.014,644 0.099,645 0.098,646 0.086,647 0.198,648 1.489,649 1.96,650 0.75,651 12.51,652 1.022,653 1.115,654 3.756,655 14.11,656 0.781,657 3.135,658 3.526,659 3.829,660 4.127,661 4.331,662 4.466,663 4.522,664 4.605,665 4.605,666 4.466,667 4.616,668 0.734,669 325.24,670 3.135,671 4.71,672 5.587,673 6.5,674 7.396,675 8.314,676 9.217,677 10.138,678 11.045,679 11.967,680 13.3,684 2,690 2,694 2,695 3,696 2,699 1,700 7,702 16,711 2,717 2,718 30,719 16,720 1,721 22,723 32,724 13,725 12,726 3,727 3,729 3,730 4,731 2,734 1,741 12,742 1,754 1,757 10,758 4,759 4,760 7,761 3,764 4,769 0.667,776 1,780 1,781 2,784 1,802 2,804 1,806 1,807 2,810 20,811 2,825 1,828 2,836 11,837 5.769,838 4.25,839 1.591,840 3.167,841 1.466,842 1.04,843 3.48,844 9.959,845 3.434,846 4.171,847 4.841,848 5.509,849 6.075,850 6.498,851 6.912,852 7.365,853 7.662,854 7.879,855 1,856 34,857 7.3,859 3.141,860 7.853,861 13.679,863 11.31,865 2.353,866 47.056,870 70.627,871 90.379,872 99.365,873 78.297,876 31.278,877 59.102,878 148.924,879 99.365,880 8.825,882 94.223,883 33.888,884 15.945,885 5.585,886 101.904,887 78.297,888 70.627,889 158.467,891 109.575,893 70.627,897 11.041,898 113.855,899 111.868,900 31.278,901 70.627,902 99.365,903 168.677,906 70.627,907 53.125,908 37.254,910 177.663,911 70.627,912 99.365,913 168.677,915 0.605,916 0.362,917 0.193,918 0.103,919 18,920 9,921 0.031,922 1,923 1,924 1.133,925 3.093,926 158.388,927 0.133,928 15,929 86.439,930 1,933 13.86,934 5.022,935 2.355,936 1.61,937 99.365,938 5.514,939 8.235,942 1.507,943 4.63,945 65.794,946 338.669,947 30,956 30.665,957 33.462,958 0.38,959 0.794,960 0.854,961 0.927,962 0.941,963 0.941,964 4.691,965 0.994,966 5.624,967 3.526,968 4.205,969 4.856,971 6.503,972 4.021,973 5.969,974 0.122,975 7.235,976 2.867,977 4.007,978 4.913,980 7.516,981 3.714,982 7.324,983 -0.174,984 8.941,985 0.273,986 5.872,987 7.219,989 10.65,990 5.56,991 8.716,992 -0.367,993 10.7,994 -0.445,995 6.431,996 8.055,998 12.476,999 6.026,1000 10.136,1001 -0.591,1002 12.494,1003 -0.997,1004 7.842,1005 9.887,1007 15.157,1008 7.42,1009 11.578,1010 -0.756,1011 14.311,1012 -1.454,1013 8.742,1014 11.093,1016 17.338,1017 8.246,1018 13.038,1019 -1.187,1020 16.147,1021 -1.906,1022 9.989,1023 12.739,1025 19.862,1026 9.467,1027 3.299,1028 -1.358,1029 17.999,1030 -3.218,1031 11.042,1032 14.123,1034 22.196,1035 10.458,1036 2.852,1037 11.64,1038 19.863,1039 -3.901,1040 12.234,1041 15.697,1043 24.667,1044 11.615,1045 2.528,1046 9.136,1047 21.737,1048 4.701,1049 13.355,1050 17.164,1052 27.068,1053 12.681,1054 2.139,1055 7.814,1056 23.62,1057 3.919,1058 14.532,1059 18.712,1061 29.522,1062 13.815,1063 1.939,1064 6.252,1065 25.51,1066 3.379,1067 15.684,1068 20.218,1070 31.951,1071 14.915,1072 1.572,1073 5.796,1074 27.407,1075 2.889,1076 16.86,1077 21.759,1079 34.402,1080 16.045,1081 1.414,1082 4.608,1083 29.309,1084 2.733,1085 18.028,1086 23.284,1088 36.844,1089 17.161,1090 3366,1091 6787,1092 14.046,1093 23.432,1094 34.097,1095 34.878,1096 36.156,1097 33.77,1098 33.719,1099 46.406,1101 103.821,1102 30.257,1103 5.39,1104 5.383,1105 6.235,1106 5.378,1107 5.299,1108 7.701,1110 19.07,1111 5.123,1112 11.821,1113 1.55,1114 1.585,1115 1.643,1116 1.535,1117 1.533,1118 2.109,1120 4.719,1121 1.375,1122 4.098,1123 4.112,1124 4.354,1125 4.098,1126 5.304,1127 4.054,1128 3.843,1129 3.864,1130 4.078,1131 3.793,1132 5.041,1133 3.782,1134 3.407,1135 3.474,1136 3.523,1137 3.227,1138 4.981,1139 3.239,1140 3.079,1141 3.189,1142 3.4,1143 2.947,1144 4.617,1145 2.888,1146 2.988,1147 3.078,1148 3.19,1149 2.798,1150 4.49,1151 2.767,1152 2.879,1153 2.922,1154 3.115,1155 2.728,1156 4.241,1157 2.715,1158 2.814,1159 2.855,1160 2.816,1161 2.701,1162 4.002,1163 2.692,1164 2.366,1165 2.49,1166 2.494,1167 2.052,1168 3.755,1169 2.031,1170 0.215,1171 0.154,1172 0.315,1173 0.193,1174 0.15,1175 4.73,1176 0.214,1177 3.383,1179 6.938,1180 0.529,1181 4.245,1182 0.142,1183 3.299,1184 4.701,1186 11.64,1187 3.123,1188 1.91,1189 1.898,1190 1.962,1191 1.991,1192 1.14,1193 1.981,1194 1.809,1195 1.781,1196 1.847,1197 1.927,1198 0.98,1199 1.93,1200 1.443,1201 1.422,1202 1.594,1203 1.587,1204 0.678,1205 1.615,1206 1.017,1207 0.973,1208 1.266,1209 1.351,1210 0.316,1211 1.342,1212 0.945,1213 0.825,1214 1.12,1215 1.149,1216 0.157,1217 1.195,1218 0.868,1219 0.824,1220 1.032,1221 1.032,1223 1.069,1224 0.772,1225 0.717,1226 0.951,1227 0.979,1229 1.016,1230 0.462,1231 0.388,1232 0.605,1233 0.615,1235 0.675,1236 3.807,1238 5.176,1239 2.398,1240 6.737,1241 4.844,1242 8.388,1243 7.05,1244 10.085,1246 1.979,1247 12.016,1250 11.564,1262 22.035,1263 55.882,1264 116.942,1265 125.697,1266 136.452,1267 138.452,1268 138.452,1269 27.832,1270 6.792,1271 77.82,1272 106.06,1273 17,1274 12.477,1275 4.087,1276 3.17,1277 29.848,1278 55,1279 54,1280 0.28,1281 147.773,1282 238.13,1283 352.326,1284 6611,1285 6.7,1286 14.439,1287 0.722,1288 0.639,1289 15.792,1290 12.774,1291 9.469,1292 0.43,1293 0.333,1294 5.828,1295 8.272,1296 5.509,1297 4.546,1298 10.455,1299 7.318,1300 9.178,1301 0.278,1302 0.186,1303 10.535,1304 6.146,1305 7.782,1306 0.173,1307 0.111,1308 9.556,1309 4.991,1310 6.677,1311 0.109,1312 0.059,1313 8.119,1314 3.59,1315 4.944,1316 0.066,1317 0.032,1318 6.282,1319 2.371,1320 0.418,1321 68.643,1322 0.267,1323 19.367,1324 0.829,1325 110,1326 323.182,1327 173.601,1328 404.384,1329 538.85,1330 374,1331 133,1332 344.792,1333 190.946,1334 388.551,1335 575.57,1336 365,1337 5.337}
{0 CHEMBL108006,1 1.559,2 6.353,3 2.835,4 8.037,5 74.13,6 7.527,7 0.526,8 3.605,9 3.745,10 3.248,11 3.201,12 4.623,13 3.13,14 4.156,15 4.343,16 3.676,17 3.644,18 5.132,19 3.525,20 4.438,21 4.674,22 3.735,23 3.808,24 5.266,25 3.661,26 4.493,27 4.716,28 3.768,29 3.831,30 5.378,31 3.65,32 4.433,33 4.696,34 3.251,35 3.604,36 5.255,37 3.386,38 4.148,39 4.444,40 2.829,41 3.17,42 4.985,43 2.995,44 3.816,45 4.122,46 2.348,47 2.76,48 4.741,49 2.6,50 3.574,51 3.941,52 1.624,53 2.33,54 4.313,55 2.061,56 0.047,57 0.544,58 7.869,59 3.105,60 7.094,61 4.168,62 0.161,63 0.887,64 15.418,65 6.124,66 17.556,67 8.09,68 0.137,69 1.08,70 22.691,71 8.078,72 14.715,73 10.595,74 0.181,75 1.154,76 26.559,77 8.895,78 20.256,79 11.613,80 0.217,81 0.996,82 27.109,83 7.918,84 22.911,85 10.052,86 0.171,87 0.698,88 16.93,89 4.669,90 18.581,91 6.861,92 0.168,93 0.489,94 10.962,95 2.532,96 20.232,97 4.201,98 0.117,99 0.322,100 9.483,101 2.478,102 14.828,103 3.881,104 5,105 27,106 0.293,107 0.578,108 0.697,109 0.8,110 0.834,111 0.857,112 2.911,113 1.09,114 -3.91,115 -3.86,116 -3.67,119 36.4,121 6,140 2,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 7,169 1,170 3,172 3,173 3,175 1,178 10,180 1,182 2,187 1,189 10,191 1,193 4,195 1,196 1,197 1,198 4,200 2,201 7,204 4,205 1,207 4,212 3,215 2,218 3,221 4,226 4,231 4,234 1,239 3,243 3,251 2,256 2,273 239,274 11.569,275 11.569,276 11.569,277 11.569,278 11.569,279 10.341,280 12.033,281 6.899,282 11.916,283 9.416,284 9.416,285 9.416,286 9.416,287 9.416,288 7.466,289 11.497,290 3.315,291 10.028,292 3.485,293 1.97,294 1.333,295 0.788,296 0.606,297 0.485,298 3.59,300 1,301 1,302 1,303 234,304 1.732,306 18.439,307 27.235,309 38.075,310 38.425,312 49.145,314 0.962,315 12.07,317 1,318 1,319 0.83,320 1,321 1,322 0.5,323 1,324 1,325 0.9,326 36,327 108,328 4.71,329 3.385,330 6.922,331 4.223,332 3.276,333 4.682,335 11.66,336 3.107,337 3.867,338 2.687,339 5.776,340 3.448,341 2.516,342 3.343,344 7.777,345 2.342,346 3.448,347 2.216,348 5.163,349 2.982,350 2.066,351 2.823,353 6.127,354 1.897,355 3.269,356 1.995,357 4.966,358 2.834,359 1.917,360 2.538,362 5.595,363 1.743,364 2.761,365 1.854,366 4.427,367 2.622,368 1.656,369 1.794,371 4.14,372 1.576,373 2.7,374 1.665,375 3.791,376 2.554,377 1.581,378 1.713,380 3.477,381 1.533,382 2.084,383 0.899,384 3.441,385 1.776,386 0.861,387 1.017,389 2.092,390 0.772,391 1.361,392 0.323,393 2.78,394 1.228,395 0.251,396 0.269,398 0.561,399 0.243,400 1.078,401 0.103,402 2.647,403 0.84,404 -0.122,405 -0.136,407 -0.315,408 -0.117,409 1.032,410 -0.197,411 2.585,412 0.61,413 -0.282,414 -0.371,415 -0.763,416 -0.251,417 0.676,418 -0.342,419 2.371,420 0.339,421 -0.56,422 -0.656,423 -1.325,424 -0.503,425 0.161,426 -0.97,427 2,428 -0.184,429 -1.096,430 -1.281,431 -2.734,432 -0.96,433 -0.044,434 -1.141,435 1.461,436 -0.301,437 -1.274,438 -1.394,439 -3.077,440 -1.216,441 -0.233,442 -1.331,443 1.452,444 -0.47,445 -1.44,446 -1.767,448 -3.761,449 -1.395,450 -0.291,451 -1.394,452 1.302,453 -0.6,454 -1.523,455 -1.959,457 -4.2,458 -1.406,459 8.433,460 0.496,461 0.418,462 0.025,463 20,464 1.176,465 9,466 0.529,467 11,468 0.647,469 15.291,470 0.899,471 18.567,472 0.563,473 10.021,474 0.589,475 3.115,476 0.183,477 5.139,478 0.302,479 0.095,481 0.356,485 1.125,486 1.091,487 0.799,488 0.826,489 1.23,490 0.868,491 0.309,492 0.92,493 0.741,494 0.947,495 0.266,496 0.955,497 0.814,498 0.964,499 0.888,500 0.907,501 0.633,502 0.863,503 0.478,504 1.293,505 1.156,506 1.392,507 0.478,508 1.209,509 1.329,510 1.167,511 1.594,512 1.411,513 1.217,514 1.236,515 1.399,516 1.066,517 0.999,518 0.949,519 1.346,520 1.039,521 2.059,522 0.857,523 0.949,524 0.694,525 2.223,526 1.025,527 1.286,528 0.653,529 0.675,530 0.566,531 1.629,532 0.8,533 3,535 1.556,536 1.917,537 1.054,538 0.445,539 0.172,540 0.105,541 0.031,543 2151,544 4912,545 2.127,546 48.5,547 10,551 4,552 2,555 1.576,556 2,557 2.699,558 2.12,560 1,562 1,564 51.445,565 1.559,566 3.074,567 3.711,568 4.257,569 4.438,570 4.56,571 1.971,572 3.735,573 4.063,574 2.736,575 372.146,576 6.9,577 3229.17,578 1,579 1,581 1,582 166.465,583 1.379,584 4.023,585 0.158,587 0.058,588 0.066,589 0.041,590 0.028,591 0.016,592 0.018,593 0.016,595 0.399,596 0.5,597 1,598 0.604,599 67.854,600 -0.178,601 0.116,602 0.053,603 0.162,604 -0.158,605 0.118,606 0.463,607 0.164,608 0.182,609 0.084,610 0.404,611 0.063,612 -0.006,613 0.037,614 0.113,615 0.136,616 0.052,617 0.15,618 0.266,619 -0.278,620 -0.004,621 -0.235,622 0.25,623 -0.17,624 -0.275,625 -0.165,626 -0.368,627 -0.288,628 -0.22,629 -0.254,630 -0.22,631 -0.16,632 -0.154,633 -0.136,634 -0.224,635 -0.138,636 -0.543,637 0.073,638 -0.261,639 -0.057,640 -0.537,641 -0.211,642 -0.155,643 0.083,644 0.058,645 0.128,646 -0.225,647 0.084,648 1.385,649 1.991,650 0.882,651 8.768,652 0.993,653 1.133,654 2.677,655 7.166,656 0.674,657 2.996,658 3.332,659 3.638,660 3.989,661 4.19,662 4.344,663 4.419,664 4.419,665 4.357,666 4.248,667 3.856,668 0.619,669 248.39,670 2.996,671 4.533,672 5.398,673 6.301,674 7.191,675 8.105,676 9.005,677 9.924,678 10.83,679 11.75,680 12.1,684 2,690 2,694 2,696 2,699 1,700 4,702 10,711 2,718 33,719 10,721 19,723 35,724 12,725 6,729 3,730 6,736 6,739 6,741 6,742 6,754 1,757 16,758 4,759 4,760 5,761 1,764 4,769 0.333,776 1,780 1,781 1,783 1,784 1,786 1,802 1,804 1,810 17,811 2,816 6,825 1,836 8.5,837 5.733,838 3.694,839 2.2,840 2.137,841 1.321,842 1.037,843 2.907,844 8.791,845 3.219,846 3.876,847 4.537,848 5.229,849 5.741,850 6.131,851 6.445,852 6.756,853 6.684,854 6.516,855 0.6,856 29,857 6.288,859 2.698,860 7.549,861 12.44,863 10.706,865 2.049,866 34.833,867 0.004,870 141.253,871 58.146,872 99.365,876 31.278,877 26.868,878 141.253,879 99.365,881 15.207,882 65.794,883 33.888,884 5.759,885 5.585,886 172.531,888 141.253,889 126.234,891 31.278,893 141.253,897 17.423,898 75.239,899 33.571,900 31.278,901 141.253,902 99.365,903 58.146,906 141.253,907 58.146,910 99.365,911 141.253,912 99.365,913 58.146,915 0.58,916 0.341,917 0.206,918 0.115,919 15,920 6,923 2,924 1.267,925 2.887,926 126.729,927 0.267,928 15,929 69.487,930 1,933 11.209,934 4.409,935 1.99,936 2.017,937 99.365,939 8.395,942 1.74,943 3.642,945 65.794,946 298.764,947 24,956 32.785,957 37.404,958 0.309,959 0.609,960 0.736,961 0.844,962 0.88,963 0.904,964 4.46,965 0.251,966 5.389,967 2.092,968 4.007,969 4.559,971 6.24,972 3.883,973 5.679,974 -0.122,975 6.963,976 0.561,977 3.611,978 4.559,980 7.213,981 3.408,982 7.012,983 -0.282,984 8.644,985 -0.315,986 5.617,987 6.886,989 10.39,990 5.38,991 8.388,992 -0.56,993 10.389,994 -0.763,995 6.066,996 7.755,998 12.264,999 5.757,1000 9.803,1001 -1.096,1002 12.179,1003 -1.325,1004 7.554,1005 9.586,1007 14.959,1008 7.214,1009 11.246,1010 -1.274,1011 14,1012 -2.734,1013 8.417,1014 10.845,1016 17.198,1017 8.013,1018 12.712,1019 -1.44,1020 15.844,1021 -3.077,1022 9.706,1023 12.493,1025 19.735,1026 9.265,1027 3.276,1028 -1.523,1029 17.707,1030 -3.761,1031 10.756,1032 13.92,1034 22.112,1035 10.257,1036 2.516,1037 11.66,1038 19.585,1039 -4.2,1040 11.973,1041 15.501,1043 24.595,1044 11.432,1045 2.066,1046 7.777,1047 21.474,1048 4.682,1049 13.103,1050 16.998,1052 27.022,1053 12.506,1054 1.917,1055 6.127,1056 23.372,1057 3.343,1058 14.295,1059 18.554,1061 29.487,1062 13.652,1063 1.656,1064 5.595,1065 25.277,1066 2.823,1067 15.457,1068 20.078,1070 31.933,1071 14.76,1072 1.581,1073 4.14,1074 27.188,1075 2.538,1076 16.643,1077 21.626,1079 34.392,1080 15.897,1081 0.861,1082 3.477,1083 29.104,1084 1.794,1085 17.819,1086 23.162,1088 36.844,1089 17.019,1090 2122,1091 3336,1092 12.83,1093 22.239,1094 28.189,1095 28.23,1096 29.183,1097 28.346,1098 28.248,1099 36.358,1101 82.861,1102 26.424,1103 5.67,1104 5.385,1105 6.747,1106 5.349,1107 5.276,1108 7.682,1110 18.775,1111 5.107,1112 6.554,1113 1.484,1114 1.486,1115 1.536,1116 1.492,1117 1.487,1118 1.914,1120 4.361,1121 1.391,1122 4.093,1123 4.114,1124 4.34,1125 4.083,1126 5.301,1127 4.037,1128 3.716,1129 3.782,1130 3.588,1131 3.58,1132 4.981,1133 3.568,1134 3.383,1135 3.454,1136 3.47,1137 3.269,1138 4.608,1139 3.233,1140 3.349,1141 3.419,1142 3.188,1143 3.169,1144 4.199,1145 3.173,1146 3.065,1147 3.187,1148 3,1149 2.791,1150 3.907,1151 2.787,1152 2.846,1153 2.94,1154 2.754,1155 2.675,1156 3.78,1157 2.641,1158 2.465,1159 2.589,1160 2.36,1161 2.237,1162 3.662,1163 2.191,1164 2.369,1165 2.51,1166 2.102,1167 2.031,1168 3.106,1169 2.024,1170 0.248,1171 0.178,1172 0.364,1173 0.222,1174 0.172,1175 4.71,1176 0.246,1177 3.385,1179 6.922,1180 0.614,1181 4.223,1182 0.164,1183 3.276,1184 4.682,1186 11.66,1187 3.107,1188 1.886,1189 1.848,1190 2.062,1191 2.016,1192 1.425,1193 2.025,1194 1.754,1195 1.718,1196 1.822,1197 1.914,1198 1.081,1199 1.912,1200 1.41,1201 1.366,1202 1.687,1203 1.589,1204 0.961,1205 1.631,1206 1.363,1207 1.301,1208 1.518,1209 1.501,1210 0.765,1211 1.534,1212 0.966,1213 0.882,1214 1.261,1215 1.337,1216 0.225,1217 1.334,1218 0.872,1219 0.78,1220 1.065,1221 1.139,1222 0.168,1223 1.163,1224 0.517,1225 0.41,1226 0.961,1227 0.794,1229 0.863,1230 0.457,1231 0.321,1232 0.852,1233 0.751,1235 0.825,1236 3.664,1238 4.99,1239 2.398,1240 6.506,1241 4.844,1242 8.13,1243 7.05,1244 9.817,1250 11.64,1252 7.4,1262 20.434,1263 51.445,1264 101.445,1265 122.465,1266 140.465,1267 146.465,1268 150.465,1269 19.528,1270 6.654,1271 77.82,1272 106.06,1273 19,1274 12.261,1275 3.459,1276 2.585,1277 23.52,1278 41,1279 34,1280 0.315,1281 130.297,1282 209.23,1283 309.684,1284 5901,1286 11.828,1287 0.696,1288 0.619,1289 12.182,1290 10.517,1291 8.254,1292 0.434,1293 0.363,1294 6.11,1295 7.611,1296 5.925,1297 4.896,1298 8.662,1299 6.904,1300 7.542,1301 0.279,1302 0.209,1303 8.185,1304 5.649,1305 6.248,1306 0.169,1307 0.123,1308 7.024,1309 4.546,1310 5.83,1311 0.11,1312 0.072,1313 6.853,1314 3.832,1315 4.485,1316 0.069,1317 0.043,1318 5.377,1319 2.798,1320 0.457,1321 55,1322 0.279,1323 16.503,1324 0.981,1325 92,1326 216.775,1327 124.562,1328 238.839,1329 337.66,1330 224,1331 110,1332 246.067,1333 139.046,1334 265.965,1335 395.92,1336 252,1337 5.721}
{0 CHEMBL113816,1 1.591,2 10.2,3 2.668,4 7.118,5 100.428,6 7.379,7 0.63,8 3.934,9 4.064,10 3.486,11 3.397,12 5.104,13 3.4,14 4.423,15 4.608,16 3.822,17 3.751,18 5.542,19 3.742,20 4.555,21 4.718,22 3.894,23 3.925,24 5.639,25 3.888,26 4.731,27 4.946,28 3.852,29 3.976,30 5.768,31 3.886,32 4.805,33 5.054,34 3.729,35 3.944,36 5.751,37 3.826,38 4.708,39 4.95,40 3.601,41 3.839,42 5.624,43 3.722,44 4.681,45 4.958,46 3.478,47 3.725,48 5.594,49 3.613,50 4.478,51 4.731,52 3.415,53 3.605,54 5.41,55 3.495,56 0.059,57 0.697,58 9.752,59 3.686,60 11.332,61 5.05,62 0.334,63 1.032,64 18.039,65 6.069,66 29.099,67 8.234,68 0.204,69 1.227,70 19.363,71 6.916,72 19.107,73 9.637,74 0.31,75 1.344,76 24.483,77 8.878,78 34.701,79 12.883,80 0.506,81 1.32,82 28.324,83 9.456,84 43.031,85 13.742,86 0.305,87 1.187,88 25.427,89 8.5,90 33.889,91 12.383,92 0.482,93 1.097,94 26.257,95 7.34,96 45.417,97 11.079,98 0.221,99 0.921,100 20.46,101 6.993,102 25.932,103 10.191,104 30,105 38,106 0.273,107 0.624,108 0.748,109 0.814,110 0.814,111 0.814,112 3.267,113 0.862,114 -3.71,115 -3.68,116 -3.5,119 39.1,124 3,125 1,139 6,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 10,172 3,173 3,175 1,178 5,180 1,182 9,187 1,189 3,191 1,192 1,193 3,195 1,196 1,197 1,198 3,200 2,201 2,204 3,205 1,206 4,207 2,209 1,210 1,212 3,215 6,218 3,229 4,234 6,236 1,237 1,239 1,241 2,243 1,246 8,251 2,254 2,256 2,265 1,270 1,273 868,274 16.721,275 16.721,276 16.721,277 16.721,278 16.721,279 14.713,280 25.178,281 9.658,282 17.358,283 13.204,284 13.204,285 13.204,286 13.204,287 13.204,288 10.001,289 36.309,290 4.461,291 14.039,292 3.933,293 1.893,294 1.169,295 0.788,296 0.788,297 0.788,298 3.946,300 1,301 1,302 1,303 538,304 3.162,307 215.691,311 112.239,314 1.568,315 19.188,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54.5,327 255,328 4.55,329 3.218,330 6.52,331 4.068,332 3.102,333 4.495,334 0.916,335 10.238,336 3.001,337 4.209,338 3.086,339 6.019,340 3.817,341 2.855,342 3.844,343 0.86,344 8.68,345 2.747,346 3.918,347 2.905,348 5.753,349 3.58,350 2.643,351 3.332,352 0.86,353 8.089,354 2.474,355 3.489,356 2.555,357 5.067,358 3.073,359 2.139,360 2.811,361 0.172,362 6.073,363 1.999,364 3.423,365 2.368,366 5.039,367 2.972,368 2.061,369 2.808,371 5.818,372 1.894,373 3.355,374 2.189,375 4.974,376 2.959,377 2.013,378 2.604,380 5.805,381 1.867,382 3.31,383 2.056,384 4.969,385 2.905,386 1.951,387 2.575,389 5.775,390 1.853,391 2.523,392 1.411,393 4.061,394 2.184,395 1.232,396 1.529,398 3.316,399 1.169,400 2.415,401 1.09,402 3.706,403 1.973,404 1.001,405 1.387,407 2.565,408 0.971,409 1.593,410 1.056,411 2.896,412 1.328,413 0.481,414 0.522,415 0.683,416 0.405,417 1.576,418 0.916,419 2.842,420 1.27,421 0.396,422 0.452,423 0.602,424 0.342,425 1.38,426 0.187,427 2.768,428 0.966,429 0.022,430 0.029,431 0.059,432 0.021,433 1.017,434 0.014,435 2.667,436 0.723,437 -0.24,438 -0.285,439 -0.643,440 -0.231,441 0.956,442 -0.298,443 2.514,444 0.477,445 -0.449,446 -0.578,448 -1.158,449 -0.413,450 0.65,451 -0.339,452 2.278,453 0.24,454 -0.694,455 -0.878,457 -1.599,458 -0.637,459 11.667,460 0.467,461 0.677,462 0.027,463 35.25,464 1.41,465 18.5,466 0.74,467 16.75,468 0.67,469 17.689,470 0.708,471 27.333,472 0.594,473 26.462,474 1.058,475 7.285,476 0.291,477 4.709,478 0.188,479 0.197,481 0.377,485 1.031,486 1.392,487 0.827,488 1.135,489 1.218,490 0.963,491 1.243,492 0.787,493 0.791,494 0.704,495 0.679,496 0.685,497 1.161,498 1.306,499 1.08,500 1.163,501 0.981,502 1.114,503 0.599,504 1.24,505 0.994,506 1.28,507 0.667,508 1.214,509 0.852,510 0.892,511 1.039,512 1.031,513 0.973,514 1.072,515 1.03,516 1.139,517 1.09,518 1.173,519 0.911,520 1.157,521 1.281,522 0.646,523 1.089,524 0.739,525 1.154,526 0.848,527 0.894,528 1.063,529 0.886,530 1.066,531 0.687,532 1.002,533 6.5,534 0.136,535 2.444,536 2.125,537 1.831,538 0.903,539 0.487,540 0.37,541 0.148,542 0.257,543 6847,544 19251,545 2.015,546 45.7,548 17,551 4,555 1.68,556 1.852,557 3.331,558 1.776,559 1,560 1,564 73.177,565 1.591,566 3.631,567 4.355,568 4.735,569 4.735,570 4.735,571 2.759,572 4.134,573 4.618,574 3.48,575 1043.94,576 7.982,577 12643.7,579 1,581 1,582 254.084,583 1.516,584 4.555,585 0.241,586 0.008,587 0.064,588 0.053,589 0.051,590 0.029,591 0.018,592 0.015,593 0.006,594 0.014,595 0.5,596 0.17,597 1,598 0.942,599 120.602,600 -0.109,601 -0.157,602 0.039,603 -0.063,604 -0.243,605 0.01,606 -0.046,607 0.312,608 0.166,609 0.303,610 0.2,611 0.269,612 -0.209,613 -0.146,614 -0.185,615 -0.119,616 -0.17,617 -0.143,618 0.142,619 -0.197,620 -0.078,621 -0.246,622 0.119,623 -0.207,624 0.065,625 0.062,626 -0.067,627 -0.036,628 -0.058,629 -0.076,630 -0.107,631 -0.198,632 -0.123,633 -0.165,634 -0.087,635 -0.153,636 -0.202,637 0.276,638 -0.064,639 0.186,640 -0.172,641 0.109,642 -0.008,643 -0.165,644 0.091,645 -0.045,646 0.121,647 0.024,648 1.491,649 1.972,650 0.64,651 20.464,652 1.005,653 1.135,654 2.482,655 6.161,656 0.653,657 3.332,658 3.664,659 3.912,660 4.174,661 4.407,662 4.454,663 4.489,664 4.533,665 4.575,666 4.615,667 6.093,668 0.625,669 339.44,670 3.332,671 4.875,672 5.72,673 6.603,674 7.465,675 8.35,676 9.217,677 10.103,678 10.973,679 11.859,680 10.9,684 2,686 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,714 1,716 2,718 46,719 17,720 2,721 27,723 48,724 18,725 14,726 6,727 6,729 3,730 4,741 14,742 4,753 1,754 1,757 21,758 7,759 4,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 3,810 25,811 2,816 1,818 2,821 1,829 4.3,834 2,836 13.5,837 9.1,838 5.583,839 2.328,840 3.324,841 1.465,842 0.98,843 5.039,844 10.47,845 3.597,846 4.248,847 4.854,848 5.469,849 6.052,850 6.319,851 6.621,852 6.944,853 7.312,854 7.42,855 0.857,856 40,857 9.14,859 3.741,860 7.733,861 17.308,863 13.582,865 2.233,866 55.833,869 1,870 200.109,871 114.499,872 102.49,874 22,877 114.499,878 222.109,879 102.49,880 30.162,881 2.106,882 122.652,883 33.571,884 46.27,885 4.227,886 200.109,888 200.109,889 216.989,890 22,893 200.109,894 22,897 6.149,898 177.269,899 33.571,901 200.109,902 124.49,903 114.499,906 200.109,907 27.479,908 90.144,910 121.365,911 200.109,912 124.49,913 114.499,915 0.581,916 0.344,917 0.186,918 0.106,919 18,920 9,921 0.104,922 5,923 1,924 1.125,925 3.62,926 203.98,927 0.125,928 16,929 108.096,933 17.421,934 7.231,935 3.82,936 1.506,937 124.49,938 11.646,939 8.226,943 4.133,945 65.794,946 439.097,947 35.5,956 46.232,957 52.232,958 0.288,959 0.657,960 0.788,961 0.857,962 0.857,963 0.857,964 4.83,965 1.232,966 5.72,967 5.775,968 4.344,969 4.934,970 1.698,971 6.526,972 4.236,973 6.06,974 1.001,975 7.28,976 3.316,977 4.007,978 4.856,979 0.325,980 7.38,981 3.85,982 7.381,983 0.481,984 8.93,985 2.565,986 5.943,987 7.207,988 1.422,989 10.45,990 5.751,991 8.735,992 0.396,993 10.63,994 0.683,995 6.347,996 7.888,997 0.393,998 12.063,999 6.107,1000 10.115,1001 0.022,1002 12.361,1003 0.602,1004 7.79,1005 9.758,1006 1.2,1007 14.665,1008 7.528,1009 11.514,1010 -0.24,1011 14.114,1012 0.059,1013 8.55,1014 10.826,1015 0.384,1016 16.637,1017 8.244,1018 12.928,1019 -0.449,1020 15.884,1021 -0.643,1022 9.791,1023 12.486,1024 1.01,1025 19.057,1026 9.464,1027 3.102,1028 -0.694,1029 17.667,1030 -1.158,1031 10.728,1032 13.762,1033 0.351,1034 21.206,1035 10.363,1036 2.855,1037 10.238,1038 19.461,1039 -1.599,1040 11.885,1041 15.325,1042 0.845,1043 23.554,1044 11.496,1045 2.643,1046 8.68,1047 21.264,1048 4.495,1049 12.91,1050 16.709,1051 0.312,1052 25.787,1053 12.485,1054 2.139,1055 8.089,1056 23.076,1057 3.844,1058 14.033,1059 18.23,1060 0.702,1061 28.11,1062 13.583,1063 2.061,1064 6.073,1065 24.895,1066 3.332,1067 15.101,1068 19.669,1069 0.273,1070 30.384,1071 14.618,1072 2.013,1073 5.818,1074 26.72,1075 2.811,1076 16.213,1077 21.173,1078 0.579,1079 32.7,1080 15.702,1081 1.951,1082 5.805,1083 28.551,1084 2.808,1085 17.303,1086 22.641,1087 0.236,1088 34.995,1089 16.76,1090 6751,1091 11431,1092 17.512,1093 30.029,1094 39.925,1095 40.715,1096 41.763,1097 39.702,1098 39.795,1099 52.775,1100 5.618,1101 115.403,1102 37.486,1103 5.383,1104 5.218,1105 6.073,1106 5.14,1107 5.102,1108 7.495,1109 1.776,1110 17.132,1111 5.001,1112 14.295,1113 1.479,1114 1.508,1115 1.547,1116 1.47,1117 1.474,1118 1.955,1119 0.208,1120 4.274,1121 1.388,1122 4.076,1123 4.113,1124 4.045,1125 3.98,1126 5.308,1127 3.991,1128 3.926,1129 3.946,1130 3.877,1131 3.841,1132 4.982,1133 3.846,1134 3.568,1135 3.639,1136 3.497,1137 3.351,1138 4.921,1139 3.38,1140 3.315,1141 3.389,1142 3.19,1143 3.108,1144 4.701,1145 3.119,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.162,1153 3.251,1154 3.021,1155 2.92,1156 4.308,1157 2.926,1158 3.128,1159 3.236,1160 2.94,1161 2.876,1162 4.152,1163 2.882,1164 2.903,1165 3.001,1166 2.668,1167 2.724,1168 3.94,1169 2.696,1170 0.169,1171 0.119,1172 0.241,1173 0.151,1174 0.115,1175 4.55,1176 0.166,1177 3.218,1178 0.034,1179 6.52,1180 0.379,1181 4.068,1182 0.111,1183 3.102,1184 4.495,1185 0.916,1186 10.238,1187 3.001,1188 2.015,1189 1.987,1190 2.082,1191 2.133,1192 1.227,1193 2.119,1194 1.892,1195 1.875,1196 1.987,1197 2.004,1198 1.126,1199 1.998,1200 1.487,1201 1.42,1202 1.693,1203 1.742,1204 0.787,1205 1.728,1206 1.266,1207 1.197,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.545,1215 1.521,1216 0.571,1217 1.526,1218 1.143,1219 1.052,1220 1.472,1221 1.433,1222 0.468,1223 1.468,1224 1.046,1225 0.964,1226 1.312,1227 1.386,1228 0.389,1229 1.371,1230 0.946,1231 0.853,1232 1.294,1233 1.176,1234 0.19,1235 1.23,1236 4.007,1238 5.333,1240 6.855,1242 8.471,1244 10.136,1246 5.279,1250 11.615,1252 0.675,1254 10.652,1257 2.101,1262 28.751,1263 73.177,1264 167.011,1265 200.309,1266 217.819,1267 217.819,1268 217.819,1269 34.379,1270 7.145,1271 99.52,1272 99.52,1273 18,1274 12.394,1275 4.17,1276 3.248,1277 41.825,1278 92,1279 83,1280 0.225,1281 179.797,1282 301.64,1283 430.465,1284 11555,1286 17.974,1287 0.719,1288 0.579,1289 17.974,1290 14.484,1291 11.995,1292 0.444,1293 0.287,1294 7.592,1295 11.373,1296 7.298,1297 6.143,1298 11.995,1299 7.757,1300 10.886,1301 0.286,1302 0.151,1303 10.886,1304 5.745,1305 8.963,1306 0.183,1307 0.082,1308 8.963,1309 3.998,1310 7.511,1311 0.117,1312 0.042,1313 7.511,1314 2.719,1315 6.042,1316 0.075,1317 0.023,1318 6.042,1319 1.834,1320 0.352,1321 76.252,1322 0.239,1323 24.185,1324 0.619,1325 130,1326 391.031,1327 144.222,1328 377.371,1329 519.62,1330 354,1331 152,1332 386.88,1333 165.642,1334 397.641,1335 573.09,1336 368,1337 8.086}
{0 CHEMBL113999,1 1.647,2 11,3 2.298,4 5.281,5 102.657,6 7.563,7 0.607,8 3.966,9 4.089,10 3.531,11 3.401,12 5.162,13 3.42,14 4.448,15 4.62,16 3.859,17 3.745,18 5.593,19 3.751,20 4.562,21 4.713,22 3.985,23 3.899,24 5.722,25 3.892,26 4.713,27 4.898,28 3.943,29 3.942,30 5.831,31 3.896,32 4.834,33 5.052,34 3.759,35 3.918,36 5.86,37 3.832,38 4.725,39 4.963,40 3.495,41 3.827,42 5.64,43 3.69,44 4.7,45 5.016,46 3.423,47 3.684,48 5.501,49 3.54,50 4.413,51 4.671,52 3.465,53 3.508,54 5.373,55 3.448,56 0.104,57 0.7,58 9.768,59 3.742,60 12.897,61 4.945,62 0.42,63 1.016,64 18.366,65 6.223,66 33.109,67 8.079,68 0.429,69 1.201,70 19.174,71 6.677,72 25.941,73 9.184,74 0.398,75 1.293,76 23.294,77 8.243,78 35.699,79 11.473,80 0.79,81 1.28,82 29.453,83 8.951,84 58.89,85 12.28,86 0.506,87 1.163,88 26.011,89 8.519,90 43.843,91 12.279,92 0.456,93 1.046,94 28.01,95 8.188,96 44.41,97 12.931,98 0.336,99 0.836,100 19.764,101 5.921,102 29.911,103 8.768,104 35,105 39,106 0.282,107 0.618,108 0.719,109 0.778,110 0.788,111 0.818,112 3.304,113 0.847,114 -2.96,115 -2.97,116 -2.86,119 38.3,124 3,125 1,139 5,140 2,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 5,172 3,173 3,175 4,178 3,180 1,181 2,182 7,187 5,189 2,191 1,192 1,193 4,195 1,196 1,197 1,198 3,200 2,201 2,204 3,205 1,207 1,210 4,211 1,212 3,214 1,215 6,218 3,224 1,229 4,234 6,238 1,239 1,240 1,243 1,246 10,251 2,256 2,260 2,265 1,270 1,273 920,274 17.643,275 17.643,276 17.643,277 17.643,278 17.643,279 15.582,280 26.188,281 10.181,282 18.389,283 13.619,284 13.619,285 13.619,286 13.619,287 13.619,288 10.281,289 37.292,290 4.557,291 14.543,292 3.908,293 1.939,294 1.354,295 1.006,296 0.947,297 0.772,298 3.985,300 1,301 1,302 1,303 602,304 3.082,307 229.767,311 120.969,314 1.538,315 24.325,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 57.5,327 286,328 4.541,329 3.379,330 6.523,331 4.048,332 3.081,333 4.491,334 0.86,335 10.257,336 2.983,337 4.42,338 3.121,339 6.502,340 4.006,341 3.058,342 4.104,343 0.86,344 10.174,345 2.894,346 3.785,347 2.712,348 5.381,349 3.402,350 2.452,351 3.238,352 0.86,353 7.048,354 2.327,355 3.555,356 2.555,357 5.218,358 3.184,359 2.22,360 2.879,361 0.657,362 6.571,363 2.135,364 3.427,365 2.428,366 5.19,367 2.972,368 2.061,369 2.811,371 6.118,372 1.894,373 3.356,374 2.161,375 5.062,376 2.966,377 2.031,378 2.678,380 5.801,381 1.867,382 3.355,383 2.031,384 4.965,385 2.893,386 1.947,387 2.604,389 5.738,390 1.837,391 2.454,392 1.951,393 3.811,394 2.013,395 1.173,396 1.435,398 2.565,399 0.988,400 2.236,401 1.105,402 3.71,403 1.979,404 1.008,405 1.222,407 2.532,408 0.968,409 1.886,410 1.057,411 3.227,412 1.637,413 0.717,414 0.811,415 1.598,416 0.656,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.43,426 0.875,427 2.744,428 1.161,429 0.315,430 0.339,431 0.416,432 0.264,433 1.33,434 0.247,435 2.58,436 0.956,437 0.021,438 0.027,439 0.049,440 0.02,441 0.976,442 0.046,443 2.492,444 0.529,445 -0.392,446 -0.471,448 -0.767,449 -0.356,450 0.834,451 -0.294,452 2.439,453 0.463,454 -0.461,455 -0.583,457 -1.154,458 -0.422,459 12,460 0.462,461 0.622,462 0.024,463 36.5,464 1.404,465 19,466 0.731,467 17.5,468 0.673,469 18.411,470 0.708,471 28.8,472 0.613,473 27.873,474 1.072,475 7.635,476 0.294,477 4.915,478 0.189,479 0.192,481 0.375,485 1.041,486 1.355,487 0.813,488 1.141,489 1.197,490 0.946,491 1.296,492 0.82,493 0.798,494 0.736,495 0.841,496 0.693,497 0.914,498 1.299,499 0.931,500 1.127,501 0.853,502 1.035,503 0.857,504 1.332,505 1.023,506 1.353,507 0.77,508 1.243,509 1.404,510 0.869,511 1.279,512 0.993,513 1.269,514 1.116,515 1.014,516 1.09,517 1.264,518 1.214,519 1.081,520 1.291,521 0.581,522 0.658,523 0.702,524 0.721,525 0.569,526 0.723,527 0.976,528 0.845,529 0.733,530 0.771,531 0.71,532 0.711,533 6,534 0.206,535 2.889,536 2.063,537 2.182,538 0.653,539 0.384,540 0.373,541 0.188,542 0.278,543 7796,544 23166,545 2.014,546 44.7,548 16,551 5,555 1.688,556 1.857,557 3.402,558 2.596,559 1,560 1,564 77.404,565 1.647,566 3.615,567 4.2,568 4.549,569 4.607,570 4.783,571 2.844,572 4.162,573 4.676,574 3.56,575 1157.13,576 8.087,577 14653.3,579 1,581 1,582 261.066,583 1.502,584 4.615,585 0.214,586 0.01,587 0.074,588 0.048,589 0.056,590 0.021,591 0.017,592 0.016,593 0.008,594 0.012,595 0.476,596 0.17,597 1,598 0.998,599 127.934,600 -0.137,601 -0.109,602 0.031,603 -0.055,604 -0.244,605 0.023,606 -0.103,607 0.259,608 0.153,609 0.29,610 0.09,611 0.265,612 0.06,613 -0.132,614 -0.043,615 -0.08,616 -0.009,617 -0.073,618 0.049,619 -0.255,620 -0.111,621 -0.316,622 0.095,623 -0.257,624 -0.177,625 0.082,626 -0.276,627 -0.021,628 -0.209,629 -0.16,630 -0.134,631 -0.144,632 -0.303,633 -0.204,634 -0.251,635 -0.282,636 0.09,637 0.173,638 0.321,639 0.237,640 0.174,641 0.321,642 -0.04,643 0.055,644 0.274,645 0.213,646 0.149,647 0.3,648 1.506,649 1.935,650 0.615,651 22.059,652 1.012,653 1.137,654 1.734,655 3.006,656 0.649,657 3.367,658 3.689,659 3.97,660 4.234,661 4.443,662 4.431,663 4.466,664 4.511,665 4.615,666 4.654,667 6.467,668 0.627,669 355.44,670 3.367,671 4.905,672 5.759,673 6.642,674 7.512,675 8.396,676 9.27,677 10.154,678 11.029,679 11.913,680 10.6,684 2,685 1,690 2,694 2,695 5,696 2,700 7,702 17,711 2,712 1,716 3,718 47,719 17,720 2,721 28,723 49,724 18,725 14,726 7,727 5,729 3,730 4,741 14,742 4,753 1,754 1,757 21,758 8,759 5,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 1,817 1,818 3,829 6.4,834 3,836 14,837 9.233,838 5.944,839 2.332,840 3.363,841 1.464,842 0.975,843 5.537,844 10.618,845 3.624,846 4.277,847 4.903,848 5.509,849 6.08,850 6.317,851 6.599,852 6.901,853 7.304,854 7.402,855 1,856 43,857 9.501,859 3.887,860 7.788,861 17.835,863 13.86,865 2.288,866 59.5,870 188.338,871 112.753,872 117.376,874 33,877 112.753,878 221.337,879 117.376,880 32.649,881 2.106,882 113.176,883 51.582,884 59.389,885 4.227,886 188.338,888 188.338,889 230.129,890 33,893 188.338,894 33,897 6.149,898 172.398,899 51.582,901 188.338,902 150.376,903 112.753,906 188.338,907 32.722,908 80.03,909 18.011,910 132.365,911 188.338,912 150.376,913 112.753,915 0.574,916 0.355,917 0.202,918 0.109,919 18,920 9,921 0.122,922 6,923 1,924 1.125,925 3.713,926 213.724,927 0.125,928 16,929 114.211,933 18.353,934 7.845,935 3.89,936 1.447,937 150.376,938 9.441,939 8.168,943 4.141,945 83.805,946 451.466,947 36.5,956 47.56,957 53.441,958 0.296,959 0.651,960 0.756,961 0.819,962 0.829,963 0.861,964 4.854,965 1.173,966 5.753,967 5.738,968 4.369,969 4.963,970 1.841,971 6.575,972 4.254,973 6.083,974 1.008,975 7.322,976 2.565,977 4.007,978 4.913,980 7.496,981 3.859,982 7.411,983 0.717,984 8.986,985 2.532,986 5.979,987 7.259,988 1.538,989 10.577,990 5.778,991 8.776,992 0.396,993 10.705,994 1.598,995 6.399,996 7.989,998 12.288,999 6.156,1000 10.169,1001 0.315,1002 12.458,1003 0.603,1004 7.854,1005 9.84,1006 1.278,1007 14.899,1008 7.577,1009 11.582,1010 0.021,1011 14.235,1012 0.416,1013 8.643,1014 10.948,1016 16.957,1017 8.319,1018 13.011,1019 -0.392,1020 16.03,1021 0.049,1022 9.893,1023 12.594,1024 1.053,1025 19.398,1026 9.539,1027 3.081,1028 -0.461,1029 17.839,1030 -0.767,1031 10.861,1032 13.894,1034 21.609,1035 10.46,1036 3.058,1037 10.257,1038 19.66,1039 -1.154,1040 12.03,1041 15.449,1042 0.858,1043 23.981,1044 11.596,1045 2.452,1046 10.174,1047 21.491,1048 4.491,1049 13.081,1050 16.844,1052 26.257,1053 12.602,1054 2.22,1055 7.048,1056 23.329,1057 4.104,1058 14.218,1059 18.358,1060 0.691,1061 28.602,1062 13.704,1063 2.061,1064 6.571,1065 25.174,1066 3.238,1067 15.307,1068 19.8,1070 30.905,1071 14.75,1072 2.031,1073 6.118,1074 27.024,1075 2.879,1076 16.432,1077 21.298,1078 0.549,1079 33.239,1080 15.838,1081 1.947,1082 5.801,1083 28.879,1084 2.811,1085 17.539,1086 22.763,1088 35.554,1089 16.903,1090 7690,1091 13367,1092 18.205,1093 30.483,1094 40.809,1095 42.203,1096 43.609,1097 40.83,1098 40.963,1099 54.182,1100 6.475,1101 118.942,1102 38.353,1103 5.372,1104 5.379,1105 6.066,1106 5.12,1107 5.081,1108 7.491,1109 1.72,1110 17.178,1111 4.983,1112 14.929,1113 1.457,1114 1.507,1115 1.557,1116 1.458,1117 1.463,1118 1.935,1119 0.231,1120 4.248,1121 1.37,1122 4.072,1123 4.108,1124 4.041,1125 3.976,1126 5.309,1127 3.987,1128 3.936,1129 3.947,1130 3.898,1131 3.842,1132 4.983,1133 3.852,1134 3.528,1135 3.596,1136 3.462,1137 3.31,1138 4.972,1139 3.341,1140 3.32,1141 3.38,1142 3.196,1143 3.101,1144 4.714,1145 3.117,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.209,1153 3.287,1154 3.023,1155 2.912,1156 4.465,1157 2.925,1158 3.132,1159 3.237,1160 2.981,1161 2.895,1162 4.313,1163 2.898,1164 3.044,1165 3.146,1166 2.848,1167 2.789,1168 4.136,1169 2.786,1170 0.162,1171 0.121,1172 0.233,1173 0.145,1174 0.11,1175 4.541,1176 0.16,1177 3.379,1178 0.031,1179 6.523,1180 0.366,1181 4.048,1182 0.107,1183 3.081,1184 4.491,1185 0.86,1186 10.257,1187 2.983,1188 2.011,1189 1.984,1190 2.076,1191 2.129,1192 1.204,1193 2.114,1194 1.886,1195 1.875,1196 1.97,1197 2.007,1198 1.126,1199 1.993,1200 1.434,1201 1.373,1202 1.619,1203 1.697,1204 0.692,1205 1.673,1206 1.262,1207 1.204,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.568,1215 1.533,1216 0.57,1217 1.542,1218 1.165,1219 1.078,1220 1.515,1221 1.494,1222 0.521,1223 1.515,1224 1.064,1225 0.986,1226 1.357,1227 1.386,1228 0.39,1229 1.371,1230 1.014,1231 0.913,1232 1.292,1233 1.304,1234 0.201,1235 1.33,1236 4.043,1238 5.361,1240 6.889,1242 8.517,1244 10.197,1246 4.755,1250 11.559,1252 0.554,1253 3.341,1254 16.095,1262 29.466,1263 77.404,1264 169.918,1265 197.417,1266 213.781,1267 216.536,1268 224.801,1269 38.865,1270 7.255,1271 117.54,1272 117.54,1273 18,1274 12.447,1275 4.17,1276 3.248,1277 44.513,1278 104,1279 90,1280 0.214,1281 183.793,1282 310.43,1283 440.216,1284 13420,1286 18.681,1287 0.719,1288 0.572,1289 18.681,1290 14.868,1291 12.55,1292 0.448,1293 0.282,1294 7.714,1295 11.825,1296 7.448,1297 6.262,1298 12.55,1299 7.909,1300 10.98,1301 0.282,1302 0.143,1303 10.98,1304 5.586,1305 9.353,1306 0.18,1307 0.076,1308 9.353,1309 3.964,1310 8.033,1311 0.118,1312 0.04,1313 8.033,1314 2.722,1315 6.45,1316 0.077,1317 0.022,1318 6.45,1319 1.858,1320 0.339,1321 80.491,1322 0.234,1323 25.137,1324 0.579,1325 134,1326 435.454,1327 150.74,1328 412.566,1329 566.09,1330 388,1331 158,1332 417.65,1333 175.017,1334 426.388,1335 618.87,1336 395,1337 6.046}
{0 CHEMBL114058,1 1.647,2 10.846,3 2.298,4 5.281,5 102.657,6 7.563,7 0.607,8 3.966,9 4.089,10 3.531,11 3.401,12 5.162,13 3.42,14 4.448,15 4.62,16 3.859,17 3.745,18 5.598,19 3.751,20 4.56,21 4.713,22 3.969,23 3.901,24 5.679,25 3.897,26 4.724,27 4.895,28 3.962,29 3.963,30 5.878,31 3.907,32 4.839,33 5.08,34 3.813,35 3.936,36 5.828,37 3.845,38 4.808,39 5.049,40 3.616,41 3.819,42 5.761,43 3.732,44 4.611,45 4.851,46 3.517,47 3.764,48 5.539,49 3.645,50 4.623,51 4.915,52 3.487,53 3.66,54 5.471,55 3.545,56 0.104,57 0.7,58 9.768,59 3.742,60 12.897,61 4.945,62 0.42,63 1.016,64 18.366,65 6.223,66 33.869,67 8.079,68 0.28,69 1.201,70 19.069,71 6.653,72 20.87,73 9.027,74 0.675,75 1.311,76 23.547,77 8.346,78 43.909,79 11.576,80 0.478,81 1.332,82 28.922,83 9.297,84 46.123,85 13.513,86 0.815,87 1.159,88 30.209,89 8.193,90 60.54,91 11.483,92 0.358,93 1.055,94 22.958,95 8.102,96 34.403,97 11.52,98 0.369,99 0.992,100 25.185,101 7.763,102 34.941,103 11.91,104 35,105 39,106 0.282,107 0.618,108 0.719,109 0.778,110 0.788,111 0.818,112 3.304,113 0.847,114 -2.96,115 -2.97,116 -2.86,119 38.3,124 3,125 1,139 5,140 2,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 9,172 3,173 3,175 4,178 5,180 1,182 3,187 3,189 2,191 1,192 3,193 4,195 1,196 3,197 1,198 5,200 2,201 2,204 3,205 1,207 1,210 2,211 1,212 3,214 1,215 2,218 3,221 4,224 1,229 4,234 6,238 1,239 1,240 1,241 4,243 1,246 2,259 4,260 6,262 2,263 2,265 3,270 3,273 928,274 17.643,275 17.643,276 17.643,277 17.643,278 17.643,279 15.582,280 26.006,281 10.188,282 18.402,283 13.619,284 13.619,285 13.619,286 13.619,287 13.619,288 10.281,289 36.344,290 4.574,291 14.551,292 3.908,293 1.939,294 1.354,295 1.006,296 0.947,297 0.772,298 3.985,300 1,301 1,302 1,303 594,304 3.082,307 224.95,311 116.889,314 1.42,315 24.577,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 57.5,327 282,328 4.541,329 3.36,330 6.53,331 4.054,332 3.087,333 4.491,334 0.86,335 10.298,336 2.987,337 4.421,338 3.118,339 6.501,340 4.019,341 3.056,342 4.105,343 0.86,344 10.172,345 2.937,346 3.772,347 2.7,348 5.324,349 3.364,350 2.418,351 3.234,352 0.86,353 6.912,354 2.286,355 3.553,356 2.555,357 5.253,358 3.17,359 2.237,360 2.872,361 0.657,362 6.595,363 2.08,364 3.428,365 2.541,366 5.19,367 2.972,368 2.061,369 2.811,371 6.118,372 1.896,373 3.368,374 2.181,375 5.062,376 2.971,377 2.04,378 2.691,380 5.802,381 1.867,382 3.355,383 2.047,384 4.97,385 2.904,386 1.96,387 2.604,389 5.752,390 1.844,391 2.456,392 1.78,393 3.874,394 2.106,395 1.199,396 1.438,398 2.868,399 1.079,400 2.285,401 1.154,402 3.709,403 1.978,404 1.006,405 1.269,407 2.565,408 0.975,409 1.689,410 1.058,411 3.116,412 1.411,413 0.539,414 0.585,415 1.038,416 0.463,417 1.599,418 0.916,419 2.859,420 1.337,421 0.468,422 0.525,423 0.703,424 0.406,425 1.576,426 0.874,427 2.737,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.315,434 0.33,435 2.707,436 0.942,437 0.019,438 0.024,439 0.04,440 0.018,441 0.976,442 -0.029,443 2.542,444 0.559,445 -0.356,446 -0.421,448 -0.741,449 -0.323,450 0.85,451 -0.299,452 2.378,453 0.468,454 -0.458,455 -0.584,457 -1.163,458 -0.421,459 12,460 0.462,461 0.622,462 0.024,463 36.5,464 1.404,465 19,466 0.731,467 17.5,468 0.673,469 18.563,470 0.714,471 28.8,472 0.613,473 28.032,474 1.078,475 7.636,476 0.294,477 4.913,478 0.189,479 0.192,481 0.375,485 1.041,486 1.355,487 0.813,488 1.141,489 1.197,490 0.946,491 1.296,492 0.82,493 0.798,494 0.736,495 0.819,496 0.693,497 1.165,498 1.3,499 0.967,500 1.116,501 1.006,502 1.01,503 0.702,504 1.298,505 1.088,506 1.337,507 0.767,508 1.307,509 0.88,510 1.063,511 1.019,512 1.171,513 0.871,514 1.131,515 1.674,516 0.697,517 1.272,518 0.757,519 1.341,520 0.919,521 0.813,522 0.996,523 1.035,524 1.155,525 0.819,526 1.152,527 0.653,528 0.831,529 0.678,530 0.828,531 0.634,532 0.767,533 6,534 0.206,535 2.889,536 2.063,537 2.022,538 0.986,539 0.303,540 0.342,541 0.377,542 0.198,543 7572,544 22462,545 2.014,546 44.7,548 16,551 5,555 1.691,556 1.857,557 3.369,558 2.596,559 1,560 1,564 77.404,565 1.647,566 3.615,567 4.2,568 4.549,569 4.607,570 4.783,571 2.786,572 4.239,573 4.675,574 3.517,575 1143.18,576 8.098,577 14284.8,579 1,581 1,582 261.066,583 1.502,584 4.615,585 0.214,586 0.011,587 0.074,588 0.048,589 0.052,590 0.03,591 0.011,592 0.014,593 0.015,594 0.008,595 0.477,596 0.17,597 1,598 0.998,599 127.217,600 -0.137,601 -0.109,602 0.031,603 -0.055,604 -0.244,605 0.023,606 -0.103,607 0.259,608 0.153,609 0.29,610 0.112,611 0.265,612 -0.196,613 -0.133,614 -0.081,615 -0.069,616 -0.168,617 -0.048,618 0.284,619 -0.21,620 -0.176,621 -0.297,622 0.128,623 -0.332,624 -0.014,625 -0.096,626 -0.052,627 -0.181,628 0.025,629 -0.133,630 -0.335,631 0.188,632 -0.222,633 0.181,634 -0.307,635 0.027,636 -0.036,637 -0.052,638 -0.088,639 -0.114,640 -0.063,641 -0.114,642 0.076,643 0.014,644 0.33,645 0.162,646 0.124,647 0.283,648 1.511,649 1.967,650 0.615,651 21.053,652 1.012,653 1.137,654 1.734,655 3.006,656 0.649,657 3.367,658 3.689,659 3.97,660 4.234,661 4.466,662 4.477,663 4.489,664 4.511,665 4.654,666 4.691,667 6.26,668 0.627,669 355.44,670 3.367,671 4.905,672 5.759,673 6.642,674 7.514,675 8.4,676 9.276,677 10.162,678 11.039,679 11.925,680 10.6,684 2,685 1,690 2,694 2,695 5,696 2,700 7,702 17,711 2,712 1,716 3,718 47,719 17,720 2,721 28,723 49,724 18,725 14,726 7,727 5,729 3,730 4,741 14,742 4,753 1,754 1,757 21,758 8,759 5,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 1,817 1,818 3,829 6.4,834 3,836 14,837 9.233,838 5.944,839 2.332,840 3.437,841 1.474,842 0.975,843 5.537,844 10.692,845 3.624,846 4.277,847 4.903,848 5.509,849 6.087,850 6.331,851 6.605,852 6.901,853 7.321,854 7.422,855 1,856 43,857 9.502,859 3.887,860 7.788,861 17.835,863 13.86,865 2.288,866 59.5,870 188.338,871 112.753,872 117.376,874 33,877 112.753,878 221.337,879 117.376,880 32.649,881 2.106,882 113.176,883 51.582,884 59.389,885 4.227,886 188.338,888 188.338,889 230.129,890 33,893 188.338,894 33,897 6.149,898 172.398,899 51.582,901 188.338,902 150.376,903 112.753,906 188.338,907 32.722,908 80.03,909 18.011,910 132.365,911 188.338,912 150.376,913 112.753,915 0.574,916 0.353,917 0.198,918 0.112,919 18,920 9,921 0.122,922 6,923 1,924 1.125,925 3.689,926 215.407,927 0.125,928 16,929 114.211,933 18.353,934 7.845,935 3.89,936 1.429,937 150.376,938 9.251,939 8.173,943 4.236,945 83.805,946 451.466,947 36.5,956 47.56,957 53.441,958 0.296,959 0.651,960 0.756,961 0.819,962 0.829,963 0.861,964 4.854,965 1.199,966 5.753,967 5.752,968 4.369,969 4.963,970 1.841,971 6.575,972 4.254,973 6.083,974 1.006,975 7.322,976 2.868,977 4.007,978 4.913,980 7.496,981 3.859,982 7.411,983 0.539,984 8.986,985 2.565,986 5.979,987 7.259,988 1.538,989 10.579,990 5.782,991 8.776,992 0.468,993 10.705,994 1.038,995 6.399,996 7.989,998 12.291,999 6.17,1000 10.169,1001 0.396,1002 12.458,1003 0.703,1004 7.854,1005 9.84,1006 1.278,1007 14.905,1008 7.593,1009 11.582,1010 0.019,1011 14.235,1012 0.603,1013 8.643,1014 10.948,1016 16.966,1017 8.35,1018 13.011,1019 -0.356,1020 16.03,1021 0.04,1022 9.894,1023 12.594,1024 1.053,1025 19.409,1026 9.574,1027 3.087,1028 -0.458,1029 17.84,1030 -0.741,1031 10.863,1032 13.894,1034 21.624,1035 10.509,1036 3.056,1037 10.298,1038 19.662,1039 -1.163,1040 12.032,1041 15.449,1042 0.858,1043 23.999,1044 11.651,1045 2.418,1046 10.172,1047 21.493,1048 4.491,1049 13.085,1050 16.844,1052 26.277,1053 12.668,1054 2.237,1055 6.912,1056 23.332,1057 4.105,1058 14.223,1059 18.359,1060 0.691,1061 28.625,1062 13.776,1063 2.061,1064 6.595,1065 25.177,1066 3.234,1067 15.313,1068 19.801,1070 30.931,1071 14.831,1072 2.04,1073 6.118,1074 27.028,1075 2.872,1076 16.44,1077 21.299,1078 0.549,1079 33.266,1080 15.926,1081 1.96,1082 5.802,1083 28.884,1084 2.811,1085 17.547,1086 22.764,1088 35.584,1089 16.999,1090 7482,1091 12999,1092 18.205,1093 30.483,1094 40.826,1095 42.319,1096 43.49,1097 40.852,1098 40.974,1099 54.2,1100 6.475,1101 118.933,1102 38.362,1103 5.385,1104 5.36,1105 6.083,1106 5.125,1107 5.087,1108 7.491,1109 1.72,1110 17.219,1111 4.987,1112 14.842,1113 1.458,1114 1.511,1115 1.553,1116 1.459,1117 1.463,1118 1.936,1119 0.231,1120 4.248,1121 1.37,1122 4.073,1123 4.108,1124 4.042,1125 3.976,1126 5.309,1127 3.987,1128 3.936,1129 3.948,1130 3.899,1131 3.842,1132 4.983,1133 3.853,1134 3.521,1135 3.591,1136 3.455,1137 3.307,1138 4.958,1139 3.337,1140 3.327,1141 3.38,1142 3.197,1143 3.088,1144 4.711,1145 3.104,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.187,1153 3.274,1154 3.029,1155 2.928,1156 4.576,1157 2.938,1158 3.129,1159 3.236,1160 2.984,1161 2.876,1162 4.263,1163 2.885,1164 3.074,1165 3.173,1166 2.828,1167 2.823,1168 4.019,1169 2.807,1170 0.162,1171 0.12,1172 0.233,1173 0.145,1174 0.11,1175 4.541,1176 0.16,1177 3.36,1178 0.031,1179 6.53,1180 0.368,1181 4.054,1182 0.107,1183 3.087,1184 4.491,1185 0.86,1186 10.298,1187 2.987,1188 2.011,1189 1.984,1190 2.075,1191 2.129,1192 1.205,1193 2.114,1194 1.885,1195 1.875,1196 1.965,1197 2.007,1198 1.127,1199 1.992,1200 1.432,1201 1.368,1202 1.611,1203 1.688,1204 0.687,1205 1.666,1206 1.257,1207 1.2,1208 1.59,1209 1.561,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.571,1215 1.558,1216 0.577,1217 1.565,1218 1.153,1219 1.064,1220 1.508,1221 1.45,1222 0.533,1223 1.475,1224 1.079,1225 0.989,1226 1.403,1227 1.386,1228 0.395,1229 1.373,1230 1.04,1231 0.951,1232 1.294,1233 1.34,1234 0.204,1235 1.37,1236 4.043,1238 5.361,1240 6.889,1242 8.517,1244 10.198,1246 4.812,1250 11.573,1252 0.484,1253 3.339,1254 16.204,1262 29.466,1263 77.404,1264 169.918,1265 197.417,1266 213.781,1267 216.536,1268 224.801,1269 38.926,1270 7.255,1271 117.54,1272 117.54,1273 18,1274 12.458,1275 4.17,1276 3.248,1277 44.394,1278 100,1279 90,1280 0.222,1281 183.793,1282 310.43,1283 440.216,1284 13420,1286 18.681,1287 0.719,1288 0.572,1289 18.681,1290 14.868,1291 12.55,1292 0.448,1293 0.282,1294 7.714,1295 11.816,1296 7.45,1297 6.256,1298 12.55,1299 7.909,1300 10.98,1301 0.282,1302 0.143,1303 10.98,1304 5.563,1305 9.384,1306 0.18,1307 0.077,1308 9.384,1309 4.029,1310 7.892,1311 0.116,1312 0.04,1313 7.892,1314 2.723,1315 6.496,1316 0.076,1317 0.021,1318 6.496,1319 1.842,1320 0.349,1321 80.491,1322 0.234,1323 25.006,1324 0.61,1325 134,1326 435.454,1327 150.74,1328 412.336,1329 565.93,1330 388,1331 158,1332 417.65,1333 174.132,1334 425.871,1335 616.93,1336 395,1337 4.644}
{0 CHEMBL114354,1 1.375,2 10.12,3 4.214,4 17.758,5 104.984,6 6.947,7 0.607,8 3.965,9 4.108,10 3.481,11 3.521,12 5.017,13 3.485,14 4.498,15 4.693,16 3.851,17 3.942,18 5.493,19 3.876,20 4.757,21 4.974,22 3.924,23 4.119,24 5.666,25 4.023,26 4.852,27 5.09,28 3.832,29 4.119,30 5.755,31 3.984,32 4.877,33 5.151,34 3.683,35 4.045,36 5.708,37 3.885,38 4.776,39 5.064,40 3.552,41 3.927,42 5.55,43 3.765,44 4.656,45 4.935,46 3.439,47 3.84,48 5.483,49 3.683,50 4.548,51 4.833,52 3.374,53 3.731,54 5.323,55 3.569,56 0.062,57 0.75,58 10.729,59 4.114,60 10.497,61 5.951,62 0.215,63 1.205,64 19.254,65 7.465,66 22.962,67 10.719,68 0.163,69 1.483,70 25.356,71 9.502,72 21.659,73 14.004,74 0.213,75 1.556,76 28.378,77 10.789,78 33.692,79 15.881,80 0.301,81 1.515,82 30.103,83 10.784,84 36.184,85 16.113,86 0.213,87 1.332,88 27.428,89 9.733,90 27.765,91 14.706,92 0.251,93 1.204,94 24.239,95 8.398,96 31.103,97 12.632,98 0.126,99 1.053,100 21.595,101 8.294,102 20.383,103 12.323,104 10,105 40,106 0.233,107 0.594,108 0.763,109 0.839,110 0.867,111 0.881,112 3.267,113 0.938,114 -5.44,115 -5.31,116 -4.96,119 41.7,121 4,124 1,125 1,139 6,140 4,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 13,169 1,170 6,172 3,173 3,175 1,178 16,180 1,182 7,187 1,189 14,191 1,193 4,195 1,196 1,197 1,198 3,200 2,201 8,204 3,205 1,206 2,207 4,209 1,210 1,212 3,215 8,218 3,221 1,229 10,234 2,236 1,237 1,239 1,241 12,243 1,246 4,251 2,254 8,256 2,260 6,265 4,268 2,270 4,273 834,274 16.947,275 16.947,276 16.947,277 16.947,278 16.947,279 14.883,280 20.692,281 9.89,282 17.226,283 13.831,284 13.831,285 13.831,286 13.831,287 13.831,288 10.66,289 24.012,290 4.695,291 14.293,292 4.21,293 2.081,294 1.089,295 0.641,296 0.474,297 0.391,298 3.967,301 1,302 1,303 559,304 2.828,307 239.617,311 204.215,314 1.485,315 14.358,317 1,318 0.75,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.86,326 52.5,327 253,328 4.55,329 3.311,330 6.534,331 4.082,332 3.111,333 4.495,334 0.916,335 10.299,336 3.045,337 4.381,338 3.148,339 6.503,340 4.024,341 3.034,342 4.027,343 0.172,344 10.184,345 2.987,346 3.921,347 2.905,348 5.975,349 3.605,350 2.665,351 3.331,353 8.407,354 2.503,355 3.487,356 2.353,357 5.199,358 3.104,359 2.146,360 2.811,362 6.263,363 2.076,364 3.423,365 2.197,366 5.064,367 2.982,368 2.031,369 2.804,371 5.866,372 1.908,373 3.332,374 2.06,375 5.007,376 2.927,377 1.975,378 2.593,380 5.792,381 1.874,382 2.947,383 1.784,384 4.26,385 2.618,386 1.618,387 2.115,389 3.888,390 1.618,391 2.559,392 1.491,393 4.007,394 2.301,395 1.325,396 1.572,398 3.407,399 1.294,400 2.435,401 1.287,402 3.707,403 2.234,404 1.25,405 1.429,407 2.802,408 1.225,409 2.428,410 1.08,411 3.586,412 1.978,413 1.004,414 1.403,415 2.565,416 0.975,417 1.975,418 1.053,419 3.3,420 1.834,421 0.844,422 0.93,423 1.979,424 0.835,425 1.381,426 0.199,427 2.828,428 0.988,429 0.035,430 0.045,431 0.09,432 0.033,433 1.109,434 0.045,435 2.657,436 0.815,437 -0.15,438 -0.18,439 -0.367,440 -0.145,441 0.964,442 -0.298,443 2.51,444 0.478,445 -0.448,446 -0.578,448 -1.157,449 -0.412,450 0.669,451 -0.46,452 2.345,453 0.382,454 -0.618,455 -0.73,457 -1.478,458 -0.618,459 12,460 0.48,461 0.644,462 0.026,463 33.75,464 1.35,465 17.5,466 0.7,467 16.25,468 0.65,469 20.083,470 0.803,471 26.4,472 0.55,473 23.024,474 0.921,475 6.312,476 0.252,477 5.802,478 0.232,479 0.108,481 0.367,485 1.119,486 1.223,487 0.882,488 0.985,489 1.233,490 0.921,491 0.703,492 0.912,493 0.837,494 0.92,495 0.385,496 0.897,497 0.964,498 1.142,499 0.989,500 1.078,501 0.733,502 1.044,503 0.745,504 1.19,505 1.068,506 1.237,507 0.671,508 1.195,509 0.84,510 0.957,511 1.052,512 1.07,513 0.907,514 1.082,515 0.884,516 0.924,517 0.943,518 0.953,519 0.718,520 0.954,521 1.126,522 0.775,523 1.096,524 0.917,525 1.142,526 0.988,527 0.527,528 0.973,529 0.813,530 0.99,531 0.533,532 0.942,533 5,534 0.103,535 3.111,536 1.75,537 1.693,538 0.813,539 0.366,540 0.323,541 0.209,542 0.177,543 7360,544 15968,545 2.13,546 47.9,547 8,548 11,551 4,555 1.679,556 2,557 3.301,558 1.697,560 1,564 65.988,565 1.375,566 3.504,567 4.496,568 4.944,569 5.111,570 5.194,571 2.713,572 4.374,573 4.62,574 3.44,575 1031.93,576 7.982,577 12307.5,579 1,581 1,582 268.078,583 1.388,584 4.579,585 0.179,586 0.006,587 0.078,588 0.042,589 0.047,590 0.027,591 0.014,592 0.013,593 0.009,594 0.009,595 0.424,596 0.17,597 0.88,598 0.553,599 119.971,600 -0.106,601 -0.015,602 0.042,603 0.059,604 -0.175,605 0.065,606 0.265,607 0.201,608 0.108,609 0.106,610 0.327,611 0.093,612 -0.073,613 -0.09,614 -0.043,615 -0.058,616 0.008,617 -0.049,618 0.082,619 -0.194,620 -0.117,621 -0.222,622 0.124,623 -0.196,624 0.078,625 -0.006,626 -0.075,627 -0.088,628 -0.026,629 -0.097,630 -0.029,631 -0.009,632 0.037,633 0.034,634 0.025,635 0.041,636 -0.147,637 0.185,638 -0.112,639 0.056,640 -0.191,641 -0.011,642 0.123,643 -0.089,644 0.15,645 0.033,646 0.157,647 0.084,648 1.456,649 2.02,650 0.8,651 18.934,652 0.989,653 1.13,654 4.205,655 17.683,656 0.664,657 3.367,658 3.714,659 4.007,660 4.29,661 4.543,662 4.575,663 4.644,664 4.754,665 4.844,666 4.828,667 5.935,668 0.622,669 333.48,670 3.367,671 4.92,672 5.784,673 6.673,674 7.551,675 8.443,676 9.324,677 10.216,678 11.099,679 11.991,680 10.4,684 2,686 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,714 1,718 48,719 17,720 2,721 28,723 51,724 20,725 14,726 6,727 6,729 4,730 6,736 4,739 4,741 14,742 6,754 1,757 23,758 5,759 4,760 5,764 5,769 0.5,776 1,781 4,785 2,802 2,806 1,810 25,811 2,816 5,821 1,836 12.5,837 8.767,838 5.389,839 2.925,840 3.445,841 1.456,842 1.035,843 4.22,844 10.991,845 3.624,846 4.277,847 4.9,848 5.508,849 6.093,850 6.353,851 6.681,852 7.038,853 7.408,854 7.487,855 0.857,856 42,857 9.217,859 3.92,860 7.533,861 18.091,863 15.272,865 2.033,866 50.833,869 1,870 223.651,871 98.755,872 102.49,877 98.755,878 223.651,879 102.49,880 8.396,881 12.244,882 122.652,883 33.571,884 20.155,885 4.227,886 223.651,888 223.651,889 201.245,893 223.651,897 16.287,898 151.387,899 33.571,901 223.651,902 102.49,903 98.755,906 223.651,907 33.501,908 68.378,910 99.365,911 223.651,912 102.49,913 98.755,915 0.588,916 0.35,917 0.196,918 0.108,919 21,920 9,921 0.059,922 3,923 2,924 1.2,925 3.702,926 214.023,927 0.2,928 20,929 116.096,933 16.16,934 6.528,935 3.142,936 1.618,937 102.49,938 12.762,939 8.317,943 6.208,945 65.794,946 424.896,947 36.5,956 47.461,957 54.228,958 0.246,959 0.627,960 0.805,961 0.885,962 0.915,963 0.93,964 4.869,965 1.325,966 5.778,967 3.888,968 4.394,969 4.963,970 0.918,971 6.605,972 4.333,973 6.09,974 1.25,975 7.347,976 3.407,977 4.007,978 4.856,979 0.325,980 7.516,981 3.9,982 7.411,983 1.004,984 9.015,985 2.802,986 6.004,987 7.232,988 0.671,989 10.628,990 5.888,991 8.768,992 0.844,993 10.74,994 2.565,995 6.415,996 7.937,997 0.393,998 12.353,999 6.264,1000 10.157,1001 0.035,1002 12.503,1003 1.979,1004 7.895,1005 9.807,1006 0.533,1007 14.974,1008 7.736,1009 11.568,1010 -0.15,1011 14.29,1012 0.09,1013 8.684,1014 10.905,1015 0.384,1016 17.037,1017 8.499,1018 12.998,1019 -0.448,1020 16.095,1021 -0.367,1022 9.95,1023 12.559,1024 0.438,1025 19.478,1026 9.754,1027 3.111,1028 -0.618,1029 17.913,1030 -1.157,1031 10.917,1032 13.853,1033 0.351,1034 21.687,1035 10.7,1036 3.034,1037 10.299,1038 19.742,1039 -1.478,1040 12.093,1041 15.411,1042 0.366,1043 24.057,1044 11.864,1045 2.665,1046 10.184,1047 21.578,1048 4.495,1049 13.143,1050 16.803,1051 0.312,1052 26.329,1053 12.895,1054 2.146,1055 8.407,1056 23.42,1057 4.027,1058 14.283,1059 18.319,1060 0.309,1061 28.671,1062 14.021,1063 2.031,1064 6.263,1065 25.268,1066 3.331,1067 15.37,1068 19.76,1069 0.273,1070 30.972,1071 15.091,1072 1.975,1073 5.866,1074 27.12,1075 2.811,1076 16.497,1077 21.259,1078 0.262,1079 33.303,1080 16.202,1081 1.618,1082 5.792,1083 28.974,1084 2.804,1085 17.602,1086 22.725,1087 0.236,1088 35.616,1089 17.29,1090 6906,1091 10330,1092 18.898,1093 31.881,1094 42.353,1095 42.274,1096 43.428,1097 42.126,1098 42.072,1099 55.11,1100 2.178,1101 123.085,1102 40.75,1103 5.497,1104 5.311,1105 6.223,1106 5.154,1107 5.111,1108 7.495,1109 1.605,1110 17.195,1111 5.045,1112 10.812,1113 1.513,1114 1.51,1115 1.551,1116 1.505,1117 1.503,1118 1.968,1119 0.078,1120 4.396,1121 1.455,1122 4.087,1123 4.123,1124 4.05,1125 4.002,1126 5.308,1127 4.006,1128 3.995,1129 4.027,1130 3.935,1131 3.931,1132 4.982,1133 3.93,1134 3.607,1135 3.681,1136 3.514,1137 3.447,1138 4.743,1139 3.442,1140 3.49,1141 3.554,1142 3.36,1143 3.328,1144 4.677,1145 3.341,1146 3.292,1147 3.373,1148 3.157,1149 3.115,1150 4.256,1151 3.116,1152 3.131,1153 3.236,1154 3.02,1155 2.954,1156 4.064,1157 2.943,1158 3.111,1159 3.198,1160 2.918,1161 2.881,1162 3.97,1163 2.895,1164 2.856,1165 2.965,1166 2.609,1167 2.666,1168 3.764,1169 2.638,1170 0.163,1171 0.118,1172 0.233,1173 0.146,1174 0.111,1175 4.55,1176 0.161,1177 3.311,1178 0.033,1179 6.534,1180 0.368,1181 4.082,1182 0.109,1183 3.111,1184 4.495,1185 0.916,1186 10.299,1187 3.045,1188 2.031,1189 2.002,1190 2.146,1191 2.138,1192 1.452,1193 2.132,1194 1.989,1195 1.962,1196 2.068,1197 2.081,1198 1.204,1199 2.089,1200 1.586,1201 1.524,1202 1.812,1203 1.786,1204 1.039,1205 1.793,1206 1.461,1207 1.395,1208 1.674,1209 1.657,1210 0.801,1211 1.672,1212 1.263,1213 1.193,1214 1.484,1215 1.498,1216 0.732,1217 1.508,1218 1.14,1219 1.057,1220 1.469,1221 1.386,1222 0.481,1223 1.399,1224 1.046,1225 0.963,1226 1.306,1227 1.351,1228 0.389,1229 1.371,1230 0.904,1231 0.802,1232 1.293,1233 1.158,1234 0.324,1235 1.216,1236 4.043,1238 5.38,1240 6.925,1242 8.566,1244 10.255,1246 2.109,1250 11.697,1252 5.873,1257 2.249,1262 29.848,1263 65.988,1264 168.198,1265 215.814,1266 237.323,1267 245.323,1268 249.323,1269 30.604,1270 7.546,1271 81.06,1272 81.06,1273 24,1274 12.52,1275 4.17,1276 3.248,1277 35.98,1278 90,1279 83,1280 0.197,1281 183.596,1282 306.3,1283 439.734,1284 20274,1286 17.389,1287 0.696,1288 0.58,1289 17.389,1290 14.496,1291 12.114,1292 0.433,1293 0.313,1294 8.669,1295 11.807,1296 8.428,1297 7.005,1298 12.114,1299 8.752,1300 11.163,1301 0.279,1302 0.17,1303 11.163,1304 6.786,1305 9.501,1306 0.176,1307 0.094,1308 9.501,1309 5.067,1310 8.265,1311 0.115,1312 0.052,1313 8.265,1314 3.751,1315 6.794,1316 0.073,1317 0.029,1318 6.794,1319 2.733,1320 0.307,1321 74.738,1322 0.23,1323 24.11,1324 0.545,1325 136,1326 309.56,1327 144.465,1328 314.952,1329 447.96,1330 296,1331 162,1332 347.789,1333 170.326,1334 358.963,1335 525.34,1336 338,1337 7.77}
{0 CHEMBL114668,1 1.685,2 10.862,3 1.137,4 1.292,5 112.072,6 7.556,7 0.387,8 4.084,9 4.211,10 3.644,11 3.481,12 5.291,13 3.507,14 4.591,15 4.772,16 3.987,17 3.851,18 5.722,19 3.861,20 4.732,21 4.882,22 4.17,23 4.071,24 5.864,25 4.067,26 4.97,27 5.153,28 4.22,29 4.179,30 6.147,31 4.139,32 5.135,33 5.37,34 4.076,35 4.169,36 6.184,37 4.107,38 5.038,39 5.269,40 3.959,41 4.081,42 6.155,43 3.995,44 4.959,45 5.222,46 3.84,47 3.98,48 5.995,49 3.879,50 4.85,51 5.109,52 3.817,53 3.819,54 6.009,55 3.75,56 0.142,57 0.788,58 11.109,59 4.009,60 15.682,61 5.575,62 0.586,63 1.155,64 21.58,65 6.829,66 43.417,67 9.274,68 0.498,69 1.436,70 22.637,71 7.942,72 31.657,73 11.231,74 0.706,75 1.65,76 30.353,77 10.297,78 55.046,79 14.583,80 1.018,81 1.668,82 40.239,83 10.209,84 88.422,85 15.619,86 1.066,87 1.482,88 36.555,89 10.504,90 91.212,91 15.313,92 0.733,93 1.334,94 34.55,95 10.071,96 77.475,97 15.436,98 0.857,99 1.138,100 31.737,101 8.624,102 98.837,103 13.102,104 66,105 44,106 0.282,107 0.641,108 0.766,109 0.794,110 0.803,111 0.829,112 3.408,113 0.855,114 -2.55,115 -2.58,116 -2.51,119 35.8,120 1,122 1,124 3,125 1,135 1,136 1,139 2,140 1,141 4,144 2,147 1,153 1,157 2,158 2,159 2,166 3,169 2,170 7,172 3,173 4,175 3,178 4,180 1,181 2,182 5,187 2,191 1,192 3,193 11,195 1,196 3,197 3,198 4,200 4,201 2,204 3,205 1,206 1,207 1,212 1,215 2,218 1,220 4,221 4,223 1,224 2,226 4,229 4,231 2,233 1,234 3,245 2,246 9,248 2,249 4,251 2,256 2,260 2,263 1,273 1281,274 19.566,275 19.566,276 19.566,277 19.566,278 19.566,279 17.724,280 33.449,281 11.116,282 20.427,283 14.991,284 14.991,285 14.991,286 14.991,287 14.991,288 11.918,289 50.98,290 4.854,291 16.055,292 4.043,293 1.896,294 1.147,295 0.982,296 0.93,297 0.774,298 4.085,301 1,302 1,303 657,304 3.606,307 260.348,311 137.736,314 1.532,315 34.034,318 1,319 0.83,320 1,321 1,322 1,323 1,324 1,325 0.98,326 65,327 315,328 4.522,329 3.557,330 6.838,331 4.192,332 3.22,333 4.156,334 1.257,335 11.245,336 3.135,337 4.443,338 3.408,339 6.554,340 4.042,341 3.097,342 4.12,343 0.986,344 10.384,345 2.921,346 3.962,347 3.203,348 6.106,349 3.647,350 2.71,351 3.265,352 0.86,353 8.897,354 2.537,355 3.749,356 2.781,357 5.754,358 3.393,359 2.446,360 3.046,361 0.86,362 7.69,363 2.31,364 3.407,365 2.555,366 5.19,367 2.973,368 2.061,369 2.689,370 0.86,371 6.118,372 1.901,373 3.355,374 2.457,375 5.097,376 2.972,377 2.039,378 2.604,379 0.401,380 5.916,381 1.867,382 3.285,383 2.248,384 5.01,385 2.896,386 1.97,387 2.523,388 0.4,389 5.795,390 1.817,391 2.859,392 2.179,393 4.48,394 2.473,395 1.514,396 1.884,398 4.204,399 1.444,400 2.545,401 1.978,402 4.176,403 2.267,404 1.315,405 1.511,407 3.392,408 1.247,409 2.198,410 1.664,411 3.684,412 1.92,413 1.076,414 1.144,415 2.173,416 0.898,417 1.944,418 1.336,419 3.124,420 1.53,421 0.513,422 0.639,423 1.036,424 0.511,425 1.576,426 0.973,427 2.859,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.418,434 0.916,435 2.823,436 1.175,437 0.324,438 0.346,439 0.413,440 0.272,441 1.325,442 0.595,443 2.682,444 1.025,445 0.04,446 0.051,448 0.069,449 0.039,450 1.152,451 0.123,452 2.552,453 0.837,454 -0.115,455 -0.135,457 -0.295,458 -0.109,459 13.233,460 0.456,461 0.746,462 0.026,463 38,464 1.31,465 18,466 0.621,467 20,468 0.69,469 24.761,470 0.854,471 32.967,472 0.622,473 32.057,474 1.105,475 7.874,476 0.272,477 6.052,478 0.209,479 0.237,481 0.408,485 0.972,486 1.55,487 0.804,488 1.258,489 0.854,490 1.013,491 1.139,492 0.795,493 0.78,494 0.705,495 0.718,496 0.679,497 0.816,498 1.395,499 0.878,500 1.199,501 0.691,502 1.063,503 0.775,504 1.264,505 1.027,506 1.354,507 0.824,508 1.269,509 1.324,510 0.96,511 1.201,512 0.954,513 1.206,514 1.025,515 1.078,516 0.889,517 1.16,518 1.042,519 1.135,520 1.114,521 0.824,522 0.977,523 0.879,524 1.012,525 1.127,526 0.969,527 0.941,528 0.814,529 0.809,530 0.845,531 1.289,532 0.82,533 6.5,534 0.206,535 3.778,536 2.875,537 2.693,538 1.222,539 0.73,540 0.557,541 0.34,542 0.334,543 9423,544 29439,545 1.973,546 45.3,547 4,548 13,549 1,550 1,551 5,555 1.723,556 1.794,557 3.383,558 2.528,559 1,560 1,564 89.32,565 1.685,566 3.832,567 4.581,568 4.746,569 4.798,570 4.954,571 2.823,572 4.582,573 4.833,574 3.532,575 1433.92,576 8.433,577 18974.2,579 1,582 303.58,583 1.556,584 4.756,585 0.21,586 0.009,587 0.086,588 0.055,589 0.053,590 0.028,591 0.02,592 0.016,593 0.01,594 0.012,595 0.499,596 0.17,597 0.88,598 1.057,599 145.782,600 -0.131,601 -0.245,602 0.036,603 -0.122,604 -0.128,605 -0.011,606 -0.056,607 0.317,608 0.167,609 0.334,610 0.043,611 0.295,612 0.034,613 -0.169,614 -0.012,615 -0.081,616 -0.034,617 -0.053,618 0.103,619 -0.127,620 -0.123,621 -0.293,622 0.053,623 -0.273,624 -0.257,625 0.02,626 -0.205,627 -0.011,628 -0.208,629 -0.075,630 -0.024,631 0.067,632 -0.169,633 -0.058,634 -0.022,635 -0.135,636 0.031,637 -0.088,638 0.11,639 -0.011,640 0.021,641 0.06,642 0.119,643 0.041,644 0.222,645 0.115,646 0.132,647 0.175,648 1.565,649 4.896,650 0.552,651 24.535,652 1.016,653 1.143,654 1.322,655 1.749,656 0.636,657 3.466,658 3.807,659 4.127,660 4.407,661 4.615,662 4.691,663 4.745,664 4.804,665 4.852,666 4.875,667 6.346,668 0.618,669 400.49,670 3.466,671 5.017,672 5.889,673 6.788,674 7.676,675 8.578,676 9.47,677 10.374,678 11.267,679 12.171,680 11.3,684 2,685 1,687 1,690 2,695 2,696 2,700 8,702 12,711 2,712 1,716 3,718 53,719 14,720 1,721 31,723 55,724 19,725 10,726 4,727 2,729 3,730 4,734 1,737 1,741 13,742 6,743 1,744 2,748 1,749 2,751 1,754 1,757 24,758 10,759 5,760 10,764 6,769 0.667,770 4,776 1,781 3,785 1,791 1,796 1,802 2,806 4,810 29,811 2,816 1,817 1,818 3,820 1,821 1,829 7.5,832 1,834 3,836 16.167,837 10.6,838 6.694,839 2.701,840 2.598,841 1.35,842 0.949,843 6.467,844 10.018,845 3.689,846 4.277,847 4.856,848 5.406,849 5.906,850 6.135,851 6.333,852 6.554,853 6.763,854 6.917,855 1,856 52,857 10.639,859 4.405,860 7.908,861 19.787,863 15.494,865 2.408,866 69.833,870 223.651,871 113.988,872 120.5,874 58.145,877 113.988,878 281.796,879 120.5,880 41.474,881 14.277,882 84.747,883 99.493,884 57.858,885 18.326,886 200.109,888 223.651,889 234.489,890 58.145,893 223.651,894 58.145,897 15.954,898 166.953,899 51.582,901 223.651,902 178.645,903 113.988,906 223.651,907 33.519,908 83.594,909 18.011,910 157.51,911 223.651,912 178.645,913 113.988,915 0.577,916 0.37,917 0.212,918 0.112,919 20,920 11,921 0.109,922 6,923 1,924 1.125,925 3.786,926 257.827,927 0.125,928 16,929 130.881,933 21.17,934 8.858,935 4.098,937 178.645,938 3.423,939 8.223,943 3.673,945 83.805,946 516.284,947 39,951 11.896,952 2.542,954 0.915,956 53.872,957 60.564,958 0.294,959 0.669,960 0.8,961 0.829,962 0.838,963 0.865,964 4.949,965 1.514,966 5.9,967 5.795,968 4.489,969 4.963,970 2.401,971 6.767,972 4.367,973 6.166,974 1.315,975 7.502,976 4.204,977 4.205,978 4.89,979 0.325,980 7.789,981 4.048,982 7.493,983 1.076,984 9.2,985 3.392,986 6.142,987 7.159,988 2.359,989 10.898,990 5.929,991 8.854,992 0.513,993 10.954,994 2.173,995 6.648,996 7.858,997 0.74,998 12.702,999 6.402,1000 10.245,1001 0.396,1002 12.742,1003 1.036,1004 8.079,1005 9.641,1006 2.446,1007 15.349,1008 7.791,1009 11.656,1010 0.324,1011 14.553,1012 0.603,1013 8.94,1014 10.698,1015 1.202,1016 17.484,1017 8.621,1018 13.084,1019 0.04,1020 16.381,1021 0.413,1022 10.185,1023 12.286,1024 2.624,1025 19.969,1026 9.831,1027 3.22,1028 -0.115,1029 18.223,1030 0.069,1031 11.206,1032 13.521,1033 1.695,1034 22.248,1035 10.82,1036 3.097,1037 11.245,1038 20.075,1039 -0.295,1040 12.384,1041 15.022,1042 2.875,1043 24.674,1044 11.966,1045 2.71,1046 10.384,1047 21.936,1048 4.156,1049 13.475,1050 16.347,1051 2.2,1052 27.018,1053 13.027,1054 2.446,1055 8.897,1056 23.804,1057 4.12,1058 14.63,1059 17.806,1060 3.183,1061 29.424,1062 14.152,1063 2.061,1064 7.69,1065 25.678,1066 3.265,1067 15.754,1068 19.177,1069 2.706,1070 31.798,1071 15.245,1072 2.039,1073 6.118,1074 27.557,1075 3.046,1076 16.903,1077 20.617,1078 3.532,1079 34.198,1080 16.365,1081 1.97,1082 5.916,1083 29.44,1084 2.689,1085 18.041,1086 22.011,1087 3.208,1088 36.587,1089 17.475,1090 9409,1091 16739,1092 19.709,1093 33.705,1094 45.95,1095 48.503,1096 49.616,1097 45.447,1098 45.443,1099 56.861,1100 11.247,1101 135.872,1102 42.483,1103 5.438,1104 5.557,1105 6.38,1106 5.268,1107 5.22,1108 7.156,1109 2.392,1110 18.523,1111 5.135,1112 18.528,1113 1.482,1114 1.565,1115 1.601,1116 1.466,1117 1.466,1118 1.834,1119 0.363,1120 4.383,1121 1.37,1122 4.021,1123 4.062,1124 3.98,1125 3.895,1126 7.453,1127 3.91,1128 3.921,1129 3.941,1130 3.89,1131 3.804,1132 5.289,1133 3.821,1134 3.604,1135 3.659,1136 3.539,1137 3.41,1138 4.979,1139 3.436,1140 3.396,1141 3.451,1142 3.312,1143 3.133,1144 4.972,1145 3.167,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.616,1151 3.026,1152 3.221,1153 3.298,1154 3.038,1155 2.967,1156 4.58,1157 2.967,1158 3.188,1159 3.282,1160 3.011,1161 2.904,1162 4.464,1163 2.911,1164 3.124,1165 3.2,1166 2.921,1167 2.854,1168 4.27,1169 2.857,1170 0.146,1171 0.115,1172 0.221,1173 0.135,1174 0.104,1175 4.522,1176 0.134,1177 3.557,1178 0.041,1179 6.838,1180 0.363,1181 4.192,1182 0.101,1183 3.22,1184 4.156,1185 1.257,1186 11.245,1187 3.135,1188 1.938,1189 1.904,1190 2.037,1191 2.089,1192 1.282,1193 2.072,1194 1.862,1195 1.844,1196 1.936,1197 2.004,1198 1.08,1199 1.981,1200 1.522,1201 1.469,1202 1.655,1203 1.756,1204 0.777,1205 1.733,1206 1.303,1207 1.24,1208 1.591,1209 1.594,1210 0.595,1211 1.588,1212 1.227,1213 1.163,1214 1.59,1215 1.558,1216 0.584,1217 1.565,1218 1.181,1219 1.097,1220 1.569,1221 1.507,1222 0.573,1223 1.527,1224 1.155,1225 1.068,1226 1.512,1227 1.439,1228 0.557,1229 1.46,1230 1.069,1231 0.993,1232 1.324,1233 1.37,1234 0.276,1235 1.375,1236 4.143,1238 5.476,1240 7.026,1242 8.678,1244 10.383,1246 6.536,1250 11.716,1252 0.305,1253 3.084,1254 16.098,1256 -0.115,1257 1.536,1262 32.729,1263 89.32,1264 203.102,1265 242.786,1266 251.541,1267 254.296,1268 262.56,1269 58.737,1270 7.421,1271 137.85,1272 137.85,1273 18,1274 12.692,1275 3.907,1276 3.17,1277 52.333,1278 111,1279 108,1280 0.234,1281 204.176,1282 358.42,1283 489.95,1284 15638,1286 21.129,1287 0.729,1288 0.577,1289 21.129,1290 16.723,1291 13.926,1292 0.449,1293 0.285,1294 8.598,1295 13.026,1296 8.283,1297 6.959,1298 13.926,1299 8.833,1300 12.132,1301 0.276,1302 0.146,1303 12.132,1304 6.431,1305 10.678,1306 0.175,1307 0.079,1308 10.678,1309 4.837,1310 9.302,1311 0.115,1312 0.041,1313 9.302,1314 3.315,1315 7.132,1316 0.071,1317 0.022,1318 7.132,1319 2.175,1320 0.362,1321 90.031,1322 0.225,1323 27.113,1324 0.656,1325 150,1326 512.835,1327 170.76,1328 480.442,1329 650.48,1330 450,1331 180,1332 472.828,1333 201.343,1334 480.602,1335 698.94,1336 444,1337 5.585}
{0 CHEMBL114833,1 1.647,2 10.923,3 2.298,4 5.281,5 102.657,6 7.563,7 0.607,8 3.966,9 4.089,10 3.531,11 3.401,12 5.162,13 3.42,14 4.448,15 4.62,16 3.859,17 3.745,18 5.595,19 3.751,20 4.561,21 4.713,22 3.977,23 3.9,24 5.707,25 3.894,26 4.717,27 4.896,28 3.922,29 3.953,30 5.836,31 3.897,32 4.832,33 5.066,34 3.765,35 3.924,36 5.836,37 3.824,38 4.747,39 5,40 3.582,41 3.8,42 5.665,43 3.691,44 4.633,45 4.891,46 3.506,47 3.697,48 5.548,49 3.598,50 4.498,51 4.751,52 3.49,53 3.613,54 5.436,55 3.526,56 0.104,57 0.7,58 9.768,59 3.742,60 12.897,61 4.945,62 0.42,63 1.016,64 18.366,65 6.223,66 33.431,67 8.079,68 0.355,69 1.201,70 19.121,71 6.665,72 23.982,73 9.106,74 0.476,75 1.302,76 23.396,77 8.289,78 38.27,79 11.449,80 0.688,81 1.306,82 29.096,83 9.181,84 53.937,85 13.178,86 0.563,87 1.142,88 27.575,89 8.299,90 47.1,91 12.138,92 0.505,93 1.012,94 24.922,95 7.585,96 42.856,97 10.95,98 0.313,99 0.927,100 21.008,101 6.761,102 29.082,103 9.963,104 35,105 39,106 0.282,107 0.618,108 0.726,109 0.8,110 0.817,111 0.855,112 3.304,113 0.847,114 -2.96,115 -2.97,116 -2.86,119 38.3,124 3,125 1,139 5,140 2,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 7,172 3,173 3,175 4,178 3,180 1,181 1,182 7,187 4,189 3,191 1,192 1,193 2,195 1,196 2,197 1,198 4,200 2,201 2,204 3,205 1,206 1,207 1,210 3,211 1,212 3,214 1,215 4,218 3,221 2,224 1,229 4,234 6,238 1,239 1,240 1,241 2,243 1,246 6,251 1,256 1,259 2,260 4,262 1,263 1,265 2,270 2,273 932,274 17.643,275 17.643,276 17.643,277 17.643,278 17.643,279 15.582,280 26.097,281 10.169,282 18.395,283 13.613,284 13.613,285 13.613,286 13.613,287 13.613,288 10.278,289 36.686,290 4.554,291 14.542,292 3.908,293 1.939,294 1.312,295 0.878,296 0.777,297 0.559,298 3.985,300 1,301 1,302 1,303 598,304 3.082,307 227.358,311 118.929,314 1.479,315 24.377,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 57.5,327 284,328 4.541,329 3.323,330 6.502,331 4.048,332 3.081,333 4.491,334 0.86,335 10.175,336 2.984,337 4.389,338 3.12,339 6.348,340 3.981,341 3.024,342 4.072,343 0.86,344 9.767,345 2.892,346 3.803,347 2.899,348 5.858,349 3.438,350 2.5,351 3.241,352 0.86,353 8.006,354 2.339,355 3.724,356 2.56,357 5.31,358 3.314,359 2.372,360 3.107,361 0.657,362 6.871,363 2.228,364 3.429,365 2.271,366 5.062,367 2.974,368 2.044,369 2.811,371 5.803,372 1.896,373 3.373,374 2.17,375 4.971,376 2.909,377 1.966,378 2.696,380 5.758,381 1.85,382 3.107,383 2.05,384 4.704,385 2.724,386 1.788,387 2.301,389 5.064,390 1.665,391 2.456,392 1.906,393 3.926,394 2.125,395 1.256,396 1.438,398 2.917,399 1.083,400 2.337,401 1.124,402 3.71,403 1.981,404 1.007,405 1.325,407 2.565,408 0.978,409 1.84,410 1.058,411 3.194,412 1.569,413 0.658,414 0.75,415 1.436,416 0.596,417 1.592,418 0.921,419 2.799,420 1.32,421 0.466,422 0.513,423 0.674,424 0.395,425 1.456,426 0.874,427 2.752,428 1.17,429 0.312,430 0.342,431 0.437,432 0.265,433 1.315,434 0.314,435 2.641,436 0.948,437 0.02,438 0.025,439 0.044,440 0.018,441 0.976,442 0.046,443 2.528,444 0.553,445 -0.356,446 -0.416,448 -0.648,449 -0.319,450 0.847,451 -0.294,452 2.411,453 0.469,454 -0.454,455 -0.579,457 -1.153,458 -0.416,459 12,460 0.462,461 0.622,462 0.024,463 36.5,464 1.404,465 19,466 0.731,467 17.5,468 0.673,469 18.446,470 0.709,471 28.8,472 0.613,473 27.922,474 1.074,475 7.636,476 0.294,477 4.914,478 0.189,479 0.192,481 0.375,485 1.041,486 1.355,487 0.813,488 1.141,489 1.197,490 0.946,491 1.296,492 0.82,493 0.798,494 0.736,495 0.832,496 0.693,497 1.04,498 1.3,499 0.949,500 1.122,501 0.904,502 1.023,503 0.904,504 1.315,505 1.113,506 1.346,507 0.863,508 1.291,509 0.953,510 0.967,511 1.12,512 1.092,513 1.006,514 1.141,515 1.094,516 0.897,517 1.091,518 0.977,519 1.004,520 1.028,521 1.11,522 0.756,523 0.986,524 0.837,525 0.924,526 0.885,527 0.832,528 0.982,529 0.838,530 0.984,531 0.734,532 0.923,533 6,534 0.206,535 3.111,536 1.813,537 2.102,538 0.819,539 0.384,540 0.358,541 0.283,542 0.238,543 7700,544 22878,545 2.014,546 44.7,548 16,551 5,555 1.69,556 1.857,557 3.405,558 2.596,559 1,560 1,564 77.404,565 1.647,566 3.615,567 4.243,568 4.676,569 4.777,570 4.996,571 2.83,572 4.316,573 4.675,574 3.544,575 1151.89,576 8.093,577 14502.3,579 1,581 1,582 261.066,583 1.502,584 4.615,585 0.214,586 0.01,587 0.08,588 0.042,589 0.055,590 0.026,591 0.015,592 0.014,593 0.011,594 0.01,595 0.479,596 0.17,597 1,598 0.998,599 127.63,600 -0.137,601 -0.109,602 0.031,603 -0.055,604 -0.244,605 0.023,606 -0.103,607 0.259,608 0.153,609 0.29,610 0.099,611 0.265,612 -0.068,613 -0.132,614 -0.062,615 -0.074,616 -0.062,617 -0.06,618 0.04,619 -0.233,620 -0.203,621 -0.307,622 0.016,623 -0.311,624 0.024,625 -0.008,626 -0.141,627 -0.107,628 -0.055,629 -0.156,630 -0.116,631 0.012,632 -0.09,633 -0.001,634 -0.124,635 -0.033,636 -0.119,637 0.133,638 0.025,639 0.144,640 -0.058,641 0.119,642 -0.014,643 -0.061,644 0.139,645 0.025,646 0.053,647 0.104,648 1.509,649 1.949,650 0.615,651 21.834,652 1.012,653 1.137,654 1.734,655 3.006,656 0.649,657 3.367,658 3.689,659 3.97,660 4.22,661 4.454,662 4.477,663 4.477,664 4.5,665 4.635,666 4.673,667 6.375,668 0.627,669 355.44,670 3.367,671 4.905,672 5.759,673 6.64,674 7.51,675 8.394,676 9.269,677 10.152,678 11.028,679 11.911,680 10.6,684 2,685 1,690 2,694 2,695 5,696 2,700 7,702 17,711 2,712 1,716 3,718 47,719 17,720 2,721 28,723 49,724 18,725 14,726 7,727 5,729 3,730 4,741 14,742 4,753 1,754 1,757 21,758 8,759 5,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 1,817 1,818 3,829 6.4,834 3,836 14,837 9.233,838 5.944,839 2.332,840 3.401,841 1.469,842 0.975,843 5.537,844 10.656,845 3.624,846 4.277,847 4.903,848 5.5,849 6.089,850 6.335,851 6.598,852 6.896,853 7.312,854 7.412,855 1,856 43,857 9.501,859 3.886,860 7.788,861 17.835,863 13.86,865 2.288,866 59.5,870 188.338,871 112.753,872 117.376,874 33,877 112.753,878 221.337,879 117.376,880 32.649,881 2.106,882 113.176,883 51.582,884 59.389,885 4.227,886 188.338,888 188.338,889 230.129,890 33,893 188.338,894 33,897 6.149,898 172.398,899 51.582,901 188.338,902 150.376,903 112.753,906 188.338,907 32.722,908 80.03,909 18.011,910 132.365,911 188.338,912 150.376,913 112.753,915 0.575,916 0.355,917 0.197,918 0.109,919 18,920 9,921 0.122,922 6,923 1,924 1.125,925 3.708,926 214.223,927 0.125,928 16,929 122.211,933 18.353,934 7.845,935 3.89,936 1.438,937 150.376,938 9.311,939 8.17,943 4.247,945 83.805,946 451.466,947 36.5,956 47.56,957 53.441,958 0.296,959 0.651,960 0.764,961 0.842,962 0.86,963 0.899,964 4.854,965 1.256,966 5.753,967 5.064,968 4.369,969 4.963,970 1.841,971 6.572,972 4.254,973 6.083,974 1.007,975 7.322,976 2.917,977 4.007,978 4.913,980 7.486,981 3.859,982 7.411,983 0.658,984 8.986,985 2.565,986 5.979,987 7.259,988 1.538,989 10.556,990 5.78,991 8.776,992 0.466,993 10.703,994 1.436,995 6.399,996 7.989,998 12.243,999 6.163,1000 10.168,1001 0.312,1002 12.453,1003 0.674,1004 7.851,1005 9.839,1006 1.278,1007 14.837,1008 7.583,1009 11.581,1010 0.02,1011 14.225,1012 0.437,1013 8.636,1014 10.943,1016 16.861,1017 8.329,1018 13.009,1019 -0.356,1020 16.014,1021 0.044,1022 9.882,1023 12.587,1024 1.053,1025 19.279,1026 9.547,1027 3.081,1028 -0.454,1029 17.815,1030 -0.648,1031 10.842,1032 13.883,1034 21.455,1035 10.469,1036 3.024,1037 10.175,1038 19.626,1039 -1.153,1040 12.004,1041 15.436,1042 0.858,1043 23.804,1044 11.603,1045 2.5,1046 9.767,1047 21.445,1048 4.491,1049 13.046,1050 16.828,1052 26.048,1053 12.608,1054 2.372,1055 8.006,1056 23.271,1057 4.072,1058 14.177,1059 18.341,1060 0.691,1061 28.37,1062 13.709,1063 2.044,1064 6.871,1065 25.102,1066 3.241,1067 15.257,1068 19.781,1070 30.646,1071 14.753,1072 1.966,1073 5.803,1074 26.938,1075 3.107,1076 16.376,1077 21.278,1078 0.549,1079 32.957,1080 15.841,1081 1.788,1082 5.758,1083 28.777,1084 2.811,1085 17.475,1086 22.742,1088 35.248,1089 16.904,1090 7602,1091 13215,1092 18.205,1093 30.483,1094 40.834,1095 42.272,1096 43.484,1097 40.86,1098 40.986,1099 54.221,1100 6.475,1101 119.034,1102 38.377,1103 5.379,1104 5.323,1105 6.05,1106 5.12,1107 5.081,1108 7.491,1109 1.72,1110 17.069,1111 4.984,1112 14.908,1113 1.458,1114 1.51,1115 1.553,1116 1.459,1117 1.464,1118 1.936,1119 0.231,1120 4.251,1121 1.371,1122 4.073,1123 4.108,1124 4.041,1125 3.976,1126 5.309,1127 3.987,1128 3.936,1129 3.948,1130 3.898,1131 3.842,1132 4.983,1133 3.852,1134 3.525,1135 3.594,1136 3.459,1137 3.308,1138 4.964,1139 3.339,1140 3.351,1141 3.397,1142 3.231,1143 3.101,1144 4.713,1145 3.123,1146 3.266,1147 3.33,1148 3.098,1149 2.993,1150 4.615,1151 3.007,1152 3.204,1153 3.285,1154 3.025,1155 2.919,1156 4.494,1157 2.93,1158 3.131,1159 3.236,1160 2.989,1161 2.888,1162 4.276,1163 2.896,1164 3.056,1165 3.156,1166 2.831,1167 2.806,1168 4.067,1169 2.794,1170 0.162,1171 0.119,1172 0.232,1173 0.145,1174 0.11,1175 4.541,1176 0.16,1177 3.323,1178 0.031,1179 6.502,1180 0.363,1181 4.048,1182 0.107,1183 3.081,1184 4.491,1185 0.86,1186 10.175,1187 2.984,1188 2.011,1189 1.984,1190 2.076,1191 2.129,1192 1.205,1193 2.114,1194 1.886,1195 1.875,1196 1.967,1197 2.007,1198 1.126,1199 1.993,1200 1.433,1201 1.371,1202 1.617,1203 1.693,1204 0.69,1205 1.67,1206 1.269,1207 1.216,1208 1.584,1209 1.577,1210 0.584,1211 1.577,1212 1.209,1213 1.139,1214 1.571,1215 1.526,1216 0.573,1217 1.541,1218 1.165,1219 1.078,1220 1.511,1221 1.472,1222 0.527,1223 1.494,1224 1.068,1225 0.986,1226 1.381,1227 1.386,1228 0.393,1229 1.371,1230 1.031,1231 0.935,1232 1.293,1233 1.319,1234 0.204,1235 1.35,1236 4.043,1238 5.361,1240 6.889,1242 8.515,1244 10.193,1246 4.798,1250 11.566,1252 0.519,1253 3.34,1254 16.113,1262 29.466,1263 77.404,1264 169.918,1265 199.417,1266 219.781,1267 224.536,1268 234.801,1269 38.792,1270 7.255,1271 117.54,1272 117.54,1273 18,1274 12.446,1275 4.17,1276 3.248,1277 44.446,1278 102,1279 90,1280 0.218,1281 183.793,1282 310.43,1283 440.216,1284 13420,1286 18.681,1287 0.719,1288 0.572,1289 18.681,1290 14.868,1291 12.55,1292 0.448,1293 0.282,1294 7.714,1295 11.821,1296 7.449,1297 6.258,1298 12.55,1299 7.909,1300 10.971,1301 0.281,1302 0.143,1303 10.971,1304 5.572,1305 9.43,1306 0.181,1307 0.077,1308 9.43,1309 4.012,1310 7.884,1311 0.118,1312 0.04,1313 7.884,1314 2.709,1315 6.374,1316 0.075,1317 0.021,1318 6.374,1319 1.823,1320 0.343,1321 80.491,1322 0.234,1323 25.084,1324 0.593,1325 134,1326 435.454,1327 150.74,1328 412.418,1329 565.99,1330 388,1331 158,1332 417.65,1333 174.574,1334 426.055,1335 617.6,1336 395,1337 5.796}
{0 CHEMBL114839,1 1.391,2 10.208,3 3.861,4 14.903,5 100.749,6 7.099,7 0.63,8 3.908,9 4.051,10 3.439,11 3.474,12 4.978,13 3.443,14 4.428,15 4.61,16 3.804,17 3.895,18 5.458,19 3.828,20 4.705,21 4.93,22 3.854,23 4.041,24 5.622,25 3.946,26 4.735,27 4.971,28 3.727,29 3.994,30 5.665,31 3.863,32 4.738,33 5.017,34 3.526,35 3.874,36 5.605,37 3.713,38 4.591,39 4.894,40 3.31,41 3.699,42 5.36,43 3.536,44 4.362,45 4.636,46 3.299,47 3.605,48 5.189,49 3.471,50 4.249,51 4.483,52 3.308,53 3.571,54 5.133,55 3.45,56 0.063,57 0.709,58 9.835,59 3.786,60 10.024,61 5.397,62 0.178,63 1.134,64 17.332,65 7.107,66 21.822,67 10.024,68 0.16,69 1.394,70 24.006,71 8.86,72 22.45,73 13.042,74 0.194,75 1.395,76 25.005,77 9.38,78 31.155,79 13.777,80 0.286,81 1.319,82 26.369,83 9.114,84 37.035,85 13.678,86 0.22,87 1.09,88 23.328,89 7.806,90 28.268,91 11.901,92 0.168,93 0.905,94 17.89,95 6.609,96 21.441,97 9.752,98 0.083,99 0.849,100 15.213,101 6.014,102 14.883,103 8.753,104 5,105 38,106 0.239,107 0.605,108 0.762,109 0.844,110 0.875,111 0.89,112 3.228,113 0.93,114 -5.21,115 -5.1,116 -4.77,119 42.2,121 4,125 1,139 6,140 4,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 13,169 1,170 3,172 3,173 3,175 4,178 16,180 1,182 3,187 5,189 14,191 1,193 1,195 1,196 1,197 1,198 6,200 2,201 8,204 3,205 1,207 1,210 2,211 1,212 6,214 1,215 8,218 3,226 1,229 10,234 2,238 1,239 1,240 1,241 12,243 1,246 4,251 2,254 8,256 2,260 6,265 4,268 2,270 4,273 722,274 16.447,275 16.447,276 16.447,277 16.447,278 16.447,279 14.358,280 20.177,281 9.694,282 16.683,283 13.353,284 13.353,285 13.353,286 13.353,287 13.353,288 10.149,289 24.131,290 4.613,291 13.747,292 4.101,293 1.969,294 1.056,295 0.578,296 0.4,297 0.311,298 3.932,300 1,301 1,302 1,303 544,304 2.449,307 226.72,311 193.163,314 1.458,315 15.012,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 50.5,327 245,328 4.541,329 3.266,330 6.508,331 4.052,332 3.081,333 4.491,334 0.657,335 10.202,336 3.029,337 4.374,338 3.117,339 6.5,340 4.023,341 3.028,342 4.024,344 10.168,345 2.979,346 3.773,347 2.615,348 5.339,349 3.373,350 2.423,351 3.234,353 6.929,354 2.302,355 3.435,356 2.352,357 5.172,358 3.094,359 2.117,360 2.811,362 6.198,363 2.075,364 3.412,365 2.157,366 5.062,367 2.965,368 2.023,369 2.72,371 5.8,372 1.894,373 3.323,374 2.026,375 4.966,376 2.892,377 1.941,378 2.592,380 5.732,381 1.838,382 2.947,383 1.783,384 4.167,385 2.618,386 1.618,387 2.115,389 3.801,390 1.618,391 2.455,392 1.38,393 3.71,394 2.276,395 1.277,396 1.435,398 2.853,399 1.275,400 2.434,401 1.229,402 3.601,403 2.023,404 1.041,405 1.429,407 2.565,408 1.02,409 2.146,410 1.058,411 3.419,412 1.976,413 1,414 1.121,415 2.369,416 0.974,417 1.794,418 0.77,419 3.125,420 1.552,421 0.592,422 0.687,423 1.402,424 0.567,425 1.371,426 0.177,427 2.733,428 0.984,429 0.034,430 0.044,431 0.086,432 0.033,433 0.986,434 -0.173,435 2.569,436 0.603,437 -0.366,438 -0.448,439 -0.925,440 -0.352,441 0.893,442 -0.3,443 2.448,444 0.473,445 -0.459,446 -0.584,448 -1.169,449 -0.427,450 0.669,451 -0.502,452 2.301,453 0.382,454 -0.618,455 -0.73,457 -1.478,458 -0.618,459 11.5,460 0.479,461 0.554,462 0.023,463 33,464 1.375,465 17.5,466 0.729,467 15.5,468 0.646,469 17.993,470 0.75,471 25.1,472 0.558,473 21.568,474 0.899,475 6.147,476 0.256,477 5.556,478 0.232,479 0.07,481 0.348,485 1.167,486 1.113,487 0.874,488 0.903,489 1.242,490 0.864,491 0.538,492 0.991,493 0.848,494 1.03,495 0.398,496 0.984,497 0.957,498 1.109,499 0.959,500 1.041,501 0.746,502 1.007,503 0.784,504 1.222,505 1.095,506 1.269,507 0.703,508 1.226,509 0.9,510 0.959,511 1.073,512 1.07,513 0.936,514 1.087,515 1.04,516 0.765,517 0.942,518 0.814,519 0.915,520 0.858,521 0.774,522 0.702,523 0.863,524 0.807,525 0.755,526 0.838,527 0.689,528 1.093,529 0.951,530 1.116,531 0.735,532 1.072,533 4.5,534 0.103,535 2.667,536 1.5,537 1.493,538 0.444,539 0.283,540 0.236,541 0.209,542 0.177,543 6919,544 15301,545 2.161,546 46.7,547 8,548 8,551 5,555 1.665,556 2.057,557 3.309,558 2.578,560 1,564 62.574,565 1.391,566 3.523,567 4.436,568 4.914,569 5.092,570 5.181,571 2.709,572 4.054,573 4.563,574 3.451,575 952.501,576 7.851,577 11218.6,579 1,581 1,582 247.133,583 1.281,584 4.532,585 0.167,586 0.006,587 0.07,588 0.038,589 0.047,590 0.018,591 0.013,592 0.011,593 0.009,594 0.009,595 0.389,596 0.17,597 1,598 0.49,599 114.344,600 -0.165,601 0.084,602 0.026,603 0.121,604 -0.193,605 0.1,606 0.311,607 0.106,608 0.066,609 0.004,610 0.319,611 0.007,612 -0.063,613 -0.086,614 -0.013,615 -0.035,616 0.01,617 -0.021,618 0.077,619 -0.232,620 -0.145,621 -0.267,622 0.127,623 -0.237,624 0.079,625 -0.018,626 -0.083,627 -0.103,628 0.013,629 -0.11,630 -0.094,631 0.132,632 0.064,633 0.155,634 -0.079,635 0.132,636 0.033,637 0.227,638 0.111,639 0.201,640 0.017,641 0.171,642 0.011,643 -0.123,644 -0.014,645 -0.081,646 0.004,647 -0.055,648 1.461,649 1.965,650 0.833,651 17.924,652 0.991,653 1.129,654 3.978,655 15.822,656 0.669,657 3.332,658 3.664,659 3.951,660 4.234,661 4.477,662 4.466,663 4.543,664 4.635,665 4.779,666 4.754,667 6.008,668 0.629,669 319.45,670 3.332,671 4.875,672 5.733,673 6.616,674 7.487,675 8.372,676 9.247,677 10.131,678 11.008,679 11.891,680 11.1,684 2,685 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,712 1,718 45,719 17,720 2,721 27,723 48,724 19,725 14,726 6,727 6,729 4,730 6,736 4,739 4,741 14,742 5,754 1,757 21,758 5,759 5,760 5,764 5,769 0.5,776 1,781 4,785 2,802 2,810 24,811 2,816 5,817 1,836 11.667,837 7.817,838 5.194,839 2.763,840 3.475,841 1.463,842 1.051,843 3.987,844 10.981,845 3.597,846 4.248,847 4.869,848 5.478,849 6.056,850 6.282,851 6.603,852 6.947,853 7.355,854 7.403,855 0.857,856 39,857 8.844,859 3.782,860 7.556,861 17.309,863 14.653,865 2.056,866 49.333,869 1,870 188.338,871 90.359,872 117.376,877 90.359,878 188.338,879 117.376,881 12.244,882 122.652,883 51.582,884 17.031,885 4.227,886 188.338,888 188.338,889 207.735,893 188.338,897 16.287,898 139.866,899 51.582,901 188.338,902 117.376,903 90.359,906 188.338,907 33.501,908 56.857,909 18.011,910 99.365,911 188.338,912 117.376,913 90.359,915 0.583,916 0.345,917 0.196,918 0.108,919 20,920 8,921 0.063,922 3,923 2,924 1.2,925 3.693,926 199.238,927 0.2,928 20,929 110.039,933 15.218,934 6.289,935 3.051,936 1.59,937 117.376,938 12.554,939 8.248,943 6.041,945 83.805,946 396.073,947 35.5,956 44.578,957 50.813,958 0.253,959 0.641,960 0.808,961 0.895,962 0.927,963 0.943,964 4.83,965 1.277,966 5.714,967 3.801,968 4.344,969 4.934,970 0.623,971 6.524,972 4.29,973 6.046,974 1.041,975 7.268,976 2.853,977 3.892,978 4.808,980 7.402,981 3.807,982 7.363,983 1,984 8.921,985 2.565,986 5.932,987 7.208,988 0.317,989 10.513,990 5.834,991 8.718,992 0.592,993 10.634,994 2.369,995 6.293,996 7.903,998 12.23,999 6.175,1000 10.104,1001 0.034,1002 12.386,1003 1.402,1004 7.8,1005 9.785,1006 0.149,1007 14.848,1008 7.669,1009 11.514,1010 -0.366,1011 14.165,1012 0.086,1013 8.558,1014 10.878,1016 16.917,1017 8.413,1018 12.942,1019 -0.459,1020 15.964,1021 -0.925,1022 9.837,1023 12.538,1024 0.067,1025 19.357,1026 9.679,1027 3.081,1028 -0.618,1029 17.778,1030 -1.169,1031 10.789,1032 13.831,1034 21.573,1035 10.618,1036 3.028,1037 10.202,1038 19.604,1039 -1.478,1040 11.971,1041 15.393,1042 0.03,1043 23.943,1044 11.787,1045 2.423,1046 10.168,1047 21.439,1048 4.491,1049 13.013,1050 16.785,1052 26.22,1053 12.815,1054 2.117,1055 6.929,1056 23.281,1057 4.024,1058 14.155,1059 18.302,1060 0.013,1061 28.562,1062 13.943,1063 2.023,1064 6.198,1065 25.13,1066 3.234,1067 15.238,1068 19.743,1070 30.864,1071 15.011,1072 1.941,1073 5.8,1074 26.983,1075 2.811,1076 16.364,1077 21.243,1078 0.006,1079 33.194,1080 16.123,1081 1.618,1082 5.732,1083 28.84,1084 2.72,1085 17.465,1086 22.708,1088 35.507,1089 17.209,1090 6448,1091 9743,1092 18.493,1093 30.12,1094 40.456,1095 40.627,1096 41.213,1097 40.366,1098 40.35,1099 53.407,1100 1.315,1101 116.213,1102 39.211,1103 5.487,1104 5.266,1105 6.197,1106 5.124,1107 5.081,1108 7.491,1109 1.315,1110 17.096,1111 5.029,1112 8.834,1113 1.498,1114 1.505,1115 1.526,1116 1.495,1117 1.494,1118 1.978,1119 0.049,1120 4.304,1121 1.452,1122 4.081,1123 4.117,1124 4.044,1125 3.997,1126 5.308,1127 4.001,1128 3.995,1129 4.027,1130 3.934,1131 3.931,1132 4.982,1133 3.93,1134 3.574,1135 3.645,1136 3.473,1137 3.435,1138 4.754,1139 3.424,1140 3.477,1141 3.543,1142 3.359,1143 3.295,1144 4.679,1145 3.318,1146 3.239,1147 3.314,1148 3.101,1149 3.091,1150 4.255,1151 3.084,1152 3.131,1153 3.236,1154 3.02,1155 2.912,1156 4.064,1157 2.924,1158 3.035,1159 3.132,1160 2.843,1161 2.816,1162 3.931,1163 2.811,1164 2.779,1165 2.868,1166 2.608,1167 2.651,1168 3.758,1169 2.632,1170 0.168,1171 0.121,1172 0.241,1173 0.15,1174 0.114,1175 4.541,1176 0.166,1177 3.266,1178 0.024,1179 6.508,1180 0.378,1181 4.052,1182 0.112,1183 3.081,1184 4.491,1185 0.657,1186 10.202,1187 3.029,1188 2.027,1189 1.999,1190 2.145,1191 2.134,1192 1.45,1193 2.129,1194 1.989,1195 1.962,1196 2.065,1197 2.081,1198 1.185,1199 2.089,1200 1.573,1201 1.513,1202 1.801,1203 1.751,1204 1.028,1205 1.766,1206 1.419,1207 1.355,1208 1.582,1209 1.64,1210 0.783,1211 1.636,1212 1.235,1213 1.17,1214 1.484,1215 1.438,1216 0.636,1217 1.461,1218 1.067,1219 0.99,1220 1.384,1221 1.386,1222 0.396,1223 1.371,1224 1.024,1225 0.928,1226 1.294,1227 1.294,1228 0.324,1229 1.334,1230 0.802,1231 0.735,1232 1.122,1233 1.009,1234 0.205,1235 1.04,1236 4.007,1238 5.333,1240 6.868,1242 8.502,1244 10.187,1250 11.61,1252 5.788,1253 3.503,1262 28.321,1263 62.574,1264 158.53,1265 199.624,1266 221.133,1267 229.133,1268 233.133,1269 28.583,1270 7.506,1271 89.85,1272 89.85,1273 24,1274 12.426,1275 4.17,1276 3.248,1277 34.017,1278 89,1279 76,1280 0.19,1281 174.004,1282 289,1283 416.329,1284 19727,1286 16.518,1287 0.688,1288 0.565,1289 16.518,1290 13.549,1291 11.704,1292 0.433,1293 0.31,1294 8.299,1295 11.434,1296 8.127,1297 6.728,1298 11.704,1299 8.368,1300 10.634,1301 0.28,1302 0.166,1303 10.634,1304 6.314,1305 9.036,1306 0.177,1307 0.093,1308 9.036,1309 4.718,1310 7.913,1311 0.116,1312 0.052,1313 7.913,1314 3.504,1315 6.551,1316 0.075,1317 0.029,1318 6.551,1319 2.543,1320 0.299,1321 72.069,1322 0.233,1323 23.45,1324 0.516,1325 130,1326 298.248,1327 138.104,1328 304.021,1329 432.8,1330 286,1331 154,1332 336.014,1333 161.494,1334 345.238,1335 505.83,1336 327,1337 6.721}
{0 CHEMBL115474,1 1.449,2 9.25,3 2.347,4 5.51,5 83.267,6 7.581,7 0.773,8 3.668,9 3.811,10 3.245,11 3.219,12 4.851,13 3.207,14 4.11,15 4.279,16 3.579,17 3.583,18 5.283,19 3.542,20 4.338,21 4.549,22 3.578,23 3.672,24 5.39,25 3.605,26 4.354,27 4.595,28 3.413,29 3.573,30 5.401,31 3.47,32 4.297,33 4.57,34 3.234,35 3.45,36 5.296,37 3.33,38 4.125,39 4.395,40 3.033,41 3.329,42 5.041,43 3.201,44 3.984,45 4.248,46 2.956,47 3.227,48 4.914,49 3.101,50 3.812,51 4.061,52 2.893,53 3.063,54 4.805,55 2.962,56 0.049,57 0.568,58 6.964,59 2.61,60 9.774,61 3.583,62 0.138,63 0.857,64 11.437,65 4.674,66 17.523,67 6.422,68 0.112,69 1.003,70 15.587,71 5.433,72 18.107,73 7.852,74 0.159,75 0.966,76 16.71,77 5.779,78 27.02,79 8.473,80 0.234,81 0.871,82 16.801,83 5.433,84 30.768,85 8.076,86 0.139,87 0.72,88 14.041,89 4.747,90 22.222,91 7.024,92 0.125,93 0.628,94 12.059,95 4.365,96 18.224,97 6.373,98 0.063,99 0.543,100 9.837,101 3.514,102 12.926,103 5.178,104 5,105 30,106 0.263,107 0.591,108 0.72,109 0.844,110 0.859,111 0.859,112 3.057,113 0.863,114 -4.25,115 -4.18,116 -3.95,119 42.9,125 1,139 8,140 2,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 3,172 3,173 3,175 4,178 8,180 1,182 3,187 5,189 5,191 1,193 1,195 1,196 1,197 1,198 5,200 2,201 2,204 3,205 1,207 1,210 2,211 1,212 4,214 1,215 6,218 3,229 8,234 2,238 1,239 1,240 1,241 6,243 1,246 4,251 2,254 2,256 2,260 4,265 3,270 3,273 466,274 13.585,275 13.585,276 13.585,277 13.585,278 13.585,279 11.497,280 16.037,281 8.156,282 13.821,283 10.888,284 10.888,285 10.888,286 10.888,287 10.888,288 7.817,289 23.348,290 3.93,291 11.283,292 3.68,293 1.875,294 1.164,295 0.479,296 0.4,297 0.4,298 3.741,300 1,301 1,302 1,303 400,304 2.236,307 160.195,311 82.75,314 1.45,315 13.264,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 42.5,327 185,328 4.541,329 3.122,330 6.502,331 4.046,332 3.078,333 4.491,334 0.657,335 10.175,336 2.983,337 3.913,338 2.796,339 5.406,340 3.541,341 2.559,342 3.451,344 7.147,345 2.52,346 3.749,347 2.474,348 5.24,349 3.314,350 2.355,351 3.224,353 6.685,354 2.252,355 3.429,356 2.165,357 5.062,358 2.971,359 2.039,360 2.811,362 5.801,363 1.896,364 3.371,365 2.03,366 4.966,367 2.904,368 1.958,369 2.697,371 5.741,372 1.847,373 2.916,374 1.593,375 3.711,376 2.487,377 1.492,378 2.086,380 3.148,381 1.484,382 2.5,383 1.059,384 3.639,385 2,386 1.008,387 1.5,389 2.565,390 1,391 2.454,392 1,393 3.247,394 1.983,395 1,396 1.434,398 2.136,399 0.98,400 1.907,401 0.881,402 3.166,403 1.632,404 0.687,405 0.81,407 1.615,408 0.648,409 1.368,410 0.169,411 2.721,412 0.966,413 0.022,414 0.029,415 0.055,416 0.021,417 0.976,418 -0.282,419 2.549,420 0.496,421 -0.433,422 -0.562,423 -1.125,424 -0.4,425 0.78,426 -0.335,427 2.392,428 0.409,429 -0.556,430 -0.688,431 -1.318,432 -0.536,433 0.562,434 -0.712,435 2.051,436 0.149,437 -0.815,438 -1.084,439 -2.08,440 -0.782,441 0.5,442 -0.797,443 1.562,444 0.061,445 -0.9,446 -1.204,448 -2.347,449 -0.871,450 0.414,451 -1,452 1.555,454 -1,455 -1.5,457 -2.452,458 -1,459 9.5,460 0.475,461 0.452,462 0.023,463 30.5,464 1.525,465 17.5,466 0.875,467 13,468 0.65,469 11.029,470 0.551,471 20.5,472 0.586,473 19.474,474 0.974,475 6.151,476 0.308,477 3.569,478 0.178,479 0.084,481 0.316,485 1.226,486 1.109,487 0.835,488 0.835,489 1.358,490 0.79,491 0.574,492 0.999,493 0.82,494 1.026,495 0.457,496 0.969,497 1.127,498 1.216,499 1.028,500 1.097,501 0.894,502 1.057,503 0.911,504 1.181,505 1.073,506 1.203,507 0.789,508 1.168,509 0.969,510 0.818,511 1.043,512 0.942,513 1.067,514 0.992,515 1.042,516 0.835,517 1.044,518 0.922,519 1.088,520 0.973,521 0.758,522 0.77,523 0.945,524 0.919,525 0.847,526 0.951,527 0.81,528 1.109,529 0.892,530 1.053,531 0.744,532 0.996,533 4,534 0.062,535 1.778,536 1,537 1.249,538 0.354,539 0.182,540 0.248,541 0.123,542 0.086,543 4058,544 10548,545 2.107,546 42.9,548 10,551 5,555 1.613,556 2,557 3.184,558 2.819,560 1,562 1,564 50.709,565 1.449,566 3.255,567 3.965,568 4.651,569 4.729,570 4.729,571 2.69,572 3.784,573 4.294,574 3.31,575 628.958,576 7.312,577 6456.33,578 1,579 1,581 1,582 179.525,583 1.295,584 4.266,585 0.182,586 0.009,587 0.059,588 0.034,589 0.054,590 0.019,591 0.011,592 0.017,593 0.009,594 0.008,595 0.402,596 0.33,597 1,598 0.548,599 89.233,600 -0.232,601 0.065,603 0.133,604 -0.344,605 0.105,606 0.319,607 0.102,608 0.043,609 -0.036,610 0.273,611 -0.034,612 -0.153,613 -0.184,614 -0.105,615 -0.131,616 -0.095,617 -0.115,618 0.059,619 -0.21,620 -0.109,621 -0.237,622 0.125,623 -0.204,624 0.074,625 0.121,626 -0.032,627 0.013,628 -0.006,629 -0.018,630 -0.151,631 0.081,632 -0.049,633 0.069,634 -0.191,635 0.032,636 0.041,637 0.138,638 0.039,639 0.095,640 -0.022,641 0.072,642 0.02,643 -0.184,644 0.08,645 -0.05,646 0.108,647 0.01,648 1.472,649 1.874,650 0.8,651 15.1,652 0.998,653 1.131,654 3.015,655 9.091,656 0.681,657 3.135,658 3.434,659 3.664,660 3.912,661 4.143,662 4.094,663 4.143,664 4.22,665 4.317,666 4.234,667 5.405,668 0.65,669 265.35,670 3.135,671 4.654,672 5.485,673 6.347,674 7.195,675 8.062,676 8.918,677 9.788,678 10.649,679 11.521,680 14.3,684 2,685 1,690 2,694 2,695 8,696 2,700 4,702 17,711 2,712 1,718 35,719 17,720 2,721 22,723 37,724 15,725 14,726 4,727 8,729 3,730 4,741 14,742 1,753 1,754 1,757 15,758 5,759 5,760 5,764 5,769 0.667,776 1,781 3,785 1,802 2,810 20,811 2,816 1,817 1,836 10,837 5.983,838 4.389,839 1.86,840 3.277,841 1.489,842 1.039,843 3.396,844 9.977,845 3.45,846 4.094,847 4.694,848 5.301,849 5.895,850 6.082,851 6.417,852 6.776,853 7.181,854 7.162,855 1,856 29,857 7.31,859 3.053,860 7.7,861 13.908,863 11.189,865 2.2,866 44,867 0.001,870 117.711,871 92.802,872 117.376,877 92.802,878 117.711,879 117.376,881 2.106,882 141.604,883 51.582,884 10.659,885 4.227,886 117.711,888 117.711,889 210.178,893 117.711,897 6.149,898 152.448,899 51.582,901 117.711,902 117.376,903 92.802,906 117.711,907 16.992,908 75.81,909 18.011,910 99.365,911 117.711,912 117.376,913 92.802,915 0.576,916 0.327,917 0.179,918 0.1,919 15,920 6,921 0.081,922 3,923 1,924 1.125,925 3.336,926 146.888,927 0.125,928 16,929 82.439,933 12.696,934 5.35,935 2.833,936 1.553,937 117.376,938 15.972,939 8.133,943 2.784,945 83.805,946 327.889,947 30.5,956 34.927,957 39.568,958 0.282,959 0.635,960 0.773,961 0.907,962 0.922,963 0.922,964 4.647,965 1,966 5.451,967 2.565,968 4.111,969 4.779,970 0.623,971 6.213,972 4.042,973 5.862,974 0.687,975 6.974,976 2.136,977 3.611,978 4.559,980 6.986,981 3.498,982 7.164,983 0.022,984 8.595,985 1.615,986 5.652,987 7.043,988 0.317,989 10.075,990 5.52,991 8.503,992 -0.433,993 10.273,994 0.055,995 5.943,996 7.644,998 11.689,999 5.77,1000 9.871,1001 -0.556,1002 11.99,1003 -1.125,1004 7.459,1005 9.595,1006 0.149,1007 14.297,1008 7.269,1009 11.262,1010 -0.815,1011 13.734,1012 -1.318,1013 8.149,1014 10.626,1016 16.298,1017 7.922,1018 12.672,1019 -0.9,1020 15.5,1021 -2.08,1022 9.432,1023 12.332,1024 0.067,1025 18.73,1026 9.186,1027 3.078,1028 -1,1029 17.282,1030 -2.347,1031 10.333,1032 13.597,1034 20.911,1035 10.051,1036 2.559,1037 10.175,1038 19.08,1039 -2.452,1040 11.513,1041 15.188,1042 0.03,1043 23.275,1044 11.209,1045 2.355,1046 7.147,1047 20.889,1048 4.491,1049 12.523,1050 16.574,1052 25.535,1053 12.184,1054 2.039,1055 6.685,1056 22.709,1057 3.451,1058 13.661,1059 18.113,1060 0.013,1061 27.873,1062 13.295,1063 1.958,1064 5.801,1065 24.537,1066 3.224,1067 14.726,1068 19.559,1070 30.166,1071 14.326,1072 1.492,1073 5.741,1074 26.373,1075 2.811,1076 15.849,1077 21.075,1078 0.006,1079 32.494,1080 15.419,1081 1.008,1082 3.148,1083 28.215,1084 2.697,1085 16.942,1086 22.551,1088 34.802,1089 16.478,1090 3910,1091 6409,1092 14.909,1093 23.836,1094 32.605,1095 32.504,1096 32.785,1097 32.418,1098 32.398,1099 45.063,1100 1.315,1101 90.134,1102 31.26,1103 5.36,1104 5.122,1105 6.304,1106 5.118,1107 5.078,1108 7.491,1109 1.315,1110 17.069,1111 4.983,1112 7.675,1113 1.482,1114 1.477,1115 1.49,1116 1.474,1117 1.473,1118 2.048,1119 0.06,1120 4.097,1121 1.421,1122 4.07,1123 4.106,1124 4.038,1125 3.975,1126 5.308,1127 3.985,1128 3.899,1129 3.934,1130 3.827,1131 3.838,1132 4.982,1133 3.831,1134 3.513,1135 3.585,1136 3.447,1137 3.304,1138 4.775,1139 3.334,1140 3.215,1141 3.297,1142 3.08,1143 3.041,1144 4.691,1145 3.039,1146 3.129,1147 3.236,1148 3.016,1149 2.896,1150 4.254,1151 2.913,1152 2.854,1153 2.925,1154 2.694,1155 2.735,1156 3.932,1157 2.715,1158 2.823,1159 2.905,1160 2.687,1161 2.625,1162 3.749,1163 2.638,1164 2.679,1165 2.792,1166 2.483,1167 2.39,1168 3.674,1169 2.404,1170 0.206,1171 0.142,1172 0.296,1173 0.184,1174 0.14,1175 4.541,1176 0.204,1177 3.122,1178 0.03,1179 6.502,1180 0.462,1181 4.046,1182 0.136,1183 3.078,1184 4.491,1185 0.657,1186 10.175,1187 2.983,1188 2.012,1189 1.984,1190 2.083,1191 2.129,1192 1.202,1193 2.115,1194 1.901,1195 1.872,1196 2.022,1197 1.989,1198 1.122,1199 2.003,1200 1.429,1201 1.364,1202 1.584,1203 1.677,1204 0.682,1205 1.657,1206 1.194,1207 1.123,1208 1.439,1209 1.425,1210 0.399,1211 1.439,1212 1.048,1213 0.969,1214 1.294,1215 1.386,1216 0.218,1217 1.371,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.209,1223 1.107,1224 0.794,1225 0.71,1226 1.087,1227 1.033,1228 0.006,1229 1.055,1230 0.639,1231 0.522,1232 0.983,1233 0.962,1235 0.983,1236 3.807,1238 5.106,1240 6.608,1242 8.205,1244 9.854,1250 11.454,1252 0.752,1253 3.353,1262 22.741,1263 50.709,1264 113.915,1265 138.77,1266 162.77,1267 165.525,1268 165.525,1269 22.133,1270 6.7,1271 89.85,1272 89.85,1273 18,1274 12.065,1275 4.17,1276 3.248,1277 30.133,1278 65,1279 60,1280 0.231,1281 143.028,1282 232.16,1283 340.748,1284 6718,1286 13.949,1287 0.697,1288 0.544,1289 13.949,1290 10.875,1291 9.72,1292 0.442,1293 0.288,1294 6.258,1295 9.451,1296 6.126,1297 5.112,1298 9.72,1299 6.328,1300 8.738,1301 0.291,1302 0.151,1303 8.738,1304 4.538,1305 7.075,1306 0.186,1307 0.081,1308 7.075,1309 3.082,1310 5.981,1311 0.122,1312 0.042,1313 5.981,1314 2.081,1315 4.853,1316 0.078,1317 0.023,1318 4.853,1319 1.403,1320 0.361,1321 60.17,1322 0.259,1323 20.094,1324 0.63,1325 104,1326 268.248,1327 112.104,1328 273.643,1329 383.7,1330 256,1331 120,1332 294.014,1333 127.494,1334 302.43,1335 437.75,1336 285,1337 6.181}
{0 CHEMBL115788,1 1.705,2 10.862,3 1.3,4 1.69,5 107.244,6 7.813,7 0.548,8 4.05,9 4.169,10 3.639,11 3.461,12 5.29,13 3.493,14 4.542,15 4.719,16 3.979,17 3.81,18 5.715,19 3.832,20 4.637,21 4.765,22 4.16,23 4.016,24 5.84,25 4.031,26 4.884,27 5.049,28 4.208,29 4.129,30 6.119,31 4.103,32 5.058,33 5.281,34 4.063,35 4.118,36 6.153,37 4.071,38 4.949,39 5.163,40 3.947,41 4.027,42 6.115,43 3.958,44 4.89,45 5.146,46 3.83,47 3.933,48 5.961,49 3.846,50 4.793,51 5.05,52 3.806,53 3.779,54 5.991,55 3.719,56 0.147,57 0.766,58 9.97,59 3.898,60 14.904,61 5.122,62 0.603,63 1.11,64 20.1,65 6.381,66 44.736,67 8.333,68 0.482,69 1.35,70 18.852,71 7.097,72 27.54,73 9.406,74 0.659,75 1.562,76 26.088,77 9.745,78 51.535,79 13.058,80 0.993,81 1.595,82 36.33,83 9.721,84 84.65,85 13.974,86 1.019,87 1.417,88 32.214,89 9.707,90 83.369,91 13.467,92 0.722,93 1.292,94 31.942,95 9.571,96 73.076,97 14.282,98 0.831,99 1.114,100 29.94,101 8.36,102 99.07,103 12.478,104 66,105 44,106 0.286,107 0.641,108 0.758,109 0.78,110 0.789,111 0.816,112 3.408,113 0.834,114 -2.48,115 -2.5,116 -2.45,119 37.3,120 1,124 3,125 1,139 2,140 3,141 4,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,166 3,169 3,170 9,172 3,173 3,175 1,178 4,180 1,181 2,182 6,187 1,191 1,192 5,193 12,195 3,196 3,197 1,198 3,200 2,201 2,204 3,205 1,206 1,207 1,212 1,215 2,218 1,220 5,221 6,223 1,224 1,226 2,229 4,231 2,233 1,234 3,245 4,246 9,248 2,249 2,251 2,256 2,259 1,260 2,273 1281,274 19.566,275 19.566,276 19.566,277 19.566,278 19.566,279 17.379,280 28.583,281 11.116,282 20.427,283 14.991,284 14.991,285 14.991,286 14.991,287 14.991,288 11.449,289 39.732,290 4.854,291 16.055,292 3.967,293 1.849,294 1.153,295 1.02,296 0.966,297 0.804,298 4.085,301 1,302 1,303 657,304 3.606,307 260.348,311 137.736,314 1.532,315 35.022,318 1,319 0.83,320 1,321 1,323 1,324 1,325 0.83,326 65,327 315,328 4.656,329 3.445,330 6.838,331 4.192,332 3.22,333 4.616,334 1.23,335 11.245,336 3.135,337 4.444,338 3.324,339 6.554,340 4.042,341 3.097,342 4.121,343 0.86,344 10.384,345 2.921,346 3.968,347 3.18,348 6.106,349 3.647,350 2.71,351 3.428,352 0.86,353 8.897,354 2.537,355 3.773,356 2.7,357 5.754,358 3.393,359 2.446,360 3.091,361 0.86,362 7.69,363 2.31,364 3.452,365 2.555,366 5.19,367 2.973,368 2.061,369 2.86,370 0.521,371 6.118,372 1.901,373 3.372,374 2.448,375 5.097,376 2.972,377 2.039,378 2.695,380 5.916,381 1.867,382 3.355,383 2.184,384 5.01,385 2.896,386 1.97,387 2.604,389 5.795,390 1.817,391 2.867,392 2.05,393 4.48,394 2.473,395 1.514,396 1.906,398 4.204,399 1.444,400 2.695,401 1.972,402 4.176,403 2.267,404 1.315,405 1.755,407 3.392,408 1.247,409 2.199,410 1.639,411 3.684,412 1.92,413 1.076,414 1.144,415 2.173,416 0.898,417 1.977,418 1.277,419 3.124,420 1.53,421 0.513,422 0.683,423 1.036,424 0.511,425 1.576,426 0.961,427 2.859,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.51,434 0.916,435 2.823,436 1.175,437 0.324,438 0.349,439 0.413,440 0.272,441 1.38,442 0.538,443 2.682,444 1.025,445 0.04,446 0.055,448 0.069,449 0.039,450 1.194,451 0.117,452 2.552,453 0.837,454 -0.115,455 -0.141,457 -0.295,458 -0.109,459 13.233,460 0.456,461 0.746,462 0.026,463 40.5,464 1.397,465 20.5,466 0.707,467 20,468 0.69,469 22.831,470 0.787,471 32.367,472 0.635,473 33.988,474 1.172,475 8.487,476 0.293,477 5.439,478 0.188,479 0.237,481 0.408,485 0.949,486 1.531,487 0.767,488 1.246,489 0.851,490 0.992,491 1.172,492 0.721,493 0.737,494 0.606,495 0.74,496 0.585,497 0.862,498 1.406,499 0.86,500 1.177,501 0.721,502 1.031,503 0.753,504 1.285,505 0.99,506 1.385,507 0.816,508 1.279,509 1.355,510 0.965,511 1.211,512 0.958,513 1.225,514 1.028,515 1.104,516 0.904,517 1.202,518 1.07,519 1.075,520 1.152,521 0.819,522 0.973,523 0.881,524 1.01,525 1.068,526 0.969,527 0.873,528 0.797,529 0.77,530 0.829,531 1.27,532 0.797,533 6.5,534 0.206,535 3.778,536 2.875,537 2.693,538 1.222,539 0.73,540 0.557,541 0.34,542 0.334,543 9423,544 30408,545 1.973,546 43.1,547 3,548 13,550 2,551 4,555 1.723,556 1.794,557 3.383,558 1.731,559 1,560 1,564 86.966,565 1.705,566 3.823,567 4.52,568 4.652,569 4.706,570 4.868,571 2.823,572 4.582,573 4.833,574 3.532,575 1433.92,576 8.433,577 18974.2,579 1,582 289.294,583 1.556,584 4.756,585 0.21,586 0.009,587 0.086,588 0.055,589 0.053,590 0.028,591 0.02,592 0.016,593 0.01,594 0.012,595 0.499,596 0.17,597 0.88,598 1.057,599 145.782,600 -0.126,601 -0.267,602 0.038,603 -0.14,604 -0.138,605 -0.023,606 -0.071,607 0.365,608 0.205,609 0.405,610 0.034,611 0.366,612 0.015,613 -0.175,614 -0.034,615 -0.083,616 -0.053,617 -0.064,618 0.129,619 -0.162,620 -0.111,621 -0.323,622 0.073,623 -0.295,624 -0.272,625 0.011,626 -0.215,627 -0.008,628 -0.215,629 -0.077,630 -0.037,631 0.064,632 -0.218,633 -0.084,634 -0.01,635 -0.178,636 0.034,637 -0.085,638 0.123,639 -0.006,640 0.038,641 0.072,642 0.149,643 0.054,644 0.277,645 0.139,646 0.16,647 0.218,648 1.61,649 4.877,650 0.552,651 24.535,652 1.019,653 1.14,654 1.247,655 1.554,656 0.646,657 3.466,658 3.807,659 4.127,660 4.407,661 4.615,662 4.691,663 4.745,664 4.804,665 4.852,666 4.875,667 6.346,668 0.631,669 398.47,670 3.466,671 5.017,672 5.889,673 6.788,674 7.676,675 8.578,676 9.47,677 10.374,678 11.267,679 12.171,680 11.8,684 2,687 1,690 3,694 2,695 3,696 3,700 8,702 17,711 2,716 3,718 51,719 18,720 1,721 31,723 53,724 19,725 13,726 4,727 2,729 3,730 4,734 1,741 14,742 5,744 1,748 1,749 1,754 1,757 22,758 10,759 4,760 10,764 6,769 0.667,770 4,775 1,776 1,781 3,785 1,791 1,802 2,806 4,810 29,811 2,816 1,818 3,821 1,829 7.8,832 1,834 3,836 16.167,837 10.467,838 6.694,839 2.547,840 3.34,841 1.45,842 0.956,843 6.249,844 10.76,845 3.726,846 4.369,847 5.017,848 5.634,849 6.197,850 6.511,851 6.822,852 7.155,853 7.494,854 7.655,855 1,856 52,857 10.621,859 4.384,860 7.937,861 19.64,863 15.206,865 2.437,866 70.667,870 211.88,871 115.949,872 119.275,874 58.145,877 115.949,878 270.024,879 119.275,880 41.474,881 5.23,882 84.747,883 110.039,884 71.194,885 4.227,886 188.338,888 211.88,889 235.224,890 58.145,893 213.595,894 58.145,897 25.002,898 158.15,899 50.357,901 211.88,902 177.42,903 115.949,906 211.88,907 35.479,908 83.594,910 174.296,911 211.88,912 177.42,913 115.949,915 0.577,916 0.37,917 0.212,918 0.112,919 20,920 11,921 0.113,922 6,923 1,924 1.125,925 3.786,926 257.827,927 0.125,928 16,929 130.127,933 20.892,934 8.674,935 3.993,936 1.008,937 177.42,938 5.021,939 12.422,943 3.771,945 65.794,946 505.248,947 40.5,951 11.877,952 0.715,956 51.989,957 58.149,958 0.301,959 0.674,960 0.797,961 0.82,962 0.83,963 0.858,964 4.972,965 1.514,966 5.9,967 5.795,968 4.489,969 5.056,970 2.182,971 6.767,972 4.367,973 6.207,974 1.315,975 7.502,976 4.204,977 4.205,978 5.047,979 0.325,980 7.789,981 4.048,982 7.543,983 1.076,984 9.2,985 3.392,986 6.142,987 7.359,988 2.118,989 10.898,990 5.929,991 8.918,992 0.513,993 10.954,994 2.173,995 6.648,996 8.146,997 0.74,998 12.702,999 6.402,1000 10.323,1001 0.396,1002 12.742,1003 1.036,1004 8.079,1005 9.971,1006 2.175,1007 15.349,1008 7.791,1009 11.749,1010 0.324,1011 14.553,1012 0.603,1013 8.94,1014 11.131,1015 1.168,1016 17.484,1017 8.621,1018 13.193,1019 0.04,1020 16.381,1021 0.413,1022 10.185,1023 12.767,1024 2.332,1025 19.969,1026 9.831,1027 3.22,1028 -0.115,1029 18.223,1030 0.069,1031 11.206,1032 14.111,1033 1.605,1034 22.248,1035 10.82,1036 3.097,1037 11.245,1038 20.075,1039 -0.295,1040 12.384,1041 15.669,1042 2.564,1043 24.674,1044 11.966,1045 2.71,1046 10.384,1047 21.936,1048 4.616,1049 13.475,1050 17.102,1051 2.049,1052 27.018,1053 13.027,1054 2.446,1055 8.897,1056 23.804,1057 4.121,1058 14.63,1059 18.63,1060 2.851,1061 29.424,1062 14.152,1063 2.061,1064 7.69,1065 25.678,1066 3.428,1067 15.754,1068 20.105,1069 2.494,1070 31.798,1071 15.245,1072 2.039,1073 6.118,1074 27.557,1075 3.091,1076 16.903,1077 21.624,1078 3.176,1079 34.198,1080 16.365,1081 1.97,1082 5.916,1083 29.44,1084 2.86,1085 18.041,1086 23.12,1087 2.938,1088 36.587,1089 17.475,1090 9409,1091 17022,1092 19.709,1093 32.943,1094 45.866,1095 48.513,1096 49.616,1097 45.447,1098 45.443,1099 59.518,1100 8.663,1101 135.872,1102 42.483,1103 5.496,1104 5.445,1105 6.38,1106 5.268,1107 5.22,1108 7.616,1109 2.335,1110 18.523,1111 5.135,1112 18.528,1113 1.48,1114 1.565,1115 1.601,1116 1.466,1117 1.466,1118 1.92,1119 0.279,1120 4.383,1121 1.37,1122 4.077,1123 4.116,1124 4.053,1125 3.963,1126 7.453,1127 3.98,1128 3.935,1129 3.95,1130 3.904,1131 3.823,1132 5.321,1133 3.84,1134 3.583,1135 3.638,1136 3.521,1137 3.38,1138 4.982,1139 3.408,1140 3.386,1141 3.44,1142 3.312,1143 3.121,1144 4.972,1145 3.159,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.804,1151 3.026,1152 3.22,1153 3.293,1154 3.05,1155 2.943,1156 4.58,1157 2.949,1158 3.166,1159 3.263,1160 3.012,1161 2.904,1162 4.465,1163 2.914,1164 3.126,1165 3.202,1166 2.921,1167 2.859,1168 4.266,1169 2.86,1170 0.15,1171 0.111,1172 0.221,1173 0.135,1174 0.104,1175 4.656,1176 0.149,1177 3.445,1178 0.04,1179 6.838,1180 0.363,1181 4.192,1182 0.101,1183 3.22,1184 4.616,1185 1.23,1186 11.245,1187 3.135,1188 1.999,1189 1.969,1190 2.061,1191 2.134,1192 1.237,1193 2.112,1194 1.87,1195 1.858,1196 1.939,1197 2.008,1198 1.073,1199 1.985,1200 1.496,1201 1.442,1202 1.644,1203 1.738,1204 0.755,1205 1.714,1206 1.283,1207 1.224,1208 1.59,1209 1.577,1210 0.584,1211 1.568,1212 1.227,1213 1.163,1214 1.573,1215 1.558,1216 0.572,1217 1.565,1218 1.172,1219 1.088,1220 1.562,1221 1.506,1222 0.561,1223 1.525,1224 1.135,1225 1.047,1226 1.494,1227 1.408,1228 0.553,1229 1.433,1230 1.068,1231 0.992,1232 1.306,1233 1.368,1234 0.212,1235 1.363,1236 4.143,1238 5.476,1240 7.026,1242 8.678,1244 10.383,1246 6.407,1250 11.646,1252 0.237,1254 16.066,1257 1.495,1262 32.202,1263 86.966,1264 194.971,1265 230.5,1266 237.255,1267 240.009,1268 248.274,1269 56.973,1270 7.421,1271 138.71,1272 138.71,1273 18,1274 12.692,1275 4.248,1276 3.392,1277 52.333,1278 111,1279 108,1280 0.234,1281 201.249,1282 344.88,1283 482.807,1284 15638,1286 21.129,1287 0.729,1288 0.572,1289 21.129,1290 16.593,1291 13.926,1292 0.449,1293 0.278,1294 8.388,1295 13.026,1296 8.063,1297 6.784,1298 13.926,1299 8.621,1300 12.132,1301 0.276,1302 0.141,1303 12.132,1304 6.191,1305 10.678,1306 0.175,1307 0.075,1308 10.678,1309 4.584,1310 9.302,1311 0.115,1312 0.038,1313 9.302,1314 3.098,1315 7.132,1316 0.071,1317 0.02,1318 7.132,1319 2.011,1320 0.362,1321 90.031,1322 0.225,1323 27.113,1324 0.656,1325 150,1326 530.147,1327 170.76,1328 497.58,1329 673.79,1330 466,1331 180,1332 489.321,1333 201.343,1334 498.513,1335 725.16,1336 460,1337 6.959}
{0 CHEMBL115804,1 1.591,2 10.68,3 2.668,4 7.118,5 100.428,6 7.379,7 0.63,8 3.934,9 4.064,10 3.486,11 3.397,12 5.105,13 3.4,14 4.423,15 4.608,16 3.822,17 3.751,18 5.538,19 3.742,20 4.555,21 4.718,22 3.917,23 3.925,24 5.644,25 3.895,26 4.741,27 4.944,28 3.858,29 3.988,30 5.797,31 3.899,32 4.818,33 5.075,34 3.73,35 3.96,36 5.745,37 3.836,38 4.758,39 5.014,40 3.59,41 3.84,42 5.663,43 3.723,44 4.594,45 4.846,46 3.454,47 3.73,48 5.533,49 3.606,50 4.556,51 4.851,52 3.4,53 3.58,54 5.407,55 3.465,56 0.059,57 0.697,58 9.752,59 3.686,60 11.439,61 5.05,62 0.334,63 1.032,64 18.039,65 6.069,66 28.671,67 8.234,68 0.189,69 1.227,70 19.336,71 6.91,72 18.412,73 9.633,74 0.412,75 1.353,76 24.784,77 8.873,78 37.957,79 12.662,80 0.339,81 1.357,82 28.34,83 9.692,84 38.846,85 14.326,86 0.497,87 1.189,88 27.908,89 8.663,90 42.793,91 12.603,92 0.303,93 1.073,94 22.663,95 7.356,96 35.711,97 10.889,98 0.308,99 0.935,100 23.512,101 7.182,102 30.49,103 10.941,104 30,105 38,106 0.273,107 0.624,108 0.763,109 0.843,110 0.851,111 0.873,112 3.267,113 0.863,114 -3.71,115 -3.68,116 -3.5,119 39.1,124 3,125 1,139 6,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 10,172 3,173 3,175 1,178 5,180 1,182 8,187 1,189 3,191 1,192 2,193 5,195 1,196 1,197 1,198 3,200 2,201 2,204 3,205 1,206 2,207 1,209 1,210 1,212 3,215 4,218 3,220 1,221 2,229 6,234 4,236 1,237 1,239 1,241 4,243 1,246 4,251 1,256 1,259 2,260 6,262 1,263 1,265 3,270 3,273 868,274 16.773,275 16.773,276 16.773,277 16.773,278 16.773,279 14.737,280 23.693,281 9.65,282 17.403,283 13.175,284 13.175,285 13.175,286 13.175,287 13.175,288 9.973,289 31.969,290 4.409,291 14.003,292 3.933,293 1.893,294 1.082,295 0.614,296 0.571,297 0.441,298 3.946,300 1,301 1,302 1,303 565,304 3.162,307 216.063,311 112.561,314 1.558,315 19.293,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54.5,327 267,328 4.55,329 3.271,330 6.521,331 4.07,332 3.104,333 4.495,334 0.916,335 10.241,336 3.002,337 4.278,338 3.126,339 6.22,340 3.892,341 2.93,342 3.915,343 0.86,344 9.324,345 2.818,346 3.914,347 2.89,348 5.928,349 3.575,350 2.638,351 3.33,352 0.86,353 8.268,354 2.469,355 3.551,356 2.64,357 5.223,358 3.164,359 2.23,360 2.875,361 0.172,362 6.51,363 2.075,364 3.446,365 2.239,366 5.065,367 3.011,368 2.091,369 2.811,371 5.906,372 1.918,373 3.416,374 2.088,375 5.011,376 2.935,377 1.99,378 2.757,380 5.793,381 1.879,382 2.931,383 1.988,384 4.469,385 2.557,386 1.614,387 2.07,389 4.395,390 1.511,391 2.541,392 1.414,393 4.007,394 2.189,395 1.233,396 1.552,398 3.216,399 1.175,400 2.425,401 1.109,402 3.706,403 1.974,404 1.002,405 1.398,407 2.565,408 0.972,409 1.803,410 1.056,411 3.06,412 1.517,413 0.614,414 0.705,415 1.146,416 0.548,417 1.592,418 0.94,419 2.777,420 1.32,421 0.464,422 0.512,423 0.673,424 0.394,425 1.365,426 0.377,427 2.756,428 0.951,429 0.021,430 0.026,431 0.047,432 0.019,433 1.012,434 0.079,435 2.607,436 0.745,437 -0.175,438 -0.201,439 -0.331,440 -0.16,441 0.958,442 -0.298,443 2.485,444 0.477,445 -0.448,446 -0.578,448 -1.156,449 -0.412,450 0.586,451 -0.453,452 2.214,453 0.156,454 -0.793,455 -0.937,457 -1.942,458 -0.735,459 11.667,460 0.467,461 0.66,462 0.026,463 35.25,464 1.41,465 18.5,466 0.74,467 16.75,468 0.67,469 17.729,470 0.709,471 27.333,472 0.594,473 26.491,474 1.06,475 7.301,476 0.292,477 4.711,478 0.188,479 0.197,481 0.377,485 1.031,486 1.392,487 0.827,488 1.135,489 1.215,490 0.963,491 1.243,492 0.787,493 0.791,494 0.704,495 0.701,496 0.685,497 1.134,498 1.306,499 1.029,500 1.157,501 0.921,502 1.083,503 0.777,504 1.224,505 1.097,506 1.268,507 0.795,508 1.25,509 0.68,510 0.994,511 0.985,512 1.13,513 0.831,514 1.111,515 1.256,516 0.876,517 1.084,518 0.909,519 1.017,520 0.974,521 0.936,522 0.959,523 1.147,524 1.109,525 1.119,526 1.147,527 0.882,528 0.806,529 0.71,530 0.753,531 0.63,532 0.714,533 6,534 0.169,535 3.111,536 1.75,537 1.991,538 1.014,539 0.363,540 0.417,541 0.271,542 0.153,543 6847,544 19251,545 2.015,546 45.7,548 17,551 4,555 1.679,556 1.852,557 3.37,558 1.776,559 1,560 1,564 73.177,565 1.591,566 3.631,567 4.442,568 4.909,569 4.953,570 5.083,571 2.855,572 4.484,573 4.616,574 3.497,575 1049.25,576 7.979,577 12638.3,579 1,581 1,582 254.084,583 1.516,584 4.555,585 0.222,586 0.011,587 0.082,588 0.043,589 0.055,590 0.033,591 0.013,592 0.018,593 0.012,594 0.008,595 0.497,596 0.17,597 1,598 0.942,599 120.58,600 -0.109,601 -0.157,602 0.039,603 -0.063,604 -0.24,605 0.01,606 -0.046,607 0.312,608 0.166,609 0.303,610 0.178,611 0.269,612 -0.182,613 -0.146,614 -0.133,615 -0.113,616 -0.113,617 -0.112,618 0.108,619 -0.176,620 -0.172,621 -0.237,622 0.045,623 -0.257,624 0.051,625 -0.033,626 -0.032,627 -0.128,628 0.002,629 -0.099,630 -0.142,631 0.022,632 -0.075,633 0.071,634 -0.115,635 0.013,636 -0.105,637 0.019,638 -0.186,639 -0.126,640 -0.211,641 -0.157,642 0.024,643 0.025,644 0.315,645 0.221,646 0.186,647 0.305,648 1.492,649 1.973,650 0.64,651 20.726,652 1.005,653 1.135,654 2.482,655 6.161,656 0.653,657 3.332,658 3.664,659 3.932,660 4.174,661 4.419,662 4.454,663 4.477,664 4.543,665 4.595,666 4.615,667 6.11,668 0.625,669 339.44,670 3.332,671 4.875,672 5.727,673 6.608,674 7.477,675 8.361,676 9.235,677 10.119,678 10.995,679 11.88,680 10.9,684 2,686 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,714 1,716 2,718 46,719 17,720 2,721 27,723 48,724 18,725 14,726 6,727 6,729 3,730 4,741 14,742 4,753 1,754 1,757 21,758 7,759 4,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 3,810 25,811 2,816 1,818 2,821 1,829 4.3,834 2,836 13.5,837 9.1,838 5.611,839 2.335,840 3.355,841 1.469,842 0.98,843 5.039,844 10.5,845 3.597,846 4.248,847 4.866,848 5.463,849 6.058,850 6.314,851 6.616,852 6.951,853 7.322,854 7.418,855 1,856 41,857 9.141,859 3.742,860 7.733,861 17.308,863 13.587,865 2.233,866 55.833,869 1,870 200.109,871 114.499,872 102.49,874 22,877 114.499,878 222.109,879 102.49,880 30.162,881 2.106,882 122.652,883 33.571,884 46.27,885 4.227,886 200.109,888 200.109,889 216.989,890 22,893 200.109,894 22,897 6.149,898 177.269,899 33.571,901 200.109,902 124.49,903 114.499,906 200.109,907 27.479,908 90.144,910 121.365,911 200.109,912 124.49,913 114.499,915 0.582,916 0.351,917 0.188,918 0.105,919 18,920 9,921 0.104,922 5,923 1,924 1.125,925 3.614,926 204.457,927 0.125,928 16,929 116.096,933 17.421,934 7.231,935 3.661,936 1.504,937 124.49,938 11.609,939 8.226,943 4.13,945 65.794,946 439.097,947 35.5,956 46.232,957 52.232,958 0.288,959 0.657,960 0.804,961 0.889,962 0.897,963 0.92,964 4.83,965 1.233,966 5.727,967 4.395,968 4.344,969 4.934,970 1.698,971 6.544,972 4.236,973 6.06,974 1.002,975 7.296,976 3.216,977 4.007,978 4.856,979 0.325,980 7.445,981 3.85,982 7.383,983 0.614,984 8.96,985 2.565,986 5.953,987 7.213,988 1.422,989 10.515,990 5.761,991 8.742,992 0.464,993 10.675,994 1.146,995 6.382,996 7.913,997 0.393,998 12.184,999 6.142,1000 10.128,1001 0.021,1002 12.423,1003 0.673,1004 7.824,1005 9.778,1006 1.2,1007 14.78,1008 7.561,1009 11.534,1010 -0.175,1011 14.193,1012 0.047,1013 8.608,1014 10.86,1015 0.384,1016 16.788,1017 8.301,1018 12.956,1019 -0.448,1020 15.979,1021 -0.331,1022 9.848,1023 12.515,1024 1.01,1025 19.205,1026 9.52,1027 3.104,1028 -0.793,1029 17.777,1030 -1.156,1031 10.803,1032 13.797,1033 0.351,1034 21.369,1035 10.435,1036 2.93,1037 10.241,1038 19.585,1039 -1.942,1040 11.961,1041 15.357,1042 0.845,1043 23.715,1044 11.569,1045 2.638,1046 9.324,1047 21.401,1048 4.495,1049 12.996,1050 16.743,1051 0.312,1052 25.952,1053 12.568,1054 2.23,1055 8.268,1056 23.223,1057 3.915,1058 14.122,1059 18.261,1060 0.702,1061 28.271,1062 13.667,1063 2.091,1064 6.51,1065 25.051,1066 3.33,1067 15.197,1068 19.7,1069 0.273,1070 30.543,1071 14.708,1072 1.99,1073 5.906,1074 26.884,1075 2.875,1076 16.311,1077 21.202,1078 0.579,1079 32.853,1080 15.794,1081 1.614,1082 5.793,1083 28.72,1084 2.811,1085 17.405,1086 22.668,1087 0.236,1088 35.144,1089 16.855,1090 6752,1091 11432,1092 17.512,1093 30.029,1094 40.069,1095 40.835,1096 42.123,1097 39.822,1098 39.863,1099 52.888,1100 5.618,1101 116.17,1102 37.561,1103 5.389,1104 5.271,1105 6.079,1106 5.142,1107 5.104,1108 7.495,1109 1.776,1110 17.135,1111 5.002,1112 14.284,1113 1.484,1114 1.512,1115 1.56,1116 1.475,1117 1.476,1118 1.959,1119 0.208,1120 4.303,1121 1.391,1122 4.077,1123 4.113,1124 4.045,1125 3.98,1126 5.308,1127 3.991,1128 3.926,1129 3.946,1130 3.879,1131 3.841,1132 4.982,1133 3.847,1134 3.567,1135 3.638,1136 3.495,1137 3.351,1138 4.919,1139 3.379,1140 3.333,1141 3.396,1142 3.21,1143 3.113,1144 4.701,1145 3.127,1146 3.267,1147 3.338,1148 3.097,1149 2.983,1150 4.577,1151 2.997,1152 3.173,1153 3.258,1154 3.019,1155 2.922,1156 4.294,1157 2.925,1158 3.129,1159 3.236,1160 2.956,1161 2.882,1162 4.172,1163 2.894,1164 2.891,1165 2.993,1166 2.65,1167 2.709,1168 3.95,1169 2.679,1170 0.169,1171 0.121,1172 0.242,1173 0.151,1174 0.115,1175 4.55,1176 0.166,1177 3.271,1178 0.034,1179 6.521,1180 0.379,1181 4.07,1182 0.111,1183 3.104,1184 4.495,1185 0.916,1186 10.241,1187 3.002,1188 2.015,1189 1.987,1190 2.082,1191 2.133,1192 1.228,1193 2.118,1194 1.892,1195 1.875,1196 1.987,1197 2.004,1198 1.126,1199 1.998,1200 1.487,1201 1.42,1202 1.693,1203 1.74,1204 0.787,1205 1.727,1206 1.271,1207 1.208,1208 1.588,1209 1.56,1210 0.586,1211 1.565,1212 1.211,1213 1.135,1214 1.547,1215 1.51,1216 0.566,1217 1.52,1218 1.15,1219 1.062,1220 1.472,1221 1.441,1222 0.473,1223 1.474,1224 1.046,1225 0.964,1226 1.314,1227 1.386,1228 0.389,1229 1.371,1230 0.936,1231 0.841,1232 1.294,1233 1.175,1234 0.19,1235 1.229,1236 4.007,1238 5.333,1240 6.862,1242 8.484,1244 10.156,1246 5.283,1250 11.616,1252 0.661,1254 10.707,1257 2.097,1262 28.751,1263 73.177,1264 167.011,1265 204.309,1266 225.819,1267 227.819,1268 233.819,1269 34.807,1270 7.145,1271 99.52,1272 99.52,1273 18,1274 12.414,1275 4.17,1276 3.248,1277 41.847,1278 92,1279 93,1280 0.225,1281 179.797,1282 301.64,1283 430.465,1284 11555,1286 17.974,1287 0.719,1288 0.579,1289 17.974,1290 14.484,1291 12.012,1292 0.445,1293 0.288,1294 7.598,1295 11.394,1296 7.307,1297 6.148,1298 12.012,1299 7.763,1300 10.78,1301 0.284,1302 0.15,1303 10.78,1304 5.702,1305 9.128,1306 0.183,1307 0.081,1308 9.128,1309 4.069,1310 7.506,1311 0.117,1312 0.043,1313 7.506,1314 2.725,1315 6.075,1316 0.074,1317 0.022,1318 6.075,1319 1.842,1320 0.353,1321 76.353,1322 0.239,1323 24.198,1324 0.62,1325 130,1326 391.031,1327 144.222,1328 377.063,1329 520.14,1330 354,1331 153,1332 387.88,1333 166.974,1334 398.128,1335 575.44,1336 369,1337 7.367}
{0 CHEMBL116183,1 1.579,2 9.333,3 2.59,4 6.708,5 95.753,6 6.926,7 0.48,8 3.954,9 4.084,10 3.436,11 3.369,12 5.073,13 3.364,14 4.467,15 4.658,16 3.742,17 3.68,18 5.551,19 3.657,20 4.622,21 4.817,22 3.831,23 3.789,24 5.678,25 3.767,26 4.607,27 4.785,28 3.847,29 3.873,30 5.689,31 3.825,32 4.787,33 4.978,34 3.838,35 3.958,36 5.79,37 3.893,38 4.866,39 5.078,40 3.756,41 3.964,42 5.81,43 3.873,44 4.877,45 5.132,46 3.668,47 3.925,48 5.79,49 3.777,50 4.847,51 5.15,52 3.468,53 3.801,54 5.665,55 3.621,56 0.059,57 0.671,58 11.079,59 4.044,60 11.422,61 5.743,62 0.312,63 0.944,64 20.067,65 6.676,66 32.246,67 9.246,68 0.585,69 1.059,70 24.13,71 6.936,72 39.754,73 10.146,74 0.338,75 1.142,76 22.543,77 7.766,78 34.636,79 11.048,80 0.423,81 1.239,82 27.905,83 8.944,84 41.795,85 12.683,86 0.538,87 1.274,88 30.781,89 9.307,90 46.777,91 13.496,92 0.623,93 1.233,94 31.226,95 10.139,96 52.422,97 15.213,98 0.493,99 1.14,100 30.795,101 9.258,102 47.628,103 14.786,104 44,105 33,106 0.273,107 0.572,108 0.698,109 0.723,110 0.733,111 0.762,112 3.229,113 0.961,114 -3.24,115 -3.23,116 -3.1,119 35.4,120 3,121 1,125 3,139 2,140 2,141 3,142 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 7,172 3,173 3,175 1,178 4,180 1,181 2,182 6,187 1,189 2,191 1,192 1,193 7,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,207 11,212 3,215 4,218 3,221 3,226 1,229 5,231 1,233 4,236 2,237 2,239 2,241 5,243 2,245 2,248 1,249 1,254 2,260 4,262 2,263 2,265 2,270 2,273 816,274 16.248,275 16.248,276 16.248,277 16.248,278 16.248,279 14.695,280 25.156,281 10.002,282 17.053,283 12.256,284 12.256,285 12.256,286 12.256,287 12.256,288 9.846,289 33.641,290 4.507,291 13.299,292 4.006,293 2.276,294 1.548,295 1.407,296 1.35,297 1.178,298 3.891,300 1,301 1,302 1,303 451,304 3.24,307 170.727,314 1.333,315 24.184,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 53,327 224,328 4.434,329 3.404,330 6.535,331 4.031,332 3.081,333 4.116,334 0.86,335 10.345,336 2.93,337 4.229,338 3.08,339 6.088,340 3.811,341 2.857,342 3.875,343 0.86,344 8.844,345 2.722,346 3.603,347 2.633,348 5.284,349 3.236,350 2.284,351 2.936,352 0.86,353 6.733,354 2.169,355 3.383,356 2.547,357 5.223,358 3.019,359 2.115,360 2.665,361 0.68,362 6.311,363 1.901,364 3.364,365 2.233,366 4.922,367 2.942,368 2.004,369 2.626,371 5.655,372 1.87,373 2.824,374 2.117,375 4.156,376 2.374,377 1.49,378 1.953,380 3.695,381 1.329,382 2.493,383 1.594,384 3.942,385 2.304,386 1.399,387 1.493,389 3.179,390 1.24,391 2.113,392 1.477,393 3.153,394 1.97,395 1.06,396 1.099,398 1.731,399 0.953,400 2.112,401 1.351,402 3.132,403 1.926,404 1,405 1.084,407 1.714,408 0.916,409 1.658,410 0.763,411 3.039,412 1.39,413 0.442,414 0.515,415 0.983,416 0.416,417 1.341,418 0.529,419 2.567,420 1.105,421 0.183,422 0.202,423 0.33,424 0.167,425 1,426 -0.035,427 2.477,428 0.693,429 -0.254,430 -0.299,431 -0.478,432 -0.238,433 0.804,434 -0.155,435 2.359,436 0.502,437 -0.446,438 -0.507,439 -0.837,440 -0.42,441 0.728,442 -0.314,443 2.093,444 0.392,445 -0.515,446 -0.621,448 -1.234,449 -0.467,450 0.439,451 -0.407,452 1.69,453 0.276,454 -0.655,455 -0.715,457 -1.249,458 -0.608,459 11.1,460 0.463,461 0.503,462 0.021,463 30,464 1.25,465 14.5,466 0.604,467 15.5,468 0.646,469 20.226,470 0.843,471 27.9,472 0.581,473 21.891,474 0.912,475 5.896,476 0.246,477 5.687,478 0.237,479 0.207,481 0.315,485 1.003,486 1.452,487 0.893,488 1.293,489 1.211,490 1.09,491 1.166,492 0.962,493 0.83,494 1.009,495 0.738,496 0.892,497 1.398,498 0.957,499 0.941,500 0.817,501 1.088,502 0.803,503 0.94,504 1.163,505 1.022,506 1.246,507 0.951,508 1.157,509 1.489,510 1.154,511 1.2,512 1.176,513 1.187,514 1.154,515 1.552,516 1.096,517 1.288,518 1.134,519 1.242,520 1.174,521 0.679,522 1.055,523 0.974,524 1.16,525 0.546,526 1.15,527 0.543,528 0.988,529 0.807,530 0.995,531 0.628,532 0.967,533 5,534 0.095,535 2.444,536 1.813,537 1.538,538 0.785,539 0.749,540 0.358,541 0.238,542 0.172,543 5341,544 14655,545 1.948,546 50,547 2,548 8,550 1,551 4,553 9,555 1.676,556 1.8,557 3.189,558 1.819,559 1,560 1,564 75.797,565 1.579,566 3.309,567 4.037,568 4.178,569 4.235,570 4.407,571 2.642,572 3.57,573 4.554,574 3.324,575 917.546,576 7.896,577 10801.5,579 1,581 1,582 268.078,583 1.49,584 4.498,585 0.2,586 0.011,587 0.074,588 0.05,589 0.043,590 0.022,591 0.024,592 0.013,593 0.011,594 0.01,595 0.459,596 0.17,597 1,598 1.413,599 113.143,600 -0.09,601 -0.131,602 0.034,603 -0.097,604 -0.214,605 -0.01,606 0.02,607 0.125,608 0.161,609 0.058,610 0.204,611 0.118,612 -0.01,613 0.086,614 0.085,615 0.203,616 -0.034,617 0.171,618 0.047,619 0.011,620 -0.071,621 -0.138,622 0.015,623 -0.122,624 -0.248,625 -0.099,626 -0.21,627 -0.107,628 -0.206,629 -0.148,630 -0.29,631 -0.093,632 -0.287,633 -0.11,634 -0.248,635 -0.191,636 0.207,637 -0.12,638 -0.018,639 -0.138,640 0.235,641 -0.136,642 0.171,643 -0.13,644 0.143,645 -0.032,646 0.148,647 0.032,648 1.507,649 2.217,650 0.5,651 20.833,652 1.005,653 1.141,654 2.01,655 4.04,656 0.625,657 3.258,658 3.526,659 3.761,660 4.025,661 4.234,662 4.248,663 4.277,664 4.331,665 4.344,666 4.277,667 5.609,668 0.594,669 332.45,670 3.258,671 4.762,672 5.587,673 6.454,674 7.307,675 8.182,676 9.046,677 9.923,678 10.79,679 11.668,680 8.3,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 3,718 48,719 12,720 1,721 25,723 49,724 17,725 10,726 4,727 2,729 2,730 2,734 3,739 1,741 10,742 7,753 1,754 1,757 24,758 7,759 4,760 7,764 4,769 1,770 3,776 1,781 2,802 2,806 3,810 24,811 2,816 4,818 3,829 6.3,834 3,836 13.333,837 9.317,838 5.667,839 3.113,840 2.237,841 1.338,842 0.93,843 6.787,844 8.857,845 3.466,846 4.025,847 4.559,848 5.112,849 5.627,850 5.773,851 5.988,852 6.336,853 6.636,854 6.888,855 1,856 36,857 8.816,859 3.499,860 7.757,861 16.689,863 12.611,865 2.257,866 54.167,869 1,870 235.422,871 97.116,872 99.365,874 33,877 97.116,878 268.422,879 99.365,880 26.476,881 16.312,882 84.747,883 45.342,884 64.149,885 4.227,886 223.651,888 235.422,889 196.481,890 33,893 129.482,894 138.94,897 53.734,898 109.176,899 33.571,901 235.422,902 132.365,903 97.116,906 235.422,907 42.64,908 54.476,910 132.365,911 235.422,912 132.365,913 97.116,915 0.552,916 0.325,917 0.194,918 0.116,919 13,920 7,921 0.163,922 8,924 1,925 3.456,926 184.838,928 12,929 100.039,933 18.455,934 8.826,935 4.807,937 132.365,938 5.481,939 7.992,943 4.195,945 65.794,946 464.903,947 31,956 48.225,957 54.773,958 0.283,959 0.592,960 0.723,961 0.748,962 0.758,963 0.789,964 4.673,965 1.06,966 5.557,967 3.179,968 4.205,969 4.71,970 1.85,971 6.347,972 4.067,973 5.862,974 1,975 7.101,976 1.731,977 3.761,978 4.559,980 7.209,981 3.601,982 7.163,983 0.442,984 8.747,985 1.714,986 5.765,987 6.89,988 1.55,989 10.305,990 5.525,991 8.502,992 0.183,993 10.452,994 0.983,995 6.133,996 7.524,998 11.98,999 5.866,1000 9.874,1001 -0.254,1002 12.194,1003 0.33,1004 7.609,1005 9.359,1006 1.288,1007 14.588,1008 7.283,1009 11.267,1010 -0.446,1011 13.961,1012 -0.478,1013 8.366,1014 10.358,1016 16.617,1017 8,1018 12.676,1019 -0.515,1020 15.747,1021 -0.837,1022 9.622,1023 11.979,1024 1.06,1025 19.047,1026 9.208,1027 3.081,1028 -0.655,1029 17.547,1030 -1.234,1031 10.566,1032 13.163,1034 21.237,1035 10.104,1036 2.857,1037 10.345,1038 19.358,1039 -1.249,1040 11.729,1041 14.679,1042 0.863,1043 23.599,1044 11.223,1045 2.284,1046 8.844,1047 21.178,1048 4.116,1049 12.761,1050 15.962,1052 25.861,1053 12.203,1054 2.115,1055 6.733,1056 23.005,1057 3.875,1058 13.889,1059 17.423,1060 0.694,1061 28.199,1062 13.286,1063 2.004,1064 6.311,1065 24.839,1066 2.936,1067 14.961,1068 18.759,1070 30.495,1071 14.306,1072 1.49,1073 5.655,1074 26.678,1075 2.665,1076 16.076,1077 20.192,1078 0.551,1079 32.825,1080 15.374,1081 1.399,1082 3.695,1083 28.521,1084 2.626,1085 17.168,1086 21.557,1088 35.138,1089 16.414,1090 5555,1091 9333,1092 16.008,1093 30,1094 35.827,1095 37.015,1096 38.147,1097 35.798,1098 35.829,1099 45.126,1100 6.52,1101 99.04,1102 33.226,1103 5.217,1104 5.404,1105 6.307,1106 5.1,1107 5.081,1108 7.116,1109 1.72,1110 17.29,1111 4.93,1112 14.069,1113 1.433,1114 1.481,1115 1.526,1116 1.432,1117 1.433,1118 1.805,1119 0.261,1120 3.962,1121 1.329,1122 3.995,1123 4.019,1124 3.953,1125 3.896,1126 5.291,1127 3.906,1128 3.817,1129 3.857,1130 3.784,1131 3.648,1132 4.98,1133 3.676,1134 3.495,1135 3.559,1136 3.319,1137 3.274,1138 4.945,1139 3.27,1140 3.471,1141 3.542,1142 3.297,1143 3.269,1144 4.54,1145 3.261,1146 3.443,1147 3.519,1148 3.246,1149 3.244,1150 4.46,1151 3.23,1152 3.177,1153 3.267,1154 3.036,1155 2.97,1156 4.423,1157 2.98,1158 2.998,1159 3.115,1160 2.842,1161 2.694,1162 4.193,1163 2.709,1164 2.865,1165 2.915,1166 2.719,1167 2.679,1168 3.775,1169 2.696,1170 0.177,1171 0.136,1172 0.261,1173 0.161,1174 0.123,1175 4.434,1176 0.165,1177 3.404,1178 0.034,1179 6.535,1180 0.414,1181 4.031,1182 0.117,1183 3.081,1184 4.116,1185 0.86,1186 10.345,1187 2.93,1188 1.93,1189 1.914,1190 2.019,1191 2.053,1192 1.212,1193 2.04,1194 1.732,1195 1.694,1196 1.842,1197 1.933,1198 0.963,1199 1.903,1200 1.475,1201 1.405,1202 1.8,1203 1.728,1204 0.938,1205 1.752,1206 1.461,1207 1.387,1208 1.793,1209 1.71,1210 0.933,1211 1.739,1212 1.438,1213 1.362,1214 1.727,1215 1.658,1216 0.817,1217 1.691,1218 1.124,1219 1.053,1220 1.358,1221 1.409,1222 0.373,1223 1.403,1224 0.898,1225 0.788,1226 1.224,1227 1.283,1228 0.161,1229 1.282,1230 0.826,1231 0.784,1232 1.092,1233 1.081,1234 0.114,1235 1.088,1236 3.932,1238 5.209,1240 6.693,1242 8.286,1244 9.936,1246 5.773,1250 11.465,1252 2.126,1254 17.136,1262 28.498,1263 75.797,1264 158.817,1265 193.774,1266 200.529,1267 203.284,1268 211.549,1269 43.438,1270 6.62,1271 105.51,1272 105.51,1273 12,1274 12.208,1275 3.7,1276 2.807,1277 48.069,1278 80,1279 82,1280 0.301,1281 180.655,1282 310.67,1283 432.558,1284 5344,1286 17.527,1287 0.73,1288 0.597,1289 17.527,1290 14.334,1291 11.583,1292 0.463,1293 0.32,1294 7.855,1295 10.938,1296 7.612,1297 6.37,1298 11.583,1299 8.007,1300 9.779,1301 0.296,1302 0.153,1303 9.779,1304 5.036,1305 7.669,1306 0.183,1307 0.078,1308 7.669,1309 3.28,1310 6.596,1311 0.12,1312 0.042,1313 6.596,1314 2.335,1315 5.301,1316 0.078,1317 0.023,1318 5.301,1319 1.582,1320 0.46,1321 73.664,1322 0.25,1323 23.154,1324 0.86,1325 116,1326 379.121,1327 132.679,1328 354.153,1329 485.57,1330 334,1331 133,1332 360.335,1333 148.849,1334 357.365,1335 523.57,1336 337,1337 4.523}
{0 CHEMBL116200,1 1.617,2 10.792,3 2.315,4 5.357,5 96.194,6 7.568,7 0.654,8 3.876,9 4.005,10 3.445,11 3.344,12 5.068,13 3.354,14 4.348,15 4.518,16 3.774,17 3.694,18 5.504,19 3.686,20 4.491,21 4.662,22 3.847,23 3.83,24 5.599,25 3.806,26 4.609,27 4.805,28 3.755,29 3.844,30 5.715,31 3.767,32 4.67,33 4.93,34 3.572,35 3.779,36 5.633,37 3.661,38 4.562,39 4.825,40 3.389,41 3.63,42 5.476,43 3.518,44 4.352,45 4.595,46 3.32,47 3.536,48 5.292,49 3.427,50 4.32,51 4.59,52 3.307,53 3.435,54 5.241,55 3.342,56 0.079,57 0.658,58 8.833,59 3.382,60 11.864,61 4.501,62 0.31,63 0.966,64 16.06,65 5.765,66 28.276,67 7.546,68 0.22,69 1.134,70 17.915,71 6.227,72 20.821,73 8.606,74 0.414,75 1.191,76 21.175,77 7.454,78 36.816,79 10.495,80 0.366,81 1.162,82 24.603,83 8.016,84 40.869,85 11.872,86 0.472,87 0.97,88 23.195,89 6.893,90 41.787,91 10.058,92 0.248,93 0.847,94 17.577,95 6.166,96 26.674,97 8.798,98 0.219,99 0.794,100 17.737,101 5.657,102 24.07,103 8.494,104 21,105 36,106 0.282,107 0.635,108 0.763,109 0.85,110 0.858,111 0.882,112 3.228,113 0.852,114 -3.47,115 -3.45,116 -3.3,119 39.5,124 2,125 1,139 6,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 7,172 3,173 3,175 4,178 5,180 1,182 5,187 4,189 3,191 1,192 1,193 3,195 1,196 2,197 1,198 5,200 2,201 2,204 3,205 1,207 1,210 2,211 1,212 3,214 1,215 4,218 3,221 2,224 1,229 6,234 4,238 1,239 1,240 1,241 4,243 1,246 4,251 1,256 1,259 2,260 6,262 1,263 1,265 3,270 3,273 754,274 16.273,275 16.273,276 16.273,277 16.273,278 16.273,279 14.213,280 23.178,281 9.454,282 16.86,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.461,289 32.089,290 4.327,291 13.457,292 3.809,293 1.782,294 1.047,295 0.547,296 0.5,297 0.361,298 3.91,300 1,301 1,302 1,303 550,304 2.828,307 205.095,311 106.977,314 1.493,315 20.285,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 52.5,327 259,328 4.541,329 3.198,330 6.502,331 4.047,332 3.079,333 4.491,334 0.86,335 10.175,336 2.983,337 4.267,338 3.114,339 6.173,340 3.869,341 2.904,342 3.911,343 0.86,344 9.168,345 2.8,346 3.772,347 2.697,348 5.32,349 3.363,350 2.417,351 3.234,352 0.657,353 6.903,354 2.286,355 3.544,356 2.542,357 5.215,358 3.163,359 2.23,360 2.859,362 6.489,363 2.075,364 3.428,365 2.195,366 5.062,367 2.971,368 2.041,369 2.811,371 5.802,372 1.895,373 3.368,374 2.081,375 4.97,376 2.904,377 1.961,378 2.69,380 5.752,381 1.845,382 2.919,383 1.975,384 4.385,385 2.541,386 1.6,387 2.057,389 4.214,390 1.496,391 2.454,392 1.218,393 3.71,394 1.984,395 1.01,396 1.435,398 2.565,399 0.981,400 2.082,401 1.058,402 3.324,403 1.808,404 0.867,405 1.019,407 1.957,408 0.811,409 1.663,410 0.942,411 2.923,412 1.361,413 0.469,414 0.533,415 0.854,416 0.413,417 1.592,418 0.875,419 2.776,420 1.32,421 0.46,422 0.512,423 0.673,424 0.394,425 1.327,426 0.267,427 2.699,428 0.948,429 0.02,430 0.025,431 0.044,432 0.018,433 0.976,434 -0.062,435 2.538,436 0.54,437 -0.383,438 -0.463,439 -0.792,440 -0.35,441 0.838,442 -0.299,443 2.375,444 0.464,445 -0.463,446 -0.586,448 -1.162,449 -0.426,450 0.586,451 -0.464,452 2.178,453 0.154,454 -0.81,455 -1.012,457 -2.027,458 -0.757,459 11.167,460 0.465,461 0.571,462 0.024,463 34.5,464 1.438,465 18.5,466 0.771,467 16,468 0.667,469 15.716,470 0.655,471 26.033,472 0.605,473 24.907,474 1.038,475 7.136,476 0.297,477 4.465,478 0.186,479 0.161,481 0.358,485 1.062,486 1.282,487 0.818,488 1.053,489 1.237,490 0.901,491 1.184,492 0.871,493 0.804,494 0.813,495 0.727,496 0.769,497 1.146,498 1.276,499 1,500 1.11,501 0.954,502 1.036,503 0.842,504 1.268,505 1.142,506 1.306,507 0.844,508 1.291,509 0.762,510 0.97,511 1.018,512 1.096,513 0.897,514 1.101,515 1.231,516 0.744,517 1.081,518 0.81,519 1.097,520 0.907,521 0.851,522 0.929,523 0.999,524 1.058,525 0.847,526 1.062,527 0.777,528 0.929,529 0.767,530 0.899,531 0.694,532 0.838,533 5.5,534 0.169,535 2.667,536 1.5,537 1.711,538 0.701,539 0.262,540 0.326,541 0.271,542 0.153,543 6422,544 18512,545 2.04,546 44.2,548 14,551 5,555 1.666,556 1.895,557 3.384,558 2.661,559 1,560 1,562 1,564 69.522,565 1.617,566 3.644,567 4.379,568 4.88,569 4.926,570 5.066,571 2.836,572 4.335,573 4.559,574 3.513,575 969.636,576 7.848,577 11529.3,579 1,581 1,582 233.329,583 1.459,584 4.507,585 0.212,586 0.011,587 0.074,588 0.039,589 0.053,590 0.027,591 0.012,592 0.016,593 0.013,594 0.008,595 0.465,596 0.17,597 1,598 0.921,599 114.946,600 -0.147,601 -0.058,602 0.023,603 -0.002,604 -0.27,605 0.046,606 -0.032,607 0.217,608 0.125,609 0.21,610 0.156,611 0.186,612 -0.186,613 -0.151,614 -0.106,615 -0.094,616 -0.126,617 -0.083,618 0.095,619 -0.221,620 -0.221,621 -0.295,622 0.041,623 -0.32,624 0.024,625 -0.024,626 -0.045,627 -0.116,628 0.001,629 -0.098,630 -0.149,631 0.145,632 -0.056,633 0.155,634 -0.164,635 0.08,636 -0.036,637 0.012,638 -0.041,639 -0.034,640 -0.053,641 -0.039,642 0.026,643 -0.033,644 0.229,645 0.095,646 0.102,647 0.189,648 1.497,649 1.918,650 0.667,651 19.701,652 1.008,653 1.135,654 2.245,655 5.038,656 0.657,657 3.296,658 3.611,659 3.871,660 4.111,661 4.344,662 4.344,663 4.357,664 4.407,665 4.543,666 4.543,667 6.188,668 0.633,669 325.41,670 3.296,671 4.828,672 5.673,673 6.547,674 7.408,675 8.284,676 9.15,677 10.026,678 10.894,679 11.771,680 11.6,684 2,685 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,712 1,716 2,718 43,719 17,720 2,721 26,723 45,724 17,725 14,726 6,727 6,729 3,730 4,741 14,742 3,753 1,754 1,757 19,758 7,759 5,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 1,817 1,818 2,829 4.7,834 2,836 12.667,837 8.15,838 5.417,839 2.172,840 3.39,841 1.478,842 0.992,843 4.805,844 10.486,845 3.57,846 4.22,847 4.834,848 5.43,849 6.019,850 6.245,851 6.529,852 6.852,853 7.271,854 7.333,855 1,856 38,857 8.767,859 3.604,860 7.764,861 16.526,863 12.968,865 2.264,866 54.333,869 1,870 164.795,871 106.103,872 117.376,874 22,877 106.103,878 186.795,879 117.376,880 21.766,881 2.106,882 122.652,883 51.582,884 43.146,885 4.227,886 164.795,888 164.795,889 223.479,890 22,893 164.795,894 22,897 6.149,898 165.748,899 51.582,901 164.795,902 139.376,903 106.103,906 164.795,907 27.479,908 78.624,909 18.011,910 121.365,911 164.795,912 139.376,913 106.103,915 0.577,916 0.346,917 0.187,918 0.104,919 17,920 8,921 0.111,922 5,923 1,924 1.125,925 3.603,926 189.923,927 0.125,928 16,929 110.039,933 16.455,934 7.008,935 3.591,936 1.475,937 139.376,938 11.395,939 8.158,943 3.967,945 83.805,946 410.274,947 34.5,956 43.349,957 48.817,958 0.298,959 0.672,960 0.807,961 0.899,962 0.908,963 0.934,964 4.79,965 1.01,966 5.659,967 4.214,968 4.29,969 4.905,970 1.573,971 6.457,972 4.188,973 6.015,974 0.867,975 7.213,976 2.565,977 3.892,978 4.808,980 7.322,981 3.753,982 7.334,983 0.469,984 8.86,985 1.957,986 5.878,987 7.19,988 1.27,989 10.384,990 5.699,991 8.69,992 0.46,993 10.561,994 0.854,995 6.256,996 7.878,998 12.037,999 6.041,1000 10.074,1001 0.02,1002 12.296,1003 0.673,1004 7.722,1005 9.755,1006 1.022,1007 14.625,1008 7.48,1009 11.478,1010 -0.383,1011 14.054,1012 0.044,1013 8.471,1014 10.833,1016 16.631,1017 8.196,1018 12.897,1019 -0.463,1020 15.83,1021 -0.792,1022 9.723,1023 12.494,1024 0.818,1025 19.044,1026 9.425,1027 3.079,1028 -0.81,1029 17.62,1030 -1.162,1031 10.658,1032 13.775,1034 21.211,1035 10.326,1036 2.904,1037 10.175,1038 19.421,1039 -2.027,1040 11.82,1041 15.338,1042 0.65,1043 23.556,1044 11.464,1045 2.417,1046 9.168,1047 21.232,1048 4.491,1049 12.844,1050 16.724,1052 25.796,1053 12.456,1054 2.23,1055 6.903,1056 23.051,1057 3.911,1058 13.97,1059 18.244,1060 0.511,1061 28.115,1062 13.556,1063 2.041,1064 6.489,1065 24.877,1066 3.234,1067 15.038,1068 19.683,1070 30.389,1071 14.592,1072 1.961,1073 5.802,1074 26.708,1075 2.859,1076 16.151,1077 21.185,1078 0.399,1079 32.699,1080 15.677,1081 1.6,1082 5.752,1083 28.545,1084 2.811,1085 17.239,1086 22.651,1088 34.989,1089 16.734,1090 6299,1091 10802,1092 17.107,1093 28.267,1094 38.069,1095 39.045,1096 39.796,1097 38.038,1098 38.115,1099 51.152,1100 4.755,1101 109.193,1102 35.993,1103 5.376,1104 5.198,1105 6.06,1106 5.119,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.983,1112 12.689,1113 1.464,1114 1.502,1115 1.531,1116 1.463,1117 1.466,1118 1.967,1119 0.183,1120 4.2,1121 1.384,1122 4.072,1123 4.107,1124 4.04,1125 3.975,1126 5.308,1127 3.986,1128 3.925,1129 3.943,1130 3.877,1131 3.84,1132 4.982,1133 3.846,1134 3.521,1135 3.591,1136 3.455,1137 3.307,1138 4.921,1139 3.337,1140 3.325,1141 3.378,1142 3.193,1143 3.086,1144 4.711,1145 3.101,1146 3.236,1147 3.31,1148 3.059,1149 2.963,1150 4.577,1151 2.973,1152 3.134,1153 3.237,1154 3.019,1155 2.907,1156 4.298,1157 2.92,1158 3.098,1159 3.197,1160 2.893,1161 2.836,1162 4.17,1163 2.833,1164 2.798,1165 2.881,1166 2.634,1167 2.641,1168 3.897,1169 2.622,1170 0.175,1171 0.123,1172 0.25,1173 0.156,1174 0.118,1175 4.541,1176 0.173,1177 3.198,1178 0.033,1179 6.502,1180 0.391,1181 4.047,1182 0.115,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.983,1188 2.011,1189 1.984,1190 2.077,1191 2.129,1192 1.204,1193 2.115,1194 1.891,1195 1.874,1196 1.986,1197 2.002,1198 1.125,1199 1.996,1200 1.432,1201 1.368,1202 1.611,1203 1.688,1204 0.687,1205 1.666,1206 1.255,1207 1.197,1208 1.579,1209 1.56,1210 0.58,1211 1.565,1212 1.19,1213 1.114,1214 1.529,1215 1.49,1216 0.545,1217 1.511,1218 1.094,1219 1.007,1220 1.406,1221 1.386,1222 0.395,1223 1.385,1224 1.04,1225 0.953,1226 1.294,1227 1.359,1228 0.204,1229 1.37,1230 0.809,1231 0.738,1232 1.099,1233 1.015,1234 0.16,1235 1.044,1236 3.97,1238 5.283,1240 6.801,1242 8.416,1244 10.08,1246 3.262,1250 11.529,1252 0.592,1253 3.344,1254 10.612,1262 27.224,1263 69.522,1264 156.7,1265 188.31,1266 209.82,1267 211.82,1268 217.82,1269 32.228,1270 7.095,1271 108.31,1272 108.31,1273 18,1274 12.311,1275 4.17,1276 3.248,1277 39.452,1278 91,1279 86,1280 0.217,1281 170.205,1282 284.34,1283 407.06,1284 11138,1286 17.104,1287 0.713,1288 0.564,1289 17.104,1290 13.537,1291 11.601,1292 0.446,1293 0.284,1294 7.227,1295 11.021,1296 7.006,1297 5.871,1298 11.601,1299 7.38,1300 10.25,1301 0.285,1302 0.145,1303 10.25,1304 5.23,1305 8.663,1306 0.184,1307 0.079,1308 8.663,1309 3.72,1310 7.158,1311 0.119,1312 0.041,1313 7.158,1314 2.476,1315 5.807,1316 0.076,1317 0.022,1318 5.807,1319 1.664,1320 0.343,1321 73.684,1322 0.242,1323 23.538,1324 0.585,1325 124,1326 379.719,1327 137.861,1328 366.132,1329 504.98,1330 344,1331 145,1332 376.105,1333 158.142,1334 384.404,1335 555.93,1336 358,1337 5.921}
{0 CHEMBL116614,1 1.829,2 10,3 2.678,4 7.171,5 97.464,6 9.673,7 0.63,8 3.793,9 3.912,10 3.564,11 3.352,12 5.067,13 3.356,14 4.257,15 4.414,16 3.978,17 3.744,18 5.525,19 3.725,20 4.462,21 4.604,22 4.201,23 3.93,24 5.707,25 3.891,26 4.609,27 4.792,28 4.014,29 3.902,30 5.878,31 3.841,32 4.67,33 4.911,34 3.866,35 3.827,36 5.833,37 3.757,38 4.515,39 4.73,40 3.841,41 3.733,42 5.793,43 3.646,44 4.356,45 4.566,46 3.734,47 3.592,48 5.613,49 3.514,50 4.201,51 4.42,52 3.713,53 3.446,54 5.57,55 3.37,56 0.133,57 0.621,58 4.648,59 2.766,60 13.962,61 3.082,62 0.344,63 0.93,64 10.659,65 4.952,66 28.631,67 5.94,68 0.368,69 1.096,70 17.917,71 6.193,72 33.529,73 6.953,74 0.517,75 1.204,76 19.243,77 7.523,78 49.443,79 9.027,80 0.644,81 1.185,82 24.116,83 7.476,84 69.305,85 9.064,86 0.617,87 0.959,88 23.447,89 7.44,90 70.894,91 9,92 0.502,93 0.812,94 21.129,95 6.37,96 62.328,97 7.545,98 0.446,99 0.697,100 16.483,101 5.189,102 52.738,103 6.648,104 38,105 39,106 0.323,107 0.713,108 0.828,109 0.876,110 0.885,111 0.885,112 3.267,113 0.889,114 -4.46,115 -4.39,116 -4.14,119 41,120 1,125 1,139 3,140 3,141 3,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,166 4,169 3,170 7,172 3,173 3,175 1,178 6,180 1,182 5,187 1,189 5,191 1,192 2,193 11,195 3,196 3,197 1,198 3,200 2,201 3,204 3,205 1,207 3,212 1,215 3,218 1,220 3,221 5,223 1,224 1,226 2,229 6,231 2,234 2,241 4,245 2,246 5,248 2,249 2,251 2,254 3,256 2,260 3,265 1,268 2,270 1,273 849,274 16.455,275 16.455,276 16.455,277 16.455,278 16.455,279 14.164,280 20.598,281 9.341,282 17.04,283 13.195,284 13.195,285 13.195,286 13.195,287 13.195,288 9.776,289 27.165,290 4.308,291 14.247,292 3.457,293 1.249,294 0.603,295 0.327,296 0.276,297 0.276,298 3.942,299 2,300 1,301 1,302 1,303 528,304 3.082,307 213.835,311 112.429,314 1.36,315 30.322,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 54.667,327 250,328 4.656,329 3.417,330 6.837,331 4.191,332 3.219,333 4.616,334 1.23,335 11.245,336 3.135,337 4.272,338 3.303,339 6.225,340 3.869,341 2.94,342 3.902,343 0.521,344 9.319,345 2.726,346 3.939,347 3.176,348 5.859,349 3.532,350 2.618,351 3.422,353 8.003,354 2.411,355 3.727,356 2.7,357 5.713,358 3.328,359 2.418,360 3.032,362 7.475,363 2.089,364 3.452,365 2.451,366 5.096,367 2.97,368 2.037,369 2.86,371 5.909,372 1.889,373 3.37,374 2.187,375 5.009,376 2.894,377 1.968,378 2.692,380 5.792,381 1.813,382 2.854,383 2.131,384 4.41,385 2.432,386 1.47,387 1.955,389 4.035,390 1.38,391 2.816,392 2.045,393 4.147,394 2.305,395 1.414,396 1.881,398 3.52,399 1.239,400 2.694,401 1.654,402 4.025,403 2.258,404 1.3,405 1.751,407 3.331,408 1.192,409 2.028,410 1.299,411 3.135,412 1.535,413 0.514,414 0.691,415 1.041,416 0.513,417 1.558,418 0.72,419 2.823,420 1.115,421 0.204,422 0.259,423 0.394,424 0.153,425 1.287,426 0.499,427 2.684,428 0.839,429 -0.049,430 -0.064,431 -0.101,432 -0.038,433 1.19,434 0.112,435 2.635,436 0.773,437 -0.121,438 -0.149,439 -0.305,440 -0.114,441 0.937,442 -0.084,443 2.432,444 0.477,445 -0.435,446 -0.563,448 -1.125,449 -0.383,450 0.725,451 -0.275,452 2.374,453 0.269,454 -0.622,455 -0.759,457 -1.609,458 -0.459,459 12.162,460 0.486,461 0.771,462 0.031,463 36,464 1.44,465 19,466 0.76,467 17,468 0.68,469 18.917,470 0.757,471 26.238,472 0.673,473 26.623,474 1.065,475 7.163,476 0.287,477 4.738,478 0.19,479 0.252,481 0.403,485 0.825,486 1.326,487 0.539,488 0.792,489 0.796,490 0.747,491 0.618,492 0.831,493 0.557,494 0.633,495 0.547,496 0.673,497 0.908,498 1.328,499 0.832,500 1.041,501 0.713,502 1.017,503 0.825,504 1.154,505 0.884,506 1.222,507 0.871,508 1.24,509 1.119,510 0.889,511 0.759,512 0.815,513 1.162,514 0.942,515 0.956,516 0.793,517 0.942,518 1.003,519 1.169,520 1.049,521 1.124,522 0.999,523 0.997,524 1.009,525 1.269,526 0.998,527 0.72,528 0.926,529 0.828,530 0.86,531 0.709,532 0.886,533 6,534 0.132,535 3.556,536 2.313,537 2.062,538 0.924,539 0.607,540 0.464,541 0.279,542 0.218,543 6511,544 25236,545 1.992,546 35.9,547 3,548 5,550 2,551 4,555 1.682,556 1.807,557 3.278,558 1.855,559 1,560 1,564 71.318,565 1.829,566 4.036,567 4.683,568 4.958,569 5.01,570 5.01,571 2.71,572 4.404,573 4.618,574 3.402,575 1020.68,576 7.994,577 12086.5,578 1,579 1,581 1,582 206.131,583 1.554,584 4.541,585 0.222,586 0.01,587 0.091,588 0.054,589 0.054,590 0.029,591 0.021,592 0.018,593 0.012,594 0.012,595 0.523,596 0.17,597 1,598 0.866,599 119.434,600 -0.164,601 -0.129,602 -0.013,603 0.037,604 -0.167,605 0.051,606 0.138,607 0.293,608 0.108,609 0.249,610 0.099,611 0.2,612 -0.111,613 -0.24,614 -0.001,615 -0.121,616 -0.063,617 -0.137,618 0.034,619 -0.131,620 -0.135,621 -0.307,622 0.015,623 -0.31,624 -0.202,625 0.085,626 -0.017,627 0.099,628 -0.168,629 0.043,630 0.062,631 0.119,632 -0.018,633 -0.008,634 -0.001,635 -0.023,636 -0.082,637 -0.103,638 -0.008,639 0.005,640 -0.086,641 0.036,642 0.253,643 0.006,644 0.168,645 0.133,646 0.279,647 0.137,648 1.602,649 4.556,650 0.64,651 19.555,652 1.026,653 1.132,654 3.233,655 10.45,656 0.718,657 3.332,658 3.689,659 3.97,660 4.22,661 4.443,662 4.5,663 4.522,664 4.605,665 4.673,666 4.663,667 5.784,668 0.696,669 377.26,670 3.332,671 4.89,672 5.753,673 6.645,674 7.523,675 8.419,676 9.302,677 10.199,678 11.085,679 11.982,680 15.4,684 2,687 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,717 2,718 39,719 18,720 1,721 27,723 41,724 16,725 13,726 3,727 3,729 3,730 4,731 2,734 1,741 14,742 2,744 1,748 1,749 1,753 1,754 1,757 14,758 7,759 4,760 9,761 2,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,791 1,802 2,806 1,807 2,810 25,811 2,816 1,821 1,828 2,829 2.6,832 1,836 13.833,837 7.336,838 5.5,839 2.042,840 3.287,841 1.462,842 0.999,843 4.948,844 10.394,845 3.624,846 4.29,847 4.913,848 5.517,849 6.096,850 6.384,851 6.686,852 7.058,853 7.419,854 7.55,855 0.857,856 43,857 9.136,859 3.882,860 8.009,861 16.834,863 13.494,865 2.509,866 62.722,870 117.711,871 84.047,872 119.275,873 78.297,874 25.145,877 84.047,878 221.153,879 119.275,880 8.825,881 5.23,882 94.223,883 110.039,884 29.465,885 4.227,886 94.169,887 78.297,888 117.711,889 203.322,890 25.145,891 78.297,893 119.426,894 25.145,897 25.002,898 126.248,899 128.654,901 117.711,902 144.42,903 162.344,906 117.711,907 26.75,908 60.421,910 219.593,911 117.711,912 144.42,913 162.344,915 0.593,916 0.359,917 0.19,918 0.102,919 19,920 10,921 0.073,922 3,923 1,924 1.125,925 3.532,926 208.984,927 0.125,928 16,929 116.096,933 17.673,934 6.999,935 3.467,936 1.033,937 144.42,938 6.609,939 12.325,943 3.344,945 65.794,946 424.475,947 36.5,951 11.556,952 0.714,956 40.004,957 44.163,958 0.346,959 0.764,960 0.886,961 0.938,962 0.948,963 0.948,964 4.869,965 1.414,966 5.771,967 4.035,968 4.369,969 4.977,970 1.487,971 6.619,972 4.228,973 6.117,974 1.3,975 7.365,976 3.52,977 4.111,978 4.956,979 0.325,980 7.591,981 3.864,982 7.45,983 0.514,984 9.054,985 3.331,986 6.009,987 7.278,988 1.615,989 10.693,990 5.762,991 8.819,992 0.204,993 10.796,994 1.041,995 6.509,996 8.037,997 0.74,998 12.456,999 6.185,1000 10.217,1001 -0.049,1002 12.572,1003 0.394,1004 7.928,1005 9.879,1006 1.853,1007 15.103,1008 7.599,1009 11.635,1010 -0.121,1011 14.371,1012 -0.101,1013 8.773,1014 11.019,1015 1.168,1016 17.216,1017 8.395,1018 13.072,1019 -0.435,1020 16.188,1021 -0.305,1022 10.011,1023 12.667,1024 2.14,1025 19.703,1026 9.621,1027 3.219,1028 -0.622,1029 18.02,1030 -1.125,1031 11.016,1032 13.999,1033 1.605,1034 21.977,1035 10.594,1036 2.94,1037 11.245,1038 19.862,1039 -1.609,1040 12.188,1041 15.566,1042 2.456,1043 24.408,1044 11.749,1045 2.618,1046 9.319,1047 21.715,1048 4.616,1049 13.267,1050 16.994,1051 2.049,1052 26.756,1053 12.805,1054 2.418,1055 8.003,1056 23.576,1057 3.902,1058 14.416,1059 18.529,1060 2.793,1061 29.17,1062 13.937,1063 2.037,1064 7.475,1065 25.444,1066 3.422,1067 15.531,1068 20.006,1069 2.494,1070 31.552,1071 15.031,1072 1.968,1073 5.909,1074 27.318,1075 3.032,1076 16.676,1077 21.53,1078 3.145,1079 33.963,1080 16.158,1081 1.47,1082 5.792,1083 29.197,1084 2.86,1085 17.808,1086 23.03,1087 2.938,1088 36.362,1089 17.271,1090 6444,1091 12811,1092 17.224,1093 28.012,1094 40.99,1095 43.27,1096 43.136,1097 40.568,1098 40.204,1099 54.126,1100 3.503,1101 120.128,1102 37.082,1103 5.491,1104 5.417,1105 6.361,1106 5.266,1107 5.219,1108 7.616,1109 2.335,1110 18.521,1111 5.135,1112 15.416,1113 1.518,1114 1.603,1115 1.598,1116 1.503,1117 1.489,1118 2.005,1119 0.13,1120 4.449,1121 1.373,1122 4.075,1123 4.114,1124 4.124,1125 3.964,1126 7.453,1127 3.979,1128 3.912,1129 3.935,1130 4.035,1131 3.85,1132 5.321,1133 3.845,1134 3.568,1135 3.626,1136 3.578,1137 3.381,1138 5.04,1139 3.405,1140 3.355,1141 3.406,1142 3.402,1143 3.112,1144 4.981,1145 3.142,1146 3.165,1147 3.26,1148 3.367,1149 2.93,1150 4.805,1151 2.943,1152 3.023,1153 3.153,1154 3.068,1155 2.794,1156 4.491,1157 2.768,1158 2.911,1159 2.976,1160 3.049,1161 2.707,1162 4.309,1163 2.725,1164 2.878,1165 2.922,1166 2.829,1167 2.668,1168 4.165,1169 2.662,1170 0.172,1171 0.127,1172 0.253,1173 0.155,1174 0.119,1175 4.656,1176 0.171,1177 3.417,1178 0.046,1179 6.837,1180 0.416,1181 4.191,1182 0.116,1183 3.219,1184 4.616,1185 1.23,1186 11.245,1187 3.135,1188 1.999,1189 1.969,1190 2.061,1191 2.134,1192 1.236,1193 2.112,1194 1.874,1195 1.856,1196 1.928,1197 1.966,1198 1.065,1199 1.965,1200 1.492,1201 1.436,1202 1.627,1203 1.708,1204 0.749,1205 1.696,1206 1.253,1207 1.192,1208 1.535,1209 1.528,1210 0.559,1211 1.521,1212 1.104,1213 1.026,1214 1.318,1215 1.396,1216 0.232,1217 1.384,1218 0.946,1219 0.827,1220 1.261,1221 1.336,1222 0.162,1223 1.34,1224 0.868,1225 0.824,1226 1.11,1227 1.145,1228 0.036,1229 1.138,1230 0.818,1231 0.747,1232 1.091,1233 1.016,1235 1.059,1236 4.007,1238 5.352,1240 6.899,1242 8.541,1244 10.233,1246 1.868,1247 11.954,1250 11.549,1252 0.278,1257 1.492,1262 27.132,1263 71.318,1264 157.402,1265 182.621,1266 193.376,1267 195.376,1268 195.376,1269 46.017,1270 7.107,1271 111.02,1272 111.02,1273 18,1274 12.508,1275 4.248,1276 3.392,1277 41.719,1278 87,1279 83,1280 0.239,1281 177.149,1282 297.03,1283 424.003,1284 10590,1285 5.1,1286 18.137,1287 0.725,1288 0.589,1289 19.137,1290 14.713,1291 11.901,1292 0.441,1293 0.296,1294 7.197,1295 10.887,1296 6.936,1297 5.744,1298 12.478,1299 8.001,1300 11.02,1301 0.283,1302 0.159,1303 11.761,1304 6.22,1305 9.375,1306 0.18,1307 0.088,1308 10.289,1309 4.576,1310 7.721,1311 0.115,1312 0.042,1313 8.107,1314 2.821,1315 5.976,1316 0.071,1317 0.022,1318 6.374,1319 1.868,1320 0.369,1321 80.887,1322 0.241,1323 23.954,1324 0.674,1325 132,1326 431.347,1327 175.163,1328 482.877,1329 634.8,1330 446,1331 157,1332 420.411,1333 196.05,1334 448.841,1335 655.2,1336 419,1337 6.854}
{0 CHEMBL116637,1 1.647,2 10.923,3 2.298,4 5.281,5 102.657,6 7.563,7 0.607,8 3.966,9 4.089,10 3.531,11 3.401,12 5.163,13 3.42,14 4.448,15 4.62,16 3.859,17 3.745,18 5.589,19 3.751,20 4.562,21 4.713,22 4.006,23 3.9,24 5.722,25 3.899,26 4.724,27 4.896,28 3.971,29 3.955,30 5.864,31 3.916,32 4.856,33 5.072,34 3.767,35 3.947,36 5.876,37 3.856,38 4.788,39 5.048,40 3.525,41 3.847,42 5.679,43 3.708,44 4.678,45 4.978,46 3.457,47 3.701,48 5.508,49 3.567,50 4.433,51 4.686,52 3.474,53 3.55,54 5.383,55 3.479,56 0.104,57 0.7,58 9.768,59 3.742,60 12.955,61 4.945,62 0.42,63 1.016,64 18.366,65 6.223,66 32.913,67 8.079,68 0.415,69 1.201,70 19.146,71 6.67,72 24.94,73 9.182,74 0.482,75 1.302,76 23.512,77 8.237,78 38.374,79 11.243,80 0.732,81 1.325,82 29.722,83 9.181,84 57.598,85 12.64,86 0.562,87 1.2,88 28.671,89 8.916,90 48.742,91 13.157,92 0.446,93 1.037,94 26.95,95 8.226,96 42.751,97 12.601,98 0.308,99 0.869,100 19.796,101 6.196,102 27.854,103 9.15,104 35,105 39,106 0.282,107 0.618,108 0.733,109 0.807,110 0.825,111 0.876,112 3.304,113 0.848,114 -2.96,115 -2.97,116 -2.86,119 38.3,124 3,125 1,139 5,140 2,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 5,172 3,173 3,175 4,178 3,180 1,181 2,182 7,187 4,189 2,191 1,192 1,193 4,195 1,196 2,197 1,198 4,200 2,201 2,204 3,205 1,207 1,210 3,211 1,212 3,214 1,215 4,218 3,221 2,224 1,229 4,234 6,238 1,239 1,240 1,241 2,243 1,246 6,251 1,256 1,259 2,260 4,262 1,263 1,265 2,270 2,273 916,274 17.696,275 17.696,276 17.696,277 17.696,278 17.696,279 15.607,280 24.703,281 10.183,282 18.434,283 13.596,284 13.596,285 13.596,286 13.596,287 13.596,288 10.256,289 33.039,290 4.51,291 14.513,292 3.908,293 1.939,294 1.269,295 0.836,296 0.735,297 0.431,298 3.985,300 1,301 1,302 1,303 598,304 3.082,307 227.358,311 118.929,314 1.479,315 24.589,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 57.5,327 284,328 4.541,329 3.437,330 6.688,331 4.075,332 3.123,333 4.491,334 0.86,335 10.788,336 2.987,337 4.473,338 3.12,339 6.502,340 4.042,341 3.076,342 4.164,343 0.86,344 10.174,345 2.956,346 3.784,347 2.787,348 5.694,349 3.399,350 2.453,351 3.237,352 0.86,353 7.515,354 2.317,355 3.622,356 2.542,357 5.308,358 3.24,359 2.297,360 2.956,361 0.657,362 6.845,363 2.163,364 3.428,365 2.262,366 5.062,367 2.971,368 2.041,369 2.811,371 5.803,372 1.896,373 3.368,374 2.153,375 4.972,376 2.905,377 1.962,378 2.691,380 5.755,381 1.845,382 3.121,383 2.031,384 4.745,385 2.728,386 1.792,387 2.327,389 4.915,390 1.666,391 2.455,392 1.874,393 3.72,394 1.989,395 1.11,396 1.435,398 2.565,399 0.984,400 2.16,401 1.197,402 3.702,403 1.946,404 1.008,405 1.144,407 2.336,408 0.927,409 2.043,410 1.058,411 3.281,412 1.768,413 0.853,414 0.984,415 1.774,416 0.773,417 1.663,418 0.914,419 2.938,420 1.361,421 0.465,422 0.533,423 0.854,424 0.412,425 1.385,426 0.874,427 2.699,428 1.13,429 0.289,430 0.311,431 0.363,432 0.241,433 1.327,434 0.268,435 2.538,436 0.948,437 0.02,438 0.025,439 0.044,440 0.018,441 0.976,442 0.038,443 2.492,444 0.542,445 -0.381,446 -0.46,448 -0.792,449 -0.349,450 0.841,451 -0.062,452 2.392,453 0.465,454 -0.462,455 -0.586,457 -1.027,458 -0.425,459 12,460 0.462,461 0.606,462 0.023,463 36.5,464 1.404,465 19,466 0.731,467 17.5,468 0.673,469 18.545,470 0.713,471 28.8,472 0.613,473 27.996,474 1.077,475 7.651,476 0.294,477 4.916,478 0.189,479 0.192,481 0.375,485 1.041,486 1.355,487 0.813,488 1.141,489 1.194,490 0.946,491 1.296,492 0.82,493 0.798,494 0.736,495 0.859,496 0.693,497 0.892,498 1.3,499 0.88,500 1.121,501 0.817,502 1.003,503 0.991,504 1.315,505 1.086,506 1.336,507 0.838,508 1.255,509 1.378,510 0.959,511 1.311,512 1.085,513 1.261,514 1.189,515 0.968,516 0.938,517 1.143,518 1.052,519 0.991,520 1.126,521 0.663,522 0.7,523 0.744,524 0.774,525 0.632,526 0.773,527 0.882,528 0.928,529 0.778,530 0.89,531 0.74,532 0.823,533 5.5,534 0.206,535 3.333,536 2.063,537 2.102,538 0.764,539 0.344,540 0.358,541 0.283,542 0.238,543 7668,544 22750,545 2.014,546 44.7,548 16,551 5,555 1.689,556 1.857,557 3.393,558 2.596,559 1,560 1,564 77.404,565 1.647,566 3.615,567 4.285,568 4.719,569 4.82,570 5.123,571 2.83,572 4.316,573 4.676,574 3.538,575 1149.78,576 8.091,577 14434.2,579 1,581 1,582 261.066,583 1.502,584 4.615,585 0.196,586 0.01,587 0.085,588 0.047,589 0.053,590 0.025,591 0.014,592 0.015,593 0.011,594 0.01,595 0.467,596 0.17,597 1,598 0.998,599 127.524,600 -0.137,601 -0.109,602 0.031,603 -0.055,604 -0.241,605 0.023,606 -0.103,607 0.259,608 0.153,609 0.29,610 0.072,611 0.265,612 0.083,613 -0.132,614 0.008,615 -0.073,616 0.026,617 -0.041,618 0.032,619 -0.233,620 -0.168,621 -0.301,622 0.072,623 -0.284,624 -0.207,625 0.005,626 -0.321,627 -0.106,628 -0.235,629 -0.229,630 -0.099,631 -0.028,632 -0.158,633 -0.065,634 -0.163,635 -0.116,636 0.063,637 0.142,638 0.269,639 0.205,640 0.131,641 0.273,642 -0.021,643 -0.009,644 0.208,645 0.109,646 0.077,647 0.197,648 1.509,649 2.002,650 0.615,651 21.42,652 1.012,653 1.137,654 1.734,655 3.006,656 0.649,657 3.367,658 3.689,659 3.989,660 4.248,661 4.443,662 4.431,663 4.466,664 4.522,665 4.644,666 4.673,667 6.356,668 0.627,669 355.44,670 3.367,671 4.905,672 5.765,673 6.65,674 7.525,675 8.411,676 9.289,677 10.175,678 11.055,679 11.941,680 10.6,684 2,685 1,690 2,694 2,695 5,696 2,700 7,702 17,711 2,712 1,716 3,718 47,719 17,720 2,721 28,723 49,724 18,725 14,726 7,727 5,729 3,730 4,741 14,742 4,753 1,754 1,757 21,758 8,759 5,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 1,817 1,818 3,829 6.4,834 3,836 14,837 9.233,838 5.972,839 2.339,840 3.401,841 1.469,842 0.975,843 5.537,844 10.656,845 3.624,846 4.277,847 4.914,848 5.512,849 6.077,850 6.311,851 6.599,852 6.911,853 7.317,854 7.412,855 1,856 44,857 9.503,859 3.89,860 7.788,861 17.835,863 13.865,865 2.288,866 59.5,870 188.338,871 112.753,872 117.376,874 33,877 112.753,878 221.337,879 117.376,880 32.649,881 2.106,882 113.176,883 51.582,884 59.389,885 4.227,886 188.338,888 188.338,889 230.129,890 33,893 188.338,894 33,897 6.149,898 172.398,899 51.582,901 188.338,902 150.376,903 112.753,906 188.338,907 32.722,908 80.03,909 18.011,910 132.365,911 188.338,912 150.376,913 112.753,915 0.574,916 0.361,917 0.206,918 0.108,919 18,920 9,921 0.122,922 6,923 1,924 1.125,925 3.691,926 215.146,927 0.125,928 16,929 122.211,933 18.353,934 7.845,935 3.738,936 1.438,937 150.376,938 9.399,939 8.17,943 4.088,945 83.805,946 451.466,947 36.5,956 47.56,957 53.441,958 0.296,959 0.651,960 0.772,961 0.85,962 0.868,963 0.922,964 4.854,965 1.11,966 5.759,967 4.915,968 4.369,969 4.963,970 1.841,971 6.594,972 4.254,973 6.083,974 1.008,975 7.338,976 2.565,977 4.007,978 4.913,980 7.564,981 3.859,982 7.413,983 0.853,984 9.014,985 2.336,986 5.989,987 7.265,988 1.538,989 10.654,990 5.788,991 8.783,992 0.465,993 10.748,994 1.774,995 6.431,996 8.012,998 12.428,999 6.19,1000 10.182,1001 0.289,1002 12.518,1003 0.854,1004 7.888,1005 9.861,1006 1.278,1007 15.05,1008 7.611,1009 11.602,1010 0.02,1011 14.314,1012 0.363,1013 8.703,1014 10.983,1016 17.161,1017 8.38,1018 13.038,1019 -0.381,1020 16.127,1021 0.044,1022 9.956,1023 12.627,1024 1.053,1025 19.621,1026 9.602,1027 3.123,1028 -0.462,1029 17.955,1030 -0.792,1031 10.945,1032 13.936,1034 21.875,1035 10.544,1036 3.076,1037 10.788,1038 19.794,1039 -1.027,1040 12.119,1041 15.49,1042 0.858,1043 24.274,1044 11.685,1045 2.453,1046 10.174,1047 21.642,1048 4.491,1049 13.187,1050 16.89,1052 26.588,1053 12.707,1054 2.297,1055 7.515,1056 23.498,1057 4.164,1058 14.332,1059 18.404,1060 0.691,1061 28.965,1062 13.816,1063 2.041,1064 6.845,1065 25.359,1066 3.237,1067 15.434,1068 19.848,1070 31.305,1071 14.874,1072 1.962,1073 5.803,1074 27.226,1075 2.956,1076 16.569,1077 21.346,1078 0.549,1079 33.672,1080 15.97,1081 1.792,1082 5.755,1083 29.097,1084 2.811,1085 17.687,1086 22.812,1088 36.025,1089 17.045,1090 7571,1091 13152,1092 18.205,1093 30.483,1094 40.847,1095 42.126,1096 43.937,1097 40.861,1098 40.977,1099 54.217,1100 6.475,1101 119.461,1102 38.37,1103 5.378,1104 5.437,1105 6.238,1106 5.147,1107 5.123,1108 7.491,1109 1.72,1110 17.976,1111 4.987,1112 14.858,1113 1.459,1114 1.504,1115 1.569,1116 1.459,1117 1.463,1118 1.936,1119 0.231,1120 4.266,1121 1.37,1122 4.073,1123 4.108,1124 4.042,1125 3.976,1126 5.309,1127 3.987,1128 3.936,1129 3.948,1130 3.9,1131 3.842,1132 4.983,1133 3.852,1134 3.525,1135 3.594,1136 3.459,1137 3.308,1138 4.971,1139 3.34,1140 3.33,1141 3.384,1142 3.204,1143 3.096,1144 4.713,1145 3.114,1146 3.275,1147 3.336,1148 3.106,1149 2.993,1150 4.577,1151 3.008,1152 3.203,1153 3.283,1154 3.024,1155 2.915,1156 4.465,1157 2.928,1158 3.133,1159 3.237,1160 2.975,1161 2.893,1162 4.297,1163 2.893,1164 3.087,1165 3.185,1166 2.892,1167 2.83,1168 4.158,1169 2.83,1170 0.162,1171 0.123,1172 0.239,1173 0.146,1174 0.112,1175 4.541,1176 0.16,1177 3.437,1178 0.031,1179 6.688,1180 0.385,1181 4.075,1182 0.107,1183 3.123,1184 4.491,1185 0.86,1186 10.788,1187 2.987,1188 2.011,1189 1.984,1190 2.076,1191 2.129,1192 1.205,1193 2.114,1194 1.886,1195 1.875,1196 1.969,1197 2.007,1198 1.126,1199 1.993,1200 1.433,1201 1.371,1202 1.616,1203 1.693,1204 0.69,1205 1.67,1206 1.262,1207 1.205,1208 1.585,1209 1.56,1210 0.582,1211 1.565,1212 1.214,1213 1.146,1214 1.567,1215 1.524,1216 0.57,1217 1.538,1218 1.163,1219 1.075,1220 1.524,1221 1.487,1222 0.537,1223 1.509,1224 1.085,1225 1.002,1226 1.392,1227 1.386,1228 0.393,1229 1.371,1230 1.037,1231 0.946,1232 1.294,1233 1.342,1234 0.203,1235 1.367,1236 4.043,1238 5.361,1240 6.895,1242 8.531,1244 10.219,1246 4.762,1250 11.566,1252 0.519,1253 3.34,1254 16.219,1262 29.466,1263 77.404,1264 169.918,1265 201.417,1266 221.781,1267 226.536,1268 240.801,1269 39.524,1270 7.255,1271 117.54,1272 117.54,1273 18,1274 12.474,1275 4.17,1276 3.248,1277 44.471,1278 102,1279 90,1280 0.219,1281 183.793,1282 310.43,1283 440.216,1284 13420,1286 18.681,1287 0.719,1288 0.572,1289 18.681,1290 14.868,1291 12.566,1292 0.449,1293 0.283,1294 7.72,1295 11.846,1296 7.457,1297 6.267,1298 12.566,1299 7.915,1300 10.884,1301 0.279,1302 0.142,1303 10.884,1304 5.546,1305 9.449,1306 0.178,1307 0.076,1308 9.449,1309 4.011,1310 8.176,1311 0.118,1312 0.04,1313 8.176,1314 2.78,1315 6.405,1316 0.076,1317 0.022,1318 6.405,1319 1.842,1320 0.345,1321 80.593,1322 0.234,1323 25.061,1324 0.596,1325 134,1326 435.454,1327 150.74,1328 412.308,1329 566.63,1330 388,1331 159,1332 418.65,1333 176.349,1334 426.992,1335 621.47,1336 396,1337 5.886}
{0 CHEMBL116650,1 1.359,2 8.227,3 3.235,4 10.463,5 95.202,6 6.372,7 0.522,8 3.903,9 4.066,10 3.309,11 3.402,12 4.989,13 3.35,14 4.413,15 4.633,16 3.67,17 3.802,18 5.399,19 3.716,20 4.656,21 4.872,22 3.768,23 3.998,24 5.619,25 3.889,26 4.859,27 5.123,28 3.729,29 4.058,30 5.807,31 3.912,32 4.877,33 5.151,34 3.62,35 4.046,36 5.748,37 3.88,38 4.87,39 5.16,40 3.495,41 3.991,42 5.646,43 3.795,44 4.861,45 5.189,46 3.435,47 3.871,48 5.584,49 3.663,50 4.676,51 4.992,52 3.371,53 3.626,54 5.661,55 3.46,56 0.078,57 0.705,58 11.302,59 3.96,60 14.866,61 6.17,62 0.197,63 1.063,64 18.789,65 7.332,66 24.524,67 10.755,68 0.138,69 1.322,70 23.933,71 8.68,72 24.423,73 13.407,74 0.276,75 1.454,76 29.562,77 10.036,78 47.662,79 15.719,80 0.254,81 1.431,82 30.063,83 10.06,84 44.955,85 15.925,86 0.211,87 1.349,88 29.542,89 10.434,90 35.756,91 16.228,92 0.184,93 1.234,94 29.151,95 10.034,96 33.998,97 15.865,98 0.295,99 1.072,100 24.986,101 6.704,102 51.743,103 11.609,104 54,105 33,106 0.236,107 0.555,108 0.675,109 0.71,110 0.71,111 0.71,112 3.147,113 0.989,114 -4.5,115 -4.43,116 -4.17,119 36.2,120 4,121 1,122 2,139 2,140 4,141 1,142 1,144 1,147 1,157 3,158 3,159 3,166 12,169 1,170 2,172 3,173 3,175 3,178 15,180 3,182 2,187 5,189 14,191 5,193 2,195 1,196 1,197 1,198 7,200 2,201 15,204 7,205 1,207 4,212 4,215 14,218 4,221 4,226 4,229 8,231 4,234 4,239 4,243 4,246 8,248 2,249 2,250 1,251 6,253 2,256 6,258 1,265 2,270 2,273 624,274 13.93,275 13.93,276 13.93,277 13.93,278 13.93,279 12.374,280 20.97,281 7.958,282 14.124,283 11.287,284 11.287,285 11.287,286 11.287,287 11.287,288 8.898,289 25.35,290 3.737,291 11.613,292 4.196,293 2.362,294 1.671,295 1.469,296 1.469,297 1.469,298 3.797,300 1,301 1,302 1,303 365,304 3.24,307 151.291,314 1.248,315 17.588,317 1,318 0.75,319 0.83,320 0.83,321 0.9,322 1,323 0.83,324 1,325 0.88,326 46.5,327 181,328 4.48,329 3.364,330 6.683,331 4.145,332 3.151,333 4.146,334 0.68,335 10.634,336 3.129,337 4.232,338 3.071,339 6.089,340 3.824,341 2.864,342 3.877,344 8.845,345 2.757,346 3.659,347 2.779,348 5.859,349 3.491,350 2.491,351 2.935,353 7.772,354 2.491,355 3.603,356 2.519,357 5.267,358 3.252,359 2.287,360 2.875,362 6.677,363 2.21,364 3.361,365 2.156,366 4.918,367 2.944,368 2,369 2.66,371 5.636,372 1.876,373 2.822,374 1.785,375 4.529,376 2.612,377 1.628,378 1.951,380 4,381 1.601,382 2.72,383 1.553,384 4.132,385 2.348,386 1.414,387 1.732,389 3.657,390 1.317,391 2.268,392 1,393 3.71,394 2,395 1,396 1.222,398 2.501,399 1,400 1.687,401 0.706,402 3.167,403 1.408,404 0.452,405 0.537,407 1.126,408 0.431,409 1.278,410 0.273,411 2.592,412 0.986,413 0.035,414 0.041,415 0.084,416 0.034,417 0.799,418 -0.314,419 2.571,420 0.395,421 -0.514,422 -0.621,423 -1.242,424 -0.466,425 0.732,426 -0.364,427 2.359,428 0.343,429 -0.639,430 -0.75,431 -1.719,432 -0.616,433 0.574,434 -0.533,435 2.101,436 0.324,437 -0.657,438 -0.859,439 -2,440 -0.657,441 0.081,442 -0.947,443 1.704,445 -1,446 -1,448 -2,449 -1,451 -1,452 1.639,454 -1,455 -1,457 -2.052,458 -1,459 10.5,460 0.477,461 0.795,462 0.036,463 26.75,464 1.216,465 13.5,466 0.614,467 13.25,468 0.602,469 20.714,470 0.942,471 24.9,472 0.53,473 18.415,474 0.837,475 4.751,476 0.216,477 5.54,478 0.252,479 0.305,481 0.429,485 1.246,486 1.24,487 1.032,488 1.065,489 1.45,490 1.031,491 0.391,492 0.915,493 0.747,494 0.958,495 0.376,496 0.902,497 0.851,498 1.325,499 1.046,500 1.259,501 0.793,502 1.187,503 0.905,504 1.062,505 1.061,506 1.116,507 0.945,508 1.107,509 1.067,510 1.036,511 1.144,512 1.115,513 1.155,514 1.134,515 0.751,516 1.064,517 1.04,518 1.153,519 0.759,520 1.132,521 0.426,522 1.02,523 0.705,524 0.965,525 0.483,526 0.882,527 0.963,528 1.149,529 0.906,530 1.012,531 0.858,532 0.962,533 6,535 2.889,536 2.063,537 1.658,538 0.819,539 0.589,540 0.514,541 0.189,542 0.194,543 4115,544 9315,545 1.894,546 53.2,547 16,548 2,550 1,551 6,555 1.65,556 1.692,557 3.001,558 3.607,559 1,560 1,564 63.873,565 1.359,566 3.192,567 3.884,568 4.086,569 4.086,570 4.086,571 2.409,572 3.607,573 4.433,574 3.173,575 732.987,576 7.64,577 8014.46,579 1,581 1,582 261.066,583 1.564,584 4.332,585 0.261,587 0.088,588 0.059,589 0.052,590 0.029,591 0.025,592 0.022,593 0.009,594 0.024,595 0.569,596 0.17,597 1,598 1.043,599 99.867,600 -0.182,601 0.093,602 -0.006,603 0.106,604 -0.3,605 0.075,606 0.392,607 0.237,608 0.231,609 0.178,610 0.327,611 0.185,612 -0.043,613 -0.173,614 -0.07,615 -0.133,616 -0.032,617 -0.109,618 0.005,619 -0.02,620 -0.085,621 -0.083,622 0.024,623 -0.092,624 -0.168,625 -0.019,626 -0.173,627 -0.095,628 -0.161,629 -0.129,630 -0.037,631 -0.116,632 -0.096,633 -0.127,634 -0.04,635 -0.12,636 0.201,637 -0.19,638 0.223,639 0.017,640 0.146,641 0.106,642 0.221,643 -0.235,644 0.091,645 -0.123,646 0.259,647 -0.045,648 1.468,649 2.331,650 0.545,651 15.851,652 0.986,653 1.141,654 3.273,655 10.713,656 0.631,657 3.178,658 3.526,659 3.738,660 3.951,661 4.143,662 4.111,663 4.19,664 4.19,665 4.078,666 4.143,667 5.139,668 0.582,669 299.47,670 3.178,671 4.727,672 5.565,673 6.447,674 7.307,675 8.19,676 9.059,677 9.94,678 10.814,679 11.695,680 10.6,684 3,690 2,695 3,696 2,700 7,702 12,711 3,718 47,719 12,720 1,721 23,723 48,724 17,725 10,726 4,727 2,729 2,730 2,734 4,739 1,741 10,742 7,743 2,753 1,754 1,757 25,758 5,759 6,760 5,764 5,769 1,776 1,781 2,802 2,806 4,810 22,811 3,816 1,820 2,836 13,837 9.317,838 4.806,839 2.821,840 2.254,841 1.349,842 0.951,843 4.916,844 8.708,845 3.401,846 4.025,847 4.559,848 5.085,849 5.602,850 5.706,851 5.97,852 6.231,853 6.506,854 6.841,855 1,856 35,857 8.087,859 3.295,860 7.674,861 15.575,863 12.506,865 2.174,866 47.833,869 1,870 223.651,871 85.561,872 132.263,877 85.561,878 223.651,879 132.263,880 35.301,881 2.535,882 117.644,883 45.342,884 24.546,885 4.227,886 211.88,888 223.651,889 217.824,893 223.651,897 48.782,898 135.471,899 33.571,901 223.651,902 132.263,903 85.561,906 223.651,907 22.261,908 63.301,910 132.263,911 223.651,912 132.263,913 85.561,915 0.597,916 0.342,917 0.175,918 0.096,919 15,920 9,921 0.083,922 4,924 1,925 3.198,926 167.616,928 12,929 84.107,933 16.563,934 6.53,935 3.705,937 132.263,938 6.001,939 8.053,943 5.929,945 98.692,946 441.475,947 29,956 46.345,957 53.644,958 0.245,959 0.575,960 0.699,961 0.736,962 0.736,963 0.736,964 4.654,965 1,966 5.595,967 3.657,968 4.205,969 4.71,970 0.655,971 6.422,972 4.154,973 5.89,974 0.452,975 7.182,976 2.501,977 4.007,978 4.677,980 7.372,981 3.944,982 7.213,983 0.035,984 8.864,985 1.126,986 5.826,987 6.914,988 0.356,989 10.44,990 5.741,991 8.568,992 -0.514,993 10.598,994 0.084,995 6.347,996 7.598,998 12.148,999 6.255,1000 9.949,1001 -0.639,1002 12.363,1003 -1.242,1004 7.727,1005 9.396,1006 0.18,1007 14.768,1008 7.618,1009 11.349,1010 -0.657,1011 14.151,1012 -1.719,1013 8.569,1014 10.418,1016 16.814,1017 8.453,1018 12.765,1019 -1,1020 15.956,1021 -2,1022 9.784,1023 12.024,1024 0.087,1025 19.266,1026 9.655,1027 3.151,1028 -1,1029 17.773,1030 -2,1031 10.775,1032 13.222,1034 21.472,1035 10.641,1036 2.864,1037 10.634,1038 19.602,1039 -2.052,1040 11.928,1041 14.733,1042 0.041,1043 23.861,1044 11.783,1045 2.491,1046 8.845,1047 21.438,1048 4.146,1049 12.99,1050 16.026,1052 26.144,1053 12.839,1054 2.287,1055 7.772,1056 23.283,1057 3.877,1058 14.122,1059 17.487,1060 0.019,1061 28.509,1062 13.963,1063 2,1064 6.677,1065 25.133,1066 2.935,1067 15.218,1068 18.832,1070 30.83,1071 15.054,1072 1.628,1073 5.636,1074 26.989,1075 2.875,1076 16.345,1077 20.267,1078 0.009,1079 33.188,1080 16.174,1081 1.414,1082 4,1083 28.849,1084 2.66,1085 17.459,1086 21.641,1088 35.528,1089 17.283,1090 4298,1091 6595,1092 14.046,1093 29.643,1094 35,1095 35.002,1096 37.054,1097 34.63,1098 34.646,1099 43.952,1100 1.36,1101 101.863,1102 33.692,1103 5.256,1104 5.364,1105 5.986,1106 5.214,1107 5.151,1108 7.146,1109 1.36,1110 17.854,1111 5.129,1112 15.127,1113 1.522,1114 1.522,1115 1.611,1116 1.506,1117 1.506,1118 1.911,1119 0.059,1120 4.429,1121 1.465,1122 4.032,1123 4.065,1124 3.977,1125 3.97,1126 5.291,1127 3.968,1128 3.839,1129 3.893,1130 3.798,1131 3.684,1132 5.087,1133 3.705,1134 3.597,1135 3.666,1136 3.428,1137 3.478,1138 4.978,1139 3.458,1140 3.439,1141 3.513,1142 3.28,1143 3.295,1144 4.527,1145 3.282,1146 3.188,1147 3.288,1148 3.038,1149 2.961,1150 4.417,1151 2.971,1152 3.032,1153 3.161,1154 2.878,1155 2.711,1156 4.19,1157 2.74,1158 2.886,1159 3.009,1160 2.728,1161 2.618,1162 4.064,1163 2.604,1164 2.874,1165 3.009,1166 2.499,1167 2.618,1168 3.745,1169 2.57,1170 0.195,1171 0.146,1172 0.291,1173 0.18,1174 0.137,1175 4.48,1176 0.18,1177 3.364,1178 0.03,1179 6.683,1180 0.462,1181 4.145,1182 0.136,1183 3.151,1184 4.146,1185 0.68,1186 10.634,1187 3.129,1188 2.002,1189 1.977,1190 2.113,1191 2.087,1192 1.352,1193 2.096,1194 1.772,1195 1.725,1196 1.903,1197 1.959,1198 1.117,1199 1.938,1200 1.628,1201 1.564,1202 1.888,1203 1.795,1204 1.063,1205 1.836,1206 1.444,1207 1.376,1208 1.684,1209 1.635,1210 0.734,1211 1.664,1212 1.135,1213 1.051,1214 1.417,1215 1.433,1216 0.469,1217 1.431,1218 0.934,1219 0.816,1220 1.417,1221 1.333,1222 0.469,1223 1.322,1224 0.934,1225 0.804,1226 1.387,1227 1.239,1228 0.37,1229 1.308,1230 0.93,1231 0.804,1232 1.245,1233 1.239,1234 0.142,1235 1.308,1236 3.85,1238 5.187,1240 6.711,1242 8.324,1244 9.986,1246 8.612,1250 17.82,1252 0.672,1256 0.745,1262 27.375,1263 63.873,1264 150.046,1265 182.536,1266 192.046,1267 192.046,1268 192.046,1269 41.273,1270 6.454,1271 103.84,1272 103.84,1273 12,1274 12.232,1275 3.7,1276 2.807,1277 42.002,1278 67,1279 70,1280 0.314,1281 175.461,1282 295.3,1283 419.884,1284 4283,1286 16.439,1287 0.747,1288 0.624,1289 16.439,1290 13.72,1291 10.291,1292 0.447,1293 0.33,1294 7.522,1295 10.051,1296 7.129,1297 6.083,1298 10.291,1299 7.582,1300 9.904,1301 0.3,1302 0.191,1303 9.904,1304 6.313,1305 7.52,1306 0.183,1307 0.094,1308 7.52,1309 3.859,1310 6.07,1311 0.119,1312 0.051,1313 6.07,1314 2.611,1315 4.64,1316 0.075,1317 0.029,1318 4.64,1319 1.801,1320 0.477,1321 63.472,1322 0.267,1323 21.293,1324 0.907,1325 112,1326 253.227,1327 119.077,1328 261.596,1329 363.61,1330 242,1331 130,1332 278.817,1333 136.495,1334 290.678,1335 418.33,1336 271,1337 4.469}
{0 CHEMBL116815,1 1.617,2 10.292,3 2.315,4 5.357,5 96.194,6 7.568,7 0.654,8 3.876,9 4.005,10 3.445,11 3.344,12 5.068,13 3.354,14 4.348,15 4.518,16 3.774,17 3.694,18 5.509,19 3.686,20 4.491,21 4.662,22 3.822,23 3.829,24 5.595,25 3.799,26 4.598,27 4.806,28 3.748,29 3.83,30 5.677,31 3.752,32 4.655,33 4.905,34 3.602,35 3.761,36 5.653,37 3.657,38 4.512,39 4.746,40 3.367,41 3.644,42 5.452,43 3.529,44 4.47,45 4.764,46 3.318,47 3.543,48 5.338,49 3.42,50 4.265,51 4.513,52 3.335,53 3.41,54 5.239,55 3.341,56 0.079,57 0.658,58 8.833,59 3.382,60 11.799,61 4.501,62 0.31,63 0.966,64 16.06,65 5.765,66 28.558,67 7.546,68 0.235,69 1.134,70 17.942,71 6.232,72 21.638,73 8.606,74 0.313,75 1.182,76 20.931,77 7.465,78 33.075,79 10.747,80 0.514,81 1.125,82 24.551,83 7.77,84 44.847,85 11.269,86 0.358,87 0.977,88 20.798,89 6.685,90 35.685,91 9.494,92 0.308,93 0.897,94 21.304,95 6.594,96 33.139,97 10.07,98 0.238,99 0.749,100 16.645,101 5.402,102 24.52,103 7.764,104 21,105 36,106 0.282,107 0.635,108 0.747,109 0.817,110 0.817,111 0.817,112 3.228,113 0.851,114 -3.47,115 -3.45,116 -3.3,119 39.5,124 2,125 1,139 6,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 7,172 3,173 3,175 4,178 5,180 1,182 5,187 5,189 3,191 1,192 1,193 3,195 1,196 1,197 1,198 3,200 2,201 2,204 3,205 1,207 1,210 4,211 1,212 4,214 1,215 6,218 3,229 4,234 6,238 1,239 1,240 1,241 2,243 1,246 8,251 2,254 2,256 2,265 1,270 1,273 754,274 16.221,275 16.221,276 16.221,277 16.221,278 16.221,279 14.188,280 24.663,281 9.465,282 16.815,283 12.726,284 12.726,285 12.726,286 12.726,287 12.726,288 9.489,289 36.429,290 4.384,291 13.493,292 3.809,293 1.782,294 1.14,295 0.733,296 0.733,297 0.733,298 3.91,300 1,301 1,302 1,303 523,304 2.828,307 204.722,311 106.654,314 1.542,315 20.183,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 52.5,327 247,328 4.541,329 3.129,330 6.502,331 4.047,332 3.079,333 4.491,334 0.86,335 10.175,336 2.983,337 4.198,338 3.083,339 5.787,340 3.787,341 2.821,342 3.84,343 0.86,344 8.314,345 2.724,346 3.774,347 2.641,348 5.323,349 3.368,350 2.422,351 3.234,352 0.657,353 6.913,354 2.29,355 3.435,356 2.555,357 5.063,358 3.043,359 2.099,360 2.811,362 5.96,363 1.981,364 3.41,365 2.364,366 5.006,367 2.972,368 2.061,369 2.723,371 5.818,372 1.892,373 3.355,374 2.152,375 4.969,376 2.957,377 2.013,378 2.604,380 5.797,381 1.867,382 3.304,383 2.019,384 4.937,385 2.877,386 1.924,387 2.575,389 5.689,390 1.824,391 2.454,392 1.159,393 3.71,394 1.983,395 1.009,396 1.434,398 2.565,399 0.981,400 1.914,401 1.058,402 3.274,403 1.656,404 0.721,405 0.829,407 1.717,408 0.671,409 1.592,410 0.916,411 2.842,412 1.324,413 0.47,414 0.516,415 0.679,416 0.398,417 1.576,418 0.879,419 2.795,420 1.27,421 0.396,422 0.452,423 0.602,424 0.342,425 1.368,426 0.169,427 2.735,428 0.966,429 0.022,430 0.029,431 0.056,432 0.021,433 0.976,434 -0.277,435 2.579,436 0.498,437 -0.432,438 -0.561,439 -1.137,440 -0.399,441 0.792,442 -0.321,443 2.45,444 0.42,445 -0.541,446 -0.673,448 -1.475,449 -0.518,450 0.65,451 -0.339,452 2.144,453 0.24,454 -0.694,455 -0.878,457 -1.599,458 -0.637,459 11.167,460 0.465,461 0.588,462 0.024,463 34.5,464 1.438,465 18.5,466 0.771,467 16,468 0.667,469 15.681,470 0.653,471 26.033,472 0.605,473 24.88,474 1.037,475 7.12,476 0.297,477 4.464,478 0.186,479 0.161,481 0.358,485 1.062,486 1.282,487 0.818,488 1.053,489 1.24,490 0.901,491 1.184,492 0.871,493 0.804,494 0.813,495 0.705,496 0.769,497 1.174,498 1.276,499 1.054,500 1.117,501 1.011,502 1.069,503 0.647,504 1.286,505 1.023,506 1.32,507 0.731,508 1.25,509 0.934,510 0.852,511 1.038,512 0.973,513 0.969,514 1.026,515 1.278,516 1.038,517 1.279,518 1.12,519 1.214,520 1.198,521 0.684,522 0.68,523 0.795,524 0.778,525 0.656,526 0.789,527 1.05,528 0.913,529 0.782,530 0.852,531 0.763,532 0.792,533 6,534 0.136,535 2,536 1.75,537 1.791,538 0.535,539 0.345,540 0.311,541 0.148,542 0.257,543 6422,544 18512,545 2.04,546 44.2,548 14,551 5,555 1.666,556 1.895,557 3.339,558 2.661,559 1,560 1,562 1,564 69.522,565 1.617,566 3.644,567 4.286,568 4.693,569 4.693,570 4.693,571 2.757,572 4.002,573 4.56,574 3.493,575 964.047,576 7.852,577 11534.3,579 1,581 1,582 233.329,583 1.459,584 4.507,585 0.231,586 0.008,587 0.056,588 0.047,589 0.056,590 0.02,591 0.016,592 0.015,593 0.007,594 0.014,595 0.469,596 0.17,597 1,598 0.921,599 114.967,600 -0.147,601 -0.058,602 0.023,603 -0.002,604 -0.273,605 0.046,606 -0.032,607 0.217,608 0.125,609 0.21,610 0.179,611 0.186,612 -0.215,613 -0.151,614 -0.161,615 -0.1,616 -0.183,617 -0.117,618 0.136,619 -0.245,620 -0.109,621 -0.305,622 0.1,623 -0.26,624 0.058,625 0.086,626 -0.043,627 -0.002,628 0.016,629 -0.042,630 -0.251,631 -0.09,632 -0.304,633 -0.13,634 -0.314,635 -0.216,636 0.046,637 0.199,638 0.215,639 0.196,640 0.111,641 0.241,642 -0.046,643 -0.019,644 0.221,645 0.156,646 0.118,647 0.225,648 1.496,649 1.917,650 0.667,651 19.486,652 1.008,653 1.135,654 2.245,655 5.038,656 0.657,657 3.296,658 3.611,659 3.85,660 4.111,661 4.344,662 4.331,663 4.369,664 4.394,665 4.511,666 4.554,667 6.171,668 0.633,669 325.41,670 3.296,671 4.828,672 5.666,673 6.541,674 7.396,675 8.273,676 9.133,677 10.01,678 10.873,679 11.75,680 11.6,684 2,685 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,712 1,716 2,718 43,719 17,720 2,721 26,723 45,724 17,725 14,726 6,727 6,729 3,730 4,741 14,742 3,753 1,754 1,757 19,758 7,759 5,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 1,817 1,818 2,829 4.7,834 2,836 12.667,837 8.15,838 5.389,839 2.165,840 3.36,841 1.474,842 0.992,843 4.805,844 10.455,845 3.57,846 4.22,847 4.822,848 5.437,849 6.017,850 6.244,851 6.538,852 6.841,853 7.258,854 7.34,855 0.857,856 37,857 8.766,859 3.602,860 7.764,861 16.526,863 12.963,865 2.264,866 54.333,869 1,870 164.795,871 106.103,872 117.376,874 22,877 106.103,878 186.795,879 117.376,880 21.766,881 2.106,882 122.652,883 51.582,884 43.146,885 4.227,886 164.795,888 164.795,889 223.479,890 22,893 164.795,894 22,897 6.149,898 165.748,899 51.582,901 164.795,902 139.376,903 106.103,906 164.795,907 27.479,908 78.624,909 18.011,910 121.365,911 164.795,912 139.376,913 106.103,915 0.576,916 0.339,917 0.186,918 0.107,919 17,920 8,921 0.111,922 5,923 1,924 1.125,925 3.609,926 189.487,927 0.125,928 16,929 102.039,933 16.455,934 7.008,935 3.758,936 1.478,937 139.376,938 11.427,939 8.157,943 3.973,945 83.805,946 410.274,947 34.5,956 43.349,957 48.817,958 0.298,959 0.672,960 0.79,961 0.865,962 0.865,963 0.865,964 4.79,965 1.009,966 5.652,967 5.689,968 4.29,969 4.905,970 1.573,971 6.438,972 4.188,973 6.015,974 0.721,975 7.195,976 2.565,977 3.892,978 4.808,980 7.248,981 3.753,982 7.332,983 0.47,984 8.828,985 1.717,986 5.866,987 7.183,988 1.27,989 10.311,990 5.688,991 8.683,992 0.396,993 10.511,994 0.679,995 6.217,996 7.852,998 11.897,999 6.002,1000 10.06,1001 0.022,1002 12.226,1003 0.602,1004 7.684,1005 9.735,1006 1.022,1007 14.494,1008 7.444,1009 11.456,1010 -0.432,1011 13.963,1012 0.056,1013 8.404,1014 10.797,1016 16.459,1017 8.132,1018 12.868,1019 -0.541,1020 15.719,1021 -1.137,1022 9.658,1023 12.464,1024 0.818,1025 18.88,1026 9.364,1027 3.079,1028 -0.694,1029 17.49,1030 -1.475,1031 10.572,1032 13.738,1034 21.032,1035 10.246,1036 2.821,1037 10.175,1038 19.275,1039 -1.599,1040 11.734,1041 15.305,1042 0.65,1043 23.384,1044 11.385,1045 2.422,1046 8.314,1047 21.071,1048 4.491,1049 12.746,1050 16.689,1052 25.623,1053 12.366,1054 2.099,1055 6.913,1056 22.877,1057 3.84,1058 13.871,1059 18.212,1060 0.511,1061 27.949,1062 13.466,1063 2.061,1064 5.96,1065 24.692,1066 3.234,1067 14.932,1068 19.652,1070 30.229,1071 14.495,1072 2.013,1073 5.818,1074 26.515,1075 2.811,1076 16.044,1077 21.156,1078 0.399,1079 32.547,1080 15.58,1081 1.924,1082 5.797,1083 28.345,1084 2.723,1085 17.129,1086 22.624,1088 34.846,1089 16.634,1090 6298,1091 10801,1092 17.107,1093 28.267,1094 37.996,1095 39.074,1096 39.492,1097 37.976,1098 38.076,1099 51.075,1100 4.755,1101 108.568,1102 35.949,1103 5.371,1104 5.129,1105 6.055,1106 5.118,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.983,1112 12.698,1113 1.461,1114 1.503,1115 1.519,1116 1.461,1117 1.464,1118 1.964,1119 0.183,1120 4.176,1121 1.383,1122 4.071,1123 4.107,1124 4.04,1125 3.975,1126 5.308,1127 3.986,1128 3.924,1129 3.943,1130 3.875,1131 3.84,1132 4.982,1133 3.845,1134 3.522,1135 3.592,1136 3.456,1137 3.307,1138 4.922,1139 3.338,1140 3.303,1141 3.355,1142 3.148,1143 3.073,1144 4.712,1145 3.082,1146 3.284,1147 3.353,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.132,1153 3.237,1154 3.021,1155 2.904,1156 4.313,1157 2.92,1158 3.076,1159 3.176,1160 2.859,1161 2.818,1162 4.15,1163 2.809,1164 2.804,1165 2.888,1166 2.648,1167 2.611,1168 3.886,1169 2.617,1170 0.175,1171 0.12,1172 0.25,1173 0.156,1174 0.118,1175 4.541,1176 0.173,1177 3.129,1178 0.033,1179 6.502,1180 0.391,1181 4.047,1182 0.115,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.983,1188 2.012,1189 1.984,1190 2.078,1191 2.129,1192 1.204,1193 2.115,1194 1.891,1195 1.874,1196 1.986,1197 2.001,1198 1.125,1199 1.996,1200 1.432,1201 1.369,1202 1.608,1203 1.689,1204 0.688,1205 1.667,1206 1.238,1207 1.173,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.522,1215 1.506,1216 0.537,1217 1.519,1218 1.079,1219 0.993,1220 1.398,1221 1.386,1222 0.395,1223 1.372,1224 1.038,1225 0.947,1226 1.294,1227 1.341,1228 0.206,1229 1.369,1230 0.783,1231 0.699,1232 1.081,1233 1.02,1234 0.09,1235 1.045,1236 3.97,1238 5.283,1240 6.795,1242 8.401,1244 10.059,1246 3.258,1250 11.528,1252 0.606,1253 3.344,1254 10.563,1262 27.224,1263 69.522,1264 156.7,1265 184.31,1266 201.82,1267 201.82,1268 201.82,1269 31.821,1270 7.095,1271 108.31,1272 108.31,1273 18,1274 12.291,1275 4.17,1276 3.248,1277 39.431,1278 91,1279 76,1280 0.216,1281 170.205,1282 284.34,1283 407.06,1284 11138,1286 17.104,1287 0.713,1288 0.564,1289 17.104,1290 13.537,1291 11.584,1292 0.446,1293 0.284,1294 7.221,1295 11,1296 6.996,1297 5.866,1298 11.584,1299 7.374,1300 10.356,1301 0.288,1302 0.146,1303 10.356,1304 5.273,1305 8.505,1306 0.185,1307 0.079,1308 8.505,1309 3.65,1310 7.11,1311 0.118,1312 0.041,1313 7.11,1314 2.453,1315 5.894,1316 0.078,1317 0.022,1318 5.894,1319 1.696,1320 0.342,1321 73.583,1322 0.242,1323 23.527,1324 0.583,1325 124,1326 379.719,1327 137.861,1328 366.44,1329 504.46,1330 344,1331 144,1332 375.105,1333 156.809,1334 383.917,1335 553.59,1336 357,1337 6.076}
{0 CHEMBL116816,1 1.617,2 10.208,3 2.315,4 5.357,5 96.194,6 7.568,7 0.654,8 3.876,9 4.005,10 3.445,11 3.344,12 5.068,13 3.354,14 4.348,15 4.518,16 3.774,17 3.694,18 5.504,19 3.686,20 4.491,21 4.662,22 3.847,23 3.83,24 5.601,25 3.806,26 4.608,27 4.805,28 3.746,29 3.845,30 5.693,31 3.77,32 4.675,33 4.928,34 3.586,35 3.791,36 5.662,37 3.668,38 4.565,39 4.842,40 3.429,41 3.641,42 5.452,43 3.527,44 4.413,45 4.658,46 3.394,47 3.53,48 5.379,49 3.455,50 4.256,51 4.465,52 3.36,53 3.487,54 5.266,55 3.407,56 0.079,57 0.658,58 8.833,59 3.382,60 11.864,61 4.501,62 0.31,63 0.966,64 16.06,65 5.765,66 28.276,67 7.546,68 0.22,69 1.134,70 17.915,71 6.227,72 21.228,73 8.606,74 0.335,75 1.191,76 21.123,77 7.444,78 34.189,79 10.413,80 0.512,81 1.17,82 24.728,83 8.057,84 45.053,85 11.915,86 0.313,87 0.997,88 22.93,89 7.077,90 35.378,91 10.703,92 0.397,93 0.846,94 19.678,95 6.03,96 34.955,97 8.396,98 0.174,99 0.794,100 15.203,101 5.546,102 19.204,103 7.722,104 21,105 36,106 0.282,107 0.635,108 0.755,109 0.842,110 0.858,111 0.882,112 3.228,113 0.852,114 -3.47,115 -3.45,116 -3.3,119 39.5,124 2,125 1,139 6,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 7,172 3,173 3,175 4,178 4,180 1,182 7,187 4,189 4,191 1,193 1,195 1,196 2,197 1,198 4,200 2,201 2,204 3,205 1,206 1,207 1,210 3,211 1,212 4,214 1,215 4,218 3,221 2,229 4,234 6,238 1,239 1,240 1,241 4,243 1,246 4,251 1,254 2,256 1,259 2,260 2,262 1,263 1,265 2,270 2,273 754,274 16.273,275 16.273,276 16.273,277 16.273,278 16.273,279 14.213,280 23.178,281 9.454,282 16.86,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.461,289 32.234,290 4.328,291 13.459,292 3.809,293 1.782,294 1.093,295 0.593,296 0.5,297 0.361,298 3.91,300 1,301 1,302 1,303 519,304 2.828,307 202.314,311 104.615,314 1.458,315 20.372,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 52.5,327 245,328 4.541,329 3.197,330 6.502,331 4.047,332 3.079,333 4.491,334 0.86,335 10.175,336 2.983,337 4.267,338 3.113,339 6.173,340 3.871,341 2.905,342 3.911,343 0.86,344 9.172,345 2.804,346 3.77,347 2.694,348 5.313,349 3.357,350 2.41,351 3.232,352 0.657,353 6.885,354 2.28,355 3.543,356 2.56,357 5.22,358 3.158,359 2.235,360 2.856,362 6.487,363 2.055,364 3.429,365 2.196,366 5.062,367 2.974,368 2.044,369 2.811,371 5.803,372 1.896,373 3.373,374 2.074,375 4.971,376 2.909,377 1.965,378 2.696,380 5.756,381 1.85,382 2.918,383 1.951,384 4.391,385 2.555,386 1.594,387 2.058,389 4.254,390 1.526,391 2.454,392 1.258,393 3.71,394 1.983,395 1.008,396 1.434,398 2.565,399 0.98,400 2.032,401 1.059,402 3.284,403 1.726,404 0.805,405 0.955,407 1.761,408 0.734,409 1.815,410 0.923,411 3.014,412 1.549,413 0.656,414 0.736,415 1.223,416 0.582,417 1.471,418 0.877,419 2.756,420 1.191,421 0.332,422 0.366,423 0.463,424 0.283,425 1.338,426 0.224,427 2.641,428 0.956,429 0.021,430 0.027,431 0.049,432 0.02,433 0.976,434 -0.026,435 2.529,436 0.518,437 -0.407,438 -0.499,439 -0.812,440 -0.373,441 0.818,442 -0.295,443 2.39,444 0.456,445 -0.471,446 -0.588,448 -1.154,449 -0.431,450 0.639,451 -0.395,452 2.206,453 0.236,454 -0.706,455 -0.867,457 -1.804,458 -0.658,459 11.167,460 0.465,461 0.571,462 0.024,463 34.5,464 1.438,465 18.5,466 0.771,467 16,468 0.667,469 15.775,470 0.657,471 26.033,472 0.605,473 24.973,474 1.041,475 7.136,476 0.297,477 4.465,478 0.186,479 0.161,481 0.358,485 1.062,486 1.282,487 0.818,488 1.053,489 1.237,490 0.901,491 1.184,492 0.871,493 0.804,494 0.813,495 0.727,496 0.769,497 1.146,498 1.276,499 1,500 1.11,501 0.943,502 1.036,503 0.977,504 1.269,505 1.159,506 1.301,507 0.917,508 1.28,509 0.67,510 0.953,511 1.052,512 1.088,513 0.895,514 1.133,515 0.846,516 0.868,517 0.914,518 0.928,519 0.835,520 0.921,521 1.424,522 0.655,523 1.016,524 0.732,525 1.054,526 0.801,527 0.981,528 1.192,529 1.018,530 1.227,531 0.891,532 1.156,533 5.5,534 0.136,535 2.667,536 1.5,537 1.711,538 0.646,539 0.345,540 0.295,541 0.242,542 0.217,543 6310,544 18160,545 2.04,546 44.2,548 14,551 5,555 1.667,556 1.895,557 3.315,558 2.661,559 1,560 1,562 1,564 69.522,565 1.617,566 3.644,567 4.333,568 4.833,569 4.926,570 5.066,571 2.709,572 3.835,573 4.56,574 3.46,575 954.832,576 7.859,577 11355.9,579 1,581 1,582 233.329,583 1.459,584 4.507,585 0.212,586 0.009,587 0.074,588 0.039,589 0.053,590 0.025,591 0.015,592 0.013,593 0.011,594 0.011,595 0.462,596 0.17,597 1,598 0.921,599 114.568,600 -0.147,601 -0.058,602 0.023,603 -0.002,604 -0.27,605 0.046,606 -0.032,607 0.217,608 0.125,609 0.21,610 0.156,611 0.186,612 -0.186,613 -0.151,614 -0.106,615 -0.094,616 -0.115,617 -0.083,618 -0.044,619 -0.222,620 -0.239,621 -0.29,622 -0.036,623 -0.309,624 0.164,625 -0.002,626 -0.078,627 -0.107,628 0.019,629 -0.136,630 -0.035,631 0.031,632 0.087,633 0.047,634 -0.009,635 0.093,636 -0.201,637 0.246,638 0.01,639 0.245,640 -0.103,641 0.179,642 -0.079,643 -0.215,644 -0.082,645 -0.184,646 -0.08,647 -0.143,648 1.498,649 1.921,650 0.667,651 19.25,652 1.008,653 1.135,654 2.245,655 5.038,656 0.657,657 3.296,658 3.611,659 3.871,660 4.111,661 4.344,662 4.357,663 4.369,664 4.394,665 4.543,666 4.575,667 6.047,668 0.633,669 325.41,670 3.296,671 4.828,672 5.673,673 6.547,674 7.408,675 8.284,676 9.15,677 10.027,678 10.896,679 11.773,680 11.6,684 2,685 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,712 1,716 2,718 43,719 17,720 2,721 26,723 45,724 17,725 14,726 6,727 6,729 3,730 4,741 14,742 3,753 1,754 1,757 19,758 7,759 5,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 1,817 1,818 2,829 4.7,834 2,836 12.667,837 8.15,838 5.417,839 2.172,840 3.404,841 1.48,842 0.992,843 4.805,844 10.499,845 3.57,846 4.22,847 4.834,848 5.43,849 6.019,850 6.249,851 6.532,852 6.847,853 7.273,854 7.35,855 0.857,856 38,857 8.768,859 3.604,860 7.764,861 16.526,863 12.968,865 2.264,866 54.333,869 1,870 164.795,871 106.103,872 117.376,874 22,877 106.103,878 186.795,879 117.376,880 21.766,881 2.106,882 122.652,883 51.582,884 43.146,885 4.227,886 164.795,888 164.795,889 223.479,890 22,893 164.795,894 22,897 6.149,898 165.748,899 51.582,901 164.795,902 139.376,903 106.103,906 164.795,907 27.479,908 78.624,909 18.011,910 121.365,911 164.795,912 139.376,913 106.103,915 0.577,916 0.346,917 0.187,918 0.103,919 17,920 8,921 0.111,922 5,923 1,924 1.125,925 3.591,926 190.566,927 0.125,928 16,929 110.039,933 16.455,934 7.008,935 3.591,936 1.469,937 139.376,938 11.35,939 8.16,943 3.979,945 83.805,946 410.274,947 34.5,956 43.349,957 48.817,958 0.298,959 0.672,960 0.798,961 0.891,962 0.908,963 0.934,964 4.79,965 1.008,966 5.659,967 4.254,968 4.29,969 4.905,970 1.573,971 6.457,972 4.188,973 6.015,974 0.805,975 7.213,976 2.565,977 3.892,978 4.808,980 7.322,981 3.753,982 7.334,983 0.656,984 8.86,985 1.761,986 5.878,987 7.19,988 1.27,989 10.384,990 5.699,991 8.69,992 0.332,993 10.561,994 1.223,995 6.256,996 7.878,998 12.037,999 6.041,1000 10.074,1001 0.021,1002 12.296,1003 0.463,1004 7.722,1005 9.755,1006 1.022,1007 14.625,1008 7.481,1009 11.478,1010 -0.407,1011 14.054,1012 0.049,1013 8.471,1014 10.833,1016 16.631,1017 8.197,1018 12.897,1019 -0.471,1020 15.83,1021 -0.812,1022 9.723,1023 12.494,1024 0.818,1025 19.044,1026 9.427,1027 3.079,1028 -0.706,1029 17.62,1030 -1.154,1031 10.658,1032 13.775,1034 21.212,1035 10.329,1036 2.905,1037 10.175,1038 19.421,1039 -1.804,1040 11.82,1041 15.338,1042 0.65,1043 23.557,1044 11.468,1045 2.41,1046 9.172,1047 21.232,1048 4.491,1049 12.844,1050 16.724,1052 25.797,1053 12.46,1054 2.235,1055 6.885,1056 23.051,1057 3.911,1058 13.97,1059 18.244,1060 0.511,1061 28.116,1062 13.561,1063 2.044,1064 6.487,1065 24.877,1066 3.232,1067 15.038,1068 19.683,1070 30.39,1071 14.597,1072 1.965,1073 5.803,1074 26.708,1075 2.856,1076 16.151,1077 21.185,1078 0.399,1079 32.7,1080 15.683,1081 1.594,1082 5.756,1083 28.545,1084 2.811,1085 17.24,1086 22.651,1088 34.99,1089 16.74,1090 6195,1091 10618,1092 17.107,1093 28.267,1094 38.055,1095 38.974,1096 39.894,1097 38.028,1098 38.109,1099 51.144,1100 4.755,1101 109.191,1102 35.988,1103 5.378,1104 5.197,1105 6.071,1106 5.119,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.983,1112 12.642,1113 1.464,1114 1.499,1115 1.534,1116 1.463,1117 1.466,1118 1.967,1119 0.183,1120 4.2,1121 1.384,1122 4.072,1123 4.108,1124 4.04,1125 3.975,1126 5.308,1127 3.986,1128 3.925,1129 3.943,1130 3.877,1131 3.84,1132 4.982,1133 3.846,1134 3.518,1135 3.59,1136 3.453,1137 3.306,1138 4.917,1139 3.336,1140 3.33,1141 3.378,1142 3.193,1143 3.073,1144 4.71,1145 3.089,1146 3.223,1147 3.303,1148 3.067,1149 2.986,1150 4.602,1151 2.995,1152 3.133,1153 3.236,1154 3.015,1155 2.895,1156 4.277,1157 2.911,1158 3.118,1159 3.213,1160 2.883,1161 2.862,1162 4.133,1163 2.85,1164 2.826,1165 2.907,1166 2.694,1167 2.638,1168 3.918,1169 2.645,1170 0.175,1171 0.123,1172 0.25,1173 0.156,1174 0.118,1175 4.541,1176 0.173,1177 3.197,1178 0.033,1179 6.502,1180 0.391,1181 4.047,1182 0.115,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.983,1188 2.011,1189 1.984,1190 2.077,1191 2.129,1192 1.204,1193 2.115,1194 1.891,1195 1.874,1196 1.985,1197 2.002,1198 1.125,1199 1.996,1200 1.431,1201 1.366,1202 1.605,1203 1.685,1204 0.686,1205 1.663,1206 1.25,1207 1.193,1208 1.582,1209 1.569,1210 0.584,1211 1.571,1212 1.187,1213 1.111,1214 1.529,1215 1.472,1216 0.549,1217 1.495,1218 1.116,1219 1.024,1220 1.426,1221 1.387,1222 0.398,1223 1.408,1224 1.046,1225 0.967,1226 1.294,1227 1.38,1228 0.209,1229 1.371,1230 0.806,1231 0.726,1232 1.094,1233 1.036,1234 0.115,1235 1.06,1236 3.97,1238 5.283,1240 6.801,1242 8.416,1244 10.08,1246 3.278,1250 11.534,1252 0.571,1253 3.343,1254 10.649,1262 27.224,1263 69.522,1264 156.7,1265 186.31,1266 207.82,1267 211.82,1268 217.82,1269 32.296,1270 7.095,1271 108.31,1272 108.31,1273 18,1274 12.312,1275 4.17,1276 3.248,1277 39.368,1278 89,1279 76,1280 0.221,1281 170.205,1282 284.34,1283 407.06,1284 11138,1286 17.104,1287 0.713,1288 0.564,1289 17.104,1290 13.537,1291 11.601,1292 0.446,1293 0.284,1294 7.227,1295 11.021,1296 7.006,1297 5.871,1298 11.601,1299 7.38,1300 10.25,1301 0.285,1302 0.145,1303 10.25,1304 5.23,1305 8.663,1306 0.184,1307 0.079,1308 8.663,1309 3.713,1310 7.169,1311 0.119,1312 0.042,1313 7.169,1314 2.498,1315 5.751,1316 0.076,1317 0.022,1318 5.751,1319 1.655,1320 0.347,1321 73.684,1322 0.242,1323 23.447,1324 0.602,1325 124,1326 379.719,1327 137.861,1328 366.132,1329 504.98,1330 344,1331 145,1332 376.105,1333 158.142,1334 384.402,1335 555.89,1336 358,1337 5.959}
{0 CHEMBL116993,1 1.453,2 13.6,3 4.914,4 24.145,5 123.524,6 6.776,7 0.563,8 4.161,9 4.293,10 3.635,11 3.674,12 5.233,13 3.639,14 4.682,15 4.869,16 3.934,17 4.032,18 5.692,19 3.966,20 4.884,21 5.091,22 4.012,23 4.163,24 5.842,25 4.077,26 4.978,27 5.201,28 3.952,29 4.185,30 5.912,31 4.077,32 5.016,33 5.243,34 3.909,35 4.221,36 5.878,37 4.092,38 5.092,39 5.353,40 3.863,41 4.223,42 5.901,43 4.066,44 5.128,45 5.424,46 3.841,47 4.134,48 5.895,49 3.98,50 4.944,51 5.207,52 3.771,53 4.014,54 5.876,55 3.891,56 0.063,57 0.851,58 13.688,59 5.526,60 12.723,61 7.663,62 0.293,63 1.292,64 24.334,65 9.451,66 31.955,67 12.866,68 0.332,69 1.524,70 30.023,71 11.021,72 35.538,73 15.657,74 0.376,75 1.609,76 33.49,77 11.984,78 47.896,79 16.882,80 0.333,81 1.654,82 34.676,83 12.748,84 39.621,85 18.025,86 0.28,87 1.738,88 37.546,89 13.708,90 40.807,91 20.002,92 0.371,93 1.664,94 40.098,95 13.7,96 46.035,97 20.213,98 0.565,99 1.481,100 33.452,101 10.213,102 58.016,103 15.351,104 21,105 42,106 0.236,107 0.559,108 0.749,109 0.808,110 0.815,111 0.815,112 3.44,113 0.971,114 -5.06,115 -4.96,116 -4.65,119 40,120 2,121 3,125 3,139 7,140 5,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 16,169 1,170 5,172 3,173 3,175 1,178 17,180 1,181 1,182 8,187 1,189 15,191 1,193 7,195 1,196 1,197 1,198 2,200 2,201 11,204 2,205 1,207 9,212 3,215 8,218 3,221 11,226 3,229 3,231 3,234 9,239 4,241 2,243 4,245 2,246 6,248 1,249 1,251 4,254 8,256 4,260 1,265 2,268 15,270 2,273 1684,274 20.516,275 20.516,276 20.516,277 20.516,278 20.516,279 18.212,280 26.538,281 12.425,282 20.961,283 15.697,284 15.697,285 15.697,286 15.697,287 15.697,288 12.198,289 32.122,290 5.773,291 16.405,292 4.454,293 2.472,294 1.299,295 0.938,296 0.892,297 0.892,298 4.124,301 1,302 1,303 860,304 3.464,307 347.58,314 2.4,315 22.811,318 1,319 0.83,320 0.83,321 1,322 1,323 1,324 1,325 0.95,326 64,327 408,328 4.431,329 3.346,330 6.53,331 4.055,332 3.077,333 4.114,334 1.151,335 10.305,336 3.012,337 4.229,338 3.074,339 6.088,340 3.814,341 2.857,342 3.875,343 0.86,344 8.844,345 2.741,346 3.896,347 2.845,348 5.34,349 3.509,350 2.522,351 3.444,352 0.68,353 6.965,354 2.491,355 3.603,356 2.551,357 5.284,358 3.239,359 2.284,360 2.936,362 6.733,363 2.181,364 3.365,365 2.358,366 5.19,367 3.061,368 2.061,369 2.665,371 6.118,372 2.061,373 3.355,374 2.263,375 4.922,376 2.944,377 2.007,378 2.604,380 5.656,381 1.872,382 2.959,383 2.136,384 4.155,385 2.637,386 1.728,387 2.119,389 3.734,390 1.567,391 2.825,392 1.857,393 3.946,394 2.439,395 1.476,396 1.953,398 3.552,399 1.408,400 2.675,401 1.546,402 3.7,403 2.343,404 1.406,405 1.686,407 3.124,408 1.312,409 2.5,410 1.478,411 3.468,412 2,413 1.087,414 1.5,415 2.439,416 1,417 2.177,418 1,419 3.247,420 1.991,421 1,422 1.158,423 2.136,424 0.972,425 1.71,426 0.995,427 3.037,428 1.542,429 0.614,430 0.656,431 1.215,432 0.564,433 1.618,434 0.65,435 2.923,436 1.396,437 0.396,438 0.466,439 0.884,440 0.396,441 1.576,442 0.456,443 2.859,444 1.346,445 0.395,446 0.452,448 0.603,449 0.374,450 1.202,451 0.422,452 2.432,453 0.977,454 0.042,455 0.046,457 0.078,458 0.039,459 14.267,460 0.476,461 0.571,462 0.019,463 38,464 1.267,465 19.5,466 0.65,467 18.5,468 0.617,469 26.716,470 0.891,471 33.133,472 0.552,473 27.797,474 0.927,475 7.447,476 0.248,477 7.154,478 0.238,479 0.126,481 0.28,485 0.987,486 1.24,487 0.914,488 1.122,489 1.181,490 1.019,491 1.139,492 0.925,493 0.932,494 0.991,495 0.78,496 0.959,497 1.056,498 1.129,499 0.99,500 1.097,501 0.878,502 1.047,503 1.327,504 1.011,505 1.127,506 1.095,507 1.063,508 1.095,509 1.287,510 1.112,511 1.172,512 1.162,513 1.013,514 1.166,515 0.868,516 1.114,517 1.035,518 1.172,519 0.842,520 1.133,521 0.996,522 0.928,523 0.772,524 0.876,525 0.694,526 0.82,527 1.367,528 0.904,529 1.084,530 0.878,531 1.224,532 0.936,533 5.5,534 0.12,535 2.667,536 1.875,537 1.609,538 0.764,539 0.628,540 0.413,541 0.353,542 0.233,543 12678,544 30611,545 2.032,546 50,547 12,548 13,550 1,551 4,555 1.726,556 1.915,557 3.67,558 1.564,564 87.168,565 1.453,566 3.435,567 4.608,568 4.969,569 5.015,570 5.015,571 3.191,572 4.257,573 4.872,574 3.89,575 1692.09,576 8.49,577 24723.7,579 1,582 354.413,583 1.338,584 4.843,585 0.172,586 0.004,587 0.063,588 0.043,589 0.04,590 0.02,591 0.018,592 0.012,593 0.011,594 0.008,595 0.392,597 1,598 0.812,599 157.334,600 -0.058,601 -0.009,602 0.034,604 -0.162,605 0.03,606 0.054,607 0.159,608 0.054,609 0.07,610 0.13,611 0.054,612 0.056,613 -0.081,614 -0.008,615 -0.058,616 0.019,617 -0.041,618 -0.098,619 0.004,620 -0.13,621 -0.085,622 -0.038,623 -0.109,624 -0.157,625 -0.121,626 -0.189,627 -0.135,628 -0.108,629 -0.165,630 -0.017,631 -0.16,632 -0.071,633 -0.167,634 -0.029,635 -0.13,636 0.045,637 -0.074,638 0.224,639 0.086,640 0.143,641 0.161,642 -0.017,643 0.072,644 -0.055,645 0.05,646 -0.017,648 1.474,649 2.642,650 0.6,651 36.151,652 0.992,653 1.13,654 3.833,655 14.694,656 0.647,657 3.497,658 3.761,659 3.989,660 4.205,661 4.394,662 4.344,663 4.407,664 4.466,665 4.554,666 4.595,667 7.839,668 0.606,669 406.58,670 3.497,671 5.004,672 5.826,673 6.676,674 7.516,675 8.372,676 9.22,677 10.079,678 10.932,679 11.794,680 6.7,684 2,690 2,695 8,696 2,700 8,702 18,711 2,716 1,718 60,719 18,720 2,721 32,723 62,724 24,725 16,726 5,727 7,729 3,730 3,734 2,739 3,741 16,742 8,757 30,758 6,759 4,760 6,764 4,769 1,770 2,776 1,781 3,801 1,802 3,806 2,810 30,811 2,816 6,818 2,829 3.3,833 1,834 1,836 15.667,837 11.067,838 6.917,839 3.765,840 2.926,841 1.404,842 0.965,843 8.059,844 10.17,845 3.738,846 4.297,847 4.822,848 5.336,849 5.831,850 5.849,851 6.055,852 6.359,853 6.705,854 6.987,855 1,856 44,857 11.055,859 4.466,860 7.611,861 21.391,863 16.866,865 2.111,866 63.333,869 1,870 306.049,871 139.811,872 99.365,874 22,877 139.811,878 328.048,879 99.365,880 17.65,881 21.381,882 132.128,883 56.342,884 41.219,885 4.227,886 294.278,888 306.049,889 239.176,890 22,893 306.049,894 11,895 11,897 49.978,898 155.627,899 33.571,901 306.049,902 121.365,903 139.811,906 306.049,907 46.779,908 93.032,910 121.365,911 306.049,912 121.365,913 139.811,915 0.561,916 0.33,917 0.181,918 0.099,919 17,920 8,921 0.161,922 10,924 1,925 4.225,926 246.988,928 18,929 133.207,933 22.071,934 10.955,935 6.186,937 121.365,938 16.201,939 8.125,943 7.148,945 65.794,946 567.224,947 41,956 59.549,957 67.81,958 0.246,959 0.582,960 0.78,961 0.841,962 0.849,963 0.849,964 4.938,965 1.476,966 5.778,967 3.734,968 4.443,969 4.984,970 1.801,971 6.529,972 4.365,973 6.118,974 1.406,975 7.298,976 3.552,977 3.892,978 4.691,980 7.322,981 3.807,982 7.403,983 1.087,984 8.918,985 3.124,986 5.974,987 7.135,988 1.797,989 10.402,990 5.841,991 8.724,992 1,993 10.6,994 2.439,995 6.256,996 7.647,998 12.041,999 6.117,1000 10.078,1001 0.614,1002 12.321,1003 2.136,1004 7.774,1005 9.56,1006 1.895,1007 14.629,1008 7.596,1009 11.454,1010 0.396,1011 14.07,1012 1.215,1013 8.465,1014 10.463,1016 16.638,1017 8.274,1018 12.847,1019 0.395,1020 15.84,1021 0.884,1022 9.741,1023 12.134,1024 2.06,1025 19.053,1026 9.519,1027 3.077,1028 0.042,1029 17.626,1030 0.603,1031 10.64,1032 13.25,1034 21.23,1035 10.4,1036 2.857,1037 10.305,1038 19.424,1039 0.078,1040 11.81,1041 14.794,1042 2.265,1043 23.582,1044 11.543,1045 2.522,1046 8.844,1047 21.233,1048 4.114,1049 12.814,1050 16.03,1052 25.836,1053 12.525,1054 2.284,1055 6.965,1056 23.051,1057 3.875,1058 13.94,1059 17.506,1060 2.497,1061 28.166,1062 13.627,1063 2.061,1064 6.733,1065 24.876,1066 3.444,1067 14.994,1068 18.811,1070 30.456,1071 14.659,1072 2.007,1073 6.118,1074 26.707,1075 2.936,1076 16.105,1077 20.25,1078 2.744,1079 32.78,1080 15.747,1081 1.728,1082 5.656,1083 28.544,1084 2.665,1085 17.185,1086 21.595,1088 35.088,1089 16.805,1090 12329,1091 19297,1092 21.266,1093 38.83,1094 45.963,1095 46.795,1096 47.877,1097 45.904,1098 45.903,1099 59.35,1100 5.382,1101 124.771,1102 43.979,1103 5.352,1104 5.346,1105 6.332,1106 5.148,1107 5.077,1108 7.114,1109 2.302,1110 17.226,1111 5.012,1112 14.647,1113 1.436,1114 1.462,1115 1.496,1116 1.435,1117 1.434,1118 1.855,1119 0.168,1120 3.899,1121 1.374,1122 4.023,1123 4.051,1124 3.97,1125 3.953,1126 5.291,1127 3.952,1128 3.906,1129 3.935,1130 3.831,1131 3.843,1132 4.979,1133 3.836,1134 3.831,1135 3.882,1136 3.792,1137 3.674,1138 4.838,1139 3.697,1140 3.524,1141 3.566,1142 3.385,1143 3.342,1144 4.76,1145 3.318,1146 3.478,1147 3.557,1148 3.284,1149 3.294,1150 4.513,1151 3.307,1152 3.357,1153 3.438,1154 3.197,1155 3.194,1156 4.441,1157 3.183,1158 3.164,1159 3.239,1160 2.997,1161 2.975,1162 4.226,1163 2.97,1164 3.101,1165 3.19,1166 2.948,1167 2.881,1168 4.069,1169 2.883,1170 0.138,1171 0.105,1172 0.204,1173 0.127,1174 0.096,1175 4.431,1176 0.129,1177 3.346,1178 0.036,1179 6.53,1180 0.322,1181 4.055,1182 0.094,1183 3.077,1184 4.114,1185 1.151,1186 10.305,1187 3.012,1188 1.982,1189 1.961,1190 2.09,1191 2.074,1192 1.321,1193 2.078,1194 1.904,1195 1.877,1196 2.035,1197 1.995,1198 1.14,1199 2.009,1200 1.761,1201 1.716,1202 1.871,1203 1.948,1204 1.033,1205 1.927,1206 1.513,1207 1.44,1208 1.822,1209 1.722,1210 1.012,1211 1.748,1212 1.461,1213 1.413,1214 1.732,1215 1.702,1216 0.965,1217 1.725,1218 1.363,1219 1.287,1220 1.635,1221 1.573,1222 0.693,1223 1.604,1224 1.135,1225 1.077,1226 1.417,1227 1.395,1228 0.595,1229 1.396,1230 1.063,1231 0.977,1232 1.34,1233 1.35,1234 0.371,1235 1.359,1236 4.174,1238 5.451,1240 6.927,1242 8.498,1244 10.12,1246 4.274,1250 11.611,1252 4.082,1254 11.893,1262 36.364,1263 87.168,1264 206.094,1265 276.497,1266 298.149,1267 300.904,1268 300.904,1269 51.668,1270 7.244,1271 96.28,1272 96.28,1273 18,1274 12.345,1275 4.248,1276 3.322,1277 55.499,1278 138,1279 150,1280 0.19,1281 227.63,1282 391.8,1283 547.176,1284 14230,1286 21.347,1287 0.712,1288 0.591,1289 21.347,1290 17.727,1291 14.601,1292 0.456,1293 0.324,1294 10.239,1295 14.127,1296 9.928,1297 8.31,1298 14.601,1299 10.363,1300 12.371,1301 0.295,1302 0.17,1303 12.371,1304 7.152,1305 10.152,1306 0.192,1307 0.094,1308 10.152,1309 4.961,1310 8.262,1311 0.125,1312 0.051,1313 8.262,1314 3.397,1315 6.618,1316 0.083,1317 0.03,1318 6.618,1319 2.384,1320 0.306,1321 90.953,1322 0.217,1323 29.013,1324 0.501,1325 148,1326 399.386,1327 160.472,1328 388.34,1329 534.42,1330 366,1331 169,1332 391.063,1333 181.416,1334 399.645,1335 579.49,1336 375,1337 4.585}
{0 CHEMBL117172,1 1.664,2 10.862,3 1.266,4 1.603,5 112.223,6 7.318,7 0.387,8 4.116,9 4.246,10 3.648,11 3.504,12 5.285,13 3.523,14 4.648,15 4.836,16 3.995,17 3.891,18 5.73,19 3.888,20 4.835,21 5.009,22 4.18,23 4.125,24 5.889,25 4.103,26 5.063,27 5.265,28 4.231,29 4.235,30 6.169,31 4.178,32 5.213,33 5.456,34 4.092,35 4.226,36 6.219,37 4.15,38 5.123,39 5.365,40 3.975,41 4.139,42 6.202,43 4.039,44 5.038,45 5.309,46 3.853,47 4.027,48 6.031,49 3.916,50 4.913,51 5.172,52 3.83,53 3.861,54 6.038,55 3.785,56 0.128,57 0.807,58 12.127,59 4.199,60 16.099,61 6.099,62 0.583,63 1.202,64 23.446,65 7.242,66 45.06,67 10.236,68 0.529,69 1.524,70 26.855,71 8.756,72 34.806,73 13.102,74 0.741,75 1.737,76 35.058,77 11.208,78 63.527,79 16.623,80 1.048,81 1.744,82 44.131,83 10.806,84 94.813,85 17.303,86 1.114,87 1.556,88 40.479,89 11.129,90 102.221,91 16.888,92 0.778,93 1.381,94 37.72,95 10.538,96 82.48,97 16.583,98 0.903,99 1.165,100 33.868,101 8.911,102 102.527,103 13.754,104 66,105 44,106 0.277,107 0.613,108 0.761,109 0.8,110 0.808,111 0.833,112 3.408,113 0.882,114 -2.63,115 -2.65,116 -2.58,119 34.5,120 1,122 2,124 3,125 2,139 2,140 1,141 4,144 2,147 1,153 1,157 2,158 2,159 2,166 3,169 2,170 7,172 3,173 4,175 3,178 4,180 1,181 2,182 5,187 2,191 1,192 3,193 11,195 1,196 3,197 3,198 4,200 4,201 2,204 3,205 1,206 1,207 1,212 1,215 2,218 1,220 4,221 4,223 1,224 2,226 4,229 4,231 2,233 1,234 3,245 2,246 9,248 2,249 4,251 2,256 2,260 2,263 1,273 1281,274 19.566,275 19.566,276 19.566,277 19.566,278 19.566,279 17.984,280 34.689,281 11.116,282 20.427,283 14.991,284 14.991,285 14.991,286 14.991,287 14.991,288 12.304,289 54.222,290 4.854,291 16.055,292 4.117,293 2.103,294 1.214,295 0.983,296 0.932,297 0.782,298 4.085,301 1,302 1,303 657,304 3.606,307 260.348,311 137.736,314 1.532,315 34.814,318 1,319 0.83,320 1,321 1,322 1,323 1,324 1,325 0.98,326 65,327 315,328 4.495,329 3.445,330 6.838,331 4.192,332 3.22,333 4.134,334 1.2,335 11.245,336 3.135,337 4.443,338 3.387,339 6.554,340 4.042,341 3.097,342 4.12,343 0.86,344 10.384,345 2.921,346 3.891,347 3.195,348 6.106,349 3.647,350 2.71,351 3.132,352 0.86,353 8.897,354 2.537,355 3.669,356 2.609,357 5.754,358 3.393,359 2.446,360 2.935,361 0.86,362 7.69,363 2.31,364 3.355,365 2.555,366 5.19,367 2.973,368 2.061,369 2.604,370 0.4,371 6.118,372 1.901,373 3.325,374 2.449,375 5.097,376 2.972,377 2.039,378 2.563,379 0.293,380 5.916,381 1.867,382 3.249,383 2.229,384 5.01,385 2.896,386 1.97,387 2.39,389 5.795,390 1.817,391 2.849,392 2.111,393 4.48,394 2.473,395 1.514,396 1.87,398 4.204,399 1.444,400 2.413,401 1.97,402 4.176,403 2.267,404 1.315,405 1.398,407 3.392,408 1.247,409 2.195,410 1.614,411 3.684,412 1.92,413 1.076,414 1.143,415 2.173,416 0.898,417 1.915,418 1.326,419 3.124,420 1.53,421 0.513,422 0.632,423 1.036,424 0.511,425 1.576,426 0.963,427 2.859,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.418,434 0.916,435 2.823,436 1.175,437 0.324,438 0.346,439 0.413,440 0.272,441 1.313,442 0.462,443 2.682,444 1.025,445 0.04,446 0.05,448 0.069,449 0.039,450 1.112,451 0.102,452 2.552,453 0.837,454 -0.115,455 -0.133,457 -0.295,458 -0.109,459 13.233,460 0.456,461 0.746,462 0.026,463 37,464 1.276,465 17,466 0.586,467 20,468 0.69,469 26.035,470 0.898,471 33.567,472 0.61,473 30.783,474 1.061,475 7.49,476 0.258,477 6.436,478 0.222,479 0.237,481 0.408,485 0.963,486 1.597,487 0.829,488 1.308,489 0.84,490 1.059,491 1.118,492 0.842,493 0.818,494 0.769,495 0.693,496 0.744,497 0.781,498 1.355,499 0.884,500 1.184,501 0.642,502 1.063,503 0.745,504 1.243,505 1.015,506 1.33,507 0.795,508 1.249,509 1.317,510 0.973,511 1.212,512 0.974,513 1.286,514 1.046,515 1.084,516 0.894,517 1.165,518 1.041,519 1.21,520 1.114,521 0.87,522 0.961,523 0.893,524 0.99,525 1.131,526 0.956,527 1.044,528 0.825,529 0.862,530 0.856,531 1.301,532 0.842,533 6.5,534 0.206,535 3.778,536 2.875,537 2.693,538 1.222,539 0.73,540 0.557,541 0.34,542 0.334,543 9423,544 28542,545 1.973,546 47.3,547 4,548 15,550 1,551 5,554 1,555 1.723,556 1.794,557 3.383,558 2.528,559 1,560 1,564 91.543,565 1.664,566 3.678,567 4.567,568 4.799,569 4.849,570 4.999,571 2.823,572 4.582,573 4.833,574 3.532,575 1433.92,576 8.433,577 18974.2,579 1,582 317.975,583 1.556,584 4.756,585 0.21,586 0.009,587 0.086,588 0.055,589 0.053,590 0.028,591 0.02,592 0.016,593 0.01,594 0.012,595 0.499,596 0.17,597 0.88,598 1.057,599 145.782,600 -0.119,601 -0.253,602 0.04,603 -0.127,604 -0.101,605 -0.014,606 -0.049,607 0.292,608 0.14,609 0.289,610 0.063,611 0.25,612 0.046,613 -0.144,614 0.014,615 -0.059,616 0.001,617 -0.025,618 0.109,619 -0.114,620 -0.092,621 -0.261,622 0.054,623 -0.233,624 -0.252,625 0.014,626 -0.215,627 -0.03,628 -0.239,629 -0.096,630 -0.033,631 0.066,632 -0.175,633 -0.062,634 -0.045,635 -0.138,636 0.012,637 -0.075,638 0.09,640 -0.001,641 0.058,642 0.078,643 0.032,644 0.163,645 0.098,646 0.108,647 0.135,648 1.536,649 4.923,650 0.552,651 24.535,652 1.014,653 1.145,654 1.4,655 1.96,656 0.627,657 3.466,658 3.807,659 4.127,660 4.407,661 4.615,662 4.691,663 4.745,664 4.804,665 4.852,666 4.875,667 6.346,668 0.605,669 402.51,670 3.466,671 5.017,672 5.889,673 6.788,674 7.676,675 8.578,676 9.47,677 10.374,678 11.267,679 12.171,680 10.9,684 2,685 1,687 1,690 2,695 2,696 2,700 8,702 12,711 2,712 1,716 3,718 55,719 13,720 1,721 31,723 57,724 19,725 10,726 4,727 2,729 3,730 4,734 1,737 2,741 11,742 8,743 2,744 1,748 1,749 1,754 1,757 26,758 10,759 5,760 10,764 6,769 0.667,770 4,776 1,781 3,785 1,791 1,802 2,806 4,810 29,811 2,816 2,817 1,818 3,820 2,821 1,829 7.3,832 1,834 3,836 16.167,837 10.85,838 6.694,839 2.896,840 2.22,841 1.299,842 0.938,843 6.668,844 9.641,845 3.664,846 4.234,847 4.808,848 5.346,849 5.813,850 6.005,851 6.131,852 6.25,853 6.376,854 6.556,855 1,856 52,857 10.669,859 4.435,860 7.879,861 19.987,863 15.876,865 2.379,866 69,870 247.193,871 103.861,872 120.5,874 58.145,877 103.861,878 305.338,879 120.5,880 41.474,881 7.336,882 84.747,883 99.493,884 54.672,885 6.555,886 235.422,888 247.193,889 224.362,890 58.145,893 235.422,894 69.916,897 18.06,898 154.72,899 51.582,901 247.193,902 178.645,903 103.861,906 247.193,907 32.439,908 74.547,909 18.011,910 157.51,911 247.193,912 178.645,913 103.861,915 0.577,916 0.37,917 0.212,918 0.112,919 20,920 11,921 0.105,922 6,923 1,924 1.125,925 3.786,926 257.827,927 0.125,928 16,929 132.881,933 21.424,934 9.026,935 4.195,937 178.645,938 3.478,939 8.295,943 3.982,945 83.805,946 529.699,947 38,951 11.923,952 0.783,956 55.756,957 62.979,958 0.288,959 0.636,960 0.79,961 0.83,962 0.839,963 0.865,964 4.927,965 1.514,966 5.9,967 5.795,968 4.489,969 4.92,970 2.156,971 6.767,972 4.367,973 6.132,974 1.315,975 7.502,976 4.204,977 4.205,978 4.844,979 0.325,980 7.789,981 4.048,982 7.452,983 1.076,984 9.2,985 3.392,986 6.142,987 7.096,988 2.063,989 10.898,990 5.929,991 8.807,992 0.513,993 10.954,994 2.173,995 6.648,996 7.802,997 0.653,998 12.702,999 6.402,1000 10.193,1001 0.396,1002 12.742,1003 1.036,1004 8.079,1005 9.578,1006 2.096,1007 15.349,1008 7.791,1009 11.6,1010 0.324,1011 14.553,1012 0.603,1013 8.94,1014 10.642,1015 1.001,1016 17.484,1017 8.621,1018 13.024,1019 0.04,1020 16.381,1021 0.413,1022 10.185,1023 12.228,1024 2.212,1025 19.969,1026 9.831,1027 3.22,1028 -0.115,1029 18.223,1030 0.069,1031 11.206,1032 13.468,1033 1.37,1034 22.248,1035 10.82,1036 3.097,1037 11.245,1038 20.075,1039 -0.295,1040 12.384,1041 14.969,1042 2.393,1043 24.674,1044 11.966,1045 2.71,1046 10.384,1047 21.936,1048 4.134,1049 13.475,1050 16.296,1051 1.754,1052 27.018,1053 13.027,1054 2.446,1055 8.897,1056 23.804,1057 4.12,1058 14.63,1059 17.756,1060 2.625,1061 29.424,1062 14.152,1063 2.061,1064 7.69,1065 25.678,1066 3.132,1067 15.754,1068 19.127,1069 2.143,1070 31.798,1071 15.245,1072 2.039,1073 6.118,1074 27.557,1075 2.935,1076 16.903,1077 20.567,1078 2.892,1079 34.198,1080 16.365,1081 1.97,1082 5.916,1083 29.44,1084 2.604,1085 18.041,1086 21.96,1087 2.535,1088 36.587,1089 17.475,1090 9409,1091 16477,1092 19.709,1093 34.466,1094 45.887,1095 48.486,1096 49.616,1097 45.447,1098 45.443,1099 55.539,1100 8.946,1101 135.872,1102 42.483,1103 5.441,1104 5.445,1105 6.38,1106 5.268,1107 5.22,1108 7.134,1109 2.293,1110 18.523,1111 5.135,1112 18.528,1113 1.48,1114 1.564,1115 1.601,1116 1.466,1117 1.466,1118 1.792,1119 0.289,1120 4.383,1121 1.37,1122 4.021,1123 4.066,1124 3.972,1125 3.89,1126 7.453,1127 3.904,1128 3.921,1129 3.941,1130 3.888,1131 3.801,1132 5.287,1133 3.817,1134 3.614,1135 3.675,1136 3.532,1137 3.412,1138 4.979,1139 3.434,1140 3.4,1141 3.455,1142 3.309,1143 3.133,1144 4.972,1145 3.167,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.231,1153 3.332,1154 3.06,1155 2.994,1156 4.538,1157 2.992,1158 3.217,1159 3.293,1160 3.012,1161 2.909,1162 4.464,1163 2.916,1164 3.127,1165 3.205,1166 2.921,1167 2.861,1168 4.252,1169 2.86,1170 0.145,1171 0.111,1172 0.221,1173 0.135,1174 0.104,1175 4.495,1176 0.133,1177 3.445,1178 0.039,1179 6.838,1180 0.363,1181 4.192,1182 0.101,1183 3.22,1184 4.134,1185 1.2,1186 11.245,1187 3.135,1188 1.94,1189 1.903,1190 2.067,1191 2.099,1192 1.414,1193 2.089,1194 1.862,1195 1.843,1196 1.938,1197 2.005,1198 1.081,1199 1.981,1200 1.538,1201 1.479,1202 1.678,1203 1.777,1204 0.836,1205 1.756,1206 1.303,1207 1.241,1208 1.598,1209 1.599,1210 0.651,1211 1.588,1212 1.227,1213 1.163,1214 1.59,1215 1.558,1216 0.584,1217 1.565,1218 1.209,1219 1.119,1220 1.571,1221 1.508,1222 0.576,1223 1.529,1224 1.167,1225 1.081,1226 1.539,1227 1.488,1228 0.565,1229 1.508,1230 1.09,1231 1.006,1232 1.393,1233 1.377,1234 0.499,1235 1.399,1236 4.143,1238 5.476,1240 7.026,1242 8.678,1244 10.383,1246 6.637,1250 11.764,1252 1.054,1253 3.246,1254 16.138,1256 0.095,1257 1.604,1262 33.256,1263 91.543,1264 202.287,1265 251.181,1266 263.936,1267 266.691,1268 274.955,1269 61.762,1270 7.421,1271 137.85,1272 137.85,1273 18,1274 12.692,1275 3.807,1276 3,1277 52.333,1278 111,1279 108,1280 0.234,1281 207.104,1282 361.06,1283 497.093,1284 15638,1286 21.129,1287 0.729,1288 0.584,1289 21.129,1290 16.93,1291 13.926,1292 0.449,1293 0.294,1294 8.879,1295 13.026,1296 8.568,1297 7.182,1298 13.926,1299 9.117,1300 12.132,1301 0.276,1302 0.155,1303 12.132,1304 6.8,1305 10.678,1306 0.175,1307 0.086,1308 10.678,1309 5.226,1310 9.302,1311 0.115,1312 0.045,1313 9.302,1314 3.646,1315 7.132,1316 0.071,1317 0.025,1318 7.132,1319 2.474,1320 0.362,1321 90.031,1322 0.225,1323 27.113,1324 0.656,1325 150,1326 500.835,1327 170.76,1328 467.309,1329 631.71,1330 438,1331 180,1332 457.547,1333 201.343,1334 464.075,1335 675.27,1336 429,1337 5.921}
{0 CHEMBL117602,1 1.752,2 15.5,3 1.326,4 1.758,5 119.522,6 8.5,7 0.472,8 4.128,9 4.229,10 3.758,11 3.597,12 5.462,13 3.633,14 4.595,15 4.72,16 4.133,17 3.965,18 6.073,19 3.975,20 4.869,21 5.032,22 4.196,23 4.098,24 6.194,25 4.098,26 4.963,27 5.138,28 4.14,29 4.046,30 6.318,31 4.05,32 4.892,33 5.071,34 4.088,35 3.97,36 6.366,37 3.971,38 4.815,39 5,40 4.029,41 3.913,42 6.378,43 3.899,44 4.727,45 4.907,46 3.937,47 3.842,48 6.275,49 3.82,50 4.575,51 4.758,52 3.803,53 3.75,54 5.958,55 3.722,56 0.293,57 0.81,58 9.003,59 4.459,60 47.721,61 4.843,62 0.714,63 1.222,64 16.211,65 7.645,66 106.305,67 8.999,68 0.86,69 1.477,70 24.461,71 9.179,72 127,73 11.133,74 1.185,75 1.465,76 30.074,77 9.669,78 184.361,79 11.276,80 1.226,81 1.339,82 28.474,83 8.984,84 201.443,85 10.875,86 1.201,87 1.223,88 26.593,89 8.87,90 199.694,91 11.182,92 1.135,93 1.098,94 24.948,95 8.745,96 184.805,97 10.913,98 0.721,99 1.01,100 20.107,101 7.491,102 110.583,103 9.457,104 74,105 50,106 0.286,107 0.676,108 0.803,109 0.874,110 0.891,111 0.891,112 3.56,113 0.832,114 -3.5,115 -3.48,116 -3.32,119 40,121 2,125 1,127 1,139 7,140 4,143 1,144 1,147 1,153 4,157 2,158 2,159 2,161 2,165 2,166 11,167 1,169 2,170 8,172 3,173 6,175 4,176 1,178 10,179 2,180 1,182 13,185 1,186 1,187 6,189 5,190 1,191 1,193 14,194 1,195 1,196 1,197 1,198 7,199 1,200 2,201 2,202 1,203 1,204 4,205 1,206 1,207 8,208 2,210 2,211 1,212 5,213 2,215 7,216 2,218 3,220 3,221 4,222 1,223 1,224 3,225 1,226 3,229 12,230 3,231 1,233 3,234 3,237 3,239 3,241 12,242 3,245 2,246 5,248 2,249 2,251 4,254 7,255 2,256 1,260 9,261 2,265 5,268 2,269 1,270 2,273 2216,274 22.085,275 22.085,276 22.085,277 22.085,278 22.085,279 19.451,280 22.561,281 12.89,282 22.4,283 17.711,284 17.711,285 17.711,286 17.711,287 17.711,288 13.587,289 23.394,290 6.113,291 18.184,292 4.029,293 1.647,294 0.866,295 0.436,296 0.327,297 0.327,298 4.237,301 1,303 1096,304 4.848,307 352.547,311 189.234,314 2.529,315 63.16,318 0.5,319 0.33,320 0.5,321 0.4,323 0.5,324 0.5,325 0.39,326 77.5,327 527,328 4.541,329 3.777,330 6.502,331 4.048,332 3.079,333 4.491,334 2.375,335 10.175,336 2.989,337 4.259,338 3.666,339 6.138,340 3.914,341 2.918,342 3.845,343 2.341,344 8.955,345 2.901,346 4.019,347 3.592,348 6.002,349 3.748,350 2.762,351 3.348,352 1.727,353 8.491,354 2.709,355 3.826,356 3.517,357 5.808,358 3.548,359 2.549,360 3.226,361 1.061,362 7.802,363 2.534,364 3.759,365 3.129,366 5.311,367 3.361,368 2.391,369 3.014,370 0.636,371 6.876,372 2.315,373 3.524,374 2.671,375 5.062,376 3.178,377 2.172,378 2.811,379 0.14,380 5.803,381 2.155,382 3.429,383 2.295,384 4.971,385 2.976,386 2.045,387 2.7,389 5.757,390 1.899,391 3.377,392 2.192,393 4.645,394 2.913,395 1.965,396 2.687,398 5.121,399 1.857,400 3.114,401 2.125,402 4.36,403 2.642,404 1.648,405 2.24,407 4.216,408 1.617,409 2.693,410 2.051,411 4.049,412 2.285,413 1.306,414 1.676,415 3.368,416 1.256,417 2.5,418 1.674,419 3.71,420 2.076,421 1.072,422 1.5,423 2.565,424 1.059,425 2.46,426 1.445,427 3.607,428 2,429 1.006,430 1.433,431 2.563,432 1,433 2.45,434 1.104,435 3.414,436 1.981,437 1,438 1.334,439 2.275,440 0.979,441 1.856,442 1.057,443 3.122,444 1.506,445 0.55,446 0.674,448 1.296,449 0.517,450 1.57,451 1,452 2.826,453 1.338,454 0.334,455 0.38,457 0.754,458 0.329,459 15.333,460 0.451,461 1.038,462 0.031,463 45,464 1.324,465 23,466 0.676,467 22,468 0.647,469 26.065,470 0.767,471 37.467,472 0.681,473 40.952,474 1.204,475 9.359,476 0.275,477 6.775,478 0.199,479 0.183,481 0.391,485 0.88,486 1.175,487 0.748,488 0.97,489 0.788,490 0.828,491 0.505,492 1.059,493 0.72,494 1.08,495 0.443,496 1,497 0.949,498 1.186,499 0.988,500 1.123,501 0.912,502 1.075,503 1.332,504 1.042,505 1.18,506 1.042,507 1.248,508 1.061,509 1.15,510 0.973,511 1.097,512 0.993,513 1.134,514 1.018,515 0.825,516 0.834,517 0.956,518 0.986,519 0.866,520 1.004,521 0.828,522 0.872,523 0.893,524 0.975,525 0.854,526 0.979,527 0.805,528 0.979,529 0.912,530 1.084,531 0.867,532 1.059,533 8.5,534 0.161,535 4.444,536 2.188,537 2.2,538 1.292,539 0.69,540 0.479,541 0.447,542 0.339,543 18116,544 68314,545 1.96,546 38.2,548 10,551 7,552 2,553 2,555 1.754,556 1.789,557 3.87,558 4.052,560 1,564 96.367,565 1.752,566 4.135,567 4.915,568 5.345,569 5.454,570 5.454,571 3.329,572 4.572,573 5.059,574 4.094,575 2296.85,576 8.837,577 37883.3,582 317.975,583 1.549,584 4.989,585 0.236,586 0.005,587 0.089,588 0.042,589 0.047,590 0.029,591 0.017,592 0.013,593 0.013,594 0.011,595 0.502,596 0.17,597 0.75,598 1.629,599 187.359,600 -0.173,601 0.047,602 -0.036,603 0.106,604 -0.151,605 0.097,606 0.245,607 0.079,608 0.073,609 -0.013,610 0.202,611 -0.034,612 -0.115,613 -0.128,614 -0.098,615 -0.107,616 -0.107,617 -0.097,618 -0.275,619 -0.073,620 -0.192,621 -0.068,622 -0.224,623 -0.097,624 -0.095,625 -0.012,626 -0.097,627 -0.019,628 -0.069,629 -0.045,630 0.168,631 0.112,632 0.047,633 0.013,634 0.15,635 0.004,636 0.192,637 0.023,638 0.122,639 0.064,640 0.172,641 0.064,642 0.055,643 -0.016,644 0.048,645 -0.043,646 0.003,647 -0.017,648 3.014,649 5.368,650 0.471,651 43.55,652 1.034,653 1.132,654 2.274,655 5.171,656 0.66,657 3.611,658 3.932,659 4.127,660 4.317,661 4.543,662 4.585,663 4.615,664 4.625,665 4.762,666 4.762,667 9.031,668 0.66,669 467.48,670 3.611,671 5.153,672 5.979,673 6.843,674 7.688,675 8.554,676 9.407,677 10.273,678 11.132,679 11.999,680 9.1,684 2,687 1,690 2,694 2,695 7,696 2,700 5,702 17,707 1,710 1,711 2,718 55,719 21,720 2,721 36,723 57,724 22,725 14,726 5,727 7,728 2,729 3,730 4,739 3,741 18,742 4,744 4,748 4,751 4,754 1,757 21,758 12,759 7,760 12,764 5,769 0.667,770 7,776 1,781 3,785 1,792 2,800 2,802 2,810 34,811 2,815 2,816 3,817 1,818 1,820 1,829 12.7,831 2,832 4,834 1,836 19,837 9.467,838 7.472,839 2.904,840 3.451,841 1.449,842 0.927,843 7.995,844 11.142,845 3.902,846 4.489,847 5.002,848 5.536,849 6.108,850 6.375,851 6.696,852 6.896,853 7.271,854 7.269,855 1,856 52,857 12.633,859 5.547,860 8.387,861 22.436,863 17.846,865 2.887,866 98.167,870 164.795,871 108.212,872 117.376,874 196.946,877 108.212,878 361.742,879 117.376,881 27.672,882 132.128,883 233.233,884 25.274,885 4.227,886 164.795,888 164.795,889 225.588,890 196.946,893 141.253,894 220.488,897 31.715,898 160.301,899 33.571,901 164.795,902 314.322,903 108.212,906 164.795,907 41.878,908 66.334,909 18.011,910 296.312,911 164.795,912 314.322,913 108.212,915 0.587,916 0.326,917 0.161,918 0.092,919 21,920 12,921 0.175,922 10,923 1,924 1.125,925 4.466,926 293.636,927 0.125,928 16,929 168.974,933 24.893,934 10.919,935 6.64,936 1.128,937 314.322,938 10.465,939 7.975,943 1.187,945 169.172,946 587.33,947 48.5,951 46.53,954 -3.874,956 56.869,957 62.279,958 0.303,959 0.715,960 0.85,961 0.925,962 0.943,963 0.943,964 5.137,965 1.965,966 5.979,967 5.757,968 4.615,969 5.176,970 3.321,971 6.758,972 4.566,973 6.357,974 1.648,975 7.531,976 5.121,977 4.29,978 5.094,979 2.882,980 7.612,981 4.231,982 7.667,983 1.306,984 9.177,985 4.216,986 6.192,987 7.365,988 4.582,989 10.646,990 6.101,991 9.006,992 1.072,993 10.876,994 3.368,995 6.608,996 8.046,997 4.828,998 12.275,999 6.511,1000 10.372,1001 1.006,1002 12.608,1003 2.565,1004 8.028,1005 9.862,1006 6.077,1007 14.839,1008 7.902,1009 11.758,1010 1,1011 14.362,1012 2.563,1013 8.783,1014 10.919,1015 6.631,1016 16.811,1017 8.649,1018 13.159,1019 0.55,1020 16.133,1021 2.275,1022 10.008,1023 12.549,1024 7.68,1025 19.201,1026 9.848,1027 3.079,1028 0.334,1029 17.916,1030 1.296,1031 10.932,1032 13.812,1033 8.385,1034 21.336,1035 10.757,1036 2.918,1037 10.175,1038 19.71,1039 0.754,1040 12.074,1041 15.358,1042 9.337,1043 23.659,1044 11.876,1045 2.762,1046 8.955,1047 21.512,1048 4.491,1049 13.082,1050 16.732,1051 10.118,1052 25.874,1053 12.865,1054 2.549,1055 8.491,1056 23.32,1057 3.845,1058 14.191,1059 18.244,1060 11.023,1061 28.175,1062 13.951,1063 2.391,1064 7.802,1065 25.135,1066 3.348,1067 15.242,1068 19.677,1069 11.843,1070 30.431,1071 14.981,1072 2.172,1073 6.876,1074 26.954,1075 3.226,1076 16.34,1077 21.175,1078 12.724,1079 32.728,1080 16.055,1081 2.045,1082 5.803,1083 28.778,1084 3.014,1085 17.414,1086 22.638,1087 13.563,1088 35.006,1089 17.105,1090 17855,1091 34785,1092 22.887,1093 36.301,1094 54.335,1095 56.863,1096 55.72,1097 53.693,1098 53.594,1099 70.716,1100 16.561,1101 152.036,1102 52.232,1103 5.453,1104 5.777,1105 5.916,1106 5.12,1107 5.079,1108 7.491,1109 4.103,1110 17.069,1111 4.989,1112 22.961,1113 1.509,1114 1.58,1115 1.548,1116 1.491,1117 1.489,1118 1.964,1119 0.46,1120 4.223,1121 1.451,1122 4.073,1123 4.105,1124 4.041,1125 3.983,1126 7.478,1127 3.992,1128 3.952,1129 3.973,1130 3.907,1131 3.876,1132 7.471,1133 3.878,1134 3.762,1135 3.795,1136 3.679,1137 3.589,1138 7.433,1139 3.601,1140 3.557,1141 3.603,1142 3.498,1143 3.352,1144 7.428,1145 3.382,1146 3.466,1147 3.48,1148 3.407,1149 3.213,1150 6.352,1151 3.256,1152 3.336,1153 3.332,1154 3.302,1155 3.08,1156 6.35,1157 3.131,1158 3.143,1159 3.237,1160 3.058,1161 2.937,1162 5.307,1163 2.949,1164 3.117,1165 3.159,1166 3.017,1167 2.82,1168 4.982,1169 2.859,1170 0.126,1171 0.105,1172 0.181,1173 0.112,1174 0.086,1175 4.541,1176 0.125,1177 3.777,1178 0.066,1179 6.502,1180 0.283,1181 4.048,1182 0.083,1183 3.079,1184 4.491,1185 2.375,1186 10.175,1187 2.989,1188 2.017,1189 1.992,1190 2.083,1191 2.127,1192 1.222,1193 2.114,1194 1.92,1195 1.901,1196 2.013,1197 2.021,1198 1.219,1199 2.016,1200 1.703,1201 1.663,1202 1.897,1203 1.9,1204 1.095,1205 1.895,1206 1.465,1207 1.42,1208 1.603,1209 1.706,1210 0.7,1211 1.68,1212 1.326,1213 1.305,1214 1.478,1215 1.621,1216 0.586,1217 1.572,1218 1.181,1219 1.177,1220 1.359,1221 1.47,1222 0.338,1223 1.418,1224 1.068,1225 1.014,1226 1.29,1227 1.386,1228 0.266,1229 1.371,1230 0.995,1231 0.922,1232 1.203,1233 1.317,1234 0.218,1235 1.276,1236 4.29,1238 5.609,1240 7.106,1242 8.686,1244 10.314,1250 11.43,1251 17.847,1252 -0.724,1253 2.26,1254 5.298,1256 -1.355,1262 36.325,1263 96.367,1264 227.411,1265 270.323,1266 293.975,1267 299.975,1268 299.975,1269 110.211,1270 7.69,1271 207.82,1272 207.82,1273 18,1274 12.546,1275 4.459,1276 3.755,1277 67.896,1278 187,1279 162,1280 0.174,1281 226.438,1282 404.23,1283 544.269,1284 25880,1286 24.828,1287 0.73,1288 0.521,1289 24.828,1290 17.725,1291 16.134,1292 0.448,1293 0.277,1294 9.794,1295 15.322,1296 9.656,1297 7.961,1298 16.134,1299 9.98,1300 15.075,1301 0.301,1302 0.145,1303 15.075,1304 7.269,1305 11.555,1306 0.189,1307 0.079,1308 11.555,1309 4.81,1310 8.991,1311 0.122,1312 0.041,1313 8.991,1314 3.064,1315 7.234,1316 0.078,1317 0.022,1318 7.234,1319 2.015,1320 0.286,1321 102.978,1322 0.209,1323 32.291,1324 0.447,1325 172,1326 661.225,1327 197.375,1328 625.488,1329 811.79,1330 574,1331 197,1332 564.356,1333 218.559,1334 565.468,1335 819.11,1336 529,1337 7.714}
{0 CHEMBL117750,1 1.622,2 10.815,3 2.652,4 7.031,5 106.892,6 7.389,7 0.586,8 4.019,9 4.144,10 3.569,11 3.451,12 5.196,13 3.463,14 4.517,15 4.701,16 3.903,17 3.799,18 5.619,19 3.803,20 4.623,21 4.767,22 4.066,23 3.99,24 5.762,25 3.98,26 4.842,27 5.024,28 4.054,29 4.085,30 5.935,31 4.031,32 4.98,33 5.2,34 3.898,35 4.102,36 5.96,37 4.002,38 4.948,39 5.202,40 3.73,41 4.02,42 5.836,43 3.887,44 4.867,45 5.155,46 3.609,47 3.883,48 5.733,49 3.751,50 4.674,51 4.947,52 3.568,53 3.726,54 5.563,55 3.624,56 0.082,57 0.739,58 10.69,59 4.038,60 12.604,61 5.484,62 0.439,63 1.082,64 20.3,65 6.51,66 32.751,67 8.754,68 0.387,69 1.296,70 20.622,71 7.38,72 22.707,73 10.219,74 0.477,75 1.465,76 27.218,77 9.66,78 39.492,79 13.429,80 0.701,81 1.521,82 33.632,83 10.87,84 55.184,85 15.187,86 0.573,87 1.419,88 33.403,89 10.655,90 48.616,91 15.691,92 0.543,93 1.269,94 31.887,95 9.319,96 51.907,97 14.308,98 0.393,99 1.05,100 26.003,101 8.014,102 34.314,103 12.002,104 46,105 41,106 0.274,107 0.606,108 0.736,109 0.805,110 0.821,111 0.869,112 3.34,113 0.858,114 -3.2,115 -3.19,116 -3.06,119 38,124 4,125 1,139 5,140 2,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 8,172 3,173 3,175 1,178 3,180 1,181 2,182 10,187 1,189 2,191 1,192 2,193 5,195 1,196 1,197 1,198 3,200 2,201 2,204 3,205 1,206 3,207 1,209 1,210 1,212 3,215 4,218 3,220 1,221 2,229 4,234 6,236 1,237 1,239 1,241 2,243 1,246 6,251 1,256 1,259 2,260 4,262 1,263 1,265 2,270 2,273 1043,274 18.196,275 18.196,276 18.196,277 18.196,278 18.196,279 16.132,280 25.218,281 10.38,282 18.978,283 14.074,284 14.074,285 14.074,286 14.074,287 14.074,288 10.767,289 32.919,290 4.592,291 15.059,292 4.022,293 2.056,294 1.288,295 0.881,296 0.786,297 0.5,298 4.018,300 1,301 1,302 1,303 613,304 3.391,307 238.327,311 124.513,314 1.553,315 23.638,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 59.5,327 292,328 4.551,329 3.45,330 6.693,331 4.097,332 3.142,333 4.495,334 0.916,335 10.815,336 3.011,337 4.476,338 3.179,339 6.519,340 4.047,341 3.085,342 4.165,343 0.86,344 10.233,345 2.956,346 3.937,347 2.959,348 6.003,349 3.623,350 2.69,351 3.339,352 0.86,353 8.509,354 2.509,355 3.623,356 2.67,357 5.658,358 3.245,359 2.301,360 2.965,361 0.86,362 7.373,363 2.166,364 3.448,365 2.272,366 5.065,367 3.011,368 2.091,369 2.811,370 0.172,371 5.911,372 1.918,373 3.416,374 2.18,375 5.012,376 2.935,377 1.991,378 2.763,380 5.793,381 1.879,382 3.122,383 2.063,384 4.769,385 2.729,386 1.792,387 2.328,389 4.976,390 1.667,391 2.563,392 1.874,393 4.128,394 2.241,395 1.3,396 1.578,398 3.444,399 1.22,400 2.43,401 1.414,402 3.709,403 1.976,404 1.046,405 1.404,407 2.565,408 0.973,409 2.106,410 1.083,411 3.614,412 1.874,413 1,414 1.089,415 2.046,416 0.861,417 1.803,418 1.055,419 3.068,420 1.517,421 0.614,422 0.704,423 1.141,424 0.548,425 1.385,426 0.913,427 2.758,428 1.13,429 0.289,430 0.311,431 0.363,432 0.241,433 1.364,434 0.381,435 2.607,436 0.951,437 0.021,438 0.026,439 0.048,440 0.019,441 1.012,442 0.079,443 2.494,444 0.745,445 -0.175,446 -0.201,448 -0.335,449 -0.159,450 0.959,451 0.038,452 2.484,453 0.477,454 -0.448,455 -0.578,457 -1.012,458 -0.412,459 12.5,460 0.463,461 0.695,462 0.026,463 37.25,464 1.38,465 19,466 0.704,467 18.25,468 0.676,469 20.689,470 0.766,471 30.1,472 0.602,473 29.649,474 1.098,475 7.816,476 0.289,477 5.162,478 0.191,479 0.224,481 0.392,485 1.015,486 1.456,487 0.821,488 1.212,489 1.174,490 1.001,491 1.335,492 0.743,493 0.787,494 0.641,495 0.832,496 0.622,497 0.883,498 1.327,499 0.915,500 1.166,501 0.787,502 1.052,503 0.918,504 1.27,505 1.051,506 1.298,507 0.791,508 1.223,509 1.254,510 0.985,511 1.245,512 1.117,513 1.189,514 1.187,515 0.986,516 1.026,517 1.103,518 1.094,519 0.907,520 1.128,521 0.892,522 0.749,523 0.951,524 0.844,525 0.932,526 0.889,527 0.912,528 0.89,529 0.795,530 0.864,531 0.691,532 0.821,533 6,534 0.206,535 3.778,536 2.313,537 2.302,538 1.132,539 0.486,540 0.448,541 0.283,542 0.238,543 8137,544 23577,545 1.992,546 46,548 19,551 4,555 1.701,556 1.82,557 3.384,558 1.734,559 1,560 1,564 81.076,565 1.622,566 3.588,567 4.356,568 4.763,569 4.858,570 5.143,571 2.852,572 4.607,573 4.729,574 3.525,575 1237.38,576 8.211,577 15699.5,579 1,581 1,582 282.193,583 1.541,584 4.659,585 0.207,586 0.01,587 0.092,588 0.049,589 0.052,590 0.031,591 0.016,592 0.017,593 0.01,594 0.01,595 0.495,596 0.17,597 1,598 1.011,599 133.261,600 -0.105,601 -0.2,602 0.045,603 -0.109,604 -0.214,605 -0.01,606 -0.11,607 0.345,608 0.187,609 0.367,610 0.095,611 0.333,612 0.084,613 -0.127,614 -0.022,615 -0.09,616 0.038,617 -0.069,618 0.052,619 -0.188,620 -0.126,621 -0.245,622 0.079,623 -0.228,624 -0.156,625 -0.006,626 -0.268,627 -0.115,628 -0.22,629 -0.209,630 -0.086,631 -0.106,632 -0.126,633 -0.094,634 -0.097,635 -0.119,636 -0.059,637 0.145,638 0.05,639 0.106,640 -0.058,641 0.108,642 -0.018,643 -0.019,644 0.205,645 0.123,646 0.119,647 0.196,648 1.504,649 2.064,650 0.593,651 22.45,652 1.009,653 1.137,654 1.966,655 3.866,656 0.645,657 3.401,658 3.738,659 4.043,660 4.304,661 4.511,662 4.543,663 4.585,664 4.654,665 4.7,666 4.736,667 6.28,668 0.62,669 369.47,670 3.401,671 4.949,672 5.814,673 6.706,674 7.586,675 8.479,676 9.364,677 10.257,678 11.143,679 12.036,680 10,684 2,686 1,690 2,694 2,695 5,696 2,700 7,702 17,711 2,714 1,716 3,718 50,719 17,720 2,721 29,723 52,724 19,725 14,726 7,727 5,729 3,730 4,741 14,742 5,753 1,754 1,757 23,758 8,759 4,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,802 2,806 4,810 27,811 2,816 1,818 3,821 1,829 6,834 3,836 14.833,837 10.183,838 6.167,839 2.501,840 3.368,841 1.461,842 0.965,843 5.771,844 10.668,845 3.651,846 4.304,847 4.943,848 5.542,849 6.113,850 6.379,851 6.683,852 7.009,853 7.37,854 7.491,855 1,856 47,857 9.877,859 4.029,860 7.759,861 18.617,863 14.483,865 2.259,866 61,869 1,870 223.651,871 121.149,872 102.49,874 33,877 121.149,878 256.651,879 102.49,880 41.046,881 2.106,882 113.176,883 33.571,884 62.514,885 4.227,886 223.651,888 223.651,889 223.639,890 33,893 223.651,894 33,897 6.149,898 183.919,899 33.571,901 223.651,902 135.489,903 121.149,906 223.651,907 32.722,908 91.551,910 132.365,911 223.651,912 135.489,913 121.149,915 0.579,916 0.365,917 0.206,918 0.108,919 19,920 10,921 0.115,922 6,923 1,924 1.125,925 3.702,926 230.357,927 0.125,928 16,929 126.382,933 19.324,934 8.064,935 3.817,936 1.466,937 135.489,938 9.593,939 8.239,943 4.262,945 65.794,946 480.29,947 37.5,956 50.443,957 56.857,958 0.287,959 0.636,960 0.772,961 0.844,962 0.861,963 0.911,964 4.892,965 1.3,966 5.82,967 4.976,968 4.419,969 4.99,970 1.938,971 6.671,972 4.299,973 6.126,974 1.046,975 7.412,976 3.444,977 4.111,978 4.956,979 0.325,980 7.662,981 3.948,982 7.459,983 1,984 9.1,985 2.565,986 6.057,987 7.287,988 1.656,989 10.756,990 5.845,991 8.83,992 0.614,993 10.844,994 2.046,995 6.538,996 8.042,997 0.393,998 12.53,999 6.277,1000 10.23,1001 0.289,1002 12.621,1003 1.141,1004 7.976,1005 9.881,1006 1.418,1007 15.155,1008 7.682,1009 11.652,1010 0.021,1011 14.422,1012 0.363,1013 8.813,1014 11.007,1015 0.384,1016 17.257,1017 8.469,1018 13.089,1019 -0.175,1020 16.24,1021 0.048,1022 10.057,1023 12.645,1024 1.207,1025 19.716,1026 9.682,1027 3.142,1028 -0.448,1029 18.07,1030 -0.335,1031 11.056,1032 13.955,1033 0.351,1034 21.961,1035 10.633,1036 3.085,1037 10.815,1038 19.909,1039 -1.012,1040 12.226,1041 15.506,1042 1.019,1043 24.358,1044 11.77,1045 2.69,1046 10.233,1047 21.757,1048 4.495,1049 13.298,1050 16.906,1051 0.312,1052 26.666,1053 12.795,1054 2.301,1055 8.509,1056 23.611,1057 4.165,1058 14.44,1059 18.419,1060 0.852,1061 29.04,1062 13.903,1063 2.091,1064 7.373,1065 25.471,1066 3.339,1067 15.545,1068 19.863,1069 0.273,1070 31.377,1071 14.963,1072 1.991,1073 5.911,1074 27.334,1075 2.965,1076 16.679,1077 21.36,1078 0.706,1079 33.743,1080 16.059,1081 1.792,1082 5.793,1083 29.202,1084 2.811,1085 17.798,1086 22.827,1087 0.236,1088 36.095,1089 17.136,1090 8072,1091 13854,1092 18.611,1093 32.245,1094 42.829,1095 43.955,1096 46.266,1097 42.636,1098 42.724,1099 55.953,1100 7.338,1101 126.433,1102 39.937,1103 5.391,1104 5.45,1105 6.243,1106 5.169,1107 5.142,1108 7.495,1109 1.776,1110 18.041,1111 5.011,1112 16.416,1113 1.477,1114 1.516,1115 1.595,1116 1.47,1117 1.473,1118 1.929,1119 0.253,1120 4.36,1121 1.377,1122 4.078,1123 4.113,1124 4.047,1125 3.98,1126 5.308,1127 3.992,1128 3.938,1129 3.95,1130 3.902,1131 3.843,1132 4.983,1133 3.853,1134 3.571,1135 3.641,1136 3.501,1137 3.352,1138 4.97,1139 3.382,1140 3.339,1141 3.401,1142 3.221,1143 3.119,1144 4.702,1145 3.135,1146 3.282,1147 3.344,1148 3.116,1149 2.995,1150 4.577,1151 3.011,1152 3.223,1153 3.3,1154 3.034,1155 2.957,1156 4.465,1157 2.961,1158 3.173,1159 3.258,1160 3.009,1161 2.893,1162 4.294,1163 2.904,1164 3.129,1165 3.236,1166 2.945,1167 2.881,1168 4.16,1169 2.885,1170 0.157,1171 0.119,1172 0.231,1173 0.141,1174 0.108,1175 4.551,1176 0.155,1177 3.45,1178 0.032,1179 6.693,1180 0.373,1181 4.097,1182 0.104,1183 3.142,1184 4.495,1185 0.916,1186 10.815,1187 3.011,1188 2.015,1189 1.987,1190 2.081,1191 2.133,1192 1.229,1193 2.118,1194 1.887,1195 1.876,1196 1.97,1197 2.009,1198 1.127,1199 1.995,1200 1.488,1201 1.422,1202 1.693,1203 1.746,1204 0.786,1205 1.73,1206 1.276,1207 1.214,1208 1.588,1209 1.56,1210 0.587,1211 1.565,1212 1.217,1213 1.149,1214 1.572,1215 1.527,1216 0.577,1217 1.539,1218 1.181,1219 1.096,1220 1.546,1221 1.5,1222 0.565,1223 1.517,1224 1.149,1225 1.06,1226 1.472,1227 1.436,1228 0.461,1229 1.47,1230 1.046,1231 0.964,1232 1.3,1233 1.386,1234 0.388,1235 1.371,1236 4.078,1238 5.407,1240 6.95,1242 8.592,1244 10.285,1246 6.772,1250 11.653,1252 0.588,1254 16.359,1257 2.068,1262 30.993,1263 81.076,1264 179.406,1265 217.789,1266 238.154,1267 242.909,1268 257.173,1269 42.43,1270 7.3,1271 108.75,1272 108.75,1273 18,1274 12.564,1275 4.17,1276 3.248,1277 47.001,1278 103,1279 97,1280 0.227,1281 193.386,1282 327.73,1283 463.621,1284 13867,1286 19.552,1287 0.724,1288 0.586,1289 19.552,1290 15.815,1291 12.977,1292 0.447,1293 0.286,1294 8.091,1295 12.22,1296 7.758,1297 6.544,1298 12.977,1299 8.298,1300 11.414,1301 0.278,1302 0.147,1303 11.414,1304 6.018,1305 9.914,1306 0.177,1307 0.078,1308 9.914,1309 4.36,1310 8.528,1311 0.117,1312 0.042,1313 8.528,1314 3.031,1315 6.647,1316 0.074,1317 0.022,1318 6.647,1319 2.012,1320 0.355,1321 83.262,1322 0.232,1323 25.703,1324 0.629,1325 140,1326 446.766,1327 157.1,1328 423.239,1329 581.79,1330 398,1331 167,1332 430.425,1333 185.182,1334 440.717,1335 640.98,1336 407,1337 7.721}
{0 CHEMBL1181,1 1.702,2 8.05,3 1.293,4 1.671,5 76.74,6 7.676,7 0.571,8 3.703,9 3.824,10 3.262,11 3.106,12 4.97,13 3.136,14 4.152,15 4.319,16 3.582,17 3.436,18 5.366,19 3.45,20 4.268,21 4.403,22 3.692,23 3.578,24 5.57,25 3.578,26 4.447,27 4.642,28 3.578,29 3.607,30 5.639,31 3.554,32 4.487,33 4.712,34 3.412,35 3.541,36 5.556,37 3.468,38 4.351,39 4.578,40 3.291,41 3.4,42 5.402,43 3.33,44 4.287,45 4.56,46 3.299,47 3.239,48 5.392,49 3.161,50 4.02,51 4.242,52 3.06,53 2.985,54 5.332,55 2.938,56 0.133,57 0.522,58 7.454,59 2.757,60 16.212,61 3.633,62 0.357,63 0.737,64 13.445,65 4.697,66 30.41,67 6.029,68 0.408,69 0.858,70 13.931,71 4.972,72 32.977,73 6.71,74 0.479,75 0.904,76 18.451,77 6.031,78 47.191,79 8.428,80 0.543,81 0.848,82 20.995,83 6.017,84 58.861,85 8.645,86 0.441,87 0.753,88 18.018,89 4.991,90 43.83,91 7.395,92 0.536,93 0.64,94 18.227,95 4.948,96 43.493,97 7.909,98 0.392,99 0.524,100 12.937,101 3.192,102 43.523,103 5.066,104 30,105 29,106 0.314,107 0.679,108 0.771,109 0.791,110 0.791,111 0.791,112 3.058,113 0.836,114 -2.23,115 -2.27,116 -2.24,119 36.1,121 1,124 2,139 2,140 2,141 3,142 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 4,172 3,173 3,175 1,178 4,180 1,182 4,185 2,187 3,189 2,191 1,192 1,193 6,195 1,196 1,197 1,198 3,200 2,204 2,205 1,207 6,212 4,218 3,226 2,231 1,233 4,236 2,237 2,239 2,243 2,249 2,250 1,253 1,262 2,263 2,273 478,274 13.257,275 13.257,276 13.257,277 13.257,278 13.257,279 11.651,280 19.764,281 7.636,282 13.808,283 10.194,284 10.194,285 10.194,286 10.194,287 10.194,288 7.733,289 27.345,290 3.438,291 10.915,292 3.468,293 1.486,294 0.986,295 0.875,296 0.875,297 0.875,298 3.711,301 1,302 1,303 327,304 2.55,307 134.953,314 1.16,315 24.265,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 45,327 161,328 4.409,329 3.339,330 6.431,331 4.002,332 3.046,333 4.097,334 0.86,335 9.855,336 2.915,337 4.225,338 3.067,339 6.085,340 3.803,341 2.85,342 3.873,343 0.86,344 8.822,345 2.713,346 3.586,347 2.555,348 5.257,349 3.214,350 2.263,351 2.919,352 0.68,353 6.62,354 2.15,355 3.355,356 2.516,357 5.19,358 2.972,359 2.061,360 2.652,362 6.118,363 1.867,364 3.352,365 2.156,366 4.917,367 2.93,368 1.987,369 2.604,371 5.628,372 1.863,373 2.821,374 1.662,375 4.136,376 2.348,377 1.414,378 1.95,380 3.658,381 1.317,382 1.982,383 1.548,384 3.506,385 1.731,386 0.896,387 0.946,389 1.805,390 0.743,391 1.618,392 0.916,393 2.989,394 1.331,395 0.398,396 0.469,398 0.885,399 0.37,400 1.576,401 0.744,402 2.859,403 1.27,404 0.396,405 0.452,407 0.603,408 0.342,409 1.139,410 0.417,411 2.359,412 0.821,413 -0.079,414 -0.091,415 -0.142,416 -0.07,417 0.798,418 -0.277,419 2.332,420 0.394,421 -0.514,422 -0.621,423 -1.242,424 -0.466,425 0.65,426 -0.314,427 2.294,428 0.275,429 -0.654,430 -0.762,431 -1.622,432 -0.604,433 0.553,434 -0.339,435 1.907,436 0.24,437 -0.694,438 -0.878,439 -1.641,440 -0.637,441 0.08,442 -0.872,443 1.387,444 -0.246,445 -1.178,446 -1.463,448 -3.168,449 -1.092,450 -0.116,451 -0.958,452 1.352,453 -0.47,454 -1.414,455 -1.675,457 -3.903,458 -1.278,459 9.1,460 0.455,461 0.541,462 0.027,463 27.75,464 1.388,465 14.5,466 0.725,467 13.25,468 0.663,469 12.914,470 0.646,471 22.7,472 0.631,473 19.932,474 0.997,475 5.824,476 0.291,477 3.721,478 0.186,479 0.234,481 0.385,485 1.084,486 1.341,487 0.835,488 1.122,489 1.201,490 0.932,491 1.089,492 0.772,493 0.744,494 0.794,495 0.7,496 0.719,497 0.883,498 1.365,499 0.974,500 1.275,501 0.817,502 1.158,503 0.927,504 1.105,505 1.107,506 1.254,507 1.024,508 1.228,509 1.277,510 0.999,511 1.14,512 1.008,513 1.318,514 1.049,515 1.209,516 1.108,517 1.166,518 1.102,519 1.08,520 1.122,521 0.468,522 0.853,523 0.594,524 0.854,525 0.419,526 0.786,527 1.025,528 1.356,529 1.068,530 1.221,531 0.987,532 1.18,533 5,535 2.444,536 1.813,537 1.338,538 0.528,539 0.507,540 0.326,541 0.164,542 0.123,543 3301,544 11119,545 1.938,546 44.4,547 2,548 8,550 1,551 5,555 1.62,556 1.765,557 3.013,558 2.917,560 1,562 1,564 61.257,565 1.702,566 3.684,567 4.184,568 4.295,569 4.295,570 4.295,571 2.441,572 3.784,573 4.296,574 3.138,575 596.265,576 7.351,577 6093.63,578 1,579 1,582 186.117,583 1.559,584 4.219,585 0.238,587 0.084,588 0.058,589 0.051,590 0.024,591 0.027,592 0.017,593 0.012,594 0.02,595 0.532,596 0.33,597 1,598 1.048,599 87.987,600 -0.195,601 -0.072,602 -0.007,603 -0.003,604 -0.276,605 0.047,606 -0.049,607 0.331,608 0.175,609 0.27,610 0.073,611 0.264,612 0.073,613 -0.177,614 -0.115,615 -0.178,616 0.07,617 -0.18,618 -0.012,619 -0.052,620 -0.19,621 -0.225,622 -0.063,623 -0.244,624 -0.235,625 -0.082,626 -0.155,627 -0.016,628 -0.232,629 -0.063,630 -0.222,631 -0.158,632 -0.193,633 -0.13,634 -0.21,635 -0.15,636 0.425,637 -0.023,638 0.435,639 0.096,640 0.362,641 0.229,642 0.064,643 -0.42,644 -0.067,645 -0.301,646 0.178,647 -0.246,648 1.708,649 3.854,650 0.6,651 13.7,652 1.019,653 1.142,654 0.998,655 0.995,656 0.638,657 3.091,658 3.401,659 3.638,660 3.829,661 4.007,662 3.951,663 3.989,664 3.97,665 3.932,666 3.892,667 4.962,668 0.622,669 276.33,670 3.091,671 4.615,672 5.451,673 6.319,674 7.172,675 8.042,676 8.902,677 9.771,678 10.634,679 11.503,680 11.1,684 2,690 2,695 3,696 2,700 7,702 12,711 2,715 1,716 2,718 36,719 12,720 1,721 21,723 37,724 13,725 10,726 4,727 2,729 2,730 2,739 1,741 10,742 3,753 1,754 1,757 16,758 7,759 5,760 7,764 4,769 1,770 3,776 1,781 2,802 2,806 2,810 20,811 2,815 1,816 1,818 2,829 8.3,831 1,834 2,836 11.333,837 6.85,838 4.583,839 1.704,840 2.26,841 1.36,842 0.924,843 4.391,844 8.531,845 3.332,846 3.951,847 4.494,848 5.007,849 5.515,850 5.596,851 5.792,852 6.088,853 6.411,854 6.683,855 1,856 31,857 7.299,859 2.982,860 8.008,861 13.406,863 10.228,865 2.508,866 50.167,870 129.482,871 73.386,872 99.365,874 64.683,877 73.386,878 194.165,879 99.365,880 21.766,881 2.535,882 84.747,883 88.026,884 47.905,885 4.227,886 117.711,888 129.482,889 172.751,890 64.683,893 129.482,894 64.683,897 13.481,898 125.699,899 33.571,901 129.482,902 164.049,903 73.386,906 129.482,907 23.62,908 49.766,910 164.049,911 129.482,912 164.049,913 73.386,915 0.578,916 0.351,917 0.183,918 0.096,919 13,920 7,921 0.108,922 4,924 1,925 3.105,926 143.998,928 12,929 78.439,933 14.524,934 6.047,935 3.184,937 164.049,938 4.977,939 7.819,943 2.644,945 108.478,946 366.916,947 27,956 36.691,957 41.113,958 0.329,959 0.712,960 0.809,961 0.831,962 0.831,963 0.831,964 4.554,965 0.398,966 5.451,967 1.805,968 4.078,969 4.635,970 1.586,971 6.252,972 3.957,973 5.779,974 0.396,975 7.017,976 0.885,977 3.761,978 4.559,980 7.135,981 3.601,982 7.099,983 -0.079,984 8.676,985 0.603,986 5.673,987 6.857,988 1.285,989 10.187,990 5.464,991 8.453,992 -0.514,993 10.386,994 -0.142,995 6.111,996 7.512,998 11.813,999 5.851,1000 9.831,1001 -0.654,1002 12.128,1003 -1.242,1004 7.531,1005 9.335,1006 1.035,1007 14.402,1008 7.239,1009 11.228,1010 -0.694,1011 13.891,1012 -1.622,1013 8.316,1014 10.335,1016 16.361,1017 7.97,1018 12.638,1019 -1.178,1020 15.669,1021 -1.641,1022 9.541,1023 11.952,1024 0.828,1025 18.771,1026 9.166,1027 3.046,1028 -1.414,1029 17.459,1030 -3.168,1031 10.491,1032 13.133,1034 20.889,1035 10.062,1036 2.85,1037 9.855,1038 19.258,1039 -3.903,1040 11.638,1041 14.647,1042 0.656,1043 23.222,1044 11.176,1045 2.263,1046 8.822,1047 21.066,1048 4.097,1049 12.665,1050 15.924,1052 25.418,1053 12.152,1054 2.061,1055 6.62,1056 22.88,1057 3.873,1058 13.78,1059 17.384,1060 0.515,1061 27.717,1062 13.231,1063 1.987,1064 6.118,1065 24.699,1066 2.919,1067 14.844,1068 18.714,1070 29.951,1071 14.246,1072 1.414,1073 5.628,1074 26.524,1075 2.652,1076 15.947,1077 20.145,1078 0.401,1079 32.236,1080 15.31,1081 0.896,1082 3.658,1083 28.352,1084 2.604,1085 17.029,1086 21.504,1088 34.491,1089 16.345,1090 3434,1091 6383,1092 13.235,1093 22.955,1094 30.706,1095 31.69,1096 33.028,1097 30.574,1098 30.622,1099 39.923,1100 4.8,1101 87.984,1102 28.557,1103 5.18,1104 5.339,1105 5.961,1106 5.072,1107 5.046,1108 7.097,1109 1.72,1110 16.776,1111 4.915,1112 12.132,1113 1.462,1114 1.509,1115 1.573,1116 1.456,1117 1.458,1118 1.901,1119 0.229,1120 4.19,1121 1.36,1122 3.985,1123 4.011,1124 3.943,1125 3.889,1126 6.469,1127 3.898,1128 3.809,1129 3.847,1130 3.777,1131 3.644,1132 5.29,1133 3.671,1134 3.303,1135 3.355,1136 3.165,1137 3.055,1138 4.979,1139 3.076,1140 3.285,1141 3.352,1142 3.144,1143 3.006,1144 4.823,1145 3.026,1146 3.108,1147 3.212,1148 2.922,1149 2.835,1150 4.58,1151 2.834,1152 2.995,1153 3.103,1154 2.814,1155 2.672,1156 4.453,1157 2.699,1158 2.84,1159 2.924,1160 2.699,1161 2.562,1162 4.188,1163 2.584,1164 2.704,1165 2.776,1166 2.498,1167 2.559,1168 3.745,1169 2.537,1170 0.21,1171 0.159,1172 0.306,1173 0.191,1174 0.145,1175 4.409,1176 0.195,1177 3.339,1178 0.041,1179 6.431,1180 0.469,1181 4.002,1182 0.139,1183 3.046,1184 4.097,1185 0.86,1186 9.855,1187 2.915,1188 1.926,1189 1.908,1190 2.014,1191 2.047,1192 1.203,1193 2.035,1194 1.725,1195 1.687,1196 1.804,1197 1.919,1198 0.855,1199 1.886,1200 1.227,1201 1.163,1202 1.59,1203 1.558,1204 0.584,1205 1.565,1206 1.219,1207 1.155,1208 1.552,1209 1.507,1210 0.561,1211 1.521,1212 1.067,1213 0.975,1214 1.349,1215 1.386,1216 0.356,1217 1.385,1218 0.895,1219 0.787,1220 1.223,1221 1.281,1222 0.09,1223 1.279,1224 0.758,1225 0.669,1226 1.07,1227 1.101,1229 1.093,1230 0.727,1231 0.661,1232 1.004,1233 0.918,1235 0.951,1236 3.761,1238 5.069,1240 6.581,1242 8.186,1244 9.838,1246 2.942,1250 11.254,1251 9.854,1252 0.471,1254 10.205,1262 22.391,1263 61.257,1264 132.608,1265 150.608,1266 154.608,1267 154.608,1268 154.608,1269 35.348,1270 6.271,1271 116.51,1272 116.51,1273 12,1274 12.048,1275 3.7,1276 2.807,1277 36.32,1278 59,1279 58,1280 0.31,1281 142.286,1282 241.47,1283 338.937,1284 3455,1286 14.698,1287 0.735,1288 0.563,1289 14.698,1290 11.252,1291 9.545,1292 0.455,1293 0.279,1294 5.706,1295 8.97,1296 5.514,1297 4.639,1298 9.545,1299 5.855,1300 8.424,1301 0.29,1302 0.144,1303 8.424,1304 4.164,1305 7.053,1306 0.191,1307 0.077,1308 7.053,1309 2.851,1310 5.542,1311 0.123,1312 0.041,1313 5.542,1314 1.84,1315 4.226,1316 0.078,1317 0.023,1318 4.226,1319 1.223,1320 0.473,1321 61.519,1322 0.275,1323 19.684,1324 0.885,1325 100,1326 351.535,1327 113.911,1328 333.315,1329 446.41,1330 310,1331 116,1332 322.093,1333 129.855,1334 328.375,1335 472.05,1336 303,1337 4.036}
{0 CHEMBL118237,1 1.395,2 8.05,3 2.527,4 6.384,5 86.052,6 6.62,7 0.571,8 3.78,9 3.942,10 3.22,11 3.278,12 4.907,13 3.237,14 4.266,15 4.48,16 3.576,17 3.666,18 5.305,19 3.592,20 4.481,21 4.684,22 3.653,23 3.841,24 5.505,25 3.745,26 4.692,27 4.956,28 3.544,29 3.877,30 5.668,31 3.732,32 4.678,33 4.958,34 3.398,35 3.821,36 5.546,37 3.649,38 4.624,39 4.928,40 3.229,41 3.687,42 5.435,43 3.495,44 4.501,45 4.839,46 3.21,47 3.477,48 5.279,49 3.307,50 4.153,51 4.411,52 3.057,53 3.218,54 5.347,55 3.111,56 0.07,57 0.628,58 9.622,59 3.289,60 13.553,61 5.125,62 0.178,63 0.934,64 15.909,65 6.158,66 21.414,67 9.01,68 0.11,69 1.141,70 19.683,71 7.028,72 20.591,73 10.866,74 0.265,75 1.225,76 25.061,77 8.19,78 44.285,79 12.901,80 0.198,81 1.147,82 24.632,83 8.277,84 36.843,85 13.041,86 0.194,87 1.021,88 23.521,89 7.646,90 32.824,91 12.227,92 0.147,93 0.855,94 20.931,95 6.514,96 26.655,97 10.708,98 0.247,99 0.721,100 15.003,101 3.345,102 39.843,103 6.121,104 38,105 30,106 0.25,107 0.601,108 0.768,109 0.818,110 0.827,111 0.827,112 3.058,113 0.948,114 -4.01,115 -3.96,116 -3.75,119 36.6,120 3,121 1,122 1,139 2,140 4,141 1,142 1,144 1,147 1,157 3,158 3,159 3,166 10,169 1,170 2,172 3,173 3,175 3,178 12,180 3,182 2,187 5,189 12,191 5,193 2,195 1,196 1,197 1,198 5,200 2,201 11,204 5,205 1,207 4,212 4,215 8,218 4,221 4,226 4,229 2,231 4,234 4,239 4,243 4,246 4,248 2,249 2,250 1,251 4,253 2,256 4,258 1,265 2,270 2,273 470,274 12.723,275 12.723,276 12.723,277 12.723,278 12.723,279 11.09,280 18.544,281 7.274,282 12.917,283 10.303,284 10.303,285 10.303,286 10.303,287 10.303,288 7.889,289 23.88,290 3.432,291 10.63,292 3.962,293 2.001,294 1.068,295 0.787,296 0.738,297 0.738,298 3.706,300 1,301 1,302 1,303 327,304 2.739,307 134.953,314 1.16,315 16,316 1,317 1,318 0.75,319 0.83,320 0.83,321 0.9,322 1,323 0.83,324 1,325 0.88,326 42.5,327 161,328 4.434,329 3.296,330 6.551,331 4.081,332 3.089,333 4.11,334 0.68,335 10.148,336 3.065,337 4.229,338 3.061,339 6.088,340 3.819,341 2.858,342 3.875,344 8.838,345 2.752,346 3.608,347 2.565,348 5.435,349 3.307,350 2.323,351 2.932,353 6.799,354 2.291,355 3.464,356 2.439,357 5.246,358 3.167,359 2.195,360 2.712,362 6.329,363 2.13,364 3.345,365 2.144,366 4.917,367 2.93,368 1.982,369 2.635,371 5.622,372 1.866,373 2.821,374 1.554,375 4.139,376 2.348,377 1.414,378 1.95,380 3.658,381 1.318,382 2.476,383 1.418,384 4.031,385 2.264,386 1.271,387 1.473,389 3.127,390 1.261,391 1.713,392 0.733,393 3.198,394 1.442,395 0.484,396 0.571,398 1.201,399 0.462,400 1.378,401 0.429,402 2.671,403 1.1,404 0.15,405 0.175,407 0.347,408 0.142,409 0.884,410 -0.173,411 2.583,412 0.545,413 -0.445,414 -0.554,415 -1.173,416 -0.44,417 0.798,418 -0.314,419 2.359,420 0.394,421 -0.514,422 -0.621,423 -1.243,424 -0.467,425 0.599,426 -0.426,427 2.108,428 0.329,429 -0.644,430 -0.782,431 -1.796,432 -0.627,433 0.102,434 -0.911,435 1.673,437 -1,438 -1,439 -2,440 -1,442 -1,443 1.482,444 -0.204,445 -1.159,446 -1.434,448 -3.169,449 -1.095,450 -0.084,451 -1.081,452 1.371,453 -0.376,454 -1.353,455 -1.596,457 -3.692,458 -1.322,459 9.5,460 0.475,461 0.706,462 0.035,463 25.75,464 1.288,465 13.5,466 0.675,467 12.25,468 0.613,469 16.384,470 0.819,471 22.3,472 0.544,473 17.186,474 0.859,475 4.835,476 0.242,477 4.545,478 0.227,479 0.284,481 0.421,485 1.261,486 1.21,487 0.993,488 1.007,489 1.453,490 0.973,491 0.386,492 0.891,493 0.711,494 0.933,495 0.379,496 0.873,497 0.899,498 1.39,499 1.08,500 1.317,501 0.811,502 1.235,503 0.989,504 1.014,505 1.127,506 1.12,507 1.045,508 1.137,509 0.883,510 1.052,511 1.077,512 1.138,513 0.925,514 1.132,515 0.812,516 0.999,517 0.98,518 1.055,519 0.851,520 1.041,521 0.463,522 0.956,523 0.516,524 0.772,525 0.426,526 0.669,527 1.706,528 1.294,529 1.425,530 1.246,531 1.547,532 1.293,533 5.5,535 2.667,536 1.813,537 1.498,538 0.472,539 0.548,540 0.389,541 0.164,542 0.123,543 3285,544 7961,545 1.911,546 51.2,547 12,548 2,550 1,551 6,555 1.62,556 1.714,557 3.005,558 3.764,560 1,562 1,564 57.208,565 1.395,566 3.357,567 4.29,568 4.571,569 4.619,570 4.619,571 2.441,572 4.022,573 4.297,574 3.135,575 595.591,576 7.349,577 6062.6,578 1,579 1,581 1,582 219.66,583 1.571,584 4.201,585 0.262,587 0.089,588 0.058,589 0.058,590 0.021,591 0.03,592 0.02,593 0.012,594 0.02,595 0.571,596 0.5,597 1,598 0.953,599 87.906,600 -0.213,601 0.102,602 -0.012,603 0.127,604 -0.325,605 0.089,606 0.401,607 0.252,608 0.244,609 0.188,610 0.323,611 0.195,612 -0.078,613 -0.229,614 -0.129,615 -0.203,616 -0.044,617 -0.177,618 -0.055,619 0.011,620 -0.161,621 -0.11,622 -0.053,623 -0.143,624 -0.091,625 -0.092,626 -0.127,627 -0.122,628 -0.075,629 -0.128,630 -0.025,631 -0.107,632 -0.028,633 -0.071,634 -0.07,635 -0.053,636 0.269,637 -0.171,638 0.441,639 0.179,640 0.289,641 0.308,642 -0.088,643 -0.186,644 -0.379,645 -0.388,646 -0.05,647 -0.414,648 1.47,649 2.13,650 0.6,651 13.3,652 0.99,653 1.142,654 2.78,655 7.731,656 0.637,657 3.091,658 3.434,659 3.638,660 3.829,661 4.007,662 3.932,663 3.989,664 3.951,665 3.932,666 3.892,667 4.945,668 0.593,669 271.41,670 3.091,671 4.635,672 5.468,673 6.344,674 7.197,675 8.071,676 8.932,677 9.805,678 10.669,679 11.541,680 12.2,684 3,690 2,695 3,696 2,700 7,702 12,711 3,718 41,719 12,720 1,721 21,723 42,724 15,725 10,726 4,727 2,729 2,730 2,734 3,739 1,741 10,742 5,743 1,753 1,754 1,757 21,758 5,759 6,760 5,764 5,769 1,776 1,781 2,802 2,806 3,810 20,811 3,816 1,820 1,836 11.667,837 7.983,838 4.361,839 2.321,840 2.261,841 1.361,842 0.968,843 4.141,844 8.53,845 3.332,846 3.97,847 4.494,848 5.007,849 5.515,850 5.587,851 5.792,852 6.077,853 6.411,854 6.683,855 1,856 31,857 7.329,859 2.988,860 7.725,861 14.002,863 11.159,865 2.225,866 44.5,867 0.001,870 176.567,871 76.736,872 132.263,877 76.736,878 176.567,879 132.263,880 26.476,881 2.535,882 117.644,883 45.342,884 24.546,885 4.227,886 164.795,888 176.567,889 208.999,893 176.567,897 39.957,898 135.471,899 33.571,901 176.567,902 132.263,903 76.736,906 176.567,907 22.261,908 54.476,910 132.263,911 176.567,912 132.263,913 76.736,915 0.597,916 0.343,917 0.172,918 0.093,919 14,920 8,921 0.071,922 3,924 1,925 3.074,926 145.055,928 12,929 84.439,933 14.601,934 5.673,935 3.217,937 132.263,938 5.887,939 7.983,943 5.764,945 98.692,946 385.565,947 27,956 40.578,957 46.813,958 0.26,959 0.627,960 0.801,961 0.853,962 0.862,963 0.862,964 4.575,965 0.484,966 5.493,967 3.127,968 4.111,969 4.654,970 0.655,971 6.304,972 4.056,973 5.816,974 0.15,975 7.071,976 1.201,977 3.892,978 4.62,980 7.209,981 3.821,982 7.139,983 -0.445,984 8.742,985 0.347,986 5.72,987 6.872,988 0.356,989 10.268,990 5.625,991 8.494,992 -0.514,993 10.464,994 -1.173,995 6.217,996 7.544,998 11.917,999 6.111,1000 9.874,1001 -0.644,1002 12.216,1003 -1.243,1004 7.6,1005 9.351,1006 0.18,1007 14.526,1008 7.476,1009 11.271,1010 -1,1011 13.99,1012 -1.796,1013 8.42,1014 10.361,1016 16.514,1017 8.287,1018 12.683,1019 -1.159,1020 15.78,1021 -2,1022 9.633,1023 11.972,1024 0.087,1025 18.945,1026 9.485,1027 3.089,1028 -1.353,1029 17.582,1030 -3.169,1031 10.605,1032 13.158,1034 21.096,1035 10.449,1036 2.858,1037 10.148,1038 19.394,1039 -3.692,1040 11.751,1041 14.671,1042 0.041,1043 23.452,1044 11.582,1045 2.323,1046 8.838,1047 21.216,1048 4.11,1049 12.795,1050 15.952,1052 25.681,1053 12.619,1054 2.195,1055 6.799,1056 23.044,1057 3.875,1058 13.916,1059 17.412,1060 0.019,1061 28.006,1062 13.73,1063 1.982,1064 6.329,1065 24.878,1066 2.932,1067 14.995,1068 18.746,1070 30.275,1071 14.801,1072 1.414,1073 5.622,1074 26.718,1075 2.712,1076 16.107,1077 20.178,1078 0.009,1079 32.588,1080 15.906,1081 1.271,1082 3.658,1083 28.562,1084 2.635,1085 17.203,1086 21.541,1088 34.876,1089 16.995,1090 3420,1091 5431,1092 12.948,1093 26.12,1094 31.794,1095 31.919,1096 33.496,1097 31.518,1098 31.533,1099 40.866,1100 1.36,1101 92.136,1102 30.574,1103 5.205,1104 5.296,1105 5.854,1106 5.151,1107 5.089,1108 7.11,1109 1.36,1110 17.167,1111 5.065,1112 13.128,1113 1.514,1114 1.52,1115 1.595,1116 1.501,1117 1.502,1118 1.946,1119 0.065,1120 4.387,1121 1.456,1122 4.018,1123 4.052,1124 3.964,1125 3.954,1126 5.291,1127 3.952,1128 3.833,1129 3.887,1130 3.792,1131 3.678,1132 5.09,1133 3.699,1134 3.529,1135 3.6,1136 3.358,1137 3.4,1138 4.978,1139 3.382,1140 3.281,1141 3.362,1142 3.152,1143 3.106,1144 4.526,1145 3.107,1146 3.068,1147 3.184,1148 2.907,1149 2.836,1150 4.415,1151 2.832,1152 3.008,1153 3.135,1154 2.794,1155 2.7,1156 4.147,1157 2.722,1158 2.886,1159 3.009,1160 2.727,1161 2.618,1162 3.856,1163 2.604,1164 2.874,1165 3.004,1166 2.499,1167 2.576,1168 3.742,1169 2.57,1170 0.211,1171 0.157,1172 0.312,1173 0.194,1174 0.147,1175 4.434,1176 0.196,1177 3.296,1178 0.032,1179 6.551,1180 0.483,1181 4.081,1182 0.146,1183 3.089,1184 4.11,1185 0.68,1186 10.148,1187 3.065,1188 1.989,1189 1.964,1190 2.099,1191 2.078,1192 1.317,1193 2.085,1194 1.766,1195 1.719,1196 1.892,1197 1.952,1198 1.077,1199 1.932,1200 1.551,1201 1.485,1202 1.799,1203 1.728,1204 0.892,1205 1.764,1206 1.26,1207 1.187,1208 1.535,1209 1.491,1210 0.571,1211 1.509,1212 1.039,1213 0.944,1214 1.417,1215 1.355,1216 0.469,1217 1.368,1218 0.934,1219 0.809,1220 1.35,1221 1.32,1222 0.335,1223 1.318,1224 0.923,1225 0.804,1226 1.244,1227 1.239,1228 0.047,1229 1.308,1230 0.809,1231 0.693,1232 1.152,1233 1.172,1235 1.18,1236 3.761,1238 5.094,1240 6.613,1242 8.222,1244 9.876,1246 6.29,1250 17.519,1252 0.674,1256 0.383,1262 24.321,1263 57.208,1264 137.621,1265 175.885,1266 187.395,1267 189.395,1268 189.395,1269 32.955,1270 6.269,1271 103.84,1272 103.84,1273 12,1274 12.084,1275 3.7,1276 2.807,1277 36.349,1278 59,1279 58,1280 0.311,1281 156.276,1282 260.7,1283 373.073,1284 3443,1286 14.861,1287 0.743,1288 0.607,1289 14.861,1290 12.143,1291 9.38,1292 0.447,1293 0.316,1294 6.579,1295 9.14,1296 6.254,1297 5.318,1298 9.38,1299 6.639,1300 8.973,1301 0.299,1302 0.18,1303 8.973,1304 5.386,1305 6.985,1306 0.189,1307 0.092,1308 6.985,1309 3.412,1310 5.436,1311 0.121,1312 0.051,1313 5.436,1314 2.273,1315 4.178,1316 0.077,1317 0.028,1318 4.178,1319 1.535,1320 0.475,1321 58.008,1322 0.278,1323 19.657,1324 0.888,1325 102,1326 243.227,1327 109.077,1328 250.959,1329 347.27,1330 232,1331 118,1332 264.817,1333 124.495,1334 276.187,1335 395.91,1336 257,1337 6.959}
{0 CHEMBL118480,1 1.905,2 7.833,3 2.482,4 6.159,5 88.63,6 16.716,7 0.632,8 3.454,9 3.571,10 3.723,11 3.191,12 4.731,13 3.079,14 3.861,15 3.998,16 4.251,17 3.625,18 5.137,19 3.447,20 4.079,21 4.219,22 4.592,23 3.789,24 5.344,25 3.567,26 4.142,27 4.357,28 5.172,29 3.87,30 5.287,31 3.457,32 3.984,33 4.218,34 3.804,35 3.51,36 5.023,37 3.2,38 3.773,39 3.988,40 4.07,41 3.351,42 4.95,43 3.096,44 3.655,45 3.87,46 4.479,47 3.258,48 4.902,49 2.974,50 3.248,51 3.396,52 3.546,53 2.918,54 4.801,55 2.539,56 0.09,57 0.44,58 13.097,59 2.094,60 15.766,61 1.886,62 0.145,63 0.674,64 29.643,65 3.783,66 18.312,67 4.356,68 0.119,69 0.817,70 54.375,71 7.847,72 16.986,73 5.207,74 0.258,75 0.857,76 149.791,77 12.975,78 40.027,79 7.314,80 0.155,81 0.715,82 107.295,83 11.163,84 25.398,85 7.474,86 0.192,87 0.582,88 33.022,89 4.869,90 29.625,91 3.8,92 0.087,93 0.568,94 59.421,95 8.28,96 15.52,97 4.568,98 0.194,99 0.339,100 60.318,101 6.089,102 28.033,103 3.163,104 26,105 27,106 0.371,107 0.751,108 0.812,109 0.84,110 0.84,111 0.84,112 2.96,113 1.131,114 -4.28,115 -4.22,116 -3.98,119 39.3,121 1,139 2,140 2,141 3,142 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 2,172 3,173 3,175 1,178 6,180 1,182 2,187 5,189 4,191 1,193 2,195 1,196 1,197 1,198 3,200 2,201 5,204 2,205 1,207 4,212 4,215 2,218 3,226 2,231 1,234 4,239 4,243 4,249 2,250 1,253 1,265 2,270 2,273 332,274 11.516,275 11.516,276 11.516,277 11.516,278 11.516,279 9.806,280 14.894,281 6.59,282 12.097,283 9.319,284 9.319,285 9.319,286 9.319,287 9.319,288 6.88,289 20.01,290 3.128,291 10.48,292 2.903,293 0.956,294 0.643,295 0.5,296 0.5,297 0.5,298 3.607,301 1,302 1,303 289,304 2.121,307 118.615,314 1.093,315 17.609,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 37.8,327 141,328 4.379,329 3.344,330 6.316,331 3.925,332 3.007,333 4.07,334 0.68,335 9.361,336 2.808,337 4.22,338 3.066,339 6.082,340 3.765,341 2.84,342 3.871,344 8.775,345 2.518,346 3.58,347 2.514,348 5.254,349 3.194,350 2.255,351 2.912,353 6.584,354 2.054,355 3.349,356 2.461,357 4.917,358 2.925,359 1.984,360 2.648,362 5.625,363 1.846,364 3.232,365 2.155,366 4.879,367 2.639,368 1.879,369 2.481,371 5.225,372 1.317,373 2.821,374 1.568,375 4.135,376 2.348,377 1.414,378 1.95,380 3.658,381 1.135,382 1.769,383 1.317,384 3.266,385 1.435,386 0.569,387 0.652,389 1.375,390 0.425,391 1.453,392 0.616,393 2.7,394 1.045,395 0.242,396 0.28,398 0.549,399 0.106,400 1,401 0.093,402 2.653,403 0.403,404 -0.347,405 -0.445,407 -0.898,408 -0.084,409 0.802,410 -0.122,411 2.359,412 0.395,413 -0.509,414 -0.615,415 -1.242,416 -0.255,417 0.677,418 -0.314,419 2.117,420 0.334,421 -0.534,422 -0.627,423 -1.372,424 -0.466,425 0.139,426 -0.621,427 1.488,428 -0.239,429 -1.108,430 -1.328,431 -2.81,432 -0.724,433 -0.043,434 -0.942,435 1.468,436 -0.469,437 -1.277,438 -1.539,439 -3.349,440 -1.051,441 -0.151,442 -1.258,443 1.37,444 -0.611,445 -1.414,446 -1.858,448 -4.04,449 -1.11,450 -0.232,451 -1.264,452 1.218,453 -0.714,454 -1.532,455 -2.036,457 -4.176,458 -1.334,459 10.719,460 0.596,461 0.617,462 0.034,463 24.75,464 1.375,465 13.5,466 0.75,467 11.25,468 0.625,469 16.053,470 0.892,471 17.481,472 0.624,473 12.331,474 0.685,475 4.323,476 0.24,477 4.147,478 0.23,479 0.412,481 0.327,485 1.208,486 0.864,487 0.481,488 0.436,489 1.284,490 0.526,491 0.488,492 0.673,493 0.607,494 0.559,495 0.501,496 0.645,497 1.026,498 1.185,499 1.006,500 1.058,501 0.888,502 1.082,503 0.946,504 0.78,505 0.729,506 0.718,507 0.938,508 0.956,509 0.698,510 1.06,511 1.172,512 1.194,513 0.689,514 1.218,515 1.379,516 0.836,517 0.679,518 0.581,519 1.347,520 0.676,521 0.797,522 1.588,523 1.478,524 1.597,525 0.683,526 1.105,527 1.05,528 1.179,529 1.984,530 1.901,531 1.397,532 1.692,533 5,535 2.444,536 1.563,537 1.178,538 0.347,539 0.507,540 0.264,541 0.14,542 0.051,543 2535,544 10973,545 1.931,546 35.7,547 2,548 2,550 1,551 5,555 1.586,556 1.742,557 2.965,558 3.08,560 1,563 2,564 53.333,565 1.905,566 3.852,567 4.164,568 4.307,569 4.307,570 4.307,571 2.414,572 3.461,573 4.146,574 3.058,575 467.864,576 7.031,577 4394.42,582 134.606,583 1.572,584 4.056,585 0.263,587 0.091,588 0.058,589 0.059,590 0.022,591 0.032,592 0.018,593 0.017,594 0.013,595 0.572,596 0.17,597 0.88,598 0.745,599 76.026,600 -0.304,601 0.152,602 -0.007,603 0.068,604 -0.35,605 0.116,606 0.242,607 0.306,608 0.003,609 0.07,610 0.164,611 0.113,612 -0.145,613 -0.201,614 -0.066,615 -0.142,616 -0.05,617 -0.211,618 -0.096,619 0.17,620 0.179,621 0.205,622 -0.09,623 0.025,624 -0.025,625 -0.137,626 -0.144,627 -0.166,628 -0.03,629 -0.144,630 -0.308,631 0.134,632 0.016,633 0.166,634 -0.305,635 0.208,636 0.132,637 -0.615,638 -0.054,639 -0.229,640 0.22,641 0.077,642 0.503,643 -0.135,644 -0.325,645 -0.334,646 0.278,647 -0.57,648 1.494,649 3.707,650 0.667,651 10.889,652 1.015,653 1.118,654 3.048,655 9.293,656 0.851,657 2.996,658 3.332,659 3.526,660 3.689,661 3.85,662 3.807,663 3.738,664 3.738,665 3.761,666 3.555,667 4.67,668 0.734,669 468.05,670 2.996,671 4.533,672 5.361,673 6.229,674 7.072,675 7.94,676 8.789,677 9.656,678 10.507,679 11.374,680 14.3,684 2,690 2,695 3,696 2,700 7,702 12,711 2,715 1,717 2,718 28,719 12,720 1,721 19,723 29,724 11,725 10,726 4,727 2,729 2,730 2,739 1,741 10,742 1,754 1,757 10,758 5,759 5,760 7,761 2,762 2,764 4,769 1,770 1,776 1,781 2,802 2,809 2,810 18,811 2,815 1,816 1,828 2,829 3.6,831 1,836 10.333,837 4.802,838 3.917,839 1.359,840 2.258,841 1.373,842 0.999,843 4.487,844 8.32,845 3.258,846 3.912,847 4.425,848 4.924,849 5.421,850 5.49,851 5.574,852 5.949,853 6.306,854 6.495,855 1,856 27,857 6.579,859 2.717,860 7.911,861 12.297,863 9.708,865 2.411,866 43.407,867 0.001,870 58.856,871 158.016,872 99.365,874 42.683,876 113.564,877 44.452,878 101.539,879 99.365,881 2.535,882 84.747,883 88.026,884 18.738,885 4.227,886 160.648,888 58.856,889 143.817,890 42.683,892 113.564,893 58.856,894 42.683,897 13.481,898 96.765,899 33.571,900 113.564,901 58.856,902 142.049,903 44.452,904 113.564,906 58.856,907 16.452,908 141.564,910 142.049,911 58.856,912 142.049,913 44.452,914 113.564,915 0.597,916 0.343,917 0.164,918 0.085,919 13,920 7,921 0.069,922 2,924 1,925 2.938,926 123.961,928 12,929 69.059,933 14.067,934 5.741,935 3.366,937 142.049,938 5.45,939 7.856,943 4.352,945 108.478,946 358.92,947 25,956 28.407,957 31.305,958 0.396,959 0.801,960 0.866,961 0.896,962 0.896,963 0.896,964 4.489,965 0.242,966 5.38,967 1.375,968 4.007,969 4.595,970 0.655,971 6.172,972 3.787,973 5.735,974 -0.347,975 6.946,976 0.549,977 3.761,978 4.559,980 7.013,981 3.341,982 7.06,983 -0.509,984 8.604,985 -0.898,986 5.602,987 6.827,988 0.356,989 10.059,990 5.243,991 8.415,992 -0.534,993 10.309,994 -1.242,995 6.066,996 7.487,998 11.618,999 5.513,1000 9.793,1001 -1.108,1002 12.044,1003 -1.372,1004 7.455,1005 9.305,1006 0.18,1007 14.209,1008 6.947,1009 11.187,1010 -1.277,1011 13.797,1012 -2.81,1013 8.245,1014 10.3,1016 16.095,1017 7.568,1018 12.594,1019 -1.414,1020 15.565,1021 -3.349,1022 9.456,1023 11.917,1024 0.087,1025 18.497,1026 8.789,1027 3.007,1028 -1.532,1029 17.345,1030 -4.04,1031 10.4,1032 13.09,1034 20.545,1035 9.595,1036 2.84,1037 9.361,1038 19.133,1039 -4.176,1040 11.537,1041 14.604,1042 0.041,1043 22.856,1044 10.71,1045 2.255,1046 8.775,1047 20.929,1048 4.07,1049 12.554,1050 15.873,1052 24.986,1053 11.616,1054 1.984,1055 6.584,1056 22.73,1057 3.871,1058 13.659,1059 17.332,1060 0.019,1061 27.253,1062 12.68,1063 1.879,1064 5.625,1065 24.537,1066 2.912,1067 14.712,1068 18.654,1070 29.426,1071 13.638,1072 1.414,1073 5.225,1074 26.348,1075 2.648,1076 15.805,1077 20.081,1078 0.009,1079 31.67,1080 14.678,1081 0.569,1082 3.658,1083 28.163,1084 2.481,1085 16.874,1086 21.433,1088 33.865,1089 15.666,1090 2630,1091 5561,1092 11.849,1093 23.841,1094 28.554,1095 29.367,1096 29.911,1097 28.742,1098 28.379,1099 37.73,1100 1.36,1101 82.302,1102 24.42,1103 5.142,1104 5.344,1105 5.62,1106 4.995,1107 5.007,1108 7.07,1109 1.36,1110 16.195,1111 4.808,1112 11.125,1113 1.503,1114 1.546,1115 1.574,1116 1.513,1117 1.494,1118 1.986,1119 0.072,1120 4.332,1121 1.285,1122 3.971,1123 4.001,1124 10.699,1125 4.123,1126 6.468,1127 3.926,1128 3.795,1129 3.832,1130 10.692,1131 3.71,1132 5.29,1133 3.685,1134 3.224,1135 3.296,1136 3.88,1137 3.646,1138 4.979,1139 3.065,1140 3.017,1141 3.131,1142 3.66,1143 3.222,1144 4.584,1145 2.92,1146 2.863,1147 2.934,1148 3.078,1149 2.799,1150 4.423,1151 2.739,1152 2.846,1153 2.89,1154 2.86,1155 2.601,1156 3.748,1157 2.595,1158 2.533,1159 2.627,1160 2.703,1161 2.47,1162 3.671,1163 2.183,1164 2.249,1165 2.397,1166 2.447,1167 2.215,1168 3.635,1169 1.89,1170 0.23,1171 0.176,1172 0.332,1173 0.207,1174 0.158,1175 4.379,1176 0.214,1177 3.344,1178 0.036,1179 6.316,1180 0.493,1181 3.925,1182 0.148,1183 3.007,1184 4.07,1185 0.68,1186 9.361,1187 2.808,1188 1.932,1189 1.915,1190 1.982,1191 2.023,1192 1.218,1193 2.019,1194 1.726,1195 1.688,1196 1.76,1197 1.859,1198 0.871,1199 1.857,1200 1.16,1201 1.102,1202 1.348,1203 1.42,1204 0.381,1205 1.414,1206 0.908,1207 0.857,1208 1.221,1209 1.294,1210 0.173,1211 1.29,1212 0.877,1213 0.803,1214 1.065,1215 1.102,1217 1.097,1218 0.769,1219 0.676,1220 0.963,1221 0.894,1223 0.975,1224 0.464,1225 0.361,1226 0.836,1227 0.867,1229 0.869,1230 0.152,1232 0.523,1233 0.574,1235 0.568,1236 3.664,1238 4.99,1240 6.506,1242 8.109,1244 9.753,1249 4.19,1250 11.242,1251 9.707,1252 0.61,1262 20.541,1263 53.333,1264 107.851,1265 116.606,1266 120.606,1267 120.606,1268 120.606,1269 28.732,1270 6.061,1271 98.05,1272 98.05,1273 12,1274 11.922,1275 3.7,1276 2.807,1277 31.02,1278 51,1279 46,1280 0.314,1281 150.278,1282 239.85,1283 358.439,1284 2659,1285 7.1,1286 13.284,1287 0.738,1288 0.75,1289 16.284,1290 13.506,1291 8.469,1292 0.446,1293 0.377,1294 5.076,1295 6.867,1296 4.83,1297 3.986,1298 10.201,1299 7.166,1300 8.042,1301 0.298,1302 0.224,1303 10.267,1304 6.048,1305 6.451,1306 0.195,1307 0.122,1308 8.735,1309 4.033,1310 4.837,1311 0.124,1312 0.087,1313 7.255,1314 3.408,1315 3.529,1316 0.077,1317 0.033,1318 4.342,1319 1.519,1320 0.479,1321 79.968,1322 0.291,1323 17.926,1324 0.892,1325 92,1326 283.361,1327 397.972,1328 364.947,1329 468.45,1330 334,1331 106,1332 283.621,1333 234.805,1334 320.474,1335 464.09,1336 299,1337 5.004}
{0 CHEMBL118877,1 1.453,2 13.6,3 5.156,4 26.582,5 123.285,6 6.776,7 0.563,8 4.161,9 4.293,10 3.635,11 3.674,12 5.235,13 3.639,14 4.68,15 4.867,16 3.939,17 4.03,18 5.693,19 3.963,20 4.9,21 5.114,22 4.008,23 4.149,24 5.84,25 4.069,26 4.96,27 5.173,28 3.949,29 4.176,30 5.922,31 4.073,32 4.995,33 5.218,34 3.897,35 4.248,36 5.841,37 4.109,38 5.12,39 5.386,40 3.856,41 4.268,42 5.901,43 4.097,44 5.151,45 5.452,46 3.852,47 4.173,48 5.895,49 4.005,50 5.009,51 5.289,52 3.784,53 4.012,54 5.925,55 3.885,56 0.063,57 0.851,58 13.688,59 5.526,60 12.828,61 7.663,62 0.262,63 1.293,64 24.16,65 9.48,66 31.263,67 12.949,68 0.268,69 1.518,70 30.736,71 11.006,72 34.439,73 15.58,74 0.537,75 1.578,76 33.172,77 11.611,78 53.483,79 16.215,80 0.269,81 1.675,82 33.405,83 12.893,84 34.745,85 18.343,86 0.265,87 1.808,88 38.395,89 14.382,90 39.523,91 21.099,92 0.28,93 1.733,94 40.583,95 14.418,96 41.22,97 21.462,98 0.6,99 1.519,100 36.089,101 10.764,102 63.504,103 16.265,104 21,105 42,106 0.236,107 0.557,108 0.739,109 0.792,110 0.805,111 0.815,112 3.44,113 0.977,114 -5.33,115 -5.22,116 -4.88,119 40,120 2,121 4,125 2,139 7,140 4,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 14,169 1,170 8,172 3,173 3,175 1,178 15,180 1,182 8,187 1,189 14,191 1,192 1,193 6,195 1,196 1,197 1,198 2,200 2,201 15,204 2,205 1,207 5,212 3,215 14,218 3,221 9,226 3,229 7,231 3,234 10,239 4,241 1,243 4,245 2,246 8,248 1,249 1,251 4,254 5,256 4,260 1,265 2,268 12,270 2,273 1684,274 20.516,275 20.516,276 20.516,277 20.516,278 20.516,279 18.212,280 26.858,281 12.425,282 20.956,283 15.697,284 15.697,285 15.697,286 15.697,287 15.697,288 12.198,289 32.793,290 5.773,291 16.414,292 4.454,293 2.479,294 1.365,295 1.038,296 0.958,297 0.892,298 4.124,301 1,302 1,303 860,304 3.464,307 347.58,314 2.4,315 22.674,318 1,319 0.83,320 0.83,321 1,322 1,323 1,324 1,325 0.95,326 64,327 408,328 4.431,329 3.346,330 6.53,331 4.055,332 3.077,333 4.114,334 0.86,335 10.305,336 3.012,337 4.229,338 3.074,339 6.088,340 3.815,341 2.857,342 3.875,343 0.86,344 8.844,345 2.741,346 3.896,347 2.871,348 5.34,349 3.467,350 2.522,351 3.444,352 0.68,353 6.965,354 2.382,355 3.603,356 2.549,357 5.284,358 3.24,359 2.284,360 2.936,362 6.733,363 2.181,364 3.365,365 2.358,366 5.19,367 3.061,368 2.061,369 2.665,371 6.118,372 2.061,373 3.355,374 2.216,375 4.922,376 2.945,377 2.007,378 2.604,380 5.656,381 1.872,382 2.959,383 2.044,384 4.155,385 2.674,386 1.728,387 2.119,389 3.734,390 1.623,391 2.825,392 1.793,393 3.946,394 2.429,395 1.476,396 1.953,398 3.552,399 1.4,400 2.675,401 1.543,402 3.7,403 2.344,404 1.406,405 1.686,407 3.124,408 1.315,409 2.5,410 1.386,411 3.468,412 2.018,413 1.087,414 1.5,415 2.439,416 1,417 2.177,418 1,419 3.247,420 2,421 1,422 1.158,423 2.136,424 1,425 1.71,426 0.993,427 3.037,428 1.545,429 0.614,430 0.656,431 1.215,432 0.566,433 1.618,434 0.65,435 2.923,436 1.396,437 0.396,438 0.466,439 0.884,440 0.396,441 1.576,442 0.456,443 2.859,444 1.345,445 0.395,446 0.452,448 0.603,449 0.374,450 1.202,451 0.296,452 2.432,453 0.973,454 0.042,455 0.046,457 0.078,458 0.039,459 14.267,460 0.476,461 0.571,462 0.019,463 38.5,464 1.283,465 20,466 0.667,467 18.5,468 0.617,469 26.763,470 0.892,471 33.133,472 0.552,473 27.75,474 0.925,475 7.391,476 0.246,477 7.21,478 0.24,479 0.126,481 0.28,485 0.987,486 1.24,487 0.914,488 1.122,489 1.172,490 1.019,491 1.016,492 0.976,493 0.906,494 1.047,495 0.687,496 0.988,497 1.307,498 1.086,499 0.975,500 1.04,501 0.972,502 0.983,503 1.496,504 0.949,505 1.197,506 1.029,507 1.181,508 1.081,509 0.998,510 1.163,511 1.178,512 1.227,513 0.908,514 1.233,515 0.695,516 1.106,517 1.028,518 1.174,519 0.771,520 1.148,521 0.665,522 1.009,523 0.736,524 0.977,525 0.538,526 0.888,527 1.375,528 0.844,529 0.991,530 0.812,531 1.16,532 0.849,533 5.5,534 0.12,535 2.667,536 1.875,537 1.609,538 0.764,539 0.628,540 0.413,541 0.353,542 0.233,543 12678,544 30819,545 2.032,546 50,547 12,548 11,550 1,551 4,554 2,555 1.726,556 1.915,557 3.67,558 1.564,564 87.168,565 1.453,566 3.428,567 4.542,568 4.869,569 4.948,570 5.015,571 3.191,572 4.257,573 4.872,574 3.89,575 1692.09,576 8.49,577 24723.7,582 354.413,583 1.338,584 4.843,585 0.172,586 0.004,587 0.063,588 0.043,589 0.04,590 0.02,591 0.018,592 0.012,593 0.011,594 0.008,595 0.392,597 1,598 0.812,599 157.334,600 -0.058,601 -0.009,602 0.034,604 -0.153,605 0.03,606 0.103,607 0.111,608 0.072,609 0.017,610 0.194,611 0.031,612 -0.085,613 -0.059,614 0.021,615 -0.016,616 -0.034,617 0.012,618 -0.071,619 0.073,620 -0.182,621 -0.023,622 -0.075,623 -0.106,624 -0.126,625 -0.144,626 -0.225,627 -0.178,628 -0.106,629 -0.211,630 -0.003,631 -0.15,632 -0.081,633 -0.161,634 -0.028,635 -0.134,636 0.129,637 -0.145,638 0.233,640 0.198,641 0.11,642 0.02,643 0.089,644 0.048,645 0.098,646 0.048,647 0.079,648 1.472,649 2.687,650 0.6,651 36.151,652 0.992,653 1.13,654 4.101,655 16.821,656 0.647,657 3.497,658 3.761,659 3.989,660 4.205,661 4.394,662 4.344,663 4.407,664 4.466,665 4.554,666 4.595,667 7.839,668 0.606,669 406.58,670 3.497,671 5.004,672 5.826,673 6.676,674 7.516,675 8.372,676 9.22,677 10.079,678 10.932,679 11.794,680 6.7,684 2,690 2,695 8,696 2,700 8,702 18,711 2,716 2,718 60,719 18,720 2,721 32,723 62,724 24,725 16,726 5,727 7,729 3,730 3,734 2,739 4,741 16,742 8,757 30,758 6,759 4,760 6,764 4,769 1,770 2,776 1,781 3,802 3,806 2,810 30,811 2,816 6,818 2,829 3.3,834 2,836 15.667,837 11.067,838 6.917,839 3.849,840 2.926,841 1.404,842 0.965,843 8.059,844 10.17,845 3.738,846 4.297,847 4.822,848 5.336,849 5.831,850 5.849,851 6.055,852 6.359,853 6.705,854 6.987,855 1,856 44,857 11.053,859 4.468,860 7.611,861 21.391,863 16.877,865 2.111,866 63.333,869 1,870 306.049,871 139.811,872 99.365,874 22,877 139.811,878 328.048,879 99.365,880 17.65,881 19.323,882 132.128,883 45.342,884 54.276,885 4.227,886 294.278,888 306.049,889 239.176,890 22,893 282.506,894 45.542,897 47.92,898 157.685,899 33.571,901 306.049,902 121.365,903 139.811,906 306.049,907 46.779,908 93.032,910 121.365,911 306.049,912 121.365,913 139.811,915 0.561,916 0.33,917 0.181,918 0.099,919 17,920 8,921 0.161,922 10,924 1,925 4.225,926 246.988,928 18,929 135.207,933 22.071,934 10.955,935 6.186,937 121.365,938 15.914,939 8.129,943 6.938,945 65.794,946 567.224,947 41,956 59.549,957 67.81,958 0.246,959 0.58,960 0.769,961 0.824,962 0.838,963 0.849,964 4.938,965 1.476,966 5.778,967 3.734,968 4.443,969 4.984,970 1.586,971 6.529,972 4.36,973 6.118,974 1.406,975 7.298,976 3.552,977 3.892,978 4.691,980 7.322,981 3.78,982 7.403,983 1.087,984 8.918,985 3.124,986 5.974,987 7.135,988 1.285,989 10.402,990 5.824,991 8.724,992 1,993 10.6,994 2.439,995 6.256,996 7.647,998 12.041,999 6.081,1000 10.078,1001 0.614,1002 12.321,1003 2.136,1004 7.774,1005 9.56,1006 1.035,1007 14.629,1008 7.568,1009 11.454,1010 0.396,1011 14.07,1012 1.215,1013 8.465,1014 10.463,1016 16.638,1017 8.236,1018 12.847,1019 0.395,1020 15.84,1021 0.884,1022 9.741,1023 12.134,1024 0.828,1025 19.053,1026 9.486,1027 3.077,1028 0.042,1029 17.626,1030 0.603,1031 10.64,1032 13.25,1034 21.23,1035 10.363,1036 2.857,1037 10.305,1038 19.424,1039 0.078,1040 11.81,1041 14.794,1042 0.656,1043 23.582,1044 11.511,1045 2.522,1046 8.844,1047 21.233,1048 4.114,1049 12.814,1050 16.03,1052 25.836,1053 12.493,1054 2.284,1055 6.965,1056 23.051,1057 3.875,1058 13.94,1059 17.506,1060 0.515,1061 28.166,1062 13.599,1063 2.061,1064 6.733,1065 24.876,1066 3.444,1067 14.994,1068 18.811,1070 30.456,1071 14.632,1072 2.007,1073 6.118,1074 26.707,1075 2.936,1076 16.105,1077 20.25,1078 0.401,1079 32.78,1080 15.723,1081 1.728,1082 5.656,1083 28.544,1084 2.665,1085 17.185,1086 21.595,1088 35.088,1089 16.784,1090 12329,1091 19369,1092 21.266,1093 38.83,1094 45.963,1095 46.626,1096 47.877,1097 45.927,1098 45.903,1099 59.35,1100 4.8,1101 124.771,1102 43.924,1103 5.352,1104 5.346,1105 6.332,1106 5.138,1107 5.077,1108 7.114,1109 1.72,1110 17.226,1111 5.012,1112 14.647,1113 1.436,1114 1.457,1115 1.496,1116 1.435,1117 1.434,1118 1.855,1119 0.15,1120 3.899,1121 1.373,1122 4.023,1123 4.051,1124 3.97,1125 3.953,1126 5.291,1127 3.952,1128 3.889,1129 3.915,1130 3.82,1131 3.812,1132 4.979,1133 3.809,1134 3.832,1135 3.882,1136 3.792,1137 3.674,1138 4.872,1139 3.697,1140 3.58,1141 3.636,1142 3.425,1143 3.409,1144 4.794,1145 3.403,1146 3.478,1147 3.557,1148 3.284,1149 3.342,1150 4.46,1151 3.318,1152 3.358,1153 3.438,1154 3.199,1155 3.197,1156 4.379,1157 3.186,1158 3.145,1159 3.236,1160 2.974,1161 2.908,1162 4.252,1163 2.915,1164 3.055,1165 3.13,1166 2.924,1167 2.788,1168 4.069,1169 2.808,1170 0.138,1171 0.105,1172 0.204,1173 0.127,1174 0.096,1175 4.431,1176 0.129,1177 3.346,1178 0.027,1179 6.53,1180 0.322,1181 4.055,1182 0.094,1183 3.077,1184 4.114,1185 0.86,1186 10.305,1187 3.012,1188 1.982,1189 1.961,1190 2.09,1191 2.074,1192 1.322,1193 2.078,1194 1.874,1195 1.849,1196 2.003,1197 1.981,1198 1.162,1199 1.988,1200 1.762,1201 1.717,1202 1.874,1203 1.948,1204 1.034,1205 1.927,1206 1.568,1207 1.51,1208 1.833,1209 1.771,1210 1.026,1211 1.795,1212 1.513,1213 1.44,1214 1.822,1215 1.702,1216 1.012,1217 1.748,1218 1.363,1219 1.287,1220 1.637,1221 1.573,1222 0.695,1223 1.605,1224 1.089,1225 1.016,1226 1.356,1227 1.393,1228 0.46,1229 1.388,1230 0.96,1231 0.9,1232 1.269,1233 1.31,1234 0.362,1235 1.301,1236 4.174,1238 5.451,1240 6.927,1242 8.498,1244 10.12,1246 4.287,1250 11.614,1252 4.515,1254 11.936,1262 36.364,1263 87.168,1264 205.703,1265 272.497,1266 292.149,1267 296.904,1268 300.904,1269 52.017,1270 7.244,1271 96.28,1272 96.28,1273 18,1274 12.345,1275 4.248,1276 3.322,1277 55.499,1278 138,1279 150,1280 0.19,1281 227.63,1282 391.8,1283 547.176,1284 14230,1286 21.347,1287 0.712,1288 0.591,1289 21.347,1290 17.727,1291 14.601,1292 0.456,1293 0.326,1294 10.307,1295 14.129,1296 10.01,1297 8.381,1298 14.601,1299 10.424,1300 12.371,1301 0.295,1302 0.17,1303 12.371,1304 7.129,1305 10.152,1306 0.192,1307 0.093,1308 10.152,1309 4.923,1310 8.262,1311 0.125,1312 0.051,1313 8.262,1314 3.37,1315 6.618,1316 0.083,1317 0.03,1318 6.618,1319 2.381,1320 0.306,1321 90.862,1322 0.217,1323 29.013,1324 0.501,1325 148,1326 399.386,1327 161.136,1328 388.26,1329 537.78,1330 366,1331 169,1332 400.881,1333 181.638,1334 406.228,1335 589.33,1336 383,1337 5.058}
{0 CHEMBL119,1 1.622,2 10.963,3 2.784,4 7.752,5 107.698,6 7.389,7 0.586,8 4.019,9 4.145,10 3.565,11 3.459,12 5.197,13 3.469,14 4.512,15 4.692,16 3.902,17 3.809,18 5.626,19 3.807,20 4.622,21 4.769,22 4.06,23 3.992,24 5.756,25 3.98,26 4.815,27 4.987,28 4.065,29 4.08,30 5.944,31 4.023,32 5.005,33 5.247,34 3.831,35 4.053,36 5.983,37 3.953,38 4.873,39 5.134,40 3.602,41 3.929,42 5.777,43 3.79,44 4.746,45 5.037,46 3.507,47 3.807,48 5.565,49 3.663,50 4.609,51 4.886,52 3.588,53 3.675,54 5.513,55 3.584,56 0.09,57 0.738,58 10.714,59 4.069,60 12.889,61 5.49,62 0.411,63 1.078,64 20.035,65 6.776,66 33.444,67 9.012,68 0.409,69 1.296,70 20.748,71 7.37,72 22.509,73 10.217,74 0.408,75 1.472,76 25.722,77 9.539,78 34.659,79 13.407,80 0.769,81 1.524,82 35.511,83 9.736,84 66.705,85 14.523,86 0.62,87 1.319,88 31.308,89 9.576,90 53.499,91 14.097,92 0.379,93 1.142,94 27.898,95 8.874,96 40.214,97 13.587,98 0.315,99 0.984,100 24.266,101 7.847,102 33.859,103 11.68,104 46,105 41,106 0.274,107 0.612,108 0.735,109 0.778,110 0.787,111 0.815,112 3.34,113 0.862,114 -3.2,115 -3.19,116 -3.06,119 38,120 1,124 3,125 1,139 4,140 3,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 5,172 3,173 3,175 4,178 7,180 1,181 2,182 5,187 3,189 3,191 1,192 1,193 7,195 1,196 3,197 1,198 8,200 2,201 3,204 5,205 1,207 1,210 1,212 3,215 4,218 3,221 2,224 2,225 1,226 2,228 1,229 6,231 2,234 5,246 12,250 1,251 2,253 1,256 2,260 3,273 1015,274 18.196,275 18.196,276 18.196,277 18.196,278 18.196,279 16.062,280 27.046,281 10.393,282 18.942,283 14.076,284 14.076,285 14.076,286 14.076,287 14.076,288 10.65,289 40.052,290 4.61,291 14.997,292 4.022,293 2.024,294 1.296,295 1.041,296 0.986,297 0.82,298 4.018,300 1,301 1,302 1,303 621,304 3.162,307 237.221,311 125.42,314 1.525,315 25.062,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 59.5,327 296,328 4.654,329 3.375,330 6.835,331 4.193,332 3.212,333 4.616,334 0.86,335 11.231,336 3.154,337 4.42,338 3.311,339 6.523,340 4.004,341 3.061,342 4.104,343 0.86,344 10.257,345 2.881,346 3.91,347 2.768,348 5.804,349 3.513,350 2.555,351 3.412,352 0.86,353 7.875,354 2.448,355 3.565,356 2.555,357 5.289,358 3.199,359 2.255,360 2.883,361 0.657,362 6.728,363 2.123,364 3.452,365 2.475,366 5.19,367 2.984,368 2.061,369 2.859,371 6.118,372 1.928,373 3.372,374 2.184,375 5.095,376 2.972,377 2.038,378 2.694,380 5.902,381 1.867,382 3.355,383 2.049,384 5.006,385 2.918,386 1.97,387 2.604,389 5.788,390 1.858,391 2.707,392 1.952,393 4.248,394 2.332,395 1.365,396 1.778,398 3.553,399 1.316,400 2.246,401 1.628,402 3.809,403 2.008,404 1.17,405 1.23,407 2.537,408 0.976,409 1.968,410 1.097,411 3.31,412 1.72,413 0.786,414 0.901,415 1.744,416 0.729,417 1.576,418 0.924,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.446,426 0.916,427 2.838,428 1.178,429 0.328,430 0.352,431 0.445,432 0.276,433 1.334,434 0.352,435 2.809,436 0.994,437 0.054,438 0.067,439 0.12,440 0.051,441 1.188,442 0.117,443 2.594,444 0.842,445 -0.116,446 -0.142,448 -0.3,449 -0.111,450 0.936,451 0.047,452 2.486,453 0.523,454 -0.398,455 -0.493,457 -0.81,458 -0.362,459 12.5,460 0.463,461 0.695,462 0.026,463 37,464 1.37,465 19,466 0.704,467 18,468 0.667,469 21.096,470 0.781,471 30.1,472 0.602,473 28.901,474 1.07,475 7.707,476 0.285,477 5.27,478 0.195,479 0.224,481 0.4,485 1.032,486 1.362,487 0.832,488 1.159,489 1.194,490 0.972,491 1.262,492 0.794,493 0.764,494 0.708,495 0.813,496 0.666,497 0.9,498 1.272,499 0.91,500 1.1,501 0.854,502 1.01,503 0.7,504 1.484,505 1.033,506 1.48,507 0.628,508 1.355,509 1.41,510 0.973,511 1.297,512 0.982,513 1.409,514 1.096,515 1.058,516 0.83,517 1.184,518 0.991,519 1.05,520 1.097,521 0.647,522 0.83,523 0.837,524 0.907,525 0.748,526 0.903,527 0.696,528 0.85,529 0.605,530 0.854,531 0.532,532 0.739,533 6,534 0.206,535 3.333,536 2.75,537 2.333,538 0.882,539 0.384,540 0.451,541 0.283,542 0.298,543 8309,544 24073,545 1.992,546 46,547 3,548 15,551 5,555 1.7,556 1.82,557 3.389,558 2.547,559 1,560 1,564 81.076,565 1.622,566 3.62,567 4.348,568 4.603,569 4.658,570 4.823,571 2.834,572 4.282,573 4.731,574 3.549,575 1245.77,576 8.205,577 16015.3,579 1,581 1,582 282.193,583 1.541,584 4.659,585 0.207,586 0.009,587 0.081,588 0.059,589 0.053,590 0.027,591 0.015,592 0.018,593 0.01,594 0.011,595 0.49,596 0.17,597 1,598 1.011,599 133.844,600 -0.122,601 -0.104,602 0.033,603 -0.054,604 -0.231,605 0.02,606 -0.074,607 0.285,608 0.2,609 0.325,610 0.117,611 0.307,612 0.069,613 -0.077,614 -0.015,615 -0.026,616 -0.019,617 -0.026,618 0.165,619 -0.37,620 -0.134,621 -0.408,622 0.199,623 -0.349,624 -0.273,625 -0.003,626 -0.292,627 -0.045,628 -0.326,629 -0.153,630 -0.132,631 0.107,632 -0.197,633 -0.024,634 -0.174,635 -0.112,636 0.024,637 0.055,638 0.138,639 0.084,640 0.013,641 0.133,642 0.121,643 0.01,644 0.389,645 0.149,646 0.292,647 0.298,648 1.498,649 2.043,650 0.593,651 22.733,652 1.009,653 1.137,654 1.966,655 3.866,656 0.645,657 3.401,658 3.738,659 4.043,660 4.317,661 4.5,662 4.533,663 4.543,664 4.625,665 4.71,666 4.771,667 6.429,668 0.62,669 369.47,670 3.401,671 4.949,672 5.814,673 6.708,674 7.587,675 8.484,676 9.367,677 10.264,678 11.149,679 12.046,680 10,684 2,685 1,690 2,694 2,695 4,696 2,700 8,702 17,711 2,712 1,716 3,718 50,719 17,720 2,721 29,723 52,724 19,725 14,726 8,727 4,729 3,730 4,734 1,741 14,742 5,754 1,757 23,758 8,759 5,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,802 2,806 4,810 27,811 2,816 1,817 1,818 3,829 6,834 3,836 14.833,837 10.15,838 6.167,839 2.54,840 3.389,841 1.462,842 0.971,843 5.771,844 10.723,845 3.651,846 4.317,847 4.963,848 5.577,849 6.129,850 6.408,851 6.678,852 7.006,853 7.379,854 7.537,855 1,856 47,857 9.879,859 4.039,860 7.765,861 18.61,863 14.512,865 2.265,866 61.167,869 1,870 211.88,871 115.287,872 117.376,874 33,877 115.287,878 244.879,879 117.376,880 41.474,881 2.106,882 103.699,883 51.582,884 62.575,885 4.227,886 211.88,888 211.88,889 232.664,890 33,893 211.88,894 33,897 14.974,898 166.108,899 51.582,901 211.88,902 150.376,903 115.287,906 211.88,907 35.908,908 79.379,909 18.011,910 132.365,911 211.88,912 150.376,913 115.287,915 0.578,916 0.365,917 0.208,918 0.107,919 19,920 10,921 0.115,922 6,923 1,924 1.125,925 3.724,926 228.859,927 0.125,928 16,929 120.382,933 19.324,934 8.064,935 3.817,936 1.544,937 150.376,938 7.6,939 8.304,943 5.18,945 83.805,946 477.543,947 37.5,956 50.443,957 56.857,958 0.287,959 0.641,960 0.77,961 0.816,962 0.825,963 0.855,964 4.892,965 1.365,966 5.82,967 5.788,968 4.419,969 5.004,970 1.841,971 6.673,972 4.309,973 6.132,974 1.17,975 7.412,976 3.553,977 4.111,978 5.007,980 7.67,981 3.978,982 7.471,983 0.786,984 9.101,985 2.537,986 6.057,987 7.323,988 1.538,989 10.778,990 5.873,991 8.849,992 0.396,993 10.846,994 1.744,995 6.538,996 8.113,998 12.575,999 6.331,1000 10.256,1001 0.328,1002 12.627,1003 0.603,1004 7.978,1005 9.943,1006 1.278,1007 15.224,1008 7.736,1009 11.684,1010 0.054,1011 14.433,1012 0.445,1013 8.823,1014 11.105,1016 17.364,1017 8.558,1018 13.129,1019 -0.116,1020 16.257,1021 0.12,1022 10.074,1023 12.745,1024 1.053,1025 19.854,1026 9.781,1027 3.212,1028 -0.398,1029 18.097,1030 -0.3,1031 11.087,1032 14.09,1034 22.142,1035 10.771,1036 3.061,1037 11.231,1038 19.949,1039 -0.81,1040 12.268,1041 15.651,1042 0.858,1043 24.574,1044 11.928,1045 2.555,1046 10.257,1047 21.811,1048 4.616,1049 13.357,1050 17.085,1052 26.925,1053 12.994,1054 2.255,1055 7.875,1056 23.68,1057 4.104,1058 14.514,1059 18.615,1060 0.691,1061 29.335,1062 14.129,1063 2.061,1064 6.728,1065 25.557,1066 3.412,1067 15.636,1068 20.091,1070 31.714,1071 15.229,1072 2.038,1073 6.118,1074 27.439,1075 2.883,1076 16.786,1077 21.611,1078 0.549,1079 34.118,1080 16.359,1081 1.97,1082 5.902,1083 29.326,1084 2.859,1085 17.924,1086 23.108,1088 36.51,1089 17.476,1090 8238,1091 14132,1092 18.611,1093 32.245,1094 42.386,1095 43.89,1096 45.749,1097 42.362,1098 42.501,1099 55.903,1100 6.475,1101 125.8,1102 39.896,1103 5.49,1104 5.375,1105 6.378,1106 5.265,1107 5.212,1108 7.616,1109 1.72,1110 18.467,1111 5.154,1112 16.525,1113 1.462,1114 1.513,1115 1.578,1116 1.461,1117 1.466,1118 1.928,1119 0.223,1120 4.338,1121 1.376,1122 4.091,1123 4.123,1124 4.06,1125 4.008,1126 5.306,1127 4.016,1128 3.929,1129 3.942,1130 3.895,1131 3.822,1132 4.984,1133 3.836,1134 3.557,1135 3.622,1136 3.489,1137 3.364,1138 4.978,1139 3.389,1140 3.305,1141 3.375,1142 3.181,1143 3.065,1144 4.689,1145 3.065,1146 3.303,1147 3.355,1148 3.144,1149 3.04,1150 4.58,1151 3.055,1152 3.218,1153 3.299,1154 3.085,1155 3.006,1156 4.471,1157 3.026,1158 3.206,1159 3.285,1160 2.982,1161 2.9,1162 4.335,1163 2.901,1164 3.068,1165 3.167,1166 2.875,1167 2.836,1168 4.148,1169 2.83,1170 0.16,1171 0.116,1172 0.236,1173 0.145,1174 0.111,1175 4.654,1176 0.159,1177 3.375,1178 0.03,1179 6.835,1180 0.387,1181 4.193,1182 0.109,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.154,1188 2.038,1189 2.013,1190 2.106,1191 2.141,1192 1.287,1193 2.13,1194 1.867,1195 1.855,1196 1.943,1197 2.003,1198 1.069,1199 1.982,1200 1.482,1201 1.422,1202 1.639,1203 1.719,1204 0.744,1205 1.702,1206 1.239,1207 1.164,1208 1.59,1209 1.558,1210 0.62,1211 1.565,1212 1.227,1213 1.163,1214 1.575,1215 1.537,1216 0.584,1217 1.546,1218 1.214,1219 1.147,1220 1.565,1221 1.498,1222 0.572,1223 1.519,1224 1.163,1225 1.075,1226 1.515,1227 1.434,1228 0.556,1229 1.463,1230 1.055,1231 0.96,1232 1.361,1233 1.343,1234 0.328,1235 1.348,1236 4.078,1238 5.407,1240 6.95,1242 8.597,1244 10.298,1246 6.738,1250 11.721,1252 0.574,1253 3.376,1254 16.13,1262 30.993,1263 81.076,1264 181.016,1265 217.399,1266 230.154,1267 232.909,1268 241.173,1269 42.897,1270 7.334,1271 117.54,1272 117.54,1273 18,1274 12.572,1275 4.17,1276 3.248,1277 47.089,1278 107,1279 93,1280 0.221,1281 193.386,1282 327.73,1283 463.621,1284 14587,1286 19.552,1287 0.724,1288 0.585,1289 19.552,1290 15.79,1291 12.977,1292 0.447,1293 0.287,1294 8.137,1295 12.253,1296 7.804,1297 6.575,1298 12.977,1299 8.331,1300 11.411,1301 0.278,1302 0.146,1303 11.411,1304 5.978,1305 9.889,1306 0.177,1307 0.079,1308 9.889,1309 4.429,1310 8.675,1311 0.117,1312 0.041,1313 8.675,1314 3.057,1315 6.547,1316 0.074,1317 0.022,1318 6.547,1319 1.958,1320 0.347,1321 83.057,1322 0.232,1323 25.796,1324 0.604,1325 140,1326 443.454,1327 156.74,1328 420.847,1329 579.62,1330 396,1331 167,1332 429.65,1333 184.017,1334 439.166,1335 639.31,1336 407,1337 8.31}
{0 CHEMBL119161,1 1.752,2 15.5,3 1.326,4 1.758,5 119.522,6 8.5,7 0.472,8 4.128,9 4.229,10 3.758,11 3.597,12 5.462,13 3.633,14 4.595,15 4.72,16 4.133,17 3.965,18 6.073,19 3.975,20 4.869,21 5.032,22 4.196,23 4.098,24 6.194,25 4.098,26 4.963,27 5.138,28 4.14,29 4.046,30 6.318,31 4.05,32 4.892,33 5.071,34 4.088,35 3.97,36 6.366,37 3.971,38 4.815,39 5,40 4.029,41 3.913,42 6.378,43 3.899,44 4.727,45 4.907,46 3.937,47 3.842,48 6.275,49 3.82,50 4.575,51 4.758,52 3.803,53 3.75,54 5.958,55 3.722,56 0.293,57 0.81,58 9.003,59 4.459,60 47.721,61 4.843,62 0.714,63 1.222,64 16.211,65 7.645,66 106.305,67 8.999,68 0.86,69 1.477,70 24.461,71 9.179,72 127,73 11.133,74 1.185,75 1.465,76 30.074,77 9.669,78 184.361,79 11.276,80 1.226,81 1.339,82 28.474,83 8.984,84 201.443,85 10.875,86 1.201,87 1.223,88 26.593,89 8.87,90 199.694,91 11.182,92 1.135,93 1.098,94 24.948,95 8.745,96 184.805,97 10.913,98 0.721,99 1.01,100 20.107,101 7.491,102 110.583,103 9.457,104 74,105 50,106 0.286,107 0.676,108 0.803,109 0.874,110 0.891,111 0.891,112 3.56,113 0.832,114 -3.5,115 -3.48,116 -3.32,119 40,121 2,125 1,127 1,139 7,140 4,143 1,144 1,147 1,153 4,157 2,158 2,159 2,161 2,165 2,166 11,167 1,169 2,170 8,172 3,173 6,175 4,176 1,178 10,179 2,180 1,182 13,185 1,186 1,187 6,189 5,190 1,191 1,193 14,194 1,195 1,196 1,197 1,198 7,199 1,200 2,201 2,202 1,203 1,204 4,205 1,206 1,207 8,208 2,210 2,211 1,212 5,213 2,215 7,216 2,218 3,220 3,221 4,222 1,223 1,224 3,225 1,226 3,229 12,230 3,231 1,233 3,234 3,237 3,239 3,241 12,242 3,245 2,246 5,248 2,249 2,251 4,254 7,255 2,256 1,260 9,261 2,265 5,268 2,269 1,270 2,273 2216,274 22.085,275 22.085,276 22.085,277 22.085,278 22.085,279 19.451,280 22.561,281 12.89,282 22.4,283 17.711,284 17.711,285 17.711,286 17.711,287 17.711,288 13.587,289 23.394,290 6.113,291 18.184,292 4.029,293 1.647,294 0.866,295 0.436,296 0.327,297 0.327,298 4.237,301 1,303 1096,304 4.848,307 352.547,311 189.234,314 2.529,315 63.16,318 0.5,319 0.33,320 0.5,321 0.4,323 0.5,324 0.5,325 0.39,326 77.5,327 527,328 4.541,329 3.777,330 6.502,331 4.048,332 3.079,333 4.491,334 2.375,335 10.175,336 2.989,337 4.259,338 3.666,339 6.138,340 3.914,341 2.918,342 3.845,343 2.341,344 8.955,345 2.901,346 4.019,347 3.592,348 6.002,349 3.748,350 2.762,351 3.348,352 1.727,353 8.491,354 2.709,355 3.826,356 3.517,357 5.808,358 3.548,359 2.549,360 3.226,361 1.061,362 7.802,363 2.534,364 3.759,365 3.129,366 5.311,367 3.361,368 2.391,369 3.014,370 0.636,371 6.876,372 2.315,373 3.524,374 2.671,375 5.062,376 3.178,377 2.172,378 2.811,379 0.14,380 5.803,381 2.155,382 3.429,383 2.295,384 4.971,385 2.976,386 2.045,387 2.7,389 5.757,390 1.899,391 3.377,392 2.192,393 4.645,394 2.913,395 1.965,396 2.687,398 5.121,399 1.857,400 3.114,401 2.125,402 4.36,403 2.642,404 1.648,405 2.24,407 4.216,408 1.617,409 2.693,410 2.051,411 4.049,412 2.285,413 1.306,414 1.676,415 3.368,416 1.256,417 2.5,418 1.674,419 3.71,420 2.076,421 1.072,422 1.5,423 2.565,424 1.059,425 2.46,426 1.445,427 3.607,428 2,429 1.006,430 1.433,431 2.563,432 1,433 2.45,434 1.104,435 3.414,436 1.981,437 1,438 1.334,439 2.275,440 0.979,441 1.856,442 1.057,443 3.122,444 1.506,445 0.55,446 0.674,448 1.296,449 0.517,450 1.57,451 1,452 2.826,453 1.338,454 0.334,455 0.38,457 0.754,458 0.329,459 15.333,460 0.451,461 1.038,462 0.031,463 45,464 1.324,465 23,466 0.676,467 22,468 0.647,469 26.065,470 0.767,471 37.467,472 0.681,473 40.952,474 1.204,475 9.359,476 0.275,477 6.775,478 0.199,479 0.183,481 0.391,485 0.88,486 1.175,487 0.748,488 0.97,489 0.788,490 0.828,491 0.505,492 1.059,493 0.72,494 1.08,495 0.443,496 1,497 0.949,498 1.186,499 0.988,500 1.123,501 0.912,502 1.075,503 1.332,504 1.042,505 1.18,506 1.042,507 1.248,508 1.061,509 1.15,510 0.973,511 1.097,512 0.993,513 1.134,514 1.018,515 0.825,516 0.834,517 0.956,518 0.986,519 0.866,520 1.004,521 0.828,522 0.872,523 0.893,524 0.975,525 0.854,526 0.979,527 0.805,528 0.979,529 0.912,530 1.084,531 0.867,532 1.059,533 8.5,534 0.161,535 4.444,536 2.188,537 2.2,538 1.292,539 0.69,540 0.479,541 0.447,542 0.339,543 18116,544 68314,545 1.96,546 38.2,548 10,551 7,552 2,553 2,555 1.754,556 1.789,557 3.87,558 4.052,560 1,564 96.367,565 1.752,566 4.135,567 4.915,568 5.345,569 5.454,570 5.454,571 3.329,572 4.572,573 5.059,574 4.094,575 2296.85,576 8.837,577 37883.3,582 317.975,583 1.549,584 4.989,585 0.236,586 0.005,587 0.089,588 0.042,589 0.047,590 0.029,591 0.017,592 0.013,593 0.013,594 0.011,595 0.502,596 0.17,597 0.75,598 1.629,599 187.359,600 -0.173,601 0.047,602 -0.036,603 0.106,604 -0.151,605 0.097,606 0.245,607 0.079,608 0.073,609 -0.013,610 0.202,611 -0.034,612 -0.115,613 -0.128,614 -0.098,615 -0.107,616 -0.107,617 -0.097,618 -0.275,619 -0.073,620 -0.192,621 -0.068,622 -0.224,623 -0.097,624 -0.095,625 -0.012,626 -0.097,627 -0.019,628 -0.069,629 -0.045,630 0.168,631 0.112,632 0.047,633 0.013,634 0.15,635 0.004,636 0.192,637 0.023,638 0.122,639 0.064,640 0.172,641 0.064,642 0.055,643 -0.016,644 0.048,645 -0.043,646 0.003,647 -0.017,648 3.014,649 5.368,650 0.471,651 43.55,652 1.034,653 1.132,654 2.274,655 5.171,656 0.66,657 3.611,658 3.932,659 4.127,660 4.317,661 4.543,662 4.585,663 4.615,664 4.625,665 4.762,666 4.762,667 9.031,668 0.66,669 467.48,670 3.611,671 5.153,672 5.979,673 6.843,674 7.688,675 8.554,676 9.407,677 10.273,678 11.132,679 11.999,680 9.1,684 2,687 1,690 2,694 2,695 7,696 2,700 5,702 17,707 1,710 1,711 2,718 55,719 21,720 2,721 36,723 57,724 22,725 14,726 5,727 7,728 2,729 3,730 4,739 3,741 18,742 4,744 4,748 4,751 4,754 1,757 21,758 12,759 7,760 12,764 5,769 0.667,770 7,776 1,781 3,785 1,792 2,800 2,802 2,810 34,811 2,815 2,816 3,817 1,818 1,820 1,829 12.7,831 2,832 4,834 1,836 19,837 9.467,838 7.472,839 2.904,840 3.451,841 1.449,842 0.927,843 7.995,844 11.142,845 3.902,846 4.489,847 5.002,848 5.536,849 6.108,850 6.375,851 6.696,852 6.896,853 7.271,854 7.269,855 1,856 52,857 12.633,859 5.547,860 8.387,861 22.436,863 17.846,865 2.887,866 98.167,870 164.795,871 108.212,872 117.376,874 196.946,877 108.212,878 361.742,879 117.376,881 27.672,882 132.128,883 233.233,884 25.274,885 4.227,886 164.795,888 164.795,889 225.588,890 196.946,893 141.253,894 220.488,897 31.715,898 160.301,899 33.571,901 164.795,902 314.322,903 108.212,906 164.795,907 41.878,908 66.334,909 18.011,910 296.312,911 164.795,912 314.322,913 108.212,915 0.587,916 0.326,917 0.161,918 0.092,919 21,920 12,921 0.175,922 10,923 1,924 1.125,925 4.466,926 293.636,927 0.125,928 16,929 168.974,933 24.893,934 10.919,935 6.64,936 1.128,937 314.322,938 10.465,939 7.975,943 1.187,945 169.172,946 587.33,947 48.5,951 46.53,954 -3.874,956 56.869,957 62.279,958 0.303,959 0.715,960 0.85,961 0.925,962 0.943,963 0.943,964 5.137,965 1.965,966 5.979,967 5.757,968 4.615,969 5.176,970 3.321,971 6.758,972 4.566,973 6.357,974 1.648,975 7.531,976 5.121,977 4.29,978 5.094,979 2.882,980 7.612,981 4.231,982 7.667,983 1.306,984 9.177,985 4.216,986 6.192,987 7.365,988 4.582,989 10.646,990 6.101,991 9.006,992 1.072,993 10.876,994 3.368,995 6.608,996 8.046,997 4.828,998 12.275,999 6.511,1000 10.372,1001 1.006,1002 12.608,1003 2.565,1004 8.028,1005 9.862,1006 6.077,1007 14.839,1008 7.902,1009 11.758,1010 1,1011 14.362,1012 2.563,1013 8.783,1014 10.919,1015 6.631,1016 16.811,1017 8.649,1018 13.159,1019 0.55,1020 16.133,1021 2.275,1022 10.008,1023 12.549,1024 7.68,1025 19.201,1026 9.848,1027 3.079,1028 0.334,1029 17.916,1030 1.296,1031 10.932,1032 13.812,1033 8.385,1034 21.336,1035 10.757,1036 2.918,1037 10.175,1038 19.71,1039 0.754,1040 12.074,1041 15.358,1042 9.337,1043 23.659,1044 11.876,1045 2.762,1046 8.955,1047 21.512,1048 4.491,1049 13.082,1050 16.732,1051 10.118,1052 25.874,1053 12.865,1054 2.549,1055 8.491,1056 23.32,1057 3.845,1058 14.191,1059 18.244,1060 11.023,1061 28.175,1062 13.951,1063 2.391,1064 7.802,1065 25.135,1066 3.348,1067 15.242,1068 19.677,1069 11.843,1070 30.431,1071 14.981,1072 2.172,1073 6.876,1074 26.954,1075 3.226,1076 16.34,1077 21.175,1078 12.724,1079 32.728,1080 16.055,1081 2.045,1082 5.803,1083 28.778,1084 3.014,1085 17.414,1086 22.638,1087 13.563,1088 35.006,1089 17.105,1090 17855,1091 34785,1092 22.887,1093 36.301,1094 54.335,1095 56.863,1096 55.72,1097 53.693,1098 53.594,1099 70.716,1100 16.561,1101 152.036,1102 52.232,1103 5.453,1104 5.777,1105 5.916,1106 5.12,1107 5.079,1108 7.491,1109 4.103,1110 17.069,1111 4.989,1112 22.961,1113 1.509,1114 1.58,1115 1.548,1116 1.491,1117 1.489,1118 1.964,1119 0.46,1120 4.223,1121 1.451,1122 4.073,1123 4.105,1124 4.041,1125 3.983,1126 7.478,1127 3.992,1128 3.952,1129 3.973,1130 3.907,1131 3.876,1132 7.471,1133 3.878,1134 3.762,1135 3.795,1136 3.679,1137 3.589,1138 7.433,1139 3.601,1140 3.557,1141 3.603,1142 3.498,1143 3.352,1144 7.428,1145 3.382,1146 3.466,1147 3.48,1148 3.407,1149 3.213,1150 6.352,1151 3.256,1152 3.336,1153 3.332,1154 3.302,1155 3.08,1156 6.35,1157 3.131,1158 3.143,1159 3.237,1160 3.058,1161 2.937,1162 5.307,1163 2.949,1164 3.117,1165 3.159,1166 3.017,1167 2.82,1168 4.982,1169 2.859,1170 0.126,1171 0.105,1172 0.181,1173 0.112,1174 0.086,1175 4.541,1176 0.125,1177 3.777,1178 0.066,1179 6.502,1180 0.283,1181 4.048,1182 0.083,1183 3.079,1184 4.491,1185 2.375,1186 10.175,1187 2.989,1188 2.017,1189 1.992,1190 2.083,1191 2.127,1192 1.222,1193 2.114,1194 1.92,1195 1.901,1196 2.013,1197 2.021,1198 1.219,1199 2.016,1200 1.703,1201 1.663,1202 1.897,1203 1.9,1204 1.095,1205 1.895,1206 1.465,1207 1.42,1208 1.603,1209 1.706,1210 0.7,1211 1.68,1212 1.326,1213 1.305,1214 1.478,1215 1.621,1216 0.586,1217 1.572,1218 1.181,1219 1.177,1220 1.359,1221 1.47,1222 0.338,1223 1.418,1224 1.068,1225 1.014,1226 1.29,1227 1.386,1228 0.266,1229 1.371,1230 0.995,1231 0.922,1232 1.203,1233 1.317,1234 0.218,1235 1.276,1236 4.29,1238 5.609,1240 7.106,1242 8.686,1244 10.314,1250 11.43,1251 17.847,1252 -0.724,1253 2.26,1254 5.298,1256 -1.355,1262 36.325,1263 96.367,1264 227.411,1265 270.323,1266 293.975,1267 299.975,1268 299.975,1269 110.211,1270 7.69,1271 207.82,1272 207.82,1273 18,1274 12.546,1275 4.459,1276 3.755,1277 67.896,1278 187,1279 162,1280 0.174,1281 226.438,1282 404.23,1283 544.269,1284 25880,1286 24.828,1287 0.73,1288 0.521,1289 24.828,1290 17.725,1291 16.134,1292 0.448,1293 0.277,1294 9.794,1295 15.322,1296 9.656,1297 7.961,1298 16.134,1299 9.98,1300 15.075,1301 0.301,1302 0.145,1303 15.075,1304 7.269,1305 11.555,1306 0.189,1307 0.079,1308 11.555,1309 4.81,1310 8.991,1311 0.122,1312 0.041,1313 8.991,1314 3.064,1315 7.234,1316 0.078,1317 0.022,1318 7.234,1319 2.015,1320 0.286,1321 102.978,1322 0.209,1323 32.291,1324 0.447,1325 172,1326 661.225,1327 197.375,1328 625.488,1329 811.79,1330 574,1331 197,1332 564.356,1333 218.559,1334 565.468,1335 819.11,1336 529,1337 6.824}
{0 CHEMBL120366,1 1.856,2 8.474,3 2.733,4 7.468,5 93.399,6 15.551,7 0.6,8 3.542,9 3.661,10 3.758,11 3.248,12 4.756,13 3.137,14 3.988,15 4.144,16 4.269,17 3.666,18 5.177,19 3.494,20 4.127,21 4.265,22 4.613,23 3.841,24 5.283,25 3.629,26 4.232,27 4.437,28 5.288,29 4.012,30 5.332,31 3.614,32 4.178,33 4.396,34 3.947,35 3.779,36 5.174,37 3.392,38 3.946,39 4.192,40 4.091,41 3.439,42 4.973,43 3.18,44 3.73,45 3.929,46 4.494,47 3.341,48 4.894,49 3.067,50 3.526,51 3.733,52 3.605,53 3.08,54 4.69,55 2.731,56 0.061,57 0.478,58 10.063,59 2.391,60 10.343,61 2.528,62 0.213,63 0.729,64 26.166,65 5.175,66 20.814,67 5.207,68 0.096,69 0.86,70 44.268,71 8.207,72 14.715,73 5.869,74 0.237,75 0.937,76 124.098,77 12.263,78 30.674,79 7.971,80 0.126,81 0.885,82 161.566,83 16.947,84 23.086,85 10.424,86 0.2,87 0.661,88 34.495,89 6.28,90 23.766,91 5.513,92 0.06,93 0.606,94 46.786,95 7.706,96 12.402,97 4.754,98 0.222,99 0.422,100 63.082,101 7.329,102 19.252,103 4.747,104 27,105 28,106 0.354,107 0.721,108 0.804,109 0.829,110 0.829,111 0.829,112 3.01,113 1.133,114 -4.53,115 -4.45,116 -4.19,119 38.7,121 1,124 1,139 2,140 2,141 3,142 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 2,172 3,173 3,175 1,178 6,180 1,182 6,187 1,189 4,191 1,193 3,195 1,196 1,197 1,198 2,200 2,201 5,204 2,205 1,207 5,212 3,215 2,218 3,221 1,226 1,231 1,234 4,239 4,243 4,245 2,248 1,249 1,265 2,270 2,273 400,274 12.386,275 12.386,276 12.386,277 12.386,278 12.386,279 10.728,280 17.051,281 7.121,282 13.105,283 9.766,284 9.766,285 9.766,286 9.766,287 9.766,288 7.311,289 22.643,290 3.274,291 11.019,292 3.098,293 1.173,294 0.734,295 0.605,296 0.605,297 0.605,298 3.66,302 1,303 329,304 2.345,307 127.775,314 1.186,315 15.02,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 39.8,327 161,328 4.399,329 3.394,330 6.42,331 3.941,332 3.033,333 4.087,334 0.86,335 9.78,336 2.81,337 4.224,338 3.076,339 6.086,340 3.781,341 2.849,342 3.873,343 0.68,344 8.828,345 2.535,346 3.594,347 2.537,348 5.28,349 3.216,350 2.273,351 2.928,353 6.702,354 2.09,355 3.36,356 2.461,357 4.921,358 2.937,359 1.998,360 2.66,362 5.65,363 1.861,364 3.232,365 2.18,366 4.879,367 2.639,368 1.879,369 2.481,371 5.225,372 1.32,373 2.823,374 1.82,375 4.141,376 2.352,377 1.421,378 1.952,380 3.67,381 1.135,382 2.05,383 1.526,384 3.501,385 1.724,386 0.952,387 1.016,389 1.966,390 0.614,391 1.57,392 0.627,393 2.915,394 1.257,395 0.337,396 0.401,398 0.763,399 0.294,400 1,401 0.514,402 2.653,403 0.653,404 -0.213,405 -0.242,407 -0.353,408 -0.075,409 1,410 0.093,411 2.359,412 0.403,413 -0.347,414 -0.445,415 -0.898,416 -0.084,417 0.799,418 -0.133,419 2.326,420 0.393,421 -0.513,422 -0.619,423 -1.242,424 -0.328,425 0.616,426 -0.314,427 2,428 0.22,429 -0.56,430 -0.643,431 -1.393,432 -0.466,433 0.135,434 -0.738,435 1.468,436 -0.268,437 -1.111,438 -1.363,439 -2.902,440 -0.854,441 -0.044,442 -1.016,443 1.417,444 -0.542,445 -1.341,446 -1.701,448 -3.661,449 -1.051,450 -0.232,451 -1.264,452 1.36,453 -0.654,454 -1.525,455 -1.893,457 -4.044,458 -1.169,459 11.219,460 0.59,461 0.579,462 0.03,463 25.5,464 1.342,465 13.5,466 0.711,467 12,468 0.632,469 17.798,470 0.937,471 18.781,472 0.606,473 12.74,474 0.671,475 4.567,476 0.24,477 4.44,478 0.234,479 0.409,481 0.312,485 1.108,486 0.99,487 0.479,488 0.477,489 1.313,490 0.619,491 0.984,492 0.59,493 0.591,494 0.52,495 0.609,496 0.573,497 1.042,498 1.193,499 1.043,500 1.085,501 0.886,502 1.053,503 0.923,504 0.751,505 0.686,506 0.627,507 0.958,508 0.841,509 0.656,510 1.282,511 1.849,512 1.855,513 0.96,514 1.657,515 1.214,516 0.768,517 0.611,518 0.529,519 1.255,520 0.619,521 0.806,522 1.667,523 1.499,524 1.629,525 0.667,526 1.186,527 0.812,528 0.924,529 1.559,530 1.48,531 0.943,532 1.266,533 5,534 0.029,535 2.444,536 1.813,537 1.218,538 0.41,539 0.507,540 0.264,541 0.164,542 0.061,543 2944,544 11746,545 1.935,546 38.7,547 2,548 5,550 1,551 4,555 1.602,556 1.754,557 3.045,558 2.09,560 1,563 2,564 57.541,565 1.856,566 3.781,567 4.22,568 4.349,569 4.349,570 4.349,571 2.445,572 3.932,573 4.221,574 3.15,575 538.643,576 7.186,577 5259.95,582 153.58,583 1.568,584 4.14,585 0.25,586 0.014,587 0.087,588 0.063,589 0.051,590 0.024,591 0.03,592 0.016,593 0.016,594 0.009,595 0.561,596 0.17,597 0.88,598 0.954,599 82.196,600 -0.193,601 0.045,602 -0.005,603 0.036,604 -0.326,605 0.058,606 0.105,607 0.38,608 0.013,609 0.127,610 0.217,611 0.222,612 -0.136,613 -0.171,614 -0.062,615 -0.136,616 -0.109,617 -0.173,618 -0.092,619 0.225,620 0.221,621 0.287,622 -0.031,623 0.106,624 -0.046,625 -0.298,626 -0.297,627 -0.399,628 -0.153,629 -0.47,630 -0.188,631 0.163,632 0.04,633 0.191,634 -0.197,635 0.294,636 0.106,637 -0.664,638 -0.051,639 -0.263,640 0.302,641 -0.066,642 0.516,643 0.034,644 -0.192,645 -0.158,646 0.205,647 -0.153,648 1.472,649 1.842,650 0.632,651 12.687,652 1.009,653 1.12,654 3.298,655 10.876,656 0.826,657 3.045,658 3.367,659 3.584,660 3.784,661 3.892,662 3.892,663 3.829,664 3.871,665 3.892,666 3.664,667 4.912,668 0.712,669 482.08,670 3.045,671 4.575,672 5.407,673 6.279,674 7.124,675 7.997,676 8.847,677 9.72,678 10.572,679 11.445,680 12.9,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,717 2,718 31,719 12,720 1,721 20,723 32,724 12,725 10,726 4,727 2,729 2,730 2,739 1,741 10,742 2,757 12,758 5,759 4,760 7,761 2,762 2,764 4,769 1,770 1,776 1,781 2,802 2,806 1,809 2,810 19,811 2,816 1,818 1,828 2,829 3.2,834 1,836 10.833,837 5.769,838 4.25,839 1.517,840 2.254,841 1.365,842 1.008,843 5.068,844 8.423,845 3.296,846 3.932,847 4.46,848 4.977,849 5.45,850 5.558,851 5.654,852 6.037,853 6.377,854 6.561,855 0.833,856 29,857 6.937,859 2.791,860 7.758,861 13.13,863 10.184,865 2.258,866 42.907,867 0.001,870 94.169,871 174.142,872 99.365,874 11,876 113.564,877 60.578,878 105.169,879 99.365,880 10.883,881 2.535,882 84.747,883 45.342,884 34.981,885 4.227,886 195.962,888 94.169,889 159.944,890 11,892 113.564,893 94.169,894 11,897 13.481,898 112.892,899 33.571,900 113.564,901 94.169,902 110.365,903 60.578,904 113.564,906 94.169,907 21.695,908 152.447,910 110.365,911 94.169,912 110.365,913 60.578,914 113.564,915 0.586,916 0.347,917 0.181,918 0.084,919 13,920 7,921 0.094,922 3,924 1,925 3.03,926 133.558,928 12,929 74.711,933 15.046,934 6.4,935 3.6,937 110.365,938 5.802,939 7.937,943 5.648,945 65.794,946 378.677,947 26,956 31.291,957 34.72,958 0.375,959 0.763,960 0.852,961 0.878,962 0.878,963 0.878,964 4.522,965 0.337,966 5.416,967 1.966,968 4.043,969 4.615,970 1.225,971 6.217,972 3.816,973 5.757,974 -0.213,975 6.982,976 0.763,977 3.761,978 4.559,980 7.096,981 3.341,982 7.08,983 -0.347,984 8.641,985 -0.353,986 5.638,987 6.842,988 0.925,989 10.145,990 5.268,991 8.434,992 -0.513,993 10.351,994 -0.898,995 6.089,996 7.499,998 11.774,999 5.533,1000 9.813,1001 -0.56,1002 12.092,1003 -1.242,1004 7.497,1005 9.321,1006 0.697,1007 14.358,1008 6.973,1009 11.209,1010 -1.111,1011 13.855,1012 -1.393,1013 8.288,1014 10.321,1016 16.319,1017 7.595,1018 12.618,1019 -1.341,1020 15.633,1021 -2.902,1022 9.508,1023 11.938,1024 0.525,1025 18.722,1026 8.815,1027 3.033,1028 -1.525,1029 17.424,1030 -3.661,1031 10.46,1032 13.117,1034 20.839,1035 9.622,1036 2.849,1037 9.78,1038 19.224,1039 -4.044,1040 11.603,1041 14.631,1042 0.395,1043 23.164,1044 10.736,1045 2.273,1046 8.828,1047 21.033,1048 4.087,1049 12.629,1050 15.906,1052 25.355,1053 11.643,1054 1.998,1055 6.702,1056 22.848,1057 3.873,1058 13.741,1059 17.365,1060 0.298,1061 27.646,1062 12.706,1063 1.879,1064 5.65,1065 24.668,1066 2.928,1067 14.802,1068 18.692,1070 29.874,1071 13.665,1072 1.421,1073 5.225,1074 26.493,1075 2.66,1076 15.901,1077 20.122,1078 0.224,1079 32.15,1080 14.704,1081 0.952,1082 3.67,1083 28.322,1084 2.481,1085 16.98,1086 21.479,1088 34.397,1089 15.692,1090 3055,1091 6191,1092 12.542,1093 25.603,1094 29.706,1095 30.456,1096 31.49,1097 29.935,1098 29.482,1099 38.795,1100 3.08,1101 85.165,1102 25.317,1103 5.165,1104 5.394,1105 5.926,1106 5.011,1107 5.033,1108 7.087,1109 1.72,1110 16.614,1111 4.81,1112 11.626,1113 1.485,1114 1.523,1115 1.574,1116 1.497,1117 1.474,1118 1.94,1119 0.154,1120 4.258,1121 1.266,1122 3.974,1123 4.004,1124 10.699,1125 4.125,1126 5.291,1127 3.929,1128 3.8,1129 3.837,1130 10.692,1131 3.71,1132 4.979,1133 3.687,1134 3.305,1135 3.365,1136 3.882,1137 3.646,1138 4.82,1139 3.102,1140 3.131,1141 3.232,1142 3.669,1143 3.223,1144 4.463,1145 2.92,1146 2.977,1147 3.096,1148 3.157,1149 2.942,1150 4.337,1151 2.875,1152 2.863,1153 2.89,1154 2.958,1155 2.792,1156 3.748,1157 2.698,1158 2.781,1159 2.881,1160 2.784,1161 2.595,1162 3.671,1163 2.575,1164 2.393,1165 2.485,1166 2.533,1167 2.369,1168 3.641,1169 2.137,1170 0.22,1171 0.17,1172 0.321,1173 0.197,1174 0.152,1175 4.399,1176 0.204,1177 3.394,1178 0.043,1179 6.42,1180 0.489,1181 3.941,1182 0.14,1183 3.033,1184 4.087,1185 0.86,1186 9.78,1187 2.81,1188 1.934,1189 1.917,1190 1.983,1191 2.024,1192 1.223,1193 2.021,1194 1.728,1195 1.69,1196 1.768,1197 1.868,1198 0.884,1199 1.864,1200 1.238,1201 1.177,1202 1.573,1203 1.537,1204 0.573,1205 1.548,1206 1.085,1207 0.996,1208 1.331,1209 1.388,1210 0.378,1211 1.386,1212 0.89,1213 0.857,1214 1.214,1215 1.251,1216 0.173,1217 1.266,1218 0.877,1219 0.774,1220 1.05,1221 1.027,1223 1.055,1224 0.741,1225 0.649,1226 0.963,1227 0.894,1229 0.975,1230 0.393,1231 0.292,1232 0.632,1233 0.622,1235 0.657,1236 3.714,1238 5.03,1240 6.544,1242 8.15,1244 9.8,1246 1.672,1249 4.512,1250 11.328,1252 0.669,1254 5.34,1262 22.068,1263 57.541,1264 117.216,1265 130.825,1266 134.825,1267 134.825,1268 134.825,1269 26.704,1270 6.17,1271 87.05,1272 87.05,1273 12,1274 11.99,1275 3.7,1276 2.807,1277 33.693,1278 56,1279 52,1280 0.307,1281 159.87,1282 257.15,1283 381.844,1284 3050,1285 6.5,1286 13.991,1287 0.736,1288 0.761,1289 16.991,1290 14.467,1291 9.007,1292 0.45,1293 0.378,1294 5.438,1295 7.32,1296 5.139,1297 4.275,1298 10.739,1299 7.555,1300 8.255,1301 0.295,1302 0.223,1303 10.48,1304 6.233,1305 6.589,1306 0.188,1307 0.119,1308 8.58,1309 4.176,1310 5.562,1311 0.129,1312 0.094,1313 8.688,1314 4.037,1315 3.608,1316 0.075,1317 0.033,1318 4.421,1319 1.571,1320 0.47,1321 83.734,1322 0.282,1323 18.879,1324 0.866,1325 96,1326 298.947,1327 402.747,1328 374.96,1329 485.17,1330 346,1331 111,1332 295.136,1333 240.802,1334 332.976,1335 482.05,1336 309,1337 4.796}
{0 CHEMBL120368,1 1.293,2 16.719,3 8.44,4 71.225,5 138.549,6 5.799,7 0.364,8 4.352,9 4.508,10 3.674,11 3.847,12 5.273,13 3.768,14 4.93,15 5.159,16 3.941,17 4.226,18 5.751,19 4.094,20 5.204,21 5.479,22 4.024,23 4.367,24 5.939,25 4.213,26 5.255,27 5.525,28 4.006,29 4.398,30 6.031,31 4.236,32 5.282,33 5.551,34 3.967,35 4.437,36 5.998,37 4.257,38 5.342,39 5.634,40 3.913,41 4.445,42 6.012,43 4.24,44 5.354,45 5.67,46 3.901,47 4.394,48 5.983,49 4.182,50 5.267,51 5.57,52 3.839,53 4.297,54 6.023,55 4.099,56 0.107,57 1.05,58 19.024,59 7.477,60 14.039,61 11.018,62 0.301,63 1.609,64 32.311,65 12.738,66 31.797,67 18.393,68 0.292,69 1.912,70 41.021,71 15.094,72 34.129,73 22.63,74 0.427,75 1.977,76 43.576,77 15.809,78 49.707,79 23.393,80 0.347,81 2.043,82 44.26,83 16.658,84 38.74,85 24.671,86 0.332,87 2.102,88 46.018,89 17.303,90 38.301,91 25.915,92 0.299,93 2.035,94 45.636,95 17.045,96 35.363,97 25.694,98 0.527,99 1.893,100 43.228,101 14.511,102 54.88,103 22.536,104 46,105 41,106 0.203,107 0.445,108 0.631,109 0.712,110 0.763,111 0.806,112 3.501,113 1.157,114 -7.59,115 -7.37,116 -6.8,119 35.5,120 3,121 13,125 1,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 20,169 1,170 5,172 3,173 3,175 1,178 20,180 1,182 7,187 1,189 20,191 1,193 6,195 1,196 1,197 1,198 2,200 2,201 20,204 2,205 1,207 6,212 3,215 20,218 3,221 6,226 3,229 17,231 3,234 5,239 4,241 14,243 4,245 2,246 5,248 1,249 1,251 4,254 14,256 4,260 1,265 2,268 13,270 2,273 2270,274 21.905,275 21.905,276 21.905,277 21.905,278 21.905,279 20.352,280 21.466,281 13.807,282 22.208,283 16.18,284 16.18,285 16.18,286 16.18,287 16.18,288 13.725,289 25.817,290 6.449,291 16.675,292 4.955,293 3.414,294 2.223,295 1.708,296 1.385,297 1.109,298 4.174,302 1,303 1089,304 4.301,307 257.205,314 2.639,315 19.54,318 0.75,319 0.67,320 0.67,321 0.9,322 1,323 0.67,324 0.5,325 0.74,326 67,327 535,328 4.431,329 3.346,330 6.53,331 4.055,332 3.077,333 4.114,334 0.86,335 10.305,336 3.012,337 4.229,338 3.074,339 6.088,340 3.815,341 2.857,342 3.875,343 0.68,344 8.844,345 2.741,346 3.603,347 2.55,348 5.284,349 3.24,350 2.285,351 2.936,353 6.733,354 2.182,355 3.365,356 2.358,357 5.19,358 3.061,359 2.061,360 2.665,362 6.118,363 2.061,364 3.355,365 2.217,366 4.922,367 2.955,368 2.01,369 2.604,371 5.656,372 1.941,373 2.946,374 2.044,375 4.155,376 2.932,377 1.941,378 1.957,380 3.9,381 1.872,382 2.827,383 1.91,384 3.98,385 2.773,386 1.783,387 1.942,389 3.71,390 1.765,391 2.786,392 1.701,393 3.89,394 2.52,395 1.547,396 1.79,398 3.557,399 1.502,400 2.551,401 1.543,402 3.703,403 2.351,404 1.414,405 1.552,407 3.124,408 1.32,409 2.271,410 1.404,411 3.429,412 2.21,413 1.249,414 1.267,415 2.555,416 1.191,417 1.993,418 1.107,419 3.108,420 1.938,421 0.962,422 0.98,423 1.89,424 0.934,425 1.682,426 0.79,427 2.99,428 1.637,429 0.652,430 0.665,431 1.175,432 0.64,433 1.618,434 0.648,435 2.859,436 1.396,437 0.405,438 0.471,439 0.885,440 0.396,441 1.576,442 0.456,443 2.722,444 1.365,445 0.396,446 0.452,448 0.603,449 0.387,450 1.327,451 0.39,452 2.369,453 1.244,454 0.278,455 0.289,457 0.483,458 0.267,459 15.433,460 0.482,461 0.503,462 0.016,463 32,464 1,465 13.5,466 0.422,467 18.5,468 0.578,469 38.08,470 1.19,471 37.967,472 0.5,473 20.655,474 0.645,475 4.985,476 0.156,477 10.598,478 0.331,479 0.149,481 0.227,485 1.039,486 1.384,487 1.119,488 1.286,489 1.199,490 1.218,491 0.807,492 1.126,493 1.03,494 1.197,495 0.544,496 1.151,497 0.99,498 1.059,499 0.906,500 1.023,501 0.731,502 0.97,503 1.432,504 0.972,505 1.07,506 1.026,507 1.008,508 1.03,509 1.248,510 1.097,511 1.113,512 1.123,513 0.916,514 1.121,515 0.905,516 1.06,517 1.031,518 1.09,519 0.841,520 1.078,521 0.627,522 1.024,523 0.81,524 0.985,525 0.539,526 0.928,527 1.032,528 1.002,529 1.016,530 0.995,531 0.997,532 1.003,533 5,534 0.107,535 2.444,536 1.813,537 1.538,538 0.729,539 0.649,540 0.432,541 0.271,542 0.218,543 15281,544 27139,545 1.961,546 57.9,547 33,548 4,550 1,551 4,553 2,555 1.739,556 1.846,557 3.925,558 1.478,564 98.246,565 1.293,566 2.834,567 4.025,568 4.54,569 4.863,570 5.139,571 3.465,572 4.75,573 4.957,574 4.149,575 2057.95,576 8.651,577 33212.8,582 474.842,583 1.322,584 4.934,585 0.152,586 0.004,587 0.06,588 0.041,589 0.037,590 0.018,591 0.018,592 0.012,593 0.008,594 0.008,595 0.357,597 0.75,598 2.614,599 174.45,600 -0.03,601 -0.011,602 0.02,604 -0.068,605 0.015,606 0.205,607 0.028,608 0.023,609 -0.052,610 0.273,611 -0.037,612 0.046,613 -0.03,614 0.102,615 0.024,616 0.105,617 0.063,618 -0.039,619 0.056,620 -0.032,621 0.008,622 0.058,623 -0.011,624 -0.107,625 -0.069,626 -0.099,627 -0.064,628 -0.03,629 -0.081,630 -0.04,631 -0.071,632 -0.056,633 -0.064,634 -0.04,635 -0.063,636 0.109,637 -0.104,638 0.129,639 0.005,640 0.135,641 0.058,642 0.153,643 -0.025,644 -0.015,645 -0.039,646 0.108,647 -0.04,648 1.453,649 2.801,650 0.375,651 48.297,652 0.979,653 1.138,654 6.363,655 40.494,656 0.615,657 3.526,658 3.738,659 3.932,660 4.127,661 4.304,662 4.304,663 4.369,664 4.419,665 4.477,666 4.489,667 9.205,668 0.557,669 440.75,670 3.526,671 5.004,672 5.802,673 6.632,674 7.458,675 8.302,676 9.143,677 9.997,678 10.849,679 11.709,680 5.3,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,718 76,719 12,720 1,721 33,723 77,724 27,725 10,726 4,727 2,729 2,730 2,734 3,739 13,741 10,742 17,757 44,758 5,759 4,760 5,764 4,769 1,770 1,776 1,781 2,802 2,806 3,810 32,811 2,816 14,818 1,829 1.3,834 1,836 17.333,837 13.983,838 7.667,839 5.613,840 2.165,841 1.304,842 0.931,843 12.486,844 9.281,845 3.689,846 4.159,847 4.64,848 5.136,849 5.627,850 5.751,851 5.975,852 6.294,853 6.638,854 6.906,855 1,856 44,857 11.882,859 4.667,860 7.443,861 23.785,863 18.842,865 1.943,866 62.167,870 470.844,871 114.23,872 99.365,874 11,877 114.23,878 481.844,879 99.365,880 26.476,881 37.541,882 84.747,883 45.342,884 38.033,885 4.227,886 459.073,888 470.844,889 213.595,890 11,893 447.302,894 34.542,897 74.963,898 105.061,899 33.571,901 470.844,902 110.365,903 114.23,906 470.844,907 59.754,908 54.476,910 110.365,911 470.844,912 110.365,913 114.23,915 0.543,916 0.311,917 0.167,918 0.091,919 13,920 7,921 0.208,922 16,924 1,925 4.45,926 251.713,928 12,929 150,933 26.447,934 15.107,935 9.307,937 110.365,938 6.205,939 8.179,943 6.395,945 65.794,946 695.439,947 39,956 74.407,957 86.507,958 0.207,959 0.454,960 0.644,961 0.727,962 0.778,963 0.823,964 4.875,965 1.547,966 5.727,967 3.71,968 4.419,969 4.844,970 1.225,971 6.447,972 4.359,973 6.01,974 1.414,975 7.225,976 3.557,977 3.761,978 4.559,980 7.209,981 3.664,982 7.274,983 1.249,984 8.831,985 3.124,986 5.905,987 6.938,988 0.925,989 10.314,990 5.79,991 8.582,992 0.962,993 10.506,994 2.555,995 6.133,996 7.524,998 11.966,999 5.98,1000 9.93,1001 0.652,1002 12.226,1003 1.89,1004 7.68,1005 9.371,1006 0.697,1007 14.57,1008 7.51,1009 11.305,1010 0.405,1011 13.979,1012 1.175,1013 8.36,1014 10.356,1016 16.595,1017 8.154,1018 12.701,1019 0.396,1020 15.755,1021 0.885,1022 9.648,1023 11.979,1024 0.525,1025 19.021,1026 9.424,1027 3.077,1028 0.278,1029 17.549,1030 0.603,1031 10.555,1032 13.16,1034 21.208,1035 10.301,1036 2.857,1037 10.305,1038 19.356,1039 0.483,1040 11.733,1041 14.677,1042 0.395,1043 23.566,1044 11.459,1045 2.285,1046 8.844,1047 21.173,1048 4.114,1049 12.748,1050 15.958,1052 25.825,1053 12.447,1054 2.061,1055 6.733,1056 22.998,1057 3.875,1058 13.881,1059 17.42,1060 0.298,1061 28.158,1062 13.56,1063 2.01,1064 6.118,1065 24.831,1066 2.936,1067 14.945,1068 18.755,1070 30.451,1071 14.601,1072 1.941,1073 5.656,1074 26.668,1075 2.665,1076 16.061,1077 20.188,1078 0.224,1079 32.776,1080 15.696,1081 1.783,1082 3.9,1083 28.511,1084 2.604,1085 17.149,1086 21.552,1088 35.085,1089 16.762,1090 15511,1091 21141,1092 21.553,1093 46.705,1094 45.665,1095 46.313,1096 48.126,1097 45.893,1098 45.833,1099 55.119,1100 3.08,1101 119.076,1102 44.423,1103 5.395,1104 5.346,1105 6.516,1106 5.124,1107 5.077,1108 7.114,1109 1.72,1110 17.226,1111 5.012,1112 17.692,1113 1.384,1114 1.403,1115 1.458,1116 1.391,1117 1.389,1118 1.67,1119 0.093,1120 3.608,1121 1.346,1122 4.024,1123 4.054,1124 3.969,1125 3.953,1126 5.291,1127 3.952,1128 3.833,1129 3.887,1130 3.792,1131 3.701,1132 4.979,1133 3.697,1134 3.815,1135 3.875,1136 3.65,1137 3.675,1138 4.807,1139 3.68,1140 3.687,1141 3.755,1142 3.512,1143 3.558,1144 4.457,1145 3.538,1146 3.522,1147 3.595,1148 3.333,1149 3.372,1150 4.329,1151 3.351,1152 3.478,1153 3.557,1154 3.284,1155 3.342,1156 4.232,1157 3.318,1158 3.359,1159 3.439,1160 3.202,1161 3.199,1162 4.09,1163 3.189,1164 3.307,1165 3.388,1166 3.086,1167 3.125,1168 4.069,1169 3.103,1170 0.134,1171 0.101,1172 0.198,1173 0.123,1174 0.093,1175 4.431,1176 0.125,1177 3.346,1178 0.026,1179 6.53,1180 0.312,1181 4.055,1182 0.091,1183 3.077,1184 4.114,1185 0.86,1186 10.305,1187 3.012,1188 1.983,1189 1.961,1190 2.093,1191 2.075,1192 1.436,1193 2.079,1194 1.824,1195 1.764,1196 2.071,1197 1.98,1198 1.331,1199 2.014,1200 1.762,1201 1.717,1202 1.983,1203 1.948,1204 1.31,1205 1.935,1206 1.713,1207 1.649,1208 1.871,1209 1.881,1210 1.145,1211 1.912,1212 1.544,1213 1.473,1214 1.84,1215 1.737,1216 1.031,1217 1.776,1218 1.513,1219 1.44,1220 1.822,1221 1.702,1222 1.012,1223 1.748,1224 1.364,1225 1.288,1226 1.663,1227 1.573,1228 0.93,1229 1.607,1230 1.327,1231 1.247,1232 1.634,1233 1.551,1234 0.709,1235 1.59,1236 4.205,1238 5.442,1240 6.874,1242 8.414,1244 10.02,1246 6.649,1250 11.663,1252 16.775,1254 6.301,1262 42.336,1263 98.246,1264 215.364,1265 305.875,1266 345.068,1267 369.558,1268 390.578,1269 78.268,1270 7.116,1271 87.05,1272 87.05,1273 12,1274 12.262,1275 3.7,1276 2.807,1277 77.552,1278 169,1279 234,1280 0.213,1281 268.586,1282 466.09,1283 647.11,1284 12201,1286 23.184,1287 0.724,1288 0.643,1289 23.184,1290 20.589,1291 15.583,1292 0.472,1293 0.386,1294 12.644,1295 15.248,1296 12.252,1297 10.393,1298 15.583,1299 12.728,1300 12.553,1301 0.306,1302 0.215,1303 12.553,1304 8.796,1305 9.918,1306 0.198,1307 0.122,1308 9.918,1309 6.12,1310 7.84,1311 0.129,1312 0.069,1313 7.84,1314 4.193,1315 6.139,1316 0.084,1317 0.04,1318 6.139,1319 2.927,1320 0.351,1321 95.847,1322 0.215,1323 31.155,1324 0.54,1325 148,1326 323.65,1327 157.593,1328 321.064,1329 445.89,1330 302,1331 165,1332 333.426,1333 174.316,1334 340.528,1335 493.13,1336 321,1337 4.194}
{0 CHEMBL120821,1 1.575,2 10.897,3 3.725,4 13.878,5 115.036,6 7.099,7 0.387,8 4.118,9 4.247,10 3.633,11 3.557,12 5.257,13 3.554,14 4.652,15 4.842,16 3.963,17 3.927,18 5.681,19 3.905,20 4.839,21 5.021,22 4.121,23 4.143,24 5.853,25 4.096,26 5.042,27 5.259,28 4.143,29 4.254,30 6.028,31 4.169,32 5.16,33 5.394,34 4.054,35 4.286,36 6.092,37 4.179,38 5.154,39 5.404,40 3.93,41 4.246,42 6.07,43 4.116,44 5.089,45 5.366,46 3.887,47 4.163,48 5.96,49 4.025,50 4.977,51 5.24,52 3.839,53 4.028,54 5.958,55 3.921,56 0.057,57 0.816,58 12.547,59 4.691,60 16.001,61 6.553,62 0.397,63 1.231,64 23.672,65 7.82,66 36.55,67 10.874,68 0.422,69 1.537,70 27.691,71 9.396,72 31.446,73 13.736,74 0.532,75 1.755,76 34.926,77 11.826,78 49.494,79 17.39,80 0.633,81 1.832,82 40.735,83 12.741,84 66.086,85 18.796,86 0.695,87 1.764,88 41.047,89 13.009,90 73.368,91 18.966,92 0.418,93 1.6,94 38.606,95 12.967,96 60.878,97 19.334,98 0.512,99 1.43,100 34.843,101 10.655,102 67.536,103 15.884,104 54,105 43,106 0.261,107 0.61,108 0.766,109 0.797,110 0.806,111 0.83,112 3.408,113 0.909,114 -3.33,115 -3.32,116 -3.18,119 37.5,121 3,122 1,124 3,125 2,137 1,138 1,139 2,140 1,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 9,172 3,173 3,175 1,178 5,180 1,181 2,182 8,187 1,189 2,191 1,192 3,193 7,195 1,196 1,197 1,198 4,200 2,201 5,204 4,205 1,206 1,207 1,212 3,215 9,218 3,220 2,221 4,223 1,224 1,226 1,229 8,231 1,234 8,241 2,246 13,248 1,249 1,251 3,256 3,260 4,265 1,270 1,273 1378,274 19.721,275 19.721,276 19.721,277 19.721,278 19.721,279 17.985,280 30.398,281 11.51,282 20.51,283 15.072,284 15.072,285 15.072,286 15.072,287 15.072,288 12.203,289 39.841,290 5.097,291 16.083,292 4.232,293 2.12,294 1.179,295 0.987,296 0.938,297 0.79,298 4.088,301 1,302 1,303 659,304 3.674,307 265.321,311 139.897,314 1.501,315 28.362,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 63.5,327 316,328 4.446,329 3.408,330 6.556,331 4.07,332 3.115,333 4.12,334 1.053,335 10.394,336 2.998,337 4.415,338 3.273,339 6.502,340 4.029,341 3.07,342 4.091,343 0.86,344 10.177,345 2.918,346 3.881,347 3.09,348 6.095,349 3.638,350 2.706,351 3.107,352 0.86,353 8.889,354 2.521,355 3.546,356 2.555,357 5.295,358 3.276,359 2.319,360 2.829,361 0.86,362 6.797,363 2.217,364 3.443,365 2.435,366 5.19,367 2.972,368 2.061,369 2.604,370 0.249,371 6.118,372 1.896,373 3.355,374 2.226,375 5.062,376 2.968,377 2.031,378 2.563,380 5.803,381 1.867,382 3.325,383 2.221,384 4.973,385 2.899,386 1.947,387 2.301,389 5.758,390 1.847,391 3.196,392 2.116,393 4.424,394 2.52,395 1.561,396 2.043,398 4.206,399 1.494,400 2.559,401 1.946,402 3.712,403 2.007,404 1.138,405 1.356,407 2.565,408 0.989,409 2.119,410 1.332,411 3.698,412 1.979,413 1.008,414 1.073,415 2.247,416 0.97,417 2.088,418 1.273,419 3.154,420 1.789,421 0.856,422 1.038,423 1.592,424 0.792,425 1.576,426 0.954,427 2.859,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.405,434 0.916,435 2.811,436 1.167,437 0.315,438 0.336,439 0.446,440 0.265,441 1.383,442 0.325,443 2.657,444 1.093,445 0.151,446 0.175,448 0.317,449 0.143,450 1.034,451 0.101,452 2.513,453 0.592,454 -0.348,455 -0.421,457 -0.711,458 -0.324,459 13.5,460 0.466,461 0.674,462 0.023,463 36.25,464 1.25,465 17,466 0.586,467 19.25,468 0.664,469 26.632,470 0.918,471 32.7,472 0.584,473 28.911,474 0.997,475 7.278,476 0.251,477 6.72,478 0.232,479 0.207,481 0.363,485 1.002,486 1.462,487 0.858,488 1.237,489 1.066,490 1.043,491 1.258,492 0.902,493 0.861,494 0.826,495 0.724,496 0.792,497 0.842,498 1.28,499 0.967,500 1.153,501 0.769,502 1.082,503 0.74,504 1.143,505 1.006,506 1.186,507 0.704,508 1.145,509 1.214,510 1.041,511 1.176,512 1.071,513 1.197,514 1.114,515 1.178,516 0.85,517 1.204,518 1.019,519 1.204,520 1.106,521 0.755,522 0.93,523 0.832,524 0.98,525 0.734,526 0.935,527 1.116,528 0.907,529 0.93,530 0.902,531 1.013,532 0.894,533 6.5,534 0.235,535 3.333,536 2.313,537 2.462,538 0.938,539 0.75,540 0.585,541 0.316,542 0.324,543 9591,544 26913,545 1.993,546 48.2,547 4,548 15,549 1,551 4,552 2,553 1,555 1.724,556 1.832,557 3.389,558 1.663,560 1,564 88.227,565 1.575,566 3.688,567 4.628,568 4.82,569 4.869,570 5.017,571 2.833,572 4.582,573 4.832,574 3.544,575 1438.72,576 8.437,577 19269,579 1,581 1,582 325.212,583 1.519,584 4.768,585 0.21,586 0.01,587 0.078,588 0.047,589 0.051,590 0.022,591 0.02,592 0.016,593 0.009,594 0.011,595 0.474,596 0.17,597 1,598 1.2,599 146.195,600 -0.082,601 -0.184,602 0.048,603 -0.101,604 -0.104,605 -0.011,606 -0.068,607 0.199,608 0.121,609 0.208,610 0.105,611 0.19,612 0.083,613 -0.124,614 -0.032,615 -0.086,616 0.008,617 -0.074,618 0.117,619 -0.065,620 -0.063,621 -0.149,622 0.073,623 -0.138,624 -0.173,625 -0.041,626 -0.198,627 -0.073,628 -0.223,629 -0.131,630 -0.164,631 0.122,632 -0.222,633 -0.034,634 -0.245,635 -0.125,636 0.021,637 -0.038,638 0.131,639 0.033,640 0.087,641 0.092,642 -0.08,643 0.003,644 0.068,645 0.073,646 0.03,647 0.092,648 1.439,649 2.089,650 0.552,651 25.432,652 1.004,653 1.137,654 2.102,655 4.419,656 0.639,657 3.466,658 3.784,659 4.078,660 4.357,661 4.585,662 4.635,663 4.736,664 4.787,665 4.86,666 4.828,667 6.422,668 0.608,669 397.53,670 3.466,671 5.004,672 5.861,673 6.749,674 7.625,675 8.517,676 9.399,677 10.292,678 11.176,679 12.068,680 8.9,684 2,686 1,690 2,695 2,696 2,700 8,702 12,711 2,714 1,716 3,718 56,719 13,720 1,721 31,723 58,724 21,725 10,726 4,727 2,729 3,730 4,736 3,737 1,739 3,740 2,741 10,742 9,743 1,754 1,757 27,758 8,759 4,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,788 1,789 1,802 2,806 3,810 29,811 2,816 5,818 3,820 1,821 1,823 1,824 1,827 1,829 5.4,834 3,836 15.833,837 10.85,838 6.722,839 3.033,840 2.215,841 1.3,842 0.948,843 6.936,844 9.603,845 3.689,846 4.234,847 4.775,848 5.31,849 5.796,850 5.954,851 6.106,852 6.239,853 6.475,854 6.517,855 1,856 49,857 10.65,859 4.357,860 7.747,861 20.279,863 16.118,865 2.247,866 65.167,868 1,869 1,870 270.735,871 132.425,872 102.49,874 33,877 132.425,878 303.735,879 102.49,880 32.649,881 11.815,882 84.747,883 33.571,884 60.553,885 56.35,886 258.964,888 270.735,889 234.915,890 33,893 258.964,894 44.771,897 16.471,898 167.842,899 50.602,901 270.735,902 135.489,903 132.425,906 270.735,907 40.471,908 54.726,909 17.031,910 155.686,911 270.735,912 135.489,913 132.425,915 0.568,916 0.353,917 0.206,918 0.114,919 19,920 10,921 0.121,922 7,923 1,924 1.125,925 3.849,926 253.819,927 0.125,928 16,929 132.881,933 21.348,934 9.423,935 4.627,937 135.489,938 3.821,939 8.452,943 5.262,945 65.794,946 538.65,947 39,956 56.211,957 63.687,958 0.271,959 0.635,960 0.797,961 0.83,962 0.838,963 0.864,964 4.949,965 1.561,966 5.855,967 5.758,968 4.466,969 4.92,970 2.026,971 6.691,972 4.349,973 6.154,974 1.138,975 7.432,976 4.206,977 4.111,978 4.796,979 0.325,980 7.636,981 3.948,982 7.468,983 1.008,984 9.106,985 2.565,986 6.084,987 7.08,988 1.825,989 10.73,990 5.874,991 8.813,992 0.856,993 10.834,994 2.247,995 6.524,996 7.751,997 0.522,998 12.457,999 6.26,1000 10.186,1001 0.396,1002 12.597,1003 1.592,1004 7.977,1005 9.546,1006 1.674,1007 15.072,1008 7.68,1009 11.58,1010 0.315,1011 14.383,1012 0.603,1013 8.783,1014 10.589,1015 0.665,1016 17.134,1017 8.432,1018 12.99,1019 0.151,1020 16.186,1021 0.446,1022 10.032,1023 12.185,1024 1.556,1025 19.573,1026 9.65,1027 3.115,1028 -0.348,1029 18.002,1030 0.317,1031 11.011,1032 13.412,1033 0.785,1034 21.781,1035 10.578,1036 3.07,1037 10.394,1038 19.828,1039 -0.711,1040 12.178,1041 14.916,1042 1.471,1043 24.151,1044 11.713,1045 2.706,1046 10.177,1047 21.662,1048 4.12,1049 13.236,1050 16.234,1051 0.891,1052 26.424,1053 12.722,1054 2.319,1055 8.889,1056 23.502,1057 4.091,1058 14.373,1059 17.693,1060 1.417,1061 28.768,1062 13.824,1063 2.061,1064 6.797,1065 25.348,1066 3.107,1067 15.466,1068 19.057,1069 0.988,1070 31.07,1071 14.872,1072 2.031,1073 6.118,1074 27.198,1075 2.829,1076 16.593,1077 20.494,1078 1.39,1079 33.403,1080 15.962,1081 1.947,1082 5.803,1083 29.051,1084 2.604,1085 17.703,1086 21.881,1087 1.081,1088 35.718,1089 17.029,1090 9556,1091 16103,1092 19.997,1093 35.767,1094 46.249,1095 47.108,1096 48.535,1097 45.248,1098 45.351,1099 56.175,1100 7.764,1101 131.826,1102 42.521,1103 5.392,1104 5.408,1105 6.319,1106 5.141,1107 5.115,1108 7.12,1109 1.955,1110 17.315,1111 4.998,1112 17.436,1113 1.492,1114 1.52,1115 1.566,1116 1.46,1117 1.463,1118 1.812,1119 0.25,1120 4.252,1121 1.372,1122 4.022,1123 4.064,1124 3.967,1125 3.904,1126 5.431,1127 3.913,1128 3.923,1129 3.945,1130 3.886,1131 3.811,1132 5.282,1133 3.824,1134 3.624,1135 3.682,1136 3.538,1137 3.455,1138 4.979,1139 3.467,1140 3.467,1141 3.529,1142 3.361,1143 3.323,1144 4.972,1145 3.327,1146 3.303,1147 3.355,1148 3.144,1149 3.033,1150 4.58,1151 3.037,1152 3.245,1153 3.308,1154 3.099,1155 3.006,1156 4.473,1157 3.026,1158 3.198,1159 3.278,1160 3.022,1161 2.96,1162 4.458,1163 2.96,1164 3.164,1165 3.256,1166 2.974,1167 2.893,1168 4.268,1169 2.893,1170 0.143,1171 0.11,1172 0.211,1173 0.131,1174 0.1,1175 4.446,1176 0.133,1177 3.408,1178 0.034,1179 6.556,1180 0.335,1181 4.07,1182 0.097,1183 3.115,1184 4.12,1185 1.053,1186 10.394,1187 2.998,1188 1.956,1189 1.918,1190 2.093,1191 2.097,1192 1.457,1193 2.096,1194 1.869,1195 1.852,1196 1.949,1197 2.007,1198 1.111,1199 1.988,1200 1.568,1201 1.517,1202 1.724,1203 1.782,1204 0.88,1205 1.768,1206 1.441,1207 1.385,1208 1.617,1209 1.638,1210 0.751,1211 1.643,1212 1.227,1213 1.163,1214 1.59,1215 1.558,1216 0.67,1217 1.565,1218 1.206,1219 1.139,1220 1.57,1221 1.51,1222 0.584,1223 1.53,1224 1.173,1225 1.091,1226 1.524,1227 1.429,1228 0.571,1229 1.463,1230 1.143,1231 1.057,1232 1.484,1233 1.415,1234 0.552,1235 1.432,1236 4.143,1238 5.46,1240 6.987,1242 8.618,1244 10.302,1246 4.774,1250 11.814,1252 3.777,1254 16.384,1256 0.351,1257 2.133,1259 5.654,1261 2.745,1262 34.046,1263 88.227,1264 206.509,1265 259.173,1266 269.928,1267 272.683,1268 280.947,1269 54.456,1270 7.388,1271 108.75,1272 108.75,1273 18,1274 12.597,1275 3.807,1276 3.17,1277 52.268,1278 110,1279 114,1280 0.229,1281 212.57,1282 373.23,1283 510.432,1284 15011,1286 20.966,1287 0.723,1288 0.588,1289 20.966,1290 17.066,1291 13.998,1292 0.452,1293 0.303,1294 9.191,1295 13.244,1296 8.875,1297 7.424,1298 13.998,1299 9.394,1300 12.082,1301 0.281,1302 0.162,1303 12.082,1304 6.969,1305 10.271,1306 0.177,1307 0.09,1308 10.271,1309 5.2,1310 8.929,1311 0.116,1312 0.05,1313 8.929,1314 3.819,1315 7.207,1316 0.074,1317 0.029,1318 7.207,1319 2.792,1320 0.356,1321 89.304,1322 0.224,1323 27.206,1324 0.643,1325 148,1326 452.766,1327 165.433,1328 430.215,1329 586.16,1330 404,1331 175,1332 427.777,1333 193.182,1334 436.869,1335 632.95,1336 404,1337 7.131}
{0 CHEMBL120826,1 1.395,2 9.273,3 2.657,4 7.06,5 91.376,6 6.87,7 0.48,8 3.867,9 4.014,10 3.378,11 3.403,12 4.883,13 3.371,14 4.432,15 4.627,16 3.765,17 3.85,18 5.387,19 3.783,20 4.724,21 4.961,22 3.778,23 4.002,24 5.547,25 3.894,26 4.794,27 5.056,28 3.656,29 3.975,30 5.616,31 3.83,32 4.778,33 5.066,34 3.458,35 3.882,36 5.538,37 3.71,38 4.683,39 4.99,40 3.311,41 3.766,42 5.41,43 3.577,44 4.494,45 4.8,46 3.248,47 3.608,48 5.191,49 3.438,50 4.235,51 4.51,52 3.176,53 3.377,54 5.166,55 3.259,56 0.057,57 0.693,58 9.93,59 3.645,60 8.982,61 5.419,62 0.199,63 1.133,64 18.217,65 6.896,66 21.58,67 10.059,68 0.187,69 1.382,70 25.168,71 8.653,72 18.423,73 13.257,74 0.27,75 1.4,76 27.566,77 9.281,78 31.601,79 14.263,80 0.256,81 1.299,82 27.629,83 8.897,84 30.181,85 13.956,86 0.307,87 1.138,88 25.409,89 8.624,90 30.837,91 13.177,92 0.14,93 0.943,94 20.774,95 7.444,96 16.863,97 11.387,98 0.162,99 0.793,100 15.905,101 4.84,102 20.761,103 7.725,104 5,105 36,106 0.245,107 0.606,108 0.774,109 0.878,110 0.887,111 0.887,112 3.147,113 0.953,114 -4.5,115 -4.43,116 -4.17,119 39.5,121 4,122 1,125 2,139 4,140 2,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 9,169 1,170 7,172 3,173 3,175 1,178 9,180 1,182 7,187 1,189 6,191 1,193 6,195 1,196 1,197 1,198 4,200 2,201 4,204 4,205 1,207 1,212 3,215 8,218 3,220 2,223 1,224 1,226 1,229 11,231 1,241 6,246 6,248 1,249 1,251 3,254 2,256 3,260 4,265 2,270 2,273 574,274 15.033,275 15.033,276 15.033,277 15.033,278 15.033,279 13.477,280 19.855,281 8.762,282 15.309,283 12.37,284 12.37,285 12.37,286 12.37,287 12.37,288 10.026,289 24.347,290 4.188,291 12.84,292 4.031,293 1.974,294 1.012,295 0.419,296 0.372,297 0.372,298 3.848,300 1,301 1,302 1,303 456,304 2.236,306 41.067,307 151.053,310 78.212,311 84.321,314 1.364,315 14.885,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 46.5,327 204,328 4.419,329 3.33,330 6.541,331 4.074,332 3.107,333 4.091,334 0.8,335 10.333,336 3.009,337 4.331,338 3.249,339 6.496,340 4.006,341 3.041,342 3.887,344 10.15,345 2.938,346 3.583,347 2.515,348 5.418,349 3.388,350 2.416,351 2.839,353 7.13,354 2.347,355 3.364,356 2.276,357 5.067,358 3.007,359 2.075,360 2.57,362 5.947,363 1.925,364 3.29,365 2.221,366 5.041,367 2.938,368 1.992,369 2.478,371 5.795,372 1.883,373 3.03,374 1.973,375 4.9,376 2.767,377 1.804,378 2.151,380 5.397,381 1.731,382 2.915,383 1.675,384 4.16,385 2.542,386 1.546,387 2.054,389 3.722,390 1.54,391 2.465,392 1.303,393 3.71,394 2.136,395 1.156,396 1.458,398 2.752,399 1.131,400 2.091,401 1.23,402 3.584,403 1.981,404 1.006,405 1.066,407 2.565,408 0.978,409 1.827,410 0.747,411 3.183,412 1.635,413 0.651,414 0.745,415 1.524,416 0.64,417 1.351,418 0.347,419 2.902,420 1.135,421 0.177,422 0.198,423 0.451,424 0.169,425 0.93,426 -0.112,427 2.668,428 0.625,429 -0.32,430 -0.368,431 -0.87,432 -0.301,433 0.797,434 -0.296,435 2.508,436 0.468,437 -0.462,438 -0.562,439 -1.184,440 -0.427,441 0.605,442 -0.549,443 2.234,444 0.177,445 -0.809,446 -0.864,448 -1.976,449 -0.773,450 0.411,451 -0.662,452 2,453 0.148,454 -0.817,455 -0.968,457 -2.109,458 -0.807,459 10.5,460 0.477,461 0.554,462 0.025,463 28.25,464 1.284,465 13.5,466 0.614,467 14.75,468 0.67,469 18.207,470 0.828,471 23.7,472 0.551,473 17,474 0.773,475 5.078,476 0.231,477 5.625,478 0.256,479 0.076,481 0.371,485 1.12,486 1.282,487 0.887,488 1.015,489 1.197,490 0.939,491 0.667,492 1.033,493 0.878,494 1.037,495 0.373,496 0.991,497 1.044,498 1.159,499 1.045,500 1.106,501 0.767,502 1.081,503 0.985,504 1.08,505 1.124,506 1.15,507 0.812,508 1.153,509 1.122,510 0.988,511 1.126,512 1.053,513 1.213,514 1.084,515 0.81,516 0.695,517 0.989,518 0.896,519 1.031,520 0.953,521 0.536,522 0.901,523 0.737,524 0.898,525 0.544,526 0.85,527 1.092,528 1.088,529 0.968,530 0.988,531 1.247,532 0.968,533 4.5,534 0.082,535 2.444,536 1.729,537 1.235,538 0.431,539 0.339,540 0.251,541 0.225,542 0.097,543 5288,544 11604,545 2.176,546 48.8,547 4,548 8,551 4,552 2,553 3,555 1.643,556 2.063,557 3.185,558 1.825,559 1,560 1,562 1,564 59.994,565 1.395,566 3.453,567 4.414,568 5.008,569 5.054,570 5.054,571 2.652,572 4.278,573 4.435,574 3.3,575 762.296,576 7.604,577 8204.96,579 1,581 1,582 233.329,583 1.322,584 4.403,585 0.18,586 0.01,587 0.068,588 0.049,589 0.043,590 0.019,591 0.017,592 0.013,593 0.012,594 0.007,595 0.418,596 0.33,597 1,598 0.517,599 100.524,600 -0.117,601 -0.031,602 0.048,603 0.065,604 -0.133,605 0.074,606 0.266,607 0.107,608 0.067,609 0.017,610 0.315,611 0.018,612 -0.111,613 -0.117,614 -0.087,615 -0.094,616 -0.048,617 -0.089,618 -0.026,619 -0.089,620 -0.156,621 -0.166,622 0.031,623 -0.174,624 -0.16,625 -0.051,626 -0.148,627 -0.091,628 -0.193,629 -0.114,630 0.073,631 0.196,632 -0.01,633 0.071,634 -0.092,635 0.029,636 0.137,637 -0.05,638 0.226,639 0.109,640 0.112,641 0.167,642 0.02,643 -0.108,644 0.026,645 -0.044,646 -0.038,647 -0.015,648 1.372,649 2.044,650 0.864,651 15.364,652 0.99,653 1.135,654 3.273,655 10.713,656 0.654,657 3.258,658 3.611,659 3.912,660 4.22,661 4.431,662 4.466,663 4.595,664 4.718,665 4.82,666 4.868,667 5.4,668 0.612,669 295.43,670 3.258,671 4.812,672 5.68,673 6.575,674 7.456,675 8.353,676 9.239,677 10.135,678 11.023,679 11.919,680 11.6,684 2,686 1,690 2,695 4,696 2,700 6,702 12,711 2,714 1,718 43,719 12,720 1,721 25,723 46,724 17,725 10,726 2,727 4,729 4,730 6,736 4,737 1,739 4,741 10,742 7,743 1,753 1,754 1,757 21,758 5,759 4,760 5,764 5,769 0.5,776 1,780 1,781 3,784 1,785 1,802 2,810 22,811 2,816 6,820 1,821 1,836 10.667,837 7.433,838 4.694,839 2.679,840 2.317,841 1.314,842 1.035,843 3.416,844 9.689,845 3.466,846 4.06,847 4.605,848 5.139,849 5.598,850 5.659,851 5.811,852 6.049,853 6.251,854 6.445,855 1,856 35,857 8.138,859 3.525,860 7.515,861 16.103,863 14.013,865 2.015,866 44.333,867 0.001,869 1,870 200.109,871 68.366,872 102.49,877 68.366,878 200.109,879 102.49,881 14.35,882 103.699,883 33.571,884 15.009,885 4.227,886 200.109,888 200.109,889 170.856,893 164.795,894 35.313,897 19.005,898 118.279,899 33.571,901 200.109,902 102.49,903 68.366,906 200.109,907 30.461,908 41.029,910 99.365,911 200.109,912 102.49,913 68.366,915 0.589,916 0.349,917 0.199,918 0.106,919 20,920 8,921 0.043,922 2,923 2,924 1.211,925 3.49,926 180.878,927 0.211,928 19,929 96.107,933 13.83,934 5.434,935 2.556,937 102.49,938 8.723,939 8.47,943 5.877,945 65.794,946 370.965,947 31,956 42.578,957 48.813,958 0.257,959 0.636,960 0.814,961 0.923,962 0.931,963 0.931,964 4.727,965 1.156,966 5.673,967 3.722,968 4.29,969 4.745,970 0.673,971 6.503,972 4.219,973 5.92,974 1.006,975 7.239,976 2.752,977 3.892,978 4.543,979 0.325,980 7.402,981 3.771,982 7.226,983 0.651,984 8.903,985 2.565,986 5.9,987 6.888,988 0.379,989 10.52,990 5.76,991 8.564,992 0.177,993 10.623,994 1.524,995 6.312,996 7.488,997 0.268,998 12.253,999 6.126,1000 9.934,1001 -0.32,1002 12.381,1003 0.451,1004 7.796,1005 9.335,1006 0.239,1007 14.875,1008 7.593,1009 11.327,1010 -0.462,1011 14.166,1012 -0.87,1013 8.592,1014 10.32,1015 0.188,1016 16.957,1017 8.348,1018 12.739,1019 -0.809,1020 15.969,1021 -1.184,1022 9.862,1023 11.947,1024 0.156,1025 19.4,1026 9.595,1027 3.107,1028 -0.817,1029 17.788,1030 -1.976,1031 10.839,1032 13.125,1033 0.125,1034 21.626,1035 10.534,1036 3.041,1037 10.333,1038 19.618,1039 -2.109,1040 12.019,1041 14.643,1042 0.102,1043 24,1044 11.688,1045 2.416,1046 10.15,1047 21.457,1048 4.091,1049 13.078,1050 15.922,1051 0.082,1052 26.286,1053 12.711,1054 2.075,1055 7.13,1056 23.303,1057 3.887,1058 14.223,1059 17.383,1060 0.066,1061 28.632,1062 13.827,1063 1.992,1064 5.947,1065 25.156,1066 2.839,1067 15.319,1068 18.714,1069 0.054,1070 30.942,1071 14.887,1072 1.804,1073 5.795,1074 27.012,1075 2.57,1076 16.45,1077 20.145,1078 0.043,1079 33.278,1080 15.988,1081 1.546,1082 5.397,1083 28.872,1084 2.478,1085 17.561,1086 21.504,1087 0.035,1088 35.598,1089 17.066,1090 4929,1091 7393,1092 17.107,1093 28.12,1094 38.053,1095 38.179,1096 38.642,1097 38.008,1098 37.941,1099 47.074,1100 1.6,1101 111.531,1102 36.579,1103 5.372,1104 5.33,1105 6.223,1106 5.146,1107 5.107,1108 7.091,1109 1.2,1110 17.227,1111 5.009,1112 8.211,1113 1.522,1114 1.527,1115 1.546,1116 1.52,1117 1.518,1118 1.883,1119 0.064,1120 4.461,1121 1.463,1122 4.044,1123 4.088,1124 3.979,1125 3.946,1126 5.282,1127 3.947,1128 3.943,1129 3.985,1130 3.891,1131 3.842,1132 4.978,1133 3.847,1134 3.577,1135 3.647,1136 3.473,1137 3.401,1138 4.764,1139 3.413,1140 3.39,1141 3.463,1142 3.246,1143 3.237,1144 4.461,1145 3.23,1146 3.177,1147 3.271,1148 3.024,1149 2.997,1150 4.143,1151 2.985,1152 3.083,1153 3.186,1154 2.926,1155 2.846,1156 3.943,1157 2.859,1158 2.89,1159 2.988,1160 2.722,1161 2.714,1162 3.736,1163 2.709,1164 2.802,1165 2.907,1166 2.59,1167 2.499,1168 3.662,1169 2.511,1170 0.177,1171 0.133,1172 0.262,1173 0.163,1174 0.124,1175 4.419,1176 0.164,1177 3.33,1178 0.032,1179 6.541,1180 0.413,1181 4.074,1182 0.12,1183 3.107,1184 4.091,1185 0.8,1186 10.333,1187 3.009,1188 1.95,1189 1.909,1190 2.09,1191 2.09,1192 1.456,1193 2.09,1194 1.88,1195 1.852,1196 1.997,1197 1.962,1198 1.174,1199 1.973,1200 1.577,1201 1.51,1202 1.768,1203 1.8,1204 1.033,1205 1.795,1206 1.412,1207 1.34,1208 1.625,1209 1.636,1210 0.792,1211 1.649,1212 1.182,1213 1.104,1214 1.493,1215 1.419,1216 0.742,1217 1.439,1218 1.046,1219 0.963,1220 1.321,1221 1.349,1222 0.419,1223 1.358,1224 0.878,1225 0.791,1226 1.21,1227 1.177,1228 0.217,1229 1.208,1230 0.799,1231 0.725,1232 1.107,1233 1.056,1234 0.168,1235 1.074,1236 3.932,1238 5.273,1239 2.398,1240 6.812,1241 4.727,1242 8.445,1243 6.823,1244 10.125,1250 11.736,1252 6.409,1256 0.605,1257 2.513,1262 26.321,1263 59.994,1264 148.469,1265 189.82,1266 215.329,1267 217.329,1268 217.329,1269 26.531,1270 7.371,1271 81.06,1272 81.06,1273 23,1274 12.445,1275 3.7,1276 2.807,1277 29.994,1278 72,1279 64,1280 0.208,1281 160.674,1282 270.58,1283 383.804,1284 15699,1286 15.104,1287 0.687,1288 0.574,1289 15.104,1290 12.626,1291 10.704,1292 0.428,1293 0.318,1294 7.863,1295 10.406,1296 7.704,1297 6.33,1298 10.704,1299 7.941,1300 9.938,1301 0.276,1302 0.176,1303 9.938,1304 6.326,1305 8.485,1306 0.173,1307 0.1,1308 8.485,1309 4.886,1310 7.564,1311 0.113,1312 0.057,1313 7.564,1314 3.794,1315 6.06,1316 0.073,1317 0.033,1318 6.06,1319 2.774,1320 0.322,1321 66.19,1322 0.242,1323 21.537,1324 0.58,1325 122,1326 271.56,1327 130.798,1328 273.912,1329 389.68,1330 258,1331 146,1332 303.141,1333 154.826,1334 309.255,1335 454.75,1336 293,1337 6.796}
{0 CHEMBL120939,1 1.526,2 10.923,3 2.894,4 8.373,5 106.254,6 6.745,7 0.429,8 4.056,9 4.198,10 3.526,11 3.508,12 5.107,13 3.488,14 4.603,15 4.799,16 3.863,17 3.886,18 5.61,19 3.835,20 4.852,21 5.082,22 3.928,23 4.026,24 5.765,25 3.956,26 4.867,27 5.098,28 3.868,29 4.054,30 5.798,31 3.951,32 4.944,33 5.204,34 3.757,35 4.058,36 5.812,37 3.921,38 4.936,39 5.219,40 3.64,41 3.983,42 5.746,43 3.828,44 4.843,45 5.119,46 3.596,47 3.873,48 5.616,49 3.743,50 4.713,51 4.954,52 3.584,53 3.821,54 5.565,55 3.708,56 0.054,57 0.782,58 12.596,59 4.507,60 11.2,61 6.644,62 0.253,63 1.179,64 22.787,65 7.919,66 32.297,67 11.404,68 0.402,69 1.398,70 30.048,71 8.882,72 35.453,73 13.779,74 0.365,75 1.461,76 30.024,77 9.399,78 40.112,79 14.625,80 0.44,81 1.485,82 32.823,83 9.788,84 45.343,85 15.757,86 0.434,87 1.369,88 32.917,89 10.062,90 46.93,91 15.686,92 0.388,93 1.178,94 30.271,95 9.291,96 37.252,97 14.074,98 0.358,99 1.099,100 26.306,101 8.549,102 34.18,103 12.465,104 25,105 38,106 0.257,107 0.597,108 0.787,109 0.834,110 0.846,111 0.866,112 3.304,113 0.98,114 -3.71,115 -3.68,116 -3.5,119 35.8,120 2,121 3,122 1,125 3,139 3,140 1,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 8,172 3,173 3,175 3,178 5,180 1,182 6,185 1,187 4,189 3,191 1,193 3,195 1,196 2,197 1,198 7,200 2,201 4,204 4,205 1,206 1,207 2,212 4,215 6,218 3,221 3,224 2,225 1,226 2,228 1,229 5,231 1,234 6,241 5,246 4,250 1,251 1,253 1,254 5,256 1,259 2,260 2,262 1,263 1,265 1,268 5,270 1,273 984,274 17.687,275 17.687,276 17.687,277 17.687,278 17.687,279 16.134,280 27.122,281 10.668,282 18.348,283 13.773,284 13.773,285 13.773,286 13.773,287 13.773,288 11.348,289 35.467,290 4.927,291 14.678,292 4.202,293 2.185,294 1.062,295 0.783,296 0.708,297 0.595,298 3.987,300 1,301 1,302 1,303 598,304 3.162,307 225.124,311 116.336,314 1.479,315 23.018,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 56.5,327 284,328 4.417,329 3.27,330 6.502,331 4.049,332 3.079,333 4.091,334 0.86,335 10.175,336 2.99,337 4.27,338 3.167,339 6.18,340 3.865,341 2.911,342 3.913,343 0.86,344 9.219,345 2.771,346 3.586,347 2.743,348 5.314,349 3.378,350 2.412,351 2.873,352 0.4,353 6.889,354 2.331,355 3.548,356 2.494,357 5.251,358 3.186,359 2.27,360 2.832,362 6.647,363 2.069,364 3.332,365 2.223,366 5.062,367 2.977,368 2.045,369 2.564,371 5.803,372 1.899,373 3.226,374 2.211,375 4.971,376 2.914,377 1.966,378 2.321,380 5.757,381 1.859,382 2.912,383 1.991,384 4.423,385 2.572,386 1.64,387 2.034,389 4.38,390 1.524,391 2.304,392 1.541,393 3.71,394 2.094,395 1.182,396 1.289,398 2.565,399 1.065,400 2.105,401 1.343,402 3.324,403 1.983,404 1.008,405 1.08,407 2.168,408 0.981,409 2.092,410 1.301,411 3.261,412 1.926,413 1,414 1.068,415 1.761,416 0.916,417 1.84,418 0.889,419 3.076,420 1.661,421 0.71,422 0.783,423 1.588,424 0.673,425 1.327,426 0.411,427 2.749,428 1.087,429 0.144,430 0.162,431 0.293,432 0.135,433 1.152,434 0.161,435 2.585,436 0.885,437 -0.049,438 -0.056,439 -0.105,440 -0.045,441 0.873,442 -0.212,443 2.459,444 0.499,445 -0.429,446 -0.5,448 -0.79,449 -0.395,450 0.706,451 -0.289,452 2.3,453 0.447,454 -0.483,455 -0.557,457 -1.144,458 -0.446,459 12.167,460 0.468,461 0.571,462 0.022,463 31.5,464 1.212,465 14.5,466 0.558,467 17,468 0.654,469 23.556,470 0.906,471 29.833,472 0.563,473 21.759,474 0.837,475 5.831,476 0.224,477 6.77,478 0.26,479 0.148,481 0.329,485 1.032,486 1.401,487 0.921,488 1.204,489 1.192,490 1.056,491 1.016,492 1.104,493 0.881,494 1.103,495 0.609,496 1.003,497 1.328,498 1.076,499 0.989,500 0.937,501 0.998,502 0.922,503 0.956,504 1.2,505 1.121,506 1.194,507 0.939,508 1.182,509 0.899,510 1.123,511 1.143,512 1.128,513 1.176,514 1.156,515 0.908,516 0.854,517 1.055,518 1.011,519 1.038,520 1.043,521 1.264,522 0.832,523 0.954,524 0.887,525 0.908,526 0.887,527 1.421,528 0.974,529 1.064,530 1.019,531 1.005,532 1.02,533 5.5,534 0.173,535 2.667,536 1.5,537 1.711,538 0.701,539 0.425,540 0.326,541 0.267,542 0.227,543 7816,544 19200,545 2.037,546 50.9,547 4,548 9,551 5,552 2,553 7,555 1.691,556 1.902,557 3.414,558 2.558,559 1,560 1,564 80.878,565 1.526,566 3.542,567 4.666,568 4.945,569 5.02,570 5.133,571 2.83,572 4.133,573 4.673,574 3.556,575 1155.56,576 8.098,577 14722,579 1,581 1,582 303.58,583 1.42,584 4.628,585 0.196,586 0.009,587 0.07,588 0.038,589 0.048,590 0.023,591 0.016,592 0.012,593 0.01,594 0.009,595 0.43,596 0.17,597 1,598 1.166,599 127.959,600 -0.094,601 -0.071,602 0.037,603 -0.018,604 -0.165,605 0.031,606 0.075,607 0.032,608 0.101,609 -0.007,610 0.261,611 0.036,612 -0.119,613 -0.027,614 0.016,615 0.076,616 -0.057,617 0.066,618 -0.032,619 -0.1,620 -0.152,621 -0.162,622 -0.027,623 -0.177,624 -0.043,625 -0.088,626 -0.179,627 -0.135,628 -0.197,629 -0.167,630 -0.031,631 0.107,632 -0.085,633 -0.046,634 -0.127,635 -0.067,636 -0.114,637 0.055,638 0.042,639 0.092,640 -0.052,641 0.092,642 -0.147,643 -0.03,644 -0.063,645 0.011,646 -0.047,647 -0.019,648 1.41,649 2.227,650 0.615,651 23.207,652 0.998,653 1.141,654 2.48,655 6.15,656 0.629,657 3.367,658 3.664,659 3.912,660 4.174,661 4.407,662 4.431,663 4.489,664 4.533,665 4.625,666 4.644,667 6.442,668 0.591,669 357.51,670 3.367,671 4.89,672 5.727,673 6.597,674 7.454,675 8.33,676 9.194,677 10.071,678 10.939,679 11.816,680 9.4,684 2,685 1,690 2,695 3,696 2,700 7,702 12,711 2,712 1,716 2,718 53,719 12,720 1,721 28,723 55,724 19,725 10,726 3,727 3,729 3,730 4,734 2,736 3,737 1,739 3,741 10,742 9,743 1,753 1,754 1,757 27,758 7,759 5,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 2,810 26,811 2,816 6,817 1,818 2,820 1,829 3.8,834 2,836 13.667,837 9.733,838 5.917,839 3.436,840 2.333,841 1.322,842 0.962,843 6.3,844 9.586,845 3.555,846 4.111,847 4.63,848 5.153,849 5.641,850 5.726,851 5.792,852 5.921,853 6.134,854 6.29,855 1,856 40,857 9.594,859 3.945,860 7.635,861 18.579,863 14.969,865 2.135,866 55.5,869 1,870 258.964,871 88.386,872 117.376,874 22,877 88.386,878 280.964,879 117.376,880 17.65,881 18.894,882 94.223,883 51.582,884 41.186,885 4.227,886 258.964,888 258.964,889 205.762,890 22,893 176.567,894 104.397,897 41.2,898 112.98,899 51.582,901 258.964,902 139.376,903 88.386,906 258.964,907 42.307,908 46.079,909 18.011,910 121.365,911 258.964,912 139.376,913 88.386,915 0.566,916 0.33,917 0.189,918 0.107,919 17,920 8,921 0.127,922 7,923 1,924 1.125,925 3.78,926 210.745,927 0.125,928 16,929 120.211,933 18.895,934 8.669,935 4.653,937 139.376,938 5.865,939 8.425,943 5.399,945 83.805,946 486.726,947 34,956 52.883,957 60.478,958 0.266,959 0.618,960 0.815,961 0.863,962 0.876,963 0.896,964 4.787,965 1.182,966 5.7,967 4.38,968 4.344,969 4.796,970 1.454,971 6.488,972 4.236,973 5.967,974 1.008,975 7.242,976 2.565,977 3.892,978 4.62,980 7.322,981 3.753,982 7.264,983 1,984 8.881,985 2.168,986 5.911,987 6.94,988 1.175,989 10.405,990 5.72,991 8.594,992 0.71,993 10.577,994 1.761,995 6.256,996 7.556,998 12.048,999 6.037,1000 9.956,1001 0.144,1002 12.308,1003 1.588,1004 7.745,1005 9.384,1006 0.966,1007 14.643,1008 7.488,1009 11.34,1010 -0.049,1011 14.064,1012 0.293,1013 8.477,1014 10.373,1016 16.646,1017 8.191,1018 12.742,1019 -0.429,1020 15.839,1021 -0.105,1022 9.741,1023 11.989,1024 0.788,1025 19.061,1026 9.424,1027 3.079,1028 -0.483,1029 17.629,1030 -0.79,1031 10.667,1032 13.168,1034 21.227,1035 10.319,1036 2.911,1037 10.175,1038 19.43,1039 -1.144,1040 11.834,1041 14.68,1042 0.634,1043 23.572,1044 11.459,1045 2.412,1046 9.219,1047 21.24,1048 4.091,1049 12.855,1050 15.96,1052 25.813,1053 12.447,1054 2.27,1055 6.889,1056 23.059,1057 3.913,1058 13.983,1059 17.418,1060 0.504,1061 28.131,1062 13.548,1063 2.045,1064 6.647,1065 24.885,1066 2.873,1067 15.049,1068 18.75,1070 30.405,1071 14.583,1072 1.966,1073 5.803,1074 26.716,1075 2.832,1076 16.163,1077 20.179,1078 0.395,1079 32.714,1080 15.668,1081 1.64,1082 5.757,1083 28.552,1084 2.564,1085 17.251,1086 21.54,1088 35.005,1089 16.726,1090 7707,1091 12195,1092 18.493,1093 33.313,1094 40.774,1095 41.684,1096 42.502,1097 40.755,1098 40.738,1099 50.018,1100 4.24,1101 114.491,1102 38.426,1103 5.362,1104 5.27,1105 6.276,1106 5.121,1107 5.079,1108 7.091,1109 1.72,1110 17.069,1111 4.99,1112 13.518,1113 1.456,1114 1.489,1115 1.518,1116 1.456,1117 1.455,1118 1.786,1119 0.151,1120 4.089,1121 1.372,1122 4.012,1123 4.057,1124 3.954,1125 3.896,1126 5.282,1127 3.903,1128 3.911,1129 3.936,1130 3.867,1131 3.808,1132 4.978,1133 3.817,1134 3.582,1135 3.654,1136 3.476,1137 3.39,1138 4.911,1139 3.405,1140 3.502,1141 3.564,1142 3.335,1143 3.281,1144 4.565,1145 3.279,1146 3.421,1147 3.502,1148 3.212,1149 3.231,1150 4.465,1151 3.212,1152 3.228,1153 3.318,1154 3.063,1155 3.032,1156 4.249,1157 3.026,1158 3.135,1159 3.243,1160 3.003,1161 2.883,1162 4.093,1163 2.899,1164 2.911,1165 3.019,1166 2.741,1167 2.71,1168 3.876,1169 2.705,1170 0.158,1171 0.117,1172 0.232,1173 0.145,1174 0.11,1175 4.417,1176 0.146,1177 3.27,1178 0.031,1179 6.502,1180 0.363,1181 4.049,1182 0.107,1183 3.079,1184 4.091,1185 0.86,1186 10.175,1187 2.99,1188 1.952,1189 1.912,1190 2.092,1191 2.094,1192 1.45,1193 2.093,1194 1.87,1195 1.849,1196 1.969,1197 2,1198 1.087,1199 1.989,1200 1.524,1201 1.459,1202 1.801,1203 1.761,1204 0.939,1205 1.759,1206 1.478,1207 1.41,1208 1.767,1209 1.731,1210 0.914,1211 1.748,1212 1.429,1213 1.349,1214 1.669,1215 1.652,1216 0.836,1217 1.687,1218 1.216,1219 1.133,1220 1.517,1221 1.46,1222 0.746,1223 1.484,1224 1.065,1225 0.975,1226 1.343,1227 1.396,1228 0.406,1229 1.386,1230 0.88,1231 0.798,1232 1.216,1233 1.197,1234 0.179,1235 1.226,1236 4.043,1238 5.342,1240 6.845,1242 8.45,1244 10.108,1246 3.953,1250 11.736,1252 4.827,1253 3.517,1254 11.331,1256 0.447,1262 31.331,1263 80.878,1264 187.75,1265 247.315,1266 262.07,1267 266.07,1268 272.07,1269 42.452,1270 7.253,1271 108.31,1272 108.31,1273 18,1274 12.356,1275 3.7,1276 2.807,1277 44.362,1278 102,1279 96,1280 0.215,1281 195.244,1282 335.12,1283 468.156,1284 13692,1286 18.518,1287 0.712,1288 0.593,1289 18.518,1290 15.418,1291 12.601,1292 0.45,1293 0.327,1294 9.008,1295 12.033,1296 8.783,1297 7.291,1298 12.601,1299 9.145,1300 11.011,1301 0.29,1302 0.169,1303 11.011,1304 6.406,1305 8.917,1306 0.182,1307 0.093,1308 8.917,1309 4.567,1310 7.682,1311 0.12,1312 0.052,1313 7.682,1314 3.344,1315 6.199,1316 0.077,1317 0.03,1318 6.199,1319 2.418,1320 0.339,1321 79.27,1322 0.233,1323 25.176,1324 0.584,1325 132,1326 365.719,1327 147.19,1328 349.449,1329 485.79,1330 330,1331 153,1332 366.923,1333 167.028,1334 366.093,1335 536.13,1336 347,1337 5.833}
{0 CHEMBL120994,1 1.652,2 10.091,3 3.558,4 12.657,5 93.441,6 8.674,7 0.5,8 3.774,9 3.91,10 3.457,11 3.341,12 4.888,13 3.311,14 4.296,15 4.468,16 3.873,17 3.768,18 5.39,19 3.699,20 4.602,21 4.817,22 4.054,23 3.927,24 5.616,25 3.82,26 4.64,27 4.894,28 3.724,29 3.815,30 5.599,31 3.676,32 4.571,33 4.849,34 3.499,35 3.683,36 5.46,37 3.532,38 4.45,39 4.727,40 3.365,41 3.593,42 5.347,43 3.421,44 4.312,45 4.592,46 3.372,47 3.498,48 5.145,49 3.329,50 4.061,51 4.284,52 3.443,53 3.364,54 5.13,55 3.225,56 0.074,57 0.603,58 6.851,59 3.07,60 10.439,61 4.115,62 0.175,63 0.938,64 13.748,65 6.023,66 21.556,67 8.116,68 0.32,69 1.133,70 28.15,71 8.066,72 33.863,73 10.889,74 0.392,75 1.12,76 27.435,77 8.21,78 44.618,79 11.517,80 0.379,81 1.016,82 26.142,83 7.462,84 44.839,85 10.703,86 0.376,87 0.875,88 24.579,89 7.148,90 44.343,91 9.995,92 0.252,93 0.72,94 23.472,95 6.845,96 29.828,97 9.501,98 0.212,99 0.564,100 19.89,101 5.35,102 25.437,103 7.006,104 17,105 34,106 0.297,107 0.676,108 0.819,109 0.887,110 0.896,111 0.896,112 3.146,113 0.985,114 -4.77,115 -4.68,116 -4.4,119 38.5,121 3,122 1,125 1,139 3,140 1,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 3,172 3,173 3,175 4,178 7,180 1,182 3,187 4,189 7,191 1,193 3,195 1,196 1,197 1,198 7,200 2,201 3,204 4,205 1,207 1,212 4,215 5,218 3,224 2,225 1,226 1,228 1,229 7,231 1,241 5,246 4,250 1,251 2,253 1,254 4,256 2,260 2,265 1,268 2,270 1,273 608,274 14.533,275 14.533,276 14.533,277 14.533,278 14.533,279 12.875,280 20.274,281 8.408,282 15.003,283 11.822,284 11.822,285 11.822,286 11.822,287 11.822,288 9.373,289 26.894,290 4.018,291 12.734,292 3.633,293 1.529,294 0.737,295 0.359,296 0.308,297 0.308,298 3.825,299 2,300 1,301 1,302 1,303 475,304 2.449,307 183.254,311 95.662,314 1.463,315 21.105,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 47.167,327 222,328 4.417,329 3.316,330 6.502,331 4.048,332 3.079,333 4.091,334 0.4,335 10.175,336 2.99,337 4.215,338 3.268,339 5.951,340 3.735,341 2.83,342 3.869,344 8.326,345 2.551,346 3.6,347 2.609,348 5.353,349 3.391,350 2.435,351 2.857,353 6.957,354 2.319,355 3.496,356 2.397,357 5.161,358 3.09,359 2.18,360 2.807,362 6.325,363 1.912,364 3.324,365 2.221,366 5.062,367 2.965,368 2.028,369 2.563,371 5.8,372 1.882,373 3.19,374 2.148,375 4.963,376 2.894,377 1.944,378 2.272,380 5.73,381 1.814,382 2.82,383 2.089,384 4.043,385 2.306,386 1.414,387 1.949,389 3.526,390 1.199,391 2.095,392 1.306,393 3.71,394 1.984,395 1.009,396 1.07,398 2.565,399 0.981,400 1.893,401 1.051,402 3.295,403 1.703,404 0.775,405 0.841,407 1.832,408 0.704,409 1.394,410 0.665,411 2.769,412 1.042,413 0.179,414 0.207,415 0.41,416 0.13,417 1.163,418 0.197,419 2.605,420 0.778,421 -0.057,422 -0.066,423 -0.135,424 -0.044,425 0.869,426 -0.076,427 2.476,428 0.482,429 -0.439,430 -0.544,431 -1.144,432 -0.39,433 0.741,434 -0.287,435 2.375,436 0.311,437 -0.573,438 -0.681,439 -1.506,440 -0.432,441 0.389,442 -0.489,443 2.205,444 0.152,445 -0.808,446 -0.864,448 -2.035,449 -0.676,450 0.265,451 -0.59,452 1.903,453 0.115,454 -0.819,455 -0.965,457 -2.396,458 -0.787,459 10.929,460 0.497,461 0.647,462 0.029,463 28,464 1.273,465 13.5,466 0.614,467 14.5,468 0.659,469 18.603,470 0.846,471 23.871,472 0.612,473 17.353,474 0.789,475 5.122,476 0.233,477 5.403,478 0.246,479 0.204,481 0.366,485 0.894,486 1.218,487 0.579,488 0.771,489 0.997,490 0.789,491 0.541,492 1.075,493 0.593,494 0.903,495 0.401,496 0.924,497 0.907,498 1.193,499 0.783,500 0.983,501 0.752,502 1.014,503 0.854,504 1.084,505 0.845,506 1.059,507 0.81,508 1.109,509 0.885,510 0.977,511 0.751,512 0.924,513 1.059,514 1.01,515 0.863,516 0.705,517 0.869,518 0.897,519 1.06,520 1.011,521 0.797,522 0.801,523 0.834,524 0.842,525 0.8,526 0.857,527 1.173,528 1.013,529 1.335,530 1.118,531 1.123,532 1.027,533 5.5,534 0.132,535 2.667,536 1.375,537 1.631,538 0.41,539 0.303,540 0.342,541 0.176,542 0.182,543 5188,544 17288,545 2.043,546 43.6,547 4,548 5,551 5,552 2,553 1,555 1.639,556 1.886,557 3.299,558 2.779,560 1,562 1,564 64.431,565 1.652,566 3.756,567 4.548,568 4.926,569 4.978,570 4.978,571 2.738,572 4.459,573 4.434,574 3.429,575 792.112,576 7.586,577 8815.46,578 1,579 1,580 1,581 1,582 206.131,583 1.495,584 4.376,585 0.229,586 0.011,587 0.078,588 0.04,589 0.063,590 0.02,591 0.017,592 0.019,593 0.01,594 0.012,595 0.499,596 0.17,597 1,598 0.65,599 102.135,600 -0.169,601 0.046,602 -0.012,603 0.111,604 -0.182,605 0.091,606 0.167,607 0.068,608 0.067,609 0.025,610 0.256,611 0.012,612 -0.033,613 -0.162,614 0.066,615 -0.033,616 0.029,617 -0.058,618 -0.012,619 -0.102,620 -0.068,621 -0.141,622 0.009,623 -0.153,624 -0.079,625 -0.026,626 -0.027,627 -0.022,628 -0.156,629 -0.048,630 -0.032,631 0.225,632 -0.061,633 0.041,634 -0.153,635 -0.028,636 0.001,637 0.051,638 0.092,639 0.169,640 -0.025,641 0.19,642 -0.075,643 -0.111,644 -0.081,645 -0.048,646 -0.045,648 1.413,649 1.965,650 0.727,651 17.058,652 1.009,653 1.136,654 3.541,655 12.539,656 0.694,657 3.219,658 3.555,659 3.784,660 4.007,661 4.248,662 4.22,663 4.234,664 4.317,665 4.431,666 4.419,667 5.867,668 0.653,669 338.27,670 3.219,671 4.762,672 5.602,673 6.475,674 7.331,675 8.204,676 9.066,677 9.939,678 10.804,679 11.677,680 12.8,684 2,685 1,690 2,695 3,696 2,700 7,702 12,711 2,712 1,717 2,718 39,719 12,720 1,721 24,723 41,724 15,725 10,726 3,727 3,729 3,730 4,731 2,736 3,737 1,739 3,741 10,742 5,743 1,753 1,754 1,757 17,758 5,759 5,760 7,761 2,764 5,769 0.667,776 1,781 3,785 1,802 2,807 2,810 22,811 2,816 4,817 1,820 1,828 2,836 11.667,837 6.686,838 4.75,839 2.258,840 2.217,841 1.321,842 1.002,843 4.613,844 9.131,845 3.434,846 4.043,847 4.549,848 5.043,849 5.531,850 5.544,851 5.507,852 5.699,853 5.995,854 6.14,855 0.857,856 34,857 8.077,859 3.432,860 7.76,861 15.449,863 12.878,865 2.26,866 49.722,870 141.253,871 58.065,872 117.376,873 78.297,877 58.065,878 219.551,879 117.376,881 9.709,882 94.223,883 51.582,884 15.7,885 4.227,886 141.253,887 78.297,888 141.253,889 175.442,891 78.297,893 129.482,894 11.771,897 14.365,898 109.495,899 129.879,901 141.253,902 117.376,903 136.363,906 141.253,907 29.637,908 28.429,909 18.011,910 177.663,911 141.253,912 117.376,913 136.363,915 0.592,916 0.34,917 0.173,918 0.098,919 17,920 8,921 0.073,922 3,923 1,924 1.125,925 3.445,926 168.577,927 0.125,928 16,929 98.107,933 15.654,934 6.484,935 3.587,937 117.376,938 5.541,939 8.336,943 4.833,945 83.805,946 394.992,947 30,956 39.342,957 44.286,958 0.313,959 0.711,960 0.861,961 0.932,962 0.942,963 0.942,964 4.682,965 1.009,966 5.602,967 3.526,968 4.234,969 4.727,970 0.278,971 6.392,972 4.097,973 5.893,974 0.775,975 7.155,976 2.565,977 3.892,978 4.62,980 7.222,981 3.633,982 7.203,983 0.179,984 8.801,985 1.832,986 5.82,987 6.9,988 0.05,989 10.283,990 5.582,991 8.542,992 -0.057,993 10.497,994 0.41,995 6.217,996 7.532,998 11.89,999 5.869,1000 9.908,1001 -0.439,1002 12.225,1003 -0.135,1004 7.66,1005 9.349,1006 0.008,1007 14.487,1008 7.332,1009 11.292,1010 -0.573,1011 13.975,1012 -1.144,1013 8.411,1014 10.337,1016 16.46,1017 8,1018 12.692,1019 -0.808,1020 15.743,1021 -1.506,1022 9.653,1023 11.952,1024 0.001,1025 18.882,1026 9.246,1027 3.079,1028 -0.819,1029 17.525,1030 -2.035,1031 10.583,1032 13.126,1034 21.034,1035 10.118,1036 2.83,1037 10.175,1038 19.319,1039 -2.396,1040 11.74,1041 14.639,1043 23.387,1044 11.267,1045 2.435,1046 8.326,1047 21.122,1048 4.091,1049 12.759,1050 15.912,1052 25.625,1053 12.244,1054 2.18,1055 6.957,1056 22.934,1057 3.869,1058 13.882,1059 17.371,1061 27.952,1062 13.352,1063 2.028,1064 6.325,1065 24.754,1066 2.857,1067 14.945,1068 18.699,1070 30.231,1071 14.383,1072 1.944,1073 5.8,1074 26.58,1075 2.807,1076 16.056,1077 20.128,1079 32.549,1080 15.475,1081 1.414,1082 5.73,1083 28.412,1084 2.563,1085 17.142,1086 21.486,1088 34.847,1089 16.534,1090 5053,1091 9347,1092 15.72,1093 27.074,1094 35.888,1095 37.073,1096 37.079,1097 35.982,1098 35.746,1099 45.051,1100 0.8,1101 103.289,1102 32.966,1103 5.362,1104 5.316,1105 5.879,1106 5.12,1107 5.079,1108 7.091,1109 0.8,1110 17.069,1111 4.99,1112 11.856,1113 1.495,1114 1.545,1115 1.545,1116 1.499,1117 1.489,1118 1.877,1119 0.033,1120 4.304,1121 1.374,1122 4.007,1123 4.053,1124 4.116,1125 3.902,1126 5.282,1127 3.903,1128 3.895,1129 3.92,1130 3.932,1131 3.829,1132 5.046,1133 3.825,1134 3.576,1135 3.647,1136 3.52,1137 3.391,1138 4.978,1139 3.405,1140 3.238,1141 3.323,1142 3.401,1143 3.046,1144 4.494,1145 3.042,1146 3.139,1147 3.244,1148 3.303,1149 2.909,1150 4.474,1151 2.916,1152 2.924,1153 3.02,1154 3.025,1155 2.794,1156 4.372,1157 2.77,1158 2.877,1159 2.922,1160 2.93,1161 2.734,1162 4.031,1163 2.731,1164 2.8,1165 2.902,1166 2.607,1167 2.5,1168 3.789,1169 2.512,1170 0.184,1171 0.138,1172 0.271,1173 0.169,1174 0.128,1175 4.417,1176 0.17,1177 3.316,1178 0.017,1179 6.502,1180 0.424,1181 4.048,1182 0.125,1183 3.079,1184 4.091,1185 0.4,1186 10.175,1187 2.99,1188 1.952,1189 1.912,1190 2.091,1191 2.092,1192 1.45,1193 2.092,1194 1.866,1195 1.845,1196 1.929,1197 1.954,1198 1.066,1199 1.959,1200 1.519,1201 1.455,1202 1.666,1203 1.741,1204 0.84,1205 1.733,1206 1.217,1207 1.136,1208 1.513,1209 1.457,1210 0.746,1211 1.48,1212 1.064,1213 0.979,1214 1.334,1215 1.394,1216 0.399,1217 1.384,1218 0.875,1219 0.824,1220 1.21,1221 1.19,1222 0.172,1223 1.22,1224 0.861,1225 0.791,1226 1.106,1227 1.052,1228 0.085,1229 1.074,1230 0.752,1231 0.64,1232 1.046,1233 1.008,1234 0.014,1235 1.043,1236 3.892,1238 5.22,1240 6.742,1242 8.354,1244 10.014,1247 11.939,1250 11.605,1252 3.605,1253 3.395,1256 0.469,1262 25.45,1263 64.431,1264 146.482,1265 177.376,1266 192.131,1267 194.131,1268 194.131,1269 34.22,1270 6.914,1271 89.85,1272 89.85,1273 18,1274 12.22,1275 3.7,1276 2.807,1277 34.712,1278 78,1279 70,1280 0.22,1281 165.548,1282 278.76,1283 395.698,1284 8818,1285 5.1,1286 15.69,1287 0.713,1288 0.612,1289 16.69,1290 13.455,1291 10.525,1292 0.439,1293 0.328,1294 7.114,1295 9.687,1296 6.906,1297 5.679,1298 11.102,1299 7.879,1300 9.868,1301 0.29,1302 0.186,1303 10.609,1304 6.325,1305 8.057,1306 0.187,1307 0.109,1308 8.971,1309 4.678,1310 6.426,1311 0.119,1312 0.057,1313 6.827,1314 3.071,1315 5.272,1316 0.076,1317 0.033,1318 5.653,1319 2.286,1320 0.348,1321 71.348,1322 0.252,1323 21.856,1324 0.593,1325 116,1326 314.654,1327 155.143,1328 373.914,1329 492.91,1330 346,1331 135,1332 321.74,1333 169.723,1334 347.321,1335 506.31,1336 327,1337 6.824}
{0 CHEMBL121264,1 1.391,2 10.208,3 3.137,4 9.842,5 100.282,6 7.099,7 0.63,8 3.908,9 4.051,10 3.439,11 3.474,12 4.982,13 3.443,14 4.429,15 4.608,16 3.806,17 3.899,18 5.451,19 3.832,20 4.733,21 4.961,22 3.864,23 4.052,24 5.626,25 3.955,26 4.799,27 5.053,28 3.736,29 4.004,30 5.702,31 3.875,32 4.769,33 5.048,34 3.524,35 3.898,36 5.605,37 3.743,38 4.653,39 4.946,40 3.348,41 3.774,42 5.452,43 3.599,44 4.509,45 4.798,46 3.317,47 3.698,48 5.244,49 3.537,50 4.359,51 4.614,52 3.325,53 3.623,54 5.229,55 3.484,56 0.063,57 0.709,58 9.835,59 3.786,60 10.63,61 5.397,62 0.176,63 1.138,64 17.283,65 7.12,66 22.398,67 10.025,68 0.171,69 1.431,70 24.781,71 8.969,72 21.546,73 13.27,74 0.267,75 1.471,76 27.33,77 9.338,78 36.695,79 14.011,80 0.265,81 1.362,82 27.28,83 8.802,84 36.553,85 13.473,86 0.302,87 1.177,88 24.608,89 8.496,90 37.334,91 12.72,92 0.149,93 1.009,94 20.993,95 7.932,96 21.804,97 11.755,98 0.118,99 0.919,100 17.389,101 6.87,102 19.629,103 10.021,104 5,105 38,106 0.239,107 0.61,108 0.756,109 0.846,110 0.882,111 0.898,112 3.228,113 0.925,114 -4.82,115 -4.73,116 -4.44,119 42.2,121 3,122 1,125 1,139 7,140 3,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 13,169 1,170 3,172 3,173 3,175 4,178 15,180 1,182 3,187 6,189 11,191 1,193 3,195 1,196 1,197 1,198 9,200 2,201 7,204 4,205 1,207 1,212 4,215 9,218 3,224 2,225 1,226 1,228 1,229 13,231 1,241 13,246 4,250 1,251 2,253 1,254 8,256 2,260 6,265 3,268 2,270 3,273 722,274 16.447,275 16.447,276 16.447,277 16.447,278 16.447,279 14.331,280 18.107,281 9.694,282 16.68,283 13.353,284 13.353,285 13.353,286 13.353,287 13.353,288 10.211,289 24.721,290 4.613,291 13.743,292 4.101,293 1.943,294 1.092,295 0.567,296 0.356,297 0.267,298 3.932,300 1,301 1,302 1,303 544,304 2.449,307 226.72,311 193.163,314 1.458,315 16.165,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 50.5,327 245,328 4.493,329 3.269,330 6.508,331 4.053,332 3.081,333 4.43,334 0.4,335 10.202,336 3.011,337 4.416,338 3.078,339 6.5,340 4.017,341 3.028,342 4.091,344 10.168,345 2.983,346 3.593,347 2.501,348 5.339,349 3.391,350 2.423,351 2.917,353 6.929,354 2.347,355 3.496,356 2.258,357 5.172,358 3.079,359 2.117,360 2.829,362 6.198,363 2.042,364 3.326,365 2.221,366 5.062,367 2.966,368 2.023,369 2.563,371 5.8,372 1.896,373 3.2,374 2.062,375 4.966,376 2.897,377 1.941,378 2.427,380 5.732,381 1.848,382 3.118,383 1.618,384 4.167,385 2.618,386 1.618,387 2.285,389 3.801,390 1.618,391 2.77,392 1.314,393 3.71,394 2.275,395 1.277,396 1.903,398 2.853,399 1.274,400 2.402,401 1.284,402 3.601,403 2.015,404 1.041,405 1.366,407 2.565,408 1.011,409 2.093,410 1.149,411 3.419,412 1.974,413 1,414 1.067,415 2.369,416 0.971,417 1.802,418 0.703,419 3.125,420 1.56,421 0.592,422 0.701,423 1.402,424 0.572,425 1.272,426 0.187,427 2.733,428 0.983,429 0.034,430 0.04,431 0.086,432 0.033,433 0.994,434 -0.249,435 2.569,436 0.599,437 -0.366,438 -0.469,439 -0.925,440 -0.351,441 0.882,442 -0.309,443 2.448,444 0.473,445 -0.459,446 -0.566,448 -1.169,449 -0.426,450 0.85,451 -0.548,452 2.301,453 0.382,454 -0.618,455 -0.863,457 -1.478,458 -0.618,459 11.5,460 0.479,461 0.554,462 0.023,463 33,464 1.375,465 17.5,466 0.729,467 15.5,468 0.646,469 18.23,470 0.76,471 25.1,472 0.558,473 21.331,474 0.889,475 6.184,476 0.258,477 5.52,478 0.23,479 0.07,481 0.348,485 1.167,486 1.113,487 0.874,488 0.903,489 1.239,490 0.864,491 0.543,492 1.011,493 0.87,494 1.057,495 0.432,496 1.01,497 1.011,498 1.14,499 0.988,500 1.062,501 0.789,502 1.029,503 1.075,504 1.102,505 1.123,506 1.128,507 0.889,508 1.13,509 1.302,510 0.992,511 1.171,512 1.031,513 1.341,514 1.077,515 0.929,516 0.712,517 1.062,518 0.919,519 1.118,520 0.99,521 0.638,522 0.801,523 0.836,524 0.884,525 0.659,526 0.882,527 0.527,528 1.009,529 0.902,530 1.086,531 0.669,532 1.045,533 4.5,534 0.103,535 2.667,536 1.5,537 1.493,538 0.444,539 0.283,540 0.236,541 0.209,542 0.177,543 6919,544 16013,545 2.161,546 46.7,547 4,548 9,551 5,552 2,553 1,555 1.665,556 2.057,557 3.309,558 2.578,559 1,560 1,564 62.574,565 1.391,566 3.549,567 4.399,568 4.925,569 5.136,570 5.225,571 2.709,572 4.054,573 4.563,574 3.451,575 952.501,576 7.851,577 11218.6,579 1,581 1,582 247.133,583 1.281,584 4.532,585 0.167,586 0.006,587 0.07,588 0.038,589 0.047,590 0.018,591 0.013,592 0.011,593 0.009,594 0.009,595 0.389,596 0.17,597 1,598 0.49,599 114.344,600 -0.165,601 0.084,602 0.026,603 0.121,604 -0.189,605 0.1,606 0.303,607 0.091,608 0.041,609 -0.021,610 0.285,611 -0.02,612 -0.077,613 -0.115,614 -0.037,615 -0.065,616 -0.032,617 -0.05,618 -0.03,619 -0.105,620 -0.146,621 -0.164,622 0.015,623 -0.167,624 -0.215,625 -0.031,626 -0.174,627 -0.083,628 -0.26,629 -0.117,630 0.032,631 0.207,632 -0.064,633 0.049,634 -0.12,635 -0.007,636 0.043,637 0.076,638 0.139,639 0.138,640 0.029,641 0.147,642 0.148,643 -0.079,644 0.048,645 -0.054,646 0.1,647 -0.021,648 1.39,649 2.035,650 0.833,651 17.924,652 0.991,653 1.129,654 3.586,655 12.857,656 0.669,657 3.332,658 3.664,659 3.951,660 4.234,661 4.477,662 4.466,663 4.543,664 4.635,665 4.779,666 4.754,667 6.008,668 0.629,669 319.45,670 3.332,671 4.875,672 5.733,673 6.616,674 7.487,675 8.372,676 9.247,677 10.131,678 11.008,679 11.891,680 11.1,684 2,685 1,690 2,694 2,695 7,696 2,700 5,702 17,711 2,712 1,718 45,719 17,720 2,721 27,723 48,724 19,725 14,726 3,727 7,729 4,730 6,736 3,737 1,739 3,741 14,742 5,743 1,753 1,754 1,757 21,758 5,759 5,760 5,764 5,769 0.5,776 1,781 4,785 2,802 2,810 24,811 2,816 4,817 1,820 1,836 11.667,837 7.733,838 5.194,839 2.693,840 3.439,841 1.458,842 1.041,843 3.987,844 10.945,845 3.597,846 4.234,847 4.842,848 5.435,849 5.977,850 6.132,851 6.384,852 6.68,853 7.021,854 6.832,855 0.857,856 39,857 8.847,859 3.794,860 7.563,861 17.291,863 14.714,865 2.063,866 49.5,869 1,870 188.338,871 94.115,872 117.376,877 94.115,878 188.338,879 117.376,881 9.709,882 132.128,883 51.582,884 13.845,885 4.227,886 188.338,888 188.338,889 211.491,893 176.567,894 11.771,897 14.365,898 145.544,899 51.582,901 188.338,902 117.376,903 94.115,906 188.338,907 27.781,908 66.334,909 18.011,910 99.365,911 188.338,912 117.376,913 94.115,915 0.583,916 0.345,917 0.196,918 0.108,919 20,920 8,921 0.063,922 3,923 2,924 1.2,925 3.693,926 199.238,927 0.2,928 20,929 108.039,933 15.218,934 6.289,935 3.051,936 2.511,937 117.376,938 14.806,939 8.439,943 4.077,945 83.805,946 399.829,947 35.5,956 44.578,957 50.813,958 0.253,959 0.646,960 0.801,961 0.897,962 0.935,963 0.951,964 4.83,965 1.277,966 5.714,967 3.801,968 4.344,969 4.92,970 0.278,971 6.524,972 4.29,973 6.039,974 1.041,975 7.268,976 2.853,977 3.892,978 4.745,980 7.402,981 3.807,982 7.349,983 1,984 8.921,985 2.565,986 5.932,987 7.169,988 0.05,989 10.513,990 5.832,991 8.696,992 0.592,993 10.634,994 2.369,995 6.293,996 7.834,998 12.23,999 6.17,1000 10.075,1001 0.034,1002 12.386,1003 1.402,1004 7.8,1005 9.733,1006 0.008,1007 14.848,1008 7.664,1009 11.478,1010 -0.366,1011 14.165,1012 0.086,1013 8.558,1014 10.812,1016 16.917,1017 8.403,1018 12.901,1019 -0.459,1020 15.964,1021 -0.925,1022 9.837,1023 12.48,1024 0.001,1025 19.357,1026 9.668,1027 3.081,1028 -0.618,1029 17.778,1030 -1.169,1031 10.789,1032 13.762,1034 21.573,1035 10.6,1036 3.028,1037 10.202,1038 19.604,1039 -1.478,1040 11.971,1041 15.324,1043 23.943,1044 11.767,1045 2.423,1046 10.168,1047 21.439,1048 4.43,1049 13.013,1050 16.705,1052 26.22,1053 12.79,1054 2.117,1055 6.929,1056 23.281,1057 4.091,1058 14.155,1059 18.217,1061 28.562,1062 13.915,1063 2.023,1064 6.198,1065 25.13,1066 2.917,1067 15.238,1068 19.645,1070 30.864,1071 14.979,1072 1.941,1073 5.8,1074 26.983,1075 2.829,1076 16.364,1077 21.135,1079 33.194,1080 16.087,1081 1.618,1082 5.732,1083 28.84,1084 2.563,1085 17.465,1086 22.586,1088 35.507,1089 17.169,1090 6448,1091 9907,1092 18.493,1093 30.12,1094 40.49,1095 40.658,1096 41.213,1097 40.366,1098 40.35,1099 53.238,1100 0.8,1101 116.213,1102 39.212,1103 5.439,1104 5.269,1105 6.197,1106 5.125,1107 5.081,1108 7.43,1109 0.8,1110 17.096,1111 5.011,1112 8.834,1113 1.5,1114 1.506,1115 1.526,1116 1.495,1117 1.494,1118 1.972,1119 0.03,1120 4.304,1121 1.452,1122 4.094,1123 4.122,1124 4.046,1125 4.045,1126 5.282,1127 4.042,1128 3.978,1129 4.022,1130 3.926,1131 3.866,1132 4.978,1133 3.873,1134 3.6,1135 3.672,1136 3.499,1137 3.429,1138 4.909,1139 3.437,1140 3.46,1141 3.512,1142 3.354,1143 3.353,1144 4.468,1145 3.35,1146 3.238,1147 3.322,1148 3.093,1149 3.057,1150 4.367,1151 3.055,1152 3.144,1153 3.247,1154 3.013,1155 2.95,1156 4.146,1157 2.946,1158 2.997,1159 3.075,1160 2.856,1161 2.806,1162 3.914,1163 2.818,1164 2.835,1165 2.953,1166 2.598,1167 2.577,1168 3.729,1169 2.563,1170 0.166,1171 0.121,1172 0.241,1173 0.15,1174 0.114,1175 4.493,1176 0.164,1177 3.269,1178 0.015,1179 6.508,1180 0.378,1181 4.053,1182 0.112,1183 3.081,1184 4.43,1185 0.4,1186 10.202,1187 3.011,1188 2.073,1189 2.052,1190 2.158,1191 2.14,1192 1.452,1193 2.147,1194 1.94,1195 1.899,1196 2.079,1197 2.076,1198 1.283,1199 2.076,1200 1.549,1201 1.49,1202 1.706,1203 1.771,1204 0.864,1205 1.759,1206 1.463,1207 1.414,1208 1.64,1209 1.604,1210 0.747,1211 1.623,1212 1.225,1213 1.147,1214 1.517,1215 1.457,1216 0.689,1217 1.482,1218 1.098,1219 1.028,1220 1.354,1221 1.397,1222 0.428,1223 1.389,1224 0.979,1225 0.897,1226 1.246,1227 1.219,1228 0.302,1229 1.247,1230 0.802,1231 0.675,1232 1.186,1233 1.117,1234 0.081,1235 1.149,1236 4.007,1238 5.333,1240 6.868,1242 8.502,1244 10.187,1250 11.725,1252 3.811,1253 3.613,1256 0.519,1262 28.321,1263 62.574,1264 159.691,1265 197.972,1266 221.624,1267 231.133,1268 235.133,1269 30.41,1270 7.506,1271 89.85,1272 89.85,1273 24,1274 12.426,1275 4.17,1276 3.248,1277 34.017,1278 89,1279 76,1280 0.19,1281 174.004,1282 289,1283 416.329,1284 19727,1286 16.518,1287 0.688,1288 0.562,1289 16.518,1290 13.496,1291 11.704,1292 0.433,1293 0.308,1294 8.259,1295 11.436,1296 8.089,1297 6.692,1298 11.704,1299 8.329,1300 10.634,1301 0.28,1302 0.169,1303 10.634,1304 6.409,1305 9.036,1306 0.177,1307 0.094,1308 9.036,1309 4.795,1310 7.913,1311 0.116,1312 0.052,1313 7.913,1314 3.538,1315 6.551,1316 0.075,1317 0.03,1318 6.551,1319 2.615,1320 0.299,1321 72.069,1322 0.233,1323 23.45,1324 0.516,1325 130,1326 296.248,1327 138.104,1328 301.936,1329 428.91,1330 284,1331 154,1332 332.014,1333 161.66,1334 340.799,1335 498.49,1336 323,1337 6.857}
{0 CHEMBL121319,1 1.652,2 9.455,3 3.558,4 12.657,5 93.441,6 8.674,7 0.5,8 3.774,9 3.91,10 3.457,11 3.341,12 4.888,13 3.311,14 4.296,15 4.468,16 3.873,17 3.768,18 5.393,19 3.699,20 4.602,21 4.817,22 3.961,23 3.917,24 5.595,25 3.814,26 4.646,27 4.893,28 3.796,29 3.841,30 5.621,31 3.703,32 4.581,33 4.848,34 3.727,35 3.733,36 5.521,37 3.576,38 4.453,39 4.727,40 3.46,41 3.616,42 5.363,43 3.448,44 4.324,45 4.59,46 3.481,47 3.543,48 5.21,49 3.373,50 4.067,51 4.283,52 3.451,53 3.375,54 5.149,55 3.234,56 0.074,57 0.603,58 6.851,59 3.07,60 10.439,61 4.115,62 0.175,63 0.938,64 13.748,65 6.023,66 21.951,67 8.116,68 0.3,69 1.125,70 25.309,71 7.956,72 30.916,73 10.873,74 0.406,75 1.108,76 28.893,77 8.353,78 45.339,79 11.554,80 0.426,81 1.009,82 31.456,83 7.787,84 50.548,85 10.775,86 0.378,87 0.867,88 25.021,89 7.219,90 44.381,91 10.012,92 0.279,93 0.705,94 25.945,95 7.06,96 31.93,97 9.556,98 0.224,99 0.56,100 20.905,101 5.422,102 25.641,103 7.026,104 17,105 34,106 0.297,107 0.676,108 0.819,109 0.887,110 0.896,111 0.896,112 3.146,113 0.985,114 -4.77,115 -4.68,116 -4.4,119 38.5,121 3,122 1,125 1,139 3,140 1,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 3,172 3,173 3,175 3,178 8,180 1,182 3,187 5,189 6,191 1,193 3,195 1,196 1,197 1,198 8,200 2,201 1,204 4,205 1,207 1,212 3,215 5,218 3,224 2,225 1,226 1,228 1,229 8,231 1,241 8,246 2,250 1,251 1,253 1,254 4,256 1,260 4,265 2,270 2,273 600,274 14.533,275 14.533,276 14.533,277 14.533,278 14.533,279 12.875,280 19.642,281 8.431,282 15.014,283 11.832,284 11.832,285 11.832,286 11.832,287 11.832,288 9.377,289 24.459,290 4.031,291 12.733,292 3.633,293 1.529,294 0.737,295 0.359,296 0.308,297 0.308,298 3.825,299 2,300 1,301 1,302 1,303 444,304 2.449,307 180.587,311 93.397,314 1.504,315 21.477,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 47.167,327 208,328 4.417,329 3.272,330 6.502,331 4.049,332 3.079,333 4.091,334 0.4,335 10.175,336 2.99,337 4.232,338 3.222,339 6.066,340 3.781,341 2.859,342 3.881,344 8.746,345 2.6,346 3.572,347 2.766,348 5.31,349 3.37,350 2.405,351 2.837,353 6.874,354 2.317,355 3.446,356 2.491,357 5.062,358 2.986,359 2.101,360 2.758,362 5.804,363 1.9,364 3.329,365 2.222,366 4.971,367 2.944,368 2.037,369 2.564,371 5.764,372 1.861,373 3.219,374 2.192,375 4.917,376 2.896,377 1.96,378 2.311,380 5.651,381 1.685,382 2.867,383 1.866,384 4.232,385 2.446,386 1.523,387 1.993,389 3.955,390 1.342,391 2.094,392 1.303,393 3.71,394 1.983,395 1.008,396 1.069,398 2.565,399 0.981,400 1.882,401 0.915,402 3.277,403 1.67,404 0.723,405 0.814,407 1.726,408 0.677,409 1.395,410 0.811,411 2.772,412 1.042,413 0.18,414 0.208,415 0.41,416 0.13,417 1.171,418 0.196,419 2.607,420 0.781,421 -0.056,422 -0.065,423 -0.134,424 -0.044,425 0.871,426 -0.077,427 2.477,428 0.483,429 -0.439,430 -0.544,431 -1.144,432 -0.395,433 0.691,434 -0.287,435 2.367,436 0.331,437 -0.59,438 -0.689,439 -1.598,440 -0.452,441 0.339,442 -0.478,443 2.206,444 0.148,445 -0.815,446 -0.864,448 -2.138,449 -0.647,450 0.265,451 -0.582,452 1.903,453 0.059,454 -0.901,455 -1.035,457 -2.407,458 -0.784,459 10.929,460 0.497,461 0.647,462 0.029,463 28,464 1.273,465 13.5,466 0.614,467 14.5,468 0.659,469 18.756,470 0.853,471 23.871,472 0.612,473 17.412,474 0.791,475 5.122,476 0.233,477 5.403,478 0.246,479 0.204,481 0.366,485 0.894,486 1.218,487 0.579,488 0.771,489 0.997,490 0.789,491 0.541,492 1.075,493 0.593,494 0.903,495 0.393,496 0.924,497 0.949,498 1.199,499 0.889,500 1.039,501 0.804,502 1.037,503 0.953,504 1.077,505 0.955,506 1.08,507 0.894,508 1.115,509 1.012,510 0.965,511 0.847,512 0.929,513 1.153,514 1.022,515 0.909,516 0.696,517 0.904,518 0.877,519 1.094,520 0.987,521 1.013,522 0.794,523 1.093,524 0.92,525 0.97,526 0.901,527 1.283,528 1.015,529 1.482,530 1.185,531 1.25,532 1.075,533 5.5,534 0.099,535 2.667,536 1.5,537 1.631,538 0.465,539 0.304,540 0.295,541 0.23,542 0.171,543 5068,544 16648,545 2.043,546 43.6,547 4,548 5,551 5,552 2,553 1,555 1.641,556 1.886,557 3.22,558 2.779,560 1,562 1,564 64.431,565 1.652,566 3.756,567 4.548,568 4.926,569 4.978,570 4.978,571 2.704,572 4.152,573 4.435,574 3.373,575 779.135,576 7.598,577 8630.78,578 1,579 1,580 1,581 1,582 206.131,583 1.495,584 4.376,585 0.229,586 0.009,587 0.078,588 0.044,589 0.06,590 0.021,591 0.016,592 0.016,593 0.013,594 0.011,595 0.497,596 0.17,597 1,598 0.65,599 101.653,600 -0.169,601 0.046,602 -0.012,603 0.111,604 -0.182,605 0.091,606 0.167,607 0.068,608 0.067,609 0.025,610 0.265,611 0.012,612 -0.075,613 -0.169,614 -0.043,615 -0.09,616 -0.025,617 -0.081,618 -0.041,619 -0.1,620 -0.088,621 -0.142,622 -0.022,623 -0.156,624 -0.094,625 -0.02,626 0.022,627 0.006,628 -0.162,629 -0.055,630 -0.036,631 0.233,632 -0.042,633 0.074,634 -0.156,636 -0.073,637 0.051,638 0.014,639 0.13,640 -0.083,641 0.152,642 -0.122,643 -0.117,644 -0.148,645 -0.099,646 -0.121,647 -0.047,648 1.418,649 2.051,650 0.727,651 16.479,652 1.009,653 1.136,654 3.541,655 12.539,656 0.694,657 3.219,658 3.555,659 3.784,660 4.025,661 4.263,662 4.22,663 4.234,664 4.317,665 4.466,666 4.443,667 5.7,668 0.653,669 338.27,670 3.219,671 4.762,672 5.602,673 6.479,674 7.335,675 8.211,676 9.074,677 9.949,678 10.815,679 11.691,680 12.8,684 2,685 1,690 2,695 3,696 2,700 7,702 12,711 2,712 1,717 2,718 39,719 12,720 1,721 24,723 41,724 15,725 10,726 3,727 3,729 3,730 4,731 2,736 3,737 1,739 3,741 10,742 5,743 1,753 1,754 1,757 17,758 5,759 5,760 7,761 2,764 5,769 0.667,776 1,781 3,785 1,802 2,807 2,810 22,811 2,816 4,817 1,820 1,828 2,836 11.667,837 6.686,838 4.75,839 2.258,840 2.253,841 1.326,842 1.002,843 4.613,844 9.167,845 3.434,846 4.043,847 4.549,848 5.053,849 5.537,850 5.529,851 5.492,852 5.699,853 6.019,854 6.161,855 1,856 34,857 8.079,859 3.434,860 7.76,861 15.449,863 12.878,865 2.26,866 49.722,870 141.253,871 58.065,872 117.376,873 78.297,877 58.065,878 219.551,879 117.376,881 9.709,882 94.223,883 51.582,884 15.7,885 4.227,886 141.253,887 78.297,888 141.253,889 175.442,891 78.297,893 129.482,894 11.771,897 14.365,898 109.495,899 129.879,901 141.253,902 117.376,903 136.363,906 141.253,907 29.637,908 28.429,909 18.011,910 177.663,911 141.253,912 117.376,913 136.363,915 0.591,916 0.338,917 0.178,918 0.102,919 17,920 8,921 0.073,922 3,923 1,924 1.125,925 3.426,926 169.623,927 0.125,928 16,929 98.107,933 15.654,934 6.484,935 3.587,937 117.376,938 5.393,939 8.332,943 4.907,945 83.805,946 394.992,947 30,956 39.342,957 44.286,958 0.313,959 0.711,960 0.861,961 0.932,962 0.942,963 0.942,964 4.682,965 1.008,966 5.602,967 3.955,968 4.234,969 4.727,970 0.278,971 6.395,972 4.097,973 5.893,974 0.723,975 7.155,976 2.565,977 3.892,978 4.62,980 7.235,981 3.633,982 7.203,983 0.18,984 8.801,985 1.726,986 5.82,987 6.9,988 0.05,989 10.302,990 5.585,991 8.542,992 -0.056,993 10.499,994 0.41,995 6.217,996 7.532,998 11.928,999 5.881,1000 9.908,1001 -0.439,1002 12.23,1003 -0.134,1004 7.662,1005 9.35,1006 0.008,1007 14.529,1008 7.343,1009 11.293,1010 -0.59,1011 13.984,1012 -1.144,1013 8.417,1014 10.34,1016 16.518,1017 8.022,1018 12.694,1019 -0.815,1020 15.756,1021 -1.598,1022 9.662,1023 11.956,1024 0.001,1025 18.94,1026 9.267,1027 3.079,1028 -0.901,1029 17.543,1030 -2.138,1031 10.597,1032 13.133,1034 21.1,1035 10.146,1036 2.859,1037 10.175,1038 19.342,1039 -2.407,1040 11.757,1041 14.646,1043 23.45,1044 11.294,1045 2.405,1046 8.746,1047 21.151,1048 4.091,1049 12.78,1050 15.922,1052 25.689,1053 12.274,1054 2.101,1055 6.874,1056 22.969,1057 3.881,1058 13.905,1059 17.381,1061 28.012,1062 13.38,1063 2.037,1064 5.804,1065 24.793,1066 2.837,1067 14.972,1068 18.71,1070 30.288,1071 14.412,1072 1.96,1073 5.764,1074 26.624,1075 2.758,1076 16.084,1077 20.14,1079 32.602,1080 15.502,1081 1.523,1082 5.651,1083 28.459,1084 2.564,1085 17.172,1086 21.498,1088 34.896,1089 16.561,1090 4941,1091 9059,1092 15.72,1093 27.074,1094 35.904,1095 37.055,1096 37.095,1097 36,1098 35.748,1099 45.051,1100 0.8,1101 103.341,1102 32.964,1103 5.362,1104 5.272,1105 5.846,1106 5.12,1107 5.079,1108 7.091,1109 0.8,1110 17.069,1111 4.99,1112 11.725,1113 1.496,1114 1.544,1115 1.546,1116 1.5,1117 1.489,1118 1.877,1119 0.033,1120 4.306,1121 1.373,1122 4.007,1123 4.053,1124 4.088,1125 3.902,1126 5.282,1127 3.903,1128 3.895,1129 3.92,1130 3.929,1131 3.828,1132 5.017,1133 3.825,1134 3.576,1135 3.647,1136 3.637,1137 3.389,1138 4.978,1139 3.403,1140 3.234,1141 3.323,1142 3.479,1143 3.039,1144 4.67,1145 3.034,1146 3.137,1147 3.244,1148 3.098,1149 2.906,1150 4.466,1151 2.91,1152 2.925,1153 3.021,1154 3.01,1155 2.844,1156 4.203,1157 2.821,1158 2.893,1159 2.918,1160 2.838,1161 2.704,1162 3.942,1163 2.703,1164 2.796,1165 2.902,1166 2.728,1167 2.499,1168 3.841,1169 2.511,1170 0.184,1171 0.136,1172 0.271,1173 0.169,1174 0.128,1175 4.417,1176 0.17,1177 3.272,1178 0.017,1179 6.502,1180 0.424,1181 4.049,1182 0.125,1183 3.079,1184 4.091,1185 0.4,1186 10.175,1187 2.99,1188 1.952,1189 1.912,1190 2.09,1191 2.092,1192 1.45,1193 2.091,1194 1.865,1195 1.845,1196 1.924,1197 1.952,1198 1.065,1199 1.957,1200 1.52,1201 1.455,1202 1.67,1203 1.743,1204 0.841,1205 1.735,1206 1.218,1207 1.136,1208 1.516,1209 1.462,1210 0.746,1211 1.485,1212 1.067,1213 0.978,1214 1.343,1215 1.396,1216 0.406,1217 1.387,1218 0.88,1219 0.827,1220 1.216,1221 1.197,1222 0.174,1223 1.226,1224 0.844,1225 0.79,1226 1.113,1227 1.062,1228 0.081,1229 1.083,1230 0.754,1231 0.639,1232 1.029,1233 0.971,1234 0.008,1235 1.009,1236 3.892,1238 5.22,1240 6.742,1242 8.356,1244 10.019,1247 12.16,1250 11.607,1252 3.52,1253 3.362,1256 0.442,1262 25.45,1263 64.431,1264 146.482,1265 177.376,1266 192.131,1267 194.131,1268 194.131,1269 34.393,1270 6.914,1271 89.85,1272 89.85,1273 18,1274 12.232,1275 3.7,1276 2.807,1277 34.632,1278 76,1279 64,1280 0.226,1281 165.548,1282 278.76,1283 395.698,1284 8818,1285 5.1,1286 15.69,1287 0.713,1288 0.612,1289 16.69,1290 13.455,1291 10.525,1292 0.439,1293 0.328,1294 7.114,1295 9.658,1296 6.907,1297 5.677,1298 11.102,1299 7.879,1300 9.89,1301 0.291,1302 0.187,1303 10.669,1304 6.35,1305 7.937,1306 0.185,1307 0.105,1308 8.579,1309 4.499,1310 6.536,1311 0.119,1312 0.057,1313 7.005,1314 3.148,1315 5.42,1316 0.077,1317 0.035,1318 6.109,1319 2.439,1320 0.355,1321 71.348,1322 0.252,1323 21.744,1324 0.617,1325 116,1326 314.654,1327 155.143,1328 373.84,1329 492.85,1330 346,1331 135,1332 321.74,1333 164.454,1334 347.124,1335 505.52,1336 327,1337 6.62}
{0 CHEMBL121348,1 1.375,2 10.16,3 3.491,4 12.185,5 104.517,6 6.947,7 0.607,8 3.965,9 4.108,10 3.481,11 3.521,12 5.022,13 3.485,14 4.499,15 4.69,16 3.852,17 3.947,18 5.487,19 3.88,20 4.784,21 5.003,22 3.933,23 4.129,24 5.665,25 4.032,26 4.91,27 5.162,28 3.86,29 4.138,30 5.779,31 4.008,32 4.926,33 5.193,34 3.696,35 4.101,36 5.749,37 3.94,38 4.908,39 5.21,40 3.496,41 4.006,42 5.648,43 3.805,44 4.726,45 5.03,46 3.457,47 3.858,48 5.436,49 3.68,50 4.509,51 4.776,52 3.394,53 3.717,54 5.4,55 3.576,56 0.062,57 0.75,58 10.729,59 4.114,60 11.113,61 5.951,62 0.213,63 1.209,64 19.218,65 7.479,66 23.551,67 10.726,68 0.174,69 1.519,70 26.133,71 9.604,72 20.331,73 14.233,74 0.283,75 1.637,76 30.609,77 10.741,78 36.694,79 16.115,80 0.272,81 1.604,82 31.502,83 10.806,84 36.584,85 16.374,86 0.337,87 1.474,88 31.76,89 11.432,90 40.57,91 17.093,92 0.165,93 1.218,94 26.252,95 9.956,96 25.289,97 14.871,98 0.196,99 1.063,100 20.681,101 7.232,102 27.726,103 10.873,104 10,105 40,106 0.233,107 0.6,108 0.757,109 0.84,110 0.874,111 0.888,112 3.267,113 0.933,114 -5.04,115 -4.94,116 -4.63,119 41.7,121 3,122 1,124 1,125 1,139 7,140 3,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 13,169 1,170 6,172 3,173 3,175 1,178 15,180 1,182 8,187 1,189 11,191 1,193 8,195 1,196 1,197 1,198 4,200 2,201 7,204 4,205 1,207 2,212 3,215 9,218 3,220 2,223 1,224 1,226 1,229 13,231 1,241 13,246 4,248 1,249 1,251 2,254 8,256 2,260 6,265 3,268 2,270 3,273 813,274 16.947,275 16.947,276 16.947,277 16.947,278 16.947,279 14.856,280 18.299,281 9.905,282 17.223,283 13.837,284 13.837,285 13.837,286 13.837,287 13.837,288 10.716,289 23.775,290 4.705,291 14.295,292 4.21,293 2.048,294 1.123,295 0.631,296 0.432,297 0.349,298 3.967,300 1,301 1,302 1,303 561,304 2.828,307 239.549,311 204.164,314 1.446,315 15.602,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52.5,327 254,328 4.529,329 3.287,330 6.665,331 4.1,332 3.123,333 4.446,334 0.8,335 10.706,336 3.056,337 4.416,338 3.213,339 6.502,340 4.038,341 3.066,342 4.091,344 10.175,345 2.984,346 3.732,347 2.648,348 5.706,349 3.492,350 2.528,351 3.052,353 7.661,354 2.433,355 3.534,356 2.382,357 5.279,358 3.208,359 2.252,360 2.83,362 6.641,363 2.157,364 3.326,365 2.221,366 5.062,367 2.967,368 2.028,369 2.563,371 5.802,372 1.896,373 3.21,374 2.078,375 4.974,376 2.897,377 1.942,378 2.427,380 5.751,381 1.848,382 3.118,383 1.618,384 4.446,385 2.618,386 1.618,387 2.322,389 4.132,390 1.618,391 2.789,392 1.549,393 3.943,394 2.401,395 1.431,396 1.917,398 3.431,399 1.384,400 2.657,401 1.299,402 3.709,403 2.245,404 1.249,405 1.696,407 2.774,408 1.243,409 2.123,410 1.257,411 3.577,412 1.981,413 1.006,414 1.068,415 2.565,416 0.978,417 2.085,418 0.761,419 3.255,420 1.697,421 0.71,422 0.978,423 1.709,424 0.7,425 1.343,426 0.326,427 2.865,428 1.121,429 0.167,430 0.187,431 0.419,432 0.159,433 1.009,434 -0.196,435 2.655,436 0.601,437 -0.355,438 -0.429,439 -0.954,440 -0.336,441 0.882,442 -0.305,443 2.506,444 0.49,445 -0.452,446 -0.566,448 -1.147,449 -0.424,450 0.882,451 -0.393,452 2.347,453 0.409,454 -0.543,455 -0.668,457 -1.334,458 -0.517,459 12,460 0.48,461 0.644,462 0.026,463 33.75,464 1.35,465 17.5,466 0.7,467 16.25,468 0.65,469 20.372,470 0.815,471 26.4,472 0.55,473 22.728,474 0.909,475 6.348,476 0.254,477 5.766,478 0.231,479 0.108,481 0.367,485 1.119,486 1.223,487 0.882,488 0.985,489 1.229,490 0.921,491 0.708,492 0.931,493 0.858,494 0.944,495 0.412,496 0.922,497 1.019,498 1.171,499 1.016,500 1.097,501 0.782,502 1.063,503 1.016,504 1.071,505 1.081,506 1.097,507 0.806,508 1.097,509 1.2,510 1.049,511 1.204,512 1.124,513 1.238,514 1.158,515 0.789,516 0.757,517 1.033,518 0.966,519 1.018,520 1.015,521 0.498,522 0.867,523 0.758,524 0.899,525 0.499,526 0.864,527 1.03,528 0.937,529 1.053,530 0.999,531 1.172,532 1.023,533 5,534 0.103,535 2.889,536 2,537 1.773,538 0.563,539 0.486,540 0.252,541 0.254,542 0.177,543 7368,544 16720,545 2.13,546 47.9,547 4,548 12,551 4,552 2,553 1,555 1.679,556 2,557 3.309,558 1.697,560 1,564 65.988,565 1.375,566 3.537,567 4.462,568 4.954,569 5.153,570 5.236,571 2.713,572 4.484,573 4.621,574 3.439,575 1031.78,576 7.981,577 12321.9,579 1,581 1,582 268.078,583 1.388,584 4.579,585 0.179,586 0.006,587 0.072,588 0.048,589 0.048,590 0.019,591 0.02,592 0.01,593 0.011,594 0.008,595 0.421,596 0.17,597 1,598 0.553,599 120.01,600 -0.106,601 -0.015,602 0.042,603 0.059,604 -0.171,605 0.065,606 0.258,607 0.186,608 0.085,609 0.083,610 0.301,611 0.068,612 -0.086,613 -0.117,614 -0.065,615 -0.086,616 -0.044,617 -0.075,618 -0.014,619 -0.068,620 -0.108,621 -0.118,622 0.042,623 -0.122,624 -0.203,625 -0.072,626 -0.227,627 -0.153,628 -0.243,629 -0.186,630 0.057,631 0.136,632 -0.049,633 0.014,634 -0.122,635 -0.021,636 0.14,637 -0.017,638 0.215,639 0.117,640 0.153,641 0.164,642 -0.056,643 0.039,644 -0.074,645 -0.02,646 -0.12,647 -0.044,648 1.387,649 2.076,650 0.8,651 18.662,652 0.989,653 1.13,654 3.813,655 14.54,656 0.664,657 3.367,658 3.714,659 4.007,660 4.304,661 4.543,662 4.543,663 4.654,664 4.727,665 4.868,666 4.812,667 5.945,668 0.622,669 333.48,670 3.367,671 4.92,672 5.784,673 6.676,674 7.553,675 8.447,676 9.329,677 10.221,678 11.105,679 11.997,680 10.4,684 2,686 1,690 2,694 2,695 7,696 2,700 5,702 17,711 2,714 1,718 48,719 17,720 2,721 28,723 51,724 20,725 14,726 3,727 7,729 4,730 6,736 3,737 1,739 3,741 14,742 6,743 1,753 1,754 1,757 23,758 5,759 4,760 5,764 5,769 0.5,776 1,781 4,785 2,802 2,806 1,810 25,811 2,816 4,820 1,821 1,836 12.5,837 8.683,838 5.389,839 2.856,840 3.407,841 1.452,842 1.026,843 4.22,844 10.954,845 3.624,846 4.263,847 4.873,848 5.472,849 6.016,850 6.184,851 6.463,852 6.753,853 7.09,854 6.937,855 0.857,856 42,857 9.219,859 3.93,860 7.54,861 18.073,863 15.332,865 2.04,866 51,869 1,870 223.651,871 102.511,872 102.49,877 102.511,878 223.651,879 102.49,880 8.396,881 9.709,882 132.128,883 33.571,884 16.969,885 4.227,886 223.651,888 223.651,889 205.001,893 211.88,894 11.771,897 14.365,898 157.065,899 33.571,901 223.651,902 102.49,903 102.511,906 223.651,907 27.781,908 77.854,910 99.365,911 223.651,912 102.49,913 102.511,915 0.587,916 0.35,917 0.2,918 0.11,919 21,920 9,921 0.059,922 3,923 2,924 1.2,925 3.701,926 214.055,927 0.2,928 20,929 114.096,933 16.16,934 6.528,935 3.142,936 2.563,937 102.49,938 14.998,939 8.491,943 4.193,945 65.794,946 428.652,947 36.5,956 47.461,957 54.228,958 0.246,959 0.633,960 0.799,961 0.887,962 0.923,963 0.938,964 4.869,965 1.431,966 5.778,967 4.132,968 4.394,969 4.949,970 0.673,971 6.608,972 4.333,973 6.083,974 1.249,975 7.347,976 3.431,977 4.007,978 4.796,979 0.325,980 7.526,981 3.9,982 7.398,983 1.006,984 9.015,985 2.774,986 6.004,987 7.193,988 0.379,989 10.649,990 5.887,991 8.747,992 0.71,993 10.742,994 2.565,995 6.415,996 7.87,997 0.268,998 12.395,999 6.26,1000 10.129,1001 0.167,1002 12.507,1003 1.709,1004 7.898,1005 9.757,1006 0.239,1007 15.033,1008 7.733,1009 11.536,1010 -0.355,1011 14.299,1012 0.419,1013 8.691,1014 10.843,1015 0.188,1016 17.128,1017 8.495,1018 12.962,1019 -0.452,1020 16.11,1021 -0.954,1022 9.961,1023 12.505,1024 0.156,1025 19.591,1026 9.752,1027 3.123,1028 -0.543,1029 17.936,1030 -1.147,1031 10.937,1032 13.793,1033 0.125,1034 21.834,1035 10.701,1036 3.066,1037 10.706,1038 19.773,1039 -1.334,1040 12.118,1041 15.353,1042 0.102,1043 24.231,1044 11.866,1045 2.528,1046 10.175,1047 21.62,1048 4.446,1049 13.178,1050 16.738,1051 0.082,1052 26.537,1053 12.9,1054 2.252,1055 7.661,1056 23.474,1057 4.091,1058 14.325,1059 18.251,1060 0.066,1061 28.908,1062 14.029,1063 2.028,1064 6.641,1065 25.334,1066 3.052,1067 15.422,1068 19.682,1069 0.054,1070 31.241,1071 15.102,1072 1.942,1073 5.802,1074 27.199,1075 2.83,1076 16.557,1077 21.175,1078 0.043,1079 33.602,1080 16.216,1081 1.618,1082 5.751,1083 29.067,1084 2.563,1085 17.672,1086 22.629,1087 0.035,1088 35.947,1089 17.307,1090 6914,1091 10518,1092 18.898,1093 31.881,1094 42.437,1095 42.4,1096 43.395,1097 42.302,1098 42.243,1099 55.153,1100 1.6,1101 123.532,1102 40.914,1103 5.474,1104 5.287,1105 6.354,1106 5.171,1107 5.123,1108 7.446,1109 1.2,1110 17.832,1111 5.056,1112 10.832,1113 1.516,1114 1.514,1115 1.55,1116 1.511,1117 1.509,1118 1.97,1119 0.057,1120 4.412,1121 1.461,1122 4.1,1123 4.128,1124 4.052,1125 4.049,1126 5.282,1127 4.046,1128 3.978,1129 4.022,1130 3.926,1131 3.867,1132 4.978,1133 3.873,1134 3.626,1135 3.697,1136 3.528,1137 3.453,1138 4.902,1139 3.462,1140 3.467,1141 3.526,1142 3.36,1143 3.353,1144 4.467,1145 3.351,1146 3.32,1147 3.4,1148 3.172,1149 3.129,1150 4.361,1151 3.13,1152 3.16,1153 3.261,1154 3.017,1155 2.961,1156 4.163,1157 2.954,1158 3.005,1159 3.111,1160 2.856,1161 2.846,1162 3.939,1163 2.839,1164 2.953,1165 3.022,1166 2.74,1167 2.732,1168 3.737,1169 2.728,1170 0.162,1171 0.117,1172 0.238,1173 0.146,1174 0.112,1175 4.529,1176 0.159,1177 3.287,1178 0.029,1179 6.665,1180 0.382,1181 4.1,1182 0.109,1183 3.123,1184 4.446,1185 0.8,1186 10.706,1187 3.056,1188 2.075,1189 2.055,1190 2.161,1191 2.144,1192 1.458,1193 2.151,1194 1.941,1195 1.9,1196 2.08,1197 2.076,1198 1.291,1199 2.076,1200 1.576,1201 1.516,1202 1.751,1203 1.794,1204 0.913,1205 1.787,1206 1.464,1207 1.414,1208 1.64,1209 1.629,1210 0.751,1211 1.642,1212 1.305,1213 1.223,1214 1.581,1215 1.523,1216 0.695,1217 1.552,1218 1.139,1219 1.057,1220 1.467,1221 1.412,1222 0.612,1223 1.42,1224 0.989,1225 0.928,1226 1.29,1227 1.29,1228 0.35,1229 1.317,1230 0.959,1231 0.852,1232 1.233,1233 1.144,1234 0.301,1235 1.182,1236 4.043,1238 5.38,1240 6.925,1242 8.567,1244 10.259,1246 2.167,1250 11.792,1252 3.909,1256 0.533,1257 2.354,1262 29.848,1263 65.988,1264 169.756,1265 214.162,1266 237.814,1267 247.323,1268 251.323,1269 32.378,1270 7.546,1271 81.06,1272 81.06,1273 24,1274 12.526,1275 4.17,1276 3.248,1277 35.992,1278 91,1279 83,1280 0.197,1281 183.596,1282 306.3,1283 439.734,1284 20282,1286 17.389,1287 0.696,1288 0.578,1289 17.389,1290 14.444,1291 12.114,1292 0.433,1293 0.311,1294 8.63,1295 11.809,1296 8.391,1297 6.967,1298 12.114,1299 8.712,1300 11.173,1301 0.279,1302 0.172,1303 11.173,1304 6.88,1305 9.433,1306 0.175,1307 0.095,1308 9.433,1309 5.134,1310 8.381,1311 0.115,1312 0.054,1313 8.381,1314 3.913,1315 6.86,1316 0.074,1317 0.031,1318 6.86,1319 2.846,1320 0.307,1321 74.738,1322 0.23,1323 24.113,1324 0.543,1325 136,1326 307.56,1327 144.465,1328 312.845,1329 444.07,1330 294,1331 162,1332 343.789,1333 170.493,1334 354.422,1335 518,1336 334,1337 6.796}
{0 CHEMBL121433,1 1.623,2 10.043,3 3.911,4 15.297,5 97.676,6 8.388,7 0.48,8 3.839,9 3.975,10 3.498,11 3.393,12 4.932,13 3.359,14 4.375,15 4.563,16 3.917,17 3.821,18 5.428,19 3.754,20 4.66,21 4.865,22 4.111,23 4.014,24 5.659,25 3.907,26 4.769,27 5.02,28 3.831,29 3.968,30 5.686,31 3.825,32 4.758,33 5.032,34 3.688,35 3.901,36 5.61,37 3.737,38 4.712,39 5.002,40 3.562,41 3.825,42 5.546,43 3.626,44 4.492,45 4.771,46 3.515,47 3.658,48 5.338,49 3.48,50 4.22,51 4.453,52 3.504,53 3.47,54 5.302,55 3.335,56 0.055,57 0.642,58 7.832,59 3.408,60 9.297,61 4.693,62 0.202,63 1.004,64 16.329,65 6.43,66 21.395,67 8.843,68 0.285,69 1.226,70 29.273,71 8.636,72 29.652,73 11.819,74 0.379,75 1.286,76 30.707,77 9.564,78 42.853,79 13.604,80 0.356,81 1.229,82 29.844,83 9.354,84 42.866,85 13.562,86 0.444,87 1.07,88 34.737,89 9.859,90 50.099,91 13.841,92 0.275,93 0.842,94 30.317,95 8.406,96 32.367,97 11.624,98 0.273,99 0.681,100 22.075,101 5.502,102 32.472,103 7.406,104 26,105 36,106 0.288,107 0.658,108 0.814,109 0.876,110 0.885,111 0.885,112 3.188,113 0.992,114 -5.01,115 -4.91,116 -4.6,119 38.1,121 3,122 1,124 1,125 1,139 3,140 1,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 6,172 3,173 3,175 1,178 7,180 1,182 6,187 1,189 7,191 1,193 6,195 1,196 1,197 1,198 4,200 2,201 3,204 4,205 1,207 2,212 3,215 5,218 3,220 2,223 1,224 1,226 1,229 7,231 1,241 5,246 4,248 1,249 1,251 2,254 4,256 2,260 2,265 1,268 2,270 1,273 673,274 15.033,275 15.033,276 15.033,277 15.033,278 15.033,279 13.399,280 20.466,281 8.602,282 15.546,283 12.3,284 12.3,285 12.3,286 12.3,287 12.3,288 9.874,289 25.947,290 4.093,291 13.28,292 3.77,293 1.679,294 0.798,295 0.447,296 0.399,297 0.399,298 3.864,299 2,300 1,301 1,302 1,303 492,304 2.828,307 194.489,311 101.651,314 1.44,315 20.306,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 49.167,327 231,328 4.418,329 3.34,330 6.503,331 4.053,332 3.084,333 4.091,334 0.8,335 10.18,336 2.994,337 4.259,338 3.27,339 6.145,340 3.844,341 2.92,342 3.896,344 8.988,345 2.696,346 3.759,347 2.962,348 5.772,349 3.469,350 2.566,351 3.009,353 7.677,354 2.328,355 3.535,356 2.423,357 5.285,358 3.221,359 2.292,360 2.826,362 6.716,363 2.02,364 3.324,365 2.221,366 5.062,367 2.966,368 2.03,369 2.563,371 5.802,372 1.893,373 3.193,374 2.156,375 4.971,376 2.895,377 1.944,378 2.286,380 5.75,381 1.832,382 2.821,383 2.092,384 4.119,385 2.308,386 1.414,387 1.949,389 3.573,390 1.21,391 2.453,392 1.484,393 3.993,394 2.188,395 1.257,396 1.446,398 3.308,399 1.135,400 2.09,401 1.296,402 3.708,403 1.979,404 1.005,405 1.065,407 2.565,408 0.976,409 1.396,410 0.688,411 2.929,412 1.138,413 0.209,414 0.235,415 0.513,416 0.182,417 1.275,418 0.329,419 2.676,420 0.818,421 0.052,422 0.061,423 0.117,424 0.034,425 0.893,426 -0.072,427 2.52,428 0.526,429 -0.395,430 -0.463,431 -1.058,432 -0.358,433 0.741,434 -0.221,435 2.379,436 0.433,437 -0.497,438 -0.578,439 -1.277,440 -0.432,441 0.617,442 -0.313,443 2.324,444 0.223,445 -0.661,446 -0.829,448 -1.696,449 -0.488,450 0.265,451 -0.564,452 2.076,453 0.147,454 -0.815,455 -0.864,457 -2.213,458 -0.784,459 11.429,460 0.497,461 0.736,462 0.032,463 28.75,464 1.25,465 13.5,466 0.587,467 15.25,468 0.663,469 20.763,470 0.903,471 25.171,472 0.599,473 18.571,474 0.807,475 5.287,476 0.23,477 5.649,478 0.246,479 0.239,481 0.385,485 0.859,486 1.343,487 0.589,488 0.863,489 0.981,490 0.858,491 0.634,492 0.976,493 0.589,494 0.794,495 0.384,496 0.828,497 0.908,498 1.228,499 0.803,500 1.022,501 0.734,502 1.051,503 0.797,504 1.08,505 0.819,506 1.06,507 0.76,508 1.105,509 0.77,510 1.029,511 0.7,512 0.965,513 0.94,514 1.054,515 0.86,516 0.694,517 0.936,518 0.91,519 1.019,520 0.98,521 0.882,522 0.902,523 1.018,524 0.974,525 0.822,526 0.915,527 1.473,528 0.954,529 1.368,530 1.037,531 1.512,532 1.043,533 6,534 0.132,535 3.111,536 1.75,537 1.831,538 0.556,539 0.465,540 0.358,541 0.221,542 0.182,543 5589,544 18031,545 2.016,546 45.2,547 4,548 8,551 4,552 2,553 1,555 1.655,556 1.84,557 3.301,558 1.865,560 1,564 68.157,565 1.623,566 3.713,567 4.594,568 4.946,569 4.993,570 4.993,571 2.736,572 4.437,573 4.498,574 3.418,575 864.817,576 7.729,577 9799.77,579 1,581 1,582 226.477,583 1.538,584 4.428,585 0.24,586 0.011,587 0.086,588 0.047,589 0.061,590 0.022,591 0.022,592 0.017,593 0.012,594 0.011,595 0.53,596 0.17,597 1,598 0.675,599 107.761,600 -0.127,601 -0.07,602 -0.001,603 0.044,604 -0.165,605 0.05,606 0.134,607 0.176,608 0.095,609 0.135,610 0.266,611 0.113,612 -0.039,613 -0.158,614 0.038,615 -0.065,616 0.031,617 -0.094,618 0.002,619 -0.083,620 -0.065,621 -0.134,622 0.009,623 -0.144,624 -0.034,625 -0.067,626 -0.009,627 -0.054,628 -0.118,629 -0.088,630 -0.007,631 0.186,632 -0.03,633 0.062,634 -0.12,635 0.024,636 -0.006,637 -0.066,638 0.029,639 0.06,640 0.011,641 0.13,642 -0.253,643 0.027,644 -0.179,645 -0.041,646 -0.265,647 -0.084,648 1.41,649 2.006,650 0.696,651 17.686,652 1.005,653 1.136,654 3.779,655 14.278,656 0.687,657 3.258,658 3.611,659 3.85,660 4.078,661 4.317,662 4.317,663 4.357,664 4.394,665 4.522,666 4.466,667 5.814,668 0.642,669 352.3,670 3.258,671 4.812,672 5.659,673 6.541,674 7.404,675 8.285,676 9.154,677 10.034,678 10.906,679 11.786,680 11.9,684 2,686 1,690 2,695 3,696 2,700 7,702 12,711 2,714 1,717 2,718 42,719 12,720 1,721 25,723 44,724 16,725 10,726 3,727 3,729 3,730 4,731 2,736 3,737 1,739 3,741 10,742 6,743 1,754 1,757 19,758 5,759 4,760 7,761 2,764 5,769 0.667,776 1,781 3,785 1,802 2,806 1,807 2,810 23,811 2,816 4,820 1,821 1,828 2,836 12.5,837 7.636,838 4.944,839 2.42,840 2.183,841 1.313,842 0.989,843 4.85,844 9.152,845 3.466,846 4.078,847 4.59,848 5.085,849 5.574,850 5.622,851 5.625,852 5.745,853 6.063,854 6.193,855 0.857,856 37,857 8.451,859 3.571,860 7.727,861 16.231,863 13.496,865 2.227,866 51.222,869 1,870 176.567,871 66.462,872 102.49,873 78.297,877 66.462,878 254.864,879 102.49,880 8.396,881 9.709,882 94.223,883 33.571,884 18.825,885 4.227,886 176.567,887 78.297,888 176.567,889 168.951,891 78.297,893 164.795,894 11.771,897 14.365,898 121.015,899 111.868,901 176.567,902 102.49,903 144.759,906 176.567,907 29.637,908 39.949,910 177.663,911 176.567,912 102.49,913 144.759,915 0.597,916 0.347,917 0.176,918 0.099,919 18,920 9,921 0.068,922 3,923 1,924 1.125,925 3.462,926 182.187,927 0.125,928 16,929 102.042,933 16.618,934 6.713,935 3.649,937 102.49,938 5.683,939 8.387,943 4.978,945 65.794,946 423.815,947 31,956 42.225,957 47.701,958 0.301,959 0.689,960 0.852,961 0.917,962 0.926,963 0.926,964 4.727,965 1.257,966 5.673,967 3.573,968 4.29,969 4.762,970 0.673,971 6.485,972 4.149,973 5.944,974 1.005,975 7.244,976 3.308,977 4.007,978 4.677,979 0.325,980 7.357,981 3.743,982 7.259,983 0.209,984 8.906,985 2.565,986 5.9,987 6.932,988 0.379,989 10.425,990 5.652,991 8.602,992 0.052,993 10.618,994 0.513,995 6.347,996 7.58,997 0.268,998 12.057,999 5.988,1000 9.971,1001 -0.395,1002 12.361,1003 0.117,1004 7.769,1005 9.383,1006 0.239,1007 14.658,1008 7.425,1009 11.36,1010 -0.497,1011 14.125,1012 -1.058,1013 8.555,1014 10.381,1015 0.188,1016 16.636,1017 8.127,1018 12.763,1019 -0.661,1020 15.904,1021 -1.277,1022 9.786,1023 11.986,1024 0.156,1025 19.056,1026 9.358,1027 3.084,1028 -0.815,1029 17.696,1030 -1.696,1031 10.737,1032 13.166,1033 0.125,1034 21.203,1035 10.248,1036 2.92,1037 10.18,1038 19.497,1039 -2.213,1040 11.889,1041 14.674,1042 0.102,1043 23.549,1044 11.389,1045 2.566,1046 8.988,1047 21.307,1048 4.091,1049 12.92,1050 15.95,1051 0.082,1052 25.777,1053 12.374,1054 2.292,1055 7.677,1056 23.123,1057 3.896,1058 14.041,1059 17.406,1060 0.066,1061 28.095,1062 13.476,1063 2.03,1064 6.716,1065 24.946,1066 3.009,1067 15.11,1068 18.735,1069 0.054,1070 30.363,1071 14.509,1072 1.944,1073 5.802,1074 26.773,1075 2.826,1076 16.22,1077 20.163,1078 0.043,1079 32.673,1080 15.597,1081 1.414,1082 5.75,1083 28.605,1084 2.563,1085 17.308,1086 21.522,1087 0.035,1088 34.961,1089 16.655,1090 5476,1091 9961,1092 16.126,1093 28.836,1094 37.766,1095 38.82,1096 39.377,1097 37.803,1098 37.548,1099 46.854,1100 1.6,1101 110.378,1102 34.599,1103 5.363,1104 5.34,1105 5.802,1106 5.125,1107 5.084,1108 7.091,1109 1.2,1110 17.074,1111 4.994,1112 13.426,1113 1.511,1114 1.553,1115 1.575,1116 1.512,1117 1.502,1118 1.874,1119 0.064,1120 4.415,1121 1.384,1122 4.012,1123 4.058,1124 4.119,1125 3.908,1126 5.282,1127 3.909,1128 3.902,1129 3.93,1130 3.933,1131 3.83,1132 5.042,1133 3.828,1134 3.591,1135 3.658,1136 3.558,1137 3.407,1138 4.978,1139 3.421,1140 3.338,1141 3.424,1142 3.401,1143 3.13,1144 4.493,1145 3.131,1146 3.159,1147 3.261,1148 3.33,1149 2.951,1150 4.471,1151 2.947,1152 2.996,1153 3.109,1154 3.029,1155 2.795,1156 4.36,1157 2.77,1158 2.878,1159 2.935,1160 2.979,1161 2.747,1162 4.036,1163 2.751,1164 2.812,1165 2.922,1166 2.761,1167 2.663,1168 3.867,1169 2.629,1170 0.177,1171 0.134,1172 0.26,1173 0.162,1174 0.123,1175 4.418,1176 0.164,1177 3.34,1178 0.032,1179 6.503,1180 0.407,1181 4.053,1182 0.12,1183 3.084,1184 4.091,1185 0.8,1186 10.18,1187 2.994,1188 1.955,1189 1.916,1190 2.094,1191 2.095,1192 1.456,1193 2.095,1194 1.871,1195 1.849,1196 1.94,1197 1.967,1198 1.094,1199 1.97,1200 1.534,1201 1.471,1202 1.691,1203 1.748,1204 0.864,1205 1.743,1206 1.303,1207 1.219,1208 1.581,1209 1.555,1210 0.748,1211 1.578,1212 1.135,1213 1.05,1214 1.466,1215 1.411,1216 0.618,1217 1.42,1218 0.96,1219 0.854,1220 1.288,1221 1.289,1222 0.332,1223 1.317,1224 0.868,1225 0.824,1226 1.183,1227 1.123,1228 0.17,1229 1.158,1230 0.781,1231 0.707,1232 1.1,1233 1.018,1234 0.079,1235 1.06,1236 3.932,1238 5.273,1240 6.806,1242 8.427,1244 10.095,1246 2.053,1247 12.075,1250 11.673,1252 3.703,1256 0.483,1257 2.187,1262 26.976,1263 68.157,1264 155.948,1265 192.968,1266 207.722,1267 209.722,1268 209.722,1269 36.79,1270 6.97,1271 81.06,1272 81.06,1273 18,1274 12.324,1275 3.7,1276 2.807,1277 36.98,1278 81,1279 73,1280 0.228,1281 175.141,1282 296.06,1283 419.103,1284 9228,1285 4.8,1286 16.56,1287 0.72,1288 0.626,1289 17.56,1290 14.402,1291 10.936,1292 0.437,1293 0.331,1294 7.484,1295 10.06,1296 7.208,1297 5.954,1298 11.513,1299 8.263,1300 10.398,1301 0.289,1302 0.189,1303 11.139,1304 6.794,1305 8.515,1306 0.185,1307 0.11,1308 9.43,1309 5.039,1310 6.809,1311 0.117,1312 0.059,1313 7.196,1314 3.394,1315 5.527,1316 0.075,1317 0.034,1318 5.944,1319 2.512,1320 0.356,1321 74.018,1322 0.249,1323 22.545,1324 0.624,1325 122,1326 325.967,1327 161.504,1328 384.799,1329 508.05,1330 356,1331 143,1332 333.514,1333 178.556,1334 360.888,1335 525.58,1336 338,1337 7.469}
{0 CHEMBL121683,1 1.526,2 10.154,3 2.898,4 8.4,5 105.741,6 6.745,7 0.429,8 4.057,9 4.197,10 3.531,11 3.501,12 5.121,13 3.482,14 4.607,15 4.811,16 3.871,17 3.889,18 5.589,19 3.844,20 4.824,21 5.04,22 3.986,23 4.085,24 5.731,25 4.016,26 4.971,27 5.201,28 3.968,29 4.175,30 5.87,31 4.065,32 5.098,33 5.36,34 3.898,35 4.207,36 5.929,37 4.068,38 5.112,39 5.386,40 3.782,41 4.164,42 5.905,43 4.003,44 5.06,45 5.347,46 3.684,47 4.063,48 5.8,49 3.898,50 4.887,51 5.173,52 3.592,53 3.905,54 5.726,55 3.752,56 0.045,57 0.783,58 12.59,59 4.461,60 12.772,61 6.624,62 0.312,63 1.193,64 23.066,65 7.634,66 32.515,67 11.172,68 0.294,69 1.472,70 28.506,71 9.009,72 25.879,73 14.012,74 0.354,75 1.629,76 33.119,77 10.878,78 39.944,79 16.692,80 0.495,81 1.697,82 38.367,83 11.832,84 48.79,85 18.619,86 0.526,87 1.603,88 39.301,89 12.579,90 52.521,91 18.977,92 0.474,93 1.431,94 37.669,95 12.001,96 44.898,97 18.109,98 0.354,99 1.27,100 31.391,101 9.559,102 42.898,103 15.01,104 35,105 39,106 0.257,107 0.591,108 0.784,109 0.844,110 0.857,111 0.876,112 3.304,113 0.957,114 -3.71,115 -3.68,116 -3.5,119 35.8,120 1,121 3,122 1,124 2,125 2,139 3,140 1,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 9,172 3,173 3,175 1,178 5,180 1,181 1,182 9,187 1,189 3,191 1,192 1,193 6,195 1,196 1,197 1,198 4,200 2,201 3,204 4,205 1,206 1,207 3,212 3,215 6,218 3,220 2,221 4,223 1,224 1,226 1,229 8,231 1,234 4,241 4,246 6,248 1,249 1,251 2,254 2,256 2,259 2,260 2,262 1,263 1,265 1,270 1,273 956,274 17.643,275 17.643,276 17.643,277 17.643,278 17.643,279 16.115,280 26.738,281 10.19,282 18.306,283 13.619,284 13.619,285 13.619,286 13.619,287 13.619,288 11.175,289 34.282,290 4.579,291 14.474,292 4.202,293 2.225,294 1.076,295 0.722,296 0.647,297 0.533,298 3.984,300 1,301 1,302 1,303 555,304 3.317,307 225.441,311 116.931,314 1.396,315 21.424,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 56.5,327 264,328 4.419,329 3.324,330 6.532,331 4.063,332 3.097,333 4.091,334 0.86,335 10.306,336 2.998,337 4.345,338 3.252,339 6.494,340 3.979,341 3.029,342 3.958,343 0.86,344 10.146,345 2.872,346 3.652,347 2.749,348 5.46,349 3.431,350 2.474,351 2.914,352 0.8,353 7.237,354 2.37,355 3.542,356 2.593,357 5.231,358 3.2,359 2.27,360 2.831,362 6.549,363 2.103,364 3.362,365 2.368,366 5.078,367 3.008,368 2.09,369 2.569,371 5.972,372 1.914,373 3.295,374 2.221,375 5.056,376 2.944,377 2.003,378 2.474,380 5.795,381 1.881,382 3.051,383 2.047,384 4.925,385 2.818,386 1.871,387 2.134,389 5.494,390 1.76,391 2.471,392 1.402,393 3.97,394 2.121,395 1.144,396 1.463,398 2.966,399 1.115,400 2.091,401 1.299,402 3.709,403 1.981,404 1.006,405 1.066,407 2.565,408 0.978,409 1.895,410 1.168,411 3.057,412 1.624,413 0.76,414 0.838,415 1.284,416 0.65,417 1.482,418 0.914,419 2.967,420 1.38,421 0.419,422 0.434,423 0.782,424 0.401,425 1.45,426 0.565,427 2.685,428 1.191,429 0.332,430 0.363,431 0.458,432 0.283,433 1.18,434 0.191,435 2.674,436 0.963,437 0.017,438 0.019,439 0.033,440 0.016,441 0.888,442 -0.018,443 2.514,444 0.525,445 -0.401,446 -0.475,448 -0.834,449 -0.368,450 0.778,451 -0.282,452 2.375,453 0.454,454 -0.471,455 -0.565,457 -1.14,458 -0.43,459 12.167,460 0.468,461 0.622,462 0.024,463 31.75,464 1.221,465 14.5,466 0.558,467 17.25,468 0.663,469 24.271,470 0.934,471 29.833,472 0.563,473 22.802,474 0.877,475 6.087,476 0.234,477 6.463,478 0.249,479 0.189,481 0.362,485 1.011,486 1.493,487 0.909,488 1.254,489 1.145,490 1.083,491 1.128,492 0.978,493 0.868,494 0.918,495 0.638,496 0.874,497 1.001,498 1.184,499 0.986,500 1.062,501 0.802,502 1.02,503 0.853,504 1.214,505 1.102,506 1.241,507 0.848,508 1.213,509 0.919,510 1.06,511 1.106,512 1.108,513 1.059,514 1.124,515 1.042,516 0.865,517 1.104,518 1.056,519 1.025,520 1.091,521 1.145,522 0.885,523 0.946,524 0.929,525 0.857,526 0.933,527 0.943,528 1.013,529 0.954,530 1.024,531 0.939,532 1.002,533 6,534 0.136,535 2.889,536 2,537 1.991,538 0.875,539 0.609,540 0.37,541 0.3,542 0.252,543 7276,544 18408,545 2.014,546 50.9,547 4,548 13,551 4,552 2,553 4,555 1.694,556 1.857,557 3.304,558 1.735,559 1,560 1,564 80.878,565 1.526,566 3.502,567 4.652,568 5.006,569 5.081,570 5.195,571 2.705,572 4.364,573 4.675,574 3.44,575 1118.04,576 8.114,577 13793.1,579 1,581 1,582 303.58,583 1.502,584 4.615,585 0.214,586 0.008,587 0.074,588 0.047,589 0.05,590 0.024,591 0.02,592 0.013,593 0.012,594 0.011,595 0.472,596 0.17,597 1,598 0.998,599 126.245,600 -0.073,601 -0.165,602 0.049,603 -0.07,604 -0.121,605 0.003,606 0.013,607 0.157,608 0.125,609 0.151,610 0.222,611 0.146,612 -0.064,613 -0.042,614 -0.016,615 -0.001,616 -0.016,617 0.001,618 -0.008,619 -0.113,620 -0.146,621 -0.187,622 -0.021,623 -0.19,624 -0.038,625 -0.051,626 -0.141,627 -0.105,628 -0.142,629 -0.129,630 -0.07,631 0.077,632 -0.131,633 -0.066,634 -0.128,635 -0.103,636 -0.085,637 -0.039,638 0.035,639 0.06,640 -0.048,641 0.058,642 -0.023,643 -0.104,644 0.018,645 -0.051,646 -0.009,647 -0.018,648 1.406,649 2.081,650 0.615,651 20.769,652 0.998,653 1.141,654 2.48,655 6.15,656 0.629,657 3.367,658 3.689,659 3.97,660 4.234,661 4.477,662 4.5,663 4.543,664 4.585,665 4.71,666 4.7,667 5.982,668 0.591,669 357.51,670 3.367,671 4.905,672 5.759,673 6.642,674 7.515,675 8.402,676 9.279,677 10.166,678 11.046,679 11.933,680 9.4,684 2,686 1,690 2,695 3,696 2,700 7,702 12,711 2,714 1,716 2,718 53,719 12,720 1,721 28,723 55,724 19,725 10,726 3,727 3,729 3,730 4,734 1,736 3,737 1,739 3,741 10,742 9,743 1,753 1,754 1,757 27,758 7,759 4,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 5,818 2,820 1,821 1,829 3.8,834 2,836 14,837 10.183,838 5.944,839 3.165,840 2.239,841 1.311,842 0.956,843 5.965,844 9.433,845 3.555,846 4.127,847 4.668,848 5.187,849 5.676,850 5.763,851 5.821,852 5.931,853 6.209,854 6.358,855 0.857,856 43,857 9.578,859 3.93,860 7.635,861 18.544,863 14.971,865 2.135,866 55.5,869 1,870 270.735,871 94.248,872 102.49,874 22,877 94.248,878 292.735,879 102.49,880 30.591,881 11.815,882 94.223,883 33.571,884 44.31,885 4.227,886 270.735,888 270.735,889 196.738,890 22,893 223.651,894 69.084,897 25.296,898 137.871,899 33.571,901 270.735,902 124.49,903 94.248,906 270.735,907 35.228,908 62.144,910 121.365,911 270.735,912 124.49,913 94.248,915 0.574,916 0.353,917 0.197,918 0.112,919 18,920 9,921 0.109,922 6,923 1,924 1.125,925 3.652,926 217.813,927 0.125,928 16,929 122.211,933 18.895,934 8.208,935 4.113,937 124.49,938 5.883,939 8.476,943 5.523,945 65.794,946 489.473,947 34,956 52.883,957 60.478,958 0.266,959 0.611,960 0.812,961 0.874,962 0.887,963 0.907,964 4.804,965 1.144,966 5.753,967 5.494,968 4.369,969 4.812,970 1.593,971 6.575,972 4.262,973 5.998,974 1.006,975 7.322,976 2.966,977 4.007,978 4.677,979 0.325,980 7.496,981 3.85,982 7.306,983 0.76,984 8.986,985 2.565,986 5.979,987 6.968,988 1.294,989 10.58,990 5.783,991 8.647,992 0.419,993 10.705,994 1.284,995 6.399,996 7.608,997 0.268,998 12.293,999 6.153,1000 10.018,1001 0.332,1002 12.458,1003 0.782,1004 7.854,1005 9.418,1006 1.061,1007 14.907,1008 7.581,1009 11.409,1010 0.017,1011 14.235,1012 0.458,1013 8.641,1014 10.422,1015 0.188,1016 16.968,1017 8.32,1018 12.817,1019 -0.401,1020 16.031,1021 0.033,1022 9.89,1023 12.029,1024 0.861,1025 19.409,1026 9.544,1027 3.097,1028 -0.471,1029 17.84,1030 -0.834,1031 10.855,1032 13.219,1033 0.125,1034 21.622,1035 10.463,1036 3.029,1037 10.306,1038 19.662,1039 -1.14,1040 12.022,1041 14.727,1042 0.69,1043 23.995,1044 11.601,1045 2.474,1046 10.146,1047 21.493,1048 4.091,1049 13.071,1050 16.014,1051 0.082,1052 26.273,1053 12.607,1054 2.27,1055 7.237,1056 23.332,1057 3.958,1058 14.206,1059 17.471,1060 0.544,1061 28.618,1062 13.71,1063 2.09,1064 6.549,1065 25.177,1066 2.914,1067 15.293,1068 18.808,1069 0.054,1070 30.924,1071 14.757,1072 2.003,1073 5.972,1074 27.027,1075 2.831,1076 16.417,1077 20.238,1078 0.424,1079 33.258,1080 15.847,1081 1.871,1082 5.795,1083 28.882,1084 2.569,1085 17.522,1086 21.603,1087 0.035,1088 35.575,1089 16.912,1090 7206,1091 11565,1092 18.205,1093 33.313,1094 40.964,1095 41.976,1096 43.671,1097 40.984,1098 41.024,1099 50.308,1100 5.04,1101 119.173,1102 38.685,1103 5.365,1104 5.324,1105 6.1,1106 5.135,1107 5.097,1108 7.091,1109 1.72,1110 17.2,1111 4.998,1112 14.701,1113 1.463,1114 1.499,1115 1.56,1116 1.464,1117 1.465,1118 1.797,1119 0.18,1120 4.256,1121 1.382,1122 4.019,1123 4.064,1124 3.961,1125 3.903,1126 5.282,1127 3.91,1128 3.915,1129 3.943,1130 3.871,1131 3.81,1132 4.978,1133 3.819,1134 3.612,1135 3.679,1136 3.505,1137 3.426,1138 4.919,1139 3.438,1140 3.451,1141 3.535,1142 3.289,1143 3.259,1144 4.603,1145 3.253,1146 3.317,1147 3.366,1148 3.162,1149 3.022,1150 4.465,1151 3.044,1152 3.18,1153 3.275,1154 3.022,1155 2.991,1156 4.253,1157 2.979,1158 3.147,1159 3.239,1160 2.909,1161 2.869,1162 4.087,1163 2.861,1164 3.08,1165 3.188,1166 2.882,1167 2.83,1168 3.968,1169 2.837,1170 0.158,1171 0.119,1172 0.233,1173 0.145,1174 0.111,1175 4.419,1176 0.146,1177 3.324,1178 0.031,1179 6.532,1180 0.368,1181 4.063,1182 0.107,1183 3.097,1184 4.091,1185 0.86,1186 10.306,1187 2.998,1188 1.957,1189 1.918,1190 2.096,1191 2.098,1192 1.459,1193 2.097,1194 1.874,1195 1.851,1196 1.973,1197 2.006,1198 1.138,1199 1.994,1200 1.568,1201 1.501,1202 1.808,1203 1.787,1204 0.954,1205 1.789,1206 1.436,1207 1.356,1208 1.647,1209 1.671,1210 0.808,1211 1.686,1212 1.236,1213 1.176,1214 1.592,1215 1.566,1216 0.743,1217 1.571,1218 1.18,1219 1.097,1220 1.538,1221 1.44,1222 0.586,1223 1.476,1224 1.13,1225 1.036,1226 1.498,1227 1.419,1228 0.557,1229 1.443,1230 1.026,1231 0.931,1232 1.32,1233 1.354,1234 0.397,1235 1.361,1236 4.043,1238 5.361,1240 6.889,1242 8.513,1244 10.189,1246 5.515,1250 11.8,1252 4.573,1254 10.94,1256 0.466,1257 2.325,1262 31.331,1263 80.878,1264 185.631,1265 246.56,1266 265.315,1267 269.315,1268 275.315,1269 42.027,1270 7.194,1271 99.52,1272 99.52,1273 18,1274 12.465,1275 3.7,1276 2.807,1277 44.228,1278 94,1279 90,1280 0.234,1281 195.244,1282 335.12,1283 468.156,1284 12076,1286 18.681,1287 0.719,1288 0.602,1289 18.681,1290 15.658,1291 12.55,1292 0.448,1293 0.319,1294 8.768,1295 11.934,1296 8.477,1297 7.083,1298 12.55,1299 8.93,1300 10.98,1301 0.282,1302 0.169,1303 10.98,1304 6.578,1305 9.391,1306 0.181,1307 0.096,1308 9.391,1309 5.011,1310 7.872,1311 0.116,1312 0.054,1313 7.872,1314 3.639,1315 6.449,1316 0.074,1317 0.031,1318 6.449,1319 2.711,1320 0.362,1321 79.497,1322 0.234,1323 24.818,1324 0.655,1325 134,1326 373.031,1327 148.555,1328 356.614,1329 493.09,1330 336,1331 158,1332 368.232,1333 172.363,1334 374.006,1335 543.75,1336 349,1337 7.149}
{0 CHEMBL121868,1 1.549,2 10.16,3 2.55,4 6.5,5 100.993,6 6.87,7 0.444,8 4.005,9 4.144,10 3.496,11 3.446,12 5.091,13 3.434,14 4.549,15 4.75,16 3.839,17 3.838,18 5.551,19 3.801,20 4.751,21 4.952,22 3.944,23 4.036,24 5.693,25 3.97,26 4.929,27 5.166,28 3.902,29 4.101,30 5.841,31 3.991,32 5.008,33 5.271,34 3.772,35 4.088,36 5.859,37 3.947,38 4.977,39 5.263,40 3.618,41 3.997,42 5.769,43 3.832,44 4.858,45 5.144,46 3.559,47 3.863,48 5.63,49 3.718,50 4.68,51 4.948,52 3.466,53 3.732,54 5.567,55 3.603,56 0.037,57 0.744,58 11.702,59 4.132,60 12.58,61 6.102,62 0.314,63 1.13,64 21.594,65 7.114,66 31.607,67 10.301,68 0.24,69 1.394,70 26.001,71 8.558,72 23.975,73 13.04,74 0.353,75 1.53,76 31.778,77 10.16,78 41.718,79 15.691,80 0.5,81 1.528,82 35.247,83 10.422,84 49.785,85 16.566,86 0.488,87 1.376,88 34.666,89 10.675,90 50.155,91 16.373,92 0.397,93 1.176,94 31.019,95 9.592,96 39.85,97 14.575,98 0.334,99 1.057,100 25.576,101 7.576,102 38.318,103 11.761,104 30,105 38,106 0.264,107 0.606,108 0.789,109 0.84,110 0.853,111 0.874,112 3.267,113 0.928,114 -3.48,115 -3.46,116 -3.3,119 36,121 3,122 1,124 3,125 1,139 3,140 1,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 8,172 3,173 3,175 1,178 5,180 1,181 1,182 9,187 1,189 3,191 1,192 1,193 6,195 1,196 1,197 1,198 4,200 2,201 1,204 4,205 1,206 1,207 2,212 3,215 3,218 3,220 2,221 3,223 1,224 1,226 1,229 5,231 1,234 4,241 4,246 4,248 1,249 1,251 1,254 2,256 1,259 2,260 2,262 1,263 1,265 1,270 1,273 845,274 16.773,275 16.773,276 16.773,277 16.773,278 16.773,279 15.245,280 25.157,281 9.666,282 17.4,283 13.181,284 13.181,285 13.181,286 13.181,287 13.181,288 10.731,289 32.514,290 4.421,291 14.008,292 4.095,293 2.091,294 1.02,295 0.725,296 0.645,297 0.525,298 3.946,300 1,301 1,302 1,303 536,304 3.162,307 213.549,311 110.604,314 1.446,315 20.56,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 54.5,327 254,328 4.419,329 3.306,330 6.508,331 4.059,332 3.092,333 4.091,334 0.86,335 10.198,336 2.997,337 4.336,338 3.246,339 6.469,340 3.964,341 3.014,342 3.954,343 0.86,344 10.031,345 2.858,346 3.636,347 2.732,348 5.418,349 3.419,350 2.46,351 2.905,352 0.8,353 7.145,354 2.362,355 3.541,356 2.575,357 5.229,358 3.189,359 2.262,360 2.831,362 6.531,363 2.089,364 3.352,365 2.348,366 5.064,367 2.995,368 2.074,369 2.567,371 5.88,372 1.907,373 3.284,374 2.221,375 5.02,376 2.936,377 1.994,378 2.444,380 5.793,381 1.875,382 3.025,383 2.033,384 4.876,385 2.772,386 1.832,387 2.118,389 5.261,390 1.711,391 2.356,392 1.346,393 3.844,394 2.014,395 1.038,396 1.321,398 2.735,399 1.011,400 2.09,401 1.295,402 3.707,403 1.973,404 1,405 1.064,407 2.565,408 0.971,409 1.875,410 1.114,411 3.056,412 1.607,413 0.748,414 0.819,415 1.273,416 0.636,417 1.452,418 0.913,419 2.876,420 1.193,421 0.333,422 0.364,423 0.492,424 0.283,425 1.329,426 0.337,427 2.683,428 1.105,429 0.162,430 0.18,431 0.365,432 0.153,433 0.901,434 -0.004,435 2.578,436 0.553,437 -0.376,438 -0.437,439 -0.833,440 -0.347,441 0.78,442 -0.217,443 2.483,444 0.455,445 -0.471,446 -0.565,448 -1.081,449 -0.43,450 0.646,451 -0.312,452 2.255,453 0.367,454 -0.55,455 -0.626,457 -1.291,458 -0.5,459 11.667,460 0.467,461 0.66,462 0.026,463 31.25,464 1.25,465 14.5,466 0.58,467 16.75,468 0.67,469 21.9,470 0.876,471 28.533,472 0.571,473 22.477,474 0.899,475 6.111,476 0.244,477 5.901,478 0.236,479 0.197,481 0.377,485 1.016,486 1.492,487 0.89,488 1.241,489 1.15,490 1.063,491 1.153,492 0.897,493 0.851,494 0.849,495 0.642,496 0.819,497 0.965,498 1.287,499 1.024,500 1.18,501 0.826,502 1.119,503 0.845,504 1.187,505 1.08,506 1.215,507 0.834,508 1.188,509 0.975,510 1.057,511 1.148,512 1.103,513 1.123,514 1.139,515 0.964,516 0.806,517 1.059,518 0.994,519 1.031,520 1.037,521 1.129,522 0.87,523 0.889,524 0.88,525 0.821,526 0.871,527 1.144,528 0.963,529 1.061,530 1.014,531 1.158,532 1.027,533 6,534 0.136,535 2.889,536 2,537 1.991,538 0.792,539 0.508,540 0.311,541 0.287,542 0.217,543 6739,544 17525,545 2.015,546 50,547 4,548 14,551 4,552 2,553 1,555 1.681,556 1.852,557 3.312,558 1.776,559 1,560 1,564 77.428,565 1.549,566 3.552,567 4.623,568 4.919,569 4.999,570 5.119,571 2.713,572 4.294,573 4.618,574 3.445,575 1033.62,576 7.988,577 12461.1,579 1,581 1,582 282.193,583 1.516,584 4.555,585 0.222,586 0.009,587 0.076,588 0.049,589 0.054,590 0.026,591 0.02,592 0.012,593 0.012,594 0.01,595 0.489,596 0.17,597 1,598 0.942,599 120.226,600 -0.084,601 -0.173,602 0.048,603 -0.073,604 -0.134,605 0.004,606 -0.01,607 0.234,608 0.134,609 0.212,610 0.217,611 0.19,612 -0.063,613 -0.13,614 -0.075,615 -0.097,616 -0.042,617 -0.089,618 -0.003,619 -0.119,620 -0.129,621 -0.183,622 -0.005,623 -0.179,624 -0.064,625 -0.065,626 -0.18,627 -0.121,628 -0.176,629 -0.158,630 -0.046,631 0.109,632 -0.085,633 -0.027,634 -0.13,635 -0.057,636 -0.071,637 -0.029,638 0.1,639 0.103,640 0.005,641 0.12,642 -0.109,643 -0.018,644 -0.075,645 -0.041,646 -0.135,647 -0.052,648 1.409,649 2.049,650 0.64,651 19.952,652 1,653 1.141,654 2.248,655 5.051,656 0.631,657 3.332,658 3.664,659 3.932,660 4.19,661 4.419,662 4.431,663 4.477,664 4.489,665 4.635,666 4.615,667 5.981,668 0.596,669 343.48,670 3.332,671 4.875,672 5.727,673 6.611,674 7.479,675 8.365,676 9.239,677 10.125,678 11.001,679 11.886,680 10,684 2,686 1,690 2,695 3,696 2,700 7,702 12,711 2,714 1,716 2,718 50,719 12,720 1,721 27,723 52,724 18,725 10,726 3,727 3,729 3,730 4,736 3,737 1,739 3,741 10,742 8,743 1,753 1,754 1,757 25,758 7,759 4,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 3,810 25,811 2,816 4,818 2,820 1,821 1,829 4,834 2,836 13.5,837 9.683,838 5.611,839 2.765,840 2.27,841 1.318,842 0.96,843 5.421,844 9.415,845 3.526,846 4.111,847 4.649,848 5.165,849 5.648,850 5.723,851 5.771,852 5.845,853 6.153,854 6.294,855 0.857,856 41,857 9.196,859 3.785,860 7.66,861 17.728,863 14.316,865 2.16,866 54,869 1,870 247.193,871 91.713,872 102.49,874 22,877 91.713,878 269.193,879 102.49,880 30.162,881 9.709,882 94.223,883 33.571,884 44.31,885 4.227,886 247.193,888 247.193,889 194.203,890 22,893 235.422,894 33.771,897 14.365,898 146.267,899 33.571,901 247.193,902 124.49,903 91.713,906 247.193,907 33.122,908 61.716,910 121.365,911 247.193,912 124.49,913 91.713,915 0.581,916 0.351,917 0.192,918 0.107,919 18,920 9,921 0.096,922 5,923 1,924 1.125,925 3.6,926 205.2,927 0.125,928 16,929 116.096,933 17.924,934 7.561,935 3.866,937 124.49,938 5.818,939 8.436,943 5.44,945 65.794,946 463.396,947 33,956 50,957 57.062,958 0.274,959 0.629,960 0.819,961 0.871,962 0.886,963 0.907,964 4.779,965 1.038,966 5.727,967 5.261,968 4.344,969 4.796,970 1.593,971 6.547,972 4.236,973 5.98,974 1,975 7.296,976 2.735,977 4.007,978 4.677,979 0.325,980 7.455,981 3.85,982 7.291,983 0.748,984 8.96,985 2.565,986 5.953,987 6.959,988 1.294,989 10.537,990 5.76,991 8.633,992 0.333,993 10.677,994 1.273,995 6.382,996 7.603,997 0.268,998 12.231,999 6.138,1000 10.004,1001 0.162,1002 12.428,1003 0.492,1004 7.827,1005 9.412,1006 1.061,1007 14.844,1008 7.559,1009 11.396,1010 -0.376,1011 14.203,1012 0.365,1013 8.616,1014 10.417,1015 0.188,1016 16.886,1017 8.3,1018 12.803,1019 -0.471,1020 15.995,1021 -0.833,1022 9.861,1023 12.024,1024 0.861,1025 19.323,1026 9.521,1027 3.092,1028 -0.55,1029 17.802,1030 -1.081,1031 10.824,1032 13.214,1033 0.125,1034 21.521,1035 10.44,1036 3.014,1037 10.198,1038 19.621,1039 -1.291,1040 11.988,1041 14.722,1042 0.69,1043 23.887,1044 11.577,1045 2.46,1046 10.031,1047 21.448,1048 4.091,1049 13.034,1050 16.009,1051 0.082,1052 26.151,1053 12.581,1054 2.262,1055 7.145,1056 23.284,1057 3.954,1058 14.167,1059 17.466,1060 0.544,1061 28.487,1062 13.684,1063 2.074,1064 6.531,1065 25.126,1066 2.905,1067 15.251,1068 18.803,1069 0.054,1070 30.78,1071 14.728,1072 1.994,1073 5.88,1074 26.973,1075 2.831,1076 16.373,1077 20.233,1078 0.424,1079 33.104,1080 15.817,1081 1.832,1082 5.793,1083 28.825,1084 2.567,1085 17.475,1086 21.598,1087 0.035,1088 35.41,1089 16.881,1090 6650,1091 10819,1092 17.512,1093 31.552,1094 40.054,1095 40.892,1096 42.208,1097 39.964,1098 40.018,1099 49.317,1100 5.04,1101 116.534,1102 37.704,1103 5.364,1104 5.306,1105 6.077,1106 5.131,1107 5.092,1108 7.091,1109 1.72,1110 17.092,1111 4.997,1112 14.231,1113 1.483,1114 1.515,1115 1.563,1116 1.48,1117 1.482,1118 1.827,1119 0.187,1120 4.316,1121 1.396,1122 4.016,1123 4.061,1124 3.958,1125 3.9,1126 5.282,1127 3.907,1128 3.912,1129 3.939,1130 3.869,1131 3.809,1132 4.978,1133 3.818,1134 3.594,1135 3.663,1136 3.491,1137 3.403,1138 4.92,1139 3.419,1140 3.358,1141 3.438,1142 3.219,1143 3.122,1144 4.603,1145 3.131,1146 3.299,1147 3.359,1148 3.132,1149 3.013,1150 4.465,1151 3.031,1152 3.161,1153 3.262,1154 3.016,1155 2.943,1156 4.251,1157 2.942,1158 3.137,1159 3.229,1160 2.888,1161 2.865,1162 4.077,1163 2.853,1164 2.995,1165 3.108,1166 2.789,1167 2.742,1168 3.92,1169 2.747,1170 0.164,1171 0.122,1172 0.241,1173 0.15,1174 0.115,1175 4.419,1176 0.152,1177 3.306,1178 0.032,1179 6.508,1180 0.378,1181 4.059,1182 0.111,1183 3.092,1184 4.091,1185 0.86,1186 10.198,1187 2.997,1188 1.955,1189 1.916,1190 2.094,1191 2.097,1192 1.456,1193 2.096,1194 1.871,1195 1.849,1196 1.967,1197 2.002,1198 1.1,1199 1.99,1200 1.537,1201 1.473,1202 1.711,1203 1.766,1204 0.869,1205 1.756,1206 1.313,1207 1.23,1208 1.596,1209 1.59,1210 0.749,1211 1.599,1212 1.23,1213 1.164,1214 1.585,1215 1.554,1216 0.624,1217 1.564,1218 1.139,1219 1.052,1220 1.531,1221 1.425,1222 0.585,1223 1.464,1224 1.123,1225 1.029,1226 1.467,1227 1.41,1228 0.554,1229 1.419,1230 0.96,1231 0.854,1232 1.288,1233 1.289,1234 0.333,1235 1.317,1236 4.007,1238 5.333,1240 6.862,1242 8.486,1244 10.16,1246 5.409,1250 11.746,1252 3.657,1254 10.833,1256 0.461,1257 2.2,1262 29.805,1263 77.428,1264 177.624,1265 231.173,1266 245.928,1267 249.928,1268 255.928,1269 39.12,1270 7.145,1271 99.52,1272 99.52,1273 18,1274 12.42,1275 3.7,1276 2.807,1277 41.776,1278 91,1279 83,1280 0.229,1281 185.652,1282 317.82,1283 444.751,1284 11576,1286 17.974,1287 0.719,1288 0.598,1289 17.974,1290 14.951,1291 12.012,1292 0.445,1293 0.309,1294 8.188,1295 11.397,1296 7.893,1297 6.605,1298 12.012,1299 8.353,1300 10.789,1301 0.284,1302 0.169,1303 10.789,1304 6.419,1305 9.061,1306 0.181,1307 0.095,1308 9.061,1309 4.754,1310 7.619,1311 0.117,1312 0.053,1313 7.619,1314 3.467,1315 6.112,1316 0.075,1317 0.03,1318 6.112,1319 2.494,1320 0.357,1321 76.353,1322 0.239,1323 24.107,1324 0.635,1325 130,1326 369.031,1327 144.222,1328 353.141,1329 485.99,1330 332,1331 153,1332 360.88,1333 167.196,1334 368.725,1335 533.3,1336 342,1337 6.585}
{0 CHEMBL121947,1 1.56,2 10,3 2.893,4 8.371,5 88.636,6 7.791,7 0.522,8 3.767,9 3.911,10 3.363,11 3.31,12 4.86,13 3.28,14 4.287,15 4.469,16 3.746,17 3.727,18 5.351,19 3.658,20 4.588,21 4.819,22 3.766,23 3.864,24 5.519,25 3.757,26 4.631,27 4.895,28 3.554,29 3.777,30 5.538,31 3.633,32 4.562,33 4.851,34 3.392,35 3.644,36 5.417,37 3.494,38 4.439,39 4.729,40 3.242,41 3.55,42 5.303,43 3.379,44 4.299,45 4.594,46 3.142,47 3.435,48 5.085,49 3.26,50 4.029,51 4.289,52 3.202,53 3.253,54 5.001,55 3.119,56 0.048,57 0.613,58 8.033,59 3.125,60 9.363,61 4.442,62 0.143,63 0.954,64 14.956,65 6.03,66 21.498,67 8.423,68 0.185,69 1.149,70 24.031,71 7.598,72 25.238,73 11.068,74 0.28,75 1.131,76 25.801,77 7.773,78 38.194,79 11.559,80 0.286,81 1.022,82 23.626,83 6.858,84 37.33,85 10.626,86 0.3,87 0.882,88 21.831,89 6.687,90 37.544,91 9.9,92 0.178,93 0.734,94 20.554,95 6.349,96 24.853,97 9.291,98 0.116,99 0.591,100 14.992,101 4.777,102 19.078,103 6.863,104 10,105 32,106 0.281,107 0.665,108 0.804,109 0.859,110 0.859,111 0.859,112 3.102,113 0.965,114 -4.53,115 -4.45,116 -4.19,119 38.5,121 3,122 1,125 1,139 4,140 1,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 3,172 3,173 3,175 4,178 8,180 1,182 3,187 5,189 6,191 1,193 3,195 1,196 1,197 1,198 6,200 2,201 2,204 4,205 1,207 1,212 4,215 6,218 3,224 2,225 1,226 1,228 1,229 8,231 1,241 5,246 4,250 1,251 2,253 1,254 2,256 2,260 4,265 2,268 2,270 2,273 544,274 14.033,275 14.033,276 14.033,277 14.033,278 14.033,279 12.427,280 19.708,281 8.242,282 14.405,283 11.354,284 11.354,285 11.354,286 11.354,287 11.354,288 8.987,289 25.362,290 3.965,291 12.026,292 3.725,293 1.593,294 0.821,295 0.513,296 0.513,297 0.513,298 3.784,299 1,300 1,301 1,302 1,303 452,304 2.345,307 172.441,311 89.815,314 1.429,315 17.313,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 44.833,327 210,328 4.417,329 3.269,330 6.502,331 4.048,332 3.079,333 4.091,334 0.4,335 10.175,336 2.99,337 4.014,338 2.953,339 5.447,340 3.585,341 2.632,342 3.615,344 7.253,345 2.502,346 3.577,347 2.6,348 5.277,349 3.359,350 2.399,351 2.838,353 6.783,354 2.303,355 3.428,356 2.397,357 5.062,358 3.004,359 2.104,360 2.712,362 5.811,363 1.901,364 3.322,365 2.221,366 4.973,367 2.951,368 2.02,369 2.562,371 5.781,372 1.863,373 3.186,374 2.109,375 4.873,376 2.881,377 1.938,378 2.27,380 5.619,381 1.738,382 2.5,383 1.307,384 3.71,385 2,386 1.009,387 1.5,389 2.565,390 1,391 2.095,392 1.058,393 3.414,394 1.984,395 1,396 1.07,398 2.275,399 0.981,400 1.882,401 1,402 3.266,403 1.701,404 0.771,405 0.833,407 1.81,408 0.704,409 1.301,410 0.442,411 2.742,412 1.012,413 0.087,414 0.1,415 0.211,416 0.076,417 1.029,418 0.124,419 2.57,420 0.636,421 -0.233,422 -0.276,423 -0.526,424 -0.174,425 0.851,426 -0.285,427 2.432,428 0.474,429 -0.448,430 -0.553,431 -1.155,432 -0.409,433 0.5,434 -0.483,435 2.106,436 0.161,437 -0.778,438 -0.859,439 -1.975,440 -0.668,441 0.38,442 -0.589,443 2,444 0.132,445 -0.816,446 -0.889,448 -2.38,449 -0.787,450 0.265,451 -0.804,452 1.691,454 -1,455 -1.272,457 -2.876,458 -0.943,459 10.214,460 0.486,461 0.558,462 0.027,463 27.25,464 1.298,465 13.5,466 0.643,467 13.75,468 0.655,469 16.395,470 0.781,471 22.786,472 0.584,473 16.663,474 0.793,475 5.034,476 0.24,477 5.08,478 0.242,479 0.148,481 0.343,485 0.996,486 1.225,487 0.677,488 0.863,489 1.1,490 0.851,491 0.537,492 1.086,493 0.68,494 1.01,495 0.384,496 0.996,497 1.03,498 1.197,499 0.964,500 1.081,501 0.829,502 1.071,503 0.968,504 1.075,505 0.955,506 1.087,507 0.88,508 1.122,509 0.892,510 0.973,511 0.733,512 0.916,513 1.088,514 0.988,515 0.838,516 0.705,517 0.855,518 0.879,519 1.056,520 0.985,521 0.76,522 0.813,523 0.861,524 0.888,525 0.772,526 0.888,527 0.74,528 1.022,529 0.857,530 0.964,531 0.762,532 0.921,533 5,534 0.124,535 2.222,536 1.063,537 1.44,538 0.41,539 0.221,540 0.311,541 0.164,542 0.107,543 4651,544 13571,545 2.074,546 46.2,547 4,548 6,551 5,552 2,553 1,555 1.626,556 1.938,557 3.278,558 2.798,559 1,560 1,562 1,564 60.859,565 1.56,566 3.692,567 4.465,568 4.773,569 4.773,570 4.773,571 2.72,572 3.88,573 4.364,574 3.401,575 714.26,576 7.447,577 7655.78,578 1,579 1,580 1,581 1,582 206.131,583 1.418,584 4.322,585 0.217,586 0.014,587 0.069,588 0.034,589 0.06,590 0.02,591 0.013,592 0.019,593 0.01,594 0.008,595 0.466,596 0.17,597 1,598 0.61,599 95.864,600 -0.173,601 0.04,602 -0.003,603 0.108,604 -0.189,605 0.09,606 0.22,607 0.058,608 0.057,609 -0.018,610 0.296,611 -0.02,612 -0.133,613 -0.167,614 -0.087,615 -0.11,616 -0.057,617 -0.102,618 -0.067,619 -0.098,620 -0.125,621 -0.156,622 -0.029,623 -0.167,624 -0.053,625 -0.028,626 -0.006,627 -0.019,628 -0.144,629 -0.039,630 0.011,631 0.221,632 -0.04,633 0.053,634 -0.121,635 -0.015,636 0.005,637 0.038,638 0.07,639 0.113,640 -0.022,641 0.139,642 0.124,643 -0.108,644 0.141,645 0.05,646 0.145,647 0.094,648 1.399,649 1.962,650 0.762,651 16.29,652 1,653 1.137,654 3.298,655 10.876,656 0.672,657 3.178,658 3.497,659 3.714,660 3.951,661 4.205,662 4.159,663 4.174,664 4.277,665 4.369,666 4.317,667 5.72,668 0.631,669 303.83,670 3.178,671 4.71,672 5.541,673 6.409,674 7.258,675 8.127,676 8.983,677 9.853,678 10.714,679 11.586,680 12.8,684 2,685 1,690 2,695 4,696 2,700 6,702 12,711 2,712 1,717 1,718 39,719 12,720 1,721 23,723 41,724 15,725 10,726 2,727 4,729 3,730 4,731 1,736 3,737 1,739 3,741 10,742 5,743 1,753 1,754 1,757 18,758 5,759 5,760 6,761 1,764 5,769 0.667,776 1,781 3,785 1,802 2,807 1,810 21,811 2,816 4,817 1,820 1,828 1,836 10.833,837 6.626,838 4.556,839 2.27,840 2.192,841 1.322,842 1.005,843 4.173,844 9.003,845 3.401,846 3.989,847 4.483,848 4.984,849 5.481,850 5.452,851 5.435,852 5.666,853 5.946,854 6.065,855 0.857,856 31,857 7.717,859 3.258,860 7.688,861 14.888,863 12.396,865 2.188,866 45.944,867 0.001,870 153.024,871 64.041,872 117.376,873 39.149,877 64.041,878 192.173,879 117.376,881 9.709,882 103.699,883 51.582,884 12.2,885 4.227,886 153.024,887 39.149,888 153.024,889 181.417,891 39.149,893 141.253,894 11.771,897 14.365,898 115.47,899 90.73,901 153.024,902 117.376,903 103.19,906 153.024,907 26.136,908 37.905,909 18.011,910 138.514,911 153.024,912 117.376,913 103.19,915 0.586,916 0.329,917 0.173,918 0.101,919 16,920 7,921 0.073,922 3,923 1,924 1.125,925 3.403,926 157.042,927 0.125,928 16,929 88.239,933 14.419,934 6.078,935 3.39,937 117.376,938 7.734,939 8.347,943 4.667,945 83.805,946 373.59,947 29,956 39.018,957 44.342,958 0.295,959 0.699,960 0.845,961 0.903,962 0.903,963 0.903,964 4.635,965 1,966 5.525,967 2.565,968 4.174,969 4.673,970 0.278,971 6.293,972 4.07,973 5.83,974 0.771,975 7.059,976 2.275,977 3.761,978 4.477,980 7.081,981 3.568,982 7.127,983 0.087,984 8.684,985 1.81,986 5.733,987 6.815,988 0.05,989 10.141,990 5.55,991 8.451,992 -0.233,993 10.361,994 0.211,995 6.066,996 7.365,998 11.738,999 5.816,1000 9.803,1001 -0.448,1002 12.073,1003 -0.526,1004 7.541,1005 9.227,1006 0.008,1007 14.336,1008 7.296,1009 11.175,1010 -0.778,1011 13.81,1012 -1.155,1013 8.245,1014 10.149,1016 16.322,1017 7.954,1018 12.562,1019 -0.816,1020 15.568,1021 -1.975,1022 9.506,1023 11.794,1024 0.001,1025 18.75,1026 9.211,1027 3.079,1028 -1,1029 17.342,1030 -2.38,1031 10.409,1032 12.922,1034 20.923,1035 10.078,1036 2.632,1037 10.175,1038 19.131,1039 -2.876,1040 11.576,1041 14.454,1043 23.286,1044 11.233,1045 2.399,1046 7.253,1047 20.933,1048 4.091,1049 12.583,1050 15.698,1052 25.541,1053 12.21,1054 2.104,1055 6.783,1056 22.746,1057 3.615,1058 13.713,1059 17.169,1061 27.878,1062 13.321,1063 2.02,1064 5.811,1065 24.569,1066 2.838,1067 14.774,1068 18.48,1070 30.17,1071 14.354,1072 1.938,1073 5.781,1074 26.399,1075 2.712,1076 15.891,1077 19.918,1079 32.497,1080 15.449,1081 1.009,1082 5.619,1083 28.237,1084 2.562,1085 16.979,1086 21.267,1088 34.804,1089 16.51,1090 4506,1091 7787,1092 15.315,1093 26.216,1094 34.224,1095 34.78,1096 34.962,1097 34.267,1098 34.079,1099 43.182,1100 0.8,1101 96.565,1102 32.118,1103 5.362,1104 5.269,1105 5.916,1106 5.12,1107 5.079,1108 7.091,1109 0.8,1110 17.069,1111 4.99,1112 9.979,1113 1.488,1114 1.512,1115 1.52,1116 1.49,1117 1.482,1118 1.877,1119 0.035,1120 4.198,1121 1.396,1122 4.006,1123 4.053,1124 4.003,1125 3.896,1126 5.282,1127 3.899,1128 3.889,1129 3.921,1130 3.924,1131 3.817,1132 4.978,1133 3.814,1134 3.576,1135 3.647,1136 3.517,1137 3.389,1138 4.948,1139 3.404,1140 3.236,1141 3.323,1142 3.327,1143 3.043,1144 4.48,1145 3.038,1146 3.138,1147 3.244,1148 3.027,1149 2.903,1150 4.401,1151 2.912,1152 2.921,1153 3.02,1154 2.942,1155 2.735,1156 4.051,1157 2.733,1158 2.854,1159 2.925,1160 2.687,1161 2.734,1162 3.799,1163 2.715,1164 2.799,1165 2.902,1166 2.602,1167 2.5,1168 3.674,1169 2.512,1170 0.192,1171 0.142,1172 0.283,1173 0.176,1174 0.134,1175 4.417,1176 0.178,1177 3.269,1178 0.017,1179 6.502,1180 0.442,1181 4.048,1182 0.13,1183 3.079,1184 4.091,1185 0.4,1186 10.175,1187 2.99,1188 1.952,1189 1.912,1190 2.092,1191 2.092,1192 1.45,1193 2.093,1194 1.871,1195 1.844,1196 1.965,1197 1.968,1198 1.068,1199 1.974,1200 1.52,1201 1.455,1202 1.67,1203 1.744,1204 0.842,1205 1.736,1206 1.217,1207 1.136,1208 1.515,1209 1.46,1210 0.746,1211 1.483,1212 1.065,1213 0.978,1214 1.337,1215 1.395,1216 0.402,1217 1.385,1218 0.886,1219 0.821,1220 1.21,1221 1.192,1222 0.218,1223 1.222,1224 0.871,1225 0.791,1226 1.181,1227 1.062,1228 0.096,1229 1.107,1230 0.753,1231 0.64,1232 1.064,1233 1.051,1234 0.052,1235 1.066,1236 3.85,1238 5.165,1240 6.673,1242 8.274,1244 9.923,1247 5.881,1250 11.601,1252 3.76,1253 3.438,1256 0.516,1262 24.622,1263 60.859,1264 143.992,1265 174.131,1266 186.131,1267 186.131,1268 186.131,1269 29.171,1270 6.811,1271 89.85,1272 89.85,1273 18,1274 12.13,1275 3.7,1276 2.807,1277 32.418,1278 72,1279 73,1280 0.222,1281 157.215,1282 263.55,1283 375.365,1284 7763,1285 2.6,1286 14.82,1287 0.706,1288 0.59,1289 15.32,1290 12.398,1291 10.114,1292 0.44,1293 0.322,1294 6.978,1295 9.535,1296 6.805,1297 5.617,1298 10.403,1299 7.395,1300 9.36,1301 0.293,1302 0.182,1303 9.768,1304 5.825,1305 7.485,1306 0.187,1307 0.103,1308 7.774,1309 4.115,1310 6.123,1311 0.12,1312 0.056,1313 6.289,1314 2.86,1315 5.137,1316 0.078,1317 0.033,1318 5.372,1319 2.177,1320 0.351,1321 65.709,1322 0.256,1323 21.037,1324 0.599,1325 110,1326 280.451,1327 133.623,1328 311.787,1329 420.86,1330 290,1331 127,1332 293.877,1333 144.252,1334 309.544,1335 448.36,1336 292,1337 6.893}
{0 CHEMBL122214,1 1.889,2 10.148,3 2.804,4 7.862,5 113.455,6 9.668,7 0.552,8 3.973,9 4.083,10 3.789,11 3.479,12 5.155,13 3.459,14 4.472,15 4.64,16 4.354,17 3.865,18 5.591,19 3.82,20 4.533,21 4.65,22 4.373,23 4.013,24 5.691,25 3.97,26 4.771,27 4.923,28 4.47,29 4.119,30 5.897,31 4.035,32 4.912,33 5.11,34 4.449,35 4.146,36 5.933,37 4.021,38 4.85,39 5.049,40 4.206,41 4.076,42 5.813,43 3.92,44 4.766,45 5.009,46 4.001,47 3.955,48 5.704,49 3.785,50 4.703,51 4.992,52 4.169,53 3.745,54 5.595,55 3.629,56 0.132,57 0.716,58 6.83,59 4.201,60 12.423,61 4.704,62 0.528,63 1.07,64 29.736,65 7.723,66 33.798,67 7.962,68 0.455,69 1.211,70 14.317,71 7.593,72 20.639,73 8.457,74 0.567,75 1.452,76 33.995,77 10.365,78 32.912,79 12.456,80 0.843,81 1.482,82 38.871,83 12.184,84 55.29,85 13.69,86 0.762,87 1.352,88 53.44,89 12.531,90 45.338,91 13.631,92 0.596,93 1.26,94 47.447,95 11.37,96 47.235,97 13.475,98 0.6,99 1.086,100 42.083,101 10.211,102 42.909,103 13.059,104 59,105 42,106 0.324,107 0.647,108 0.738,109 0.762,110 0.773,111 0.803,112 3.34,113 0.984,114 -2.77,115 -2.78,116 -2.7,118 1,119 36.2,124 4,125 1,139 2,140 2,141 4,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 1,169 1,170 8,172 3,173 3,175 1,178 5,180 1,181 2,182 5,187 1,189 1,191 1,192 3,193 6,195 1,196 1,197 1,198 3,200 2,201 2,204 3,205 1,206 3,207 1,209 1,210 1,212 2,215 2,218 2,221 2,226 1,229 4,231 1,234 7,236 1,237 1,239 2,243 2,246 5,259 4,260 2,262 2,263 2,265 2,270 2,273 1026,274 17.989,275 17.989,276 17.989,277 17.989,278 17.989,279 16.009,280 26.993,281 10.168,282 19.131,283 14.081,284 14.081,285 14.081,286 14.081,287 14.081,288 10.842,289 38.957,290 4.516,291 15.734,292 3.666,293 1.778,294 1.251,295 1.107,296 1.049,297 0.873,298 4.014,301 1,302 1,303 573,304 3.464,306 60.6,307 163.837,310 113.989,314 1.35,315 25.66,318 1,319 0.83,320 1,321 1,322 0.5,323 1,324 1,325 0.9,326 59.25,327 274,328 4.706,329 3.468,330 6.91,331 4.206,332 3.275,333 4.679,334 0.916,335 11.589,336 3.057,337 4.439,338 3.377,339 6.546,340 4.031,341 3.088,342 4.118,343 0.86,344 10.343,345 2.906,346 3.879,347 2.931,348 5.979,349 3.546,350 2.624,351 3.329,352 0.86,353 8.395,354 2.414,355 3.736,356 2.718,357 5.65,358 3.298,359 2.413,360 3.045,361 0.86,362 7.327,363 2.137,364 3.436,365 2.555,366 5.19,367 2.972,368 2.061,369 2.813,370 0.172,371 6.118,372 1.867,373 3.355,374 2.229,375 5.141,376 2.91,377 2.034,378 2.604,380 6.029,381 1.758,382 3.218,383 2.029,384 4.942,385 2.717,386 1.823,387 2.486,389 5.482,390 1.613,391 2.719,392 1.952,393 4.398,394 2.341,395 1.476,396 1.763,398 4.088,399 1.227,400 2.396,401 1.792,402 4.115,403 1.995,404 1.177,405 1.374,407 3.078,408 0.903,409 2.09,410 1.304,411 3.639,412 1.818,413 0.957,414 1.061,415 2.069,416 0.794,417 1.576,418 0.953,419 2.916,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.4,426 0.916,427 2.859,428 1.149,429 0.31,430 0.331,431 0.397,432 0.258,433 1.172,434 0.346,435 2.728,436 0.871,437 -0.04,438 -0.045,439 -0.104,440 -0.032,441 1.127,442 0.106,443 2.495,444 0.581,445 -0.249,446 -0.332,448 -0.669,449 -0.177,450 0.778,451 0.006,452 2.442,453 0.425,454 -0.473,455 -0.545,457 -0.842,458 -0.409,459 13.667,460 0.506,461 0.784,462 0.029,463 35.25,464 1.306,465 17,466 0.63,467 18.25,468 0.676,469 26.216,470 0.971,471 29.533,472 0.628,473 25.27,474 0.936,475 6.925,476 0.256,477 5.963,478 0.221,479 0.302,481 0.395,485 1.014,486 1.36,487 0.529,488 0.883,489 1.164,490 0.871,491 1.304,492 0.658,493 0.479,494 0.457,495 0.807,496 0.47,497 0.939,498 1.225,499 0.757,500 0.85,501 0.857,502 0.905,503 0.655,504 1.439,505 1.021,506 1.352,507 0.665,508 1.247,509 1.246,510 0.898,511 0.93,512 0.975,513 1.182,514 1.059,515 1.39,516 1.038,517 1.529,518 1.215,519 1.038,520 1.236,521 0.949,522 0.905,523 1.244,524 1.053,525 1.029,526 1.095,527 0.593,528 0.778,529 0.522,530 0.716,531 0.647,532 0.614,533 6.5,534 0.144,535 3.556,536 3.042,537 2.329,538 1.393,539 0.477,540 0.392,541 0.462,542 0.292,543 7706,544 26361,545 1.971,546 42.6,548 16,551 4,555 1.704,556 1.78,557 3.282,558 1.808,560 1,564 88.776,565 1.889,566 3.777,567 4.304,568 4.447,569 4.506,570 4.682,571 2.689,572 4.255,573 4.73,574 3.429,575 1203.72,576 8.227,577 15104.8,579 1,582 261.066,583 1.561,584 4.646,585 0.224,586 0.008,587 0.085,588 0.065,589 0.051,590 0.036,591 0.015,592 0.014,593 0.016,594 0.011,595 0.524,596 0.17,597 1,598 1.033,599 132.178,600 -0.142,601 -0.163,602 0.005,603 -0.019,604 -0.235,605 0.008,606 -0.125,607 0.411,608 0.202,609 0.461,610 0.109,611 0.439,612 0.022,613 -0.069,614 0.005,615 0.055,616 -0.039,617 -0.013,618 0.215,619 -0.372,620 -0.039,621 -0.326,622 0.153,623 -0.273,624 -0.153,625 0.08,626 -0.008,627 0.003,628 -0.189,629 -0.096,630 -0.302,631 -0.108,632 -0.196,633 -0.135,634 -0.199,635 -0.226,636 -0.121,637 0.023,638 -0.109,639 -0.048,640 -0.138,641 -0.07,642 0.246,643 0.041,644 0.265,645 0.187,646 0.245,647 0.433,648 1.502,649 2.094,650 0.556,651 21.333,652 1.018,653 1.132,654 1.536,655 2.36,656 0.691,657 3.401,658 3.761,659 4.078,660 4.382,661 4.575,662 4.644,663 4.663,664 4.71,665 4.745,666 4.779,667 5.975,668 0.653,669 454.39,670 3.401,671 4.963,672 5.838,673 6.746,674 7.641,675 8.552,676 9.452,677 10.364,678 11.266,679 12.179,680 10.6,684 2,686 1,690 2,694 2,695 2,696 2,699 1,700 8,702 16,711 2,714 1,716 3,717 1,718 47,719 16,720 1,721 29,722 1,723 49,724 17,725 12,726 4,727 2,729 3,730 4,741 12,742 5,754 1,757 20,758 8,759 4,760 10,761 2,764 5,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,804 1,805 1,806 4,810 27,811 2,816 1,818 3,821 1,825 1,828 1,829 6.4,834 3,836 15.167,837 9.743,838 6.111,839 2.294,840 3.123,841 1.428,842 0.974,843 6.299,844 10.422,845 3.638,846 4.314,847 4.967,848 5.607,849 6.111,850 6.415,851 6.691,852 6.987,853 7.119,854 7.357,855 0.857,856 47,857 9.883,859 4.057,860 7.769,861 18.612,863 14.599,865 2.269,866 61.25,869 1,870 188.338,871 123.399,872 148.444,874 33,876 31.278,877 138.075,878 221.337,879 102.49,880 41.046,881 2.106,882 84.747,883 33.888,884 61.597,885 4.227,886 265.569,888 188.338,889 194.611,890 33,891 31.278,892 45.954,893 188.338,894 33,897 5.55,898 155.49,899 33.571,900 77.232,901 188.338,902 135.489,903 169.353,906 188.338,907 63.401,908 63.122,909 45.954,910 132.365,911 188.338,912 135.489,913 169.353,915 0.584,916 0.368,917 0.212,918 0.114,919 20,920 11,921 0.122,922 6,923 1,924 1.133,925 3.634,926 234.979,927 0.133,928 15,929 120.382,930 1,933 20.385,934 8.343,935 3.94,936 1.556,937 135.489,938 3.781,939 8.364,942 1.475,943 5.073,945 65.794,946 493.18,947 37,956 47.865,957 53.203,958 0.34,959 0.68,960 0.775,961 0.801,962 0.811,963 0.843,964 4.898,965 1.476,966 5.861,967 5.482,968 4.443,969 5.001,970 1.938,971 6.739,972 4.247,973 6.146,974 1.177,975 7.469,976 4.088,977 4.205,978 5.047,979 0.325,980 7.769,981 3.941,982 7.493,983 0.957,984 9.173,985 3.078,986 6.107,987 7.324,988 1.656,989 10.89,990 5.78,991 8.878,992 0.396,993 10.931,994 2.069,995 6.648,996 8.162,997 0.393,998 12.722,999 6.257,1000 10.293,1001 0.31,1002 12.723,1003 0.603,1004 8.067,1005 9.969,1006 1.418,1007 15.382,1008 7.623,1009 11.73,1010 -0.04,1011 14.538,1012 0.397,1013 8.956,1014 11.175,1015 0.384,1016 17.559,1017 8.447,1018 13.184,1019 -0.249,1020 16.372,1021 -0.104,1022 10.202,1023 12.805,1024 1.207,1025 20.062,1026 9.641,1027 3.275,1028 -0.473,1029 18.219,1030 -0.669,1031 11.246,1032 14.185,1033 0.351,1034 22.385,1035 10.619,1036 3.088,1037 11.589,1038 20.078,1039 -0.842,1040 12.432,1041 15.747,1042 1.019,1043 24.835,1044 11.749,1045 2.624,1046 10.343,1047 21.947,1048 4.679,1049 13.544,1050 17.207,1051 0.312,1052 27.22,1053 12.794,1054 2.413,1055 8.395,1056 23.824,1057 4.118,1058 14.711,1059 18.745,1060 0.852,1061 29.655,1062 13.902,1063 2.061,1064 7.327,1065 25.707,1066 3.329,1067 15.853,1068 20.242,1069 0.273,1070 32.067,1071 14.976,1072 2.034,1073 6.118,1074 27.596,1075 3.045,1076 17.017,1077 21.773,1078 0.706,1079 34.499,1080 16.078,1081 1.823,1082 6.029,1083 29.49,1084 2.813,1085 18.173,1086 23.288,1087 0.236,1088 36.924,1089 17.167,1090 7713,1091 14420,1092 18.323,1093 32.483,1094 43.279,1095 44.788,1096 47.128,1097 43.317,1098 43.267,1099 56.112,1100 7.338,1101 131.036,1102 38.554,1103 5.554,1104 5.468,1105 6.452,1106 5.343,1107 5.275,1108 7.679,1109 1.776,1110 18.643,1111 5.057,1112 17.513,1113 1.492,1114 1.544,1115 1.625,1116 1.494,1117 1.492,1118 1.935,1119 0.253,1120 4.518,1121 1.329,1122 4.077,1123 4.096,1124 6.885,1125 4.073,1126 5.303,1127 4.019,1128 3.929,1129 3.942,1130 4.243,1131 3.829,1132 4.983,1133 3.84,1134 3.509,1135 3.577,1136 3.908,1137 3.289,1138 4.973,1139 3.307,1140 3.317,1141 3.374,1142 3.45,1143 3.164,1144 4.621,1145 3.135,1146 3.303,1147 3.355,1148 3.369,1149 3.006,1150 4.58,1151 3.026,1152 3.215,1153 3.292,1154 3.144,1155 2.922,1156 4.467,1157 2.916,1158 3.111,1159 3.204,1160 3.05,1161 2.878,1162 4.309,1163 2.86,1164 3.072,1165 3.188,1166 2.982,1167 2.807,1168 4.072,1169 2.805,1170 0.162,1171 0.12,1172 0.238,1173 0.145,1174 0.113,1175 4.706,1176 0.161,1177 3.468,1178 0.032,1179 6.91,1180 0.4,1181 4.206,1182 0.105,1183 3.275,1184 4.679,1185 0.916,1186 11.589,1187 3.057,1188 1.895,1189 1.877,1190 1.976,1191 2.034,1192 1.164,1193 2.017,1194 1.808,1195 1.781,1196 1.845,1197 1.964,1198 1.011,1199 1.935,1200 1.516,1201 1.497,1202 1.669,1203 1.715,1204 0.763,1205 1.714,1206 1.263,1207 1.218,1208 1.59,1209 1.558,1210 0.599,1211 1.565,1212 1.227,1213 1.163,1214 1.57,1215 1.51,1216 0.584,1217 1.529,1218 1.17,1219 1.085,1220 1.509,1221 1.45,1222 0.57,1223 1.474,1224 1.106,1225 1.013,1226 1.423,1227 1.378,1228 0.544,1229 1.415,1230 0.977,1231 0.911,1232 1.249,1233 1.286,1234 0.242,1235 1.307,1236 4.078,1238 5.425,1239 2.398,1240 6.973,1241 4.844,1242 8.617,1243 7.034,1244 10.312,1245 3.607,1246 6.719,1250 11.801,1252 0.566,1254 16.26,1257 2.048,1262 30.678,1263 88.776,1264 177.498,1265 202.272,1266 209.027,1267 211.781,1268 220.046,1269 44.567,1270 7.299,1271 108.75,1272 136.99,1273 17,1274 12.694,1275 4.087,1276 3.17,1277 46.86,1278 98,1279 90,1280 0.24,1281 200.173,1282 333.56,1283 480.183,1284 13345,1285 2.1,1286 19.715,1287 0.73,1288 0.658,1289 21.068,1290 17.772,1291 12.888,1292 0.444,1293 0.328,1294 7.814,1295 11.305,1296 7.367,1297 6.184,1298 13.873,1299 9.511,1300 11.621,1301 0.277,1302 0.192,1303 13.269,1304 8.058,1305 9.971,1306 0.172,1307 0.104,1308 11.461,1309 6.011,1310 8.773,1311 0.111,1312 0.058,1313 10.511,1314 4.546,1315 6.831,1316 0.071,1317 0.034,1318 8.605,1319 3.29,1320 0.37,1321 95.18,1322 0.234,1323 25.452,1324 0.679,1325 142,1326 474.281,1327 270.034,1328 504.853,1329 679.12,1330 472,1331 171,1332 456.901,1333 244.48,1334 495.49,1335 727.85,1336 457,1337 4.553}
{0 CHEMBL122259,1 1.917,2 9.417,3 2.467,4 6.085,5 102.757,6 10.258,7 0.615,8 3.823,9 3.934,10 3.691,11 3.375,12 5.023,13 3.349,14 4.295,15 4.445,16 4.273,17 3.766,18 5.466,19 3.705,20 4.389,21 4.531,22 4.236,23 3.858,24 5.53,25 3.799,26 4.526,27 4.678,28 4.292,29 3.894,30 5.671,31 3.794,32 4.607,33 4.828,34 4.156,35 3.855,36 5.642,37 3.698,38 4.463,39 4.703,40 4.011,41 3.72,42 5.395,43 3.58,44 4.325,45 4.5,46 4.113,47 3.666,48 5.4,49 3.561,50 4.264,51 4.449,52 4.076,53 3.593,54 5.421,55 3.487,56 0.126,57 0.631,58 4.691,59 3.432,60 12.1,61 3.643,62 0.388,63 0.946,64 23.399,65 6.731,66 28.328,67 6.635,68 0.323,69 1.051,70 11.846,71 6.499,72 19.692,73 6.938,74 0.422,75 1.187,76 27.234,77 8.104,78 28.592,79 8.962,80 0.633,81 1.163,82 34.254,83 9.424,84 46.799,85 10.449,86 0.409,87 0.939,88 32.768,89 8.523,90 32.092,91 10.065,92 0.446,93 0.835,94 33.96,95 8.041,96 29.805,97 7.925,98 0.412,99 0.83,100 22.758,101 6.801,102 28.438,103 7.306,104 30,105 37,106 0.34,107 0.699,108 0.782,109 0.83,110 0.848,111 0.874,112 3.229,113 0.992,114 -3.04,115 -3.04,116 -2.93,118 1,119 37.5,124 2,125 1,139 3,140 2,141 3,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 2,169 1,170 6,172 3,173 3,175 3,178 5,180 1,182 5,185 1,187 3,189 2,191 1,193 2,195 1,196 2,197 1,198 6,200 2,201 1,204 3,205 1,206 1,207 2,210 2,211 1,212 2,214 1,215 2,218 2,221 2,226 1,229 4,231 1,234 5,238 1,239 1,240 1,241 3,243 1,245 2,246 4,248 1,249 1,251 1,254 2,256 1,259 2,260 2,262 1,263 1,265 2,270 2,273 752,274 16.118,275 16.118,276 16.118,277 16.118,278 16.118,279 14.115,280 23.184,281 9.239,282 17.056,283 12.681,284 12.681,285 12.681,286 12.681,287 12.681,288 9.511,289 32.758,290 4.194,291 14.103,292 3.405,293 1.378,294 0.907,295 0.638,296 0.538,297 0.388,298 3.906,301 1,302 1,303 477,304 2.915,306 49.812,307 138.795,310 94.2,314 1.25,315 22.544,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 52.25,327 226,328 4.703,329 3.439,330 6.903,331 4.195,332 3.265,333 4.678,334 0.86,335 11.557,336 3.046,337 4.265,338 3.146,339 6.172,340 3.855,341 2.901,342 3.91,343 0.86,344 9.169,345 2.763,346 3.836,347 2.743,348 5.675,349 3.356,350 2.467,351 3.318,352 0.657,353 7.409,354 2.191,355 3.544,356 2.681,357 5.221,358 3.158,359 2.24,360 2.856,362 6.492,363 2.047,364 3.438,365 2.266,366 5.141,367 2.91,368 2.036,369 2.815,371 6.03,372 1.762,373 3.226,374 2.095,375 4.942,376 2.748,377 1.849,378 2.491,380 5.478,381 1.648,382 2.938,383 1.945,384 4.428,385 2.542,386 1.638,387 2.075,389 4.345,390 1.465,391 2.593,392 1.704,393 4.23,394 2.108,395 1.283,396 1.619,398 3.531,399 0.937,400 1.997,401 1.243,402 3.322,403 1.675,404 0.788,405 0.918,407 1.62,408 0.69,409 1.75,410 0.917,411 3.023,412 1.463,413 0.565,414 0.653,415 1.159,416 0.503,417 1.448,418 0.76,419 2.732,420 1.179,421 0.323,422 0.355,423 0.445,424 0.274,425 1.143,426 0.234,427 2.714,428 0.708,429 -0.212,430 -0.253,431 -0.498,432 -0.16,433 1.007,434 0.029,435 2.517,436 0.562,437 -0.261,438 -0.339,439 -0.674,440 -0.194,441 0.734,442 -0.131,443 2.365,444 0.364,445 -0.54,446 -0.64,448 -1.125,449 -0.441,450 0.638,451 -0.317,452 2.216,453 0.235,454 -0.608,455 -0.699,457 -1.372,458 -0.484,459 12.333,460 0.514,461 0.644,462 0.027,463 32.5,464 1.354,465 16.5,466 0.688,467 16,468 0.667,469 20.946,470 0.873,471 25.467,472 0.637,473 21.043,474 0.877,475 6.26,476 0.261,477 5.268,478 0.22,479 0.254,481 0.365,485 1.058,486 1.178,487 0.519,488 0.749,489 1.228,490 0.76,491 1.152,492 0.777,493 0.479,494 0.563,495 0.728,496 0.596,497 1.109,498 1.166,499 0.749,500 0.782,501 0.951,502 0.853,503 0.853,504 1.505,505 1.144,506 1.417,507 0.836,508 1.322,509 0.883,510 0.882,511 1.079,512 1.105,513 1.075,514 1.135,515 0.88,516 0.786,517 1.055,518 0.842,519 0.713,520 0.863,521 1.294,522 0.89,523 1.516,524 1.142,525 0.996,526 0.936,527 0.747,528 1.056,529 1.076,530 1.101,531 0.787,532 1.008,533 5.5,534 0.091,535 2.889,536 2.479,537 1.543,538 0.799,539 0.484,540 0.398,541 0.326,542 0.178,543 5841,544 20112,545 2.015,546 40,548 11,551 5,555 1.672,556 1.846,557 3.194,558 2.743,559 1,560 1,564 76.664,565 1.917,566 3.944,567 4.415,568 4.684,569 4.784,570 4.934,571 2.594,572 4.335,573 4.56,574 3.327,575 918.337,576 7.881,577 10718.6,579 1,581 1,582 212.877,583 1.528,584 4.493,585 0.212,586 0.01,587 0.078,588 0.064,589 0.044,590 0.03,591 0.019,592 0.014,593 0.013,594 0.01,595 0.492,596 0.17,597 1,598 0.961,599 113.108,600 -0.193,601 -0.016,602 -0.004,603 0.063,604 -0.295,605 0.066,606 -0.046,607 0.284,608 0.184,609 0.347,610 0.143,611 0.3,612 -0.155,613 -0.081,614 0.012,615 0.085,616 -0.126,617 0.02,618 0.054,619 -0.454,620 -0.085,621 -0.386,622 0.024,623 -0.377,624 0.019,625 0.107,626 -0.048,627 -0.088,628 -0.114,629 -0.141,630 -0.012,631 0.077,632 0.041,633 0.131,634 0.082,635 0.189,636 -0.081,637 0.021,638 -0.06,639 0.005,640 -0.021,641 0.093,642 0.245,643 -0.067,644 0.037,645 -0.064,646 0.171,647 -0.024,648 1.497,649 2.024,650 0.625,651 17.639,652 1.019,653 1.129,654 1.809,655 3.274,656 0.713,657 3.296,658 3.638,659 3.932,660 4.22,661 4.394,662 4.466,663 4.489,664 4.543,665 4.554,666 4.564,667 5.62,668 0.673,669 410.33,670 3.296,671 4.844,672 5.707,673 6.603,674 7.484,675 8.385,676 9.273,677 10.177,678 11.069,679 11.973,680 12.5,684 2,685 1,690 2,694 2,695 3,696 2,699 1,700 7,702 16,711 2,712 1,716 2,717 1,718 40,719 16,720 1,721 26,722 1,723 42,724 15,725 12,726 3,727 3,729 3,730 4,741 12,742 3,754 1,757 16,758 7,759 5,760 9,761 2,764 5,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,804 1,805 1,806 2,810 24,811 2,816 1,817 1,818 2,825 1,828 1,829 5,834 2,836 13,837 7.71,838 5.389,839 1.972,840 3.195,841 1.45,842 1.001,843 5.317,844 10.289,845 3.555,846 4.23,847 4.872,848 5.506,849 6.005,850 6.287,851 6.559,852 6.888,853 6.99,854 7.192,855 1,856 39,857 8.774,859 3.635,860 7.774,861 16.521,863 13.088,865 2.274,866 54.583,869 1,870 129.482,871 108.352,872 163.33,874 22,876 31.278,877 123.029,878 151.482,879 117.376,880 21.766,881 2.106,882 94.223,883 51.899,884 42.23,885 4.227,886 206.714,888 129.482,889 194.451,890 22,891 31.278,892 45.954,893 129.482,894 22,897 5.55,898 137.319,899 51.582,900 77.232,901 129.482,902 139.376,903 154.306,906 129.482,907 58.157,908 50.195,909 63.965,910 121.365,911 129.482,912 139.376,913 154.306,915 0.582,916 0.356,917 0.198,918 0.105,919 18,920 9,921 0.119,922 5,923 1,924 1.133,925 3.499,926 196.08,927 0.133,928 15,929 110.039,930 1,933 17.509,934 7.288,935 3.555,936 1.553,937 139.376,938 5.563,939 8.286,942 1.469,943 4.716,945 83.805,946 423.164,947 34,956 40.771,957 45.163,958 0.36,959 0.741,960 0.83,961 0.88,962 0.899,963 0.927,964 4.796,965 1.283,966 5.714,967 4.345,968 4.317,969 4.916,970 1.573,971 6.561,972 4.13,973 6.038,974 0.788,975 7.299,976 3.531,977 4.007,978 4.913,980 7.538,981 3.744,982 7.376,983 0.565,984 8.982,985 1.62,986 5.948,987 7.237,988 1.27,989 10.65,990 5.632,991 8.752,992 0.323,993 10.72,994 1.159,995 6.431,996 8.04,998 12.467,999 6.049,1000 10.16,1001 -0.212,1002 12.495,1003 0.445,1004 7.873,1005 9.875,1006 1.022,1007 15.119,1008 7.444,1009 11.59,1010 -0.261,1011 14.297,1012 -0.498,1013 8.726,1014 11.062,1016 17.303,1017 8.231,1018 13.039,1019 -0.54,1020 16.12,1021 -0.674,1022 9.981,1023 12.707,1024 0.818,1025 19.805,1026 9.438,1027 3.265,1028 -0.608,1029 17.959,1030 -1.125,1031 11.006,1032 14.08,1034 22.142,1035 10.394,1036 2.901,1037 11.557,1038 19.813,1039 -1.372,1040 12.194,1041 15.651,1042 0.65,1043 24.597,1044 11.528,1045 2.467,1046 9.169,1047 21.678,1048 4.678,1049 13.297,1050 17.111,1052 26.996,1053 12.561,1054 2.24,1055 7.409,1056 23.553,1057 3.91,1058 14.465,1059 18.656,1060 0.511,1061 29.439,1062 13.669,1063 2.036,1064 6.492,1065 25.437,1066 3.318,1067 15.602,1068 20.156,1070 31.863,1071 14.736,1072 1.849,1073 6.03,1074 27.327,1075 2.856,1076 16.767,1077 21.693,1078 0.399,1079 34.304,1080 15.836,1081 1.638,1082 5.478,1083 29.223,1084 2.815,1085 17.921,1086 23.213,1088 36.74,1089 16.92,1090 5800,1091 10911,1092 16.819,1093 28.506,1094 38.707,1095 39.785,1096 41.194,1097 38.832,1098 38.707,1099 51.379,1100 4.755,1101 114.471,1102 34.65,1103 5.554,1104 5.439,1105 6.472,1106 5.332,1107 5.265,1108 7.678,1109 1.72,1110 18.597,1111 5.046,1112 13.803,1113 1.489,1114 1.53,1115 1.584,1116 1.494,1117 1.489,1118 1.976,1119 0.183,1120 4.403,1121 1.333,1122 4.072,1123 4.091,1124 6.885,1125 4.071,1126 5.303,1127 4.016,1128 3.911,1129 3.93,1130 4.242,1131 3.821,1132 4.981,1133 3.826,1134 3.452,1135 3.521,1136 3.876,1137 3.267,1138 4.927,1139 3.272,1140 3.322,1141 3.369,1142 3.448,1143 3.06,1144 4.623,1145 3.062,1146 3.177,1147 3.256,1148 3.252,1149 2.994,1150 4.6,1151 2.961,1152 3.107,1153 3.194,1154 3.152,1155 2.865,1156 4.235,1157 2.852,1158 3.069,1159 3.18,1160 2.956,1161 2.777,1162 4.091,1163 2.794,1164 2.768,1165 2.843,1166 2.88,1167 2.63,1168 3.924,1169 2.609,1170 0.181,1171 0.132,1172 0.266,1173 0.161,1174 0.126,1175 4.703,1176 0.18,1177 3.439,1178 0.033,1179 6.903,1180 0.444,1181 4.195,1182 0.117,1183 3.265,1184 4.678,1185 0.86,1186 11.557,1187 3.046,1188 1.889,1189 1.868,1190 1.978,1191 2.021,1192 1.125,1193 2.008,1194 1.809,1195 1.781,1196 1.848,1197 1.961,1198 1.011,1199 1.935,1200 1.49,1201 1.48,1202 1.596,1203 1.64,1204 0.725,1205 1.649,1206 1.238,1207 1.18,1208 1.572,1209 1.563,1210 0.586,1211 1.569,1212 1.136,1213 1.048,1214 1.524,1215 1.435,1216 0.557,1217 1.471,1218 1.046,1219 0.997,1220 1.269,1221 1.362,1222 0.32,1223 1.351,1224 0.969,1225 0.882,1226 1.123,1227 1.14,1228 0.157,1229 1.191,1230 0.841,1231 0.75,1232 1.026,1233 1.092,1235 1.12,1236 3.97,1238 5.303,1239 2.398,1240 6.834,1241 4.844,1242 8.46,1243 7.034,1244 10.136,1245 3.564,1246 3.245,1250 11.686,1252 0.515,1253 3.345,1254 10.64,1262 26.91,1263 76.664,1264 157.758,1265 176.612,1266 187.367,1267 191.367,1268 197.367,1269 34.764,1270 7.093,1271 108.31,1272 136.55,1273 17,1274 12.495,1275 4.087,1276 3.17,1277 39.18,1278 82,1279 76,1280 0.24,1281 176.992,1282 290.17,1283 423.621,1284 10689,1285 2.5,1286 17.267,1287 0.719,1288 0.646,1289 18.621,1290 15.493,1291 11.528,1292 0.443,1293 0.331,1294 6.956,1295 10.129,1296 6.623,1297 5.518,1298 12.514,1299 8.598,1300 10.361,1301 0.28,1302 0.196,1303 12.009,1304 7.238,1305 8.801,1306 0.176,1307 0.108,1308 10.291,1309 5.387,1310 7.652,1311 0.114,1312 0.061,1313 9.432,1314 4.104,1315 5.736,1316 0.072,1317 0.034,1318 7.362,1319 2.737,1320 0.371,1321 85.703,1322 0.244,1323 23.117,1324 0.677,1325 126,1326 407.233,1327 250.794,1328 447.538,1329 602.89,1330 418,1331 150,1332 403.581,1333 218.994,1334 439.874,1335 645.82,1336 409,1337 4.481}
{0 CHEMBL122704,1 1.558,2 11.75,3 2.445,4 5.976,5 111.57,6 6.799,7 0.4,8 4.132,9 4.267,10 3.611,11 3.55,12 5.211,13 3.541,14 4.687,15 4.891,16 3.942,17 3.938,18 5.668,19 3.905,20 4.864,21 5.05,22 4.078,23 4.148,24 5.831,25 4.083,26 5.089,27 5.334,28 4.073,29 4.217,30 5.996,31 4.118,32 5.135,33 5.371,34 3.907,35 4.212,36 6.021,37 4.085,38 5.146,39 5.434,40 3.721,41 4.148,42 5.916,43 3.964,44 5.038,45 5.347,46 3.642,47 3.991,48 5.751,49 3.827,50 4.817,51 5.08,52 3.562,53 3.877,54 5.678,55 3.745,56 0.046,57 0.822,58 13.549,59 4.802,60 14.06,61 7.035,62 0.418,63 1.238,64 25.304,65 8.032,66 35.941,67 11.614,68 0.385,69 1.535,70 29.339,71 9.919,72 29.999,73 14.901,74 0.468,75 1.7,76 37.843,77 11.767,78 50.064,79 18.245,80 0.709,81 1.686,82 40.465,83 11.805,84 59.601,85 18.151,86 0.605,87 1.595,88 40.951,89 12.708,90 57.025,91 19.695,92 0.519,93 1.365,94 37.285,95 10.773,96 46.585,97 17.211,98 0.449,99 1.208,100 29.408,101 8.469,102 44.29,103 13.258,104 46,105 42,106 0.259,107 0.566,108 0.762,109 0.794,110 0.802,111 0.826,112 3.374,113 0.933,114 -3.19,115 -3.18,116 -3.06,119 35.1,121 3,122 1,124 4,125 2,139 2,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 7,172 3,173 3,175 1,178 5,180 1,181 2,182 11,187 1,189 2,191 1,192 1,193 8,195 1,196 1,197 1,198 4,200 2,201 1,204 4,205 1,206 2,207 1,212 3,215 4,218 3,220 3,223 1,224 1,226 1,229 6,231 1,234 2,241 4,246 7,248 1,249 1,251 1,256 1,260 10,265 2,270 2,273 1180,274 18.798,275 18.798,276 18.798,277 18.798,278 18.798,279 17.245,280 28.998,281 10.847,282 19.585,283 14.619,284 14.619,285 14.619,286 14.619,287 14.619,288 12.056,289 37.626,290 4.89,291 15.605,292 4.275,293 2.426,294 1.242,295 1.053,296 1.005,297 0.86,298 4.053,301 1,302 1,303 691,304 3.536,307 258.7,311 136.131,314 1.714,315 24.887,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 61.5,327 329,328 4.422,329 3.383,330 6.524,331 4.052,332 3.083,333 4.105,334 0.916,335 10.262,336 2.993,337 4.416,338 3.272,339 6.503,340 4.011,341 3.063,342 4.091,343 0.86,344 10.178,345 2.9,346 3.697,347 2.904,348 5.541,349 3.53,350 2.584,351 2.93,352 0.86,353 7.535,354 2.448,355 3.548,356 2.555,357 5.294,358 3.266,359 2.303,360 2.833,361 0.86,362 6.807,363 2.216,364 3.355,365 2.471,366 5.19,367 2.992,368 2.061,369 2.604,370 0.172,371 6.118,372 1.911,373 3.349,374 2.262,375 5.063,376 2.972,377 2.059,378 2.567,380 5.854,381 1.877,382 3.276,383 2.221,384 4.992,385 2.932,386 1.984,387 2.415,389 5.791,390 1.867,391 2.856,392 1.999,393 4.619,394 2.687,395 1.742,396 1.876,398 4.864,399 1.638,400 2.188,401 1.871,402 3.764,403 1.982,404 1.139,405 1.175,407 2.565,408 0.979,409 2.09,410 1.3,411 3.709,412 1.963,413 1.006,414 1.065,415 2.369,416 0.935,417 1.576,418 1.027,419 3.016,420 1.27,421 0.396,422 0.452,423 0.639,424 0.342,425 1.437,426 0.916,427 2.859,428 1.226,429 0.353,430 0.374,431 0.603,432 0.3,433 1.362,434 0.443,435 2.714,436 1.142,437 0.219,438 0.24,439 0.404,440 0.204,441 1.067,442 0.265,443 2.558,444 0.817,445 -0.119,446 -0.135,448 -0.259,449 -0.11,450 0.887,451 -0.082,452 2.489,453 0.527,454 -0.4,455 -0.469,457 -1.021,458 -0.369,459 13,460 0.464,461 0.729,462 0.026,463 33.25,464 1.188,465 14.5,466 0.518,467 18.75,468 0.67,469 26.503,470 0.947,471 32.6,472 0.572,473 25.445,474 0.909,475 6.658,476 0.238,477 6.785,478 0.242,479 0.215,481 0.377,485 0.995,486 1.549,487 0.896,488 1.32,489 1.108,490 1.111,491 1.258,492 0.818,493 0.875,494 0.782,495 0.755,496 0.771,497 0.782,498 1.38,499 1.014,500 1.292,501 0.762,502 1.202,503 0.773,504 1.137,505 0.942,506 1.141,507 0.697,508 1.074,509 1.345,510 1.1,511 1.317,512 1.146,513 1.37,514 1.226,515 0.776,516 0.918,517 1.047,518 1.074,519 0.931,520 1.107,521 0.889,522 0.815,523 0.829,524 0.797,525 0.691,526 0.807,527 1.156,528 0.897,529 1.187,530 1.011,531 1.301,532 1.082,533 7,534 0.227,535 2.889,536 2.688,537 2.102,538 0.986,539 0.628,540 0.302,541 0.332,542 0.148,543 9594,544 25266,545 1.993,546 50.9,547 4,548 18,551 4,552 2,553 1,555 1.708,556 1.826,557 3.494,558 1.698,559 1,560 1,564 88.79,565 1.558,566 3.406,567 4.591,568 4.78,569 4.828,570 4.973,571 2.914,572 4.138,573 4.783,574 3.663,575 1384.69,576 8.301,577 18611.1,579 1,581 1,582 332.475,583 1.531,584 4.714,585 0.233,586 0.01,587 0.069,588 0.058,589 0.048,590 0.028,591 0.022,592 0.011,593 0.013,594 0.006,595 0.499,596 0.17,597 1,598 0.993,599 141.662,600 -0.072,601 -0.204,602 0.053,603 -0.111,604 -0.104,605 -0.014,606 -0.076,607 0.309,608 0.129,609 0.276,610 0.15,611 0.238,612 0.101,613 -0.186,614 -0.065,615 -0.16,616 0.039,617 -0.139,618 0.07,619 -0.089,620 0.017,621 -0.111,622 0.131,623 -0.06,624 -0.203,625 -0.08,626 -0.322,627 -0.143,628 -0.305,629 -0.245,630 0.013,631 0.008,632 -0.093,633 -0.095,634 -0.096,635 -0.114,636 -0.034,637 0.029,638 0.141,639 0.145,640 0.039,641 0.169,642 -0.18,643 0.106,644 -0.205,645 -0.041,646 -0.283,647 -0.11,648 1.408,649 2.066,650 0.571,651 25.153,652 1.002,653 1.142,654 1.959,655 3.838,656 0.623,657 3.434,658 3.761,659 4.025,660 4.304,661 4.489,662 4.511,663 4.564,664 4.554,665 4.615,666 4.533,667 6.891,668 0.589,669 387.54,670 3.434,671 4.977,672 5.826,673 6.713,674 7.577,675 8.466,676 9.335,677 10.222,678 11.094,679 11.981,680 8.8,683 1,684 2,690 2,695 2,696 2,700 8,702 12,711 2,716 3,718 57,719 12,720 1,721 30,723 59,724 20,725 10,726 4,727 2,729 3,730 4,736 3,737 1,739 3,741 10,742 10,743 1,754 1,757 29,758 8,759 4,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,799 1,802 2,806 4,810 28,811 2,816 5,818 3,820 1,821 1,829 5.3,834 3,836 15.333,837 11.267,838 6.361,839 3.1,840 2.21,841 1.301,842 0.945,843 6.725,844 9.555,845 3.611,846 4.19,847 4.723,848 5.256,849 5.712,850 5.829,851 5.884,852 5.93,853 6.054,854 6.037,855 0.875,856 46,857 10.308,859 4.208,860 7.667,861 19.853,863 15.87,865 2.167,866 60.667,869 1,870 294.278,871 100.898,872 102.49,874 33,877 100.898,878 327.277,879 102.49,880 41.046,881 11.815,882 84.747,883 33.571,884 60.982,885 4.227,886 294.278,888 294.278,889 203.388,890 33,893 282.506,894 44.771,897 19.595,898 150.222,899 33.571,901 294.278,902 135.489,903 100.898,906 294.278,907 40.9,908 63.122,910 132.365,911 294.278,912 135.489,913 100.898,915 0.576,916 0.35,917 0.202,918 0.107,919 19,920 10,921 0.119,922 7,923 1,924 1.125,925 3.86,926 235.967,927 0.125,928 16,929 126.606,933 20.803,934 9.051,935 4.749,937 135.489,938 3.977,939 8.458,943 5.853,945 65.794,946 530.665,947 36,956 57.094,957 65.102,958 0.267,959 0.584,960 0.787,961 0.819,962 0.828,963 0.853,964 4.868,965 1.742,966 5.826,967 5.791,968 4.443,969 4.875,970 1.938,971 6.648,972 4.328,973 6.067,974 1.139,975 7.394,976 4.864,977 4.111,978 4.796,979 0.325,980 7.554,981 3.959,982 7.38,983 1.006,984 9.056,985 2.565,986 6.052,987 7.044,988 1.656,989 10.637,990 5.854,991 8.724,992 0.396,993 10.77,994 2.369,995 6.479,996 7.728,997 0.393,998 12.327,999 6.237,1000 10.098,1001 0.353,1002 12.518,1003 0.639,1004 7.921,1005 9.514,1006 1.418,1007 14.942,1008 7.648,1009 11.492,1010 0.219,1011 14.29,1012 0.603,1013 8.71,1014 10.56,1015 0.384,1016 16.986,1017 8.39,1018 12.903,1019 -0.119,1020 16.08,1021 0.404,1022 9.953,1023 12.155,1024 1.207,1025 19.426,1026 9.606,1027 3.083,1028 -0.4,1029 17.885,1030 -0.259,1031 10.919,1032 13.381,1033 0.351,1034 21.629,1035 10.525,1036 3.063,1037 10.262,1038 19.701,1039 -1.021,1040 12.082,1041 14.886,1042 1.019,1043 24.001,1044 11.659,1045 2.584,1046 10.178,1047 21.527,1048 4.105,1049 13.13,1050 16.203,1051 0.312,1052 26.272,1053 12.663,1054 2.303,1055 7.535,1056 23.362,1057 4.091,1058 14.263,1059 17.663,1060 0.852,1061 28.616,1062 13.764,1063 2.061,1064 6.807,1065 25.203,1066 2.93,1067 15.35,1068 19.025,1069 0.273,1070 30.917,1071 14.808,1072 2.059,1073 6.118,1074 27.05,1075 2.833,1076 16.472,1077 20.462,1078 0.706,1079 33.25,1080 15.896,1081 1.984,1082 5.854,1083 28.902,1084 2.604,1085 17.576,1086 21.848,1087 0.236,1088 35.564,1089 16.96,1090 9461,1091 15457,1092 19.304,1093 35.529,1094 43.946,1095 45.274,1096 46.944,1097 43.868,1098 43.985,1099 53.452,1100 7.338,1101 127.977,1102 41.218,1103 5.368,1104 5.383,1105 6.066,1106 5.123,1107 5.083,1108 7.105,1109 1.776,1110 17.183,1111 4.993,1112 17.068,1113 1.465,1114 1.509,1115 1.565,1116 1.462,1117 1.466,1118 1.782,1119 0.245,1120 4.266,1121 1.374,1122 4.016,1123 4.06,1124 3.958,1125 3.9,1126 5.282,1127 3.908,1128 3.934,1129 3.953,1130 3.893,1131 3.833,1132 4.979,1133 3.842,1134 3.641,1135 3.71,1136 3.541,1137 3.436,1138 4.972,1139 3.454,1140 3.428,1141 3.506,1142 3.296,1143 3.207,1144 4.58,1145 3.22,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.474,1151 3.026,1152 3.238,1153 3.309,1154 3.052,1155 3.001,1156 4.461,1157 2.999,1158 3.187,1159 3.272,1160 3.014,1161 2.931,1162 4.312,1163 2.932,1164 3.155,1165 3.255,1166 2.955,1167 2.891,1168 4.095,1169 2.888,1170 0.147,1171 0.113,1172 0.217,1173 0.135,1174 0.103,1175 4.422,1176 0.137,1177 3.383,1178 0.031,1179 6.524,1180 0.342,1181 4.052,1182 0.1,1183 3.083,1184 4.105,1185 0.916,1186 10.262,1187 2.993,1188 1.952,1189 1.913,1190 2.094,1191 2.095,1192 1.458,1193 2.095,1194 1.891,1195 1.874,1196 1.983,1197 2.016,1198 1.177,1199 2.003,1200 1.574,1201 1.509,1202 1.755,1203 1.816,1204 0.921,1205 1.801,1206 1.377,1207 1.304,1208 1.61,1209 1.64,1210 0.753,1211 1.643,1212 1.227,1213 1.163,1214 1.59,1215 1.558,1216 0.686,1217 1.565,1218 1.198,1219 1.123,1220 1.571,1221 1.512,1222 0.584,1223 1.531,1224 1.161,1225 1.074,1226 1.543,1227 1.45,1228 0.577,1229 1.484,1230 1.129,1231 1.038,1232 1.467,1233 1.411,1234 0.566,1235 1.42,1236 4.111,1238 5.434,1240 6.957,1242 8.58,1244 10.255,1246 6.977,1250 11.778,1252 4.534,1254 16.299,1256 0.495,1257 2.296,1262 33.573,1263 88.79,1264 194.168,1265 261.681,1266 272.436,1267 275.191,1268 283.455,1269 49.345,1270 7.345,1271 108.75,1272 108.75,1273 18,1274 12.515,1275 3.7,1276 2.807,1277 49.889,1278 118,1279 106,1280 0.208,1281 208.833,1282 361.21,1283 501.312,1284 15316,1286 20.259,1287 0.724,1288 0.607,1289 20.259,1290 16.989,1291 13.443,1292 0.448,1293 0.311,1294 9.118,1295 12.681,1296 8.753,1297 7.351,1298 13.443,1299 9.329,1300 11.98,1301 0.285,1302 0.172,1303 11.98,1304 7.231,1305 9.842,1306 0.179,1307 0.094,1308 9.842,1309 5.171,1310 8.704,1311 0.119,1312 0.054,1313 8.704,1314 3.93,1315 6.7,1316 0.076,1317 0.031,1318 6.7,1319 2.745,1320 0.331,1321 86.097,1322 0.228,1323 26.837,1324 0.558,1325 144,1326 428.766,1327 160.767,1328 404.084,1329 550.24,1330 380,1331 169,1332 399.721,1333 186.683,1334 409.966,1335 593.2,1336 377,1337 5.788}
{0 CHEMBL122998,1 1.572,2 8.696,3 3.609,4 13.022,5 96.851,6 8.459,7 0.808,8 3.768,9 3.893,10 3.497,11 3.411,12 4.946,13 3.37,14 4.221,15 4.367,16 3.927,17 3.818,18 5.381,19 3.75,20 4.41,21 4.571,22 4.022,23 3.962,24 5.476,25 3.855,26 4.457,27 4.63,28 3.943,29 3.921,30 5.578,31 3.785,32 4.471,33 4.7,34 3.705,35 3.787,36 5.485,37 3.648,38 4.342,39 4.584,40 3.491,41 3.662,42 5.231,43 3.528,44 4.216,45 4.426,46 3.4,47 3.579,48 5.24,49 3.479,50 4.232,51 4.487,52 3.253,53 3.443,54 5.233,55 3.333,56 0.047,57 0.616,58 6.922,59 3.071,60 9.906,61 3.617,62 0.157,63 0.973,64 12.643,65 5.648,66 17.382,67 7.029,68 0.092,69 1.16,70 18.382,71 7.386,72 12.466,73 8.332,74 0.204,75 1.232,76 22.258,77 8.362,78 22.801,79 9.427,80 0.28,81 1.197,82 23.112,83 7.115,84 34.039,85 8.251,86 0.112,87 0.961,88 20.46,89 7.552,90 16.048,91 9.779,92 0.098,93 0.878,94 14.631,95 5.644,96 16.671,97 7.197,98 0.098,99 0.854,100 14.812,101 5.666,102 19.963,103 7.823,104 10,105 38,106 0.276,107 0.625,108 0.729,109 0.82,110 0.864,111 0.882,112 3.19,113 0.925,114 -5.35,115 -5.23,116 -4.89,119 44.7,120 1,139 7,140 4,141 1,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 11,169 1,170 2,172 3,173 4,175 4,178 15,180 1,182 2,187 2,189 14,191 1,193 3,195 1,196 2,197 3,198 4,200 4,201 10,204 2,205 1,207 1,212 5,215 10,218 2,221 2,226 5,229 9,231 2,234 5,239 3,241 7,243 2,246 6,251 5,254 2,256 5,260 4,265 6,270 6,273 641,274 15.585,275 15.585,276 15.585,277 15.585,278 15.585,279 13.019,280 10.973,281 9.022,282 15.986,283 12.844,284 12.844,285 12.844,286 12.844,287 12.844,288 9.032,289 12.36,290 4.281,291 13.558,292 3.676,293 1.695,294 1.103,295 0.586,296 0.336,297 0.23,298 3.887,300 1,301 1,302 1,303 443,304 2.345,306 40.756,307 156.429,310 80.329,311 86.82,314 1.214,315 14.832,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48.5,327 200,328 4.703,329 4.592,330 6.877,331 4.22,332 3.266,333 4.678,334 2.95,335 11.415,336 3.12,337 4.49,338 3.422,339 6.511,340 4.002,341 3.025,342 4.428,344 10.223,345 2.958,346 3.855,347 2.997,348 5.738,349 3.394,350 2.487,351 3.338,353 7.676,354 2.247,355 3.514,356 2.586,357 5.203,358 3.052,359 2.125,360 2.909,362 6.264,363 1.959,364 3.415,365 2.291,366 5.118,367 2.921,368 1.99,369 2.798,371 5.947,372 1.845,373 3.195,374 2.003,375 4.943,376 2.715,377 1.778,378 2.467,380 5.429,381 1.655,382 3.118,383 1.725,384 4.275,385 2.618,386 1.618,387 2.427,389 3.804,390 1.618,391 2.769,392 1.618,393 4.108,394 2.273,395 1.282,396 1.902,398 3.36,399 1.27,400 2.552,401 1.33,402 3.593,403 2.15,404 1.221,405 1.568,407 2.818,408 1.118,409 2.325,410 1.194,411 3.353,412 1.837,413 0.869,414 1.248,415 2.073,416 0.834,417 1.394,418 0.535,419 2.965,420 0.967,421 0.072,422 0.091,423 0.194,424 0.063,425 1.145,426 0.318,427 2.724,428 0.749,429 -0.18,430 -0.225,431 -0.464,432 -0.167,433 1.004,434 0.014,435 2.522,436 0.549,437 -0.379,438 -0.504,439 -0.994,440 -0.347,441 0.882,442 -0.305,443 2.359,444 0.382,445 -0.59,446 -0.713,448 -1.414,449 -0.535,450 0.727,451 -0.603,452 2.229,453 0.323,454 -0.618,455 -0.927,457 -1.478,458 -0.618,459 11.333,460 0.493,461 0.627,462 0.027,463 34.5,464 1.5,465 19.5,466 0.848,467 15,468 0.652,469 16.016,470 0.696,471 22.867,472 0.602,473 22.678,474 0.986,475 6.679,476 0.29,477 4.452,478 0.194,479 0.115,481 0.397,485 1.194,486 0.955,487 0.742,488 0.694,489 1.357,490 0.7,491 0.35,492 0.807,493 0.691,494 0.836,495 0.385,496 0.79,497 1.07,498 1.102,499 1.164,500 1.077,501 0.872,502 0.954,503 0.712,504 1.175,505 1.49,506 1.479,507 0.588,508 1.256,509 1.666,510 0.909,511 1.397,512 1.073,513 1.627,514 1.059,515 0.586,516 0.992,517 0.941,518 1.067,519 0.472,520 0.968,521 1.034,522 1.082,523 1.008,524 1.062,525 0.987,526 1.109,527 0.897,528 1.088,529 0.671,530 0.877,531 0.885,532 1.019,533 4.5,534 0.049,535 2.667,536 2.479,537 1.325,538 0.702,539 0.392,540 0.339,541 0.209,542 0.125,543 5557,544 14764,545 2.141,546 39.5,547 3,548 7,551 5,555 1.659,556 2,557 3.106,558 2.675,560 1,562 1,564 59.721,565 1.572,566 3.553,567 4.145,568 4.662,569 4.912,570 5.018,571 2.459,572 4.176,573 4.501,574 3.223,575 815.362,576 7.756,577 8997.24,578 1,579 1,580 1,581 1,582 199.421,583 1.422,584 4.454,585 0.173,586 0.008,587 0.07,588 0.064,589 0.039,590 0.027,591 0.016,592 0.014,593 0.01,594 0.009,595 0.43,596 0.17,597 1,598 0.58,599 105.749,600 -0.234,601 0.133,602 0.029,603 0.173,604 -0.366,605 0.128,606 0.49,607 0.227,608 0.199,609 0.121,610 0.319,611 0.113,612 -0.147,613 -0.046,614 -0.016,615 0.029,616 -0.11,617 -0.015,618 0.254,619 -0.119,620 -0.208,621 -0.3,622 0.266,623 -0.292,624 -0.426,625 0.149,626 -0.241,627 -0.024,628 -0.458,629 -0.109,630 0.127,631 -0.118,632 0.069,633 -0.034,634 0.184,635 0.098,636 -0.155,637 -0.136,638 -0.194,639 -0.176,640 -0.114,641 -0.157,642 0.013,643 -0.21,644 0.059,645 -0.06,646 0.083,647 -0.025,648 1.488,649 1.995,650 0.826,651 15.006,652 1,653 1.118,654 4.12,655 16.975,656 0.723,657 3.296,658 3.664,659 3.989,660 4.317,661 4.522,662 4.605,663 4.71,664 4.852,665 4.934,666 4.905,667 5.235,668 0.682,669 321.44,670 3.296,671 4.86,672 5.74,673 6.648,674 7.542,675 8.454,676 9.353,677 10.267,678 11.169,679 12.084,680 13.2,684 2,688 1,690 2,694 4,695 7,696 2,697 1,700 5,702 21,711 2,718 38,719 21,720 2,721 26,723 41,724 17,725 16,726 3,727 7,729 4,730 6,734 1,741 16,742 1,753 1,754 1,757 15,758 4,759 5,760 6,761 1,764 5,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,803 1,804 1,806 1,810 23,811 2,819 1,836 11.5,837 7.067,838 4.917,839 2.089,840 4.341,841 1.582,842 1.08,843 3.399,844 11.805,845 3.624,846 4.353,847 5.049,848 5.734,849 6.292,850 6.64,851 7.057,852 7.516,853 7.859,854 8.074,855 0.833,856 39,857 8.427,859 3.63,860 7.645,861 16.154,863 13.526,865 2.145,866 49.333,870 117.711,871 126.898,872 116.151,876 32.22,877 94.678,878 117.711,879 116.151,880 8.825,882 132.128,883 35.286,884 30.363,885 4.227,886 149.931,888 117.711,889 210.829,891 32.22,893 117.711,897 30.347,898 146.911,899 33.571,900 32.22,901 117.711,902 116.151,903 126.898,906 117.711,907 51.739,908 75.159,909 16.786,910 99.365,911 117.711,912 116.151,913 126.898,915 0.592,916 0.358,917 0.208,918 0.109,919 21,920 9,921 0.049,922 2,923 2,924 1.211,925 3.486,926 196.255,927 0.211,928 19,929 102.042,930 1,933 14.364,934 5.442,935 2.421,936 3.948,937 99.365,938 14.625,939 8.288,940 3.311,943 3.805,945 82.58,946 360.76,947 36.5,956 38.003,957 42.488,958 0.299,959 0.677,960 0.79,961 0.888,962 0.936,963 0.956,964 4.862,965 1.282,966 5.746,967 3.804,968 4.344,969 5.04,970 2.913,971 6.611,972 4.24,973 6.12,974 1.221,975 7.336,976 3.36,977 4.007,978 5.007,980 7.591,981 3.852,982 7.464,983 0.869,984 9.027,985 2.818,986 5.984,987 7.416,988 5.027,989 10.742,990 5.791,991 8.847,992 0.072,993 10.777,994 2.073,995 6.463,996 8.22,998 12.567,999 6.231,1000 10.263,1001 -0.18,1002 12.565,1003 0.194,1004 7.933,1005 10.105,1006 7.185,1007 15.236,1008 7.669,1009 11.703,1010 -0.379,1011 14.38,1012 -0.464,1013 8.794,1014 11.307,1016 17.409,1017 8.495,1018 13.164,1019 -0.59,1020 16.215,1021 -0.994,1022 10.068,1023 12.978,1024 9.348,1025 19.912,1026 9.736,1027 3.266,1028 -0.618,1029 18.066,1030 -1.414,1031 11.1,1032 14.363,1034 22.227,1035 10.733,1036 3.025,1037 11.415,1038 19.929,1039 -1.478,1040 12.299,1041 15.946,1042 11.511,1043 24.671,1044 11.899,1045 2.487,1046 10.223,1047 21.801,1048 4.678,1049 13.406,1050 17.411,1052 27.045,1053 12.967,1054 2.125,1055 7.676,1056 23.682,1057 4.428,1058 14.58,1059 18.959,1060 13.675,1061 29.47,1062 14.104,1063 1.99,1064 6.264,1065 25.568,1066 3.338,1067 15.719,1068 20.459,1070 31.869,1071 15.203,1072 1.778,1073 5.947,1074 27.46,1075 2.909,1076 16.886,1077 21.993,1078 15.838,1079 34.289,1080 16.33,1081 1.618,1082 5.429,1083 29.356,1084 2.798,1085 18.04,1086 23.509,1088 36.7,1089 17.443,1090 5240,1091 8673,1092 17.512,1093 27.483,1094 39.796,1095 42.411,1096 41.06,1097 39.48,1098 39.467,1099 55.709,1100 5.9,1101 118.406,1102 37.371,1103 5.481,1104 6.592,1105 6.566,1106 5.377,1107 5.266,1108 7.678,1109 5.9,1110 18.607,1111 5.12,1112 10.091,1113 1.531,1114 1.631,1115 1.579,1116 1.518,1117 1.518,1118 2.143,1119 0.227,1120 4.554,1121 1.437,1122 4.131,1123 4.164,1124 4.212,1125 4.08,1126 5.319,1127 4.065,1128 4.038,1129 4.065,1130 4.005,1131 3.947,1132 4.981,1133 3.961,1134 3.482,1135 3.538,1136 3.61,1137 3.413,1138 4.895,1139 3.387,1140 3.42,1141 3.483,1142 3.328,1143 3.238,1144 4.737,1145 3.245,1146 3.135,1147 3.243,1148 3.133,1149 3.013,1150 4.327,1151 2.976,1152 3.038,1153 3.144,1154 2.985,1155 2.825,1156 4.108,1157 2.845,1158 3.011,1159 3.078,1160 2.776,1161 2.703,1162 3.861,1163 2.715,1164 2.668,1165 2.725,1166 2.712,1167 2.58,1168 3.826,1169 2.562,1170 0.181,1171 0.177,1172 0.265,1173 0.162,1174 0.126,1175 4.703,1176 0.18,1177 4.592,1178 0.113,1179 6.877,1180 0.439,1181 4.22,1182 0.12,1183 3.266,1184 4.678,1185 2.95,1186 11.415,1187 3.12,1188 2.066,1189 2.051,1190 2.137,1191 2.109,1192 1.289,1193 2.125,1194 1.828,1195 1.791,1196 1.887,1197 2.01,1198 1.027,1199 1.972,1200 1.56,1201 1.52,1202 1.685,1203 1.724,1204 0.742,1205 1.735,1206 1.457,1207 1.411,1208 1.647,1209 1.577,1210 0.677,1211 1.605,1212 1.103,1213 1.043,1214 1.313,1215 1.416,1216 0.396,1217 1.406,1218 1.023,1219 0.947,1220 1.263,1221 1.35,1222 0.274,1223 1.342,1224 0.945,1225 0.825,1226 1.231,1227 1.16,1228 0.061,1229 1.197,1230 0.696,1231 0.641,1232 0.983,1233 0.972,1235 1,1236 3.97,1238 5.323,1239 2.398,1240 6.878,1241 4.844,1242 8.529,1243 7.034,1244 10.229,1246 2.016,1250 11.677,1255 1.664,1262 25.928,1263 59.721,1264 134.999,1265 157.505,1266 177.157,1267 186.666,1268 190.666,1269 26.047,1270 7.463,1271 93.61,1272 118.91,1273 23,1274 12.598,1275 4.459,1276 3.524,1277 31.793,1278 73,1279 63,1280 0.219,1281 163.022,1282 259.37,1283 389.535,1284 17301,1286 15.974,1287 0.695,1288 0.579,1289 16.328,1290 13.315,1291 11.131,1292 0.428,1293 0.308,1294 7.207,1295 10.429,1296 6.933,1297 5.765,1298 11.539,1299 8.018,1300 10.381,1301 0.273,1302 0.168,1303 11.023,1304 6.401,1305 8.966,1306 0.169,1307 0.095,1308 9.791,1309 5.052,1310 8.209,1311 0.111,1312 0.052,1313 9.118,1314 3.833,1315 6.313,1316 0.069,1317 0.03,1318 7.302,1319 2.689,1320 0.334,1321 72.671,1322 0.239,1323 22.124,1324 0.628,1325 128,1326 323.108,1327 162.672,1328 349.578,1329 497.81,1330 328,1331 155,1332 373.32,1333 186.377,1334 398.968,1335 589.85,1336 377,1337 5.34}
{0 CHEMBL123043,1 1.534,2 9.955,3 3.247,4 10.541,5 92.871,6 7.568,7 0.5,8 3.832,9 3.976,10 3.407,11 3.364,12 4.905,13 3.33,14 4.367,15 4.564,16 3.796,17 3.783,18 5.39,19 3.715,20 4.647,21 4.867,22 3.841,23 3.957,24 5.565,25 3.85,26 4.76,27 5.022,28 3.68,29 3.935,30 5.637,31 3.788,32 4.749,33 5.033,34 3.527,35 3.858,36 5.566,37 3.691,38 4.695,39 5.005,40 3.439,41 3.769,42 5.472,43 3.573,44 4.481,45 4.772,46 3.32,47 3.604,48 5.288,49 3.42,50 4.192,51 4.457,52 3.279,53 3.371,54 5.194,55 3.241,56 0.042,57 0.653,58 8.962,59 3.447,60 9.681,61 4.994,62 0.187,63 1.02,64 17.134,65 6.382,66 22.743,67 9.111,68 0.18,69 1.243,70 25.178,71 8.208,72 23.175,73 12.017,74 0.289,75 1.298,76 28.965,77 9.148,78 38.799,79 13.63,80 0.292,81 1.238,82 27.936,83 8.76,84 37.823,85 13.463,86 0.332,87 1.086,88 28.203,89 9.034,90 39.506,91 13.46,92 0.21,93 0.855,94 26.833,95 7.829,96 28.806,97 11.328,98 0.191,99 0.707,100 17.396,101 4.888,102 26.801,103 7.31,104 17,105 34,106 0.272,107 0.647,108 0.8,109 0.851,110 0.851,111 0.851,112 3.146,113 0.972,114 -4.77,115 -4.68,116 -4.4,119 38.1,121 3,122 1,124 1,125 1,139 4,140 1,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 6,172 3,173 3,175 1,178 8,180 1,182 7,187 1,189 6,191 1,193 5,195 1,196 1,197 1,198 4,200 2,201 2,204 4,205 1,207 2,212 3,215 6,218 3,220 2,223 1,224 1,226 1,229 8,231 1,241 5,246 4,248 1,249 1,251 2,254 2,256 2,260 4,265 2,268 2,270 2,273 608,274 14.533,275 14.533,276 14.533,277 14.533,278 14.533,279 12.952,280 19.9,281 8.432,282 14.948,283 11.832,284 11.832,285 11.832,286 11.832,287 11.832,288 9.488,289 24.416,290 4.035,291 12.572,292 3.858,293 1.739,294 0.875,295 0.589,296 0.589,297 0.589,298 3.824,299 1,300 1,301 1,302 1,303 469,304 2.739,307 183.676,311 95.805,314 1.417,315 16.643,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 46.833,327 219,328 4.417,329 3.276,330 6.503,331 4.053,332 3.083,333 4.091,334 0.8,335 10.18,336 2.994,337 4.113,338 3.083,339 6.054,340 3.775,341 2.83,342 3.669,344 8.698,345 2.672,346 3.638,347 2.839,348 5.31,349 3.365,350 2.414,351 2.886,353 6.86,354 2.303,355 3.511,356 2.423,357 5.063,358 3.113,359 2.219,360 2.811,362 5.996,363 1.936,364 3.323,365 2.221,366 5.018,367 2.963,368 2.027,369 2.562,371 5.798,372 1.888,373 3.188,374 2.109,375 4.955,376 2.888,377 1.94,378 2.281,380 5.715,381 1.807,382 2.5,383 1.52,384 4.029,385 2.188,386 1.258,387 1.5,389 3.317,390 1.139,391 2.452,392 1.297,393 3.708,394 2,395 1.005,396 1.446,398 2.565,399 1,400 2.09,401 1,402 3.414,403 1.979,404 1,405 1.064,407 2.275,408 0.976,409 1.352,410 0.443,411 2.896,412 1.132,413 0.184,414 0.204,415 0.462,416 0.172,417 1.066,418 0.271,419 2.659,420 0.637,421 -0.217,422 -0.261,423 -0.485,424 -0.15,425 0.883,426 -0.215,427 2.504,428 0.498,429 -0.414,430 -0.495,431 -1.079,432 -0.374,433 0.626,434 -0.312,435 2.247,436 0.411,437 -0.515,438 -0.586,439 -1.297,440 -0.472,441 0.5,442 -0.564,443 2,444 0.147,445 -0.815,446 -0.864,448 -2.212,449 -0.784,450 0.265,451 -0.746,452 1.885,454 -1,455 -1.095,457 -2.672,458 -0.922,459 10.714,460 0.487,461 0.647,462 0.029,463 28,464 1.273,465 13.5,466 0.614,467 14.5,468 0.659,469 18.419,470 0.837,471 24.086,472 0.573,473 17.875,474 0.813,475 5.199,476 0.236,477 5.325,478 0.242,479 0.188,481 0.364,485 0.956,486 1.349,487 0.689,488 0.957,489 1.086,490 0.919,491 0.657,492 0.987,493 0.675,494 0.889,495 0.367,496 0.895,497 1.034,498 1.232,499 0.987,500 1.119,501 0.812,502 1.107,503 0.906,504 1.071,505 0.932,506 1.09,507 0.808,508 1.12,509 0.804,510 1.032,511 0.764,512 1.02,513 1.018,514 1.082,515 0.667,516 0.689,517 0.704,518 0.802,519 0.873,520 0.892,521 0.897,522 0.91,523 1.135,524 1.029,525 0.821,526 0.945,527 1.183,528 0.962,529 0.997,530 0.908,531 1.273,532 0.956,533 5.5,534 0.124,535 2.667,536 1.563,537 1.56,538 0.556,539 0.384,540 0.326,541 0.209,542 0.107,543 5036,544 14244,545 2.043,546 47.6,547 4,548 9,551 4,552 2,553 1,555 1.642,556 1.886,557 3.279,558 1.87,559 1,560 1,562 1,564 64.429,565 1.534,566 3.654,567 4.517,568 4.803,569 4.803,570 4.803,571 2.716,572 4.187,573 4.432,574 3.39,575 783.141,576 7.596,577 8575.88,578 1,579 1,581 1,582 226.477,583 1.495,584 4.376,585 0.229,586 0.014,587 0.078,588 0.046,589 0.056,590 0.024,591 0.019,592 0.017,593 0.012,594 0.008,595 0.503,596 0.17,597 1,598 0.65,599 101.475,600 -0.123,601 -0.073,602 0.01,603 0.038,604 -0.171,605 0.049,606 0.181,607 0.164,608 0.091,609 0.096,610 0.306,611 0.08,612 -0.14,613 -0.161,614 -0.112,615 -0.132,616 -0.058,617 -0.131,618 -0.051,619 -0.079,620 -0.118,621 -0.144,622 -0.008,623 -0.155,624 -0.04,625 -0.075,626 -0.053,627 -0.102,628 -0.155,629 -0.121,630 0.095,631 0.19,632 0.096,633 0.138,634 -0.034,635 0.091,636 -0.004,637 -0.077,638 -0.004,639 0.008,640 0.018,641 0.086,642 -0.107,643 0.026,644 -0.02,645 0.035,646 -0.123,647 -0.008,648 1.395,649 2.004,650 0.727,651 16.545,652 0.998,653 1.137,654 3.541,655 12.539,656 0.666,657 3.219,658 3.555,659 3.784,660 4.025,661 4.263,662 4.263,663 4.29,664 4.357,665 4.466,666 4.369,667 5.677,668 0.623,669 317.86,670 3.219,671 4.762,672 5.602,673 6.479,674 7.335,675 8.213,676 9.076,677 9.954,678 10.82,679 11.699,680 11.9,684 2,686 1,690 2,695 4,696 2,700 6,702 12,711 2,714 1,717 1,718 42,719 12,720 1,721 24,723 44,724 16,725 10,726 2,727 4,729 3,730 4,731 1,736 3,737 1,739 3,741 10,742 6,743 1,753 1,754 1,757 20,758 5,759 4,760 6,761 1,764 5,769 0.667,776 1,781 3,785 1,802 2,806 1,807 1,810 22,811 2,816 4,820 1,821 1,828 1,836 11.667,837 7.576,838 4.75,839 2.433,840 2.155,841 1.314,842 0.991,843 4.408,844 9.026,845 3.434,846 4.025,847 4.527,848 5.027,849 5.517,850 5.538,851 5.542,852 5.714,853 6.017,854 6.122,855 0.857,856 34,857 8.09,859 3.396,860 7.657,861 15.67,863 13.014,865 2.157,866 47.444,869 1,870 188.338,871 72.437,872 102.49,873 39.149,877 72.437,878 227.486,879 102.49,880 8.396,881 9.709,882 103.699,883 33.571,884 15.324,885 4.227,886 188.338,887 39.149,888 188.338,889 174.927,891 39.149,893 176.567,894 11.771,897 14.365,898 126.991,899 72.72,901 188.338,902 102.49,903 111.586,906 188.338,907 26.136,908 49.426,910 138.514,911 188.338,912 102.49,913 111.586,915 0.591,916 0.337,917 0.176,918 0.1,919 17,920 8,921 0.068,922 3,923 1,924 1.125,925 3.42,926 170.203,927 0.125,928 16,929 94.107,933 15.379,934 6.306,935 3.47,937 102.49,938 7.908,939 8.399,943 4.794,945 65.794,946 402.413,947 30,956 41.902,957 47.757,958 0.284,959 0.678,960 0.838,961 0.891,962 0.891,963 0.891,964 4.682,965 1.005,966 5.602,967 3.317,968 4.234,969 4.71,970 0.673,971 6.395,972 4.124,973 5.885,974 1,975 7.155,976 2.565,977 3.892,978 4.543,979 0.325,980 7.235,981 3.684,982 7.187,983 0.184,984 8.801,985 2.275,986 5.82,987 6.85,988 0.379,989 10.302,990 5.622,991 8.517,992 -0.217,993 10.499,994 0.462,995 6.217,996 7.422,997 0.268,998 11.928,999 5.941,1000 9.874,1001 -0.414,1002 12.23,1003 -0.485,1004 7.662,1005 9.265,1006 0.239,1007 14.527,1008 7.393,1009 11.25,1010 -0.515,1011 13.984,1012 -1.079,1013 8.414,1014 10.202,1015 0.188,1016 16.515,1017 8.087,1018 12.642,1019 -0.815,1020 15.756,1021 -1.297,1022 9.658,1023 11.834,1024 0.156,1025 18.936,1026 9.326,1027 3.083,1028 -1,1029 17.543,1030 -2.212,1031 10.589,1032 12.97,1033 0.125,1034 21.096,1035 10.213,1036 2.83,1037 10.18,1038 19.342,1039 -2.672,1040 11.747,1041 14.494,1042 0.102,1043 23.446,1044 11.358,1045 2.414,1046 8.698,1047 21.15,1048 4.091,1049 12.768,1050 15.742,1051 0.082,1052 25.685,1053 12.342,1054 2.219,1055 6.86,1056 22.967,1057 3.669,1058 13.892,1059 17.208,1060 0.066,1061 28.009,1062 13.447,1063 2.027,1064 5.996,1065 24.791,1066 2.886,1067 14.957,1068 18.52,1069 0.054,1070 30.286,1071 14.481,1072 1.94,1073 5.798,1074 26.621,1075 2.811,1076 16.069,1077 19.955,1078 0.043,1079 32.601,1080 15.57,1081 1.258,1082 5.715,1083 28.456,1084 2.562,1085 17.157,1086 21.304,1087 0.035,1088 34.896,1089 16.629,1090 4911,1091 8353,1092 15.72,1093 27.978,1094 36.168,1095 36.451,1096 37.234,1097 36.163,1098 35.922,1099 45.033,1100 1.6,1101 103.732,1102 33.775,1103 5.363,1104 5.276,1105 5.917,1106 5.125,1107 5.083,1108 7.091,1109 1.2,1110 17.074,1111 4.994,1112 11.665,1113 1.507,1114 1.519,1115 1.551,1116 1.507,1117 1.497,1118 1.876,1119 0.067,1120 4.322,1121 1.407,1122 4.011,1123 4.059,1124 4.009,1125 3.902,1126 5.282,1127 3.905,1128 3.897,1129 3.93,1130 3.924,1131 3.819,1132 4.978,1133 3.818,1134 3.589,1135 3.658,1136 3.552,1137 3.405,1138 4.944,1139 3.419,1140 3.336,1141 3.424,1142 3.345,1143 3.125,1144 4.474,1145 3.127,1146 3.159,1147 3.261,1148 3.04,1149 2.95,1150 4.39,1151 2.946,1152 2.996,1153 3.109,1154 2.997,1155 2.747,1156 4.063,1157 2.754,1158 2.854,1159 2.935,1160 2.763,1161 2.735,1162 3.881,1163 2.715,1164 2.812,1165 2.925,1166 2.687,1167 2.66,1168 3.699,1169 2.626,1170 0.184,1171 0.136,1172 0.271,1173 0.169,1174 0.128,1175 4.417,1176 0.17,1177 3.276,1178 0.033,1179 6.503,1180 0.424,1181 4.053,1182 0.125,1183 3.083,1184 4.091,1185 0.8,1186 10.18,1187 2.994,1188 1.956,1189 1.916,1190 2.095,1191 2.095,1192 1.456,1193 2.096,1194 1.876,1195 1.848,1196 1.972,1197 1.979,1198 1.095,1199 1.983,1200 1.535,1201 1.471,1202 1.701,1203 1.753,1204 0.867,1205 1.748,1206 1.305,1207 1.218,1208 1.584,1209 1.56,1210 0.749,1211 1.582,1212 1.136,1213 1.05,1214 1.467,1215 1.411,1216 0.619,1217 1.42,1218 0.96,1219 0.854,1220 1.288,1221 1.289,1222 0.332,1223 1.317,1224 0.886,1225 0.821,1226 1.183,1227 1.123,1228 0.218,1229 1.158,1230 0.782,1231 0.706,1232 1.181,1233 1.062,1234 0.082,1235 1.107,1236 3.892,1238 5.22,1240 6.742,1242 8.353,1244 10.01,1246 2.099,1247 5.938,1250 11.669,1252 3.858,1256 0.53,1257 2.25,1262 26.149,1263 64.429,1264 153.458,1265 189.722,1266 201.722,1267 201.722,1268 201.722,1269 31.483,1270 6.871,1271 81.06,1272 81.06,1273 18,1274 12.238,1275 3.7,1276 2.807,1277 34.62,1278 75,1279 76,1280 0.229,1281 166.808,1282 280.85,1283 398.771,1284 8161,1285 2.4,1286 15.69,1287 0.713,1288 0.607,1289 16.19,1290 13.345,1291 10.525,1292 0.439,1293 0.324,1294 7.349,1295 9.909,1296 7.107,1297 5.892,1298 10.814,1299 7.779,1300 9.89,1301 0.291,1302 0.185,1303 10.298,1304 6.294,1305 7.937,1306 0.185,1307 0.104,1308 8.226,1309 4.476,1310 6.558,1311 0.119,1312 0.058,1313 6.725,1314 3.2,1315 5.279,1316 0.075,1317 0.033,1318 5.493,1319 2.339,1320 0.359,1321 68.378,1322 0.252,1323 21.74,1324 0.628,1325 116,1326 291.763,1327 139.984,1328 322.672,1329 436,1330 300,1331 135,1332 305.651,1333 153.085,1334 323.11,1335 467.62,1336 303,1337 7.174}
{0 CHEMBL123122,1 1.58,2 10.926,3 2.533,4 6.417,5 107.456,6 6.917,7 0.414,8 4.085,9 4.218,10 3.578,11 3.498,12 5.183,13 3.496,14 4.632,15 4.831,16 3.919,17 3.882,18 5.636,19 3.859,20 4.806,21 4.991,22 4.067,23 4.094,24 5.798,25 4.045,26 5.008,27 5.23,28 4.06,29 4.182,30 5.971,31 4.09,32 5.118,33 5.365,34 3.92,35 4.174,36 6.001,37 4.056,38 5.082,39 5.348,40 3.71,41 4.093,42 5.915,43 3.942,44 4.983,45 5.279,46 3.621,47 3.983,48 5.719,49 3.815,50 4.854,51 5.143,52 3.58,53 3.821,54 5.691,55 3.693,56 0.058,57 0.783,58 12.655,59 4.459,60 13.633,61 6.516,62 0.414,63 1.176,64 23.757,65 7.499,66 35.275,67 10.787,68 0.423,69 1.461,70 27.469,71 8.987,72 28.667,73 13.571,74 0.524,75 1.627,76 34.39,77 11.092,78 48.331,79 16.872,80 0.646,81 1.635,82 39.772,83 11.403,84 58.376,85 17.744,86 0.741,87 1.506,88 38.955,89 11.219,90 62.57,91 17.169,92 0.432,93 1.33,94 35.005,95 10.852,96 42.104,97 16.964,98 0.506,99 1.151,100 31.259,101 8.671,102 49.576,103 13.698,104 46,105 41,106 0.265,107 0.579,108 0.753,109 0.786,110 0.795,111 0.82,112 3.34,113 0.919,114 -2.96,115 -2.96,116 -2.86,119 35.2,121 3,122 1,124 4,125 1,139 2,140 1,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 8,172 3,173 3,175 1,178 5,180 1,181 2,182 7,187 1,189 2,191 1,192 3,193 7,195 1,196 1,197 1,198 4,200 2,201 2,204 4,205 1,206 1,207 1,212 3,215 4,218 3,220 2,221 2,223 1,224 1,226 1,229 4,231 1,234 5,246 10,248 1,249 1,251 2,256 2,260 2,273 1049,274 18.143,275 18.143,276 18.143,277 18.143,278 18.143,279 16.614,280 28.45,281 10.377,282 18.932,283 14.097,284 14.097,285 14.097,286 14.097,287 14.097,288 11.548,289 38.513,290 4.639,291 15.088,292 4.175,293 2.306,294 1.274,295 1.075,296 1.024,297 0.871,298 4.018,300 1,301 1,302 1,303 619,304 3.391,307 241.002,311 126.959,314 1.569,315 24.538,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 59.5,327 295,328 4.442,329 3.395,330 6.548,331 4.064,332 3.107,333 4.119,334 0.86,335 10.351,336 2.997,337 4.415,338 3.271,339 6.502,340 4.026,341 3.069,342 4.091,343 0.86,344 10.177,345 2.912,346 3.822,347 2.956,348 5.986,349 3.593,350 2.659,351 3.071,352 0.86,353 8.449,354 2.486,355 3.541,356 2.555,357 5.295,358 3.264,359 2.309,360 2.828,361 0.8,362 6.788,363 2.202,364 3.355,365 2.422,366 5.19,367 2.972,368 2.061,369 2.604,371 6.118,372 1.896,373 3.325,374 2.221,375 5.062,376 2.968,377 2.031,378 2.563,380 5.803,381 1.867,382 3.197,383 2.12,384 4.973,385 2.899,386 1.947,387 2.289,389 5.758,390 1.847,391 2.507,392 1.978,393 4.222,394 2.269,395 1.355,396 1.508,398 3.611,399 1.235,400 2.105,401 1.433,402 3.711,403 1.981,404 1.028,405 1.084,407 2.565,408 0.978,409 2.082,410 1.295,411 3.632,412 1.871,413 1,414 1.058,415 2.111,416 0.86,417 1.576,418 0.964,419 2.891,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.404,426 0.916,427 2.859,428 1.168,429 0.315,430 0.336,431 0.468,432 0.265,433 1.327,434 0.34,435 2.662,436 1.099,437 0.162,438 0.179,439 0.343,440 0.152,441 0.902,442 0.103,443 2.513,444 0.557,445 -0.37,446 -0.43,448 -0.783,449 -0.34,450 0.798,451 -0.215,452 2.483,453 0.462,454 -0.458,455 -0.55,457 -1.079,458 -0.415,459 12.5,460 0.463,461 0.712,462 0.026,463 33.25,464 1.231,465 15,466 0.556,467 18.25,468 0.676,469 24.755,470 0.917,471 31.3,472 0.58,473 25.309,474 0.937,475 6.611,476 0.245,477 6.35,478 0.235,479 0.224,481 0.392,485 1,486 1.55,487 0.879,488 1.311,489 1.116,490 1.094,491 1.243,492 0.853,493 0.841,494 0.786,495 0.746,496 0.757,497 0.827,498 1.309,499 0.974,500 1.193,501 0.764,502 1.112,503 0.722,504 1.221,505 1.024,506 1.268,507 0.752,508 1.208,509 1.217,510 1.078,511 1.182,512 1.1,513 1.221,514 1.134,515 1.24,516 0.832,517 1.243,518 0.997,519 1.223,520 1.11,521 0.742,522 0.943,523 0.86,524 0.981,525 0.66,526 0.955,527 1.067,528 0.81,529 0.908,530 0.83,531 1.032,532 0.841,533 6.5,534 0.206,535 3.333,536 2.313,537 2.462,538 0.91,539 0.588,540 0.389,541 0.234,542 0.278,543 8277,544 22331,545 1.992,546 50,547 4,548 16,551 4,552 2,553 1,555 1.701,556 1.82,557 3.397,558 1.734,559 1,560 1,564 85.307,565 1.58,566 3.449,567 4.481,568 4.68,569 4.731,570 4.884,571 2.847,572 4.255,573 4.73,574 3.549,575 1245.74,576 8.207,577 15937.5,579 1,581 1,582 310.764,583 1.541,584 4.659,585 0.224,586 0.01,587 0.081,588 0.05,589 0.057,590 0.025,591 0.021,592 0.014,593 0.009,594 0.012,595 0.504,596 0.17,597 1,598 1.011,599 133.688,600 -0.082,601 -0.214,602 0.053,603 -0.116,604 -0.121,605 -0.014,606 -0.069,607 0.266,608 0.153,609 0.271,610 0.159,611 0.248,612 0.082,613 -0.114,614 -0.029,615 -0.08,616 0.039,617 -0.068,618 0.123,619 -0.124,620 -0.078,621 -0.206,622 0.084,623 -0.182,624 -0.167,625 -0.09,626 -0.198,627 -0.11,628 -0.212,629 -0.154,630 -0.19,631 0.116,632 -0.254,633 -0.037,634 -0.268,635 -0.144,636 0.008,637 -0.073,638 0.091,639 0.011,640 0.033,641 0.057,642 -0.072,643 0.064,644 0.086,645 0.108,646 -0.047,647 0.125,648 1.417,649 2.062,650 0.593,651 23.021,652 1.004,653 1.142,654 1.732,655 2.998,656 0.625,657 3.401,658 3.738,659 4.025,660 4.29,661 4.511,662 4.533,663 4.595,664 4.595,665 4.691,666 4.691,667 6.391,668 0.593,669 373.51,670 3.401,671 4.949,672 5.808,673 6.698,674 7.574,675 8.465,676 9.346,677 10.236,678 11.118,679 12.008,680 9.3,684 2,686 1,690 2,695 2,696 2,700 8,702 12,711 2,714 1,716 3,718 54,719 12,720 1,721 29,723 56,724 19,725 10,726 4,727 2,729 3,730 4,736 3,737 1,739 3,741 10,742 9,743 1,754 1,757 27,758 8,759 4,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,802 2,806 4,810 27,811 2,816 4,818 3,820 1,821 1,829 5.6,834 3,836 14.833,837 10.767,838 6.139,839 2.925,840 2.238,841 1.307,842 0.947,843 6.167,844 9.538,845 3.584,846 4.174,847 4.732,848 5.259,849 5.738,850 5.865,851 5.949,852 5.976,853 6.208,854 6.354,855 1,856 46,857 9.929,859 4.068,860 7.691,861 19.037,863 15.208,865 2.191,866 59.167,869 1,870 270.735,871 98.364,872 102.49,874 33,877 98.364,878 303.735,879 102.49,880 41.046,881 9.709,882 84.747,883 33.571,884 60.553,885 4.227,886 270.735,888 270.735,889 200.853,890 33,893 258.964,894 44.771,897 14.365,898 152.917,899 33.571,901 270.735,902 135.489,903 98.364,906 270.735,907 38.366,908 63.122,910 132.365,911 270.735,912 135.489,913 98.364,915 0.579,916 0.36,917 0.202,918 0.11,919 19,920 10,921 0.107,922 6,923 1,924 1.125,925 3.724,926 228.826,927 0.125,928 16,929 120.382,933 19.829,934 8.397,935 4.166,937 135.489,938 3.909,939 8.444,943 5.618,945 65.794,946 504.588,947 35,956 54.211,957 61.687,958 0.275,959 0.599,960 0.779,961 0.813,962 0.822,963 0.849,964 4.844,965 1.355,966 5.814,967 5.758,968 4.419,969 4.86,970 1.856,971 6.653,972 4.299,973 6.051,974 1.028,975 7.397,976 3.611,977 4.111,978 4.796,979 0.325,980 7.6,981 3.948,982 7.371,983 1,984 9.074,985 2.565,986 6.047,987 7.045,988 1.557,989 10.686,990 5.836,991 8.723,992 0.396,993 10.804,994 2.111,995 6.509,996 7.747,997 0.268,998 12.404,999 6.247,1000 10.105,1001 0.315,1002 12.567,1003 0.603,1004 7.944,1005 9.529,1006 1.308,1007 15.019,1008 7.65,1009 11.507,1010 0.162,1011 14.352,1012 0.468,1013 8.76,1014 10.584,1015 0.188,1016 17.073,1017 8.413,1018 12.925,1019 -0.37,1020 16.153,1021 0.343,1022 10,1023 12.176,1024 1.087,1025 19.513,1026 9.624,1027 3.107,1028 -0.458,1029 17.967,1030 -0.783,1031 10.982,1032 13.407,1033 0.125,1034 21.718,1035 10.555,1036 3.069,1037 10.351,1038 19.791,1039 -1.079,1040 12.145,1041 14.91,1042 0.89,1043 24.089,1044 11.687,1045 2.659,1046 10.177,1047 21.623,1048 4.119,1049 13.203,1050 16.229,1051 0.082,1052 26.36,1053 12.698,1054 2.309,1055 8.449,1056 23.462,1057 4.091,1058 14.339,1059 17.689,1060 0.718,1061 28.704,1062 13.798,1063 2.061,1064 6.788,1065 25.306,1066 3.071,1067 15.432,1068 19.053,1069 0.054,1070 31.006,1071 14.847,1072 2.031,1073 6.118,1074 27.155,1075 2.828,1076 16.558,1077 20.49,1078 0.571,1079 33.339,1080 15.936,1081 1.947,1082 5.803,1083 29.008,1084 2.604,1085 17.667,1086 21.877,1087 0.035,1088 35.655,1089 17.002,1090 8201,1091 13572,1092 18.611,1093 33.767,1094 42.817,1095 44.096,1096 45.881,1097 42.768,1098 42.88,1099 52.364,1100 6.76,1101 126.289,1102 40.075,1103 5.388,1104 5.395,1105 6.09,1106 5.136,1107 5.107,1108 7.119,1109 1.72,1110 17.271,1111 4.997,1112 16.487,1113 1.476,1114 1.521,1115 1.582,1116 1.475,1117 1.479,1118 1.806,1119 0.233,1120 4.355,1121 1.382,1122 4.019,1123 4.062,1124 3.963,1125 3.901,1126 5.282,1127 3.909,1128 3.921,1129 3.942,1130 3.885,1131 3.809,1132 4.979,1133 3.823,1134 3.603,1135 3.669,1136 3.504,1137 3.405,1138 4.974,1139 3.423,1140 3.376,1141 3.455,1142 3.242,1143 3.137,1144 4.58,1145 3.151,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.479,1151 3.026,1152 3.219,1153 3.294,1154 3.022,1155 2.965,1156 4.458,1157 2.961,1158 3.166,1159 3.263,1160 2.993,1161 2.907,1162 4.32,1163 2.908,1164 3.115,1165 3.211,1166 2.897,1167 2.864,1168 4.019,1169 2.855,1170 0.153,1171 0.117,1172 0.226,1173 0.14,1174 0.107,1175 4.442,1176 0.142,1177 3.395,1178 0.03,1179 6.548,1180 0.357,1181 4.064,1182 0.103,1183 3.107,1184 4.119,1185 0.86,1186 10.351,1187 2.997,1188 1.955,1189 1.916,1190 2.094,1191 2.097,1192 1.456,1193 2.096,1194 1.867,1195 1.851,1196 1.949,1197 2.006,1198 1.101,1199 1.987,1200 1.538,1201 1.476,1202 1.709,1203 1.775,1204 0.868,1205 1.76,1206 1.323,1207 1.245,1208 1.596,1209 1.602,1210 0.749,1211 1.61,1212 1.227,1213 1.163,1214 1.59,1215 1.558,1216 0.628,1217 1.565,1218 1.176,1219 1.093,1220 1.569,1221 1.507,1222 0.584,1223 1.528,1224 1.148,1225 1.063,1226 1.507,1227 1.415,1228 0.571,1229 1.438,1230 1.102,1231 1.004,1232 1.465,1233 1.385,1234 0.546,1235 1.414,1236 4.078,1238 5.407,1240 6.944,1242 8.579,1244 10.265,1246 6.892,1250 11.77,1252 3.593,1254 16.311,1256 0.441,1257 2.189,1262 32.046,1263 85.307,1264 186.261,1265 241.97,1266 252.725,1267 255.48,1268 263.744,1269 46.297,1270 7.3,1271 108.75,1272 108.75,1273 18,1274 12.538,1275 3.7,1276 2.807,1277 47.048,1278 105,1279 98,1280 0.223,1281 199.241,1282 343.91,1283 477.907,1284 13884,1286 19.552,1287 0.724,1288 0.603,1289 19.552,1290 16.282,1291 12.96,1292 0.447,1293 0.306,1294 8.675,1295 12.199,1296 8.335,1297 6.994,1298 12.96,1299 8.882,1300 11.51,1301 0.281,1302 0.165,1303 11.51,1304 6.765,1305 9.819,1306 0.179,1307 0.092,1308 9.819,1309 5.047,1310 8.382,1311 0.116,1312 0.051,1313 8.382,1314 3.666,1315 6.715,1316 0.075,1317 0.029,1318 6.715,1319 2.645,1320 0.349,1321 83.161,1322 0.232,1323 25.783,1324 0.611,1325 140,1326 424.766,1327 157.1,1328 399.502,1329 547.04,1330 376,1331 166,1332 402.425,1333 183.849,1334 410.56,1335 595.54,1336 379,1337 7.374}
{0 CHEMBL123276,1 1.56,2 9.381,3 2.977,4 8.864,5 91.454,6 8.93,7 0.522,8 3.765,9 3.909,10 3.483,11 3.328,12 4.843,13 3.287,14 4.284,15 4.467,16 3.907,17 3.751,18 5.325,19 3.668,20 4.584,21 4.815,22 3.936,23 3.892,24 5.481,25 3.768,26 4.629,27 4.892,28 3.837,29 3.804,30 5.53,31 3.654,32 4.565,33 4.847,34 3.528,35 3.691,36 5.409,37 3.522,38 4.439,39 4.725,40 3.406,41 3.584,42 5.292,43 3.397,44 4.295,45 4.59,46 3.511,47 3.488,48 5.057,49 3.3,50 4.035,51 4.277,52 3.525,53 3.353,54 5.005,55 3.173,56 0.05,57 0.617,58 6.897,59 3.209,60 9.353,61 4.432,62 0.149,63 0.971,64 14.164,65 6.257,66 21.152,67 8.485,68 0.173,69 1.185,70 29.081,71 8.286,72 21.636,73 11.299,74 0.28,75 1.168,76 29.673,77 8.209,78 35.629,79 11.69,80 0.26,81 1.052,82 31.281,83 7.753,84 34.127,85 10.932,86 0.296,87 0.913,88 29.023,89 7.359,90 35.509,91 10.16,92 0.155,93 0.764,94 25.602,95 6.975,96 20.554,97 9.544,98 0.129,99 0.624,100 29.671,101 6,102 19.108,103 7.4,104 10,105 32,106 0.281,107 0.665,108 0.822,109 0.896,110 0.896,111 0.896,112 3.103,113 1.019,114 -4.65,115 -4.57,116 -4.3,117 1,119 38.5,121 3,122 1,125 1,139 4,140 1,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 3,172 3,173 3,175 4,178 9,180 1,182 3,187 4,189 4,191 1,193 3,195 1,196 1,197 1,198 8,200 2,201 3,204 4,205 1,207 1,212 3,215 5,218 3,224 2,225 1,226 1,228 1,229 8,231 1,241 6,246 4,250 1,251 2,253 1,254 4,256 2,260 2,265 1,270 1,273 537,274 14.033,275 14.033,276 14.033,277 14.033,278 14.033,279 12.427,280 19.751,281 8.275,282 14.433,283 11.371,284 11.371,285 11.371,286 11.371,287 11.371,288 8.993,289 26.697,290 3.979,291 12.089,292 3.725,293 1.593,294 0.718,295 0.308,296 0.308,297 0.308,298 3.784,300 1,301 1,302 1,303 423,304 2.345,307 171.008,311 88.596,314 1.506,315 15.782,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 44.25,327 197,328 4.417,329 3.269,330 6.502,331 4.048,332 3.079,333 4.091,334 0.4,335 10.175,336 2.99,337 4.044,338 2.963,339 5.521,340 3.607,341 2.664,342 3.648,344 7.487,345 2.503,346 3.572,347 2.548,348 5.294,349 3.359,350 2.398,351 2.836,353 6.835,354 2.301,355 3.357,356 2.356,357 5.062,358 2.982,359 2.061,360 2.582,362 5.804,363 1.899,364 3.304,365 2.221,366 4.971,367 2.924,368 1.992,369 2.552,371 5.761,372 1.859,373 3.166,374 2.096,375 4.734,376 2.81,377 1.902,378 2.261,380 5.263,381 1.612,382 2.67,383 1.325,384 3.71,385 2.181,386 1.209,387 1.748,389 2.629,390 1.131,391 2.094,392 1.289,393 3.49,394 1.983,395 1.008,396 1.069,398 2.565,399 0.981,400 1.818,401 0.883,402 3.238,403 1.642,404 0.692,405 0.759,407 1.662,408 0.655,409 1.24,410 0.196,411 2.738,412 0.966,413 0.022,414 0.026,415 0.056,416 0.021,417 0.94,418 0.171,419 2.567,420 0.502,421 -0.392,422 -0.494,423 -0.879,424 -0.21,425 0.867,426 -0.28,427 2.428,428 0.441,429 -0.442,430 -0.546,431 -1.144,432 -0.4,433 0.691,434 -0.403,435 2.105,436 0.294,437 -0.592,438 -0.693,439 -1.596,440 -0.541,441 0.334,442 -0.568,443 2,444 0.148,445 -0.815,446 -0.865,448 -2.155,449 -0.783,450 0.265,451 -0.734,452 1.671,453 0.059,454 -0.907,455 -1.08,457 -2.499,458 -0.877,459 10.833,460 0.516,461 0.558,462 0.027,463 27,464 1.286,465 13.5,466 0.643,467 13.5,468 0.643,469 17.929,470 0.854,471 22.167,472 0.568,473 15.253,474 0.726,475 4.763,476 0.227,477 5.351,478 0.255,479 0.197,481 0.323,485 1.097,486 1.188,487 0.508,488 0.754,489 1.228,490 0.82,491 0.537,492 1.048,493 0.554,494 0.881,495 0.374,496 0.96,497 1.058,498 1.181,499 0.861,500 1.023,501 0.847,502 1.058,503 0.942,504 1.078,505 0.654,506 0.971,507 0.858,508 1.065,509 1.213,510 0.957,511 0.746,512 0.907,513 1.354,514 1.015,515 0.955,516 0.706,517 0.805,518 0.893,519 1.195,520 1.008,521 0.704,522 0.779,523 0.763,524 0.781,525 0.692,526 0.813,527 0.916,528 1.046,529 1.951,530 1.383,531 0.813,532 1.13,533 5,534 0.07,535 2,536 1.313,537 1.44,538 0.354,539 0.264,540 0.28,541 0.135,542 0.161,543 4587,544 13187,545 2.074,546 46.2,547 4,548 6,551 5,552 2,553 1,555 1.627,556 1.938,557 3.213,558 2.798,559 1,560 1,562 1,564 60.859,565 1.56,566 3.692,567 4.567,568 4.978,569 4.978,570 4.978,571 2.707,572 4.011,573 4.366,574 3.36,575 705.536,576 7.455,577 7558.98,578 1,579 1,580 1,581 1,582 206.131,583 1.418,584 4.322,585 0.217,586 0.007,587 0.063,588 0.042,589 0.058,590 0.018,591 0.016,592 0.016,593 0.008,594 0.012,595 0.457,596 0.17,597 1,598 0.61,599 95.599,600 -0.192,601 0.049,602 -0.006,603 0.092,604 -0.209,605 0.086,606 0.265,607 0.074,608 0.032,609 0.006,610 0.337,611 -0.012,612 -0.137,613 -0.158,614 -0.053,615 -0.094,616 -0.079,617 -0.101,618 0.025,619 -0.106,620 0.001,621 -0.105,622 0.046,623 -0.126,624 -0.213,625 -0.016,626 -0.053,627 -0.036,628 -0.257,629 -0.073,630 -0.01,631 0.218,632 -0.05,633 0.011,634 -0.162,635 -0.045,636 0.049,637 0.073,638 0.074,639 0.188,640 0.035,641 0.209,642 0.034,643 -0.128,644 -0.152,645 -0.131,646 0.108,647 -0.059,648 1.392,649 1.974,650 0.762,651 15.973,652 0.998,653 1.134,654 3.42,655 11.698,656 0.685,657 3.178,658 3.497,659 3.714,660 3.97,661 4.19,662 4.159,663 4.19,664 4.263,665 4.382,666 4.344,667 5.616,668 0.636,669 348.28,670 3.178,671 4.71,672 5.541,673 6.412,674 7.259,675 8.132,676 8.986,677 9.86,678 10.719,679 11.593,680 12.8,684 2,685 1,690 2,695 4,696 2,700 6,702 12,711 2,712 1,717 1,718 39,719 12,720 1,721 23,722 1,723 41,724 15,725 10,726 2,727 4,729 3,730 4,736 3,737 1,739 3,741 10,742 5,743 1,753 1,754 1,757 18,758 5,759 5,760 6,761 1,764 5,769 0.667,776 1,781 3,785 1,802 2,805 1,810 21,811 2,816 4,817 1,820 1,828 1,836 10.833,837 6.626,838 4.556,839 2.27,840 2.202,841 1.323,842 1.011,843 4.313,844 9.013,845 3.401,846 3.989,847 4.483,848 4.999,849 5.462,850 5.454,851 5.448,852 5.652,853 5.961,854 6.08,855 1,856 31,857 7.726,859 3.247,860 7.623,861 14.998,863 12.481,865 2.123,866 44.583,867 0.001,870 153.024,871 63.595,872 163.33,877 109.55,878 153.024,879 117.376,881 9.709,882 103.699,883 51.582,884 11.754,885 4.227,886 153.024,887 45.954,888 153.024,889 180.972,892 45.954,893 141.253,894 11.771,897 14.365,898 115.025,899 51.582,900 45.954,901 153.024,902 117.376,903 109.55,906 153.024,907 25.69,908 37.905,909 63.965,910 99.365,911 153.024,912 117.376,913 109.55,915 0.584,916 0.328,917 0.179,918 0.099,919 16,920 7,921 0.073,922 3,923 1,924 1.125,925 3.39,926 157.605,927 0.125,928 16,929 90.239,933 14.606,934 6.2,935 3.472,937 117.376,938 8.191,939 8.368,943 5.086,945 83.805,946 379.95,947 29,956 38.923,957 44.24,958 0.295,959 0.699,960 0.864,961 0.942,962 0.942,963 0.942,964 4.635,965 1.008,966 5.525,967 2.629,968 4.174,969 4.673,970 0.278,971 6.297,972 4.063,973 5.83,974 0.692,975 7.059,976 2.565,977 3.761,978 4.477,980 7.081,981 3.551,982 7.127,983 0.022,984 8.685,985 1.662,986 5.733,987 6.815,988 0.05,989 10.155,990 5.542,991 8.451,992 -0.392,993 10.363,994 0.056,995 6.066,996 7.365,998 11.748,999 5.803,1000 9.804,1001 -0.442,1002 12.077,1003 -0.879,1004 7.544,1005 9.23,1006 0.008,1007 14.354,1008 7.289,1009 11.176,1010 -0.592,1011 13.816,1012 -1.144,1013 8.252,1014 10.157,1016 16.337,1017 7.947,1018 12.565,1019 -0.815,1020 15.575,1021 -1.596,1022 9.515,1023 11.803,1024 0.001,1025 18.767,1026 9.206,1027 3.079,1028 -0.907,1029 17.35,1030 -2.155,1031 10.422,1032 12.937,1034 20.936,1035 10.075,1036 2.664,1037 10.175,1038 19.141,1039 -2.499,1040 11.59,1041 14.468,1043 23.298,1044 11.231,1045 2.398,1046 7.487,1047 20.944,1048 4.091,1049 12.599,1050 15.716,1052 25.551,1053 12.208,1054 2.061,1055 6.835,1056 22.757,1057 3.648,1058 13.729,1059 17.186,1061 27.886,1062 13.321,1063 1.992,1064 5.804,1065 24.58,1066 2.836,1067 14.79,1068 18.499,1070 30.176,1071 14.354,1072 1.902,1073 5.761,1074 26.411,1075 2.582,1076 15.907,1077 19.936,1079 32.502,1080 15.449,1081 1.209,1082 5.263,1083 28.249,1084 2.552,1085 16.995,1086 21.286,1088 34.808,1089 16.51,1090 4446,1091 7627,1092 15.315,1093 26.711,1094 34.184,1095 34.432,1096 34.957,1097 34.308,1098 34.056,1099 43.141,1100 0.8,1101 96.473,1102 31.903,1103 5.362,1104 5.269,1105 6.063,1106 5.12,1107 5.079,1108 7.091,1109 0.8,1110 17.069,1111 4.99,1112 9.883,1113 1.486,1114 1.497,1115 1.52,1116 1.492,1117 1.481,1118 1.876,1119 0.035,1120 4.194,1121 1.387,1122 4.006,1123 4.053,1124 6.88,1125 3.902,1126 5.282,1127 3.9,1128 3.887,1129 3.919,1130 3.941,1131 3.829,1132 4.978,1133 3.818,1134 3.575,1135 3.646,1136 3.749,1137 3.39,1138 4.774,1139 3.404,1140 3.233,1141 3.323,1142 3.458,1143 3.045,1144 4.463,1145 3.035,1146 3.137,1147 3.244,1148 3.06,1149 2.916,1150 4.161,1151 2.908,1152 2.914,1153 3.02,1154 3,1155 2.842,1156 3.894,1157 2.788,1158 2.869,1159 2.915,1160 2.731,1161 2.703,1162 3.762,1163 2.703,1164 2.795,1165 2.902,1166 2.59,1167 2.498,1168 3.687,1169 2.51,1170 0.192,1171 0.142,1172 0.283,1173 0.176,1174 0.134,1175 4.417,1176 0.178,1177 3.269,1178 0.017,1179 6.502,1180 0.442,1181 4.048,1182 0.13,1183 3.079,1184 4.091,1185 0.4,1186 10.175,1187 2.99,1188 1.953,1189 1.912,1190 2.092,1191 2.092,1192 1.45,1193 2.092,1194 1.872,1195 1.846,1196 1.956,1197 1.963,1198 1.078,1199 1.971,1200 1.52,1201 1.455,1202 1.671,1203 1.744,1204 0.843,1205 1.736,1206 1.218,1207 1.136,1208 1.516,1209 1.462,1210 0.746,1211 1.485,1212 1.067,1213 0.978,1214 1.342,1215 1.396,1216 0.407,1217 1.386,1218 0.88,1219 0.831,1220 1.216,1221 1.196,1222 0.188,1223 1.226,1224 0.87,1225 0.79,1226 1.114,1227 1.062,1228 0.135,1229 1.083,1230 0.758,1231 0.639,1232 1.046,1233 0.994,1234 0.073,1235 1.041,1236 3.85,1238 5.165,1240 6.673,1242 8.276,1244 9.927,1245 3.481,1250 11.621,1252 3.823,1253 3.481,1256 0.533,1262 24.82,1263 60.859,1264 143.992,1265 178.131,1266 194.131,1267 194.131,1268 194.131,1269 28.334,1270 6.811,1271 89.85,1272 89.85,1273 18,1274 12.136,1275 3.7,1276 2.807,1277 32.372,1278 71,1279 60,1280 0.226,1281 160.796,1282 267.62,1283 384.103,1284 7763,1285 2.6,1286 14.82,1287 0.706,1288 0.63,1289 15.82,1290 13.228,1291 10.114,1292 0.44,1293 0.34,1294 6.997,1295 9.271,1296 6.805,1297 5.619,1298 10.692,1299 7.811,1300 9.372,1301 0.293,1302 0.197,1303 10.189,1304 6.308,1305 7.395,1306 0.185,1307 0.108,1308 7.919,1309 4.337,1310 6.327,1311 0.122,1312 0.061,1313 6.864,1314 3.164,1315 5.022,1316 0.077,1317 0.035,1318 5.376,1319 2.263,1320 0.355,1321 70.905,1322 0.256,1323 20.964,1324 0.613,1325 110,1326 272.902,1327 183.975,1328 311.852,1329 420.88,1330 290,1331 127,1332 290.747,1333 162.758,1334 309.68,1335 448.65,1336 292,1337 6.644}
{0 CHEMBL123892,1 1.739,2 9.286,3 2.684,4 7.203,5 86.864,6 8.372,7 0.696,8 3.713,9 3.838,10 3.423,11 3.266,12 4.912,13 3.239,14 4.167,15 4.327,16 3.834,17 3.64,18 5.343,19 3.588,20 4.277,21 4.425,22 3.886,23 3.763,24 5.395,25 3.673,26 4.349,27 4.522,28 3.748,29 3.718,30 5.5,31 3.599,32 4.4,33 4.655,34 3.574,35 3.601,36 5.408,37 3.473,38 4.246,39 4.51,40 3.336,41 3.487,42 5.103,43 3.323,44 4.017,45 4.231,46 3.149,47 3.29,48 5.062,49 3.165,50 3.947,51 4.199,52 3.018,53 3.035,54 5.01,55 2.978,56 0.076,57 0.592,58 7.022,59 3.003,60 10.679,61 3.527,62 0.251,63 0.896,64 13.806,65 5.455,66 22.535,67 6.469,68 0.179,69 1.025,70 17.536,71 6.437,72 14.746,73 6.946,74 0.266,75 1.066,76 20.316,77 7.109,78 24.356,79 8.171,80 0.358,81 1.014,82 20.825,83 5.671,84 36.879,85 7.671,86 0.168,87 0.817,88 19.576,89 6.773,90 17.796,91 9.054,92 0.183,93 0.687,94 16.24,95 5.186,96 18.153,97 6.257,98 0.167,99 0.579,100 11.677,101 3.667,102 20.171,103 5.088,104 18,105 33,106 0.315,107 0.699,108 0.788,109 0.828,110 0.828,111 0.828,112 3.103,113 0.93,114 -3.98,115 -3.93,116 -3.73,119 38.9,120 1,124 1,139 4,140 2,141 2,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 4,169 1,170 4,172 3,173 4,175 4,178 6,180 1,182 4,187 2,189 6,191 1,193 3,195 1,196 2,197 3,198 4,200 4,201 2,204 2,205 1,207 2,212 4,215 6,218 2,221 2,226 2,229 4,231 2,234 5,237 1,239 2,243 2,246 4,251 4,256 4,259 1,265 2,270 2,273 542,274 14.041,275 14.041,276 14.041,277 14.041,278 14.041,279 12.038,280 15.287,281 8.065,282 14.632,283 11.272,284 11.272,285 11.272,286 11.272,287 11.272,288 8.231,289 17.011,290 3.766,291 12.196,292 3.431,293 1.309,294 0.82,295 0.597,296 0.597,297 0.597,298 3.78,300 1,301 1,302 1,303 417,304 2.449,306 42.187,307 119.397,310 82.23,314 1.374,315 16.276,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 45.5,327 195,328 4.7,329 4.576,330 6.875,331 4.215,332 3.26,333 4.676,334 2.95,335 11.406,336 3.118,337 4.056,338 3.371,339 5.787,340 3.607,341 2.68,342 3.65,343 0.86,344 7.957,345 2.486,346 3.831,347 2.936,348 5.435,349 3.375,350 2.459,351 3.316,353 7.088,354 2.239,355 3.496,356 2.759,357 5.162,358 3.07,359 2.165,360 2.837,362 6.274,363 1.938,364 3.406,365 2.306,366 5.078,367 2.923,368 2.003,369 2.746,371 5.95,372 1.836,373 3.179,374 2.006,375 4.923,376 2.708,377 1.777,378 2.437,380 5.404,381 1.647,382 2.529,383 1.728,384 4.217,385 2.125,386 1.209,387 1.537,389 3.346,390 1.095,391 2.5,392 1.295,393 3.414,394 2,395 1,396 1.5,398 2.275,399 1,400 1.747,401 1,402 3.104,403 1.436,404 0.583,405 0.655,407 1.009,408 0.491,409 1.274,410 0.688,411 2.729,412 0.908,413 0.038,414 0.045,415 0.085,416 0.032,417 1.143,418 0.408,419 2.674,420 0.735,421 -0.183,422 -0.23,423 -0.467,424 -0.169,425 0.914,426 0.016,427 2.485,428 0.494,429 -0.413,430 -0.524,431 -0.983,432 -0.37,433 0.632,434 -0.305,435 2.228,436 0.282,437 -0.621,438 -0.724,439 -1.402,440 -0.552,441 0.5,442 -0.503,443 2,445 -0.963,446 -1.173,448 -2.452,449 -0.865,450 0.284,451 -0.623,452 1.732,453 -0.054,454 -1,455 -1.5,457 -3,458 -1,459 10.167,460 0.484,461 0.592,462 0.028,463 30,464 1.429,465 16,466 0.762,467 14,468 0.667,469 14.587,470 0.695,471 22.233,472 0.618,473 19.578,474 0.932,475 5.941,476 0.283,477 4.139,478 0.197,479 0.177,481 0.393,485 1.121,486 1.129,487 0.758,488 0.817,489 1.322,490 0.786,491 0.865,492 0.793,493 0.697,494 0.771,495 0.535,496 0.705,497 1.21,498 1.273,499 1.328,500 1.225,501 0.977,502 1.03,503 0.8,504 1.293,505 1.474,506 1.539,507 0.692,508 1.354,509 1.098,510 0.851,511 1.019,512 0.874,513 1.466,514 0.991,515 0.421,516 0.971,517 0.857,518 1.039,519 0.437,520 0.97,521 0.794,522 1.222,523 1.462,524 1.453,525 0.944,526 1.226,527 1.23,528 1.063,529 0.641,530 0.79,531 1.073,532 0.899,533 5,534 0.065,535 2.222,536 2.167,537 1.312,538 0.73,539 0.375,540 0.249,541 0.196,542 0.117,543 4242,544 12661,545 2.045,546 41.7,547 3,548 7,551 5,555 1.63,556 1.881,557 3.163,558 2.845,559 1,560 1,562 1,564 62.601,565 1.739,566 3.861,567 4.35,568 4.572,569 4.572,570 4.572,571 2.661,572 4.202,573 4.361,574 3.289,575 690.645,576 7.465,577 7196.71,578 1,579 1,580 1,581 1,582 186.117,583 1.51,584 4.305,585 0.217,586 0.011,587 0.067,588 0.066,589 0.047,590 0.035,591 0.02,592 0.015,593 0.013,594 0.012,595 0.502,596 0.33,597 1,598 0.874,599 94.475,600 -0.203,601 0.029,602 0.033,603 0.115,604 -0.345,605 0.094,606 0.191,607 0.275,608 0.247,609 0.245,610 0.28,611 0.239,612 -0.244,613 -0.127,614 -0.133,615 -0.036,616 -0.164,617 -0.077,618 0.074,619 -0.195,620 -0.304,621 -0.387,622 0.166,623 -0.387,624 -0.228,625 0.156,626 -0.057,627 0.041,628 -0.39,629 -0.048,630 0.151,631 -0.11,632 0.162,633 0.009,634 0.204,635 0.122,636 0.025,637 -0.225,638 -0.313,639 -0.331,640 -0.023,641 -0.21,642 -0.094,643 -0.198,644 0.088,645 -0.033,646 0.037,647 0.041,648 1.498,649 1.926,650 0.714,651 15.497,652 1.009,653 1.13,654 2.753,655 7.577,656 0.693,657 3.178,658 3.526,659 3.807,660 4.094,661 4.277,662 4.357,663 4.407,664 4.5,665 4.489,666 4.466,667 5.318,668 0.657,669 301.41,670 3.178,671 4.727,672 5.587,673 6.482,674 7.359,675 8.261,676 9.147,677 10.052,678 10.944,679 11.852,680 13.9,684 2,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,716 1,718 36,719 16,720 1,721 23,723 38,724 14,725 12,726 2,727 4,729 3,730 4,734 1,741 12,742 2,753 1,754 1,757 15,758 5,759 5,760 7,761 1,764 5,769 0.667,770 1,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 2,810 21,811 2,818 1,819 1,829 2.8,834 1,836 11.167,837 6.983,838 4.611,839 1.839,840 3.116,841 1.455,842 1.02,843 3.758,844 9.968,845 3.466,846 4.155,847 4.793,848 5.439,849 5.962,850 6.277,851 6.634,852 7.045,853 7.238,854 7.504,855 1,856 33,857 7.67,859 3.203,860 7.746,861 14.5,863 11.618,865 2.246,866 47.167,870 117.711,871 109.45,872 116.151,874 11,876 32.22,877 77.23,878 128.711,879 116.151,880 19.708,882 103.699,883 35.286,884 41.46,885 4.227,886 149.931,888 117.711,889 193.381,890 11,891 32.22,893 117.711,894 11,897 30.347,898 129.463,899 33.571,900 32.22,901 117.711,902 127.151,903 109.45,906 117.711,907 51.836,908 57.613,909 16.786,910 110.365,911 117.711,912 127.151,913 109.45,915 0.588,916 0.35,917 0.19,918 0.1,919 17,920 8,921 0.079,922 3,923 1,924 1.133,925 3.299,926 162.738,927 0.133,928 15,929 88.239,930 1,933 14.195,934 5.559,935 2.699,936 1.48,937 110.365,938 7.842,939 8.189,940 3.243,943 4.473,945 82.58,946 354.312,947 31,956 36.331,957 40.697,958 0.336,959 0.747,960 0.841,961 0.884,962 0.884,963 0.884,964 4.7,965 1,966 5.595,967 3.346,968 4.205,969 4.84,970 2.99,971 6.431,972 4.058,973 5.948,974 0.583,975 7.172,976 2.275,977 3.892,978 4.808,980 7.368,981 3.686,982 7.283,983 0.038,984 8.846,985 1.009,986 5.826,987 7.161,988 5.034,989 10.485,990 5.558,991 8.656,992 -0.183,993 10.574,994 0.085,995 6.293,996 7.935,998 12.266,999 5.981,1000 10.058,1001 -0.413,1002 12.34,1003 -0.467,1004 7.738,1005 9.793,1006 7.185,1007 14.931,1008 7.378,1009 11.484,1010 -0.621,1011 14.133,1012 -0.983,1013 8.577,1014 10.965,1016 17.097,1017 8.182,1018 12.928,1019 -0.963,1020 15.948,1021 -1.402,1022 9.836,1023 12.625,1024 9.348,1025 19.61,1026 9.401,1027 3.26,1028 -1,1029 17.782,1030 -2.452,1031 10.854,1032 13.994,1034 21.938,1035 10.385,1036 2.68,1037 11.406,1038 19.632,1039 -3,1040 12.047,1041 15.576,1042 11.511,1043 24.399,1044 11.541,1045 2.459,1046 7.957,1047 21.496,1048 4.676,1049 13.149,1050 17.038,1052 26.792,1053 12.607,1054 2.165,1055 7.088,1056 23.371,1057 3.65,1058 14.323,1059 18.591,1060 13.675,1061 29.234,1062 13.744,1063 2.003,1064 6.274,1065 25.255,1066 3.316,1067 15.464,1068 20.096,1070 31.652,1071 14.847,1072 1.777,1073 5.95,1074 27.148,1075 2.837,1076 16.634,1077 21.639,1078 15.838,1079 34.089,1080 15.979,1081 1.209,1082 5.404,1083 29.047,1084 2.746,1085 17.794,1086 23.163,1088 36.517,1089 17.099,1090 4187,1091 7349,1092 15.027,1093 24.938,1094 34.624,1095 37.443,1096 36.339,1097 34.328,1098 34.347,1099 46.795,1100 7.62,1101 101.589,1102 31.764,1103 5.473,1104 6.576,1105 6.428,1106 5.367,1107 5.26,1108 7.676,1109 5.9,1110 18.553,1111 5.118,1112 11.224,1113 1.505,1114 1.628,1115 1.58,1116 1.493,1117 1.493,1118 2.035,1119 0.331,1120 4.417,1121 1.381,1122 4.11,1123 4.151,1124 4.185,1125 4.007,1126 5.319,1127 4.008,1128 3.877,1129 3.896,1130 3.89,1131 3.812,1132 4.981,1133 3.806,1134 3.445,1135 3.521,1136 3.522,1137 3.25,1138 4.866,1139 3.255,1140 3.245,1141 3.309,1142 3.185,1143 3.009,1144 4.738,1145 2.998,1146 3.127,1147 3.239,1148 2.998,1149 2.851,1150 4.355,1151 2.857,1152 3.014,1153 3.143,1154 2.871,1155 2.735,1156 4.098,1157 2.715,1158 2.854,1159 2.925,1160 2.776,1161 2.703,1162 3.86,1163 2.714,1164 2.77,1165 2.814,1166 2.687,1167 2.686,1168 3.674,1169 2.639,1170 0.204,1171 0.199,1172 0.299,1173 0.183,1174 0.142,1175 4.7,1176 0.203,1177 4.576,1178 0.128,1179 6.875,1180 0.496,1181 4.215,1182 0.136,1183 3.26,1184 4.676,1185 2.95,1186 11.406,1187 3.118,1188 1.876,1189 1.861,1190 1.959,1191 2.01,1192 1.084,1193 1.972,1194 1.826,1195 1.788,1196 1.886,1197 1.954,1198 1.011,1199 1.967,1200 1.533,1201 1.484,1202 1.679,1203 1.717,1204 0.715,1205 1.724,1206 1.194,1207 1.124,1208 1.565,1209 1.499,1210 0.574,1211 1.523,1212 1.076,1213 0.979,1214 1.308,1215 1.415,1216 0.34,1217 1.403,1218 0.945,1219 0.825,1220 1.262,1221 1.35,1222 0.218,1223 1.342,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1228 0.055,1229 1.107,1230 0.774,1231 0.72,1232 0.991,1233 0.987,1235 1.023,1236 3.85,1238 5.187,1239 2.398,1240 6.718,1241 4.844,1242 8.338,1243 7.034,1244 10.006,1246 3.635,1250 11.551,1254 5.154,1255 1.598,1262 23.643,1263 62.601,1264 138.998,1265 156.608,1266 164.608,1267 164.608,1268 164.608,1269 25.445,1270 6.852,1271 102.84,1272 128.14,1273 17,1274 12.372,1275 4.087,1276 3.17,1277 32.277,1278 66,1279 77,1280 0.245,1281 151.49,1282 244.8,1283 361.395,1284 7590,1286 14.983,1287 0.713,1288 0.595,1289 15.336,1290 12.492,1291 10.08,1292 0.438,1293 0.31,1294 6.278,1295 9.205,1296 5.992,1297 5.016,1298 10.488,1299 7.13,1300 9.277,1301 0.281,1302 0.171,1303 9.946,1304 5.631,1305 7.817,1306 0.178,1307 0.098,1308 8.608,1309 4.301,1310 6.76,1311 0.115,1312 0.052,1313 7.551,1314 3.045,1315 5.001,1316 0.07,1317 0.03,1318 5.926,1319 2.107,1320 0.378,1321 67.478,1322 0.258,1323 20.7,1324 0.686,1325 112,1326 328.844,1327 149.55,1328 343.589,1329 478.72,1330 322,1331 133,1332 348.866,1333 165.365,1334 371.618,1335 543.46,1336 348,1337 4.504}
{0 CHEMBL123984,1 1.739,2 8.619,3 2.684,4 7.203,5 86.864,6 8.372,7 0.696,8 3.713,9 3.838,10 3.423,11 3.266,12 4.912,13 3.239,14 4.167,15 4.327,16 3.834,17 3.64,18 5.344,19 3.588,20 4.277,21 4.425,22 3.886,23 3.763,24 5.389,25 3.673,26 4.349,27 4.522,28 3.821,29 3.72,30 5.508,31 3.61,32 4.406,33 4.652,34 3.591,35 3.635,36 5.42,37 3.502,38 4.27,39 4.512,40 3.354,41 3.524,42 5.166,43 3.364,44 4.091,45 4.314,46 3.228,47 3.306,48 5.138,49 3.226,50 4.047,51 4.293,52 3.037,53 3.145,54 5.105,55 3.064,56 0.076,57 0.592,58 7.022,59 3.003,60 10.679,61 3.527,62 0.251,63 0.896,64 13.806,65 5.455,66 22.58,67 6.469,68 0.179,69 1.025,70 17.536,71 6.437,72 14.61,73 6.946,74 0.266,75 1.067,76 20.346,77 7.062,78 23.727,79 8.125,80 0.361,81 1.031,82 21.213,83 5.893,84 36.85,85 7.649,86 0.206,87 0.848,88 21.768,89 7.267,90 17.841,91 9.252,92 0.17,93 0.708,94 14.455,95 4.83,96 19.639,97 6.207,98 0.264,99 0.639,100 12.792,101 3.989,102 24.42,103 5.476,104 18,105 33,106 0.315,107 0.699,108 0.808,109 0.868,110 0.868,111 0.868,112 3.104,113 0.93,114 -3.98,115 -3.93,116 -3.73,119 38.9,120 1,124 1,139 4,140 2,141 2,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 4,169 1,170 4,172 3,173 4,175 4,178 7,180 1,182 3,187 2,189 4,191 1,193 5,195 1,196 2,197 3,198 4,200 4,201 3,204 2,205 1,207 1,212 3,215 5,218 2,221 3,224 1,226 3,229 3,231 2,234 5,239 2,241 2,243 2,245 1,246 2,251 3,256 3,259 1,260 1,262 1,263 1,265 2,270 2,273 532,274 14.041,275 14.041,276 14.041,277 14.041,278 14.041,279 12.038,280 15.287,281 8.103,282 14.632,283 11.289,284 11.289,285 11.289,286 11.289,287 11.289,288 8.237,289 17.639,290 3.787,291 12.207,292 3.431,293 1.309,294 0.709,295 0.375,296 0.375,297 0.375,298 3.78,300 1,301 1,302 1,303 386,304 2.449,306 40.81,307 117.931,310 79.837,314 1.256,315 16.486,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 45.5,327 181,328 4.7,329 4.577,330 6.875,331 4.216,332 3.261,333 4.676,334 2.95,335 11.407,336 3.119,337 4.085,338 3.377,339 5.802,340 3.639,341 2.712,342 3.683,343 0.86,344 8.084,345 2.512,346 3.827,347 2.951,348 5.519,349 3.369,350 2.453,351 3.313,353 7.276,354 2.235,355 3.458,356 2.712,357 5.148,358 3.01,359 2.107,360 2.822,362 6.121,363 1.89,364 3.357,365 2.303,366 5.005,367 2.891,368 1.977,369 2.648,371 5.8,372 1.794,373 3.159,374 2.005,375 4.872,376 2.697,377 1.763,378 2.404,380 5.305,381 1.639,382 2.685,383 1.727,384 4.213,385 2.222,386 1.265,387 1.766,389 3.342,390 1.204,391 2.513,392 1.435,393 3.498,394 2.084,395 1.141,396 1.517,398 2.617,399 1.064,400 1.584,401 0.938,402 3.04,403 1.294,404 0.431,405 0.482,407 0.628,408 0.368,409 1.325,410 0.633,411 2.725,412 0.923,413 0.044,414 0.054,415 0.123,416 0.037,417 1.143,418 0.355,419 2.683,420 0.733,421 -0.185,422 -0.233,423 -0.482,424 -0.17,425 0.905,426 0.012,427 2.515,428 0.469,429 -0.444,430 -0.564,431 -1.128,432 -0.401,433 0.623,434 -0.306,435 2.273,436 0.257,437 -0.658,438 -0.787,439 -1.47,440 -0.593,441 0.57,442 -0.395,443 1.861,444 0.149,445 -0.794,446 -0.999,448 -1.89,449 -0.73,450 0.266,451 -0.611,452 1.638,453 -0.113,454 -1.05,455 -1.402,457 -2.887,458 -0.971,459 10.167,460 0.484,461 0.592,462 0.028,463 30,464 1.429,465 16,466 0.762,467 14,468 0.667,469 14.709,470 0.7,471 22.233,472 0.618,473 19.669,474 0.937,475 5.941,476 0.283,477 4.139,478 0.197,479 0.177,481 0.393,485 1.121,486 1.129,487 0.758,488 0.817,489 1.322,490 0.786,491 0.865,492 0.793,493 0.697,494 0.771,495 0.532,496 0.705,497 1.21,498 1.273,499 1.328,500 1.225,501 1.001,502 1.03,503 0.715,504 1.294,505 1.35,506 1.528,507 0.633,508 1.308,509 1.259,510 0.834,511 1.157,512 0.882,513 1.507,514 0.984,515 0.442,516 1.094,517 1.18,518 1.33,519 0.456,520 1.116,521 1.112,522 1.118,523 0.962,524 1.06,525 1.006,526 1.047,527 1.328,528 0.953,529 0.783,530 0.767,531 1.165,532 0.988,533 5,534 0.049,535 2,536 2.417,537 1.232,538 0.73,539 0.336,540 0.292,541 0.174,542 0.11,543 4122,544 12245,545 2.045,546 41.7,547 3,548 7,551 5,555 1.633,556 1.881,557 3.095,558 2.845,559 1,560 1,562 1,564 62.601,565 1.739,566 3.861,567 4.461,568 4.795,569 4.795,570 4.795,571 2.489,572 4.202,573 4.365,574 3.207,575 673.449,576 7.482,577 7017.95,578 1,579 1,580 1,581 1,582 186.117,583 1.51,584 4.305,585 0.217,586 0.01,587 0.061,588 0.073,589 0.042,590 0.033,591 0.017,592 0.015,593 0.012,594 0.011,595 0.491,596 0.33,597 1,598 0.874,599 93.944,600 -0.203,601 0.029,602 0.033,603 0.115,604 -0.345,605 0.094,606 0.191,607 0.275,608 0.247,609 0.245,610 0.282,611 0.239,612 -0.244,613 -0.127,614 -0.133,615 -0.036,616 -0.189,617 -0.077,618 0.161,619 -0.195,620 -0.176,621 -0.375,622 0.225,623 -0.34,624 -0.318,625 0.19,626 -0.133,627 0.079,628 -0.415,629 -0.042,630 0.204,631 -0.195,632 -0.038,633 -0.188,634 0.193,635 -0.024,636 -0.114,637 -0.191,638 -0.103,639 -0.159,640 -0.044,641 -0.08,642 -0.119,643 -0.073,644 -0.064,645 -0.016,646 -0.081,647 -0.065,648 1.501,649 1.93,650 0.714,651 14.571,652 1.009,653 1.13,654 2.753,655 7.577,656 0.693,657 3.178,658 3.526,659 3.807,660 4.111,661 4.277,662 4.357,663 4.419,664 4.5,665 4.511,666 4.454,667 5.121,668 0.657,669 301.41,670 3.178,671 4.727,672 5.587,673 6.485,674 7.362,675 8.266,676 9.152,677 10.06,678 10.951,679 11.861,680 13.9,684 2,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,716 1,718 36,719 16,720 1,721 23,723 38,724 14,725 12,726 2,727 4,729 3,730 4,734 1,741 12,742 2,753 1,754 1,757 15,758 5,759 5,760 7,761 1,764 5,769 0.667,770 1,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 2,810 21,811 2,818 1,819 1,829 2.8,834 1,836 11.167,837 6.983,838 4.611,839 1.839,840 3.135,841 1.457,842 1.02,843 3.758,844 9.987,845 3.466,846 4.155,847 4.793,848 5.449,849 5.957,850 6.278,851 6.638,852 7.048,853 7.252,854 7.481,855 0.833,856 33,857 7.671,859 3.205,860 7.746,861 14.5,863 11.618,865 2.246,866 47.167,870 117.711,871 109.45,872 116.151,874 11,876 32.22,877 77.23,878 128.711,879 116.151,880 19.708,882 103.699,883 35.286,884 41.46,885 4.227,886 149.931,888 117.711,889 193.381,890 11,891 32.22,893 117.711,894 11,897 30.347,898 129.463,899 33.571,900 32.22,901 117.711,902 127.151,903 109.45,906 117.711,907 51.836,908 57.613,909 16.786,910 110.365,911 117.711,912 127.151,913 109.45,915 0.586,916 0.349,917 0.195,918 0.101,919 17,920 8,921 0.079,922 3,923 1,924 1.133,925 3.275,926 163.821,927 0.133,928 15,929 92.239,930 1,933 14.195,934 5.559,935 2.699,936 1.47,937 110.365,938 7.845,939 8.192,940 3.243,943 4.406,945 82.58,946 354.312,947 31,956 36.331,957 40.697,958 0.336,959 0.747,960 0.863,961 0.927,962 0.927,963 0.927,964 4.7,965 1.141,966 5.595,967 3.342,968 4.205,969 4.84,970 2.99,971 6.435,972 4.058,973 5.948,974 0.431,975 7.172,976 2.617,977 3.892,978 4.808,980 7.368,981 3.686,982 7.283,983 0.044,984 8.846,985 0.628,986 5.826,987 7.161,988 5.034,989 10.495,990 5.558,991 8.656,992 -0.185,993 10.576,994 0.123,995 6.293,996 7.935,998 12.274,999 5.981,1000 10.059,1001 -0.444,1002 12.342,1003 -0.482,1004 7.74,1005 9.795,1006 7.185,1007 14.944,1008 7.38,1009 11.484,1010 -0.658,1011 14.137,1012 -1.128,1013 8.582,1014 10.968,1016 17.106,1017 8.186,1018 12.93,1019 -0.794,1020 15.953,1021 -1.47,1022 9.843,1023 12.629,1024 9.348,1025 19.62,1026 9.406,1027 3.261,1028 -1.05,1029 17.788,1030 -1.89,1031 10.863,1032 13.999,1034 21.946,1035 10.392,1036 2.712,1037 11.407,1038 19.639,1039 -2.887,1040 12.057,1041 15.581,1042 11.511,1043 24.405,1044 11.548,1045 2.453,1046 8.084,1047 21.503,1048 4.676,1049 13.16,1050 17.043,1052 26.796,1053 12.615,1054 2.107,1055 7.276,1056 23.378,1057 3.683,1058 14.333,1059 18.595,1060 13.675,1061 29.238,1062 13.75,1063 1.977,1064 6.121,1065 25.262,1066 3.313,1067 15.474,1068 20.1,1070 31.655,1071 14.853,1072 1.763,1073 5.8,1074 27.154,1075 2.822,1076 16.644,1077 21.642,1078 15.838,1079 34.091,1080 15.984,1081 1.265,1082 5.305,1083 29.053,1084 2.648,1085 17.803,1086 23.166,1088 36.518,1089 17.104,1090 4075,1091 7141,1092 15.027,1093 24.938,1094 34.475,1095 37.404,1096 36.292,1097 34.256,1098 34.308,1099 46.731,1100 7.62,1101 101.404,1102 31.726,1103 5.476,1104 6.577,1105 6.468,1106 5.368,1107 5.261,1108 7.676,1109 5.9,1110 18.555,1111 5.119,1112 11.127,1113 1.499,1114 1.626,1115 1.578,1116 1.489,1117 1.492,1118 2.032,1119 0.331,1120 4.409,1121 1.379,1122 4.11,1123 4.151,1124 4.185,1125 4.007,1126 5.319,1127 4.008,1128 3.877,1129 3.896,1130 3.891,1131 3.812,1132 4.981,1133 3.806,1134 3.443,1135 3.52,1136 3.514,1137 3.248,1138 4.865,1139 3.253,1140 3.247,1141 3.312,1142 3.166,1143 2.993,1144 4.736,1145 2.988,1146 3.129,1147 3.241,1148 3.013,1149 2.899,1150 4.366,1151 2.877,1152 3.014,1153 3.143,1154 2.953,1155 2.755,1156 4.104,1157 2.747,1158 2.864,1159 2.911,1160 2.776,1161 2.703,1162 3.86,1163 2.714,1164 2.747,1165 2.815,1166 2.566,1167 2.615,1168 3.655,1169 2.585,1170 0.204,1171 0.199,1172 0.299,1173 0.183,1174 0.142,1175 4.7,1176 0.203,1177 4.577,1178 0.128,1179 6.875,1180 0.496,1181 4.216,1182 0.136,1183 3.261,1184 4.676,1185 2.95,1186 11.407,1187 3.119,1188 1.876,1189 1.861,1190 1.96,1191 2.01,1192 1.084,1193 1.972,1194 1.826,1195 1.788,1196 1.886,1197 1.954,1198 1.011,1199 1.967,1200 1.533,1201 1.484,1202 1.679,1203 1.717,1204 0.715,1205 1.724,1206 1.195,1207 1.124,1208 1.568,1209 1.505,1210 0.574,1211 1.527,1212 1.082,1213 0.991,1214 1.31,1215 1.416,1216 0.35,1217 1.405,1218 0.945,1219 0.826,1220 1.263,1221 1.35,1222 0.172,1223 1.342,1224 0.865,1225 0.811,1226 1.109,1227 1.025,1228 0.102,1229 1.073,1230 0.77,1231 0.705,1232 1.015,1233 0.974,1235 1.008,1236 3.85,1238 5.187,1239 2.398,1240 6.718,1241 4.844,1242 8.34,1243 7.034,1244 10.01,1246 3.633,1250 11.559,1254 5.234,1255 1.584,1262 23.643,1263 62.601,1264 138.998,1265 160.608,1266 172.608,1267 172.608,1268 172.608,1269 25.582,1270 6.852,1271 102.84,1272 128.14,1273 17,1274 12.38,1275 4.087,1276 3.17,1277 32.17,1278 64,1279 66,1280 0.253,1281 151.49,1282 244.8,1283 361.395,1284 7590,1286 14.983,1287 0.713,1288 0.595,1289 15.336,1290 12.492,1291 10.08,1292 0.438,1293 0.31,1294 6.278,1295 9.205,1296 5.991,1297 5.018,1298 10.488,1299 7.13,1300 9.289,1301 0.281,1302 0.171,1303 9.958,1304 5.635,1305 7.742,1306 0.176,1307 0.097,1308 8.514,1309 4.265,1310 6.871,1311 0.115,1312 0.052,1313 7.724,1314 3.116,1315 5.034,1316 0.071,1317 0.03,1318 5.963,1319 2.132,1320 0.387,1321 67.478,1322 0.258,1323 20.552,1324 0.72,1325 112,1326 328.844,1327 149.55,1328 343.654,1329 478.74,1330 322,1331 133,1332 348.866,1333 165.365,1334 371.755,1335 543.76,1336 348,1337 5.688}
{0 CHEMBL13673,1 1.659,2 11.37,3 2.025,4 4.102,5 101.649,6 7.382,7 0.429,8 4.027,9 4.144,10 3.548,11 3.426,12 5.236,13 3.442,14 4.528,15 4.7,16 3.853,17 3.759,18 5.75,19 3.749,20 4.702,21 4.878,22 3.93,23 3.898,24 5.831,25 3.871,26 4.806,27 5.007,28 3.91,29 3.94,30 5.908,31 3.889,32 4.874,33 5.077,34 3.828,35 3.944,36 5.908,37 3.885,38 4.822,39 5.028,40 3.798,41 3.922,42 5.898,43 3.843,44 4.855,45 5.111,46 3.807,47 3.892,48 5.822,49 3.794,50 4.765,51 4.993,52 3.759,53 3.824,54 5.815,55 3.748,56 0.153,57 0.705,58 11.004,59 4.261,60 19.624,61 5.678,62 0.547,63 1.009,64 20.552,65 7.093,66 62.823,67 9.424,68 0.661,69 1.175,70 24.584,71 7.883,72 59.624,73 11.076,74 0.657,75 1.241,76 27.837,77 8.897,78 69.321,79 12.572,80 0.836,81 1.236,82 31.098,83 9.058,84 77.102,85 12.663,86 0.798,87 1.222,88 28.848,89 8.842,90 78.271,91 12.75,92 0.776,93 1.184,94 31.161,95 9.569,96 65.389,97 14.409,98 0.639,99 1.123,100 27.618,101 8.353,102 56.084,103 12.435,104 51,105 37,106 0.282,107 0.637,108 0.806,109 0.846,110 0.859,111 0.886,112 3.339,113 0.901,114 -2.72,115 -2.74,116 -2.66,119 35.3,121 4,124 2,125 1,139 2,140 2,141 3,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 6,167 1,169 1,170 6,172 3,173 4,175 2,178 5,179 1,180 1,181 2,182 8,187 2,189 2,190 1,191 1,192 1,193 9,195 1,196 1,197 1,198 3,200 2,201 1,204 2,205 1,207 8,208 1,212 3,215 2,218 3,220 1,221 3,224 1,226 1,229 4,231 1,233 4,234 2,236 2,237 2,239 2,241 4,242 1,243 2,245 2,246 2,247 1,248 1,249 1,251 1,254 3,255 1,259 1,260 3,261 1,262 2,263 3,265 2,268 1,269 2,270 1,273 1254,274 17.947,275 17.947,276 17.947,277 17.947,278 17.947,279 16.187,280 26.141,281 10.77,282 18.601,283 13.697,284 13.697,285 13.697,286 13.697,287 13.697,288 10.922,289 33.208,290 4.967,291 14.558,292 4.014,293 1.927,294 0.932,295 0.696,296 0.618,297 0.461,298 4.003,300 1,301 1,302 1,303 620,304 3.808,307 199.188,314 1.819,315 35.466,317 1,318 1,319 0.67,320 0.83,321 1,322 1,323 0.83,324 0.5,325 0.83,326 61,327 307,328 4.431,329 3.596,330 6.528,331 4.026,332 3.076,333 4.114,334 2.341,335 10.289,336 2.927,337 4.228,338 3.393,339 6.088,340 3.81,341 2.856,342 3.875,343 0.86,344 8.842,345 2.72,346 3.6,347 3.078,348 5.281,349 3.242,350 2.28,351 2.934,352 0.86,353 6.715,354 2.221,355 3.55,356 2.609,357 5.209,358 3.23,359 2.237,360 2.711,361 0.86,362 6.231,363 2.165,364 3.373,365 2.537,366 4.921,367 3.008,368 2.097,369 2.663,370 0.68,371 5.65,372 1.896,373 3.362,374 2.184,375 4.659,376 2.939,377 1.999,378 2.617,380 5.182,381 1.868,382 2.823,383 2.048,384 4.148,385 2.538,386 1.573,387 1.952,389 3.675,390 1.51,391 2.652,392 1.671,393 3.879,394 2.352,395 1.421,396 1.648,398 3.305,399 1.32,400 2.188,401 1.535,402 3.541,403 1.976,404 1.116,405 1.168,407 2.41,408 0.949,409 1.823,410 1.201,411 3.035,412 1.626,413 0.692,414 0.749,415 1.432,416 0.636,417 1.611,418 0.978,419 2.934,420 1.322,421 0.414,422 0.474,423 0.843,424 0.37,425 1.462,426 0.627,427 2.678,428 1.179,429 0.294,430 0.335,431 0.458,432 0.26,433 1.091,434 0.618,435 2.411,436 0.866,437 -0.07,438 -0.076,439 -0.14,440 -0.064,441 0.941,442 0.269,443 2.359,444 0.623,445 -0.317,446 -0.375,448 -0.669,449 -0.294,450 0.796,451 0.074,452 2.304,453 0.393,454 -0.514,455 -0.621,457 -1.242,458 -0.466,459 12.267,460 0.454,461 0.647,462 0.024,463 33.5,464 1.241,465 16,466 0.593,467 17.5,468 0.648,469 22.343,470 0.828,471 31.533,472 0.618,473 26.656,474 0.987,475 6.887,476 0.255,477 6.052,478 0.224,479 0.201,481 0.326,485 0.965,486 1.419,487 0.845,488 1.258,489 0.915,490 1.042,491 0.968,492 0.927,493 0.83,494 0.975,495 0.529,496 0.896,497 1.006,498 1.18,499 0.985,500 1.107,501 0.973,502 1.05,503 0.959,504 1.077,505 1.019,506 1.163,507 0.846,508 1.112,509 1.429,510 0.991,511 1.209,512 0.994,513 0.996,514 1.053,515 1.018,516 1.131,517 1.153,518 1.165,519 0.84,520 1.193,521 0.596,522 0.909,523 0.739,524 0.956,525 0.353,526 0.91,527 0.852,528 1.156,529 0.931,530 1.142,531 0.623,532 1.081,533 6,534 0.14,535 2.667,536 1.938,537 1.618,538 0.729,539 0.649,540 0.464,541 0.32,542 0.307,543 8080,544 27453,545 1.933,546 47.1,547 4,548 10,550 1,551 5,552 2,553 2,555 1.704,556 1.78,557 3.45,558 2.584,559 1,560 1,564 84.586,565 1.659,566 3.746,567 4.741,568 4.976,569 5.055,570 5.211,571 2.936,572 4.459,573 4.718,574 3.64,575 1277.61,576 8.213,577 16901.6,579 1,581 1,582 289.294,583 1.51,584 4.664,585 0.214,586 0.007,587 0.072,588 0.05,589 0.044,590 0.021,591 0.02,592 0.014,593 0.01,594 0.012,595 0.465,596 0.17,597 1,598 1.891,599 135.044,600 -0.133,601 -0.101,602 0.01,603 -0.06,604 -0.142,605 0.01,606 0.034,607 0.186,608 0.108,609 0.114,610 0.201,611 0.118,612 -0.021,613 -0.078,614 -0.049,615 -0.029,616 -0.107,617 -0.041,618 -0.037,619 -0.017,620 -0.077,621 -0.115,622 -0.062,623 -0.104,624 -0.292,625 -0.016,626 -0.221,627 0.02,628 -0.201,629 -0.072,630 -0.056,631 -0.109,632 -0.2,633 -0.128,634 -0.068,635 -0.19,636 0.205,637 0.008,638 0.226,639 0.053,640 0.176,641 0.121,642 0.032,643 -0.18,644 0.027,645 -0.121,646 0.052,647 -0.067,648 2.487,649 3.578,650 0.444,651 29.16,652 1.017,653 1.141,654 1.492,655 2.227,656 0.626,657 3.367,658 3.638,659 3.829,660 4.043,661 4.22,662 4.234,663 4.304,664 4.394,665 4.454,666 4.431,667 6.744,668 0.606,669 376.46,670 3.367,671 4.875,672 5.687,673 6.541,674 7.377,675 8.239,676 9.087,677 9.954,678 10.81,679 11.679,680 7.8,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 3,718 51,719 13,720 1,721 28,723 52,724 18,725 10,726 4,727 2,729 2,730 2,739 4,741 11,742 7,744 1,748 1,751 1,753 1,754 1,757 24,758 9,759 5,760 9,764 4,769 1,770 5,776 1,781 2,792 1,800 1,802 2,806 2,810 27,811 2,815 1,816 5,818 3,829 9.8,831 1,832 1,834 3,836 15.167,837 9.433,838 6.25,839 2.746,840 2.283,841 1.334,842 0.908,843 7.941,844 9.108,845 3.584,846 4.127,847 4.6,848 5.112,849 5.607,850 5.743,851 5.963,852 6.311,853 6.65,854 6.906,855 0.875,856 39,857 9.911,859 4.009,860 8.031,861 18.359,863 14.004,865 2.531,866 68.333,870 223.651,871 91.735,872 99.365,874 100.828,877 91.735,878 324.479,879 99.365,880 21.766,881 14.731,882 84.747,883 114.08,884 64.149,885 4.227,886 211.88,888 223.651,889 191.1,890 100.828,893 200.109,894 124.37,897 25.677,898 131.852,899 33.571,901 223.651,902 200.193,903 91.735,906 223.651,907 41.969,908 49.766,910 200.193,911 223.651,912 200.193,913 91.735,915 0.564,916 0.319,917 0.171,918 0.091,919 14,920 8,921 0.192,922 10,924 1,925 3.798,926 210.89,928 12,929 128.382,933 21.058,934 10.182,935 6.149,937 200.193,938 5.237,939 7.933,943 3.531,945 108.478,946 515.579,947 35,951 10.578,954 -0.82,956 51.88,957 58.192,958 0.292,959 0.66,960 0.836,961 0.877,962 0.891,963 0.919,964 4.796,965 1.421,966 5.659,967 3.675,968 4.317,969 4.812,970 2.703,971 6.422,972 4.206,973 5.985,974 1.116,975 7.192,976 3.305,977 3.892,978 4.677,979 2.243,980 7.261,981 3.747,982 7.281,983 0.692,984 8.824,985 2.41,986 5.861,987 6.957,988 3.722,989 10.321,990 5.659,991 8.612,992 0.414,993 10.514,994 1.432,995 6.217,996 7.587,997 4.112,998 11.981,999 5.968,1000 9.972,1001 0.294,1002 12.242,1003 0.843,1004 7.674,1005 9.395,1006 5.216,1007 14.573,1008 7.384,1009 11.352,1010 -0.07,1011 13.997,1012 0.458,1013 8.411,1014 10.387,1015 5.889,1016 16.594,1017 8.065,1018 12.75,1019 -0.317,1020 15.773,1021 -0.14,1022 9.656,1023 11.995,1024 6.851,1025 19.015,1026 9.273,1027 3.076,1028 -0.514,1029 17.564,1030 -0.669,1031 10.585,1032 13.175,1033 7.625,1034 21.198,1035 10.143,1036 2.856,1037 10.289,1038 19.368,1039 -1.242,1040 11.742,1041 14.685,1042 8.526,1043 23.555,1044 11.261,1045 2.28,1046 8.842,1047 21.182,1048 4.114,1049 12.764,1050 15.965,1051 9.342,1052 25.81,1053 12.224,1054 2.237,1055 6.715,1056 23.005,1057 3.875,1058 13.887,1059 17.423,1060 10.216,1061 28.143,1062 13.305,1063 2.097,1064 6.231,1065 24.835,1066 2.934,1067 14.953,1068 18.757,1069 11.051,1070 30.433,1071 14.315,1072 1.999,1073 5.65,1074 26.671,1075 2.711,1076 16.063,1077 20.189,1078 11.912,1079 32.757,1080 15.381,1081 1.573,1082 5.182,1083 28.512,1084 2.663,1085 17.151,1086 21.553,1087 12.755,1088 35.063,1089 16.415,1090 8323,1091 15434,1092 17.8,1093 31.909,1094 40.208,1095 41.692,1096 42.371,1097 40.037,1098 40.109,1099 50.477,1100 11.202,1101 110.068,1102 37.686,1103 5.344,1104 5.596,1105 6.297,1106 5.095,1107 5.076,1108 7.114,1109 3.925,1110 17.223,1111 4.927,1112 16.962,1113 1.436,1114 1.489,1115 1.513,1116 1.43,1117 1.432,1118 1.803,1119 0.4,1120 3.931,1121 1.346,1122 3.994,1123 4.018,1124 3.951,1125 3.895,1126 7.474,1127 3.905,1128 3.817,1129 3.858,1130 3.783,1131 3.648,1132 6.351,1133 3.676,1134 3.716,1135 3.761,1136 3.592,1137 3.562,1138 5.291,1139 3.557,1140 3.389,1141 3.414,1142 3.278,1143 3.133,1144 4.982,1145 3.159,1146 3.318,1147 3.377,1148 3.192,1149 3.074,1150 4.958,1151 3.096,1152 3.241,1153 3.307,1154 3.05,1155 2.942,1156 4.553,1157 2.952,1158 3.118,1159 3.219,1160 2.961,1161 2.851,1162 4.47,1163 2.861,1164 2.986,1165 3.09,1166 2.825,1167 2.677,1168 4.436,1169 2.7,1170 0.158,1171 0.128,1172 0.233,1173 0.144,1174 0.11,1175 4.431,1176 0.147,1177 3.596,1178 0.084,1179 6.528,1180 0.367,1181 4.026,1182 0.105,1183 3.076,1184 4.114,1185 2.341,1186 10.289,1187 2.927,1188 1.929,1189 1.912,1190 2.02,1191 2.052,1192 1.281,1193 2.04,1194 1.738,1195 1.697,1196 1.944,1197 1.937,1198 1.204,1199 1.923,1200 1.689,1201 1.64,1202 1.802,1203 1.873,1204 0.871,1205 1.87,1206 1.292,1207 1.255,1208 1.577,1209 1.583,1210 0.763,1211 1.567,1212 1.247,1213 1.187,1214 1.573,1215 1.539,1216 0.574,1217 1.549,1218 1.184,1219 1.107,1220 1.542,1221 1.515,1222 0.571,1223 1.528,1224 1.061,1225 0.974,1226 1.338,1227 1.383,1228 0.359,1229 1.378,1230 0.887,1231 0.796,1232 1.219,1233 1.262,1234 0.217,1235 1.265,1236 4.043,1238 5.323,1240 6.792,1242 8.361,1244 9.986,1246 3.069,1250 11.437,1251 8.691,1252 2.083,1254 16.595,1262 30.928,1263 84.586,1264 191.029,1265 241.784,1266 253.784,1267 257.784,1268 265.784,1269 66.565,1270 6.825,1271 142.81,1272 142.81,1273 12,1274 12.226,1275 3.807,1276 3,1277 58.26,1278 106,1279 121,1280 0.265,1281 195.312,1282 342.91,1283 468.322,1284 7480,1286 19.811,1287 0.734,1288 0.57,1289 19.811,1290 15.397,1291 12.939,1292 0.462,1293 0.3,1294 8.209,1295 12.15,1296 7.99,1297 6.679,1298 12.939,1299 8.406,1300 11.261,1301 0.304,1302 0.158,1303 11.261,1304 5.844,1305 8.581,1306 0.191,1307 0.086,1308 8.581,1309 3.858,1310 6.99,1311 0.125,1312 0.045,1313 6.99,1314 2.544,1315 5.378,1316 0.08,1317 0.025,1318 5.378,1319 1.672,1320 0.417,1321 83.368,1322 0.237,1323 26.146,1324 0.725,1325 130,1326 479.007,1327 149.778,1328 445,1329 586.21,1330 414,1331 147,1332 411.184,1333 165.174,1334 413.348,1335 593.64,1336 383,1337 4.569}
{0 CHEMBL137844,1 1.763,2 9.905,3 2.874,4 8.26,5 85.393,6 8.806,7 0.739,8 3.662,9 3.777,10 3.417,11 3.242,12 4.904,13 3.22,14 4.092,15 4.235,16 3.809,17 3.588,18 5.337,19 3.544,20 4.226,21 4.384,22 3.828,23 3.688,24 5.426,25 3.612,26 4.19,27 4.357,28 3.643,29 3.605,30 5.373,31 3.5,32 4.204,33 4.428,34 3.565,35 3.486,36 5.313,37 3.376,38 4.08,39 4.337,40 3.226,41 3.353,42 4.999,43 3.198,44 3.792,45 3.986,46 3.178,47 3.147,48 4.877,49 3.052,50 3.71,51 3.896,52 3.004,53 2.977,54 4.892,55 2.934,56 0.078,57 0.56,58 5.745,59 2.78,60 10.858,61 3.004,62 0.23,63 0.843,64 11.382,65 4.824,66 21.186,67 5.33,68 0.269,69 0.971,70 15.822,71 5.826,72 22.997,73 5.926,74 0.206,75 0.907,76 14.974,77 5.896,78 22.024,79 6.392,80 0.26,81 0.883,82 16.021,83 5.104,84 28.744,85 6.474,86 0.197,87 0.718,88 16.581,89 5.678,90 22.434,91 7.075,92 0.141,93 0.568,94 12.262,95 4.227,96 11.491,97 5.045,98 0.14,99 0.524,100 9.112,101 3.003,102 14.602,103 3.314,104 11,105 32,106 0.322,107 0.647,108 0.756,109 0.839,110 0.839,111 0.839,112 3.103,113 0.911,114 -3.6,115 -3.58,116 -3.41,119 41.2,124 1,139 6,141 2,143 2,144 2,147 1,157 2,158 2,159 2,166 3,169 1,170 5,172 3,173 3,178 5,181 2,182 4,184 1,185 1,189 5,193 3,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,207 6,209 1,210 1,212 3,215 4,218 3,229 2,233 1,234 5,239 3,243 3,246 5,251 2,256 2,265 2,270 2,273 538,274 14.196,275 14.196,276 14.196,277 14.196,278 14.196,279 12.136,280 14.131,281 8.292,282 14.799,283 11.299,284 11.299,285 11.299,286 11.299,287 11.299,288 8.187,289 14.524,290 3.898,291 12.246,292 3.324,293 1.545,294 0.949,295 0.493,296 0.493,297 0.493,298 3.785,300 1,301 1,302 1,303 446,304 2.345,307 168.91,311 88.91,314 1.442,315 17.106,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 45.5,327 208,328 4.542,329 4.554,330 6.503,331 4.028,332 3.081,333 4.492,334 2.95,335 10.179,336 2.918,337 4.06,338 3.201,339 5.598,340 3.612,341 2.689,342 3.653,343 0.86,344 7.723,345 2.488,346 3.765,347 2.978,348 5.302,349 3.303,350 2.404,351 3.229,353 6.825,354 2.138,355 3.483,356 2.762,357 5.066,358 3.037,359 2.128,360 2.811,362 6.043,363 1.919,364 3.423,365 2.216,366 5.033,367 2.945,368 2.006,369 2.808,371 5.796,372 1.878,373 3.264,374 2.061,375 4.865,376 2.786,377 1.859,378 2.557,380 5.487,381 1.709,382 2.5,383 1.326,384 3.709,385 2,386 1.007,387 1.5,389 2.565,390 1,391 2.452,392 1.061,393 3.414,394 1.954,395 1,396 1.432,398 2.275,399 0.95,400 1.778,401 1,402 3.089,403 1.459,404 0.608,405 0.684,407 1.12,408 0.51,409 1.516,410 0.878,411 2.736,412 1.1,413 0.222,414 0.276,415 0.475,416 0.192,417 1.082,418 0.541,419 2.616,420 0.674,421 -0.21,422 -0.262,423 -0.463,424 -0.183,425 0.956,426 -0.14,427 2.496,428 0.47,429 -0.448,430 -0.577,431 -1.147,432 -0.409,433 0.64,434 -0.306,435 2.226,436 0.194,437 -0.71,438 -0.877,439 -1.689,440 -0.627,441 0.5,442 -0.515,443 2,444 0.132,445 -0.815,446 -1.104,448 -2.276,449 -0.771,450 0.493,451 -0.727,452 1.728,454 -1,455 -1.405,457 -2.885,458 -0.981,459 10.167,460 0.484,461 0.52,462 0.025,463 32,464 1.524,465 18,466 0.857,467 14,468 0.667,469 12.476,470 0.594,471 21.633,472 0.636,473 20.784,474 0.99,475 6.333,476 0.302,477 3.819,478 0.182,479 0.128,481 0.344,485 1.07,486 1.106,487 0.726,488 0.803,489 1.304,490 0.756,491 0.969,492 0.91,493 0.745,494 0.829,495 0.616,496 0.752,497 1.159,498 0.975,499 1.289,500 1.082,501 0.919,502 0.935,503 0.948,504 1.222,505 1.328,506 1.321,507 0.828,508 1.239,509 0.746,510 1.065,511 0.938,512 1.103,513 1.155,514 1.105,515 0.675,516 0.807,517 1.011,518 0.94,519 0.808,520 0.92,521 0.551,522 1.235,523 1.173,524 1.375,525 0.462,526 1.091,527 1.447,528 1.308,529 1.224,530 1.204,531 1.245,532 1.148,533 5,534 0.062,535 2,536 1.313,537 1.4,538 0.361,539 0.464,540 0.217,541 0.135,542 0.164,543 4483,544 13919,545 2.074,546 38.2,548 9,551 4,555 1.627,556 1.938,557 3.261,558 1.968,560 1,562 1,564 59.955,565 1.763,566 3.542,567 4.139,568 4.595,569 4.595,570 4.595,571 2.737,572 3.88,573 4.362,574 3.373,575 708.259,576 7.452,577 7481.74,578 1,579 1,580 1,581 1,582 172.974,583 1.418,584 4.322,585 0.217,586 0.008,587 0.063,588 0.041,589 0.054,590 0.017,591 0.027,592 0.013,593 0.009,594 0.015,595 0.464,596 0.5,597 1,598 0.819,599 95.338,600 -0.193,601 0.001,602 0.031,603 0.097,604 -0.363,605 0.082,606 0.102,607 0.139,608 0.185,609 0.164,610 0.211,611 0.149,612 -0.14,613 0.135,614 -0.153,615 0.025,616 -0.057,617 -0.025,618 -0.09,619 -0.18,620 -0.252,621 -0.237,622 0.043,623 -0.289,624 0.02,625 -0.081,626 0.053,627 -0.129,628 -0.148,629 -0.119,630 0.002,631 0.085,632 0.086,633 0.129,634 -0.024,635 0.18,636 0.233,637 -0.288,638 -0.033,639 -0.244,640 0.299,641 -0.044,642 -0.307,643 -0.297,644 -0.328,645 -0.306,646 -0.185,647 -0.259,648 1.516,649 1.838,650 0.762,651 16.268,652 1.013,653 1.126,654 2.374,655 5.636,656 0.711,657 3.178,658 3.497,659 3.738,660 3.989,661 4.234,662 4.234,663 4.317,664 4.382,665 4.489,666 4.466,667 5.58,668 0.68,669 299.39,670 3.178,671 4.71,672 5.549,673 6.422,674 7.277,675 8.153,676 9.015,677 9.892,678 10.759,679 11.636,680 14.7,684 2,690 3,694 2,695 6,696 3,700 5,702 17,711 2,716 1,718 34,719 17,720 1,721 23,723 36,724 14,725 13,726 2,727 4,729 3,730 4,741 13,742 1,753 1,754 1,757 13,758 6,759 4,760 7,761 1,764 5,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,803 1,804 1,806 1,810 21,811 2,818 1,819 1,829 2.9,834 1,836 10.833,837 6.35,838 4.639,839 1.717,840 3.353,841 1.489,842 1.014,843 3.816,844 10.207,845 3.481,846 4.143,847 4.751,848 5.369,849 5.981,850 6.222,851 6.602,852 7.003,853 7.443,854 7.593,855 0.857,856 32,857 7.657,859 3.189,860 7.786,861 14.377,863 11.38,865 2.286,866 48,870 105.94,871 116.391,872 116.151,874 11,876 32.22,877 84.172,878 116.94,879 116.151,880 10.883,882 122.652,883 50.357,884 22.082,885 5.349,886 138.159,888 105.94,889 200.323,890 11,891 32.22,893 105.94,894 11,897 6.187,898 143.779,899 50.357,900 32.22,901 105.94,902 127.151,903 116.391,906 105.94,907 48.651,908 67.741,910 127.151,911 105.94,912 127.151,913 116.391,915 0.581,916 0.337,917 0.18,918 0.101,919 16,920 7,921 0.083,922 3,923 1,924 1.125,925 3.369,926 158.964,927 0.125,928 16,929 88.239,930 1,933 13.922,934 5.756,935 3.014,936 1.196,937 127.151,938 11.464,939 12.514,943 3.122,945 65.794,946 349.482,947 31.5,956 34.447,957 38.282,958 0.347,959 0.696,960 0.813,961 0.903,962 0.903,963 0.903,964 4.694,965 1,966 5.533,967 2.565,968 4.174,969 4.828,970 2.99,971 6.315,972 4.023,973 5.923,974 0.608,975 7.074,976 2.275,977 3.761,978 4.691,980 7.125,981 3.521,982 7.238,983 0.222,984 8.706,985 1.12,986 5.746,987 7.11,988 5.034,989 10.189,990 5.456,991 8.587,992 -0.21,993 10.39,994 0.475,995 6.089,996 7.754,998 11.792,999 5.713,1000 9.963,1001 -0.448,1002 12.108,1003 -0.463,1004 7.566,1005 9.664,1006 7.185,1007 14.389,1008 7.156,1009 11.359,1010 -0.71,1011 13.849,1012 -1.147,1013 8.281,1014 10.711,1016 16.371,1017 7.796,1018 12.771,1019 -0.815,1020 15.61,1021 -1.689,1022 9.541,1023 12.395,1024 9.348,1025 18.795,1026 9.024,1027 3.081,1028 -1,1029 17.386,1030 -2.276,1031 10.452,1032 13.662,1034 20.961,1035 9.87,1036 2.689,1037 10.179,1038 19.176,1039 -2.885,1040 11.618,1041 15.24,1042 11.511,1043 23.319,1044 11.001,1045 2.404,1046 7.723,1047 20.977,1048 4.492,1049 12.629,1050 16.623,1052 25.569,1053 11.953,1054 2.128,1055 6.825,1056 22.789,1057 3.653,1058 13.758,1059 18.154,1060 13.675,1061 27.903,1062 13.042,1063 2.006,1064 6.043,1065 24.61,1066 3.229,1067 14.82,1068 19.596,1070 30.191,1071 14.049,1072 1.859,1073 5.796,1074 26.439,1075 2.811,1076 15.936,1077 21.107,1078 15.838,1079 32.515,1080 15.122,1081 1.007,1082 5.487,1083 28.274,1084 2.808,1085 17.024,1086 22.579,1088 34.82,1089 16.157,1090 4379,1091 7844,1092 15.315,1093 24.176,1094 34.178,1095 37.098,1096 35.073,1097 34.012,1098 34.009,1099 46.879,1100 7.62,1101 96.972,1102 31.404,1103 5.3,1104 6.554,1105 6.055,1106 5.162,1107 5.081,1108 7.492,1109 5.9,1110 17.073,1111 4.918,1112 9.991,1113 1.486,1114 1.613,1115 1.525,1116 1.479,1117 1.479,1118 2.038,1119 0.331,1120 4.216,1121 1.365,1122 4.042,1123 4.081,1124 4.122,1125 3.947,1126 5.323,1127 3.944,1128 3.878,1129 3.898,1130 3.893,1131 3.807,1132 4.988,1133 3.805,1134 3.448,1135 3.508,1136 3.548,1137 3.301,1138 4.868,1139 3.295,1140 3.243,1141 3.306,1142 3.185,1143 3.006,1144 4.757,1145 2.998,1146 3.115,1147 3.229,1148 3.006,1149 2.833,1150 4.361,1151 2.858,1152 2.864,1153 2.925,1154 2.915,1155 2.763,1156 4.181,1157 2.719,1158 2.854,1159 2.916,1160 2.687,1161 2.735,1162 3.905,1163 2.715,1164 2.641,1165 2.744,1166 2.503,1167 2.466,1168 3.674,1169 2.467,1170 0.197,1171 0.198,1172 0.283,1173 0.175,1174 0.134,1175 4.542,1176 0.195,1177 4.554,1178 0.128,1179 6.503,1180 0.443,1181 4.028,1182 0.127,1183 3.081,1184 4.492,1185 2.95,1186 10.179,1187 2.918,1188 1.96,1189 1.932,1190 1.994,1191 2.1,1192 1.096,1193 2.076,1194 1.856,1195 1.835,1196 1.949,1197 1.948,1198 1.02,1199 1.956,1200 1.366,1201 1.316,1202 1.566,1203 1.588,1204 0.576,1205 1.578,1206 1.191,1207 1.121,1208 1.488,1209 1.497,1210 0.429,1211 1.518,1212 1.004,1213 0.908,1214 1.273,1215 1.383,1216 0.218,1217 1.364,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.129,1223 1.107,1224 0.831,1225 0.79,1226 0.953,1227 0.99,1229 1.014,1230 0.611,1231 0.54,1232 0.903,1233 0.895,1235 0.916,1236 3.85,1238 5.165,1240 6.681,1242 8.29,1244 9.947,1246 1.64,1250 11.404,1254 5.134,1255 1.525,1262 23.116,1263 59.955,1264 120.444,1265 140.709,1266 156.219,1267 156.219,1268 156.219,1269 24.671,1270 6.854,1271 99.94,1272 125.24,1273 18,1274 12.176,1275 4.17,1276 3.248,1277 32.368,1278 70,1279 77,1280 0.231,1281 148.562,1282 242.16,1283 354.252,1284 7934,1286 14.82,1287 0.706,1288 0.576,1289 15.173,1290 12.093,1291 10.152,1292 0.441,1293 0.304,1294 6.137,1295 9.262,1296 5.908,1297 4.928,1298 10.56,1299 6.988,1300 9.188,1301 0.287,1302 0.167,1303 9.883,1304 5.356,1305 7.577,1306 0.185,1307 0.092,1308 8.3,1309 3.787,1310 6.332,1311 0.119,1312 0.05,1313 7.066,1314 2.645,1315 5.148,1316 0.076,1317 0.028,1318 6.016,1319 1.899,1320 0.361,1321 67.913,1322 0.256,1323 20.909,1324 0.63,1325 110,1326 340.156,1327 147.495,1328 354.208,1329 490.73,1330 332,1331 128,1332 354.429,1333 158.778,1334 376.441,1335 548.21,1336 353,1337 7.125}
{0 CHEMBL137942,1 1.77,2 10.963,3 2.963,4 8.776,5 107.462,6 8.295,7 0.586,8 3.972,9 4.088,10 3.612,11 3.43,12 5.183,13 3.447,14 4.456,15 4.618,16 3.973,17 3.784,18 5.621,19 3.789,20 4.576,21 4.711,22 4.185,23 3.961,24 5.783,25 3.953,26 4.735,27 4.894,28 4.217,29 4.017,30 5.956,31 3.973,32 4.851,33 5.05,34 3.909,35 3.983,36 5.925,37 3.89,38 4.734,39 4.961,40 3.739,41 3.875,42 5.717,43 3.745,44 4.717,45 5.014,46 3.621,47 3.757,48 5.579,49 3.611,50 4.427,51 4.669,52 3.749,53 3.556,54 5.48,55 3.51,56 0.142,57 0.691,58 8.664,59 3.77,60 13.675,61 4.649,62 0.48,63 1.001,64 18.127,65 6.43,66 35.233,67 7.819,68 0.514,69 1.169,70 19.076,71 6.959,72 28.318,73 8.804,74 0.571,75 1.247,76 26.503,77 8.726,78 46.921,79 11.267,80 0.943,81 1.252,82 34.504,83 9.798,84 67.703,85 12.204,86 0.616,87 1.146,88 27.107,89 8.971,90 50.135,91 12.198,92 0.602,93 1.025,94 34.857,95 9.175,96 53.842,97 13.399,98 0.513,99 0.825,100 22.791,101 6.407,102 37.909,103 8.844,104 46,105 41,106 0.303,107 0.645,108 0.732,109 0.778,110 0.788,111 0.818,112 3.34,113 0.869,114 -3.2,115 -3.19,116 -3.06,119 38.3,124 3,125 1,139 4,140 2,141 5,143 1,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 5,172 3,173 3,175 3,178 3,180 1,181 2,182 5,187 5,189 2,192 1,193 6,195 1,196 1,197 1,198 4,200 2,201 2,204 4,205 1,207 1,210 4,211 1,212 2,214 1,215 5,218 2,224 1,226 1,229 6,231 1,234 4,238 1,239 1,240 1,243 1,246 11,251 2,256 2,260 3,265 1,270 1,273 1015,274 18.196,275 18.196,276 18.196,277 18.196,278 18.196,279 16.062,280 26.122,281 10.393,282 19.025,283 14.076,284 14.076,285 14.076,286 14.076,287 14.076,288 10.65,289 36.389,290 4.61,291 15.196,292 3.784,293 1.786,294 1.277,295 1.006,296 0.947,297 0.772,298 4.018,299 1,300 1,301 1,302 1,303 621,304 3.162,307 237.221,311 125.42,314 1.525,315 28.91,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 59.833,327 296,328 4.654,329 3.416,330 6.835,331 4.162,332 3.212,333 4.616,334 0.86,335 11.231,336 3.038,337 4.42,338 3.375,339 6.523,340 4.007,341 3.061,342 4.104,343 0.86,344 10.257,345 2.894,346 3.91,347 2.781,348 5.804,349 3.481,350 2.555,351 3.412,352 0.86,353 7.875,354 2.359,355 3.565,356 2.589,357 5.289,358 3.216,359 2.255,360 2.883,361 0.657,362 6.728,363 2.153,364 3.452,365 2.555,366 5.19,367 2.978,368 2.061,369 2.859,371 6.118,372 1.907,373 3.372,374 2.172,375 5.095,376 2.972,377 2.038,378 2.694,380 5.902,381 1.867,382 3.355,383 2.062,384 5.006,385 2.911,386 1.97,387 2.604,389 5.788,390 1.844,391 2.707,392 1.975,393 4.248,394 2.247,395 1.365,396 1.778,398 3.553,399 1.148,400 2.246,401 1.827,402 3.809,403 2.012,404 1.17,405 1.23,407 2.537,408 0.979,409 1.968,410 1.104,411 3.31,412 1.698,413 0.786,414 0.901,415 1.744,416 0.705,417 1.576,418 0.919,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.446,426 0.916,427 2.838,428 1.171,429 0.328,430 0.352,431 0.445,432 0.273,433 1.334,434 0.513,435 2.809,436 0.973,437 0.054,438 0.067,439 0.12,440 0.047,441 1.188,442 0.203,443 2.594,444 0.716,445 -0.116,446 -0.142,448 -0.3,449 -0.084,450 0.936,451 0.046,452 2.486,453 0.524,454 -0.398,455 -0.493,457 -0.81,458 -0.361,459 12.714,460 0.471,461 0.695,462 0.026,463 37.25,464 1.38,465 19,466 0.704,467 18.25,468 0.676,469 20.965,470 0.776,471 29.886,472 0.636,473 29.032,474 1.075,475 7.738,476 0.287,477 5.239,478 0.194,479 0.237,481 0.393,485 0.992,486 1.349,487 0.656,488 1.031,489 1.104,490 0.888,491 1.233,492 0.807,493 0.664,494 0.643,495 0.818,496 0.628,497 0.897,498 1.289,499 0.823,500 1.014,501 0.853,502 0.94,503 0.86,504 1.344,505 1.088,506 1.36,507 0.738,508 1.224,509 1.485,510 0.868,511 1.444,512 1.072,513 1.402,514 1.184,515 0.948,516 1.089,517 0.988,518 1.12,519 0.924,520 1.229,521 0.721,522 0.654,523 0.975,524 0.79,525 0.762,526 0.777,527 0.768,528 0.845,529 0.603,530 0.783,531 0.588,532 0.668,533 6,534 0.206,535 3.333,536 2.75,537 2.333,538 0.882,539 0.384,540 0.451,541 0.283,542 0.298,543 8309,544 27047,545 1.992,546 42.6,548 15,551 5,555 1.7,556 1.82,557 3.389,558 2.584,559 1,560 1,564 83.204,565 1.77,566 3.769,567 4.277,568 4.549,569 4.607,570 4.783,571 2.834,572 4.282,573 4.731,574 3.549,575 1245.77,576 8.205,577 16015.3,579 1,581 1,582 261.066,583 1.541,584 4.659,585 0.207,586 0.009,587 0.081,588 0.059,589 0.053,590 0.027,591 0.015,592 0.018,593 0.01,594 0.011,595 0.49,596 0.17,597 1,598 1.011,599 133.844,600 -0.148,601 -0.105,602 0.009,603 -0.038,604 -0.242,605 0.027,606 -0.12,607 0.273,608 0.141,609 0.334,610 0.056,611 0.304,612 0.067,613 -0.126,614 0.052,615 -0.006,616 -0.006,617 -0.012,618 0.102,619 -0.276,620 -0.033,621 -0.32,622 0.2,623 -0.253,624 -0.259,625 0.079,626 -0.353,627 -0.075,628 -0.316,629 -0.227,630 -0.083,631 -0.141,632 -0.113,633 -0.132,634 -0.108,635 -0.221,636 0.032,637 0.177,638 0.163,639 0.214,640 0.074,641 0.3,642 0.175,643 0.056,644 0.386,645 0.204,646 0.29,647 0.355,648 1.561,649 2.386,650 0.593,651 22.733,652 1.019,653 1.136,654 1.966,655 3.866,656 0.667,657 3.401,658 3.738,659 4.043,660 4.317,661 4.5,662 4.533,663 4.543,664 4.625,665 4.71,666 4.771,667 6.429,668 0.645,669 389.88,670 3.401,671 4.949,672 5.814,673 6.708,674 7.587,675 8.484,676 9.367,677 10.264,678 11.149,679 12.046,680 10.6,684 2,685 1,690 2,694 2,695 4,696 2,700 8,702 17,711 2,712 1,716 3,717 1,718 47,719 17,720 2,721 29,723 49,724 18,725 14,726 8,727 4,729 3,730 4,731 1,741 14,742 4,754 1,757 20,758 8,759 5,760 9,761 1,764 5,769 0.667,770 3,776 1,781 3,785 1,802 2,806 3,807 1,810 27,811 2,816 1,817 1,818 3,828 1,829 6.4,834 3,836 14.833,837 9.293,838 6.167,839 2.326,840 3.389,841 1.462,842 0.974,843 5.987,844 10.723,845 3.651,846 4.317,847 4.963,848 5.577,849 6.129,850 6.408,851 6.678,852 7.006,853 7.379,854 7.537,855 1,856 47,857 9.871,859 4.078,860 7.844,861 18.396,863 14.347,865 2.344,866 63.278,869 1,870 176.567,871 106.777,872 117.376,873 39.149,874 33,877 106.777,878 248.715,879 117.376,880 32.649,881 2.106,882 103.699,883 51.582,884 62.89,885 4.227,886 176.567,887 39.149,888 176.567,889 224.153,890 33,891 39.149,893 176.567,894 33,897 6.149,898 166.423,899 90.73,901 176.567,902 150.376,903 145.926,906 176.567,907 36.223,908 70.554,909 18.011,910 171.514,911 176.567,912 150.376,913 145.926,915 0.578,916 0.365,917 0.208,918 0.107,919 19,920 10,921 0.122,922 6,923 1,924 1.125,925 3.724,926 228.859,927 0.125,928 16,929 120.382,933 19.601,934 8.247,935 3.924,936 1.143,937 150.376,938 7.324,939 8.12,943 4.068,945 83.805,946 472.868,947 37.5,956 47.883,957 53.385,958 0.319,959 0.679,960 0.77,961 0.819,962 0.829,963 0.861,964 4.892,965 1.365,966 5.82,967 5.788,968 4.419,969 5.004,970 1.841,971 6.673,972 4.276,973 6.132,974 1.17,975 7.412,976 3.553,977 4.111,978 5.007,980 7.67,981 3.909,982 7.471,983 0.786,984 9.101,985 2.537,986 6.057,987 7.323,988 1.538,989 10.778,990 5.811,991 8.849,992 0.396,993 10.846,994 1.744,995 6.538,996 8.113,998 12.575,999 6.219,1000 10.256,1001 0.328,1002 12.627,1003 0.603,1004 7.978,1005 9.943,1006 1.278,1007 15.224,1008 7.629,1009 11.684,1010 0.054,1011 14.433,1012 0.445,1013 8.823,1014 11.105,1016 17.364,1017 8.399,1018 13.129,1019 -0.116,1020 16.257,1021 0.12,1022 10.074,1023 12.745,1024 1.053,1025 19.854,1026 9.617,1027 3.212,1028 -0.398,1029 18.097,1030 -0.3,1031 11.087,1032 14.09,1034 22.142,1035 10.56,1036 3.061,1037 11.231,1038 19.949,1039 -0.81,1040 12.268,1041 15.651,1042 0.858,1043 24.574,1044 11.701,1045 2.555,1046 10.257,1047 21.811,1048 4.616,1049 13.357,1050 17.085,1052 26.925,1053 12.726,1054 2.255,1055 7.875,1056 23.68,1057 4.104,1058 14.514,1059 18.615,1060 0.691,1061 29.335,1062 13.836,1063 2.061,1064 6.728,1065 25.557,1066 3.412,1067 15.636,1068 20.091,1070 31.714,1071 14.898,1072 2.038,1073 6.118,1074 27.439,1075 2.883,1076 16.786,1077 21.611,1078 0.549,1079 34.118,1080 15.998,1081 1.97,1082 5.902,1083 29.326,1084 2.859,1085 17.924,1086 23.108,1088 36.51,1089 17.078,1090 8238,1091 14994,1092 18.611,1093 31.341,1094 42.386,1095 44.339,1096 45.749,1097 42.526,1098 42.501,1099 55.903,1100 6.475,1101 125.8,1102 39.115,1103 5.49,1104 5.416,1105 6.378,1106 5.234,1107 5.212,1108 7.616,1109 1.72,1110 18.467,1111 5.038,1112 16.525,1113 1.462,1114 1.529,1115 1.578,1116 1.466,1117 1.466,1118 1.928,1119 0.223,1120 4.338,1121 1.349,1122 4.077,1123 4.107,1124 4.135,1125 3.988,1126 5.316,1127 3.997,1128 3.936,1129 3.947,1130 3.902,1131 3.842,1132 4.992,1133 3.853,1134 3.53,1135 3.596,1136 3.582,1137 3.314,1138 4.972,1139 3.346,1140 3.32,1141 3.38,1142 3.312,1143 3.101,1144 4.85,1145 3.117,1146 3.303,1147 3.355,1148 3.182,1149 3.006,1150 4.58,1151 3.026,1152 3.209,1153 3.287,1154 3.144,1155 2.943,1156 4.466,1157 2.949,1158 3.137,1159 3.236,1160 2.983,1161 2.899,1162 4.441,1163 2.899,1164 3.044,1165 3.146,1166 2.923,1167 2.79,1168 4.294,1169 2.786,1170 0.16,1171 0.118,1172 0.236,1173 0.144,1174 0.111,1175 4.654,1176 0.159,1177 3.416,1178 0.03,1179 6.835,1180 0.387,1181 4.162,1182 0.105,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.038,1188 2.007,1189 1.984,1190 2.048,1191 2.119,1192 1.205,1193 2.103,1194 1.886,1195 1.875,1196 1.966,1197 2.007,1198 1.126,1199 1.992,1200 1.433,1201 1.373,1202 1.619,1203 1.693,1204 0.692,1205 1.67,1206 1.262,1207 1.204,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.568,1215 1.531,1216 0.57,1217 1.541,1218 1.165,1219 1.078,1220 1.512,1221 1.494,1222 0.521,1223 1.514,1224 1.059,1225 0.988,1226 1.356,1227 1.384,1228 0.389,1229 1.367,1230 1.012,1231 0.913,1232 1.278,1233 1.304,1234 0.123,1235 1.33,1236 4.078,1238 5.407,1240 6.95,1242 8.597,1244 10.298,1246 4.707,1247 6.498,1250 11.582,1252 0.47,1253 3.277,1254 16.089,1262 30.293,1263 83.204,1264 177.138,1265 201.027,1266 213.781,1267 216.536,1268 224.801,1269 46.551,1270 7.334,1271 117.54,1272 117.54,1273 18,1274 12.572,1275 4.17,1276 3.248,1277 47.089,1278 107,1279 93,1280 0.221,1281 192.126,1282 325.64,1283 460.548,1284 14587,1285 2.1,1286 19.552,1287 0.724,1288 0.59,1289 20.052,1290 15.924,1291 12.977,1292 0.447,1293 0.29,1294 7.856,1295 11.981,1296 7.557,1297 6.329,1298 13.266,1299 8.398,1300 11.411,1301 0.278,1302 0.148,1303 11.745,1304 6.053,1305 9.889,1306 0.177,1307 0.079,1308 10.317,1309 4.446,1310 8.675,1311 0.117,1312 0.042,1313 9.142,1314 3.125,1315 6.547,1316 0.074,1317 0.022,1318 6.77,1319 1.991,1320 0.347,1321 86.232,1322 0.232,1323 25.796,1324 0.604,1325 140,1326 469.658,1327 172.259,1328 474.476,1329 638.7,1330 444,1331 167,1332 446.513,1333 198.17,1334 464.844,1335 679.71,1336 431,1337 8.222}
{0 CHEMBL137981,1 1.805,2 10.043,3 2.858,4 8.166,5 91.856,6 8.669,7 0.68,8 3.772,9 3.882,10 3.506,11 3.305,12 5.014,13 3.296,14 4.221,15 4.367,16 3.891,17 3.644,18 5.443,19 3.619,20 4.316,21 4.452,22 3.961,23 3.768,24 5.552,25 3.718,26 4.35,27 4.496,28 3.873,29 3.743,30 5.554,31 3.669,32 4.441,33 4.644,34 3.752,35 3.691,36 5.535,37 3.583,38 4.332,39 4.578,40 3.415,41 3.579,42 5.252,43 3.403,44 4.113,45 4.347,46 3.371,47 3.33,48 5.127,49 3.241,50 3.932,51 4.106,52 3.235,53 3.18,54 5.106,55 3.156,56 0.104,57 0.608,58 6.69,59 3.214,60 11.725,61 3.493,62 0.341,63 0.902,64 14.14,65 5.476,66 27.246,67 5.946,68 0.39,69 1.037,70 16.769,71 6.264,72 25.852,73 6.396,74 0.28,75 1.023,76 16.749,77 6.719,78 24.277,79 7.206,80 0.449,81 1.044,82 20.513,83 6.545,84 38.649,85 7.798,86 0.302,87 0.897,88 23.341,89 7.775,90 27.271,91 9.502,92 0.255,93 0.709,94 17.892,95 5.669,96 20.593,97 7.205,98 0.22,99 0.633,100 10.917,101 3.502,102 18.789,103 3.912,104 21,105 35,106 0.322,107 0.648,108 0.744,109 0.827,110 0.836,111 0.845,112 3.188,113 0.902,114 -3.1,115 -3.1,116 -2.98,119 39.5,124 2,139 5,141 3,143 2,144 2,147 1,157 2,158 2,159 2,166 2,169 1,170 5,172 3,173 3,178 4,181 3,182 5,184 1,185 1,189 3,193 5,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,207 5,209 1,210 1,212 3,215 3,218 3,220 1,221 1,229 1,233 1,234 6,239 3,243 3,246 3,251 1,256 1,259 2,262 1,263 1,265 2,270 2,273 673,274 15.566,275 15.566,276 15.566,277 15.566,278 15.566,279 13.505,280 17.05,281 9.001,282 16.334,283 12.214,284 12.214,285 12.214,286 12.214,287 12.214,288 9.004,289 18.441,290 4.112,291 13.328,292 3.443,293 1.618,294 1.082,295 0.619,296 0.566,297 0.513,298 3.869,300 1,301 1,302 1,303 490,304 2.646,307 190.499,311 100.303,314 1.44,315 21.055,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50.5,327 231,328 4.543,329 4.556,330 6.503,331 4.029,332 3.083,333 4.492,334 2.95,335 10.179,336 2.918,337 4.269,338 3.267,339 6.168,340 3.839,341 2.903,342 3.914,343 0.86,344 9.141,345 2.709,346 3.814,347 3.096,348 5.512,349 3.362,350 2.487,351 3.26,352 0.86,353 7.446,354 2.164,355 3.519,356 2.914,357 5.076,358 3.06,359 2.147,360 2.868,362 6.127,363 1.947,364 3.424,365 2.217,366 5.052,367 2.947,368 2.008,369 2.811,371 5.796,372 1.879,373 3.274,374 2.182,375 4.891,376 2.789,377 1.861,378 2.578,380 5.53,381 1.712,382 2.919,383 2.061,384 4.361,385 2.521,386 1.608,387 2.057,389 4.116,390 1.461,391 2.452,392 1.261,393 3.709,394 1.954,395 1.007,396 1.432,398 2.565,399 0.95,400 1.939,401 1.061,402 3.148,403 1.611,404 0.727,405 0.854,407 1.384,408 0.634,409 1.581,410 0.939,411 2.951,412 1.231,413 0.383,414 0.427,415 0.682,416 0.321,417 1.447,418 0.877,419 2.698,420 1.092,421 0.218,422 0.266,423 0.396,424 0.187,425 1.082,426 0.541,427 2.55,428 0.675,429 -0.208,430 -0.259,431 -0.455,432 -0.181,433 0.957,434 -0.119,435 2.484,436 0.472,437 -0.446,438 -0.575,439 -1.134,440 -0.407,441 0.659,442 -0.194,443 2.319,444 0.249,445 -0.642,446 -0.763,448 -1.42,449 -0.559,450 0.582,451 -0.307,452 2.165,453 0.132,454 -0.815,455 -1.065,457 -2.13,458 -0.763,459 11,460 0.478,461 0.571,462 0.025,463 34,464 1.478,465 18.5,466 0.804,467 15.5,468 0.674,469 14.986,470 0.652,471 24.4,472 0.642,473 23.611,474 1.027,475 6.832,476 0.297,477 4.268,478 0.186,479 0.164,481 0.364,485 1.042,486 1.193,487 0.729,488 0.897,489 1.249,490 0.817,491 1.191,492 0.847,493 0.743,494 0.739,495 0.76,496 0.653,497 1.019,498 1.011,499 1.23,500 1.09,501 0.869,502 0.918,503 1.009,504 1.269,505 1.181,506 1.332,507 0.827,508 1.224,509 1.175,510 1.027,511 1.096,512 1.08,513 1.299,514 1.142,515 0.532,516 0.968,517 1.299,518 1.273,519 0.679,520 1.121,521 0.631,522 1.051,523 0.913,524 1.093,525 0.443,526 0.856,527 1.465,528 1.25,529 1.214,530 1.148,531 1.382,532 1.131,533 5.5,534 0.099,535 2.444,536 1.75,537 1.631,538 0.535,539 0.505,540 0.233,541 0.242,542 0.209,543 5533,544 17669,545 2.041,546 39.5,548 11,551 4,555 1.655,556 1.89,557 3.301,558 1.908,559 1,560 1,562 1,564 68.605,565 1.805,566 3.63,567 4.166,568 4.629,569 4.682,570 4.735,571 2.736,572 4.524,573 4.497,574 3.417,575 864.416,576 7.73,577 9801.28,578 1,579 1,580 1,581 1,582 199.421,583 1.478,584 4.443,585 0.22,586 0.008,587 0.07,588 0.047,589 0.051,590 0.021,591 0.025,592 0.011,593 0.013,594 0.013,595 0.48,596 0.17,597 1,598 0.942,599 107.741,600 -0.168,601 -0.057,602 0.039,603 0.043,604 -0.32,605 0.052,606 -0.037,607 0.201,608 0.212,609 0.273,610 0.133,611 0.266,612 0.002,613 0.141,614 -0.121,615 0.034,616 0.003,617 -0.012,618 -0.084,619 -0.201,620 -0.156,621 -0.251,622 0.041,623 -0.279,624 -0.185,625 -0.045,626 -0.08,627 -0.073,628 -0.29,629 -0.171,630 0.1,631 -0.041,632 -0.067,633 -0.09,634 0.048,635 -0.003,636 0.187,637 -0.163,638 0.197,639 -0.01,640 0.348,641 0.23,642 -0.35,643 -0.204,644 -0.359,645 -0.269,646 -0.352,647 -0.261,648 1.53,649 1.863,650 0.696,651 18.382,652 1.017,653 1.129,654 1.871,655 3.501,656 0.695,657 3.258,658 3.584,659 3.85,660 4.111,661 4.331,662 4.344,663 4.431,664 4.5,665 4.635,666 4.644,667 5.811,668 0.667,669 329.42,670 3.258,671 4.796,672 5.645,673 6.526,674 7.391,675 8.274,676 9.143,677 10.026,678 10.898,679 11.78,680 13.2,684 2,690 3,694 2,695 5,696 3,700 6,702 17,711 2,716 2,718 38,719 17,720 1,721 25,723 40,724 15,725 13,726 3,727 3,729 3,730 4,741 13,742 2,753 1,754 1,757 15,758 7,759 4,760 8,761 1,764 5,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,803 1,804 1,806 2,810 23,811 2,818 2,819 1,829 5.3,834 2,836 12.167,837 7.433,838 5.167,839 1.876,840 3.382,841 1.48,842 0.992,843 4.522,844 10.425,845 3.541,846 4.205,847 4.826,848 5.443,849 6.037,850 6.298,851 6.668,852 7.063,853 7.518,854 7.708,855 0.857,856 37,857 8.389,859 3.469,860 7.812,861 15.686,863 12.272,865 2.312,866 53.167,870 129.482,871 123.042,872 116.151,874 22,876 32.22,877 90.822,878 151.482,879 116.151,880 21.766,882 113.176,883 50.357,884 38.326,885 5.349,886 161.702,888 129.482,889 206.973,890 22,891 32.22,893 129.482,894 22,897 6.187,898 150.429,899 50.357,900 32.22,901 129.482,902 138.151,903 123.042,906 129.482,907 53.894,908 69.147,910 138.151,911 129.482,912 138.151,913 123.042,915 0.579,916 0.349,917 0.193,918 0.103,919 17,920 8,921 0.1,922 4,923 1,924 1.125,925 3.481,926 181.795,927 0.125,928 16,929 104.042,930 1,933 15.804,934 6.581,935 3.317,936 1.149,937 138.151,938 9.342,939 12.544,943 3.471,945 65.794,946 390.675,947 33.5,956 38.658,957 42.906,958 0.344,959 0.692,960 0.794,961 0.882,962 0.892,963 0.902,964 4.764,965 1.007,966 5.638,967 4.116,968 4.263,969 4.89,970 3.062,971 6.447,972 4.1,973 5.997,974 0.727,975 7.198,976 2.565,977 3.892,978 4.808,980 7.322,981 3.654,982 7.322,983 0.383,984 8.851,985 1.384,986 5.861,987 7.185,988 5.041,989 10.392,990 5.559,991 8.682,992 0.218,993 10.556,994 0.682,995 6.256,996 7.878,998 12.045,999 5.879,1000 10.068,1001 -0.208,1002 12.294,1003 0.396,1004 7.716,1005 9.756,1006 7.186,1007 14.639,1008 7.294,1009 11.474,1010 -0.446,1011 14.055,1012 -0.455,1013 8.477,1014 10.835,1016 16.641,1017 7.986,1018 12.896,1019 -0.642,1020 15.834,1021 -1.134,1022 9.727,1023 12.496,1024 9.348,1025 19.056,1026 9.196,1027 3.083,1028 -0.815,1029 17.626,1030 -1.42,1031 10.668,1032 13.779,1034 21.22,1035 10.073,1036 2.903,1037 10.179,1038 19.428,1039 -2.13,1040 11.83,1041 15.342,1042 11.511,1043 23.565,1044 11.193,1045 2.487,1046 9.141,1047 21.24,1048 4.492,1049 12.858,1050 16.728,1052 25.802,1053 12.162,1054 2.147,1055 7.446,1056 23.06,1057 3.914,1058 13.984,1059 18.248,1060 13.675,1061 28.12,1062 13.243,1063 2.008,1064 6.127,1065 24.886,1066 3.26,1067 15.054,1068 19.687,1070 30.393,1071 14.255,1072 1.861,1073 5.796,1074 26.717,1075 2.868,1076 16.167,1077 21.189,1078 15.838,1079 32.702,1080 15.32,1081 1.608,1082 5.53,1083 28.553,1084 2.811,1085 17.256,1086 22.655,1088 34.992,1089 16.355,1090 5450,1091 9873,1092 16.414,1093 26.392,1094 36.882,1095 40.208,1096 38.742,1097 36.806,1098 36.862,1099 49.917,1100 9.34,1101 106.723,1102 33.767,1103 5.306,1104 6.556,1105 6.056,1106 5.168,1107 5.083,1108 7.492,1109 5.9,1110 17.073,1111 4.918,1112 12.252,1113 1.475,1114 1.608,1115 1.55,1116 1.472,1117 1.474,1118 1.997,1119 0.374,1120 4.269,1121 1.351,1122 4.044,1123 4.082,1124 4.125,1125 3.947,1126 5.323,1127 3.946,1128 3.892,1129 3.904,1130 3.904,1131 3.807,1132 4.989,1133 3.812,1134 3.45,1135 3.51,1136 3.571,1137 3.303,1138 4.929,1139 3.297,1140 3.247,1141 3.314,1142 3.196,1143 3.02,1144 4.762,1145 3.014,1146 3.242,1147 3.304,1148 3.051,1149 2.951,1150 4.496,1151 2.958,1152 3.115,1153 3.229,1154 3.006,1155 2.831,1156 4.305,1157 2.857,1158 2.862,1159 2.917,1160 2.898,1161 2.76,1162 4.167,1163 2.718,1164 2.763,1165 2.838,1166 2.581,1167 2.624,1168 3.905,1169 2.599,1170 0.182,1171 0.182,1172 0.26,1173 0.161,1174 0.123,1175 4.543,1176 0.18,1177 4.556,1178 0.118,1179 6.503,1180 0.407,1181 4.029,1182 0.117,1183 3.083,1184 4.492,1185 2.95,1186 10.179,1187 2.918,1188 1.959,1189 1.932,1190 1.992,1191 2.101,1192 1.097,1193 2.076,1194 1.851,1195 1.836,1196 1.928,1197 1.958,1198 1.02,1199 1.953,1200 1.367,1201 1.318,1202 1.576,1203 1.589,1204 0.576,1205 1.579,1206 1.195,1207 1.128,1208 1.558,1209 1.523,1210 0.574,1211 1.539,1212 1.19,1213 1.114,1214 1.488,1215 1.48,1216 0.427,1217 1.506,1218 1.004,1219 0.907,1220 1.273,1221 1.383,1222 0.177,1223 1.364,1224 0.848,1225 0.797,1226 1.101,1227 1.009,1228 0.069,1229 1.05,1230 0.764,1231 0.706,1232 0.942,1233 0.968,1235 0.986,1236 3.932,1238 5.252,1240 6.779,1242 8.402,1244 10.073,1246 3.201,1250 11.448,1254 10.536,1255 1.475,1262 25.358,1263 68.605,1264 137.937,1265 158.302,1266 175.911,1267 177.911,1268 179.911,1269 30.24,1270 7.043,1271 109.17,1272 134.47,1273 18,1274 12.316,1275 4.17,1276 3.248,1277 36.961,1278 81,1279 75,1280 0.229,1281 162.151,1282 268.25,1283 387.409,1284 9982,1286 16.397,1287 0.713,1288 0.584,1289 16.751,1290 13.424,1291 11.101,1292 0.444,1293 0.301,1294 6.625,1295 10.062,1296 6.351,1297 5.315,1298 11.509,1299 7.517,1300 9.908,1301 0.283,1302 0.163,1303 10.604,1304 5.697,1305 8.331,1306 0.181,1307 0.088,1308 9.035,1309 4.065,1310 7.132,1311 0.119,1312 0.049,1313 7.903,1314 2.912,1315 5.67,1316 0.076,1317 0.028,1318 6.587,1319 2.082,1320 0.358,1321 74.721,1322 0.247,1323 22.523,1324 0.628,1325 120,1326 395.891,1327 160.373,1328 400.493,1329 551.74,1330 376,1331 141,1332 395.975,1333 175.21,1334 418.093,1335 609.9,1336 390,1337 7.745}
{0 CHEMBL138060,1 1.748,2 10.16,3 2.979,4 8.874,5 100.998,6 8.369,7 0.63,8 3.883,9 4.004,10 3.532,11 3.374,12 5.092,13 3.382,14 4.356,15 4.517,16 3.898,17 3.735,18 5.535,19 3.727,20 4.506,21 4.659,22 4.074,23 3.895,24 5.67,25 3.873,26 4.632,27 4.801,28 4.07,29 3.926,30 5.835,31 3.857,32 4.695,33 4.925,34 3.762,35 3.864,36 5.74,37 3.736,38 4.576,39 4.841,40 3.687,41 3.699,42 5.537,43 3.592,44 4.437,45 4.654,46 3.691,47 3.617,48 5.504,49 3.543,50 4.275,51 4.462,52 3.653,53 3.558,54 5.385,55 3.486,56 0.113,57 0.648,58 7.735,59 3.383,60 12.761,61 4.188,62 0.361,63 0.95,64 15.582,65 5.908,66 29.571,67 7.255,68 0.317,69 1.102,70 17.987,71 6.501,72 23.992,73 8.215,74 0.505,75 1.145,76 24.428,77 7.895,78 45.471,79 10.166,80 0.64,81 1.143,82 30.2,83 8.868,84 53.161,85 11.99,86 0.422,87 0.981,88 25.089,89 7.594,90 42.551,91 10.805,92 0.562,93 0.82,94 24.783,95 6.711,96 44.432,97 8.411,98 0.303,99 0.773,100 17.368,101 5.951,102 24.853,103 7.631,104 30,105 38,106 0.304,107 0.666,108 0.77,109 0.842,110 0.858,111 0.882,112 3.267,113 0.874,114 -3.71,115 -3.68,116 -3.5,119 39.5,124 2,125 1,139 5,140 2,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 7,172 3,173 3,175 3,178 4,180 1,182 5,187 4,189 4,193 3,195 1,196 2,197 1,198 5,200 2,201 2,204 4,205 1,206 1,207 1,210 3,211 1,212 3,214 1,215 4,218 2,221 1,226 1,229 4,231 1,234 6,238 1,239 1,240 1,241 4,243 1,246 5,251 1,254 3,256 1,259 2,260 2,262 1,263 1,265 2,270 2,273 853,274 16.826,275 16.826,276 16.826,277 16.826,278 16.826,279 14.692,280 23.112,281 9.666,282 17.495,283 13.154,284 13.154,285 13.154,286 13.154,287 13.154,288 9.83,289 31.331,290 4.382,291 14.113,292 3.678,293 1.601,294 1.003,295 0.593,296 0.5,297 0.361,298 3.946,299 1,300 1,301 1,302 1,303 536,304 2.915,307 209.768,311 109.065,314 1.446,315 24.922,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 54.833,327 254,328 4.654,329 3.414,330 6.835,331 4.162,332 3.212,333 4.616,334 0.86,335 11.231,336 3.038,337 4.267,338 3.185,339 6.174,340 3.871,341 2.905,342 3.911,343 0.86,344 9.174,345 2.804,346 3.903,347 2.754,348 5.797,349 3.458,350 2.537,351 3.408,352 0.657,353 7.845,354 2.327,355 3.545,356 2.683,357 5.221,358 3.162,359 2.24,360 2.862,362 6.492,363 2.057,364 3.454,365 2.254,366 5.097,367 2.987,368 2.054,369 2.855,371 5.916,372 1.909,373 3.386,374 2.075,375 5.009,376 2.923,377 1.982,378 2.708,380 5.795,381 1.855,382 2.927,383 2.047,384 4.421,385 2.572,386 1.623,387 2.065,389 4.305,390 1.533,391 2.703,392 1.782,393 4.223,394 2.238,395 1.343,396 1.774,398 3.51,399 1.145,400 2.072,401 1.256,402 3.349,403 1.757,404 0.823,405 0.996,407 1.876,408 0.759,409 1.865,410 0.948,411 3.044,412 1.584,413 0.711,414 0.793,415 1.275,416 0.612,417 1.484,418 0.91,419 2.836,420 1.2,421 0.341,422 0.377,423 0.488,424 0.289,425 1.343,426 0.505,427 2.81,428 0.974,429 0.054,430 0.067,431 0.12,432 0.047,433 1.188,434 0.183,435 2.642,436 0.715,437 -0.116,438 -0.142,439 -0.3,440 -0.084,441 0.935,442 -0.031,443 2.516,444 0.516,445 -0.41,446 -0.517,448 -0.855,449 -0.375,450 0.742,451 -0.295,452 2.233,453 0.371,454 -0.527,455 -0.627,457 -1.183,458 -0.464,459 11.881,460 0.475,461 0.644,462 0.026,463 35.25,464 1.41,465 18.5,466 0.74,467 16.75,468 0.67,469 18.233,470 0.729,471 27.119,472 0.631,473 26.109,474 1.044,475 7.239,476 0.29,477 4.789,478 0.192,479 0.212,481 0.379,485 0.993,486 1.276,487 0.647,488 0.945,489 1.126,490 0.842,491 1.116,492 0.858,493 0.658,494 0.711,495 0.717,496 0.699,497 1.087,498 1.266,499 0.856,500 0.995,501 0.926,502 0.939,503 0.961,504 1.282,505 1.19,506 1.319,507 0.861,508 1.261,509 0.866,510 0.953,511 1.324,512 1.176,513 1.105,514 1.212,515 0.784,516 0.865,517 0.735,518 0.848,519 0.715,520 0.859,521 1.414,522 0.648,523 1.234,524 0.835,525 1.146,526 0.84,527 0.917,528 1.184,529 0.995,530 1.203,531 0.839,532 1.116,533 5.5,534 0.136,535 3.111,536 2.188,537 1.862,538 0.819,539 0.427,540 0.38,541 0.287,542 0.217,543 6747,544 21409,545 2.015,546 41.9,548 13,551 5,555 1.681,556 1.852,557 3.298,558 2.647,559 1,560 1,564 75.174,565 1.748,566 3.826,567 4.423,568 4.833,569 4.926,570 5.066,571 2.713,572 4.484,573 4.618,574 3.446,575 1033.72,576 7.987,577 12491.4,579 1,581 1,582 233.329,583 1.516,584 4.555,585 0.204,586 0.009,587 0.082,588 0.052,589 0.05,590 0.029,591 0.016,592 0.015,593 0.011,594 0.01,595 0.479,596 0.17,597 1,598 0.942,599 120.291,600 -0.157,601 -0.053,602 0.002,603 0.012,604 -0.263,605 0.05,606 -0.056,607 0.231,608 0.118,609 0.257,610 0.109,611 0.226,612 -0.139,613 -0.144,614 0.021,615 -0.015,616 -0.092,617 -0.016,618 0.04,619 -0.243,620 -0.11,621 -0.3,622 0.102,623 -0.303,624 0.046,625 -0.005,626 -0.213,627 -0.168,628 -0.119,629 -0.208,630 0.028,631 0.039,632 0.194,633 0.126,634 0.111,635 0.172,636 -0.152,637 0.248,638 -0.029,639 0.19,640 -0.106,641 0.154,642 0.032,643 -0.213,644 0.022,645 -0.164,646 0.031,647 -0.111,648 1.553,649 2.367,650 0.64,651 20.125,652 1.016,653 1.134,654 2.482,655 6.161,656 0.677,657 3.332,658 3.664,659 3.951,660 4.205,661 4.407,662 4.466,663 4.466,664 4.522,665 4.615,666 4.673,667 5.998,668 0.652,669 359.85,670 3.332,671 4.875,672 5.733,673 6.619,674 7.492,675 8.382,676 9.26,677 10.152,678 11.032,679 11.925,680 11.6,684 2,685 1,690 2,694 2,695 5,696 2,700 7,702 17,711 2,712 1,716 2,717 1,718 43,719 17,720 2,721 27,723 45,724 17,725 14,726 7,727 5,729 3,730 4,731 1,741 14,742 3,753 1,754 1,757 18,758 7,759 5,760 8,761 1,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 2,807 1,810 25,811 2,816 1,817 1,818 2,828 1,829 4.7,834 2,836 13.5,837 8.21,838 5.639,839 2.166,840 3.427,841 1.478,842 0.99,843 5.247,844 10.605,845 3.597,846 4.263,847 4.898,848 5.503,849 6.071,850 6.346,851 6.619,852 6.956,853 7.342,854 7.482,855 0.857,856 42,857 9.137,859 3.794,860 7.824,861 17.087,863 13.455,865 2.324,866 58.111,869 1,870 153.024,871 100.127,872 117.376,873 39.149,874 22,877 100.127,878 214.173,879 117.376,880 21.766,881 2.106,882 113.176,883 51.582,884 46.647,885 4.227,886 153.024,887 39.149,888 153.024,889 217.503,890 22,891 39.149,893 153.024,894 22,897 6.149,898 159.772,899 90.73,901 153.024,902 139.376,903 139.276,906 153.024,907 30.98,908 69.147,909 18.011,910 160.514,911 153.024,912 139.376,913 139.276,915 0.581,916 0.356,917 0.194,918 0.102,919 18,920 9,921 0.111,922 5,923 1,924 1.125,925 3.6,926 205.324,927 0.125,928 16,929 116.096,933 17.698,934 7.412,935 3.62,936 1.165,937 139.376,938 9.211,939 8.112,943 3.935,945 83.805,946 431.676,947 35.5,956 43.673,957 48.761,958 0.322,959 0.705,960 0.815,961 0.891,962 0.908,963 0.934,964 4.83,965 1.343,966 5.733,967 4.305,968 4.344,969 4.949,970 1.573,971 6.567,972 4.212,973 6.067,974 0.823,975 7.313,976 3.51,977 4.007,978 4.913,980 7.526,981 3.807,982 7.399,983 0.711,984 8.989,985 1.876,986 5.964,987 7.258,988 1.27,989 10.623,990 5.734,991 8.77,992 0.341,993 10.722,994 1.275,995 6.415,996 8.015,998 12.392,999 6.111,1000 10.169,1001 0.054,1002 12.492,1003 0.488,1004 7.862,1005 9.867,1006 1.022,1007 15.034,1008 7.539,1009 11.59,1010 -0.116,1011 14.287,1012 0.12,1013 8.682,1014 11.007,1016 17.159,1017 8.287,1018 13.029,1019 -0.41,1020 16.102,1021 -0.3,1022 9.934,1023 12.659,1024 0.818,1025 19.646,1026 9.514,1027 3.212,1028 -0.527,1029 17.932,1030 -0.855,1031 10.928,1032 13.993,1034 21.929,1035 10.442,1036 2.905,1037 11.231,1038 19.775,1039 -1.183,1040 12.106,1041 15.562,1042 0.65,1043 24.362,1044 11.586,1045 2.537,1046 9.174,1047 21.63,1048 4.616,1049 13.182,1050 16.992,1052 26.716,1053 12.601,1054 2.24,1055 7.845,1056 23.493,1057 3.911,1058 14.336,1059 18.528,1060 0.511,1061 29.131,1062 13.712,1063 2.054,1064 6.492,1065 25.364,1066 3.408,1067 15.45,1068 20.005,1070 31.517,1071 14.768,1072 1.982,1073 5.916,1074 27.242,1075 2.862,1076 16.597,1077 21.53,1078 0.399,1079 33.929,1080 15.867,1081 1.623,1082 5.795,1083 29.126,1084 2.855,1085 17.731,1086 23.03,1088 36.329,1089 16.944,1090 6663,1091 11999,1092 17.512,1093 29.125,1094 39.652,1095 41.157,1096 42.086,1097 39.73,1098 39.649,1099 52.866,1100 4.755,1101 116.055,1102 36.752,1103 5.496,1104 5.414,1105 6.403,1106 5.234,1107 5.212,1108 7.616,1109 1.72,1110 18.468,1111 5.038,1112 14.243,1113 1.469,1114 1.524,1115 1.559,1116 1.471,1117 1.468,1118 1.958,1119 0.176,1120 4.298,1121 1.361,1122 4.076,1123 4.107,1124 4.135,1125 3.988,1126 5.316,1127 3.997,1128 3.925,1129 3.943,1130 3.88,1131 3.841,1132 4.991,1133 3.846,1134 3.521,1135 3.589,1136 3.58,1137 3.31,1138 4.921,1139 3.34,1140 3.33,1141 3.378,1142 3.294,1143 3.073,1144 4.845,1145 3.089,1146 3.223,1147 3.303,1148 3.189,1149 2.988,1150 4.602,1151 2.997,1152 3.137,1153 3.236,1154 3.065,1155 2.929,1156 4.441,1157 2.936,1158 3.119,1159 3.213,1160 2.923,1161 2.862,1162 4.239,1163 2.85,1164 2.838,1165 2.905,1166 2.883,1167 2.645,1168 4.114,1169 2.653,1170 0.172,1171 0.126,1172 0.253,1173 0.154,1174 0.119,1175 4.654,1176 0.171,1177 3.414,1178 0.032,1179 6.835,1180 0.416,1181 4.162,1182 0.113,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.038,1188 2.007,1189 1.984,1190 2.05,1191 2.119,1192 1.205,1193 2.103,1194 1.891,1195 1.874,1196 1.981,1197 2.001,1198 1.125,1199 1.995,1200 1.43,1201 1.367,1202 1.605,1203 1.681,1204 0.686,1205 1.66,1206 1.25,1207 1.193,1208 1.582,1209 1.568,1210 0.584,1211 1.571,1212 1.187,1213 1.111,1214 1.527,1215 1.471,1216 0.549,1217 1.494,1218 1.115,1219 1.024,1220 1.426,1221 1.384,1222 0.398,1223 1.407,1224 1.039,1225 0.969,1226 1.278,1227 1.38,1228 0.148,1229 1.367,1230 0.801,1231 0.726,1232 1.064,1233 1.016,1234 0.098,1235 1.035,1236 4.007,1238 5.333,1240 6.868,1242 8.504,1244 10.193,1246 3.241,1247 6.478,1250 11.558,1252 0.487,1253 3.279,1254 10.644,1262 28.052,1263 75.174,1264 164.5,1265 190.21,1266 207.82,1267 211.82,1268 217.82,1269 39.309,1270 7.178,1271 108.31,1272 108.31,1273 18,1274 12.454,1275 4.17,1276 3.248,1277 41.794,1278 91,1279 83,1280 0.229,1281 178.538,1282 299.55,1283 427.392,1284 12143,1285 2.3,1286 17.974,1287 0.719,1288 0.584,1289 18.474,1290 14.593,1291 12.028,1292 0.445,1293 0.291,1294 7.368,1295 11.176,1296 7.115,1297 5.939,1298 12.317,1299 7.869,1300 10.681,1301 0.281,1302 0.15,1303 11.014,1304 5.698,1305 9.198,1306 0.18,1307 0.082,1308 9.626,1309 4.196,1310 7.811,1311 0.118,1312 0.044,1313 8.278,1314 2.901,1315 5.851,1316 0.072,1317 0.022,1318 6.074,1319 1.789,1320 0.357,1321 79.425,1322 0.239,1323 24.115,1324 0.632,1325 130,1326 413.922,1327 159.38,1328 428.042,1329 577.59,1330 400,1331 154,1332 404.968,1333 181.295,1334 422.858,1335 616.73,1336 394,1337 7.553}
{0 CHEMBL13820,1 1.713,2 10,3 1.248,4 1.557,5 92.293,6 7.742,7 0.462,8 3.919,9 4.029,10 3.479,11 3.304,12 5.179,13 3.339,14 4.398,15 4.557,16 3.795,17 3.626,18 5.69,19 3.644,20 4.538,21 4.682,22 3.875,23 3.764,24 5.757,25 3.769,26 4.659,27 4.836,28 3.865,29 3.822,30 5.892,31 3.789,32 4.736,33 4.934,34 3.753,35 3.846,36 5.771,37 3.793,38 4.706,39 4.909,40 3.747,41 3.82,42 5.771,43 3.762,44 4.769,45 5.012,46 3.81,47 3.748,48 5.931,49 3.685,50 4.623,51 4.847,52 3.696,53 3.604,54 5.864,55 3.56,56 0.188,57 0.628,58 9.126,59 3.604,60 20.923,61 4.609,62 0.582,63 0.885,64 17.406,65 5.966,66 63.06,67 7.603,68 0.673,69 1.024,70 19.417,71 6.41,72 57.056,73 8.455,74 0.798,75 1.099,76 22.791,77 7.539,78 76.256,79 10.274,80 0.792,81 1.117,82 26.175,83 8.01,84 61.122,85 10.944,86 0.616,87 1.106,88 24.6,89 7.85,90 53.061,91 11.088,92 0.995,93 1.032,94 29.073,95 8.321,96 89.143,97 12.522,98 0.815,99 0.919,100 24.268,101 6.713,102 70.523,103 10.133,104 49,105 35,106 0.299,107 0.667,108 0.806,109 0.837,110 0.852,111 0.883,112 3.267,113 0.855,114 -2.24,115 -2.28,116 -2.25,119 35.6,121 2,124 2,125 1,139 2,140 2,141 3,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 4,167 1,169 1,170 6,172 3,173 4,175 2,178 4,180 1,181 2,182 6,183 1,187 1,189 2,191 1,192 2,193 7,195 1,196 2,197 1,198 2,200 2,201 1,204 2,205 1,207 8,212 3,215 1,216 1,218 3,221 3,222 1,226 2,229 2,230 1,231 1,233 5,234 1,235 1,236 2,237 3,239 3,241 1,242 2,243 2,245 3,246 2,248 1,249 2,251 2,255 1,260 3,262 2,263 2,265 2,270 1,273 943,274 16.533,275 16.533,276 16.533,277 16.533,278 16.533,279 14.772,280 24.656,281 9.77,282 17.187,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.922,289 32.688,290 4.47,291 13.553,292 3.779,293 1.673,294 0.878,295 0.7,296 0.611,297 0.434,298 3.927,301 1,302 1,303 504,304 3.536,307 179.861,314 1.44,315 34.642,318 1,319 0.83,320 1,321 1,322 0.5,323 0.83,324 0.5,325 0.81,326 57,327 250,328 4.431,329 3.599,330 6.528,331 4.026,332 3.076,333 4.114,334 2.341,335 10.289,336 2.927,337 4.228,338 3.391,339 6.088,340 3.81,341 2.856,342 3.875,343 0.86,344 8.842,345 2.72,346 3.601,347 3.077,348 5.281,349 3.245,350 2.283,351 2.934,352 0.86,353 6.715,354 2.203,355 3.553,356 2.6,357 5.21,358 3.22,359 2.242,360 2.72,361 0.86,362 6.238,363 2.161,364 3.362,365 2.537,366 4.921,367 2.975,368 2.053,369 2.662,370 0.68,371 5.65,372 1.873,373 3.359,374 2.183,375 4.653,376 2.939,377 1.999,378 2.6,380 5.154,381 1.868,382 2.823,383 2.023,384 4.147,385 2.353,386 1.423,387 1.952,389 3.673,390 1.32,391 2.35,392 1.577,393 3.829,394 2.126,395 1.257,396 1.328,398 2.78,399 1.08,400 2.017,401 1.43,402 3.209,403 1.778,404 0.876,405 0.959,407 1.813,408 0.778,409 1.611,410 0.984,411 2.976,412 1.322,413 0.415,414 0.474,415 0.85,416 0.371,417 1.47,418 0.74,419 2.739,420 1.181,421 0.295,422 0.338,423 0.463,424 0.261,425 1.11,426 0.626,427 2.427,428 0.832,429 -0.088,430 -0.098,431 -0.177,432 -0.079,433 0.939,434 0.293,435 2.359,436 0.613,437 -0.328,438 -0.392,439 -0.725,440 -0.306,441 0.795,442 0.083,443 2.304,444 0.392,445 -0.515,446 -0.621,448 -1.242,449 -0.466,450 0.63,451 -0.299,452 2.209,453 0.218,454 -0.723,455 -0.878,457 -1.716,458 -0.662,459 11.267,460 0.451,461 0.647,462 0.026,463 32.5,464 1.3,465 16,466 0.64,467 16.5,468 0.66,469 18.83,470 0.753,471 28.933,472 0.643,473 25.928,474 1.037,475 6.887,476 0.275,477 5.052,478 0.202,479 0.219,481 0.355,485 0.987,486 1.409,487 0.809,488 1.229,489 0.94,490 0.992,491 1.014,492 0.856,493 0.786,494 0.889,495 0.554,496 0.804,497 1.101,498 1.225,499 1.033,500 1.131,501 1.068,502 1.072,503 0.826,504 1.077,505 1.031,506 1.186,507 0.773,508 1.166,509 1.238,510 1.01,511 1.164,512 1.023,513 0.692,514 1.076,515 0.987,516 1.208,517 1.089,518 1.253,519 0.714,520 1.209,521 0.588,522 0.894,523 0.694,524 0.945,525 0.603,526 0.881,527 0.754,528 1.14,529 0.831,530 1.11,531 0.759,532 1.02,533 6,534 0.132,535 2.667,536 1.938,537 1.538,538 0.729,539 0.69,540 0.549,541 0.304,542 0.183,543 6202,544 22563,545 1.928,546 44.4,547 2,548 10,550 1,551 5,552 2,555 1.685,556 1.765,557 3.289,558 2.686,559 1,560 1,562 1,564 77.085,565 1.713,566 3.819,567 4.614,568 4.792,569 4.881,570 5.058,571 2.725,572 4.404,573 4.611,574 3.444,575 1033.09,576 8.004,577 12677.9,579 1,582 247.133,583 1.541,584 4.546,585 0.231,586 0.011,587 0.076,588 0.052,589 0.044,590 0.023,591 0.022,592 0.017,593 0.011,594 0.01,595 0.497,596 0.17,597 1,598 1.604,599 120.476,600 -0.161,601 -0.113,602 0.003,603 -0.064,604 -0.181,605 0.016,606 0.003,607 0.243,608 0.137,609 0.182,610 0.183,611 0.186,612 -0.083,613 -0.092,614 -0.133,615 -0.05,616 -0.181,617 -0.092,618 0.089,619 0.007,620 -0.117,621 -0.131,622 0.017,623 -0.17,624 -0.254,625 -0.02,626 -0.211,627 0.012,628 -0.126,629 -0.075,630 -0.142,631 -0.183,632 -0.164,633 -0.206,634 -0.072,635 -0.191,636 0.323,637 -0.019,638 0.313,639 0.041,640 0.236,641 0.144,642 0.203,643 -0.22,644 0.163,645 -0.131,646 0.172,647 -0.021,648 2.617,649 3.666,650 0.48,651 23.366,652 1.025,653 1.141,654 1.012,655 1.023,656 0.631,657 3.296,658 3.584,659 3.784,660 4.007,661 4.19,662 4.22,663 4.29,664 4.369,665 4.369,666 4.331,667 6.014,668 0.619,669 348.4,670 3.296,671 4.812,672 5.631,673 6.494,674 7.336,675 8.205,676 9.058,677 9.93,678 10.79,679 11.664,680 8.9,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 3,718 45,719 13,720 1,721 26,723 46,724 16,725 10,726 4,727 2,729 2,730 2,739 2,741 11,742 5,744 1,748 1,751 1,753 1,754 1,757 20,758 9,759 5,760 9,764 4,769 1,770 5,776 1,781 2,792 1,800 1,802 2,806 2,810 25,811 2,815 1,816 3,818 3,829 11.1,831 1,832 1,834 3,836 14.167,837 8.433,838 5.75,839 2.246,840 2.301,841 1.344,842 0.91,843 6.666,844 8.99,845 3.526,846 4.094,847 4.58,848 5.1,849 5.599,850 5.749,851 5.978,852 6.33,853 6.648,854 6.917,855 0.857,856 37,857 9.157,859 3.73,860 8.113,861 16.726,863 12.671,865 2.613,866 65.333,870 176.567,871 86.666,872 99.365,874 100.828,877 86.666,878 277.394,879 99.365,880 21.766,881 9.661,882 84.747,883 114.08,884 64.149,885 4.227,886 164.795,888 176.567,889 186.031,890 100.828,893 176.567,894 100.828,897 20.608,898 131.852,899 33.571,901 176.567,902 200.193,903 86.666,906 176.567,907 36.9,908 49.766,910 200.193,911 176.567,912 200.193,913 86.666,915 0.569,916 0.324,917 0.174,918 0.094,919 14,920 8,921 0.174,922 8,924 1,925 3.563,926 193.454,928 12,929 116.096,933 19.083,934 8.733,935 5.111,937 200.193,938 5.066,939 7.868,943 3.12,945 108.478,946 463.426,947 33,951 10.666,954 -0.95,956 46.113,957 51.362,958 0.312,959 0.695,960 0.84,961 0.872,962 0.889,963 0.921,964 4.745,965 1.257,966 5.617,967 3.673,968 4.263,969 4.779,970 2.703,971 6.395,972 4.144,973 5.949,974 0.876,975 7.162,976 2.78,977 3.892,978 4.677,979 2.243,980 7.261,981 3.747,982 7.255,983 0.415,984 8.803,985 1.813,986 5.826,987 6.946,988 3.722,989 10.315,990 5.616,991 8.593,992 0.295,993 10.5,994 0.85,995 6.217,996 7.587,997 4.112,998 11.981,999 5.968,1000 9.958,1001 -0.088,1002 12.233,1003 0.463,1004 7.655,1005 9.391,1006 5.216,1007 14.572,1008 7.358,1009 11.343,1010 -0.328,1011 13.991,1012 -0.177,1013 8.411,1014 10.387,1015 5.889,1016 16.594,1017 8.064,1018 12.743,1019 -0.515,1020 15.769,1021 -0.725,1022 9.647,1023 11.994,1024 6.851,1025 19.015,1026 9.259,1027 3.076,1028 -0.723,1029 17.562,1030 -1.242,1031 10.585,1032 13.175,1033 7.625,1034 21.198,1035 10.141,1036 2.856,1037 10.289,1038 19.367,1039 -1.716,1040 11.738,1041 14.685,1042 8.526,1043 23.555,1044 11.253,1045 2.283,1046 8.842,1047 21.181,1048 4.114,1049 12.764,1050 15.965,1051 9.342,1052 25.811,1053 12.223,1054 2.242,1055 6.715,1056 23.005,1057 3.875,1058 13.885,1059 17.423,1060 10.216,1061 28.143,1062 13.3,1063 2.053,1064 6.238,1065 24.835,1066 2.934,1067 14.953,1068 18.758,1069 11.051,1070 30.433,1071 14.314,1072 1.999,1073 5.65,1074 26.671,1075 2.72,1076 16.063,1077 20.189,1078 11.912,1079 32.757,1080 15.378,1081 1.423,1082 5.154,1083 28.512,1084 2.662,1085 17.152,1086 21.553,1087 12.755,1088 35.063,1089 16.414,1090 6425,1091 12348,1092 16.414,1093 28.387,1094 37.687,1095 39.143,1096 39.931,1097 37.473,1098 37.549,1099 47.914,1100 11.202,1101 104.937,1102 35.125,1103 5.296,1104 5.599,1105 6.077,1106 5.096,1107 5.076,1108 7.114,1109 3.925,1110 17.223,1111 4.927,1112 15.885,1113 1.45,1114 1.505,1115 1.536,1116 1.441,1117 1.444,1118 1.843,1119 0.431,1120 4.036,1121 1.351,1122 3.992,1123 4.017,1124 3.951,1125 3.894,1126 7.474,1127 3.904,1128 3.816,1129 3.855,1130 3.783,1131 3.647,1132 6.351,1133 3.675,1134 3.622,1135 3.647,1136 3.526,1137 3.412,1138 5.291,1139 3.429,1140 3.318,1141 3.377,1142 3.194,1143 3.078,1144 4.981,1145 3.1,1146 3.253,1147 3.314,1148 3.099,1149 2.953,1150 4.957,1151 2.971,1152 3.142,1153 3.227,1154 2.979,1155 2.86,1156 4.548,1157 2.871,1158 3.05,1159 3.116,1160 2.906,1161 2.719,1162 4.469,1163 2.756,1164 2.943,1165 3.031,1166 2.771,1167 2.623,1168 4.433,1169 2.646,1170 0.17,1171 0.138,1172 0.251,1173 0.155,1174 0.118,1175 4.431,1176 0.158,1177 3.599,1178 0.09,1179 6.528,1180 0.396,1181 4.026,1182 0.113,1183 3.076,1184 4.114,1185 2.341,1186 10.289,1187 2.927,1188 1.929,1189 1.912,1190 2.016,1191 2.051,1192 1.21,1193 2.038,1194 1.73,1195 1.692,1196 1.823,1197 1.929,1198 1.036,1199 1.897,1200 1.546,1201 1.51,1202 1.761,1203 1.783,1204 0.858,1205 1.772,1206 1.248,1207 1.187,1208 1.575,1209 1.539,1210 0.574,1211 1.549,1212 1.189,1213 1.115,1214 1.568,1215 1.522,1216 0.571,1217 1.537,1218 1.069,1219 0.989,1220 1.341,1221 1.392,1222 0.36,1223 1.383,1224 0.906,1225 0.853,1226 1.22,1227 1.304,1228 0.159,1229 1.277,1230 0.851,1231 0.749,1232 1.118,1233 1.217,1234 0.068,1235 1.197,1236 3.97,1238 5.263,1240 6.746,1242 8.328,1244 9.963,1246 2.983,1250 11.365,1251 8.747,1252 0.293,1254 16.175,1262 27.874,1263 77.085,1264 171.849,1265 207.624,1266 215.624,1267 219.624,1268 227.624,1269 56.846,1270 6.69,1271 142.81,1272 142.81,1273 12,1274 12.208,1275 3.807,1276 3,1277 51.385,1278 89,1279 89,1280 0.286,1281 176.128,1282 308.31,1283 421.512,1284 6036,1286 18.397,1287 0.736,1288 0.559,1289 18.397,1290 13.983,1291 11.939,1292 0.459,1293 0.285,1294 7.209,1295 11.15,1296 7.009,1297 5.847,1298 11.939,1299 7.406,1300 10.554,1301 0.302,1302 0.147,1303 10.554,1304 5.137,1305 8.081,1306 0.188,1307 0.079,1308 8.081,1309 3.389,1310 6.642,1311 0.123,1312 0.041,1313 6.642,1314 2.232,1315 5.087,1316 0.078,1317 0.023,1318 5.087,1319 1.484,1320 0.442,1321 77.368,1322 0.247,1323 24.187,1324 0.802,1325 122,1326 471.007,1327 141.778,1328 436.677,1329 574.69,1330 406,1331 139,1332 403.184,1333 157.174,1334 405.028,1335 582.2,1336 375,1337 4.131}
{0 CHEMBL138252,1 1.675,2 9.15,3 2.987,4 8.92,5 79.536,6 9.25,7 0.773,8 3.583,9 3.716,10 3.318,11 3.134,12 4.849,13 3.146,14 4,15 4.146,16 3.711,17 3.491,18 5.312,19 3.482,20 4.218,21 4.41,22 3.718,23 3.558,24 5.456,25 3.531,26 4.147,27 4.354,28 3.494,29 3.429,30 5.346,31 3.374,32 4.076,33 4.307,34 3.35,35 3.311,36 5.278,37 3.248,38 4,39 4.255,40 3.119,41 3.223,42 5.018,43 3.123,44 3.761,45 3.988,46 3.185,47 3.077,48 4.881,49 2.993,50 3.609,51 3.819,52 3.043,53 2.9,54 4.84,55 2.838,56 0.098,57 0.528,58 4.299,59 2.02,60 12.007,61 2.266,62 0.179,63 0.778,64 7.218,65 3.669,66 16.378,67 4.502,68 0.318,69 0.88,70 13.483,71 4.202,72 28.118,73 4.958,74 0.258,75 0.794,76 13.141,77 4.365,78 27.408,79 5.485,80 0.31,81 0.734,82 10.974,83 3.817,84 30.754,85 4.934,86 0.253,87 0.62,88 13.197,89 4.024,90 27.373,91 5.278,92 0.161,93 0.492,94 9.669,95 3.57,96 15.765,97 4.885,98 0.171,99 0.427,100 8.156,101 2.331,102 17.888,103 2.724,104 10,105 31,106 0.312,107 0.601,108 0.757,109 0.85,110 0.85,111 0.85,112 3.058,113 0.848,114 -4.42,115 -4.35,116 -4.1,119 41.9,139 6,141 2,143 2,144 2,147 1,157 2,158 2,159 2,166 3,169 1,170 2,172 3,173 4,175 3,178 4,181 2,182 2,184 1,185 1,187 3,189 4,193 3,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,207 3,209 1,210 3,211 1,212 3,214 1,215 4,218 2,229 2,234 5,238 1,239 2,240 1,241 1,243 2,246 4,251 2,254 1,256 2,265 2,270 2,273 454,274 13.326,275 13.326,276 13.326,277 13.326,278 13.326,279 11.213,280 17.413,281 7.793,282 13.754,283 10.871,284 10.871,285 10.871,286 10.871,287 10.871,288 7.764,289 25.641,290 3.759,291 11.659,292 3.28,293 1.722,294 0.887,295 0.387,296 0.387,297 0.387,298 3.738,299 1,300 1,301 1,302 1,303 394,304 2.121,307 156.34,311 81.845,314 1.365,315 18.164,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 43.333,327 183,328 4.542,329 3.128,330 6.503,331 4.032,332 3.081,333 4.492,334 0.4,335 10.179,336 2.93,337 4.043,338 2.957,339 5.58,340 3.618,341 2.67,342 3.635,344 7.678,345 2.525,346 3.749,347 2.691,348 5.171,349 3.277,350 2.362,351 3.222,353 6.47,354 2.156,355 3.456,356 2.278,357 5.062,358 2.998,359 2.094,360 2.811,362 5.845,363 1.885,364 3.421,365 2.109,366 4.98,367 2.938,368 2,369 2.78,371 5.791,372 1.851,373 3.241,374 1.952,375 4.781,376 2.763,377 1.834,378 2.529,380 5.321,381 1.643,382 2.5,383 1.058,384 3.709,385 2,386 1.007,387 1.5,389 2.565,390 1,391 2.452,392 1,393 3.414,394 1.954,395 1,396 1.432,398 2.275,399 0.951,400 1.628,401 0.679,402 3.037,403 1.244,404 0.336,405 0.415,407 0.844,408 0.293,409 1.276,410 0.247,411 2.687,412 0.828,413 -0.058,414 -0.074,415 -0.135,416 -0.046,417 0.976,418 -0.224,419 2.519,420 0.482,421 -0.433,422 -0.562,423 -1.128,424 -0.381,425 0.723,426 -0.308,427 2.272,428 0.295,429 -0.577,430 -0.701,431 -1.482,432 -0.46,433 0.516,434 -0.71,435 2,436 0.132,437 -0.815,438 -1.095,439 -2.235,440 -0.769,441 0.5,442 -0.79,443 1.863,445 -1,446 -1.288,448 -2.686,449 -0.85,450 0.305,451 -1,452 1.578,453 -0.102,454 -1,455 -1.5,457 -3,458 -1,459 9.614,460 0.481,461 0.558,462 0.028,463 31.25,464 1.563,465 17.5,466 0.875,467 13.75,468 0.688,469 11.141,470 0.557,471 20.386,472 0.658,473 20.084,474 1.004,475 6.172,476 0.309,477 3.442,478 0.172,479 0.158,481 0.364,485 1.062,486 1.198,487 0.589,488 0.708,489 1.241,490 0.67,491 0.538,492 1.113,493 0.585,494 0.95,495 0.431,496 0.887,497 1.245,498 1.039,499 1.069,500 0.937,501 1.006,502 0.953,503 1.019,504 1.205,505 1.022,506 1.171,507 0.856,508 1.148,509 0.782,510 0.839,511 0.764,512 0.966,513 1.039,514 1.086,515 1.072,516 0.783,517 0.93,518 0.838,519 1.107,520 0.953,521 0.413,522 1.004,523 0.636,524 1.015,525 0.394,526 0.95,527 1.558,528 1.092,529 1.302,530 0.985,531 1.493,532 1.051,533 5,534 0.033,535 2,536 1.313,537 1.36,538 0.299,539 0.464,540 0.217,541 0.135,542 0.154,543 3878,544 13304,545 2.077,546 35.5,548 6,551 5,555 1.614,556 1.935,557 3.163,558 2.917,560 1,562 1,564 51.911,565 1.675,566 3.232,567 4.067,568 4.567,569 4.567,570 4.567,571 2.666,572 3.784,573 4.294,574 3.267,575 620.756,576 7.318,577 6271.25,578 1,579 1,580 1,581 1,582 153.58,583 1.441,584 4.248,585 0.227,586 0.006,587 0.065,588 0.044,589 0.057,590 0.015,591 0.029,592 0.014,593 0.01,594 0.017,595 0.483,596 0.33,597 1,598 0.627,599 88.63,600 -0.274,601 -0.031,602 -0.025,603 0.131,604 -0.408,605 0.113,606 0.259,607 -0.007,608 0.081,609 -0.064,610 0.268,611 -0.042,612 -0.211,613 0.012,614 -0.173,615 -0.041,616 -0.143,617 -0.085,618 -0.101,619 -0.222,620 -0.16,621 -0.237,622 0.032,623 -0.206,624 0.097,625 0.165,626 -0.063,627 -0.073,628 -0.067,629 -0.15,630 -0.204,631 0.117,632 -0.037,633 0.157,634 -0.24,635 0.101,636 0.352,637 -0.131,638 0.295,639 0.034,640 0.4,641 0.144,642 -0.432,643 -0.11,644 -0.203,645 -0.033,646 -0.341,647 -0.127,648 1.532,649 1.8,650 0.8,651 14.17,652 1.019,653 1.135,654 3.186,655 10.151,656 0.715,657 3.135,658 3.466,659 3.689,660 3.951,661 4.205,662 4.174,663 4.263,664 4.331,665 4.443,666 4.394,667 5.235,668 0.695,669 286.75,670 3.135,671 4.673,672 5.509,673 6.385,674 7.239,675 8.116,676 8.979,677 9.856,678 10.723,679 11.601,680 19.4,684 2,688 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,712 1,717 1,718 31,719 17,720 1,721 22,723 33,724 13,725 13,726 2,727 4,729 3,730 4,731 1,741 13,753 1,754 1,757 11,758 6,759 5,760 7,761 1,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,807 1,810 20,811 2,817 1,828 1,836 10.333,837 5.41,838 4.306,839 1.586,840 3.34,841 1.495,842 1.041,843 3.3,844 10.089,845 3.45,846 4.127,847 4.725,848 5.348,849 5.964,850 6.188,851 6.572,852 6.984,853 7.426,854 7.558,855 1,856 30,857 7.274,859 3.075,860 7.864,861 13.523,863 10.806,865 2.364,866 47.278,870 70.627,871 73.958,872 134.162,873 39.149,877 73.958,878 109.775,879 134.162,882 122.652,883 50.357,884 28.556,885 6.555,886 70.627,887 39.149,888 70.627,889 208.12,891 39.149,893 70.627,897 24.198,898 133.565,899 89.505,901 70.627,902 134.162,903 113.107,906 70.627,907 17.101,908 56.857,909 18.011,910 155.3,911 70.627,912 134.162,913 113.107,915 0.588,916 0.331,917 0.177,918 0.103,919 16,920 7,921 0.061,922 2,923 1,924 1.125,925 3.266,926 149.746,927 0.125,928 16,929 82.439,933 12.906,934 5.113,935 2.765,936 1.12,937 134.162,938 10.887,939 12.357,943 2.577,945 83.805,946 317.895,947 30.5,956 31.585,957 35.179,958 0.338,959 0.652,960 0.821,961 0.922,962 0.922,963 0.922,964 4.666,965 1,966 5.501,967 2.565,968 4.143,969 4.812,970 0.278,971 6.282,972 4.011,973 5.904,974 0.336,975 7.041,976 2.275,977 3.761,978 4.691,980 7.081,981 3.517,982 7.221,983 -0.058,984 8.673,985 0.844,986 5.714,987 7.099,988 0.05,989 10.153,990 5.467,991 8.571,992 -0.433,993 10.355,994 -0.135,995 6.066,996 7.744,998 11.75,999 5.724,1000 9.946,1001 -0.577,1002 12.071,1003 -1.128,1004 7.533,1005 9.655,1006 0.008,1007 14.359,1008 7.185,1009 11.342,1010 -0.815,1011 13.812,1012 -1.482,1013 8.252,1014 10.701,1016 16.343,1017 7.828,1018 12.754,1019 -1,1020 15.573,1021 -2.235,1022 9.511,1023 12.387,1024 0.001,1025 18.775,1026 9.068,1027 3.081,1028 -1,1029 17.35,1030 -2.686,1031 10.424,1032 13.654,1034 20.945,1035 9.918,1036 2.67,1037 10.179,1038 19.141,1039 -3,1040 11.591,1041 15.233,1043 23.307,1044 11.056,1045 2.362,1046 7.678,1047 20.945,1048 4.492,1049 12.604,1050 16.617,1052 25.56,1053 12.012,1054 2.094,1055 6.47,1056 22.759,1057 3.635,1058 13.735,1059 18.149,1061 27.896,1062 13.106,1063 2,1064 5.845,1065 24.583,1066 3.222,1067 14.799,1068 19.592,1070 30.186,1071 14.117,1072 1.834,1073 5.791,1074 26.414,1075 2.811,1076 15.916,1077 21.103,1079 32.511,1080 15.193,1081 1.007,1082 5.321,1083 28.253,1084 2.78,1085 17.006,1086 22.575,1088 34.817,1089 16.232,1090 3775,1091 7095,1092 14.622,1093 22.176,1094 33.109,1095 33.328,1096 33.749,1097 32.958,1098 32.766,1099 45.629,1100 0.8,1101 93.935,1102 30.47,1103 5.294,1104 5.128,1105 5.917,1106 5.105,1107 5.081,1108 7.492,1109 0.8,1110 17.073,1111 4.93,1112 9.542,1113 1.505,1114 1.515,1115 1.534,1116 1.498,1117 1.489,1118 2.074,1119 0.036,1120 4.27,1121 1.385,1122 4.053,1123 4.097,1124 4.045,1125 3.923,1126 5.325,1127 3.942,1128 3.88,1129 3.909,1130 3.962,1131 3.812,1132 4.992,1133 3.81,1134 3.465,1135 3.535,1136 3.475,1137 3.264,1138 4.953,1139 3.292,1140 3.117,1141 3.229,1142 3.272,1143 2.892,1144 4.787,1145 2.901,1146 3.036,1147 3.108,1148 3.008,1149 2.802,1150 4.39,1151 2.833,1152 2.854,1153 2.925,1154 2.759,1155 2.735,1156 4.171,1157 2.715,1158 2.695,1159 2.771,1160 2.687,1161 2.53,1162 3.908,1163 2.536,1164 2.603,1165 2.713,1166 2.432,1167 2.26,1168 3.674,1169 2.289,1170 0.206,1171 0.142,1172 0.296,1173 0.183,1174 0.14,1175 4.542,1176 0.204,1177 3.128,1178 0.018,1179 6.503,1180 0.463,1181 4.032,1182 0.133,1183 3.081,1184 4.492,1185 0.4,1186 10.179,1187 2.93,1188 1.968,1189 1.932,1190 2.025,1191 2.121,1192 1.091,1193 2.094,1194 1.86,1195 1.834,1196 1.941,1197 1.952,1198 1.018,1199 1.958,1200 1.378,1201 1.316,1202 1.512,1203 1.619,1204 0.438,1205 1.597,1206 1.013,1207 0.934,1208 1.273,1209 1.383,1210 0.218,1211 1.364,1212 0.953,1213 0.876,1214 1.181,1215 1.208,1216 0.172,1217 1.202,1218 0.886,1219 0.821,1220 1.134,1221 1.062,1223 1.107,1224 0.64,1225 0.579,1226 0.921,1227 0.924,1229 0.937,1230 0.521,1231 0.396,1232 0.787,1233 0.813,1235 0.816,1236 3.807,1238 5.13,1240 6.648,1242 8.258,1244 9.916,1247 5.84,1250 11.343,1253 3.153,1262 21.536,1263 51.911,1264 100.196,1265 126.07,1266 141.58,1267 141.58,1268 141.58,1269 23.287,1270 6.749,1271 102.74,1272 102.74,1273 18,1274 12.14,1275 4.17,1276 3.248,1277 30.089,1278 63,1279 64,1280 0.241,1281 138.97,1282 223.77,1283 330.847,1284 6887,1285 3.2,1286 14.113,1287 0.706,1288 0.555,1289 14.613,1290 11.094,1291 9.614,1292 0.437,1293 0.283,1294 5.789,1295 8.98,1296 5.657,1297 4.689,1298 9.903,1299 6.218,1300 9.018,1301 0.291,1302 0.148,1303 9.427,1304 4.6,1305 7.169,1306 0.184,1307 0.076,1308 7.458,1309 2.955,1310 6.021,1311 0.118,1312 0.038,1313 6.188,1314 1.932,1315 5.051,1316 0.077,1317 0.02,1318 5.286,1319 1.331,1320 0.374,1321 63.071,1322 0.262,1323 19.919,1324 0.668,1325 106,1326 318.096,1327 132.066,1328 348.969,1329 474.37,1330 324,1331 123,1332 340.257,1333 142.833,1334 355.565,1335 517.47,1336 335,1337 6.086}
{0 CHEMBL138265,1 1.74,2 10.857,3 3.316,4 10.996,5 111.696,6 8.078,7 0.567,8 4.025,9 4.143,10 3.647,11 3.478,12 5.216,13 3.489,14 4.524,15 4.7,16 4.013,17 3.837,18 5.651,19 3.839,20 4.636,21 4.765,22 4.236,23 4.045,24 5.815,25 4.03,26 4.852,27 5.023,28 4.318,29 4.148,30 6.031,31 4.093,32 4.983,33 5.178,34 4.017,35 4.147,36 6.023,37 4.037,38 4.894,39 5.129,40 3.905,41 4.033,42 5.847,43 3.903,44 4.885,45 5.168,46 3.768,47 3.907,48 5.787,49 3.781,50 4.622,51 4.857,52 3.83,53 3.743,54 5.645,55 3.67,56 0.119,57 0.73,58 9.628,59 4.081,60 13.084,61 5.208,62 0.498,63 1.067,64 20.307,65 6.741,66 34.969,67 8.519,68 0.484,69 1.263,70 20.557,71 7.636,72 24.861,73 9.833,74 0.56,75 1.406,76 30.091,77 10.169,78 47.517,79 13.483,80 0.969,81 1.436,82 41.43,83 11.738,84 69.049,85 14.889,86 0.575,87 1.357,88 32.088,89 10.817,90 48.415,91 15.15,92 0.763,93 1.225,94 39.133,95 9.894,96 63.785,97 14.255,98 0.559,99 1.005,100 26.646,101 7.964,102 39.707,103 10.949,104 59,105 43,106 0.294,107 0.631,108 0.735,109 0.778,110 0.787,111 0.815,112 3.375,113 0.878,114 -3.42,115 -3.4,116 -3.25,119 38,124 4,125 1,139 4,140 2,141 5,143 1,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 7,172 3,173 3,175 1,178 3,180 1,181 2,182 10,189 2,192 1,193 6,195 1,196 1,197 1,198 4,200 2,201 2,204 4,205 1,206 4,207 1,209 1,210 1,212 2,215 5,218 2,220 1,226 1,229 6,231 1,234 4,236 1,237 1,239 1,243 1,246 11,251 2,256 2,260 3,265 1,270 1,273 1148,274 18.696,275 18.696,276 18.696,277 18.696,278 18.696,279 16.587,280 26.637,281 10.603,282 19.568,283 14.56,284 14.56,285 14.56,286 14.56,287 14.56,288 11.164,289 36.671,290 4.7,291 15.745,292 3.904,293 1.911,294 1.296,295 1.041,296 0.986,297 0.82,298 4.05,299 1,301 1,302 1,303 636,304 3.464,307 248.189,311 131.004,314 1.592,315 28.144,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 61.833,327 304,328 4.668,329 3.474,330 6.882,331 4.19,332 3.244,333 4.622,334 0.916,335 11.394,336 3.058,337 4.422,338 3.375,339 6.524,340 4.011,341 3.064,342 4.105,343 0.86,344 10.264,345 2.899,346 4.017,347 2.964,348 6.168,349 3.662,350 2.731,351 3.484,352 0.86,353 8.934,354 2.537,355 3.599,356 2.615,357 5.359,358 3.228,359 2.285,360 2.919,361 0.86,362 6.882,363 2.154,364 3.455,365 2.555,366 5.19,367 3.009,368 2.072,369 2.859,370 0.172,371 6.118,372 1.922,373 3.41,374 2.292,375 5.133,376 2.972,377 2.061,378 2.736,380 6.066,381 1.88,382 3.355,383 2.069,384 5.043,385 2.94,386 1.994,387 2.604,389 5.818,390 1.867,391 2.782,392 2.017,393 4.605,394 2.411,395 1.54,396 1.849,398 4.259,399 1.294,400 2.546,401 1.928,402 3.987,403 2.143,404 1.21,405 1.559,407 3.063,408 1.11,409 2.178,410 1.313,411 3.729,412 1.947,413 1.101,414 1.164,415 2.31,416 0.922,417 1.576,418 1.016,419 2.973,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.446,426 0.916,427 2.859,428 1.186,429 0.342,430 0.364,431 0.462,432 0.286,433 1.374,434 0.523,435 2.822,436 0.976,437 0.058,438 0.073,439 0.14,440 0.05,441 1.188,442 0.289,443 2.67,444 0.758,445 -0.114,446 -0.139,448 -0.291,449 -0.084,450 1.014,451 0.09,452 2.496,453 0.662,454 -0.221,455 -0.259,457 -0.468,458 -0.196,459 13.214,460 0.472,461 0.784,462 0.028,463 38,464 1.357,465 19,466 0.679,467 19,468 0.679,469 23.254,470 0.831,471 31.186,472 0.624,473 30.678,474 1.096,475 7.903,476 0.282,477 5.485,478 0.196,479 0.266,481 0.409,485 0.966,486 1.452,487 0.665,488 1.103,489 1.082,490 0.944,491 1.264,492 0.73,493 0.657,494 0.559,495 0.788,496 0.561,497 0.885,498 1.317,499 0.845,500 1.061,501 0.848,502 0.991,503 0.782,504 1.289,505 0.976,506 1.266,507 0.639,508 1.151,509 1.455,510 0.908,511 1.621,512 1.191,513 1.477,514 1.262,515 0.797,516 1.175,517 0.875,518 1.154,519 0.74,520 1.186,521 1.065,522 0.631,523 1.071,524 0.75,525 1.053,526 0.803,527 0.856,528 0.982,529 0.718,530 0.949,531 0.623,532 0.879,533 6.5,534 0.206,535 3.556,536 3.25,537 2.373,538 1.25,539 0.567,540 0.542,541 0.283,542 0.298,543 8798,544 27944,545 1.972,546 44,548 18,551 4,555 1.712,556 1.787,557 3.382,558 1.733,559 1,560 1,564 87.01,565 1.74,566 3.733,567 4.348,568 4.603,569 4.658,570 4.823,571 2.856,572 4.28,573 4.782,574 3.537,575 1336.99,576 8.32,577 17355.5,579 1,581 1,582 282.193,583 1.56,584 4.702,585 0.217,586 0.009,587 0.083,588 0.065,589 0.048,590 0.034,591 0.018,592 0.019,593 0.009,594 0.011,595 0.513,596 0.17,597 1,598 1.017,599 139.622,600 -0.118,601 -0.198,602 0.02,603 -0.09,604 -0.216,605 -0.006,606 -0.125,607 0.36,608 0.168,609 0.406,610 0.082,611 0.37,612 0.071,613 -0.122,614 0.026,615 -0.03,616 -0.017,617 -0.045,618 0.132,619 -0.219,620 0.055,621 -0.213,622 0.257,623 -0.157,624 -0.255,625 0.052,626 -0.426,627 -0.154,628 -0.385,629 -0.285,630 0.003,631 -0.227,632 -0.02,633 -0.158,634 0.023,635 -0.167,636 -0.13,637 0.245,638 0.017,639 0.205,640 -0.105,641 0.2,642 0.107,643 -0.067,644 0.219,645 0.041,646 0.219,647 0.131,648 1.556,649 2.502,650 0.571,651 23.857,652 1.015,653 1.136,654 2.194,655 4.812,656 0.662,657 3.434,658 3.784,659 4.094,660 4.382,661 4.554,662 4.635,663 4.663,664 4.762,665 4.762,666 4.82,667 6.355,668 0.636,669 403.91,670 3.434,671 4.99,672 5.861,673 6.763,674 7.646,675 8.552,676 9.439,677 10.345,678 11.234,679 12.141,680 10,684 2,686 1,690 2,694 2,695 4,696 2,700 8,702 17,711 2,714 1,716 3,717 1,718 50,719 17,720 2,721 30,723 52,724 19,725 14,726 8,727 4,729 3,730 4,731 1,741 14,742 5,754 1,757 22,758 8,759 4,760 9,761 1,764 5,769 0.667,770 3,776 1,781 3,785 1,802 2,806 4,807 1,810 28,811 2,816 1,818 3,821 1,828 1,829 6,834 3,836 15.667,837 10.243,838 6.361,839 2.488,840 3.358,841 1.455,842 0.965,843 6.222,844 10.736,845 3.676,846 4.344,847 4.99,848 5.61,849 6.16,850 6.472,851 6.758,852 7.106,853 7.427,854 7.603,855 1,856 50,857 10.246,859 4.218,860 7.813,861 19.178,863 14.965,865 2.313,866 64.778,868 1,869 1,870 211.88,871 115.174,872 102.49,873 39.149,874 33,877 115.174,878 284.028,879 102.49,880 41.046,881 2.106,882 103.699,883 33.571,884 66.014,885 4.227,886 211.88,887 39.149,888 211.88,889 217.663,890 33,891 39.149,893 211.88,894 33,897 6.149,898 177.943,899 72.72,901 211.88,902 135.489,903 154.322,906 211.88,907 36.223,908 82.075,910 171.514,911 211.88,912 135.489,913 154.322,915 0.582,916 0.368,917 0.211,918 0.106,919 20,920 11,921 0.115,922 6,923 1,924 1.125,925 3.734,926 244.51,927 0.125,928 16,929 126.606,933 20.575,934 8.467,935 4.019,936 1.171,937 135.489,938 7.473,939 8.189,943 4.27,945 65.794,946 501.691,947 38.5,956 50.767,957 56.801,958 0.308,959 0.661,960 0.77,961 0.816,962 0.825,963 0.855,964 4.929,965 1.54,966 5.878,967 5.818,968 4.466,969 5.03,970 1.938,971 6.746,972 4.32,973 6.172,974 1.21,975 7.48,976 4.259,977 4.205,978 5.047,979 0.325,980 7.766,981 3.993,982 7.514,983 1.101,984 9.18,985 3.063,986 6.12,987 7.344,988 1.656,989 10.883,990 5.867,991 8.893,992 0.396,993 10.934,994 2.31,995 6.635,996 8.14,997 0.393,998 12.691,999 6.304,1000 10.301,1001 0.342,1002 12.723,1003 0.603,1004 8.06,1005 9.963,1006 1.418,1007 15.349,1008 7.7,1009 11.731,1010 0.058,1011 14.537,1012 0.462,1013 8.927,1014 11.128,1015 0.384,1016 17.495,1017 8.489,1018 13.177,1019 -0.114,1020 16.368,1021 0.14,1022 10.172,1023 12.764,1024 1.207,1025 19.993,1026 9.7,1027 3.244,1028 -0.221,1029 18.214,1030 -0.291,1031 11.199,1032 14.11,1033 0.351,1034 22.285,1035 10.653,1036 3.064,1037 11.394,1038 20.071,1039 -0.468,1040 12.378,1041 15.67,1042 1.019,1043 24.724,1044 11.791,1045 2.731,1046 10.264,1047 21.937,1048 4.622,1049 13.475,1050 17.104,1051 0.312,1052 27.081,1053 12.821,1054 2.285,1055 8.934,1056 23.811,1057 4.105,1058 14.634,1059 18.634,1060 0.852,1061 29.501,1062 13.931,1063 2.072,1064 6.882,1065 25.692,1066 3.484,1067 15.762,1068 20.11,1069 0.273,1070 31.888,1071 14.997,1072 2.061,1073 6.118,1074 27.577,1075 2.919,1076 16.916,1077 21.63,1078 0.706,1079 34.303,1080 16.098,1081 1.994,1082 6.066,1083 29.467,1084 2.859,1085 18.06,1086 23.127,1087 0.236,1088 36.705,1089 17.182,1090 8761,1091 15746,1092 19.016,1093 33.103,1094 44.291,1095 45.967,1096 48.121,1097 44.231,1098 44.199,1099 57.577,1100 7.338,1101 132.624,1102 40.642,1103 5.506,1104 5.474,1105 6.425,1106 5.262,1107 5.244,1108 7.622,1109 1.776,1110 18.835,1111 5.058,1112 18.029,1113 1.476,1114 1.532,1115 1.604,1116 1.474,1117 1.473,1118 1.919,1119 0.245,1120 4.421,1121 1.355,1122 4.082,1123 4.112,1124 4.14,1125 3.992,1126 5.316,1127 4.002,1128 3.937,1129 3.95,1130 3.903,1131 3.843,1132 4.991,1133 3.854,1134 3.576,1135 3.643,1136 3.591,1137 3.356,1138 4.972,1139 3.387,1140 3.336,1141 3.401,1142 3.362,1143 3.123,1144 4.843,1145 3.14,1146 3.303,1147 3.355,1148 3.192,1149 3.006,1150 4.58,1151 3.026,1152 3.22,1153 3.297,1154 3.144,1155 2.957,1156 4.465,1157 2.961,1158 3.161,1159 3.25,1160 3.012,1161 2.911,1162 4.441,1163 2.917,1164 3.133,1165 3.235,1166 2.938,1167 2.886,1168 4.29,1169 2.881,1170 0.156,1171 0.116,1172 0.229,1173 0.14,1174 0.108,1175 4.668,1176 0.154,1177 3.474,1178 0.031,1179 6.882,1180 0.38,1181 4.19,1182 0.102,1183 3.244,1184 4.622,1185 0.916,1186 11.394,1187 3.058,1188 2.011,1189 1.988,1190 2.054,1191 2.123,1192 1.229,1193 2.107,1194 1.888,1195 1.876,1196 1.967,1197 2.009,1198 1.127,1199 1.994,1200 1.488,1201 1.424,1202 1.692,1203 1.747,1204 0.786,1205 1.731,1206 1.277,1207 1.215,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.571,1215 1.533,1216 0.581,1217 1.541,1218 1.175,1219 1.09,1220 1.543,1221 1.501,1222 0.567,1223 1.517,1224 1.143,1225 1.052,1226 1.469,1227 1.425,1228 0.441,1229 1.461,1230 1.038,1231 0.964,1232 1.279,1233 1.384,1234 0.387,1235 1.367,1236 4.111,1238 5.451,1240 7.002,1242 8.656,1244 10.363,1246 6.657,1247 6.613,1250 11.67,1252 0.539,1254 16.211,1257 1.984,1262 31.82,1263 87.01,1264 186.625,1265 217.399,1266 230.154,1267 232.909,1268 241.173,1269 49.836,1270 7.378,1271 108.75,1272 108.75,1273 18,1274 12.662,1275 4.17,1276 3.248,1277 49.688,1278 108,1279 100,1280 0.229,1281 201.719,1282 342.94,1283 483.953,1284 15058,1285 2,1286 20.422,1287 0.729,1288 0.603,1289 20.922,1290 16.871,1291 13.388,1292 0.446,1293 0.293,1294 8.226,1295 12.355,1296 7.859,1297 6.607,1298 13.676,1299 8.782,1300 11.951,1301 0.278,1302 0.152,1303 12.284,1304 6.527,1305 10.273,1306 0.174,1307 0.081,1308 10.68,1309 4.764,1310 9.228,1311 0.117,1312 0.044,1313 9.775,1314 3.501,1315 6.676,1316 0.071,1317 0.023,1318 6.89,1319 2.12,1320 0.357,1321 88.901,1322 0.229,1323 26.43,1324 0.637,1325 146,1326 480.97,1327 178.62,1328 485.431,1329 653.88,1330 454,1331 175,1332 458.288,1333 207.003,1334 478.625,1335 699.49,1336 442,1337 7.42}
{0 CHEMBL138419,1 1.472,2 10.043,3 3.231,4 10.437,5 91.182,6 8.172,7 0.846,8 3.75,9 3.883,10 3.398,11 3.327,12 4.971,13 3.33,14 4.185,15 4.333,16 3.773,17 3.705,18 5.42,19 3.687,20 4.421,21 4.617,22 3.799,23 3.802,24 5.571,25 3.765,26 4.4,27 4.614,28 3.63,29 3.709,30 5.516,31 3.637,32 4.342,33 4.582,34 3.446,35 3.57,36 5.442,37 3.482,38 4.215,39 4.482,40 3.231,41 3.418,42 5.174,43 3.322,44 3.995,45 4.228,46 3.241,47 3.326,48 5.034,49 3.253,50 3.914,51 4.126,52 3.165,53 3.249,54 5.038,55 3.195,56 0.057,57 0.62,58 6.351,59 2.62,60 10.655,61 3.216,62 0.142,63 0.952,64 10.266,65 4.69,66 17.177,67 6.04,68 0.223,69 1.146,70 15.084,71 5.478,72 25.019,73 7.173,74 0.155,75 1.071,76 15.521,77 6.002,78 25.166,79 8.15,80 0.26,81 0.991,82 15.756,83 5.449,84 33.44,85 7.459,86 0.194,87 0.827,88 15.191,89 4.964,90 25.958,91 6.978,92 0.1,93 0.686,94 11.172,95 4.371,96 15.093,97 6.108,98 0.127,99 0.663,100 9.48,101 3.182,102 18.121,103 4.177,104 5,105 37,106 0.259,107 0.53,108 0.703,109 0.848,110 0.871,111 0.89,112 3.189,113 0.824,114 -5.02,115 -4.92,116 -4.61,119 45.9,139 9,140 2,141 1,143 2,144 2,147 1,157 2,158 2,159 2,166 10,169 1,170 2,172 3,173 4,175 3,178 12,181 2,182 2,184 1,185 1,187 3,189 10,193 3,195 1,196 1,197 1,198 4,200 2,201 6,204 2,205 1,207 3,209 1,210 3,211 1,212 4,214 1,215 5,218 2,221 2,226 1,229 4,234 6,238 1,239 2,240 1,241 4,243 2,246 5,251 2,254 3,256 2,260 4,265 4,268 1,270 4,273 657,274 15.687,275 15.687,276 15.687,277 15.687,278 15.687,279 13.084,280 15.811,281 9.2,282 15.98,283 12.876,284 12.876,285 12.876,286 12.876,287 12.876,288 9.004,289 25,290 4.424,291 13.387,292 3.738,293 2.201,294 1.224,295 0.399,296 0.27,297 0.162,298 3.892,300 1,301 1,302 1,303 515,304 2.236,307 215.482,311 183.012,314 1.44,315 16.251,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49,327 231,328 4.543,329 3.129,330 6.503,331 4.035,332 3.083,333 4.492,334 0.4,335 10.179,336 2.94,337 4.407,338 2.959,339 6.185,340 3.919,341 2.926,342 4.336,344 9.239,345 2.902,346 3.844,347 2.637,348 5.514,349 3.442,350 2.498,351 3.302,353 7.465,354 2.359,355 3.565,356 2.255,357 5.077,358 3.099,359 2.158,360 2.989,362 6.141,363 2.033,364 3.425,365 2.1,366 5.053,367 2.95,368 2.01,369 2.811,371 5.796,372 1.881,373 3.3,374 1.937,375 4.893,376 2.825,377 1.873,378 2.626,380 5.543,381 1.776,382 3.118,383 1.618,384 4.41,385 2.618,386 1.618,387 2.427,389 4.356,390 1.618,391 2.888,392 1.407,393 3.71,394 2.396,395 1.398,396 2.076,398 3.002,399 1.394,400 2.452,401 1.058,402 3.617,403 1.954,404 1.007,405 1.432,407 2.565,408 0.951,409 2.19,410 0.731,411 3.199,412 1.703,413 0.708,414 1.042,415 1.641,416 0.704,417 1.589,418 0.388,419 3.022,420 1.195,421 0.258,422 0.331,423 0.674,424 0.241,425 1.203,426 -0.065,427 2.695,428 0.772,429 -0.175,430 -0.232,431 -0.455,432 -0.165,433 0.973,434 -0.299,435 2.528,436 0.48,437 -0.444,438 -0.576,439 -1.149,440 -0.408,441 0.882,442 -0.545,443 2.356,444 0.382,445 -0.618,446 -0.861,448 -1.58,449 -0.618,450 0.733,451 -0.618,452 2.195,453 0.306,454 -0.649,455 -0.927,457 -1.679,458 -0.618,459 10.9,460 0.474,461 0.571,462 0.025,463 37,464 1.609,465 21.5,466 0.935,467 15.5,468 0.674,469 12.659,470 0.55,471 22.7,472 0.614,473 24.667,474 1.072,475 7.306,476 0.318,477 3.881,478 0.169,479 0.073,481 0.367,485 1.178,486 1.085,487 0.757,488 0.776,489 1.34,490 0.716,491 0.481,492 1.021,493 0.717,494 1.014,495 0.431,496 0.924,497 1.114,498 0.985,499 1.002,500 0.942,501 0.892,502 0.952,503 0.86,504 1.188,505 1.041,506 1.214,507 0.722,508 1.167,509 1.02,510 0.898,511 1.163,512 1.06,513 1.163,514 1.119,515 1.19,516 0.81,517 1.037,518 0.825,519 1.074,520 0.891,521 0.606,522 0.956,523 0.758,524 0.951,525 0.479,526 0.893,527 1.458,528 0.997,529 1.185,530 0.945,531 1.411,532 1.007,533 5,534 0.066,535 2.222,536 1.5,537 1.533,538 0.382,539 0.484,540 0.174,541 0.209,542 0.169,543 6158,544 16344,545 2.168,546 37.8,548 9,551 5,555 1.653,556 2.06,557 3.304,558 2.675,559 1,560 1,562 1,564 54.45,565 1.472,566 3.009,567 3.986,568 4.811,569 4.939,570 5.047,571 2.736,572 4.524,573 4.499,574 3.415,575 863.927,576 7.723,577 9730.92,578 1,579 1,580 1,581 1,582 192.75,583 1.302,584 4.469,585 0.192,586 0.006,587 0.06,588 0.041,589 0.051,590 0.016,591 0.024,592 0.008,593 0.011,594 0.011,595 0.419,596 0.17,597 1,598 0.503,599 107.627,600 -0.241,601 0.036,602 0.003,603 0.132,604 -0.387,605 0.11,606 0.38,607 0.048,608 0.081,609 -0.073,610 0.289,611 -0.049,612 -0.058,613 0.063,614 -0.101,615 -0.017,616 -0.057,617 -0.056,618 0.05,619 -0.22,620 -0.095,621 -0.239,622 0.143,623 -0.2,624 0.047,625 0.078,626 -0.16,627 -0.102,628 -0.085,629 -0.151,630 -0.188,631 0.11,632 0.028,633 0.176,634 -0.164,635 0.143,636 0.175,637 -0.048,638 0.233,639 0.082,640 0.288,641 0.15,642 -0.37,643 0.033,644 -0.248,645 -0.017,646 -0.346,647 -0.094,648 1.521,649 1.872,650 0.87,651 17.595,652 1.004,653 1.126,654 3.785,655 14.328,656 0.705,657 3.296,658 3.638,659 3.912,660 4.205,661 4.466,662 4.477,663 4.595,664 4.71,665 4.86,666 4.836,667 5.795,668 0.682,669 302.37,670 3.296,671 4.844,672 5.7,673 6.586,674 7.455,675 8.342,676 9.216,677 10.102,678 10.979,679 11.864,680 16.2,684 2,688 1,690 3,694 4,695 9,696 3,700 4,702 22,711 2,712 1,718 37,719 22,720 2,721 26,723 40,724 17,725 17,726 3,727 7,729 4,730 6,741 17,753 1,754 1,757 14,758 6,759 5,760 6,764 6,769 0.5,775 1,776 1,781 4,785 2,802 2,810 23,811 2,817 1,836 11.167,837 6.517,838 4.917,839 2.001,840 4.537,841 1.608,842 1.08,843 3.21,844 12.001,845 3.638,846 4.344,847 5.002,848 5.663,849 6.297,850 6.587,851 7.007,852 7.447,853 7.916,854 8.066,855 0.857,856 37,857 8.404,859 3.611,860 7.71,861 15.925,863 13.119,865 2.21,866 50.833,870 105.94,871 104.032,872 134.162,877 104.032,878 105.94,879 134.162,882 151.081,883 50.357,884 30.202,885 6.555,886 105.94,888 105.94,889 238.194,893 105.94,897 24.198,898 163.639,899 50.357,901 105.94,902 134.162,903 104.032,906 105.94,907 18.746,908 85.286,909 18.011,910 116.151,911 105.94,912 134.162,913 104.032,915 0.587,916 0.341,917 0.192,918 0.108,919 20,920 8,921 0.05,922 2,923 2,924 1.2,925 3.605,926 189.317,927 0.2,928 20,929 104.042,933 13.733,934 5.376,935 2.625,936 3.51,937 134.162,938 17.998,939 12.541,943 2.042,945 83.805,946 344.134,947 37,956 37.145,957 41.651,958 0.282,959 0.578,960 0.765,961 0.923,962 0.948,963 0.969,964 4.856,965 1.398,966 5.687,967 4.356,968 4.317,969 5.03,970 0.278,971 6.491,972 4.242,973 6.099,974 1.007,975 7.236,976 3.002,977 3.892,978 4.913,980 7.322,981 3.768,982 7.423,983 0.708,984 8.88,985 2.565,986 5.905,987 7.368,988 0.05,989 10.421,990 5.759,991 8.783,992 0.258,993 10.578,994 1.641,995 6.256,996 8.055,998 12.058,999 6.066,1000 10.172,1001 -0.175,1002 12.312,1003 0.674,1004 7.754,1005 9.981,1006 0.008,1007 14.665,1008 7.544,1009 11.581,1010 -0.444,1011 14.07,1012 -0.455,1013 8.489,1014 11.076,1016 16.663,1017 8.241,1018 13.008,1019 -0.618,1020 15.846,1021 -1.149,1022 9.762,1023 12.764,1024 0.001,1025 19.083,1026 9.492,1027 3.083,1028 -0.649,1029 17.637,1030 -1.58,1031 10.69,1032 14.065,1034 21.247,1035 10.384,1036 2.926,1037 10.179,1038 19.44,1039 -1.679,1040 11.865,1041 15.644,1043 23.593,1044 11.534,1045 2.498,1046 9.239,1047 21.252,1048 4.492,1049 12.887,1050 17.045,1052 25.831,1053 12.52,1054 2.158,1055 7.465,1056 23.072,1057 4.336,1058 14.02,1059 18.574,1061 28.15,1062 13.624,1063 2.01,1064 6.141,1065 24.898,1066 3.302,1067 15.087,1068 20.022,1070 30.422,1071 14.656,1072 1.873,1073 5.796,1074 26.73,1075 2.989,1076 16.204,1077 21.529,1079 32.731,1080 15.741,1081 1.618,1082 5.543,1083 28.566,1084 2.811,1085 17.293,1086 23,1088 35.02,1089 16.793,1090 5725,1091 9463,1092 17.8,1093 26.08,1094 39.334,1095 39.083,1096 39.747,1097 39.117,1098 39.076,1099 55.727,1100 0.8,1101 113.206,1102 37.598,1103 5.299,1104 5.129,1105 6.19,1106 5.107,1107 5.083,1108 7.492,1109 0.8,1110 17.073,1111 4.94,1112 8.532,1113 1.513,1114 1.503,1115 1.529,1116 1.504,1117 1.503,1118 2.143,1119 0.031,1120 4.354,1121 1.446,1122 4.102,1123 4.134,1124 4.064,1125 4.045,1126 5.325,1127 4.043,1128 4.012,1129 4.048,1130 3.983,1131 3.891,1132 4.991,1133 3.913,1134 3.55,1135 3.611,1136 3.487,1137 3.418,1138 4.92,1139 3.422,1140 3.392,1141 3.45,1142 3.309,1143 3.232,1144 4.779,1145 3.25,1146 3.116,1147 3.229,1148 3.01,1149 2.964,1150 4.382,1151 2.953,1152 3.06,1153 3.119,1154 2.945,1155 2.822,1156 4.185,1157 2.859,1158 2.897,1159 2.979,1160 2.787,1161 2.695,1162 3.912,1163 2.711,1164 2.631,1165 2.743,1166 2.504,1167 2.491,1168 3.863,1169 2.487,1170 0.175,1171 0.12,1172 0.25,1173 0.155,1174 0.119,1175 4.543,1176 0.173,1177 3.129,1178 0.015,1179 6.503,1180 0.392,1181 4.035,1182 0.113,1183 3.083,1184 4.492,1185 0.4,1186 10.179,1187 2.94,1188 2.073,1189 2.052,1190 2.156,1191 2.148,1192 1.282,1193 2.147,1194 1.95,1195 1.914,1196 2,1197 2.09,1198 1.053,1199 2.072,1200 1.512,1201 1.467,1202 1.662,1203 1.691,1204 0.71,1205 1.679,1206 1.346,1207 1.288,1208 1.5,1209 1.539,1210 0.43,1211 1.544,1212 1.074,1213 1.025,1214 1.293,1215 1.383,1216 0.357,1217 1.364,1218 1.004,1219 0.906,1220 1.273,1221 1.225,1222 0.105,1223 1.249,1224 0.843,1225 0.768,1226 1.071,1227 1.099,1228 0.004,1229 1.104,1230 0.627,1231 0.563,1232 0.942,1233 0.914,1235 0.926,1236 3.97,1238 5.303,1240 6.841,1242 8.473,1244 10.153,1250 11.466,1253 3.277,1262 25.236,1263 54.45,1264 111.327,1265 147.466,1266 177.995,1267 182.75,1268 186.75,1269 24.747,1270 7.465,1271 102.74,1272 102.74,1273 24,1274 12.398,1275 4.524,1276 3.585,1277 32.013,1278 81,1279 70,1280 0.196,1281 155.758,1282 249.22,1283 371.811,1284 18016,1286 15.811,1287 0.687,1288 0.53,1289 15.811,1290 12.192,1291 11.187,1292 0.43,1293 0.275,1294 7.064,1295 10.862,1296 6.932,1297 5.757,1298 11.187,1299 7.145,1300 10.376,1301 0.28,1302 0.141,1303 10.376,1304 5.218,1305 8.682,1306 0.177,1307 0.074,1308 8.682,1309 3.608,1310 7.641,1311 0.116,1312 0.038,1313 7.641,1314 2.54,1315 6.394,1316 0.074,1317 0.02,1318 6.394,1319 1.737,1320 0.307,1321 69.33,1322 0.237,1323 22.574,1324 0.536,1325 126,1326 333.893,1327 136.546,1328 339.361,1329 481.88,1330 318,1331 149,1332 377.394,1333 159.075,1334 386.223,1335 564.94,1336 365,1337 5.699}
{0 CHEMBL138452,1 1.721,2 10.16,3 2.273,4 5.167,5 94.121,6 7.963,7 0.63,8 3.897,9 4.019,10 3.504,11 3.3,12 5.14,13 3.343,14 4.363,15 4.528,16 3.844,17 3.622,18 5.576,19 3.661,20 4.453,21 4.599,22 3.97,23 3.756,24 5.711,25 3.79,26 4.565,27 4.728,28 3.936,29 3.811,30 5.782,31 3.802,32 4.704,33 4.903,34 3.752,35 3.805,36 5.82,37 3.754,38 4.639,39 4.883,40 3.522,41 3.707,42 5.628,43 3.608,44 4.531,45 4.819,46 3.49,47 3.556,48 5.455,49 3.464,50 4.292,51 4.524,52 3.42,53 3.389,54 5.367,55 3.366,56 0.148,57 0.66,58 8.292,59 3.104,60 13.294,61 4.03,62 0.481,63 0.939,64 16.152,65 5.176,66 34.647,67 6.602,68 0.551,69 1.096,70 15.964,71 5.046,72 31.941,73 6.731,74 0.5,75 1.14,76 18.379,77 6.558,78 32.725,79 8.915,80 0.787,81 1.149,82 24.308,83 7.189,84 56.603,85 9.538,86 0.636,87 1.039,88 23.857,89 6.876,90 46.228,91 10.162,92 0.481,93 0.885,94 23.473,95 6.888,96 38.874,97 10.735,98 0.404,99 0.768,100 16.41,101 4.224,102 33.218,103 6.308,104 35,105 38,106 0.3,107 0.616,108 0.71,109 0.762,110 0.773,111 0.806,112 3.267,113 0.813,114 -2.68,115 -2.69,116 -2.62,119 37.2,124 3,139 4,141 4,143 2,144 2,147 1,157 2,158 2,159 2,166 1,169 1,170 4,172 3,173 4,175 3,178 1,181 4,182 4,184 1,185 1,187 1,192 1,193 5,195 1,196 3,197 1,198 2,200 2,201 2,204 2,205 1,207 1,209 1,210 4,211 1,212 2,214 1,215 2,218 2,220 2,221 2,233 1,234 7,238 1,239 2,240 1,243 2,246 1,259 4,262 2,263 2,265 2,270 2,273 829,274 16.936,275 16.936,276 16.936,277 16.936,278 16.936,279 14.875,280 25.963,281 9.732,282 17.738,283 13.136,284 13.136,285 13.136,286 13.136,287 13.136,288 9.824,289 39.739,290 4.352,291 14.174,292 3.705,293 1.887,294 1.35,295 1.053,296 0.989,297 0.797,298 3.947,300 1,301 1,302 1,303 534,304 2.915,307 212.087,311 111.697,314 1.446,315 26.17,317 1,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 56,327 254,328 4.544,329 3.375,330 6.525,331 4.043,332 3.094,333 4.492,334 0.86,335 10.269,336 2.936,337 4.42,338 3.122,339 6.501,340 3.995,341 3.05,342 4.106,343 0.86,344 10.172,345 2.876,346 3.824,347 2.704,348 5.53,349 3.431,350 2.5,351 3.268,352 0.86,353 7.51,354 2.325,355 3.523,356 2.555,357 5.19,358 3.079,359 2.148,360 2.877,361 0.4,362 6.168,363 1.999,364 3.424,365 2.28,366 5.086,367 2.972,368 2.061,369 2.811,371 6.118,372 1.88,373 3.355,374 2.118,375 5.056,376 2.948,377 2.008,378 2.604,380 5.796,381 1.867,382 3.273,383 2.009,384 4.906,385 2.808,386 1.86,387 2.578,389 5.559,390 1.756,391 2.452,392 1.862,393 3.782,394 1.974,395 1.145,396 1.432,398 2.565,399 0.957,400 2.201,401 1.058,402 3.708,403 1.948,404 1.006,405 1.187,407 2.399,408 0.932,409 1.582,410 1.02,411 3.016,412 1.27,413 0.396,414 0.452,415 0.711,416 0.342,417 1.576,418 0.916,419 2.859,420 1.243,421 0.374,422 0.415,423 0.603,424 0.32,425 1.403,426 0.438,427 2.69,428 1.104,429 0.213,430 0.257,431 0.359,432 0.191,433 1.082,434 0.129,435 2.525,436 0.712,437 -0.206,438 -0.255,439 -0.453,440 -0.187,441 0.957,442 -0.213,443 2.486,444 0.475,445 -0.445,446 -0.572,448 -1.126,449 -0.407,450 0.661,451 -0.306,452 2.297,453 0.276,454 -0.627,455 -0.73,457 -1.392,458 -0.556,459 11.4,460 0.456,461 0.622,462 0.025,463 36.5,464 1.46,465 19,466 0.76,467 17.5,468 0.7,469 16.641,470 0.666,471 27.6,472 0.642,473 27.751,474 1.11,475 7.584,476 0.303,477 4.466,478 0.179,479 0.202,481 0.395,485 1.065,486 1.454,487 0.771,488 1.169,489 1.219,490 0.923,491 1.287,492 0.914,493 0.727,494 0.742,495 0.839,496 0.648,497 0.997,498 1.158,499 0.9,500 0.986,501 0.913,502 0.911,503 0.816,504 1.357,505 0.952,506 1.353,507 0.688,508 1.218,509 1.445,510 0.928,511 1.339,512 1.056,513 1.332,514 1.178,515 1.008,516 0.938,517 1.201,518 1.062,519 1.007,520 1.158,521 0.564,522 0.827,523 0.599,524 0.829,525 0.414,526 0.744,527 1.213,528 0.965,529 1.038,530 0.896,531 1.282,532 0.896,533 6,534 0.136,535 2.667,536 2.313,537 1.942,538 0.764,539 0.546,540 0.248,541 0.349,542 0.255,543 6647,544 21009,545 2.015,546 41.9,548 13,551 5,555 1.68,556 1.852,557 3.303,558 2.686,559 1,560 1,562 1,564 74.006,565 1.721,566 3.539,567 4.077,568 4.373,569 4.437,570 4.629,571 2.713,572 4.164,573 4.618,574 3.439,575 1031.71,576 7.986,577 12394.6,579 1,581 1,582 233.329,583 1.516,584 4.555,585 0.222,586 0.009,587 0.07,588 0.055,589 0.05,590 0.025,591 0.023,592 0.01,593 0.015,594 0.012,595 0.49,596 0.17,597 1,598 1.017,599 120.099,600 -0.177,601 -0.208,602 0.027,603 -0.098,604 -0.298,605 0.011,606 -0.103,607 0.155,608 0.207,609 0.271,610 0.099,611 0.289,612 0.041,613 0.042,614 -0.04,615 0.005,616 -0.026,617 -0.019,618 0.119,619 -0.252,620 -0.075,621 -0.307,622 0.167,623 -0.253,624 -0.259,625 0.053,626 -0.363,627 -0.08,628 -0.287,629 -0.237,630 -0.111,631 -0.003,632 -0.214,633 -0.081,634 -0.18,635 -0.156,636 0.186,637 -0.012,638 0.45,639 0.184,640 0.353,641 0.349,642 -0.234,643 0.02,644 -0.052,645 0.045,646 -0.282,647 0.059,648 1.558,649 1.871,650 0.64,651 20.339,652 1.021,653 1.142,654 1.445,655 2.088,656 0.65,657 3.332,658 3.664,659 3.951,660 4.234,661 4.443,662 4.466,663 4.554,664 4.615,665 4.762,666 4.796,667 5.959,668 0.638,669 342.4,670 3.332,671 4.875,672 5.733,673 6.624,674 7.497,675 8.39,676 9.267,677 10.159,678 11.039,679 11.93,680 14,684 2,688 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 3,718 43,719 17,720 1,721 27,723 45,724 16,725 13,726 4,727 2,729 3,730 4,741 13,742 3,753 1,754 1,757 18,758 9,759 5,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 3,810 25,811 2,817 1,818 3,829 7,834 3,836 13.5,837 8.6,838 5.694,839 2.078,840 3.397,841 1.471,842 0.976,843 4.964,844 10.605,845 3.597,846 4.263,847 4.896,848 5.521,849 6.101,850 6.38,851 6.741,852 7.124,853 7.588,854 7.811,855 0.857,856 42,857 9.113,859 3.748,860 7.86,861 16.889,863 13,865 2.36,866 59,870 153.024,871 99.884,872 134.162,874 33,877 99.884,878 186.024,879 134.162,880 32.649,882 103.699,883 50.357,884 73.786,885 6.555,886 153.024,888 153.024,889 234.046,890 33,893 153.024,894 33,897 24.198,898 159.491,899 50.357,901 153.024,902 167.161,903 99.884,906 153.024,907 29.33,908 70.554,909 18.011,910 149.151,911 153.024,912 167.161,913 99.884,915 0.576,916 0.357,917 0.205,918 0.11,919 18,920 9,921 0.111,922 5,923 1,924 1.125,925 3.578,926 206.469,927 0.125,928 16,929 106.096,933 17.321,934 7.165,935 3.473,936 1.034,937 167.161,938 7.07,939 12.462,943 3.156,945 83.805,946 420.07,947 35.5,956 43.894,957 49.109,958 0.317,959 0.652,960 0.751,961 0.806,962 0.818,963 0.853,964 4.83,965 1.145,966 5.733,967 5.559,968 4.344,969 4.949,970 1.751,971 6.567,972 4.205,973 6.067,974 1.006,975 7.309,976 2.565,977 4.007,978 4.913,980 7.496,981 3.822,982 7.399,983 0.396,984 8.978,985 2.399,986 5.964,987 7.255,988 1.466,989 10.585,990 5.713,991 8.768,992 0.374,993 10.7,994 0.711,995 6.399,996 7.989,998 12.296,999 6.092,1000 10.163,1001 0.213,1002 12.456,1003 0.603,1004 7.848,1005 9.841,1006 1.234,1007 14.913,1008 7.494,1009 11.579,1010 -0.206,1011 14.236,1012 0.359,1013 8.648,1014 10.95,1016 16.969,1017 8.233,1018 13.01,1019 -0.445,1020 16.033,1021 -0.453,1022 9.897,1023 12.597,1024 1.028,1025 19.412,1026 9.438,1027 3.094,1028 -0.627,1029 17.844,1030 -1.126,1031 10.871,1032 13.897,1034 21.621,1035 10.352,1036 3.05,1037 10.269,1038 19.666,1039 -1.392,1040 12.039,1041 15.452,1042 0.845,1043 23.994,1044 11.476,1045 2.5,1046 10.172,1047 21.498,1048 4.492,1049 13.094,1050 16.848,1052 26.268,1053 12.472,1054 2.148,1055 7.51,1056 23.337,1057 4.106,1058 14.231,1059 18.362,1060 0.684,1061 28.613,1062 13.561,1063 2.061,1064 6.168,1065 25.182,1066 3.268,1067 15.323,1068 19.804,1070 30.916,1071 14.596,1072 2.008,1073 6.118,1074 27.033,1075 2.877,1076 16.449,1077 21.302,1078 0.546,1079 33.249,1080 15.672,1081 1.86,1082 5.796,1083 28.887,1084 2.811,1085 17.556,1086 22.767,1088 35.564,1089 16.723,1090 6593,1091 11848,1092 17.512,1093 27.966,1094 39.598,1095 40.908,1096 42.395,1097 39.584,1098 39.714,1099 52.954,1100 5.96,1101 116.459,1102 36.764,1103 5.312,1104 5.375,1105 6.068,1106 5.115,1107 5.094,1108 7.492,1109 1.72,1110 17.19,1111 4.936,1112 14.394,1113 1.467,1114 1.515,1115 1.57,1116 1.466,1117 1.471,1118 1.961,1119 0.221,1120 4.313,1121 1.362,1122 4.057,1123 4.099,1124 4.034,1125 3.922,1126 5.325,1127 3.945,1128 3.912,1129 3.926,1130 3.881,1131 3.801,1132 4.996,1133 3.817,1134 3.481,1135 3.548,1136 3.425,1137 3.266,1138 4.977,1139 3.297,1140 3.303,1141 3.355,1142 3.144,1143 3.006,1144 4.789,1145 3.026,1146 3.253,1147 3.318,1148 3.11,1149 2.995,1150 4.58,1151 3.012,1152 3.192,1153 3.272,1154 3.007,1155 2.894,1156 4.467,1157 2.893,1158 3.114,1159 3.229,1160 2.967,1161 2.818,1162 4.328,1163 2.854,1164 2.907,1165 3.003,1166 2.743,1167 2.675,1168 4.114,1169 2.68,1170 0.168,1171 0.125,1172 0.242,1173 0.15,1174 0.115,1175 4.544,1176 0.166,1177 3.375,1178 0.032,1179 6.525,1180 0.38,1181 4.043,1182 0.109,1183 3.094,1184 4.492,1185 0.86,1186 10.269,1187 2.936,1188 1.966,1189 1.932,1190 2.018,1191 2.122,1192 1.095,1193 2.093,1194 1.851,1195 1.838,1196 1.921,1197 1.988,1198 1.021,1199 1.966,1200 1.384,1201 1.324,1202 1.59,1203 1.644,1204 0.584,1205 1.618,1206 1.227,1207 1.163,1208 1.576,1209 1.558,1210 0.577,1211 1.565,1212 1.196,1213 1.126,1214 1.556,1215 1.513,1216 0.564,1217 1.53,1218 1.155,1219 1.067,1220 1.492,1221 1.454,1222 0.428,1223 1.478,1224 1.005,1225 0.906,1226 1.273,1227 1.383,1228 0.109,1229 1.364,1230 0.854,1231 0.769,1232 1.074,1233 1.136,1234 0.09,1235 1.132,1236 4.007,1238 5.333,1240 6.868,1242 8.504,1244 10.191,1246 4.655,1250 11.463,1253 3.17,1254 15.99,1262 27.434,1263 74.006,1264 152.171,1265 175.29,1266 188.045,1267 190.8,1268 199.065,1269 36.049,1270 7.208,1271 130.43,1272 130.43,1273 18,1274 12.46,1275 4.17,1276 3.248,1277 41.795,1278 91,1279 83,1280 0.231,1281 171.403,1282 286.83,1283 409.983,1284 12078,1286 17.974,1287 0.719,1288 0.561,1289 17.974,1290 14.03,1291 12.05,1292 0.446,1293 0.271,1294 7.115,1295 11.27,1296 6.885,1297 5.79,1298 12.05,1299 7.321,1300 10.639,1301 0.28,1302 0.133,1303 10.639,1304 5.07,1305 9.037,1306 0.177,1307 0.069,1308 9.037,1309 3.524,1310 7.942,1311 0.117,1312 0.036,1313 7.942,1314 2.426,1315 6.308,1316 0.075,1317 0.019,1318 6.308,1319 1.583,1320 0.36,1321 77.854,1322 0.239,1323 24.056,1324 0.642,1325 130,1326 451.099,1327 149.182,1328 425.799,1329 585.41,1330 400,1331 154,1332 437.031,1333 173.598,1334 443.014,1335 645.37,1336 411,1337 5.495}
{0 CHEMBL138625,1 1.688,2 11.852,3 3.756,4 14.11,5 110.354,6 7.917,7 0.586,8 3.995,9 4.121,10 3.598,11 3.488,12 5.154,13 3.481,14 4.492,15 4.665,16 3.951,17 3.855,18 5.605,19 3.824,20 4.676,21 4.862,22 4.117,23 4.016,24 5.751,25 3.968,26 4.773,27 4.962,28 4.111,29 4.05,30 5.893,31 3.96,32 4.838,33 5.072,34 3.807,35 3.999,36 5.81,37 3.85,38 4.772,39 5.045,40 3.639,41 3.831,42 5.644,43 3.675,44 4.626,45 4.886,46 3.482,47 3.697,48 5.514,49 3.555,50 4.452,51 4.713,52 3.513,53 3.626,54 5.366,55 3.511,56 0.087,57 0.724,58 9.732,59 4.045,60 12.191,61 5.312,62 0.333,63 1.076,64 19.032,65 7.091,66 30.147,67 9.207,68 0.32,69 1.26,70 24.169,71 8.098,72 26.781,73 11.035,74 0.453,75 1.297,76 29.935,77 9.52,78 47.622,79 12.874,80 0.573,81 1.304,82 34.444,83 10.569,84 53.441,85 14.579,86 0.496,87 1.149,88 32.202,89 9.507,90 49.478,91 13.763,92 0.557,93 0.972,94 29.788,95 8.226,96 47.203,97 11.374,98 0.285,99 0.907,100 21.042,101 6.61,102 30.025,103 9.563,104 30,105 40,106 0.286,107 0.648,108 0.789,109 0.85,110 0.864,111 0.885,112 3.339,113 0.918,114 -4.17,115 -4.11,116 -3.89,119 38.8,121 2,124 2,125 1,139 5,140 2,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 7,172 3,173 3,175 3,178 6,180 1,182 6,187 4,189 6,193 5,195 1,196 1,197 1,198 5,200 2,201 4,204 4,205 1,206 1,207 2,210 2,211 1,212 3,214 1,215 5,218 2,224 1,226 2,229 4,231 1,234 2,237 1,238 1,239 2,240 1,241 4,243 1,246 3,251 1,254 4,256 1,260 6,265 2,268 4,270 2,273 1061,274 18.24,275 18.24,276 18.24,277 18.24,278 18.24,279 16.106,280 24.944,281 10.653,282 18.918,283 14.154,284 14.154,285 14.154,286 14.154,287 14.154,288 10.83,289 32.013,290 4.855,291 15.124,292 3.927,293 1.793,294 0.962,295 0.602,296 0.521,297 0.398,298 4.02,299 1,301 1,302 1,303 676,304 3.24,307 244.327,311 126.88,314 1.657,315 25.254,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 58.833,327 320,328 4.654,329 3.411,330 6.835,331 4.161,332 3.211,333 4.616,334 0.86,335 11.23,336 3.037,337 4.266,338 3.178,339 6.172,340 3.872,341 2.903,342 3.91,343 0.86,344 9.167,345 2.811,346 3.906,347 2.754,348 5.8,349 3.467,350 2.545,351 3.41,352 0.4,353 7.853,354 2.337,355 3.545,356 2.685,357 5.221,358 3.169,359 2.243,360 2.861,362 6.493,363 2.069,364 3.454,365 2.232,366 5.097,367 2.993,368 2.062,369 2.855,371 5.917,372 1.912,373 3.39,374 2.092,375 5.009,376 2.929,377 1.987,378 2.712,380 5.795,381 1.864,382 2.964,383 2.061,384 4.418,385 2.698,386 1.737,387 2.094,389 4.369,390 1.661,391 2.717,392 1.906,393 4.256,394 2.333,395 1.421,396 1.786,398 3.606,399 1.285,400 2.491,401 1.408,402 3.609,403 2.197,404 1.247,405 1.49,407 2.871,408 1.136,409 1.964,410 1.236,411 3.168,412 1.676,413 0.783,414 0.896,415 1.521,416 0.689,417 1.752,418 0.916,419 3,420 1.499,421 0.58,422 0.655,423 1.178,424 0.522,425 1.471,426 0.769,427 2.824,428 1.196,429 0.336,430 0.371,431 0.477,432 0.285,433 1.3,434 0.452,435 2.755,436 0.977,437 0.046,438 0.055,439 0.101,440 0.041,441 1.186,442 0.174,443 2.621,444 0.722,445 -0.115,446 -0.141,448 -0.297,449 -0.084,450 0.938,451 -0.028,452 2.482,453 0.548,454 -0.383,455 -0.469,457 -0.787,458 -0.352,459 12.881,460 0.477,461 0.644,462 0.024,463 36.25,464 1.343,465 18.5,466 0.685,467 17.75,468 0.657,469 21.665,470 0.802,471 29.719,472 0.607,473 26.525,474 0.982,475 7.264,476 0.269,477 5.765,478 0.214,479 0.195,481 0.349,485 0.973,486 1.299,487 0.683,488 0.997,489 1.082,490 0.903,491 1.065,492 0.924,493 0.696,494 0.808,495 0.679,496 0.798,497 1.026,498 1.152,499 0.832,500 0.941,501 0.862,502 0.906,503 0.952,504 1.234,505 1.145,506 1.276,507 0.839,508 1.218,509 0.902,510 1.047,511 1.309,512 1.251,513 1.108,514 1.268,515 0.841,516 0.965,517 0.953,518 1.033,519 0.812,520 1.044,521 1.256,522 0.764,523 1.208,524 0.907,525 1.078,526 0.961,527 0.847,528 0.88,529 0.793,530 0.837,531 0.865,532 0.895,533 5.5,534 0.186,535 3.111,536 2.313,537 1.942,538 0.764,539 0.384,540 0.255,541 0.206,542 0.237,543 9157,544 27411,545 2.014,546 44.9,547 2,548 13,551 5,553 2,555 1.696,556 1.862,557 3.49,558 2.547,560 1,564 82.693,565 1.688,566 3.822,567 4.653,568 5.012,569 5.094,570 5.217,571 2.893,572 4.357,573 4.731,574 3.674,575 1289.69,576 8.185,577 17270.4,579 1,581 1,582 275.121,583 1.487,584 4.672,585 0.19,586 0.007,587 0.078,588 0.053,589 0.05,590 0.026,591 0.016,592 0.012,593 0.009,594 0.009,595 0.45,596 0.17,597 1,598 0.905,599 135.959,600 -0.127,601 -0.05,602 0.009,603 0.004,604 -0.195,605 0.04,606 -0.019,607 0.175,608 0.103,609 0.183,610 0.147,611 0.159,612 -0.088,613 -0.055,614 0.075,615 0.055,616 -0.023,617 0.058,618 0.026,619 -0.198,620 -0.069,621 -0.239,622 0.116,623 -0.228,624 0.008,625 -0.092,626 -0.229,627 -0.234,628 -0.138,629 -0.263,630 0.028,631 -0.08,632 0.013,633 -0.055,634 0.03,635 -0.032,636 -0.134,637 0.105,638 -0.115,639 0.083,640 -0.125,641 0.036,642 -0.073,643 0.093,644 0.071,645 0.12,646 -0.067,647 0.097,648 1.538,649 2.371,650 0.593,651 24.255,652 1.009,653 1.135,654 2.942,655 8.656,656 0.666,657 3.401,658 3.714,659 3.989,660 4.234,661 4.419,662 4.443,663 4.394,664 4.394,665 4.443,666 4.431,667 7.01,668 0.635,669 387.91,670 3.401,671 4.934,672 5.784,673 6.661,674 7.526,675 8.408,676 9.278,677 10.163,678 11.036,679 11.923,680 10.2,684 2,685 1,690 2,694 2,695 5,696 2,700 7,702 17,711 2,712 1,716 2,717 1,718 49,719 17,720 2,721 29,723 51,724 19,725 14,726 7,727 5,729 3,730 4,731 1,739 2,741 14,742 5,754 1,757 22,758 7,759 5,760 8,761 1,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 2,807 1,810 27,811 2,816 3,817 1,818 2,828 1,829 4.1,834 2,836 14.5,837 9.21,838 6.139,839 2.666,840 3.36,841 1.462,842 0.98,843 6.339,844 10.633,845 3.651,846 4.29,847 4.913,848 5.511,849 6.066,850 6.314,851 6.541,852 6.803,853 7.088,854 6.98,855 0.875,856 44,857 9.893,859 4.076,860 7.763,861 18.72,863 14.788,865 2.263,866 61.111,868 1,869 1,870 200.109,871 105.196,872 117.376,873 39.149,874 22,877 105.196,878 261.257,879 117.376,880 21.766,881 7.175,882 113.176,883 51.582,884 46.647,885 4.227,886 200.109,887 39.149,888 200.109,889 222.572,890 22,891 39.149,893 176.567,894 45.542,897 11.218,898 159.772,899 90.73,901 200.109,902 139.376,903 144.345,906 200.109,907 36.049,908 69.147,909 18.011,910 160.514,911 200.109,912 139.376,913 144.345,915 0.575,916 0.351,917 0.193,918 0.101,919 18,920 9,921 0.137,922 7,923 1,924 1.125,925 3.862,926 220.461,927 0.125,928 16,929 128.382,933 19.639,934 8.714,935 4.417,936 1.224,937 139.376,938 9.473,939 8.14,943 4.423,945 83.805,946 483.829,947 37.5,956 49.44,957 55.591,958 0.301,959 0.681,960 0.829,961 0.893,962 0.907,963 0.929,964 4.877,965 1.421,966 5.771,967 4.369,968 4.394,969 4.977,970 1.454,971 6.589,972 4.27,973 6.099,974 1.247,975 7.339,976 3.606,977 4.007,978 4.913,980 7.526,981 3.807,982 7.422,983 0.783,984 9.007,985 2.871,986 5.994,987 7.267,988 1.175,989 10.627,990 5.773,991 8.785,992 0.58,993 10.733,994 1.521,995 6.415,996 8.015,998 12.392,999 6.113,1000 10.18,1001 0.336,1002 12.499,1003 1.178,1004 7.877,1005 9.869,1006 0.966,1007 15.034,1008 7.563,1009 11.598,1010 0.046,1011 14.291,1012 0.477,1013 8.682,1014 11.007,1016 17.159,1017 8.291,1018 13.033,1019 -0.115,1020 16.104,1021 0.101,1022 9.94,1023 12.659,1024 0.788,1025 19.645,1026 9.529,1027 3.211,1028 -0.383,1029 17.933,1030 -0.297,1031 10.928,1032 13.993,1034 21.928,1035 10.448,1036 2.903,1037 11.23,1038 19.776,1039 -0.787,1040 12.108,1041 15.562,1042 0.634,1043 24.36,1044 11.597,1045 2.545,1046 9.167,1047 21.63,1048 4.616,1049 13.181,1050 16.991,1052 26.714,1053 12.608,1054 2.243,1055 7.853,1056 23.493,1057 3.91,1058 14.335,1059 18.528,1060 0.504,1061 29.13,1062 13.72,1063 2.062,1064 6.493,1065 25.364,1066 3.41,1067 15.447,1068 20.004,1070 31.516,1071 14.774,1072 1.987,1073 5.917,1074 27.242,1075 2.861,1076 16.594,1077 21.529,1078 0.395,1079 33.927,1080 15.874,1081 1.737,1082 5.795,1083 29.125,1084 2.855,1085 17.727,1086 23.029,1088 36.328,1089 16.949,1090 8965,1091 15665,1092 18.898,1093 32.648,1094 42.13,1095 43.674,1096 44.609,1097 42.308,1098 42.201,1099 55.422,1100 4.24,1101 121.157,1102 39.298,1103 5.557,1104 5.411,1105 6.511,1106 5.233,1107 5.211,1108 7.616,1109 1.72,1110 18.464,1111 5.037,1112 15.296,1113 1.453,1114 1.506,1115 1.538,1116 1.459,1117 1.455,1118 1.911,1119 0.146,1120 4.178,1121 1.355,1122 4.074,1123 4.105,1124 4.134,1125 3.985,1126 5.316,1127 3.994,1128 3.943,1129 3.962,1130 3.89,1131 3.863,1132 4.99,1133 3.866,1134 3.61,1135 3.681,1136 3.589,1137 3.431,1138 4.914,1139 3.434,1140 3.429,1141 3.493,1142 3.407,1143 3.249,1144 4.852,1145 3.265,1146 3.316,1147 3.366,1148 3.24,1149 3.023,1150 4.602,1151 3.046,1152 3.154,1153 3.243,1154 3.165,1155 2.949,1156 4.441,1157 2.953,1158 3.136,1159 3.236,1160 2.928,1161 2.875,1162 4.256,1163 2.869,1164 3.035,1165 3.127,1166 2.921,1167 2.83,1168 4.149,1169 2.824,1170 0.16,1171 0.118,1172 0.236,1173 0.143,1174 0.111,1175 4.654,1176 0.159,1177 3.411,1178 0.03,1179 6.835,1180 0.387,1181 4.161,1182 0.105,1183 3.211,1184 4.616,1185 0.86,1186 11.23,1187 3.037,1188 2.005,1189 1.982,1190 2.056,1191 2.118,1192 1.298,1193 2.102,1194 1.912,1195 1.894,1196 2.016,1197 2.019,1198 1.173,1199 2.02,1200 1.578,1201 1.513,1202 1.803,1203 1.791,1204 0.986,1205 1.796,1206 1.369,1207 1.308,1208 1.592,1209 1.598,1210 0.594,1211 1.592,1212 1.236,1213 1.175,1214 1.544,1215 1.562,1216 0.574,1217 1.567,1218 1.134,1219 1.041,1220 1.511,1221 1.437,1222 0.535,1223 1.472,1224 1.058,1225 0.991,1226 1.331,1227 1.384,1228 0.394,1229 1.367,1230 1.008,1231 0.923,1232 1.278,1233 1.274,1234 0.163,1235 1.298,1236 4.078,1238 5.389,1240 6.909,1242 8.532,1244 10.211,1246 3.315,1247 6.483,1250 11.578,1252 2.438,1253 3.337,1254 10.7,1262 31.105,1263 82.693,1264 187.272,1265 228.001,1266 245.611,1267 249.611,1268 255.611,1269 45.53,1270 7.273,1271 108.31,1272 108.31,1273 18,1274 12.457,1275 4.17,1276 3.248,1277 47.298,1278 117,1279 98,1280 0.199,1281 197.722,1282 334.15,1283 474.203,1284 14810,1285 2,1286 19.389,1287 0.718,1288 0.593,1289 19.889,1290 16.008,1291 13.028,1292 0.449,1293 0.306,1294 8.368,1295 12.173,1296 8.099,1297 6.76,1298 13.317,1299 8.869,1300 11.388,1301 0.285,1302 0.159,1303 11.721,1304 6.374,1305 9.69,1306 0.183,1307 0.088,1308 10.118,1309 4.665,1310 8.196,1311 0.121,1312 0.048,1313 8.663,1314 3.27,1315 6.129,1316 0.075,1317 0.025,1318 6.362,1319 2.08,1320 0.32,1321 85.425,1322 0.23,1323 26.243,1324 0.524,1325 138,1326 421.922,1327 167.38,1328 436.191,1329 589.03,1330 408,1331 162,1332 412.968,1333 189.129,1334 430.696,1335 627.31,1336 402,1337 5.721}
{0 CHEMBL139188,1 1.514,2 8.421,3 2.322,4 5.393,5 74.732,6 8.139,7 0.81,8 3.574,9 3.717,10 3.209,11 3.096,12 4.821,13 3.11,14 3.988,15 4.148,16 3.56,17 3.437,18 5.26,19 3.429,20 4.199,21 4.413,22 3.555,23 3.488,24 5.378,25 3.468,26 4.132,27 4.357,28 3.386,29 3.379,30 5.295,31 3.33,32 4.07,33 4.308,34 3.226,35 3.291,36 5.243,37 3.223,38 3.988,39 4.257,40 2.971,41 3.174,42 4.973,43 3.075,44 3.744,45 3.99,46 2.888,47 3.011,48 4.769,49 2.917,50 3.583,51 3.823,52 2.708,53 2.781,54 4.73,55 2.722,56 0.068,57 0.538,58 5.508,59 2.036,60 10.68,61 2.633,62 0.149,63 0.795,64 8.756,65 3.687,66 16.431,67 4.896,68 0.24,69 0.9,70 12.699,71 3.865,72 24.414,73 5.408,74 0.178,75 0.805,76 12.255,77 4.042,78 23.398,79 5.777,80 0.254,81 0.737,82 11.852,83 3.709,84 29.454,85 5.226,86 0.187,87 0.626,88 12.108,89 3.701,90 23.68,91 5.424,92 0.095,93 0.507,94 8.978,95 3.396,96 12.969,97 4.916,98 0.12,99 0.442,100 7.291,101 2.038,102 15.86,103 2.946,104 5,105 29,106 0.282,107 0.552,108 0.715,109 0.833,110 0.85,111 0.85,112 3.01,113 0.82,114 -4.15,115 -4.1,116 -3.87,119 41.9,139 7,141 1,143 2,144 2,147 1,157 2,158 2,159 2,166 5,169 1,170 2,172 3,173 4,175 3,178 4,181 2,182 2,184 1,185 1,187 3,189 2,193 3,195 1,196 1,197 1,198 3,200 2,201 2,204 2,205 1,207 3,209 1,210 3,211 1,212 2,214 1,215 4,218 2,221 1,229 3,234 4,238 1,239 2,240 1,241 1,243 2,246 4,251 2,256 2,260 2,265 3,270 3,273 377,274 12.878,275 12.878,276 12.878,277 12.878,278 12.878,279 10.79,280 15.811,281 7.707,282 13.17,283 10.405,284 10.405,285 10.405,286 10.405,287 10.405,288 7.36,289 25,290 3.724,291 10.917,292 3.44,293 1.989,294 1.11,295 0.476,296 0.387,297 0.387,298 3.692,300 1,301 1,302 1,303 347,304 2,307 144.355,311 74.99,314 1.346,315 14.805,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 41,327 160,328 4.542,329 3.126,330 6.503,331 4.032,332 3.081,333 4.491,334 0.4,335 10.179,336 2.93,337 3.968,338 2.774,339 5.559,340 3.573,341 2.618,342 3.498,344 7.625,345 2.504,346 3.68,347 2.329,348 5.097,349 3.199,350 2.254,351 3.169,353 6.245,354 2.127,355 3.427,356 2.13,357 5.058,358 2.957,359 2.023,360 2.811,362 5.797,363 1.882,364 3.348,365 1.993,366 4.913,367 2.873,368 1.928,369 2.677,371 5.604,372 1.816,373 2.864,374 1.457,375 3.71,376 2.399,377 1.413,378 2.022,380 3.038,381 1.392,382 2.5,383 1.058,384 3.593,385 2,386 1.006,387 1.5,389 2.565,390 1,391 2.452,392 1,393 3.247,394 1.953,395 1,396 1.431,398 2.136,399 0.95,400 1.575,401 0.388,402 2.949,403 1.18,404 0.248,405 0.316,407 0.637,408 0.231,409 1.097,410 -0.111,411 2.67,412 0.696,413 -0.24,414 -0.31,415 -0.616,416 -0.224,417 0.955,418 -0.301,419 2.508,420 0.468,421 -0.453,422 -0.583,423 -1.162,424 -0.416,425 0.614,426 -0.663,427 2.233,428 0.152,429 -0.798,430 -1.023,431 -1.913,432 -0.751,433 0.5,434 -0.748,435 1.719,436 0.131,437 -0.817,438 -1.127,439 -2.327,440 -0.778,441 0.476,442 -1,443 1.555,445 -1,446 -1.5,448 -2.347,449 -1,450 0.224,451 -1.102,452 1.472,453 -0.194,454 -1.16,455 -1.627,457 -3.03,458 -1.12,459 8.9,460 0.468,461 0.452,462 0.024,463 30.5,464 1.605,465 17.5,466 0.921,467 13,468 0.684,469 9.502,470 0.5,471 19.3,472 0.623,473 19.182,474 1.01,475 6.1,476 0.321,477 3.121,478 0.164,479 0.09,481 0.337,485 1.226,486 1.205,487 0.778,488 0.824,489 1.383,490 0.74,491 0.496,492 1.127,493 0.715,494 1.102,495 0.438,496 0.976,497 1.197,498 1.046,499 1.002,500 0.929,501 0.942,502 0.93,503 0.969,504 1.2,505 0.993,506 1.142,507 0.746,508 1.085,509 1.07,510 0.822,511 1.183,512 1.005,513 1.25,514 1.094,515 1.143,516 0.785,517 1.082,518 0.854,519 1.125,520 0.938,521 0.481,522 0.999,523 0.794,524 1.094,525 0.47,526 1.018,527 1.482,528 1.117,529 1.256,530 1.045,531 1.44,532 1.098,533 4,534 0.025,535 1.556,536 1.25,537 1.169,538 0.243,539 0.383,540 0.161,541 0.107,542 0.078,543 3361,544 9471,545 2.113,546 38.7,548 7,551 5,555 1.601,556 2,557 3.065,558 2.943,560 1,562 1,564 46.945,565 1.514,566 2.965,567 3.844,568 4.478,569 4.567,570 4.567,571 2.531,572 4.037,573 4.22,574 3.167,575 541.608,576 7.176,577 5238.67,578 1,579 1,581 1,582 153.58,583 1.324,584 4.189,585 0.19,586 0.008,587 0.054,588 0.045,589 0.051,590 0.013,591 0.026,592 0.012,593 0.01,594 0.011,595 0.419,596 0.5,597 1,598 0.565,599 82.133,600 -0.287,601 -0.039,602 -0.01,603 0.117,604 -0.424,605 0.106,606 0.39,607 -0.02,608 0.096,609 -0.135,610 0.3,611 -0.084,612 -0.092,613 0.004,614 -0.081,615 -0.019,616 -0.075,617 -0.043,618 0.009,619 -0.218,620 -0.045,621 -0.187,622 0.171,623 -0.137,624 -0.004,625 0.173,626 -0.218,627 -0.074,628 -0.131,629 -0.164,630 -0.216,631 0.109,632 -0.05,633 0.142,634 -0.223,635 0.088,636 0.229,637 -0.125,638 0.199,639 -0.03,640 0.288,641 0.059,642 -0.38,643 -0.135,644 -0.278,645 -0.13,646 -0.293,647 -0.176,648 1.518,649 1.798,650 0.842,651 13.008,652 1.008,653 1.137,654 2.922,655 8.541,656 0.688,657 3.091,658 3.401,659 3.638,660 3.912,661 4.143,662 4.111,663 4.205,664 4.277,665 4.369,666 4.234,667 4.926,668 0.668,669 252.31,670 3.091,671 4.615,672 5.451,673 6.323,674 7.175,675 8.052,676 8.913,677 9.791,678 10.657,679 11.536,680 19.4,684 2,688 1,690 3,694 2,695 7,696 3,700 4,702 17,711 2,712 1,718 31,719 17,720 1,721 21,723 33,724 13,725 13,726 1,727 5,729 3,730 4,741 13,754 1,757 12,758 6,759 5,760 6,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,810 19,811 2,817 1,836 9.5,837 5.35,838 4.139,839 1.606,840 3.322,841 1.501,842 1.047,843 2.895,844 9.954,845 3.418,846 4.078,847 4.684,848 5.316,849 5.92,850 6.142,851 6.543,852 6.956,853 7.384,854 7.451,855 0.833,856 28,857 6.92,859 2.911,860 7.789,861 12.962,863 10.329,865 2.289,866 43.5,867 0.001,870 82.398,871 79.934,872 134.162,877 79.934,878 82.398,879 134.162,882 132.128,883 50.357,884 25.056,885 6.555,886 82.398,888 82.398,889 214.095,893 82.398,897 24.198,898 139.541,899 50.357,901 82.398,902 134.162,903 79.934,906 82.398,907 13.6,908 66.334,909 18.011,910 116.151,911 82.398,912 134.162,913 79.934,915 0.579,916 0.329,917 0.184,918 0.103,919 15,920 6,921 0.061,922 2,923 1,924 1.125,925 3.199,926 139.592,927 0.125,928 16,929 76.711,933 11.687,934 4.706,935 2.414,936 1.166,937 134.162,938 13.378,939 12.38,943 2.054,945 83.805,946 296.493,947 29.5,956 31.262,957 35.235,958 0.306,959 0.598,960 0.776,961 0.904,962 0.922,963 0.922,964 4.618,965 1,966 5.425,967 2.565,968 4.078,969 4.762,970 0.278,971 6.201,972 3.981,973 5.842,974 0.248,975 6.956,976 2.136,977 3.611,978 4.559,980 6.986,981 3.443,982 7.149,983 -0.24,984 8.583,985 0.637,986 5.631,987 7.037,988 0.05,989 10.088,990 5.434,991 8.492,992 -0.453,993 10.267,994 -0.616,995 5.943,996 7.644,998 11.702,999 5.673,1000 9.864,1001 -0.798,1002 11.988,1003 -1.162,1004 7.451,1005 9.595,1006 0.008,1007 14.321,1008 7.155,1009 11.258,1010 -0.817,1011 13.736,1012 -1.913,1013 8.157,1014 10.629,1016 16.319,1017 7.793,1018 12.671,1019 -1,1020 15.505,1021 -2.327,1022 9.437,1023 12.335,1024 0.001,1025 18.756,1026 9.043,1027 3.081,1028 -1.16,1029 17.291,1030 -2.347,1031 10.349,1032 13.602,1034 20.933,1035 9.891,1036 2.618,1037 10.179,1038 19.09,1039 -3.03,1040 11.529,1041 15.192,1043 23.297,1044 11.034,1045 2.254,1046 7.625,1047 20.902,1048 4.491,1049 12.545,1050 16.579,1052 25.554,1053 11.991,1054 2.023,1055 6.245,1056 22.723,1057 3.498,1058 13.684,1059 18.118,1061 27.891,1062 13.088,1063 1.928,1064 5.797,1065 24.552,1066 3.169,1067 14.752,1068 19.564,1070 30.182,1071 14.1,1072 1.413,1073 5.604,1074 26.389,1075 2.811,1076 15.875,1077 21.08,1079 32.508,1080 15.178,1081 1.006,1082 3.038,1083 28.231,1084 2.677,1085 16.969,1086 22.555,1088 34.815,1089 16.218,1090 3253,1091 5576,1092 14.216,1093 21.318,1094 31.424,1095 31.138,1096 31.541,1097 31.191,1098 31.145,1099 43.831,1100 0.8,1101 87.649,1102 29.667,1103 5.289,1104 5.126,1105 6.305,1106 5.105,1107 5.081,1108 7.491,1109 0.8,1110 17.073,1111 4.93,1112 7.325,1113 1.496,1114 1.483,1115 1.502,1116 1.485,1117 1.483,1118 2.087,1119 0.038,1120 4.174,1121 1.413,1122 4.052,1123 4.097,1124 4.029,1125 3.92,1126 5.325,1127 3.941,1128 3.874,1129 3.91,1130 3.808,1131 3.797,1132 4.99,1133 3.796,1134 3.463,1135 3.535,1136 3.404,1137 3.261,1138 4.847,1139 3.289,1140 3.117,1141 3.229,1142 3.012,1143 2.859,1144 4.708,1145 2.882,1146 3.023,1147 3.11,1148 2.911,1149 2.788,1150 4.246,1151 2.815,1152 2.854,1153 2.925,1154 2.687,1155 2.735,1156 3.915,1157 2.715,1158 2.681,1159 2.772,1160 2.557,1161 2.505,1162 3.79,1163 2.511,1164 2.6,1165 2.714,1166 2.426,1167 2.257,1168 3.674,1169 2.286,1170 0.216,1171 0.149,1172 0.31,1173 0.192,1174 0.147,1175 4.542,1176 0.214,1177 3.126,1178 0.019,1179 6.503,1180 0.485,1181 4.032,1182 0.14,1183 3.081,1184 4.491,1185 0.4,1186 10.179,1187 2.93,1188 1.968,1189 1.932,1190 2.039,1191 2.122,1192 1.092,1193 2.095,1194 1.865,1195 1.834,1196 1.968,1197 1.967,1198 1.02,1199 1.975,1200 1.379,1201 1.316,1202 1.517,1203 1.623,1204 0.443,1205 1.601,1206 1.016,1207 0.933,1208 1.274,1209 1.383,1210 0.225,1211 1.364,1212 0.964,1213 0.875,1214 1.201,1215 1.231,1216 0.218,1217 1.229,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1223 1.107,1224 0.65,1225 0.577,1226 0.941,1227 0.932,1229 0.946,1230 0.523,1231 0.396,1232 0.844,1233 0.846,1235 0.852,1236 3.761,1238 5.069,1240 6.581,1242 8.188,1244 9.846,1250 11.339,1253 3.184,1262 20.709,1263 46.945,1264 91.913,1265 119.174,1266 138.825,1267 141.58,1268 141.58,1269 19.888,1270 6.632,1271 102.74,1272 102.74,1273 18,1274 12.075,1275 4.17,1276 3.248,1277 27.879,1278 57,1279 51,1280 0.251,1281 130.637,1282 208.56,1283 310.515,1284 5934,1286 13.242,1287 0.697,1288 0.528,1289 13.242,1290 10.038,1291 9.22,1292 0.439,1293 0.273,1294 5.659,1295 8.895,1296 5.564,1297 4.641,1298 9.22,1299 5.74,1300 8.397,1301 0.29,1302 0.139,1303 8.397,1304 4.022,1305 6.758,1306 0.183,1307 0.071,1308 6.758,1309 2.633,1310 5.879,1311 0.12,1312 0.037,1313 5.879,1314 1.794,1315 4.76,1316 0.077,1317 0.019,1318 4.76,1319 1.167,1320 0.385,1321 57.532,1322 0.265,1323 18.963,1324 0.706,1325 100,1326 283.893,1327 110.546,1328 286.876,1329 403.02,1330 268,1331 116,1332 313.394,1333 126.075,1334 319.055,1335 464.21,1336 301,1337 6.367}
{0 CHEMBL139430,1 1.458,2 9.958,3 3.437,4 11.81,5 96.079,6 7.91,7 0.815,8 3.816,9 3.95,10 3.441,11 3.381,12 5.011,13 3.377,14 4.273,15 4.44,16 3.821,17 3.762,18 5.454,19 3.742,20 4.489,21 4.678,22 3.891,23 3.898,24 5.622,25 3.861,26 4.539,27 4.744,28 3.754,29 3.874,30 5.64,31 3.795,32 4.569,33 4.821,34 3.591,35 3.792,36 5.574,37 3.68,38 4.439,39 4.702,40 3.449,41 3.653,42 5.37,43 3.545,44 4.288,45 4.53,46 3.371,47 3.552,48 5.317,49 3.457,50 4.197,51 4.457,52 3.236,53 3.415,54 5.2,55 3.317,56 0.039,57 0.661,58 7.293,59 2.956,60 10.123,61 3.831,62 0.174,63 1.025,64 12.661,65 5.132,66 18.386,67 6.847,68 0.2,69 1.233,70 16.546,71 6.058,72 22.218,73 8.177,74 0.156,75 1.237,76 17.947,77 6.892,78 27.162,79 9.454,80 0.272,81 1.2,82 20.854,83 7.436,84 35.204,85 10.535,86 0.166,87 1.025,88 18.942,89 6.619,90 24.185,91 9.537,92 0.169,93 0.913,94 15.413,95 5.399,96 24.961,97 7.608,98 0.144,99 0.814,100 14.696,101 4.935,102 22.399,103 7.088,104 10,105 39,106 0.253,107 0.566,108 0.707,109 0.84,110 0.861,111 0.878,112 3.229,113 0.838,114 -5.25,115 -5.14,116 -4.81,119 45,124 1,139 9,140 2,141 1,143 2,144 2,147 1,157 2,158 2,159 2,166 10,169 2,170 5,172 3,173 3,178 12,181 2,182 5,184 1,185 1,189 10,193 5,195 1,196 1,197 1,198 2,200 2,201 6,204 2,205 1,206 2,207 5,209 2,210 2,212 2,215 5,218 2,221 3,229 4,234 6,236 1,237 1,239 2,241 4,243 2,246 5,251 2,254 3,256 2,260 4,265 4,268 1,270 4,273 738,274 16.24,275 16.24,276 16.24,277 16.24,278 16.24,279 13.686,280 16.003,281 9.39,282 16.573,283 13.321,284 13.321,285 13.321,286 13.321,287 13.321,288 9.481,289 23.321,290 4.466,291 13.892,292 3.864,293 2.064,294 1.251,295 0.488,296 0.369,297 0.269,298 3.928,300 1,301 1,302 1,303 530,304 2.646,307 228.562,311 194.181,314 1.465,315 15.65,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51,327 239,328 4.558,329 3.268,330 6.554,331 4.08,332 3.13,333 4.497,334 0.8,335 10.337,336 2.983,337 4.425,338 3.048,339 6.37,340 3.951,341 2.976,342 4.342,344 9.69,345 2.905,346 4.034,347 2.806,348 6.106,349 3.673,350 2.718,351 3.46,353 8.86,354 2.58,355 3.587,356 2.275,357 5.202,358 3.113,359 2.181,360 3.019,362 6.311,363 2.038,364 3.425,365 2.101,366 5.062,367 2.95,368 2.01,369 2.811,371 5.798,372 1.881,373 3.311,374 1.944,375 4.977,376 2.838,377 1.882,378 2.643,380 5.681,381 1.793,382 3.118,383 1.618,384 4.423,385 2.618,386 1.618,387 2.427,389 4.371,390 1.618,391 2.899,392 1.429,393 3.782,394 2.408,395 1.414,396 2.09,398 3.055,399 1.406,400 2.458,401 1.067,402 3.7,403 1.971,404 1.014,405 1.44,407 2.565,408 0.968,409 2.27,410 1.031,411 3.579,412 1.853,413 0.906,414 1.189,415 2.284,416 0.856,417 2.021,418 0.641,419 3.152,420 1.594,421 0.611,422 0.856,423 1.456,424 0.6,425 1.336,426 0.083,427 2.758,428 0.89,429 -0.034,430 -0.045,431 -0.086,432 -0.031,433 0.98,434 -0.298,435 2.589,436 0.51,437 -0.444,438 -0.576,439 -1.126,440 -0.408,441 0.942,442 -0.398,443 2.467,444 0.468,445 -0.482,446 -0.659,448 -1.166,449 -0.47,450 0.882,451 -0.618,452 2.26,453 0.382,454 -0.618,455 -0.927,457 -1.6,458 -0.618,459 11.4,460 0.475,461 0.644,462 0.027,463 37.75,464 1.573,465 21.5,466 0.896,467 16.25,468 0.677,469 14.481,470 0.603,471 24,472 0.6,473 26.35,474 1.098,475 7.469,476 0.311,477 4.145,478 0.173,479 0.114,481 0.386,485 1.119,486 1.205,487 0.765,488 0.882,489 1.309,490 0.793,491 0.644,492 0.924,493 0.704,494 0.862,495 0.442,496 0.805,497 1.07,498 1.025,499 0.955,500 0.949,501 0.795,502 0.938,503 0.955,504 1.2,505 1.136,506 1.251,507 0.809,508 1.225,509 0.866,510 0.878,511 1.088,512 1.054,513 1.043,514 1.094,515 0.949,516 0.947,517 0.956,518 0.953,519 0.792,520 0.955,521 1.069,522 0.935,523 1.085,524 1.001,525 1.045,526 1.037,527 1.111,528 0.946,529 1.007,530 0.927,531 1.058,532 0.947,533 5,534 0.066,535 3.111,536 1.75,537 1.693,538 0.785,539 0.527,540 0.26,541 0.209,542 0.169,543 6567,544 17021,545 2.135,546 40,548 12,551 4,555 1.668,556 2,557 3.295,558 1.777,560 1,562 1,564 58.309,565 1.458,566 3.258,567 4.071,568 4.834,569 4.953,570 5.053,571 2.736,572 4.168,573 4.559,574 3.399,575 938.198,576 7.859,577 10727.7,578 1,579 1,580 1,581 1,582 212.877,583 1.406,584 4.518,585 0.185,586 0.006,587 0.08,588 0.043,589 0.05,590 0.028,591 0.021,592 0.011,593 0.01,594 0.011,595 0.444,596 0.17,597 1,598 0.566,599 113.188,600 -0.171,601 -0.07,602 0.026,603 0.051,604 -0.345,605 0.064,606 0.323,607 0.166,608 0.148,609 0.085,610 0.286,611 0.09,612 -0.023,613 0.047,614 -0.065,615 -0.015,616 0.016,617 -0.04,618 -0.034,619 -0.194,620 -0.222,621 -0.284,622 0.032,623 -0.281,624 0.091,625 0.067,626 -0.086,627 -0.068,628 -0.069,629 -0.096,630 -0.055,631 -0.04,632 0.071,633 0.056,634 0.022,635 0.077,636 -0.105,637 0.027,638 -0.099,639 -0.021,640 -0.089,641 -0.052,642 -0.132,643 -0.013,644 0.016,645 0.061,646 -0.06,647 0.06,648 1.516,649 1.927,650 0.833,651 18.542,652 1.001,653 1.127,654 4.023,655 16.183,656 0.696,657 3.332,658 3.689,659 3.989,660 4.263,661 4.533,662 4.595,663 4.71,664 4.812,665 4.92,666 4.905,667 5.725,668 0.669,669 316.4,670 3.332,671 4.89,672 5.759,673 6.65,674 7.532,675 8.426,676 9.312,677 10.206,678 11.094,679 11.988,680 15,684 2,688 1,690 3,694 4,695 9,696 3,700 4,702 22,711 2,714 1,718 40,719 22,720 2,721 27,723 43,724 18,725 17,726 3,727 7,729 4,730 6,741 17,742 1,753 1,754 1,757 16,758 6,759 4,760 6,764 6,769 0.5,775 1,776 1,781 4,785 2,802 2,806 1,810 24,811 2,821 1,836 12,837 7.467,838 5.139,839 2.176,840 4.5,841 1.6,842 1.06,843 3.436,844 12.006,845 3.664,846 4.369,847 5.042,848 5.693,849 6.333,850 6.659,851 7.087,852 7.516,853 7.965,854 8.128,855 0.857,856 41,857 8.778,859 3.75,860 7.681,861 16.707,863 13.735,865 2.181,866 52.333,869 1,870 141.253,871 112.428,872 119.275,877 112.428,878 141.253,879 119.275,880 8.396,882 151.081,883 50.357,884 15.315,885 6.555,886 141.253,888 141.253,889 231.704,893 141.253,897 9.312,898 172.035,899 50.357,901 141.253,902 119.275,903 112.428,906 141.253,907 18.746,908 96.807,910 116.151,911 141.253,912 119.275,913 112.428,915 0.593,916 0.353,917 0.192,918 0.107,919 21,920 9,921 0.047,922 2,923 2,924 1.2,925 3.611,926 204.153,927 0.2,928 20,929 110.039,933 14.669,934 5.622,935 2.628,936 3.567,937 119.275,938 18.285,939 12.728,943 2.233,945 65.794,946 372.957,947 38,956 40.029,957 45.066,958 0.274,959 0.612,960 0.765,961 0.908,962 0.931,963 0.949,964 4.894,965 1.414,966 5.759,967 4.371,968 4.369,969 5.056,970 0.673,971 6.592,972 4.288,973 6.14,974 1.014,975 7.334,976 3.055,977 4.007,978 4.956,979 0.325,980 7.503,981 3.864,982 7.47,983 0.906,984 9.006,985 2.565,986 5.989,987 7.393,988 0.379,989 10.61,990 5.826,991 8.837,992 0.611,993 10.733,994 2.284,995 6.415,996 8.097,997 0.268,998 12.312,999 6.19,1000 10.233,1001 -0.034,1002 12.495,1003 1.456,1004 7.886,1005 10.009,1006 0.239,1007 14.931,1008 7.643,1009 11.649,1010 -0.444,1011 14.281,1012 -0.086,1013 8.679,1014 11.113,1015 0.188,1016 16.966,1017 8.381,1018 13.082,1019 -0.482,1020 16.083,1021 -1.126,1022 9.94,1023 12.793,1024 0.156,1025 19.402,1026 9.618,1027 3.13,1028 -0.618,1029 17.898,1030 -1.166,1031 10.907,1032 14.097,1033 0.125,1034 21.584,1035 10.535,1036 2.976,1037 10.337,1038 19.722,1039 -1.6,1040 12.08,1041 15.671,1042 0.102,1043 23.945,1044 11.678,1045 2.718,1046 9.69,1047 21.554,1048 4.497,1049 13.128,1050 17.073,1051 0.082,1052 26.195,1053 12.68,1054 2.181,1055 8.86,1056 23.391,1057 4.342,1058 14.266,1059 18.6,1060 0.066,1061 28.525,1062 13.783,1063 2.01,1064 6.311,1065 25.234,1066 3.46,1067 15.351,1068 20.049,1069 0.054,1070 30.807,1071 14.824,1072 1.882,1073 5.798,1074 27.079,1075 3.019,1076 16.476,1077 21.554,1078 0.043,1079 33.126,1080 15.912,1081 1.618,1082 5.681,1083 28.928,1084 2.811,1085 17.58,1086 23.025,1087 0.035,1088 35.424,1089 16.972,1090 6152,1091 10044,1092 18.205,1093 27.841,1094 41.25,1095 40.846,1096 42.257,1097 40.995,1098 40.916,1099 57.551,1100 1.6,1101 120.817,1102 39.256,1103 5.314,1104 5.268,1105 6.241,1106 5.152,1107 5.13,1108 7.497,1109 1.2,1110 17.253,1111 4.983,1112 10.458,1113 1.528,1114 1.513,1115 1.565,1116 1.518,1117 1.515,1118 2.132,1119 0.059,1120 4.475,1121 1.454,1122 4.108,1123 4.139,1124 4.071,1125 4.048,1126 5.324,1127 4.047,1128 4.012,1129 4.048,1130 3.983,1131 3.893,1132 4.989,1133 3.914,1134 3.592,1135 3.655,1136 3.526,1137 3.444,1138 4.911,1139 3.453,1140 3.392,1141 3.45,1142 3.309,1143 3.24,1144 4.772,1145 3.254,1146 3.18,1147 3.269,1148 3.029,1149 3,1150 4.373,1151 2.995,1152 3.112,1153 3.228,1154 2.993,1155 2.907,1156 4.185,1157 2.896,1158 3.021,1159 3.078,1160 2.884,1161 2.807,1162 3.927,1163 2.843,1164 2.715,1165 2.816,1166 2.545,1167 2.529,1168 3.882,1169 2.511,1170 0.169,1171 0.121,1172 0.243,1173 0.151,1174 0.116,1175 4.558,1176 0.167,1177 3.268,1178 0.03,1179 6.554,1180 0.383,1181 4.08,1182 0.11,1183 3.13,1184 4.497,1185 0.8,1186 10.337,1187 2.983,1188 2.075,1189 2.054,1190 2.157,1191 2.152,1192 1.289,1193 2.15,1194 1.951,1195 1.916,1196 2.003,1197 2.09,1198 1.064,1199 2.073,1200 1.547,1201 1.497,1202 1.715,1203 1.741,1204 0.784,1205 1.734,1206 1.354,1207 1.297,1208 1.548,1209 1.54,1210 0.593,1211 1.544,1212 1.174,1213 1.09,1214 1.466,1215 1.416,1216 0.391,1217 1.451,1218 1.046,1219 0.989,1220 1.281,1221 1.383,1222 0.354,1223 1.364,1224 1,1225 0.898,1226 1.273,1227 1.186,1228 0.042,1229 1.222,1230 0.686,1231 0.614,1232 0.952,1233 0.968,1235 0.973,1236 4.007,1238 5.352,1240 6.905,1242 8.551,1244 10.243,1246 1.965,1250 11.553,1257 2.002,1262 26.762,1263 58.309,1264 130.309,1265 162.838,1266 193.367,1267 198.122,1268 202.122,1269 26.839,1270 7.506,1271 93.95,1272 93.95,1273 24,1274 12.515,1275 4.524,1276 3.585,1277 33.926,1278 83,1279 76,1280 0.203,1281 165.351,1282 266.52,1283 395.216,1284 18531,1286 16.681,1287 0.695,1288 0.547,1289 16.681,1290 13.14,1291 11.614,1292 0.43,1293 0.279,1294 7.445,1295 11.252,1296 7.251,1297 6.042,1298 11.614,1299 7.539,1300 10.788,1301 0.277,1302 0.143,1303 10.788,1304 5.595,1305 9.366,1306 0.177,1307 0.076,1308 9.366,1309 4.036,1310 7.964,1311 0.114,1312 0.039,1313 7.964,1314 2.749,1315 6.588,1316 0.072,1317 0.02,1318 6.588,1319 1.881,1320 0.315,1321 72.109,1322 0.234,1323 23.242,1324 0.567,1325 132,1326 345.205,1327 142.907,1328 349.661,1329 497.96,1330 328,1331 158,1332 391.31,1333 169.074,1334 400.978,1335 587.89,1336 378,1337 8.004}
{0 CHEMBL139485,1 1.693,2 10.077,3 2.479,4 6.145,5 99.018,6 7.748,7 0.607,8 3.954,9 4.078,10 3.543,11 3.355,12 5.174,13 3.389,14 4.437,15 4.617,16 3.889,17 3.684,18 5.605,19 3.718,20 4.519,21 4.661,22 4.048,23 3.857,24 5.757,25 3.884,26 4.684,27 4.844,28 4.028,29 3.961,30 5.871,31 3.937,32 4.868,33 5.081,34 3.891,35 3.978,36 5.917,37 3.911,38 4.808,39 5.04,40 3.727,41 3.878,42 5.795,43 3.791,44 4.724,45 4.991,46 3.61,47 3.764,48 5.686,49 3.661,50 4.608,51 4.893,52 3.482,53 3.597,54 5.542,55 3.507,56 0.125,57 0.699,58 9.238,59 3.392,60 12.819,61 4.58,62 0.5,63 1.004,64 18.207,65 5.452,66 34.763,67 7.282,68 0.526,69 1.196,70 17.537,71 5.704,72 29.235,73 7.77,74 0.499,75 1.312,76 21.091,77 7.597,78 33.374,79 10.455,80 0.77,81 1.349,82 29.361,83 9.06,84 55.944,85 12.545,86 0.721,87 1.224,88 28.473,89 8.264,90 48.555,91 12.047,92 0.576,93 1.105,94 27.087,95 7.819,96 47.145,97 11.974,98 0.494,99 0.955,100 24.878,101 6.508,102 42.743,103 10.42,104 46,105 40,106 0.291,107 0.605,108 0.714,109 0.762,110 0.772,111 0.803,112 3.305,113 0.827,114 -2.92,115 -2.92,116 -2.83,119 37,124 4,139 4,141 4,143 2,144 2,147 1,157 2,158 2,159 2,166 1,169 2,170 7,172 3,173 3,178 1,181 4,182 5,184 1,185 1,192 3,193 5,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,206 3,207 1,209 2,210 2,212 2,215 2,218 2,220 2,221 2,233 1,234 7,236 1,237 1,239 2,243 2,246 1,259 4,262 2,263 2,265 2,270 2,273 944,274 17.489,275 17.489,276 17.489,277 17.489,278 17.489,279 15.477,280 26.155,281 9.925,282 18.331,283 13.581,284 13.581,285 13.581,286 13.581,287 13.581,288 10.301,289 38.06,290 4.399,291 14.68,292 3.83,293 2.001,294 1.365,295 1.088,296 1.028,297 0.848,298 3.981,300 1,301 1,302 1,303 549,304 3.24,307 222.817,311 117.281,314 1.467,315 25.714,317 1,318 1,319 0.83,320 1,321 0.8,323 1,324 1,325 0.8,326 58,327 262,328 4.56,329 3.412,330 6.6,331 4.101,332 3.157,333 4.497,334 0.86,335 10.508,336 2.979,337 4.44,338 3.195,339 6.508,340 4.001,341 3.053,342 4.123,343 0.86,344 10.195,345 2.89,346 4.007,347 2.991,348 6.268,349 3.677,350 2.753,351 3.402,352 0.86,353 9.241,354 2.54,355 3.564,356 2.555,357 5.219,358 3.101,359 2.175,360 2.947,361 0.8,362 6.341,363 2.015,364 3.425,365 2.29,366 5.19,367 2.972,368 2.061,369 2.811,371 6.118,372 1.88,373 3.355,374 2.12,375 5.062,376 2.948,377 2.008,378 2.604,380 5.798,381 1.867,382 3.275,383 2.032,384 4.98,385 2.814,386 1.865,387 2.58,389 5.695,390 1.764,391 2.459,392 1.863,393 3.987,394 2.045,395 1.189,396 1.442,398 2.773,399 1.016,400 2.297,401 1.132,402 3.71,403 1.948,404 1.008,405 1.275,407 2.565,408 0.941,409 1.989,410 1.056,411 3.508,412 1.705,413 0.804,414 0.927,415 1.796,416 0.72,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.403,426 0.889,427 2.751,428 1.143,429 0.302,430 0.324,431 0.386,432 0.252,433 1.314,434 0.13,435 2.58,436 0.882,437 -0.038,438 -0.05,439 -0.095,440 -0.035,441 0.966,442 0.049,443 2.493,444 0.475,445 -0.445,446 -0.548,448 -0.842,449 -0.406,450 0.765,451 -0.298,452 2.439,453 0.419,454 -0.482,455 -0.58,457 -1.157,458 -0.427,459 11.9,460 0.458,461 0.695,462 0.027,463 37.25,464 1.433,465 19,466 0.731,467 18.25,468 0.702,469 18.704,470 0.719,471 28.9,472 0.628,473 29.502,474 1.135,475 7.747,476 0.298,477 4.73,478 0.182,479 0.235,481 0.412,485 1.035,486 1.557,487 0.779,488 1.246,489 1.193,490 0.985,491 1.318,492 0.826,493 0.717,494 0.634,495 0.831,496 0.57,497 0.963,498 1.191,499 0.867,500 1,501 0.821,502 0.909,503 0.824,504 1.359,505 1.036,506 1.382,507 0.768,508 1.278,509 1.239,510 0.948,511 1.198,512 1.091,513 1.175,514 1.148,515 1.185,516 1.001,517 1.189,518 1.064,519 0.968,520 1.129,521 0.845,522 0.909,523 0.948,524 0.976,525 0.819,526 0.983,527 0.888,528 0.868,529 0.85,530 0.84,531 0.936,532 0.824,533 6,534 0.136,535 3.556,536 2.438,537 2.182,538 1.222,539 0.607,540 0.307,541 0.349,542 0.255,543 7068,544 21770,545 1.992,546 43.5,548 16,551 4,555 1.693,556 1.814,557 3.292,558 1.811,559 1,560 1,564 77.894,565 1.693,566 3.523,567 4.158,568 4.436,569 4.496,570 4.675,571 2.719,572 4.162,573 4.674,574 3.423,575 1112.49,576 8.11,577 13528.3,579 1,581 1,582 254.084,583 1.549,584 4.601,585 0.214,586 0.009,587 0.089,588 0.053,589 0.051,590 0.034,591 0.02,592 0.011,593 0.015,594 0.012,595 0.508,596 0.17,597 1,598 1.028,599 125.739,600 -0.14,601 -0.298,602 0.044,603 -0.156,604 -0.264,605 -0.025,606 -0.107,607 0.249,608 0.243,609 0.361,610 0.106,611 0.365,612 0.068,613 0.04,615 0.026,616 0.049,617 0.011,618 0.083,619 -0.209,620 -0.167,621 -0.317,622 0.062,623 -0.302,624 -0.151,625 0.027,626 -0.225,627 -0.089,628 -0.199,629 -0.172,630 -0.154,631 -0.065,632 -0.2,633 -0.074,634 -0.118,635 -0.141,636 -0.005,637 -0.014,638 0.053,639 0.008,640 0.038,641 0.04,642 -0.047,643 -0.005,644 0.179,645 0.11,646 -0.022,647 0.193,648 1.553,649 1.925,650 0.615,651 21.278,652 1.017,653 1.142,654 1.688,655 2.85,656 0.646,657 3.367,658 3.714,659 4.025,660 4.29,661 4.522,662 4.595,663 4.673,664 4.71,665 4.796,666 4.844,667 5.887,668 0.63,669 356.43,670 3.367,671 4.92,672 5.79,673 6.686,674 7.572,675 8.471,676 9.361,677 10.26,678 11.152,679 12.051,680 13,684 2,688 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,716 3,718 46,719 17,720 1,721 28,723 48,724 17,725 13,726 4,727 2,729 3,730 4,741 13,742 4,753 1,754 1,757 20,758 9,759 4,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 4,810 26,811 2,818 3,821 1,829 6.5,834 3,836 14.333,837 9.55,838 5.917,839 2.253,840 3.363,841 1.464,842 0.965,843 5.2,844 10.618,845 3.624,846 4.29,847 4.94,848 5.557,849 6.147,850 6.461,851 6.829,852 7.191,853 7.622,854 7.861,855 0.857,856 46,857 9.489,859 3.889,860 7.827,861 17.671,863 13.616,865 2.327,866 60.5,869 1,870 188.338,871 108.281,872 119.275,874 33,877 108.281,878 221.337,879 119.275,880 41.046,882 103.699,883 50.357,884 58.899,885 6.555,886 188.338,888 188.338,889 227.556,890 33,893 188.338,894 33,897 9.312,898 167.888,899 50.357,901 188.338,902 152.275,903 108.281,906 188.338,907 29.33,908 82.075,910 149.151,911 188.338,912 152.275,913 108.281,915 0.581,916 0.367,917 0.205,918 0.11,919 19,920 10,921 0.104,922 5,923 1,924 1.125,925 3.585,926 221.965,927 0.125,928 16,929 114.211,933 18.29,934 7.392,935 3.436,936 1.063,937 152.275,938 7.268,939 12.649,943 3.394,945 65.794,946 448.893,947 36.5,956 46.778,957 52.524,958 0.307,959 0.638,960 0.753,961 0.803,962 0.814,963 0.846,964 4.869,965 1.189,966 5.802,967 5.695,968 4.394,969 4.977,970 1.856,971 6.661,972 4.252,973 6.11,974 1.008,975 7.399,976 2.773,977 4.111,978 4.956,979 0.325,980 7.65,981 3.913,982 7.448,983 0.804,984 9.092,985 2.565,986 6.043,987 7.282,988 1.557,989 10.749,990 5.783,991 8.822,992 0.396,993 10.838,994 1.796,995 6.538,996 8.034,997 0.268,998 12.502,999 6.213,1000 10.225,1001 0.302,1002 12.617,1003 0.603,1004 7.969,1005 9.873,1006 1.308,1007 15.129,1008 7.597,1009 11.647,1010 -0.038,1011 14.418,1012 0.386,1013 8.813,1014 10.992,1015 0.188,1016 17.205,1017 8.374,1018 13.084,1019 -0.445,1020 16.234,1021 -0.095,1022 10.054,1023 12.631,1024 1.087,1025 19.657,1026 9.571,1027 3.157,1028 -0.482,1029 18.062,1030 -0.842,1031 11.056,1032 13.935,1033 0.125,1034 21.874,1035 10.508,1036 3.053,1037 10.508,1038 19.899,1039 -1.157,1040 12.225,1041 15.486,1042 0.89,1043 24.256,1044 11.63,1045 2.753,1046 10.195,1047 21.743,1048 4.497,1049 13.297,1050 16.882,1051 0.082,1052 26.535,1053 12.641,1054 2.175,1055 9.241,1056 23.592,1057 4.123,1058 14.439,1059 18.395,1060 0.718,1061 28.887,1062 13.732,1063 2.061,1064 6.341,1065 25.447,1066 3.402,1067 15.543,1068 19.837,1069 0.054,1070 31.195,1071 14.777,1072 2.008,1073 6.118,1074 27.305,1075 2.947,1076 16.676,1077 21.334,1078 0.571,1079 33.535,1080 15.858,1081 1.865,1082 5.798,1083 29.166,1084 2.811,1085 17.795,1086 22.799,1087 0.035,1088 35.857,1089 16.919,1090 7047,1091 12496,1092 17.918,1093 29.728,1094 41.438,1095 42.766,1096 44.927,1097 41.421,1098 41.546,1099 54.764,1100 6.76,1101 124.039,1102 38.413,1103 5.328,1104 5.412,1105 6.142,1106 5.174,1107 5.157,1108 7.497,1109 1.72,1110 17.447,1111 4.979,1112 15.896,1113 1.48,1114 1.527,1115 1.605,1116 1.479,1117 1.484,1118 1.956,1119 0.241,1120 4.43,1121 1.372,1122 4.063,1123 4.105,1124 4.041,1125 3.929,1126 5.324,1127 3.951,1128 3.916,1129 3.931,1130 3.885,1131 3.803,1132 4.993,1133 3.82,1134 3.518,1135 3.584,1136 3.457,1137 3.297,1138 4.974,1139 3.329,1140 3.303,1141 3.356,1142 3.156,1143 3.05,1144 4.779,1145 3.065,1146 3.283,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.21,1153 3.289,1154 3.007,1155 2.906,1156 4.465,1157 2.906,1158 3.115,1159 3.229,1160 2.982,1161 2.856,1162 4.321,1163 2.857,1164 3.093,1165 3.194,1166 2.849,1167 2.806,1168 4.114,1169 2.827,1170 0.163,1171 0.122,1172 0.236,1173 0.146,1174 0.113,1175 4.56,1176 0.161,1177 3.412,1178 0.031,1179 6.6,1180 0.375,1181 4.101,1182 0.106,1183 3.157,1184 4.497,1185 0.86,1186 10.508,1187 2.979,1188 1.971,1189 1.937,1190 2.025,1191 2.126,1192 1.123,1193 2.098,1194 1.855,1195 1.84,1196 1.924,1197 1.993,1198 1.021,1199 1.971,1200 1.426,1201 1.363,1202 1.642,1203 1.69,1204 0.684,1205 1.672,1206 1.23,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.159,1214 1.569,1215 1.515,1216 0.571,1217 1.53,1218 1.168,1219 1.08,1220 1.507,1221 1.487,1222 0.547,1223 1.5,1224 1.101,1225 1.001,1226 1.465,1227 1.383,1228 0.391,1229 1.419,1230 1,1231 0.898,1232 1.273,1233 1.373,1234 0.09,1235 1.364,1236 4.043,1238 5.38,1240 6.93,1242 8.579,1244 10.278,1246 6.557,1250 11.55,1254 16.158,1257 1.861,1262 28.96,1263 77.894,1264 162.045,1265 191.29,1266 204.045,1267 206.8,1268 215.064,1269 39.099,1270 7.255,1271 121.64,1272 121.64,1273 18,1274 12.575,1275 4.17,1276 3.248,1277 44.26,1278 92,1279 90,1280 0.24,1281 180.995,1282 304.13,1283 433.389,1284 12500,1286 18.845,1287 0.725,1288 0.576,1289 18.845,1290 14.978,1291 12.477,1292 0.446,1293 0.276,1294 7.497,1295 11.661,1296 7.204,1297 6.075,1298 12.477,1299 7.716,1300 11.05,1301 0.276,1302 0.136,1303 11.05,1304 5.447,1305 9.728,1306 0.177,1307 0.072,1308 9.728,1309 3.952,1310 8.22,1311 0.114,1312 0.036,1313 8.22,1314 2.625,1315 6.556,1316 0.072,1317 0.019,1318 6.556,1319 1.736,1320 0.371,1321 80.633,1322 0.236,1323 24.701,1324 0.679,1325 136,1326 462.412,1327 155.543,1328 436.098,1329 601.49,1330 410,1331 163,1332 450.946,1333 183.597,1334 457.77,1335 668.33,1336 424,1337 8.432}
{0 CHEMBL14001,1 1.634,2 12.107,3 2.482,4 6.158,5 106.25,6 7.231,7 0.414,8 4.077,9 4.197,10 3.581,11 3.481,12 5.264,13 3.49,14 4.587,15 4.764,16 3.881,17 3.819,18 5.779,19 3.798,20 4.775,21 4.963,22 3.957,23 3.959,24 5.866,25 3.919,26 4.872,27 5.083,28 3.937,29 3.999,30 5.941,31 3.936,32 4.935,33 5.147,34 3.858,35 4.002,36 5.94,37 3.931,38 4.887,39 5.103,40 3.817,41 3.972,42 5.881,43 3.891,44 4.919,45 5.167,46 3.861,47 3.935,48 5.968,49 3.836,50 4.808,51 5.043,52 3.752,53 3.882,54 5.784,55 3.787,56 0.137,57 0.744,58 11.922,59 4.601,60 18.826,61 6.206,62 0.531,63 1.071,64 22.09,65 7.659,66 62.401,67 10.318,68 0.652,69 1.25,70 26.976,71 8.624,72 60.006,73 12.327,74 0.643,75 1.317,76 30.16,77 9.628,78 69.567,79 13.795,80 0.81,81 1.312,82 33.3,83 9.777,84 77.195,85 13.891,86 0.644,87 1.288,88 31.106,89 9.46,90 67.287,91 13.724,92 0.997,93 1.236,94 33.46,95 10,96 90.998,97 14.971,98 0.627,99 1.186,100 28.972,101 8.913,102 54.824,103 13.338,104 52,105 38,106 0.274,107 0.618,108 0.795,109 0.85,110 0.862,111 0.887,112 3.374,113 0.921,114 -2.95,115 -2.96,116 -2.86,119 35.2,121 5,124 2,125 1,139 2,140 2,141 3,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 7,167 1,169 1,170 6,172 3,173 4,175 2,178 6,179 1,180 1,181 2,182 8,187 2,189 3,190 1,191 1,192 1,193 9,195 1,196 1,197 1,198 3,200 2,201 1,202 1,204 2,205 1,207 10,212 4,215 2,218 3,221 3,222 1,226 1,229 4,231 1,233 5,234 2,236 2,237 3,239 2,241 5,243 2,245 2,246 2,248 1,249 1,254 4,255 1,260 4,261 1,262 2,263 2,265 2,268 3,269 1,270 1,273 1450,274 18.654,275 18.654,276 18.654,277 18.654,278 18.654,279 16.894,280 26.141,281 11.27,282 19.308,283 14.197,284 14.197,285 14.197,286 14.197,287 14.197,288 11.422,289 33.208,290 5.217,291 15.058,292 4.121,293 2.076,294 1.019,295 0.695,296 0.621,297 0.472,298 4.039,301 1,302 1,303 685,304 3.937,307 209.064,314 1.98,315 35.738,318 1,319 0.67,320 0.83,321 1,322 1,323 0.67,325 0.74,326 63,327 339,328 4.431,329 3.596,330 6.528,331 4.026,332 3.076,333 4.114,334 2.341,335 10.289,336 2.927,337 4.228,338 3.393,339 6.088,340 3.81,341 2.856,342 3.875,343 0.86,344 8.842,345 2.72,346 3.6,347 3.078,348 5.281,349 3.242,350 2.279,351 2.934,352 0.86,353 6.715,354 2.223,355 3.55,356 2.609,357 5.209,358 3.231,359 2.237,360 2.71,361 0.86,362 6.231,363 2.166,364 3.374,365 2.537,366 4.921,367 3.013,368 2.104,369 2.663,370 0.68,371 5.65,372 1.903,373 3.362,374 2.184,375 4.659,376 2.939,377 1.999,378 2.618,380 5.184,381 1.868,382 2.823,383 2.052,384 4.148,385 2.657,386 1.677,387 1.952,389 3.676,390 1.637,391 2.742,392 1.731,393 3.895,394 2.353,395 1.422,396 1.741,398 3.479,399 1.32,400 2.267,401 1.55,402 3.64,403 2.092,404 1.202,405 1.25,407 2.603,408 1.058,409 2.013,410 1.334,411 3.152,412 1.825,413 0.908,414 0.97,415 1.865,416 0.821,417 1.612,418 0.985,419 2.977,420 1.326,421 0.415,422 0.474,423 0.871,424 0.372,425 1.496,426 0.81,427 2.771,428 1.24,429 0.319,430 0.363,431 0.603,432 0.29,433 1.358,434 0.626,435 2.488,436 1.145,437 0.245,438 0.264,439 0.403,440 0.22,441 0.973,442 0.401,443 2.359,444 0.663,445 -0.266,446 -0.306,448 -0.516,449 -0.244,450 0.822,451 0.182,452 2.345,453 0.546,454 -0.419,455 -0.479,457 -1.008,458 -0.4,459 12.767,460 0.456,461 0.647,462 0.023,463 34,464 1.214,465 16,466 0.571,467 18,468 0.643,469 24.139,470 0.862,471 32.833,472 0.608,473 26.979,474 0.964,475 6.887,476 0.246,477 6.552,478 0.234,479 0.193,481 0.313,485 0.957,486 1.423,487 0.862,488 1.271,489 0.905,490 1.064,491 0.95,492 0.956,493 0.85,494 1.009,495 0.52,496 0.933,497 0.97,498 1.163,499 0.969,500 1.098,501 0.937,502 1.043,503 0.933,504 1.069,505 1.003,506 1.15,507 0.822,508 1.1,509 1.394,510 0.99,511 1.182,512 0.994,513 0.972,514 1.045,515 1.168,516 1.136,517 1.155,518 1.159,519 0.936,520 1.159,521 0.656,522 0.883,523 0.804,524 0.929,525 0.558,526 0.923,527 0.827,528 1.124,529 0.951,530 1.11,531 0.533,532 1.08,533 6,534 0.202,535 2.667,536 1.938,537 1.618,538 0.729,539 0.69,540 0.432,541 0.32,542 0.248,543 9185,544 30190,545 1.936,546 48.1,547 6,548 10,550 1,551 5,552 2,553 2,555 1.712,556 1.787,557 3.528,558 2.538,559 1,560 1,564 88.232,565 1.634,566 3.679,567 4.736,568 5.06,569 5.134,570 5.282,571 3.071,572 4.182,573 4.769,574 3.737,575 1412.5,576 8.31,577 19403.8,579 1,581 1,582 310.764,583 1.493,584 4.719,585 0.207,586 0.009,587 0.07,588 0.048,589 0.043,590 0.021,591 0.021,592 0.013,593 0.01,594 0.009,595 0.451,596 0.17,597 0.88,598 2.023,599 142.542,600 -0.121,601 -0.096,602 0.012,603 -0.058,604 -0.127,605 0.008,606 0.045,607 0.162,608 0.094,609 0.088,610 0.208,611 0.092,612 0.001,613 -0.073,614 -0.022,615 -0.022,616 -0.081,617 -0.025,618 -0.019,619 -0.017,620 -0.054,621 -0.103,622 -0.043,623 -0.087,624 -0.265,625 -0.015,626 -0.192,627 0.02,628 -0.18,629 -0.06,630 -0.19,631 -0.124,632 -0.192,633 -0.128,634 -0.164,635 -0.157,636 0.275,637 0.03,638 0.177,639 0.066,640 0.185,641 0.083,642 0.029,643 -0.14,644 0.001,645 -0.084,646 0.033,647 -0.062,648 2.453,649 3.551,650 0.429,651 32.056,652 1.014,653 1.141,654 1.725,655 2.975,656 0.624,657 3.401,658 3.664,659 3.85,660 4.06,661 4.234,662 4.248,663 4.317,664 4.394,665 4.466,666 4.443,667 7.143,668 0.601,669 390.49,670 3.401,671 4.905,672 5.714,673 6.564,674 7.397,675 8.256,676 9.102,677 9.966,678 10.82,679 11.688,680 7.4,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 3,718 54,719 13,720 1,721 29,723 55,724 19,725 10,726 4,727 2,729 2,730 2,739 5,741 11,742 8,744 1,748 1,751 1,754 1,757 26,758 9,759 5,760 9,764 4,769 1,770 5,776 1,781 2,792 1,800 1,802 2,806 2,810 28,811 2,815 1,816 6,818 3,829 9.3,831 1,832 1,834 3,836 15.667,837 9.933,838 6.5,839 2.996,840 2.274,841 1.33,842 0.908,843 8.603,844 9.162,845 3.611,846 4.143,847 4.61,848 5.118,849 5.61,850 5.746,851 5.966,852 6.305,853 6.646,854 6.898,855 1,856 40,857 10.288,859 4.149,860 7.994,861 19.176,863 14.671,865 2.494,866 69.833,869 1,870 247.193,871 94.269,872 99.365,874 100.828,877 94.269,878 348.021,879 99.365,880 21.766,881 17.265,882 84.747,883 114.08,884 64.149,885 4.227,886 235.422,888 247.193,889 193.635,890 100.828,893 223.651,894 124.37,897 28.212,898 131.852,899 33.571,901 247.193,902 200.193,903 94.269,906 247.193,907 44.503,908 49.766,910 200.193,911 247.193,912 200.193,913 94.269,915 0.562,916 0.317,917 0.169,918 0.09,919 14,920 8,921 0.2,922 11,924 1,925 3.917,926 219.537,928 12,929 134.606,933 22.047,934 10.926,935 6.706,937 200.193,938 5.292,939 7.957,943 3.655,945 108.478,946 541.656,947 36,951 10.551,954 -0.786,956 54.763,957 61.607,958 0.284,959 0.639,960 0.823,961 0.879,962 0.892,963 0.918,964 4.82,965 1.422,966 5.68,967 3.676,968 4.344,969 4.828,970 2.703,971 6.435,972 4.235,973 6.003,974 1.202,975 7.207,976 3.479,977 3.892,978 4.677,979 2.243,980 7.261,981 3.747,982 7.294,983 0.908,984 8.834,985 2.603,986 5.878,987 6.963,988 3.722,989 10.324,990 5.68,991 8.621,992 0.415,993 10.521,994 1.865,995 6.217,996 7.587,997 4.112,998 11.981,999 5.968,1000 9.978,1001 0.319,1002 12.246,1003 0.871,1004 7.683,1005 9.396,1006 5.216,1007 14.574,1008 7.396,1009 11.357,1010 0.245,1011 14,1012 0.603,1013 8.411,1014 10.387,1015 5.889,1016 16.594,1017 8.065,1018 12.753,1019 -0.266,1020 15.774,1021 0.403,1022 9.661,1023 11.995,1024 6.851,1025 19.016,1026 9.28,1027 3.076,1028 -0.419,1029 17.565,1030 -0.516,1031 10.585,1032 13.175,1033 7.625,1034 21.198,1035 10.143,1036 2.856,1037 10.289,1038 19.369,1039 -1.008,1040 11.744,1041 14.685,1042 8.526,1043 23.555,1044 11.264,1045 2.279,1046 8.842,1047 21.183,1048 4.114,1049 12.764,1050 15.965,1051 9.342,1052 25.81,1053 12.225,1054 2.237,1055 6.715,1056 23.005,1057 3.875,1058 13.888,1059 17.423,1060 10.216,1061 28.143,1062 13.306,1063 2.104,1064 6.231,1065 24.835,1066 2.934,1067 14.953,1068 18.757,1069 11.051,1070 30.433,1071 14.316,1072 1.999,1073 5.65,1074 26.671,1075 2.71,1076 16.064,1077 20.189,1078 11.912,1079 32.757,1080 15.381,1081 1.677,1082 5.184,1083 28.512,1084 2.663,1085 17.151,1086 21.553,1087 12.755,1088 35.063,1089 16.415,1090 9435,1091 17203,1092 18.493,1093 33.671,1094 41.435,1095 42.899,1096 43.64,1097 41.409,1098 41.48,1099 51.856,1100 11.202,1101 112.821,1102 39.051,1103 5.359,1104 5.596,1105 6.353,1106 5.095,1107 5.076,1108 7.114,1109 3.925,1110 17.223,1111 4.927,1112 17.485,1113 1.429,1114 1.479,1115 1.505,1116 1.428,1117 1.43,1118 1.788,1119 0.386,1120 3.89,1121 1.347,1122 3.994,1123 4.019,1124 3.951,1125 3.896,1126 7.474,1127 3.905,1128 3.817,1129 3.859,1130 3.783,1131 3.649,1132 6.351,1133 3.676,1134 3.743,1135 3.791,1136 3.611,1137 3.601,1138 5.291,1139 3.592,1140 3.473,1141 3.507,1142 3.353,1143 3.252,1144 4.982,1145 3.265,1146 3.318,1147 3.377,1148 3.193,1149 3.078,1150 4.958,1151 3.099,1152 3.249,1153 3.312,1154 3.075,1155 2.952,1156 4.553,1157 2.968,1158 3.138,1159 3.226,1160 2.972,1161 2.862,1162 4.47,1163 2.872,1164 3.062,1165 3.132,1166 2.899,1167 2.768,1168 4.437,1169 2.789,1170 0.153,1171 0.124,1172 0.225,1173 0.139,1174 0.106,1175 4.431,1176 0.142,1177 3.596,1178 0.081,1179 6.528,1180 0.355,1181 4.026,1182 0.101,1183 3.076,1184 4.114,1185 2.341,1186 10.289,1187 2.927,1188 1.929,1189 1.912,1190 2.023,1191 2.052,1192 1.331,1193 2.04,1194 1.751,1195 1.704,1196 1.979,1197 1.942,1198 1.207,1199 1.945,1200 1.714,1201 1.669,1202 1.806,1203 1.894,1204 0.946,1205 1.881,1206 1.409,1207 1.365,1208 1.67,1209 1.662,1210 0.856,1211 1.657,1212 1.248,1213 1.187,1214 1.575,1215 1.539,1216 0.574,1217 1.549,1218 1.189,1219 1.114,1220 1.568,1221 1.521,1222 0.572,1223 1.536,1224 1.072,1225 0.995,1226 1.346,1227 1.392,1228 0.456,1229 1.385,1230 0.966,1231 0.904,1232 1.272,1233 1.32,1234 0.354,1235 1.303,1236 4.078,1238 5.352,1240 6.815,1242 8.377,1244 9.998,1246 3.098,1250 11.465,1251 8.674,1252 3.205,1254 16.722,1262 32.454,1263 88.232,1264 198.686,1265 255.744,1266 273.254,1267 277.254,1268 285.254,1269 71.169,1270 6.889,1271 142.81,1272 142.81,1273 12,1274 12.236,1275 3.807,1276 3,1277 61.87,1278 115,1279 138,1280 0.255,1281 204.905,1282 360.21,1283 491.728,1284 8290,1286 20.518,1287 0.733,1288 0.575,1289 20.518,1290 16.104,1291 13.439,1292 0.463,1293 0.307,1294 8.709,1295 12.65,1296 8.48,1297 7.096,1298 13.439,1299 8.906,1300 11.615,1301 0.306,1302 0.163,1303 11.615,1304 6.198,1305 8.831,1306 0.192,1307 0.089,1308 8.831,1309 4.108,1310 7.167,1311 0.126,1312 0.048,1313 7.167,1314 2.721,1315 5.503,1316 0.081,1317 0.026,1318 5.503,1319 1.781,1320 0.404,1321 86.368,1322 0.233,1323 27.123,1324 0.688,1325 134,1326 483.007,1327 153.778,1328 449.161,1329 591.97,1330 418,1331 151,1332 415.184,1333 169.174,1334 417.509,1335 599.4,1336 387,1337 4.456}
{0 CHEMBL140323,1 1.815,2 9.261,3 2.681,4 7.19,5 90.867,6 8.524,7 0.64,8 3.801,9 3.903,10 3.514,11 3.31,12 5.029,13 3.303,14 4.266,15 4.415,16 3.914,17 3.68,18 5.478,19 3.65,20 4.347,21 4.465,22 4.047,23 3.816,24 5.549,25 3.762,26 4.459,27 4.591,28 4.027,29 3.824,30 5.71,31 3.748,32 4.506,33 4.695,34 3.737,35 3.76,36 5.592,37 3.67,38 4.483,39 4.7,40 3.595,41 3.699,42 5.512,43 3.568,44 4.388,45 4.635,46 3.424,47 3.459,48 5.412,49 3.366,50 4.135,51 4.335,52 3.334,53 3.191,54 5.322,55 3.177,56 0.131,57 0.601,58 7.323,59 3.484,60 12.481,61 3.78,62 0.403,63 0.906,64 15.188,65 6.086,66 31.585,67 6.64,68 0.371,69 1.044,70 17.497,71 6.613,72 20.982,73 6.751,74 0.439,75 1.092,76 23.895,77 8.236,78 33.81,79 8.85,80 0.505,81 1.052,82 21.26,83 7.353,84 41.641,85 8.451,86 0.345,87 1.028,88 22.797,89 7.939,90 32.673,91 9.953,92 0.43,93 0.865,94 24.488,95 6.981,96 39.053,97 8.689,98 0.508,99 0.631,100 13.882,101 4.467,102 35.88,103 5.718,104 30,105 36,106 0.323,107 0.7,108 0.791,109 0.821,110 0.831,111 0.84,112 3.189,113 0.911,114 -3.48,115 -3.46,116 -3.3,119 38.5,120 1,124 2,139 3,140 1,141 4,144 1,147 1,149 1,155 1,157 1,158 1,159 1,166 1,169 1,170 4,172 2,173 4,175 3,178 4,181 1,182 3,187 1,189 4,193 5,196 2,197 3,198 2,200 2,201 2,204 1,207 2,212 3,215 3,221 5,226 5,229 1,231 2,234 4,237 1,239 1,245 2,246 1,249 2,251 2,256 2,259 2,263 1,265 1,270 1,273 678,274 15.411,275 15.411,276 15.411,277 15.411,278 15.411,279 13.408,280 17.2,281 8.792,282 16.179,283 12.198,284 12.198,285 12.198,286 12.198,287 12.198,288 9.054,289 17.506,290 3.989,291 13.309,292 3.471,293 1.354,294 0.847,295 0.673,296 0.622,297 0.571,298 3.865,300 1,301 1,302 1,303 450,304 2.739,306 47.811,307 129.3,310 90.421,314 1.251,315 23.537,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51,327 213,328 4.707,329 4.594,330 6.909,331 4.216,332 3.272,333 4.68,334 2.95,335 11.586,336 3.084,337 4.263,338 3.418,339 6.166,340 3.833,341 2.894,342 3.91,343 0.86,344 9.131,345 2.706,346 3.85,347 3.124,348 5.713,349 3.397,350 2.494,351 3.327,352 0.86,353 7.609,354 2.251,355 3.532,356 2.811,357 5.229,358 3.097,359 2.192,360 2.876,362 6.482,363 1.96,364 3.424,365 2.281,366 5.117,367 2.945,368 2.029,369 2.78,371 5.987,372 1.856,373 3.193,374 2.187,375 4.932,376 2.718,377 1.785,378 2.458,380 5.399,381 1.656,382 2.919,383 2.152,384 4.369,385 2.521,386 1.609,387 2.057,389 4.127,390 1.461,391 2.541,392 1.838,393 4.212,394 2.11,395 1.218,396 1.553,398 3.422,399 1.072,400 1.927,401 1.233,402 3.183,403 1.599,404 0.711,405 0.839,407 1.342,408 0.624,409 1.497,410 0.937,411 2.965,412 1.214,413 0.368,414 0.403,415 0.549,416 0.309,417 1.298,418 0.728,419 2.729,420 0.942,421 0.081,422 0.095,423 0.181,424 0.068,425 1.14,426 0.5,427 2.565,428 0.656,429 -0.246,430 -0.328,431 -0.659,432 -0.22,433 0.85,434 -0.054,435 2.441,436 0.47,437 -0.435,438 -0.52,439 -0.882,440 -0.384,441 0.647,442 -0.167,443 2.329,444 0.305,445 -0.585,446 -0.676,448 -1.347,449 -0.516,450 0.583,451 -0.252,452 2.184,453 0.154,454 -0.784,455 -0.954,457 -1.965,458 -0.712,459 10.933,460 0.475,461 0.644,462 0.028,463 32,464 1.391,465 16.5,466 0.717,467 15.5,468 0.674,469 17.185,470 0.747,471 25.067,472 0.643,473 22.634,474 0.984,475 6.461,476 0.281,477 4.567,478 0.199,479 0.204,481 0.412,485 1.047,486 1.222,487 0.744,488 0.922,489 1.116,490 0.844,491 1.016,492 0.712,493 0.71,494 0.658,495 0.628,496 0.608,497 1.052,498 1.184,499 1.205,500 1.153,501 0.91,502 0.941,503 0.76,504 1.32,505 1.374,506 1.647,507 0.734,508 1.273,509 1.252,510 0.969,511 1.108,512 0.972,513 1.265,514 1.089,515 0.743,516 1.217,517 1.115,518 1.269,519 0.921,520 1.243,521 0.915,522 0.975,523 1.13,524 1.1,525 1.012,526 0.922,527 1.078,528 0.921,529 0.655,530 0.758,531 0.89,532 0.891,533 5.5,534 0.078,535 2.667,536 2.479,537 1.658,538 0.931,539 0.38,540 0.432,541 0.3,542 0.13,543 5098,544 16509,545 2.016,546 41,548 9,551 4,552 3,555 1.66,556 1.84,557 3.17,558 1.908,559 1,560 1,562 1,564 70.772,565 1.815,566 3.932,567 4.439,568 4.612,569 4.663,570 4.715,571 2.616,572 4.176,573 4.496,574 3.287,575 831.637,576 7.753,577 9226.48,578 1,579 1,580 1,581 1,582 206.131,583 1.538,584 4.428,585 0.22,586 0.011,587 0.074,588 0.065,589 0.047,590 0.033,591 0.016,592 0.02,593 0.015,594 0.009,595 0.511,596 0.17,597 1,598 0.982,599 106.27,600 -0.174,601 -0.07,602 0.034,603 0.048,604 -0.245,605 0.052,606 0.023,607 0.355,608 0.24,609 0.363,610 0.155,611 0.333,612 -0.099,613 0.005,614 -0.042,615 0.048,616 -0.103,617 -0.004,618 0.17,619 -0.219,620 -0.11,621 -0.374,622 0.217,623 -0.269,624 -0.272,625 0.02,626 -0.19,627 -0.012,628 -0.273,629 -0.132,630 -0.034,631 -0.264,632 -0.119,633 -0.24,634 -0.044,635 -0.206,636 -0.003,637 -0.058,638 -0.017,639 -0.075,640 -0.02,641 0.11,642 0.214,643 -0.059,644 0.098,645 0.011,646 0.176,647 0.028,648 1.806,649 4.098,650 0.652,651 16.847,652 1.02,653 1.129,654 2.25,655 5.06,656 0.682,657 3.258,658 3.611,659 3.912,660 4.22,661 4.407,662 4.477,663 4.533,664 4.663,665 4.682,666 4.625,667 5.384,668 0.656,669 332.42,670 3.258,671 4.812,672 5.68,673 6.583,674 7.47,675 8.378,676 9.272,677 10.182,678 11.08,679 11.991,680 10.3,684 1,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 1,715 1,716 2,718 39,719 16,720 1,721 25,723 41,724 15,725 12,726 3,727 3,729 3,730 4,734 1,741 12,742 3,753 1,754 1,757 16,758 6,759 4,760 8,761 1,764 4,769 0.667,770 3,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 3,810 23,811 1,815 1,818 2,819 1,829 7.7,831 1,834 2,836 12.5,837 7.933,838 5.139,839 1.965,840 3.173,841 1.451,842 0.962,843 4.454,844 10.214,845 3.526,846 4.216,847 4.865,848 5.518,849 6.041,850 6.363,851 6.707,852 7.132,853 7.346,854 7.581,855 1,856 38,857 8.422,859 3.526,860 7.862,861 15.717,863 12.439,865 2.362,866 54.333,870 141.253,871 113.772,872 83.254,874 64.683,876 32.22,877 81.552,878 205.936,879 83.254,880 30.591,882 61.326,883 77.97,884 54.947,885 4.656,886 173.473,888 141.253,889 164.806,890 64.683,891 32.22,893 141.253,894 64.683,897 29.225,898 102.01,899 33.571,900 32.22,901 141.253,902 147.937,903 113.772,906 141.253,907 54.752,908 59.02,909 16.786,910 131.151,911 141.253,912 147.937,913 113.772,915 0.584,916 0.359,917 0.205,918 0.108,919 18,920 9,921 0.098,922 4,923 1,924 1.133,925 3.387,926 187.343,927 0.133,928 15,929 104.042,930 1,933 16.079,934 6.371,935 3.006,936 1.062,937 131.151,938 5.621,939 7.936,940 3.112,943 3.826,945 92.366,946 402.962,947 33,956 39.767,957 44.033,958 0.343,959 0.744,960 0.84,961 0.873,962 0.882,963 0.892,964 4.771,965 1.218,966 5.694,967 4.127,968 4.29,969 4.902,970 3.062,971 6.553,972 4.126,973 6.021,974 0.711,975 7.286,976 3.422,977 4.007,978 4.913,980 7.538,981 3.783,982 7.364,983 0.368,984 8.973,985 1.342,986 5.932,987 7.232,988 5.041,989 10.658,990 5.634,991 8.744,992 0.081,993 10.716,994 0.549,995 6.431,996 8.04,998 12.474,999 6.075,1000 10.154,1001 -0.246,1002 12.494,1003 0.181,1004 7.867,1005 9.875,1006 7.186,1007 15.134,1008 7.454,1009 11.587,1010 -0.435,1011 14.299,1012 -0.659,1013 8.731,1014 11.064,1016 17.316,1017 8.26,1018 13.038,1019 -0.585,1020 16.123,1021 -0.882,1022 9.985,1023 12.71,1024 9.348,1025 19.824,1026 9.463,1027 3.272,1028 -0.784,1029 17.964,1030 -1.347,1031 11.015,1032 14.084,1034 22.161,1035 10.436,1036 2.894,1037 11.586,1038 19.819,1039 -1.965,1040 12.205,1041 15.656,1042 11.511,1043 24.62,1044 11.574,1045 2.494,1046 9.131,1047 21.686,1048 4.68,1049 13.311,1050 17.116,1052 27.02,1053 12.622,1054 2.192,1055 7.609,1056 23.562,1057 3.91,1058 14.481,1059 18.661,1060 13.675,1061 29.466,1062 13.739,1063 2.029,1064 6.482,1065 25.446,1066 3.327,1067 15.621,1068 20.162,1070 31.893,1071 14.822,1072 1.785,1073 5.987,1074 27.337,1075 2.876,1076 16.788,1077 21.699,1078 15.838,1079 34.337,1080 15.934,1081 1.609,1082 5.399,1083 29.234,1084 2.78,1085 17.945,1086 23.219,1088 36.775,1089 17.034,1090 5086,1091 9280,1092 16.126,1093 26.602,1094 37.305,1095 40.778,1096 39.992,1097 37.208,1098 37.305,1099 49.957,1100 9.34,1101 111.63,1102 34.092,1103 5.491,1104 6.594,1105 6.462,1106 5.369,1107 5.272,1108 7.68,1109 5.9,1110 18.634,1111 5.084,1112 13.361,1113 1.492,1114 1.631,1115 1.6,1116 1.488,1117 1.492,1118 1.998,1119 0.374,1120 4.465,1121 1.364,1122 4.106,1123 4.143,1124 4.193,1125 4.008,1126 6.476,1127 4.006,1128 3.889,1129 3.901,1130 3.892,1131 3.802,1132 5.217,1133 3.807,1134 3.462,1135 3.536,1136 3.508,1137 3.249,1138 4.929,1139 3.266,1140 3.252,1141 3.314,1142 3.268,1143 3.038,1144 4.788,1145 3.023,1146 3.247,1147 3.31,1148 3.051,1149 2.951,1150 4.496,1151 2.958,1152 3.048,1153 3.139,1154 2.948,1155 2.818,1156 4.293,1157 2.808,1158 2.927,1159 3.007,1160 2.845,1161 2.703,1162 4.161,1163 2.671,1164 2.811,1165 2.872,1166 2.729,1167 2.613,1168 3.793,1169 2.635,1170 0.188,1171 0.184,1172 0.276,1173 0.169,1174 0.131,1175 4.707,1176 0.187,1177 4.594,1178 0.118,1179 6.909,1180 0.463,1181 4.216,1182 0.123,1183 3.272,1184 4.68,1185 2.95,1186 11.586,1187 3.084,1188 1.877,1189 1.87,1190 1.936,1191 1.993,1192 1.089,1193 1.969,1194 1.778,1195 1.748,1196 1.806,1197 1.959,1198 0.931,1199 1.935,1200 1.584,1201 1.531,1202 1.765,1203 1.761,1204 0.827,1205 1.768,1206 1.199,1207 1.135,1208 1.576,1209 1.524,1210 0.575,1211 1.539,1212 1.191,1213 1.114,1214 1.557,1215 1.485,1216 0.573,1217 1.513,1218 1.025,1219 0.94,1220 1.252,1221 1.354,1222 0.253,1223 1.339,1224 0.856,1225 0.771,1226 1.154,1227 1.197,1228 0.161,1229 1.196,1230 0.814,1231 0.737,1232 1.098,1233 1,1234 0.009,1235 1.041,1236 3.932,1238 5.273,1239 2.398,1240 6.812,1241 4.844,1242 8.447,1243 7.034,1244 10.131,1246 5.084,1250 5.567,1251 10.098,1254 10.555,1255 1.472,1262 25.578,1263 70.772,1264 153.337,1265 173.111,1266 179.866,1267 181.866,1268 183.866,1269 34.385,1270 7.041,1271 106.28,1272 131.58,1273 17,1274 12.508,1275 4.087,1276 3.17,1277 36.77,1278 74,1279 75,1280 0.25,1281 162.28,1282 268.68,1283 387.724,1284 9551,1286 16.56,1287 0.72,1288 0.595,1289 16.914,1290 13.692,1291 11.028,1292 0.441,1293 0.304,1294 6.694,1295 9.973,1296 6.376,1297 5.344,1298 11.437,1299 7.594,1300 10.02,1301 0.278,1302 0.164,1303 10.662,1304 5.911,1305 8.483,1306 0.173,1307 0.093,1308 9.309,1309 4.56,1310 7.533,1311 0.112,1312 0.05,1313 8.454,1314 3.345,1315 5.751,1316 0.071,1317 0.029,1318 6.744,1319 2.371,1320 0.383,1321 74.574,1322 0.249,1323 22.187,1324 0.713,1325 122,1326 407.416,1327 163.004,1328 407.801,1329 559.45,1330 382,1331 146,1332 400.596,1333 184.573,1334 421.967,1335 619.03,1336 393,1337 4.678}
{0 CHEMBL140597,1 1.902,2 9.88,3 1.842,4 3.393,5 92.704,6 9.036,7 0.63,8 3.836,9 3.927,10 3.7,11 3.359,12 5.077,13 3.357,14 4.319,15 4.444,16 4.027,17 3.696,18 5.764,19 3.705,20 4.454,21 4.566,22 4.153,23 3.842,24 5.925,25 3.841,26 4.56,27 4.683,28 4.084,29 3.848,30 5.974,31 3.83,32 4.619,33 4.787,34 4,35 3.783,36 5.957,37 3.739,38 4.517,39 4.718,40 3.828,41 3.66,42 5.992,43 3.577,44 4.368,45 4.571,46 3.571,47 3.45,48 5.647,49 3.411,50 4.121,51 4.285,52 3.374,53 3.244,54 5.565,55 3.246,56 0.192,57 0.649,58 8.172,59 3.721,60 25.55,61 3.501,62 0.554,63 0.953,64 14.305,65 5.843,66 65.517,67 5.97,68 0.593,69 1.124,70 17.113,71 6.776,72 44.984,73 6.44,74 0.616,75 1.138,76 19.1,77 7.74,78 71.08,79 7.386,80 0.896,81 1.126,82 22.693,83 7.265,84 95.551,85 7.924,86 0.833,87 0.988,88 25.86,89 7.98,90 95.8,91 9.562,92 0.661,93 0.797,94 22.549,95 6.505,96 90.768,97 7.456,98 0.531,99 0.684,100 13.222,101 3.89,102 74.516,103 3.999,104 41,105 40,106 0.333,107 0.654,108 0.743,109 0.82,110 0.828,111 0.837,112 3.268,113 0.946,114 -2.28,115 -2.31,116 -2.28,119 37.5,124 2,139 5,141 3,143 2,144 2,147 1,157 2,158 2,159 2,166 2,169 2,170 4,172 3,173 3,178 1,181 5,182 11,184 1,185 1,189 1,193 8,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,206 2,207 2,209 1,210 1,212 2,215 3,218 2,220 7,221 1,223 2,224 2,229 1,233 1,234 6,239 2,243 2,246 3,248 2,249 2,251 1,256 1,259 2,262 1,263 1,265 2,270 2,273 860,274 16.46,275 16.46,276 16.46,277 16.46,278 16.46,279 14.213,280 17.874,281 9.236,282 17.324,283 13.146,284 13.146,285 13.146,286 13.146,287 13.146,288 9.543,289 19.569,290 4.152,291 14.409,292 3.42,293 1.587,294 1.078,295 0.638,296 0.588,297 0.538,298 3.941,300 1,301 1,302 1,303 520,304 3.464,307 211.959,311 111.472,314 1.494,315 42.277,317 1,318 1,319 0.83,320 1,321 0.4,323 0.83,324 0.5,325 0.65,326 56.5,327 247,328 4.982,329 5.351,330 7.671,331 4.388,332 3.526,333 4.891,334 2.95,335 13.644,336 3.031,337 4.505,338 3.268,339 6.493,340 3.987,341 3.038,342 4.432,343 0.86,344 10.123,345 2.864,346 4.183,347 3.108,348 6.15,349 3.745,350 2.813,351 3.795,352 0.86,353 9.024,354 2.6,355 3.605,356 2.914,357 5.51,358 3.109,359 2.193,360 3.046,362 6.461,363 2.006,364 3.425,365 2.223,366 5.064,367 2.947,368 2.009,369 2.811,371 5.802,372 1.879,373 3.281,374 2.183,375 5.007,376 2.804,377 1.872,378 2.584,380 5.756,381 1.731,382 2.925,383 2.064,384 4.413,385 2.521,386 1.61,387 2.073,389 4.191,390 1.461,391 2.919,392 1.429,393 4.232,394 2.302,395 1.328,396 2.053,398 3.741,399 1.289,400 2.447,401 1.069,402 3.709,403 1.945,404 1.003,405 1.423,407 2.565,408 0.942,409 1.878,410 1.039,411 3.147,412 1.549,413 0.657,414 0.779,415 1.184,416 0.58,417 1.454,418 0.935,419 2.953,420 1.183,421 0.336,422 0.366,423 0.445,424 0.282,425 1.396,426 0.559,427 2.721,428 0.91,429 -0.007,430 -0.009,431 -0.017,432 -0.006,433 1,434 0.084,435 2.618,436 0.473,437 -0.446,438 -0.574,439 -0.88,440 -0.407,441 0.97,442 -0.193,443 2.489,444 0.411,445 -0.491,446 -0.597,448 -1.157,449 -0.433,450 0.816,451 -0.29,452 2.449,453 0.132,454 -0.814,455 -1.058,457 -2.112,458 -0.758,459 11.667,460 0.467,461 0.81,462 0.032,463 38,464 1.52,465 21,466 0.84,467 17,468 0.68,469 15.94,470 0.638,471 27.333,472 0.683,473 30.442,474 1.218,475 7.558,476 0.302,477 4.303,478 0.172,479 0.211,480 0.071,481 0.343,485 0.813,486 1.314,487 0.816,488 1.204,489 0.875,490 0.866,491 1.006,492 0.901,493 0.697,494 0.787,495 0.686,496 0.659,497 0.964,498 1.063,499 1.114,500 1.117,501 0.859,502 0.894,503 1.294,504 1.242,505 1.16,506 1.28,507 1.443,508 1.176,509 1.188,510 1.023,511 1.061,512 1.059,513 1.332,514 1.109,515 0.489,516 0.934,517 1.153,518 1.197,519 0.654,520 1.052,521 1.251,522 0.963,523 1.052,524 0.99,525 1.636,526 0.872,527 1.487,528 1.109,529 1.283,530 1.014,531 1.449,532 1.116,533 7,534 0.099,535 4.222,536 2.5,537 2.031,538 1.34,539 0.629,540 0.351,541 0.242,542 0.209,543 6307,544 22409,545 1.982,546 37.5,548 11,551 4,555 1.682,556 1.796,557 3.265,558 1.894,559 1,560 1,564 76.061,565 1.902,566 3.735,567 4.244,568 4.684,569 4.734,570 4.784,571 2.725,572 4.564,573 4.615,574 3.38,575 1013.94,576 7.993,577 11830.1,578 1,579 1,581 1,582 212.877,583 1.735,584 4.532,585 0.259,586 0.008,587 0.106,588 0.056,589 0.051,590 0.041,591 0.021,592 0.014,593 0.012,594 0.013,595 0.58,596 0.17,597 0.88,598 0.971,599 118.854,600 -0.085,601 -0.09,602 0.163,603 -0.033,604 -0.257,605 0.056,606 0.011,607 0.165,608 0.219,609 0.238,610 0.171,611 0.265,612 -0.003,613 0.107,614 -0.084,615 -0.001,616 0.074,617 -0.004,618 -0.241,619 -0.2,620 -0.187,621 -0.218,622 -0.185,623 -0.248,624 -0.097,625 -0.059,626 -0.07,627 -0.069,628 -0.192,629 -0.154,630 0.432,631 0.02,632 0.038,633 -0.078,634 0.411,635 0.005,636 -0.138,637 -0.118,638 0.042,639 0.042,640 -0.189,641 0.183,642 -0.339,643 -0.1,644 -0.416,645 -0.15,646 -0.203,647 -0.253,648 4.821,649 5.858,650 0.64,651 20.32,652 1.033,653 1.133,654 1.046,655 1.094,656 0.683,657 3.332,658 3.714,659 4.007,660 4.234,661 4.477,662 4.595,663 4.663,664 4.682,665 4.71,666 4.754,667 5.672,668 0.67,669 361.42,670 3.332,671 4.905,672 5.778,673 6.683,674 7.575,675 8.484,676 9.381,677 10.292,678 11.192,679 12.104,680 12.5,684 2,690 3,694 2,695 5,696 3,700 6,702 17,711 2,716 2,718 40,719 19,720 1,721 27,723 42,724 15,725 13,726 3,727 3,729 3,730 4,741 13,742 2,744 2,747 1,748 2,753 1,754 1,757 15,758 9,759 4,760 10,761 1,764 5,769 0.667,770 4,775 1,776 1,781 3,785 1,802 2,804 1,806 2,810 25,811 2,813 1,818 2,829 10,832 2,834 2,836 13.917,837 7.767,838 5.5,839 1.932,840 3.339,841 1.467,842 0.995,843 4.474,844 10.485,845 3.651,846 4.369,847 5.002,848 5.588,849 6.205,850 6.599,851 6.982,852 7.308,853 7.657,854 7.915,855 0.857,856 45,857 9.48,859 4.394,860 8.15,861 16.748,863 13.536,865 2.65,866 66.25,870 129.482,871 96.868,872 116.151,874 66.313,876 6.046,877 90.822,878 195.795,879 116.151,880 21.766,882 119.222,883 94.67,884 38.326,885 5.349,886 129.482,888 129.482,889 206.973,890 66.313,891 6.046,893 129.482,894 66.313,897 6.187,898 150.429,899 56.403,901 129.482,902 182.464,903 96.868,905 6.046,906 129.482,907 21.675,908 69.147,910 182.464,911 129.482,912 182.464,913 96.868,915 0.596,916 0.366,917 0.189,918 0.101,919 20,920 10,921 0.095,922 4,923 1,924 1.125,925 3.484,926 212.577,927 0.125,928 16,929 112.096,932 1,933 17.359,934 6.444,935 3.093,936 0.52,937 182.464,938 7.087,939 11.87,943 0.523,945 65.794,946 408.814,947 37.5,950 -3.904,951 25.717,956 41.313,957 45.325,958 0.357,959 0.702,960 0.797,961 0.88,962 0.89,963 0.899,964 4.907,965 1.328,966 5.832,967 4.191,968 4.394,969 5.056,970 3.062,971 6.744,972 4.219,973 6.195,974 1.003,975 7.474,976 3.741,977 4.29,978 5.27,980 8.061,981 3.968,982 7.582,983 0.657,984 9.23,985 2.565,986 6.142,987 7.495,988 5.041,989 11.136,990 5.759,991 9.014,992 0.336,993 11.056,994 1.184,995 6.825,996 8.489,998 13.277,999 6.261,1000 10.48,1001 -0.007,1002 12.929,1003 0.445,1004 8.24,1005 10.275,1006 7.186,1007 15.989,1008 7.609,1009 11.971,1010 -0.446,1011 14.836,1012 -0.017,1013 9.25,1014 11.594,1016 18.428,1017 8.435,1018 13.481,1019 -0.491,1020 16.769,1021 -0.88,1022 10.527,1023 13.231,1024 9.348,1025 21.052,1026 9.619,1027 3.526,1028 -0.814,1029 18.722,1030 -1.157,1031 11.67,1032 14.69,1034 23.598,1035 10.586,1036 3.038,1037 13.644,1038 20.691,1039 -2.112,1040 12.909,1041 16.275,1042 11.511,1043 26.205,1044 11.707,1045 2.813,1046 10.123,1047 22.672,1048 4.891,1049 14.106,1050 17.794,1052 28.79,1053 12.738,1054 2.193,1055 9.024,1056 24.664,1057 4.432,1058 15.34,1059 19.364,1060 13.675,1061 31.396,1062 13.835,1063 2.009,1064 6.461,1065 26.664,1066 3.795,1067 16.562,1068 20.909,1070 33.996,1071 14.895,1072 1.872,1073 5.802,1074 28.671,1075 3.046,1076 17.799,1077 22.476,1078 15.838,1079 36.605,1080 15.984,1081 1.61,1082 5.756,1083 30.683,1084 2.811,1085 19.034,1086 24.035,1088 39.212,1089 17.058,1090 6286,1091 12007,1092 17.107,1093 27.301,1094 40.666,1095 43.27,1096 43.534,1097 40.753,1098 40.766,1099 56.505,1100 9.34,1101 125.871,1102 37.33,1103 5.745,1104 7.351,1105 7.224,1106 5.528,1107 5.526,1108 7.891,1109 5.9,1110 21.689,1111 5.031,1112 15.235,1113 1.506,1114 1.603,1115 1.612,1116 1.509,1117 1.51,1118 2.093,1119 0.346,1120 4.662,1121 1.383,1122 4.154,1123 4.148,1124 4.754,1125 4.142,1126 7.715,1127 4.063,1128 3.939,1129 3.956,1130 3.963,1131 3.83,1132 6.999,1133 3.84,1134 3.669,1135 3.655,1136 3.759,1137 3.56,1138 5.32,1139 3.519,1140 3.322,1141 3.37,1142 3.283,1143 3.129,1144 4.987,1145 3.136,1146 3.247,1147 3.314,1148 3.051,1149 2.954,1150 4.917,1151 2.962,1152 3.155,1153 3.23,1154 3.007,1155 2.905,1156 4.742,1157 2.899,1158 3.112,1159 3.21,1160 2.988,1161 2.806,1162 4.496,1163 2.843,1164 2.772,1165 2.845,1166 2.582,1167 2.635,1168 4.254,1169 2.611,1170 0.185,1171 0.198,1172 0.284,1173 0.163,1174 0.131,1175 4.982,1176 0.181,1177 5.351,1178 0.109,1179 7.671,1180 0.505,1181 4.388,1182 0.112,1183 3.526,1184 4.891,1185 2.95,1186 13.644,1187 3.031,1188 2.03,1189 2.04,1190 2.006,1191 2.133,1192 1.225,1193 2.134,1194 1.877,1195 1.856,1196 1.934,1197 1.993,1198 1.021,1199 1.989,1200 1.505,1201 1.522,1202 1.576,1203 1.69,1204 0.645,1205 1.696,1206 1.234,1207 1.186,1208 1.565,1209 1.524,1210 0.574,1211 1.539,1212 1.191,1213 1.115,1214 1.496,1215 1.499,1216 0.529,1217 1.512,1218 1.097,1219 1.038,1220 1.273,1221 1.383,1222 0.288,1223 1.364,1224 0.996,1225 0.895,1226 1.115,1227 1.317,1228 0.147,1229 1.353,1230 0.798,1231 0.731,1232 0.996,1233 0.985,1235 1.023,1236 4.007,1238 5.371,1240 6.946,1242 8.615,1244 10.329,1246 2.885,1250 11.291,1254 10.261,1262 26.787,1263 76.061,1264 149.393,1265 169.758,1266 187.367,1267 189.367,1268 191.367,1269 53.801,1270 7.145,1271 143.31,1272 151.69,1273 18,1274 12.62,1275 4.322,1276 3.524,1277 41.702,1278 84,1279 86,1280 0.248,1281 170.144,1282 285.83,1283 406.91,1284 10776,1286 18.19,1287 0.728,1288 0.57,1289 18.44,1290 14.241,1291 11.862,1292 0.439,1293 0.315,1294 6.99,1295 10.405,1296 6.671,1297 5.564,1298 12.65,1299 8.517,1300 11.156,1301 0.279,1302 0.173,1303 12.475,1304 6.901,1305 9.551,1306 0.177,1307 0.095,1308 10.866,1309 5.154,1310 7.729,1311 0.114,1312 0.051,1313 8.799,1314 3.501,1315 6.042,1316 0.069,1317 0.029,1318 7.144,1319 2.492,1320 0.38,1321 84.09,1322 0.242,1323 23.841,1324 0.707,1325 134,1326 491.362,1327 192.391,1328 486.362,1329 656.62,1330 448,1331 161,1332 455.985,1333 225.452,1334 497.219,1335 728.22,1336 462,1337 6.056}
{0 CHEMBL140705,1 1.64,2 8.619,3 2.306,4 5.317,5 81.195,6 8.067,7 0.739,8 3.694,9 3.828,10 3.317,11 3.169,12 4.939,13 3.194,14 4.129,15 4.291,16 3.664,17 3.503,18 5.375,19 3.513,20 4.291,21 4.479,22 3.72,23 3.586,24 5.503,25 3.589,26 4.303,27 4.497,28 3.587,29 3.551,30 5.48,31 3.521,32 4.333,33 4.566,34 3.436,35 3.515,36 5.474,37 3.44,38 4.274,39 4.548,40 3.216,41 3.39,42 5.23,43 3.292,44 4.009,45 4.248,46 3.145,47 3.225,48 5.028,49 3.152,50 3.883,51 4.104,52 3.09,53 3.062,54 5.074,55 3.01,56 0.091,57 0.581,58 6.434,59 2.408,60 11.554,61 3.113,62 0.249,63 0.845,64 11.263,65 4.255,66 22.526,67 5.493,68 0.324,69 0.963,70 13.749,71 4.236,72 26.311,73 5.842,74 0.27,75 0.927,76 14.258,77 4.741,78 26.889,79 6.488,80 0.381,81 0.901,82 15.906,83 4.985,84 36.506,85 7.111,86 0.29,87 0.771,88 16.944,89 5.082,90 31.505,91 7.603,92 0.188,93 0.627,94 11.983,95 4.16,96 19.003,97 5.926,98 0.264,99 0.558,100 10.053,101 3.097,102 22.85,103 4.571,104 11,105 32,106 0.298,107 0.63,108 0.774,109 0.875,110 0.886,111 0.886,112 3.103,113 0.818,114 -3.66,115 -3.63,116 -3.45,119 40,124 1,139 6,141 2,143 2,144 2,147 1,157 2,158 2,159 2,166 4,169 1,170 3,172 3,173 4,175 2,178 2,181 2,182 4,184 1,185 2,187 3,189 1,193 3,195 1,196 1,197 1,198 3,200 2,201 1,204 2,205 1,206 1,207 4,209 1,210 3,211 1,212 2,214 1,215 3,218 2,221 2,229 3,234 2,238 1,239 1,240 1,241 1,243 1,245 2,246 4,248 1,249 1,251 2,256 2,260 2,265 2,270 2,273 518,274 14.248,275 14.248,276 14.248,277 14.248,278 14.248,279 12.16,280 18.356,281 8.369,282 14.709,283 11.303,284 11.303,285 11.303,286 11.303,287 11.303,288 8.171,289 27.064,290 3.903,291 11.992,292 3.489,293 1.661,294 0.865,295 0.307,296 0.25,297 0.25,298 3.785,300 1,301 1,302 1,303 387,304 2.345,307 163.409,311 84.233,314 1.388,315 18.552,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 46,327 181,328 4.543,329 3.162,330 6.503,331 4.036,332 3.085,333 4.492,334 0.86,335 10.183,336 2.932,337 4.209,338 3.065,339 6.156,340 3.808,341 2.856,342 3.815,343 0.4,344 9.104,345 2.716,346 3.737,347 2.516,348 5.296,349 3.281,350 2.352,351 3.209,353 6.805,354 2.186,355 3.428,356 2.181,357 5.062,358 2.964,359 2.037,360 2.811,362 5.803,363 1.884,364 3.366,365 2.051,366 4.973,367 2.897,368 1.957,369 2.691,371 5.757,372 1.834,373 2.917,374 1.816,375 4.311,376 2.476,377 1.53,378 2.089,380 4.001,381 1.441,382 2.848,383 1.455,384 3.709,385 2.398,386 1.413,387 1.985,389 3.022,390 1.389,391 2.452,392 1.058,393 3.621,394 1.953,395 1.006,396 1.431,398 2.565,399 0.951,400 1.766,401 0.94,402 3.024,403 1.444,404 0.546,405 0.644,407 1.011,408 0.486,409 1.516,410 0.425,411 2.725,412 1.136,413 0.223,414 0.276,415 0.474,416 0.203,417 1.084,418 0.009,419 2.628,420 0.709,421 -0.211,422 -0.264,423 -0.469,424 -0.193,425 0.956,426 -0.295,427 2.501,428 0.472,429 -0.449,430 -0.578,431 -1.15,432 -0.411,433 0.634,434 -0.435,435 2.23,436 0.211,437 -0.72,438 -0.889,439 -1.649,440 -0.661,441 0.571,442 -0.714,443 2,444 0.132,445 -0.815,446 -1.099,448 -2.069,449 -0.771,450 0.477,451 -0.777,452 1.726,453 0.094,454 -0.877,455 -1.21,457 -2.367,458 -0.845,459 9.733,460 0.463,461 0.503,462 0.024,463 32.5,464 1.548,465 18,466 0.857,467 14.5,468 0.69,469 11.736,470 0.559,471 22.067,472 0.63,473 21.994,474 1.047,475 6.599,476 0.314,477 3.57,478 0.17,479 0.134,481 0.36,485 1.125,486 1.299,487 0.775,488 0.959,489 1.31,490 0.812,491 0.949,492 1.045,493 0.72,494 0.949,495 0.621,496 0.84,497 1.087,498 1.089,499 0.939,500 0.944,501 0.902,502 0.91,503 1.164,504 1.28,505 1.089,506 1.211,507 0.873,508 1.158,509 0.905,510 0.863,511 1.178,512 1.066,513 1.082,514 1.152,515 0.937,516 0.811,517 0.952,518 0.867,519 0.946,520 0.899,521 0.805,522 0.946,523 0.861,524 1.025,525 0.717,526 0.974,527 0.747,528 1.101,529 1.004,530 1.118,531 0.853,532 1.109,533 4.5,534 0.054,535 2.222,536 1.438,537 1.48,538 0.361,539 0.403,540 0.299,541 0.164,542 0.124,543 4243,544 12549,545 2.074,546 40,548 9,551 5,555 1.632,556 1.938,557 3.105,558 2.845,560 1,562 1,564 57.409,565 1.64,566 3.468,567 4.265,568 4.822,569 4.879,570 4.879,571 2.553,572 4.202,573 4.367,574 3.235,575 679.404,576 7.478,577 7119.5,578 1,579 1,581 1,582 179.525,583 1.418,584 4.322,585 0.196,586 0.011,587 0.069,588 0.044,589 0.053,590 0.016,591 0.021,592 0.017,593 0.01,594 0.011,595 0.447,596 0.5,597 1,598 0.819,599 94.279,600 -0.22,601 -0.103,602 0.006,603 0.031,604 -0.368,605 0.068,606 0.115,607 0.051,608 0.146,609 0.048,610 0.203,611 0.076,612 -0.035,613 0.014,614 -0.047,615 -0.016,616 -0.029,617 -0.029,618 -0.14,619 -0.247,620 -0.178,621 -0.241,622 0.026,623 -0.229,624 0.021,625 0.136,626 -0.222,627 -0.116,628 -0.086,629 -0.201,630 -0.085,631 0.056,632 0.088,633 0.135,634 -0.082,635 0.151,636 0.039,637 -0.037,638 0.122,639 0.013,640 0.074,641 0.071,642 0.278,643 -0.128,644 -0.035,645 -0.155,646 0.18,647 -0.152,648 1.535,649 1.829,650 0.762,651 14.889,652 1.014,653 1.139,654 2.427,655 5.89,656 0.672,657 3.178,658 3.497,659 3.761,660 4.025,661 4.248,662 4.234,663 4.317,664 4.419,665 4.543,666 4.466,667 5.207,668 0.656,669 282.34,670 3.178,671 4.71,672 5.557,673 6.435,674 7.298,675 8.178,676 9.047,677 9.929,678 10.801,679 11.682,680 17.1,684 2,688 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,712 1,716 1,718 35,719 17,720 1,721 23,723 37,724 14,725 13,726 2,727 4,729 3,730 4,741 13,742 1,753 1,754 1,757 14,758 7,759 5,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 1,810 21,811 2,817 1,818 1,829 2.9,834 1,836 10.833,837 6.433,838 4.667,839 1.765,840 3.427,841 1.5,842 1.018,843 3.56,844 10.281,845 3.481,846 4.143,847 4.764,848 5.383,849 5.979,850 6.218,851 6.606,852 7.023,853 7.468,854 7.582,855 0.833,856 33,857 7.65,859 3.189,860 7.817,861 14.271,863 11.221,865 2.317,866 48.667,870 105.94,871 86.584,872 134.162,874 11,877 86.584,878 116.94,879 134.162,880 10.883,882 122.652,883 50.357,884 41.299,885 6.555,886 105.94,888 105.94,889 220.746,890 11,893 105.94,894 11,897 24.198,898 146.191,899 50.357,901 105.94,902 145.162,903 86.584,906 105.94,907 18.843,908 67.741,909 18.011,910 127.151,911 105.94,912 145.162,913 86.584,915 0.578,916 0.344,917 0.192,918 0.103,919 16,920 7,921 0.081,922 3,923 1,924 1.125,925 3.316,926 161.509,927 0.125,928 16,929 92.239,933 13.55,934 5.518,935 2.721,936 1.106,937 145.162,938 11.14,939 12.418,943 2.531,945 83.805,946 337.685,947 31.5,956 35.473,957 39.86,958 0.32,959 0.676,960 0.831,961 0.94,962 0.951,963 0.951,964 4.694,965 1.006,966 5.541,967 3.022,968 4.174,969 4.828,970 1.029,971 6.344,972 4.061,973 5.923,974 0.546,975 7.094,976 2.565,977 3.761,978 4.691,980 7.209,981 3.586,982 7.241,983 0.223,984 8.744,985 1.011,986 5.759,987 7.118,988 0.763,989 10.298,990 5.54,991 8.596,992 -0.211,993 10.451,994 0.474,995 6.133,996 7.782,998 11.968,999 5.85,1000 9.979,1001 -0.449,1002 12.193,1003 -0.469,1004 7.614,1005 9.69,1006 0.597,1007 14.57,1008 7.297,1009 11.384,1010 -0.72,1011 13.96,1012 -1.15,1013 8.369,1014 10.758,1016 16.589,1017 7.989,1018 12.807,1019 -0.815,1020 15.745,1021 -1.649,1022 9.631,1023 12.437,1024 0.47,1025 19.01,1026 9.216,1027 3.085,1028 -0.877,1029 17.544,1030 -2.069,1031 10.573,1032 13.716,1034 21.185,1035 10.098,1036 2.856,1037 10.183,1038 19.354,1039 -2.367,1040 11.741,1041 15.288,1042 0.367,1043 23.534,1044 11.228,1045 2.352,1046 9.104,1047 21.173,1048 4.492,1049 12.771,1050 16.675,1052 25.778,1053 12.202,1054 2.037,1055 6.805,1056 22.999,1057 3.815,1058 13.902,1059 18.201,1060 0.283,1061 28.1,1062 13.29,1063 1.957,1064 5.803,1065 24.831,1066 3.209,1067 14.973,1068 19.642,1070 30.376,1071 14.308,1072 1.53,1073 5.757,1074 26.668,1075 2.811,1076 16.09,1077 21.148,1078 0.217,1079 32.688,1080 15.378,1081 1.413,1082 4.001,1083 28.509,1084 2.691,1085 17.181,1086 22.617,1088 34.98,1089 16.418,1090 4156,1091 7267,1092 15.315,1093 23.534,1094 34.175,1095 34.448,1096 35.224,1097 34.004,1098 34.012,1099 46.886,1100 2.52,1101 97.452,1102 32.043,1103 5.314,1104 5.162,1105 6.198,1106 5.108,1107 5.085,1108 7.492,1109 1.72,1110 17.077,1111 4.932,1112 9.789,1113 1.486,1114 1.498,1115 1.531,1116 1.478,1117 1.479,1118 2.039,1119 0.11,1120 4.237,1121 1.393,1122 4.054,1123 4.098,1124 4.031,1125 3.921,1126 5.325,1127 3.942,1128 3.888,1129 3.916,1130 3.836,1131 3.798,1132 4.99,1133 3.803,1134 3.465,1135 3.536,1136 3.405,1137 3.261,1138 4.899,1139 3.289,1140 3.249,1141 3.315,1142 3.063,1143 2.971,1144 4.759,1145 2.981,1146 3.117,1147 3.229,1148 3.012,1149 2.853,1150 4.394,1151 2.878,1152 3.018,1153 3.106,1154 2.904,1155 2.785,1156 4.244,1157 2.809,1158 2.78,1159 2.856,1160 2.604,1161 2.635,1162 3.915,1163 2.615,1164 2.657,1165 2.757,1166 2.51,1167 2.482,1168 3.783,1169 2.484,1170 0.198,1171 0.137,1172 0.283,1173 0.175,1174 0.134,1175 4.543,1176 0.195,1177 3.162,1178 0.037,1179 6.503,1180 0.443,1181 4.036,1182 0.127,1183 3.085,1184 4.492,1185 0.86,1186 10.183,1187 2.932,1188 1.967,1189 1.932,1190 2.028,1191 2.122,1192 1.093,1193 2.094,1194 1.861,1195 1.835,1196 1.957,1197 1.975,1198 1.02,1199 1.972,1200 1.379,1201 1.316,1202 1.573,1203 1.625,1204 0.574,1205 1.602,1206 1.197,1207 1.125,1208 1.517,1209 1.512,1210 0.443,1211 1.532,1212 1.014,1213 0.929,1214 1.274,1215 1.383,1216 0.224,1217 1.364,1218 0.959,1219 0.872,1220 1.198,1221 1.228,1222 0.142,1223 1.225,1224 0.803,1225 0.731,1226 1.086,1227 0.997,1229 1.035,1230 0.623,1231 0.554,1232 0.925,1233 0.924,1235 0.936,1236 3.85,1238 5.165,1240 6.688,1242 8.31,1244 9.979,1246 1.614,1250 11.391,1253 3.179,1254 5.288,1262 22.95,1263 57.409,1264 121.386,1265 149.26,1266 168.77,1267 170.77,1268 170.77,1269 24.701,1270 6.854,1271 111.97,1272 111.97,1273 18,1274 12.219,1275 4.17,1276 3.248,1277 32.194,1278 66,1279 58,1280 0.246,1281 144.226,1282 234.65,1283 343.671,1284 7934,1286 14.82,1287 0.706,1288 0.541,1289 14.82,1290 11.369,1291 10.169,1292 0.442,1293 0.273,1294 6.147,1295 9.693,1296 6.008,1297 5.025,1298 10.169,1299 6.269,1300 9.105,1301 0.285,1302 0.136,1303 9.105,1304 4.357,1305 7.594,1306 0.181,1307 0.07,1308 7.594,1309 2.956,1310 6.546,1311 0.119,1312 0.037,1313 6.546,1314 2.011,1315 5.235,1316 0.076,1317 0.019,1318 5.235,1319 1.29,1320 0.378,1321 64.34,1322 0.256,1323 20.639,1324 0.692,1325 110,1326 339.628,1327 123.425,1328 333.048,1329 463.97,1330 312,1331 129,1332 354.94,1333 142.287,1334 360.449,1335 525.09,1336 338,1337 6.585}
{0 CHEMBL140940,1 1.496,2 8.4,3 2.528,4 6.391,5 79.628,6 7.834,7 0.773,8 3.652,9 3.796,10 3.261,11 3.163,12 4.867,13 3.168,14 4.094,15 4.276,16 3.619,17 3.511,18 5.299,19 3.501,20 4.284,21 4.487,22 3.671,23 3.618,24 5.44,25 3.595,26 4.31,27 4.521,28 3.541,29 3.602,30 5.45,31 3.539,32 4.359,33 4.61,34 3.375,35 3.564,36 5.412,37 3.456,38 4.258,39 4.538,40 3.162,41 3.402,42 5.186,43 3.278,44 4.006,45 4.274,46 2.992,47 3.177,48 5.027,49 3.074,50 3.788,51 4.057,52 2.795,53 2.92,54 4.847,55 2.832,56 0.049,57 0.578,58 6.442,59 2.347,60 9.977,61 3.227,62 0.182,63 0.86,64 11.092,65 4.054,66 17.977,67 5.647,68 0.214,69 0.995,70 14.088,71 4.43,72 21.609,73 6.38,74 0.179,75 0.975,76 14.643,77 4.953,78 24.464,79 7.132,80 0.269,81 0.939,82 16.903,83 5.673,84 32.073,85 8.27,86 0.175,87 0.793,88 16.4,89 5.311,90 24.635,91 8.044,92 0.173,93 0.638,94 12.334,95 3.793,96 22.835,97 5.702,98 0.122,99 0.511,100 9.923,101 2.82,102 17.242,103 4.357,104 10,105 31,106 0.273,107 0.592,108 0.719,109 0.824,110 0.839,111 0.839,112 3.058,113 0.837,114 -4.42,115 -4.35,116 -4.1,119 41.2,124 1,139 7,141 1,143 2,144 2,147 1,157 2,158 2,159 2,166 5,169 2,170 5,172 3,173 3,178 4,181 2,182 5,184 1,185 1,189 2,193 4,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,206 2,207 3,209 2,210 2,212 2,215 4,218 2,221 1,229 3,234 4,236 1,237 1,239 2,241 1,243 2,246 4,251 2,256 2,260 2,265 3,270 3,273 442,274 13.43,275 13.43,276 13.43,277 13.43,278 13.43,279 11.392,280 16.003,281 7.894,282 13.764,283 10.85,284 10.85,285 10.85,286 10.85,287 10.85,288 7.837,289 23.321,290 3.758,291 11.422,292 3.592,293 1.847,294 1.152,295 0.574,296 0.493,297 0.493,298 3.736,300 1,301 1,302 1,303 362,304 2.449,307 155.085,311 80.575,314 1.3,315 14.019,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 43,327 168,328 4.555,329 3.253,330 6.549,331 4.066,332 3.12,333 4.496,334 0.8,335 10.318,336 2.954,337 4.154,338 3.024,339 6.326,340 3.814,341 2.873,342 3.633,344 9.457,345 2.705,346 3.683,347 2.329,348 5.24,349 3.203,350 2.255,351 3.179,353 6.43,354 2.142,355 3.43,356 2.141,357 5.063,358 2.968,359 2.035,360 2.811,362 5.8,363 1.888,364 3.391,365 2.026,366 4.983,367 2.912,368 1.963,369 2.736,371 5.731,372 1.858,373 2.912,374 1.532,375 3.91,376 2.453,377 1.475,378 2.085,380 3.302,381 1.44,382 2.5,383 1.059,384 3.707,385 2,386 1.008,387 1.5,389 2.565,390 1,391 2.454,392 1,393 3.356,394 1.959,395 1,396 1.435,398 2.136,399 0.956,400 2.061,401 0.907,402 3.247,403 1.711,404 0.766,405 0.958,407 1.891,408 0.722,409 1.327,410 0.081,411 2.731,412 0.884,413 -0.039,414 -0.051,415 -0.098,416 -0.036,417 0.966,418 -0.298,419 2.552,420 0.473,421 -0.447,422 -0.577,423 -1.156,424 -0.41,425 0.658,426 -0.61,427 2.393,428 0.229,429 -0.744,430 -0.964,431 -1.607,432 -0.72,433 0.565,434 -0.677,435 2.051,436 0.132,437 -0.815,438 -1.042,439 -2.091,440 -0.766,441 0.5,442 -0.762,443 1.577,444 0.065,445 -0.869,446 -1.149,448 -2.347,449 -0.813,450 0.404,451 -1,452 1.555,454 -1,455 -1.5,457 -2.502,458 -1,459 9.4,460 0.47,461 0.524,462 0.026,463 31.25,464 1.563,465 17.5,466 0.875,467 13.75,468 0.688,469 11.13,470 0.557,471 20.6,472 0.606,473 20.704,474 1.035,475 6.263,476 0.313,477 3.385,478 0.169,479 0.138,481 0.362,485 1.157,486 1.341,487 0.786,488 0.952,489 1.343,490 0.833,491 0.664,492 1.002,493 0.701,494 0.908,495 0.446,496 0.828,497 1.137,498 1.091,499 0.947,500 0.944,501 0.83,502 0.919,503 1.045,504 1.21,505 1.119,506 1.212,507 0.815,508 1.184,509 0.864,510 0.851,511 1.128,512 1.084,513 1.094,514 1.138,515 0.862,516 0.931,517 0.947,518 0.978,519 0.821,520 0.977,521 1.053,522 0.871,523 1.057,524 0.942,525 1.104,526 0.99,527 1.212,528 1.08,529 1.05,530 0.989,531 1.111,532 0.992,533 4,534 0.025,535 2.444,536 1.625,537 1.249,538 0.535,539 0.403,540 0.22,541 0.107,542 0.078,543 3666,544 10000,545 2.077,546 41.2,548 10,551 4,555 1.618,556 1.935,557 3.065,558 1.977,560 1,562 1,564 50.858,565 1.496,566 3.24,567 3.936,568 4.514,569 4.595,570 4.595,571 2.528,572 3.784,573 4.295,574 3.153,575 599.008,576 7.339,577 5952.21,578 1,579 1,581 1,582 172.974,583 1.441,584 4.248,585 0.182,586 0.008,587 0.079,588 0.051,589 0.046,590 0.024,591 0.022,592 0.015,593 0.009,594 0.011,595 0.447,596 0.33,597 1,598 0.627,599 87.541,600 -0.204,601 -0.157,602 0.019,603 0.018,604 -0.37,605 0.048,606 0.327,607 0.114,608 0.17,609 0.058,610 0.299,611 0.083,612 -0.045,613 -0.002,614 -0.04,615 -0.014,616 0.008,617 -0.024,618 -0.079,619 -0.172,620 -0.209,621 -0.25,622 0.053,623 -0.251,624 0.063,625 0.101,626 -0.156,627 -0.102,628 -0.106,629 -0.154,630 -0.03,631 -0.071,632 0.077,633 0.038,634 0.009,635 0.069,636 -0.092,637 0.049,638 -0.05,639 0.032,640 -0.095,641 0.004,642 -0.174,643 -0.161,644 -0.029,645 -0.04,646 -0.015,647 -0.016,648 1.513,649 1.853,650 0.8,651 13.3,652 1.004,653 1.137,654 3.186,655 10.151,656 0.679,657 3.135,658 3.466,659 3.738,660 3.989,661 4.22,662 4.234,663 4.317,664 4.382,665 4.419,666 4.317,667 4.896,668 0.654,669 266.34,670 3.135,671 4.673,672 5.525,673 6.405,674 7.274,675 8.159,676 9.035,677 9.921,678 10.8,679 11.689,680 17.6,684 2,688 1,690 3,694 2,695 7,696 3,700 4,702 17,711 2,714 1,718 34,719 17,720 1,721 22,723 36,724 14,725 13,726 1,727 5,729 3,730 4,741 13,742 1,753 1,754 1,757 14,758 6,759 4,760 6,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,810 20,811 2,821 1,836 10.333,837 6.3,838 4.361,839 1.781,840 3.277,841 1.489,842 1.026,843 3.124,844 9.977,845 3.45,846 4.111,847 4.738,848 5.359,849 5.964,850 6.222,851 6.627,852 7.025,853 7.426,854 7.523,855 0.833,856 32,857 7.295,859 3.051,860 7.75,861 13.744,863 10.944,865 2.25,866 45,870 117.711,871 88.33,872 119.275,877 88.33,878 117.711,879 119.275,880 8.396,882 132.128,883 50.357,884 10.169,885 6.555,886 117.711,888 117.711,889 207.605,893 117.711,897 9.312,898 147.937,899 50.357,901 117.711,902 119.275,903 88.33,906 117.711,907 13.6,908 77.854,910 116.151,911 117.711,912 119.275,913 88.33,915 0.586,916 0.345,917 0.188,918 0.102,919 16,920 7,921 0.056,922 2,923 1,924 1.125,925 3.21,926 152.777,927 0.125,928 16,929 82.439,933 12.634,934 4.945,935 2.388,936 1.194,937 119.275,938 13.659,939 12.566,943 2.245,945 65.794,946 325.316,947 30.5,956 34.145,957 38.651,958 0.294,959 0.637,960 0.774,961 0.887,962 0.903,963 0.903,964 4.666,965 1,966 5.517,967 2.565,968 4.143,969 4.796,970 0.673,971 6.333,972 4.04,973 5.895,974 0.766,975 7.083,976 2.136,977 3.761,978 4.62,979 0.325,980 7.231,981 3.574,982 7.211,983 -0.039,984 8.748,985 1.891,986 5.74,987 7.072,988 0.379,989 10.342,990 5.525,991 8.564,992 -0.447,993 10.473,994 -0.098,995 6.155,996 7.707,997 0.268,998 12.046,999 5.852,1000 9.946,1001 -0.744,1002 12.234,1003 -1.156,1004 7.625,1005 9.636,1006 0.239,1007 14.674,1008 7.297,1009 11.351,1010 -0.815,1011 14.02,1012 -1.607,1013 8.414,1014 10.686,1015 0.188,1016 16.718,1017 8.004,1018 12.774,1019 -0.869,1020 15.824,1021 -2.091,1022 9.675,1023 12.379,1024 0.156,1025 19.163,1026 9.232,1027 3.12,1028 -1,1029 17.642,1030 -2.347,1031 10.642,1032 13.651,1033 0.125,1034 21.356,1035 10.126,1036 2.873,1037 10.318,1038 19.47,1039 -2.502,1040 11.816,1041 15.234,1042 0.102,1043 23.726,1044 11.259,1045 2.255,1046 9.457,1047 21.306,1048 4.496,1049 12.865,1050 16.622,1051 0.082,1052 25.985,1053 12.243,1054 2.035,1055 6.43,1056 23.148,1057 3.633,1058 14.005,1059 18.156,1060 0.066,1061 28.324,1062 13.336,1063 1.963,1064 5.8,1065 24.995,1066 3.179,1067 15.093,1068 19.601,1069 0.054,1070 30.614,1071 14.363,1072 1.475,1073 5.731,1074 26.847,1075 2.811,1076 16.22,1077 21.114,1078 0.043,1079 32.94,1080 15.44,1081 1.008,1082 3.302,1083 28.701,1084 2.736,1085 17.327,1086 22.588,1087 0.035,1088 35.245,1089 16.489,1090 3579,1091 6032,1092 14.622,1093 23.08,1094 33.326,1095 32.905,1096 34.032,1097 33.074,1098 32.992,1099 45.662,1100 1.6,1101 95.258,1102 31.332,1103 5.302,1104 5.253,1105 6.351,1106 5.139,1107 5.12,1108 7.496,1109 1.2,1110 17.215,1111 4.954,1112 9.115,1113 1.515,1114 1.496,1115 1.547,1116 1.503,1117 1.5,1118 2.076,1119 0.073,1120 4.33,1121 1.424,1122 4.058,1123 4.103,1124 4.035,1125 3.927,1126 5.324,1127 3.947,1128 3.88,1129 3.918,1130 3.817,1131 3.8,1132 4.989,1133 3.8,1134 3.493,1135 3.566,1136 3.427,1137 3.29,1138 4.828,1139 3.317,1140 3.221,1141 3.314,1142 3.071,1143 3.01,1144 4.707,1145 3.012,1146 3.113,1147 3.228,1148 2.999,1149 2.808,1150 4.247,1151 2.847,1152 2.854,1153 2.925,1154 2.687,1155 2.735,1156 3.943,1157 2.715,1158 2.758,1159 2.851,1160 2.557,1161 2.602,1162 3.881,1163 2.576,1164 2.679,1165 2.772,1166 2.531,1167 2.477,1168 3.674,1169 2.486,1170 0.207,1171 0.148,1172 0.298,1173 0.185,1174 0.142,1175 4.555,1176 0.204,1177 3.253,1178 0.036,1179 6.549,1180 0.469,1181 4.066,1182 0.134,1183 3.12,1184 4.496,1185 0.8,1186 10.318,1187 2.954,1188 1.973,1189 1.937,1190 2.046,1191 2.126,1192 1.12,1193 2.1,1194 1.868,1195 1.836,1196 1.968,1197 1.974,1198 1.02,1199 1.979,1200 1.419,1201 1.352,1202 1.631,1203 1.661,1204 0.68,1205 1.652,1206 1.199,1207 1.11,1208 1.467,1209 1.459,1210 0.391,1211 1.478,1212 1,1213 0.898,1214 1.273,1215 1.383,1216 0.218,1217 1.364,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.158,1223 1.107,1224 0.782,1225 0.705,1226 1.071,1227 1.001,1229 1.027,1230 0.636,1231 0.557,1232 0.936,1233 0.928,1235 0.945,1236 3.807,1238 5.13,1240 6.663,1242 8.29,1244 9.965,1246 1.942,1250 11.426,1257 1.967,1262 22.236,1263 50.858,1264 110.161,1265 133.812,1266 153.464,1267 156.219,1268 156.219,1269 22.048,1270 6.7,1271 93.95,1272 93.95,1273 18,1274 12.221,1275 4.17,1276 3.248,1277 29.941,1278 59,1279 54,1280 0.259,1281 140.23,1282 225.86,1283 333.92,1284 6278,1286 14.113,1287 0.706,1288 0.549,1289 14.113,1290 10.985,1291 9.648,1292 0.439,1293 0.279,1294 6.041,1295 9.286,1296 5.882,1297 4.925,1298 9.648,1299 6.135,1300 8.808,1301 0.284,1302 0.142,1303 8.808,1304 4.399,1305 7.436,1306 0.181,1307 0.075,1308 7.436,1309 3.059,1310 6.237,1311 0.118,1312 0.038,1313 6.237,1314 2.016,1315 4.948,1316 0.074,1317 0.019,1318 4.948,1319 1.297,1320 0.394,1321 60.311,1322 0.262,1323 19.679,1324 0.742,1325 106,1326 295.205,1327 116.907,1328 297.176,1329 419.1,1330 278,1331 125,1332 327.31,1333 136.074,1334 333.81,1335 487.15,1336 314,1337 8.886}
{0 CHEMBL141160,1 1.613,2 9.818,3 2.512,4 6.309,5 86.092,6 7.799,7 0.708,8 3.763,9 3.899,10 3.364,11 3.231,12 4.979,13 3.248,14 4.222,15 4.403,16 3.718,17 3.572,18 5.416,19 3.578,20 4.367,21 4.549,22 3.79,23 3.704,24 5.55,25 3.697,26 4.444,27 4.641,28 3.654,29 3.734,30 5.581,31 3.67,32 4.527,33 4.787,34 3.478,35 3.696,36 5.534,37 3.571,38 4.391,39 4.675,40 3.317,41 3.491,42 5.299,43 3.381,44 4.129,45 4.363,46 3.229,47 3.292,48 5.216,49 3.234,50 4.025,51 4.263,52 3.086,53 3.168,54 5.103,55 3.097,56 0.071,57 0.62,58 7.373,59 2.71,60 10.918,61 3.688,62 0.277,63 0.91,64 13.481,65 4.575,66 23.686,67 6.211,68 0.278,69 1.06,70 15.215,71 4.824,72 23.738,73 6.756,74 0.246,75 1.086,76 16.718,77 5.835,78 27.678,79 8.277,80 0.362,81 1.055,82 20.626,83 6.967,84 37.171,85 10.396,86 0.243,87 0.864,88 19.171,89 5.895,90 28.004,91 9.132,92 0.317,93 0.703,94 13.769,95 3.869,96 27.2,97 5.62,98 0.172,99 0.632,100 12.168,101 3.626,102 19.942,103 5.427,104 18,105 34,106 0.288,107 0.63,108 0.763,109 0.836,110 0.836,111 0.836,112 3.147,113 0.832,114 -3.91,115 -3.87,116 -3.67,119 39.5,124 2,139 6,141 2,143 2,144 2,147 1,157 2,158 2,159 2,166 3,169 2,170 7,172 3,173 3,178 2,181 2,182 7,184 1,185 1,189 2,193 3,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,206 3,207 3,209 2,210 2,212 2,215 4,218 2,229 2,233 1,234 5,236 1,237 1,239 2,243 2,246 5,251 2,256 2,265 2,270 2,273 612,274 14.748,275 14.748,276 14.748,277 14.748,278 14.748,279 12.737,280 20.317,281 8.478,282 15.26,283 11.744,284 11.744,285 11.744,286 11.744,287 11.744,288 8.664,289 27.972,290 3.934,291 12.507,292 3.635,293 1.718,294 0.974,295 0.566,296 0.566,297 0.566,298 3.825,300 1,301 1,302 1,303 461,304 2.739,307 179.64,311 94.494,314 1.471,315 17.425,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48,327 216,328 4.555,329 3.258,330 6.549,331 4.068,332 3.121,333 4.496,334 0.86,335 10.319,336 2.955,337 4.189,338 3.034,339 6.329,340 3.833,341 2.889,342 3.729,343 0.8,344 9.468,345 2.728,346 3.832,347 2.794,348 5.389,349 3.413,350 2.473,351 3.295,353 6.98,354 2.319,355 3.534,356 2.289,357 5.13,358 3.083,359 2.162,360 2.886,362 6.185,363 1.992,364 3.424,365 2.11,366 5.061,367 2.947,368 2.007,369 2.811,371 5.797,372 1.88,373 3.265,374 1.972,375 4.967,376 2.81,377 1.863,378 2.557,380 5.634,381 1.757,382 2.5,383 1.254,384 3.755,385 2,386 1.019,387 1.5,389 2.565,390 1,391 2.458,392 1.057,393 3.688,394 1.975,395 1,396 1.44,398 2.338,399 0.971,400 2.183,401 1,402 3.414,403 1.851,404 0.936,405 1.124,407 2.275,408 0.853,409 1.609,410 0.893,411 2.807,412 1.318,413 0.447,414 0.503,415 0.694,416 0.386,417 1.317,418 0.09,419 2.678,420 0.882,421 -0.038,422 -0.05,423 -0.094,424 -0.035,425 0.966,426 -0.212,427 2.535,428 0.474,429 -0.447,430 -0.577,431 -1.09,432 -0.409,433 0.734,434 -0.299,435 2.373,436 0.359,437 -0.572,438 -0.693,439 -1.162,440 -0.526,441 0.57,442 -0.675,443 2.05,444 0.132,445 -0.815,446 -1.042,448 -2.091,449 -0.765,450 0.5,451 -0.76,452 2,453 0.066,454 -0.867,455 -1.147,457 -2.501,458 -0.812,459 10.233,460 0.465,461 0.592,462 0.027,463 33.25,464 1.511,465 18,466 0.818,467 15.25,468 0.693,469 13.283,470 0.604,471 23.367,472 0.615,473 23.327,474 1.06,475 6.748,476 0.307,477 3.832,478 0.174,479 0.176,481 0.381,485 1.079,486 1.422,487 0.783,488 1.066,489 1.28,490 0.892,491 1.033,492 0.935,493 0.708,494 0.795,495 0.593,496 0.724,497 1.178,498 1.129,499 0.971,500 0.963,501 0.872,502 0.931,503 0.972,504 1.265,505 1.179,506 1.288,507 0.873,508 1.275,509 0.526,510 0.882,511 1.038,512 1.11,513 0.938,514 1.154,515 0.723,516 0.951,517 0.831,518 0.943,519 0.723,520 0.906,521 1.372,522 0.847,523 1.157,524 0.872,525 1.174,526 0.963,527 1.149,528 1.219,529 1.101,530 1.175,531 1.065,532 1.134,533 5,534 0.062,535 2.889,536 1.688,537 1.48,538 0.708,539 0.526,540 0.276,541 0.135,542 0.164,543 4832,544 13998,545 2.043,546 42.1,548 12,551 4,555 1.643,556 1.886,557 3.251,558 1.914,559 1,560 1,562 1,564 61.308,565 1.613,566 3.53,567 4.274,568 4.682,569 4.682,570 4.682,571 2.732,572 3.845,573 4.429,574 3.354,575 774.765,576 7.601,577 8345.65,578 1,579 1,581 1,582 199.421,583 1.495,584 4.376,585 0.208,586 0.008,587 0.085,588 0.047,589 0.049,590 0.03,591 0.025,592 0.015,593 0.008,594 0.015,595 0.49,596 0.5,597 1,598 0.853,599 100.815,600 -0.164,601 -0.21,602 0.029,603 -0.05,604 -0.327,605 0.02,606 0.089,607 0.168,608 0.202,609 0.19,610 0.236,611 0.201,612 -0.138,613 0.011,614 -0.084,615 -0.005,616 -0.024,617 -0.032,618 -0.128,619 -0.189,620 -0.294,621 -0.291,622 -0.047,623 -0.323,624 0.164,625 0.066,626 -0.076,627 -0.108,628 -0.048,629 -0.134,630 0.03,631 -0.086,632 0.187,633 0.06,634 0.082,635 0.142,636 -0.164,637 0.134,638 -0.164,639 0.069,640 -0.131,641 -0.028,642 -0.161,643 -0.259,644 -0.125,645 -0.21,646 -0.054,647 -0.165,648 1.525,649 1.874,650 0.727,651 17.074,652 1.009,653 1.139,654 2.683,655 7.199,656 0.666,657 3.219,658 3.555,659 3.829,660 4.06,661 4.304,662 4.369,663 4.443,664 4.477,665 4.533,666 4.533,667 5.516,668 0.644,669 296.37,670 3.219,671 4.762,672 5.617,673 6.497,674 7.367,675 8.251,676 9.128,677 10.014,678 10.893,679 11.781,680 15.8,684 2,688 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,714 1,716 1,718 38,719 17,720 1,721 24,723 40,724 15,725 13,726 2,727 4,729 3,730 4,741 13,742 2,753 1,754 1,757 16,758 7,759 4,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 2,810 22,811 2,818 1,821 1,829 2.6,834 1,836 11.667,837 7.383,838 4.861,839 1.933,840 3.313,841 1.479,842 1.002,843 3.793,844 10.226,845 3.512,846 4.174,847 4.802,848 5.411,849 6.023,850 6.309,851 6.69,852 7.069,853 7.483,854 7.656,855 0.857,856 36,857 8.021,859 3.323,860 7.78,861 15.053,863 11.832,865 2.28,866 50.167,870 141.253,871 94.98,872 119.275,874 11,877 94.98,878 152.253,879 119.275,880 19.279,882 122.652,883 50.357,884 26.413,885 6.555,886 141.253,888 141.253,889 214.256,890 11,893 141.253,894 11,897 9.312,898 154.587,899 50.357,901 141.253,902 130.275,903 94.98,906 141.253,907 18.843,908 79.261,910 127.151,911 141.253,912 130.275,913 94.98,915 0.587,916 0.351,917 0.182,918 0.099,919 17,920 8,921 0.075,922 3,923 1,924 1.125,925 3.379,926 172.83,927 0.125,928 16,929 94.107,933 14.506,934 5.753,935 2.823,936 1.156,937 130.275,938 11.377,939 12.59,943 2.924,945 65.794,946 366.509,947 32.5,956 38.356,957 43.275,958 0.307,959 0.673,960 0.814,961 0.892,962 0.892,963 0.892,964 4.738,965 1,966 5.617,967 2.565,968 4.234,969 4.86,970 1.235,971 6.435,972 4.116,973 5.972,974 0.936,975 7.188,976 2.338,977 3.892,978 4.745,979 0.325,980 7.341,981 3.701,982 7.294,983 0.447,984 8.854,985 2.275,986 5.844,987 7.142,988 0.938,989 10.422,990 5.612,991 8.652,992 -0.038,993 10.574,994 0.694,995 6.275,996 7.81,997 0.268,998 12.111,999 5.966,1000 10.038,1001 -0.447,1002 12.329,1003 -0.094,1004 7.723,1005 9.703,1006 0.732,1007 14.723,1008 7.382,1009 11.443,1010 -0.572,1011 14.106,1012 -1.09,1013 8.511,1014 10.764,1015 0.188,1016 16.753,1017 8.097,1018 12.864,1019 -0.815,1020 15.901,1021 -1.162,1022 9.758,1023 12.436,1024 0.57,1025 19.19,1026 9.308,1027 3.121,1028 -0.867,1029 17.71,1030 -2.091,1031 10.719,1032 13.709,1033 0.125,1034 21.376,1035 10.201,1036 2.889,1037 10.319,1038 19.529,1039 -2.501,1040 11.884,1041 15.28,1042 0.438,1043 23.742,1044 11.325,1045 2.473,1046 9.468,1047 21.357,1048 4.496,1049 12.927,1050 16.664,1051 0.082,1052 25.997,1053 12.305,1054 2.162,1055 6.98,1056 23.192,1057 3.729,1058 14.061,1059 18.191,1060 0.334,1061 28.334,1062 13.392,1063 2.007,1064 6.185,1065 25.033,1066 3.295,1067 15.144,1068 19.633,1069 0.054,1070 30.622,1071 14.416,1072 1.863,1073 5.797,1074 26.879,1075 2.886,1076 16.267,1077 21.141,1078 0.252,1079 32.948,1080 15.49,1081 1.019,1082 5.634,1083 28.729,1084 2.811,1085 17.369,1086 22.611,1087 0.035,1088 35.252,1089 16.535,1090 4753,1091 8210,1092 15.72,1093 25.296,1094 36.016,1095 36.224,1096 37.563,1097 35.847,1098 35.836,1099 48.682,1100 3.32,1101 104.507,1102 33.682,1103 5.312,1104 5.258,1105 6.1,1106 5.14,1107 5.121,1108 7.496,1109 1.72,1110 17.216,1111 4.955,1112 11.616,1113 1.501,1114 1.509,1115 1.565,1116 1.494,1117 1.493,1118 2.028,1119 0.138,1120 4.354,1121 1.403,1122 4.06,1123 4.103,1124 4.036,1125 3.927,1126 5.324,1127 3.948,1128 3.893,1129 3.922,1130 3.841,1131 3.801,1132 4.989,1133 3.807,1134 3.506,1135 3.574,1136 3.443,1137 3.294,1138 4.884,1139 3.323,1140 3.279,1141 3.351,1142 3.144,1143 3.039,1144 4.767,1145 3.053,1146 3.153,1147 3.248,1148 3.006,1149 2.893,1150 4.404,1151 2.888,1152 3.112,1153 3.228,1154 2.921,1155 2.807,1156 4.199,1157 2.842,1158 2.854,1159 2.925,1160 2.687,1161 2.735,1162 3.919,1163 2.715,1164 2.724,1165 2.825,1166 2.545,1167 2.525,1168 3.851,1169 2.505,1170 0.19,1171 0.136,1172 0.273,1173 0.169,1174 0.13,1175 4.555,1176 0.187,1177 3.258,1178 0.036,1179 6.549,1180 0.43,1181 4.068,1182 0.123,1183 3.121,1184 4.496,1185 0.86,1186 10.319,1187 2.955,1188 1.973,1189 1.937,1190 2.037,1191 2.126,1192 1.121,1193 2.099,1194 1.864,1195 1.838,1196 1.955,1197 1.981,1198 1.02,1199 1.976,1200 1.422,1201 1.358,1202 1.637,1203 1.677,1204 0.682,1205 1.663,1206 1.225,1207 1.152,1208 1.553,1209 1.51,1210 0.566,1211 1.521,1212 1.142,1213 1.045,1214 1.467,1215 1.429,1216 0.391,1217 1.462,1218 1,1219 0.898,1220 1.273,1221 1.383,1222 0.218,1223 1.364,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1228 0.073,1229 1.107,1230 0.711,1231 0.633,1232 0.972,1233 0.977,1235 0.985,1236 3.892,1238 5.22,1240 6.756,1242 8.382,1244 10.055,1246 3.558,1250 11.463,1254 5.16,1257 1.939,1262 24.477,1263 61.308,1264 134.137,1265 162.402,1266 177.911,1267 177.911,1268 177.911,1269 26.481,1270 6.913,1271 103.18,1272 103.18,1273 18,1274 12.313,1275 4.17,1276 3.248,1277 34.56,1278 72,1279 82,1280 0.24,1281 153.818,1282 251.95,1283 367.076,1284 8304,1286 15.69,1287 0.713,1288 0.56,1289 15.69,1290 12.316,1291 10.58,1292 0.441,1293 0.277,1294 6.522,1295 10.061,1296 6.318,1297 5.3,1298 10.58,1299 6.658,1300 9.599,1301 0.282,1302 0.14,1303 9.599,1304 4.761,1305 8.255,1306 0.183,1307 0.075,1308 8.255,1309 3.375,1310 6.699,1311 0.118,1312 0.038,1313 6.699,1314 2.17,1315 5.275,1316 0.072,1317 0.019,1318 5.275,1319 1.385,1320 0.371,1321 67.018,1322 0.252,1323 21.597,1324 0.669,1325 116,1326 350.94,1327 129.786,1328 343.477,1329 479.45,1330 322,1331 137,1332 367.855,1333 150.732,1334 374.348,1335 544.65,1336 350,1337 8.167}
{0 CHEMBL141218,1 1.64,2 9.905,3 2.306,4 5.317,5 81.195,6 8.067,7 0.739,8 3.694,9 3.828,10 3.317,11 3.169,12 4.938,13 3.194,14 4.129,15 4.291,16 3.664,17 3.503,18 5.381,19 3.513,20 4.29,21 4.479,22 3.687,23 3.586,24 5.495,25 3.583,26 4.29,27 4.496,28 3.517,29 3.541,30 5.445,31 3.489,32 4.289,33 4.54,34 3.344,35 3.461,36 5.393,37 3.366,38 4.159,39 4.434,40 3.106,41 3.283,42 5.109,43 3.186,44 3.878,45 4.11,46 3.093,47 3.114,48 4.953,49 3.052,50 3.801,51 4.026,52 2.998,53 2.971,54 4.953,55 2.944,56 0.091,57 0.581,58 6.434,59 2.408,60 11.546,61 3.113,62 0.249,63 0.845,64 11.263,65 4.255,66 22.598,67 5.493,68 0.306,69 0.963,70 13.756,71 4.218,72 26.489,73 5.745,74 0.248,75 0.916,76 14.222,77 4.867,78 26.318,79 6.833,80 0.343,81 0.855,82 15.702,83 5.041,84 35.128,85 7.444,86 0.267,87 0.699,88 15.005,89 4.362,90 28.594,91 6.597,92 0.184,93 0.565,94 10.23,95 3.553,96 16.053,97 5.152,98 0.18,99 0.522,100 9.318,101 2.564,102 19.269,103 3.69,104 11,105 32,106 0.298,107 0.63,108 0.764,109 0.844,110 0.844,111 0.844,112 3.103,113 0.817,114 -3.66,115 -3.63,116 -3.45,119 40,124 1,139 6,141 2,143 2,144 2,147 1,157 2,158 2,159 2,166 3,169 1,170 4,172 3,173 4,175 3,178 2,181 2,182 4,184 1,185 1,187 3,189 2,193 3,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,207 3,209 1,210 4,211 1,212 2,214 1,215 4,218 2,229 2,233 1,234 5,238 1,239 2,240 1,243 2,246 5,251 2,256 2,265 2,270 2,273 538,274 14.196,275 14.196,276 14.196,277 14.196,278 14.196,279 12.136,280 20.125,281 8.292,282 14.667,283 11.299,284 11.299,285 11.299,286 11.299,287 11.299,288 8.187,289 29.651,290 3.898,291 12.001,292 3.489,293 1.661,294 0.922,295 0.479,296 0.479,297 0.479,298 3.785,300 1,301 1,302 1,303 446,304 2.345,307 168.91,311 88.91,314 1.442,315 18.149,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 46,327 208,328 4.542,329 3.127,330 6.503,331 4.032,332 3.081,333 4.492,334 0.86,335 10.179,336 2.93,337 4.06,338 2.897,339 5.598,340 3.647,341 2.689,342 3.653,343 0.4,344 7.723,345 2.577,346 3.765,347 2.669,348 5.302,349 3.334,350 2.404,351 3.229,353 6.825,354 2.234,355 3.483,356 2.278,357 5.066,358 3.053,359 2.128,360 2.811,362 6.043,363 1.966,364 3.423,365 2.11,366 5.033,367 2.947,368 2.006,369 2.808,371 5.796,372 1.88,373 3.264,374 1.956,375 4.865,376 2.805,377 1.859,378 2.557,380 5.487,381 1.752,382 2.5,383 1.13,384 3.709,385 2,386 1.007,387 1.5,389 2.565,390 1,391 2.452,392 1.057,393 3.414,394 1.955,395 1,396 1.432,398 2.275,399 0.952,400 1.778,401 1,402 3.089,403 1.484,404 0.608,405 0.684,407 1.12,408 0.527,409 1.516,410 0.434,411 2.736,412 1.135,413 0.222,414 0.276,415 0.475,416 0.202,417 1.082,418 0.009,419 2.616,420 0.71,421 -0.21,422 -0.262,423 -0.463,424 -0.192,425 0.956,426 -0.295,427 2.496,428 0.472,429 -0.448,430 -0.577,431 -1.147,432 -0.41,433 0.64,434 -0.439,435 2.226,436 0.219,437 -0.71,438 -0.877,439 -1.689,440 -0.653,441 0.5,442 -0.725,443 2,444 0.132,445 -0.815,446 -1.104,448 -2.276,449 -0.771,450 0.493,451 -0.882,452 1.728,454 -1,455 -1.405,457 -2.885,458 -1,459 9.733,460 0.463,461 0.52,462 0.025,463 32.5,464 1.548,465 18,466 0.857,467 14.5,468 0.69,469 11.525,470 0.549,471 22.067,472 0.63,473 21.736,474 1.035,475 6.584,476 0.314,477 3.568,478 0.17,479 0.134,481 0.36,485 1.125,486 1.299,487 0.775,488 0.959,489 1.314,490 0.812,491 0.949,492 1.045,493 0.72,494 0.949,495 0.592,496 0.84,497 1.226,498 1.089,499 1.021,500 0.947,501 0.975,502 0.939,503 0.943,504 1.258,505 1.088,506 1.24,507 0.828,508 1.204,509 0.615,510 0.855,511 1.061,512 1.054,513 0.998,514 1.122,515 0.951,516 0.817,517 0.987,518 0.835,519 1.022,520 0.894,521 0.586,522 0.989,523 0.793,524 1.033,525 0.467,526 0.969,527 1.391,528 1.134,529 1.11,530 1.009,531 1.295,532 0.996,533 5,534 0.062,535 2,536 1.313,537 1.4,538 0.361,539 0.464,540 0.217,541 0.135,542 0.164,543 4483,544 13381,545 2.074,546 40,548 9,551 5,555 1.627,556 1.938,557 3.261,558 2.845,560 1,562 1,564 57.409,565 1.64,566 3.468,567 4.207,568 4.651,569 4.651,570 4.651,571 2.737,572 3.88,573 4.362,574 3.373,575 708.259,576 7.452,577 7481.74,578 1,579 1,581 1,582 179.525,583 1.418,584 4.322,585 0.217,586 0.008,587 0.063,588 0.041,589 0.054,590 0.017,591 0.027,592 0.013,593 0.009,594 0.015,595 0.464,596 0.5,597 1,598 0.819,599 95.338,600 -0.22,601 -0.103,602 0.006,603 0.031,604 -0.372,605 0.068,606 0.115,607 0.051,608 0.146,609 0.048,610 0.233,611 0.076,612 -0.178,613 0.014,614 -0.131,615 -0.019,616 -0.104,617 -0.059,618 -0.081,619 -0.235,620 -0.18,621 -0.256,622 0.032,623 -0.248,624 0.15,625 0.112,626 -0.09,627 -0.083,628 -0.016,629 -0.127,630 -0.122,631 0.069,632 0.047,633 0.152,634 -0.148,635 0.143,636 0.22,637 -0.05,638 0.174,639 -0.007,640 0.299,641 0.061,642 -0.285,643 -0.146,644 -0.133,645 -0.08,646 -0.193,647 -0.069,648 1.53,649 1.819,650 0.762,651 16.268,652 1.014,653 1.139,654 2.427,655 5.89,656 0.672,657 3.178,658 3.497,659 3.738,660 3.989,661 4.234,662 4.234,663 4.317,664 4.382,665 4.489,666 4.466,667 5.58,668 0.656,669 282.34,670 3.178,671 4.71,672 5.549,673 6.422,674 7.277,675 8.153,676 9.015,677 9.892,678 10.759,679 11.636,680 17.1,684 2,688 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,712 1,716 1,718 35,719 17,720 1,721 23,723 37,724 14,725 13,726 2,727 4,729 3,730 4,741 13,742 1,753 1,754 1,757 14,758 7,759 5,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 1,810 21,811 2,817 1,818 1,829 2.9,834 1,836 10.833,837 6.433,838 4.639,839 1.758,840 3.353,841 1.489,842 1.018,843 3.56,844 10.207,845 3.481,846 4.143,847 4.751,848 5.369,849 5.981,850 6.222,851 6.602,852 7.003,853 7.443,854 7.593,855 0.857,856 32,857 7.646,859 3.183,860 7.817,861 14.271,863 11.216,865 2.317,866 48.667,870 105.94,871 86.584,872 134.162,874 11,877 86.584,878 116.94,879 134.162,880 10.883,882 122.652,883 50.357,884 41.299,885 6.555,886 105.94,888 105.94,889 220.746,890 11,893 105.94,894 11,897 24.198,898 146.191,899 50.357,901 105.94,902 145.162,903 86.584,906 105.94,907 18.843,908 67.741,909 18.011,910 127.151,911 105.94,912 145.162,913 86.584,915 0.581,916 0.337,917 0.18,918 0.101,919 16,920 7,921 0.081,922 3,923 1,924 1.125,925 3.369,926 158.964,927 0.125,928 16,929 88.239,933 13.55,934 5.518,935 2.864,936 1.128,937 145.162,938 11.116,939 12.403,943 2.721,945 83.805,946 337.685,947 31.5,956 35.473,957 39.86,958 0.32,959 0.676,960 0.82,961 0.907,962 0.907,963 0.907,964 4.694,965 1,966 5.533,967 2.565,968 4.174,969 4.828,970 1.029,971 6.315,972 4.061,973 5.923,974 0.608,975 7.074,976 2.275,977 3.761,978 4.691,980 7.125,981 3.586,982 7.238,983 0.222,984 8.706,985 1.12,986 5.746,987 7.11,988 0.763,989 10.189,990 5.529,991 8.587,992 -0.21,993 10.39,994 0.475,995 6.089,996 7.754,998 11.792,999 5.807,1000 9.963,1001 -0.448,1002 12.108,1003 -0.463,1004 7.566,1005 9.664,1006 0.597,1007 14.389,1008 7.252,1009 11.359,1010 -0.71,1011 13.849,1012 -1.147,1013 8.281,1014 10.711,1016 16.371,1017 7.906,1018 12.771,1019 -0.815,1020 15.61,1021 -1.689,1022 9.541,1023 12.395,1024 0.47,1025 18.795,1026 9.133,1027 3.081,1028 -1,1029 17.386,1030 -2.276,1031 10.452,1032 13.662,1034 20.961,1035 9.985,1036 2.689,1037 10.179,1038 19.176,1039 -2.885,1040 11.618,1041 15.24,1042 0.367,1043 23.319,1044 11.115,1045 2.404,1046 7.723,1047 20.977,1048 4.492,1049 12.629,1050 16.623,1052 25.569,1053 12.07,1054 2.128,1055 6.825,1056 22.789,1057 3.653,1058 13.758,1059 18.154,1060 0.283,1061 27.903,1062 13.158,1063 2.006,1064 6.043,1065 24.61,1066 3.229,1067 14.82,1068 19.596,1070 30.191,1071 14.166,1072 1.859,1073 5.796,1074 26.439,1075 2.811,1076 15.936,1077 21.107,1078 0.217,1079 32.515,1080 15.237,1081 1.007,1082 5.487,1083 28.274,1084 2.808,1085 17.024,1086 22.579,1088 34.82,1089 16.273,1090 4379,1091 7682,1092 15.315,1093 23.534,1094 34.178,1095 34.432,1096 35.073,1097 34.002,1098 34.009,1099 46.879,1100 2.52,1101 96.972,1102 32.039,1103 5.3,1104 5.127,1105 6.055,1106 5.105,1107 5.081,1108 7.492,1109 1.72,1110 17.073,1111 4.93,1112 9.991,1113 1.486,1114 1.497,1115 1.525,1116 1.478,1117 1.479,1118 2.038,1119 0.11,1120 4.216,1121 1.393,1122 4.054,1123 4.098,1124 4.03,1125 3.921,1126 5.325,1127 3.942,1128 3.887,1129 3.916,1130 3.834,1131 3.798,1132 4.99,1133 3.803,1134 3.473,1135 3.542,1136 3.415,1137 3.263,1138 4.895,1139 3.293,1140 3.252,1141 3.318,1142 3.1,1143 2.982,1144 4.772,1145 2.999,1146 3.115,1147 3.229,1148 3.006,1149 2.822,1150 4.412,1151 2.858,1152 2.954,1153 3.05,1154 2.798,1155 2.735,1156 4.198,1157 2.725,1158 2.854,1159 2.925,1160 2.687,1161 2.718,1162 3.909,1163 2.715,1164 2.644,1165 2.751,1166 2.494,1167 2.466,1168 3.674,1169 2.467,1170 0.197,1171 0.136,1172 0.283,1173 0.175,1174 0.134,1175 4.542,1176 0.195,1177 3.127,1178 0.037,1179 6.503,1180 0.443,1181 4.032,1182 0.127,1183 3.081,1184 4.492,1185 0.86,1186 10.179,1187 2.93,1188 1.968,1189 1.932,1190 2.029,1191 2.122,1192 1.093,1193 2.095,1194 1.86,1195 1.835,1196 1.954,1197 1.975,1198 1.02,1199 1.972,1200 1.381,1201 1.32,1202 1.575,1203 1.636,1204 0.576,1205 1.612,1206 1.195,1207 1.123,1208 1.507,1209 1.502,1210 0.435,1211 1.519,1212 1.007,1213 0.91,1214 1.273,1215 1.383,1216 0.218,1217 1.364,1218 0.901,1219 0.821,1220 1.181,1221 1.182,1222 0.164,1223 1.179,1224 0.886,1225 0.815,1226 1.132,1227 1.062,1229 1.107,1230 0.611,1231 0.541,1232 0.921,1233 0.922,1235 0.934,1236 3.85,1238 5.165,1240 6.681,1242 8.29,1244 9.947,1246 1.627,1250 11.375,1253 3.18,1254 5.116,1262 22.95,1263 57.409,1264 121.386,1265 147.26,1266 162.77,1267 162.77,1268 162.77,1269 24.083,1270 6.854,1271 111.97,1272 111.97,1273 18,1274 12.176,1275 4.17,1276 3.248,1277 32.368,1278 70,1279 77,1280 0.231,1281 144.226,1282 234.65,1283 343.671,1284 7934,1286 14.82,1287 0.706,1288 0.541,1289 14.82,1290 11.369,1291 10.152,1292 0.441,1293 0.272,1294 6.141,1295 9.67,1296 5.999,1297 5.016,1298 10.152,1299 6.263,1300 9.188,1301 0.287,1302 0.137,1303 9.188,1304 4.385,1305 7.577,1306 0.185,1307 0.072,1308 7.577,1309 2.949,1310 6.332,1311 0.119,1312 0.037,1313 6.332,1314 1.947,1315 5.148,1316 0.076,1317 0.019,1318 5.148,1319 1.269,1320 0.361,1321 64.239,1322 0.256,1323 20.909,1324 0.63,1325 110,1326 339.628,1327 123.425,1328 333.177,1329 463.37,1330 312,1331 128,1332 353.94,1333 140.733,1334 359.593,1335 521.71,1336 337,1337 5.42}
{0 CHEMBL141260,1 1.693,2 9.348,3 2.289,4 5.241,5 87.658,6 8.009,7 0.68,8 3.801,9 3.928,10 3.415,11 3.237,12 5.045,13 3.271,14 4.253,15 4.417,16 3.758,17 3.564,18 5.484,19 3.589,20 4.374,21 4.541,22 3.834,23 3.675,24 5.602,25 3.693,26 4.438,27 4.619,28 3.728,29 3.69,30 5.614,31 3.659,32 4.516,33 4.751,34 3.607,35 3.661,36 5.631,37 3.586,38 4.444,39 4.706,40 3.462,41 3.526,42 5.436,43 3.457,44 4.245,45 4.45,46 3.398,47 3.405,48 5.312,49 3.37,50 4.165,51 4.373,52 3.322,53 3.335,54 5.316,55 3.279,56 0.119,57 0.621,58 7.362,59 2.763,60 12.42,61 3.577,62 0.361,63 0.893,64 13.724,65 4.742,66 28.703,67 6.058,68 0.391,69 1.029,70 14.834,71 4.63,72 28.314,73 6.216,74 0.362,75 1.039,76 16.269,77 5.62,78 29.552,79 7.708,80 0.54,81 1.028,82 19.798,83 6.129,84 43.658,85 8.967,86 0.422,87 0.875,88 20.033,89 5.715,90 37.107,91 8.612,92 0.383,93 0.741,94 15.407,95 4.893,96 28.694,97 6.467,98 0.347,99 0.719,100 13.247,101 4.175,102 28.002,103 6.018,104 21,105 35,106 0.301,107 0.633,108 0.752,109 0.832,110 0.85,111 0.877,112 3.189,113 0.815,114 -3.16,115 -3.16,116 -3.03,119 38.5,124 2,139 5,141 3,143 2,144 2,147 1,157 2,158 2,159 2,166 2,169 1,170 5,172 3,173 4,175 2,178 1,181 2,182 5,184 1,185 2,187 2,189 1,193 2,195 1,196 2,197 1,198 3,200 2,201 1,204 2,205 1,206 2,207 3,209 1,210 3,211 1,212 2,214 1,215 2,218 2,220 1,221 3,229 2,234 3,238 1,239 1,240 1,241 1,243 1,245 2,246 2,248 1,249 1,251 1,256 1,259 2,260 2,262 1,263 1,265 2,270 2,273 677,274 15.566,275 15.566,276 15.566,277 15.566,278 15.566,279 13.505,280 22.669,281 9.008,282 16.206,283 12.214,284 12.214,285 12.214,286 12.214,287 12.214,288 9.004,289 33.42,290 4.128,291 13.089,292 3.593,293 1.72,294 1.054,295 0.603,296 0.5,297 0.346,298 3.869,300 1,301 1,302 1,303 455,304 2.646,307 184.997,311 95.627,314 1.376,315 22.225,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51,327 215,328 4.544,329 3.192,330 6.504,331 4.037,332 3.086,333 4.492,334 0.86,335 10.184,336 2.934,337 4.277,338 3.091,339 6.195,340 3.866,341 2.913,342 3.92,343 0.86,344 9.271,345 2.773,346 3.757,347 2.693,348 5.311,349 3.317,350 2.387,351 3.224,352 0.4,353 6.877,354 2.218,355 3.537,356 2.513,357 5.211,358 3.135,359 2.217,360 2.857,362 6.446,363 2.028,364 3.427,365 2.18,366 5.062,367 2.962,368 2.035,369 2.811,371 5.803,372 1.883,373 3.357,374 2.048,375 4.973,376 2.894,377 1.955,378 2.673,380 5.756,381 1.828,382 2.851,383 1.716,384 4.311,385 2.423,386 1.467,387 1.985,389 3.994,390 1.399,391 2.452,392 1.232,393 3.709,394 1.953,395 1.006,396 1.431,398 2.565,399 0.951,400 1.95,401 1.058,402 3.135,403 1.651,404 0.776,405 0.881,407 1.392,408 0.671,409 1.581,410 0.915,411 2.942,412 1.248,413 0.371,414 0.421,415 0.682,416 0.322,417 1.447,418 0.426,419 2.705,420 1.119,421 0.218,422 0.266,423 0.395,424 0.197,425 1.084,426 0.065,427 2.593,428 0.71,429 -0.209,430 -0.26,431 -0.46,432 -0.191,433 0.956,434 -0.235,435 2.497,436 0.473,437 -0.447,438 -0.575,439 -1.127,440 -0.409,441 0.681,442 -0.306,443 2.27,444 0.298,445 -0.614,446 -0.738,448 -1.332,449 -0.552,450 0.596,451 -0.66,452 2.168,453 0.133,454 -0.814,455 -1.061,457 -2.136,458 -0.766,459 10.567,460 0.459,461 0.571,462 0.025,463 34.5,464 1.5,465 18.5,466 0.804,467 16,468 0.696,469 14.066,470 0.612,471 24.833,472 0.637,473 24.829,474 1.08,475 7.084,476 0.308,477 4.017,478 0.175,479 0.17,481 0.379,485 1.085,486 1.381,487 0.772,488 1.072,489 1.26,490 0.872,491 1.162,492 0.974,493 0.724,494 0.834,495 0.727,496 0.734,497 1.159,498 1.126,499 0.965,500 0.964,501 0.961,502 0.921,503 0.988,504 1.329,505 1.086,506 1.29,507 0.865,508 1.232,509 0.698,510 0.911,511 1.068,512 1.078,513 0.935,514 1.133,515 0.911,516 0.831,517 0.898,518 0.877,519 0.841,520 0.871,521 1.442,522 0.93,523 1.049,524 0.948,525 1.027,526 0.949,527 0.868,528 1.143,529 1.13,530 1.234,531 0.996,532 1.236,533 5.5,534 0.091,535 2.444,536 1.625,537 1.711,538 0.59,539 0.485,540 0.314,541 0.271,542 0.169,543 5325,544 16363,545 2.041,546 41,548 11,551 5,555 1.659,556 1.89,557 3.199,558 2.761,559 1,560 1,562 1,564 66.018,565 1.693,566 3.565,567 4.231,568 4.683,569 4.785,570 4.939,571 2.653,572 4.089,573 4.497,574 3.328,575 841.895,576 7.749,577 9484.76,578 1,579 1,581 1,582 206.131,583 1.478,584 4.443,585 0.22,586 0.01,587 0.07,588 0.044,589 0.053,590 0.022,591 0.02,592 0.014,593 0.014,594 0.011,595 0.477,596 0.17,597 1,598 0.942,599 106.934,600 -0.192,601 -0.159,602 0.018,603 -0.039,604 -0.33,605 0.037,606 -0.02,607 0.108,608 0.181,609 0.177,610 0.162,611 0.196,612 -0.124,613 0.027,614 -0.094,615 -0.007,616 -0.083,617 -0.038,618 -0.069,619 -0.256,620 -0.201,621 -0.283,622 -0.011,623 -0.283,624 0.15,625 0.082,626 -0.109,627 -0.108,628 0.002,629 -0.154,630 -0.019,631 0.063,632 0.127,633 0.102,634 0.02,635 0.153,636 -0.226,637 -0.01,638 -0.056,639 0.071,640 -0.112,641 0.039,642 0.077,643 -0.131,644 -0.193,645 -0.252,646 -0.048,647 -0.275,648 1.549,649 1.855,650 0.696,651 17.285,652 1.018,653 1.141,654 1.935,655 3.743,656 0.66,657 3.258,658 3.584,659 3.85,660 4.111,661 4.357,662 4.394,663 4.443,664 4.511,665 4.673,666 4.644,667 5.545,668 0.646,669 312.37,670 3.258,671 4.796,672 5.645,673 6.526,674 7.393,675 8.278,676 9.15,677 10.035,678 10.91,679 11.795,680 15.4,684 2,688 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,716 2,718 39,719 17,720 1,721 25,723 41,724 15,725 13,726 3,727 3,729 3,730 4,741 13,742 2,753 1,754 1,757 16,758 8,759 5,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 2,810 23,811 2,817 1,818 2,829 5.1,834 2,836 12.167,837 7.517,838 5.167,839 1.918,840 3.442,841 1.489,842 0.995,843 4.252,844 10.485,845 3.541,846 4.205,847 4.826,848 5.443,849 6.048,850 6.318,851 6.67,852 7.069,853 7.537,854 7.697,855 1,856 37,857 8.38,859 3.466,860 7.841,861 15.58,863 12.108,865 2.341,866 53.833,870 129.482,871 93.234,872 134.162,874 22,877 93.234,878 151.482,879 134.162,880 21.766,882 113.176,883 50.357,884 57.542,885 6.555,886 129.482,888 129.482,889 227.396,890 22,893 129.482,894 22,897 24.198,898 152.841,899 50.357,901 129.482,902 156.161,903 93.234,906 129.482,907 24.087,908 69.147,909 18.011,910 138.151,911 129.482,912 156.161,913 93.234,915 0.579,916 0.347,917 0.19,918 0.106,919 17,920 8,921 0.098,922 4,923 1,924 1.125,925 3.453,926 183.419,927 0.125,928 16,929 104.042,933 15.429,934 6.339,935 3.168,936 1.059,937 156.161,938 8.971,939 12.447,943 2.998,945 83.805,946 378.878,947 33.5,956 39.683,957 44.485,958 0.32,959 0.675,960 0.801,961 0.886,962 0.905,963 0.934,964 4.764,965 1.006,966 5.638,967 3.994,968 4.263,969 4.89,970 1.454,971 6.447,972 4.136,973 5.997,974 0.776,975 7.198,976 2.565,977 3.892,978 4.808,980 7.322,981 3.711,982 7.322,983 0.371,984 8.851,985 1.392,986 5.861,987 7.185,988 1.175,989 10.395,990 5.626,991 8.682,992 0.218,993 10.556,994 0.682,995 6.256,996 7.878,998 12.048,999 5.964,1000 10.068,1001 -0.209,1002 12.294,1003 0.395,1004 7.716,1005 9.756,1006 0.966,1007 14.648,1008 7.384,1009 11.474,1010 -0.447,1011 14.056,1012 -0.46,1013 8.477,1014 10.835,1016 16.653,1017 8.089,1018 12.896,1019 -0.614,1020 15.834,1021 -1.127,1022 9.728,1023 12.497,1024 0.788,1025 19.074,1026 9.303,1027 3.086,1028 -0.814,1029 17.627,1030 -1.332,1031 10.671,1032 13.779,1034 21.242,1035 10.191,1036 2.913,1037 10.184,1038 19.43,1039 -2.136,1040 11.834,1041 15.343,1042 0.634,1043 23.591,1044 11.315,1045 2.387,1046 9.271,1047 21.243,1048 4.492,1049 12.864,1050 16.729,1052 25.833,1053 12.293,1054 2.217,1055 6.877,1056 23.064,1057 3.92,1058 13.993,1059 18.25,1060 0.504,1061 28.154,1062 13.379,1063 2.035,1064 6.446,1065 24.891,1066 3.224,1067 15.065,1068 19.689,1070 30.429,1071 14.399,1072 1.955,1073 5.803,1074 26.724,1075 2.857,1076 16.181,1077 21.191,1078 0.395,1079 32.739,1080 15.469,1081 1.467,1082 5.756,1083 28.561,1084 2.811,1085 17.273,1086 22.658,1088 35.031,1089 16.511,1090 5258,1091 9341,1092 16.414,1093 25.75,1094 36.878,1095 37.693,1096 38.705,1097 36.794,1098 36.865,1099 49.92,1100 4.24,1101 106.731,1102 34.404,1103 5.32,1104 5.192,1105 6.072,1106 5.11,1107 5.086,1108 7.492,1109 1.72,1110 17.078,1111 4.934,1112 12.149,1113 1.475,1114 1.508,1115 1.548,1116 1.472,1117 1.475,1118 1.997,1119 0.17,1120 4.269,1121 1.376,1122 4.056,1123 4.099,1124 4.033,1125 3.922,1126 5.325,1127 3.944,1128 3.9,1129 3.921,1130 3.858,1131 3.799,1132 4.991,1133 3.81,1134 3.47,1135 3.54,1136 3.412,1137 3.262,1138 4.937,1139 3.291,1140 3.32,1141 3.368,1142 3.176,1143 3.026,1144 4.774,1145 3.051,1146 3.154,1147 3.243,1148 3.012,1149 2.875,1150 4.602,1151 2.883,1152 3.116,1153 3.229,1154 2.932,1155 2.843,1156 4.28,1157 2.852,1158 3.006,1159 3.093,1160 2.858,1161 2.784,1162 4.124,1163 2.803,1164 2.735,1165 2.814,1166 2.583,1167 2.575,1168 3.913,1169 2.565,1170 0.182,1171 0.128,1172 0.26,1173 0.161,1174 0.123,1175 4.544,1176 0.18,1177 3.192,1178 0.034,1179 6.504,1180 0.407,1181 4.037,1182 0.117,1183 3.086,1184 4.492,1185 0.86,1186 10.184,1187 2.934,1188 1.967,1189 1.932,1190 2.021,1191 2.122,1192 1.094,1193 2.094,1194 1.856,1195 1.837,1196 1.94,1197 1.981,1198 1.02,1199 1.969,1200 1.38,1201 1.319,1202 1.593,1203 1.632,1204 0.587,1205 1.608,1206 1.237,1207 1.177,1208 1.545,1209 1.565,1210 0.559,1211 1.569,1212 1.133,1213 1.04,1214 1.509,1215 1.44,1216 0.44,1217 1.474,1218 1.012,1219 0.925,1220 1.274,1221 1.383,1222 0.224,1223 1.364,1224 0.956,1225 0.87,1226 1.198,1227 1.217,1228 0.059,1229 1.218,1230 0.737,1231 0.666,1232 1.003,1233 0.955,1235 0.981,1236 3.932,1238 5.252,1240 6.779,1242 8.402,1244 10.074,1246 3.192,1250 11.435,1253 3.174,1254 10.557,1262 25.192,1263 66.018,1264 139.037,1265 165.011,1266 182.621,1267 186.621,1268 192.621,1269 29.719,1270 7.043,1271 121.2,1272 121.2,1273 18,1274 12.329,1275 4.17,1276 3.248,1277 36.798,1278 77,1279 70,1280 0.239,1281 157.814,1282 260.74,1283 376.827,1284 9982,1286 16.397,1287 0.713,1288 0.552,1289 16.397,1290 12.7,1291 11.101,1292 0.444,1293 0.272,1294 6.628,1295 10.468,1296 6.443,1297 5.401,1298 11.101,1299 6.792,1300 9.908,1301 0.283,1302 0.135,1303 9.908,1304 4.722,1305 8.353,1306 0.182,1307 0.071,1308 8.353,1309 3.256,1310 7.034,1311 0.117,1312 0.036,1313 7.034,1314 2.175,1315 5.668,1316 0.074,1317 0.018,1318 5.668,1319 1.404,1320 0.37,1321 71.046,1322 0.247,1323 22.347,1324 0.672,1325 120,1326 395.364,1327 136.303,1328 379.414,1329 524.34,1330 356,1331 141,1332 395.485,1333 156.945,1334 401.125,1335 582.89,1336 374,1337 5.444}
{0 CHEMBL141417,1 1.74,2 11.821,3 3.284,4 10.783,5 112.216,6 8.078,7 0.567,8 4.025,9 4.144,10 3.643,11 3.485,12 5.212,13 3.494,14 4.52,15 4.688,16 3.998,17 3.843,18 5.654,19 3.836,20 4.66,21 4.814,22 4.204,23 4.02,24 5.82,25 3.999,26 4.796,27 4.961,28 4.237,29 4.077,30 5.985,31 4.021,32 4.922,33 5.129,34 3.918,35 4.037,36 5.949,37 3.934,38 4.826,39 5.063,40 3.695,41 3.923,42 5.762,43 3.774,44 4.759,45 5.053,46 3.593,47 3.809,48 5.586,49 3.64,50 4.566,51 4.848,52 3.592,53 3.653,54 5.468,55 3.544,56 0.126,57 0.729,58 9.672,59 4.098,60 13.547,61 5.205,62 0.462,63 1.063,64 19.791,65 7.008,66 35.22,67 8.786,68 0.532,69 1.247,70 22.37,71 7.72,72 30.356,73 10.176,74 0.537,75 1.322,76 28.936,77 9.63,78 47.696,79 12.719,80 0.86,81 1.342,82 37.123,83 10.521,84 67.382,85 13.493,86 0.719,87 1.214,88 32.4,89 9.897,90 57.306,91 13.679,92 0.571,93 1.09,94 33.236,95 9.803,96 51.547,97 14.355,98 0.465,99 0.928,100 27.295,101 7.246,102 41.474,103 10.63,104 46,105 42,106 0.294,107 0.636,108 0.744,109 0.787,110 0.796,111 0.824,112 3.374,113 0.89,114 -3.42,115 -3.4,116 -3.25,119 38,121 1,124 3,125 1,139 4,140 2,141 5,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 5,172 3,173 3,175 3,178 5,180 1,181 2,182 5,187 4,189 2,192 1,193 8,195 1,196 1,197 1,198 6,200 2,201 2,204 4,205 1,207 2,210 2,211 1,212 2,214 1,215 4,218 2,224 2,226 1,229 5,231 1,234 2,237 1,238 1,239 1,240 1,241 6,243 1,246 4,251 1,256 1,260 11,265 3,270 3,273 1122,274 18.903,275 18.903,276 18.903,277 18.903,278 18.903,279 16.769,280 26.122,281 10.88,282 19.74,283 14.576,284 14.576,285 14.576,286 14.576,287 14.576,288 11.15,289 33.533,290 4.837,291 15.704,292 3.904,293 1.88,294 1.241,295 0.986,296 0.931,297 0.765,298 4.053,299 1,301 1,302 1,303 695,304 3.317,307 254.89,311 134.592,314 1.633,315 29.095,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 61.833,327 331,328 4.654,329 3.411,330 6.835,331 4.161,332 3.212,333 4.616,334 0.86,335 11.23,336 3.037,337 4.419,338 3.377,339 6.523,340 4.008,341 3.061,342 4.104,343 0.86,344 10.257,345 2.897,346 3.907,347 2.759,348 5.8,349 3.471,350 2.548,351 3.41,352 0.86,353 7.855,354 2.346,355 3.57,356 2.588,357 5.293,358 3.25,359 2.277,360 2.881,361 0.4,362 6.751,363 2.204,364 3.454,365 2.555,366 5.19,367 2.987,368 2.061,369 2.861,371 6.118,372 1.909,373 3.386,374 2.204,375 5.097,376 2.972,377 2.052,378 2.709,380 5.914,381 1.867,382 3.355,383 2.063,384 5.009,385 2.922,386 1.981,387 2.604,389 5.794,390 1.855,391 2.713,392 1.975,393 4.256,394 2.291,395 1.41,396 1.783,398 3.596,399 1.195,400 2.369,401 1.888,402 3.827,403 2.141,404 1.222,405 1.358,407 2.766,408 1.112,409 2.148,410 1.275,411 3.456,412 1.923,413 1.056,414 1.129,415 2.191,416 0.904,417 1.589,418 1.011,419 2.972,420 1.278,421 0.396,422 0.452,423 0.798,424 0.342,425 1.576,426 0.916,427 2.859,428 1.27,429 0.387,430 0.434,431 0.603,432 0.331,433 1.4,434 0.632,435 2.822,436 1.13,437 0.262,438 0.296,439 0.381,440 0.222,441 1.2,442 0.308,443 2.66,444 0.784,445 -0.105,446 -0.131,448 -0.273,449 -0.082,450 1.062,451 0.134,452 2.494,453 0.661,454 -0.219,455 -0.262,457 -0.474,458 -0.188,459 13.214,460 0.472,461 0.695,462 0.025,463 37.75,464 1.348,465 19,466 0.679,467 18.75,468 0.67,469 22.711,470 0.811,471 31.186,472 0.624,473 29.221,474 1.044,475 7.763,476 0.277,477 5.714,478 0.204,479 0.228,481 0.378,485 0.981,486 1.357,487 0.673,488 1.053,489 1.082,490 0.916,491 1.205,492 0.843,493 0.682,494 0.697,495 0.796,496 0.684,497 0.883,498 1.195,499 0.816,500 0.963,501 0.837,502 0.91,503 0.809,504 1.371,505 1.071,506 1.389,507 0.702,508 1.247,509 1.527,510 0.948,511 1.435,512 1.121,513 1.416,514 1.21,515 1.02,516 1.016,517 1.132,518 1.134,519 1.006,520 1.237,521 0.616,522 0.778,523 0.832,524 0.847,525 0.664,526 0.875,527 0.859,528 0.694,529 0.888,530 0.704,531 0.878,532 0.715,533 6,534 0.244,535 3.333,536 2.875,537 2.253,538 0.938,539 0.384,540 0.255,541 0.349,542 0.224,543 9638,544 30520,545 1.993,546 44,548 15,551 5,553 2,555 1.707,556 1.826,557 3.486,558 2.538,559 1,560 1,564 87.01,565 1.74,566 3.764,567 4.403,568 4.658,569 4.713,570 4.879,571 2.883,572 4.209,573 4.784,574 3.66,575 1383.48,576 8.297,577 18710.7,579 1,581 1,582 282.193,583 1.531,584 4.714,585 0.2,586 0.009,587 0.079,588 0.06,589 0.05,590 0.028,591 0.015,592 0.011,593 0.014,594 0.008,595 0.475,596 0.17,597 1,598 0.993,599 141.846,600 -0.133,601 -0.101,602 0.012,603 -0.039,604 -0.209,605 0.023,606 -0.097,607 0.243,608 0.132,609 0.29,610 0.077,611 0.263,612 0.077,613 -0.047,614 0.078,615 0.049,616 0.015,617 0.041,618 0.134,619 -0.304,620 -0.018,621 -0.331,622 0.23,623 -0.255,624 -0.313,625 0.005,626 -0.353,627 -0.128,628 -0.339,629 -0.25,630 -0.084,631 -0.091,632 -0.192,633 -0.144,634 -0.145,635 -0.233,636 0.094,637 0.065,638 0.162,639 0.147,640 0.11,641 0.187,642 -0.053,643 0.209,644 0.155,645 0.259,646 -0.014,647 0.303,648 1.552,649 2.385,650 0.571,651 24.653,652 1.015,653 1.136,654 2.194,655 4.812,656 0.662,657 3.434,658 3.761,659 4.06,660 4.331,661 4.5,662 4.522,663 4.511,664 4.522,665 4.595,666 4.615,667 6.942,668 0.636,669 403.91,670 3.434,671 4.977,672 5.838,673 6.727,674 7.602,675 8.496,676 9.374,677 10.268,678 11.149,679 12.043,680 10,684 2,685 1,690 2,694 2,695 4,696 2,700 8,702 17,711 2,712 1,716 3,717 1,718 50,719 17,720 2,721 30,723 52,724 19,725 14,726 8,727 4,729 3,730 4,731 1,739 1,741 14,742 5,754 1,757 22,758 8,759 5,760 9,761 1,764 5,769 0.667,770 3,776 1,781 3,785 1,802 2,806 3,807 1,810 28,811 2,816 2,817 1,818 3,828 1,829 6,834 3,836 15.333,837 9.793,838 6.417,839 2.576,840 3.358,841 1.455,842 0.97,843 6.538,844 10.736,845 3.676,846 4.331,847 4.97,848 5.581,849 6.122,850 6.388,851 6.628,852 6.889,853 7.2,854 7.213,855 0.875,856 48,857 10.249,859 4.218,860 7.813,861 19.213,863 15.013,865 2.313,866 64.778,869 1,870 200.109,871 109.312,872 117.376,873 39.149,874 33,877 109.312,878 272.257,879 117.376,880 32.649,881 4.64,882 103.699,883 51.582,884 62.89,885 4.227,886 200.109,887 39.149,888 200.109,889 226.688,890 33,891 39.149,893 176.567,894 56.542,897 8.683,898 166.423,899 90.73,901 200.109,902 150.376,903 148.46,906 200.109,907 38.758,908 70.554,909 18.011,910 171.514,911 200.109,912 150.376,913 148.46,915 0.576,916 0.362,917 0.208,918 0.106,919 19,920 10,921 0.135,922 7,923 1,924 1.125,925 3.855,926 236.388,927 0.125,928 16,929 126.606,933 20.575,934 8.897,935 4.318,936 1.179,937 150.376,938 7.475,939 8.134,943 4.376,945 83.805,946 498.945,947 38.5,956 50.767,957 56.801,958 0.308,959 0.667,960 0.78,961 0.825,962 0.835,963 0.864,964 4.914,965 1.41,966 5.838,967 5.794,968 4.443,969 5.017,970 1.751,971 6.683,972 4.304,973 6.147,974 1.222,975 7.424,976 3.596,977 4.111,978 5.007,980 7.67,981 3.909,982 7.482,983 1.056,984 9.108,985 2.766,986 6.071,987 7.327,988 1.466,989 10.78,990 5.83,991 8.856,992 0.396,993 10.851,994 2.191,995 6.538,996 8.113,998 12.575,999 6.221,1000 10.261,1001 0.387,1002 12.63,1003 0.798,1004 7.984,1005 9.944,1006 1.234,1007 15.224,1008 7.642,1009 11.687,1010 0.262,1011 14.434,1012 0.603,1013 8.823,1014 11.105,1016 17.364,1017 8.402,1018 13.131,1019 -0.105,1020 16.258,1021 0.381,1022 10.076,1023 12.745,1024 1.028,1025 19.854,1026 9.625,1027 3.212,1028 -0.219,1029 18.098,1030 -0.273,1031 11.087,1032 14.09,1034 22.142,1035 10.564,1036 3.061,1037 11.23,1038 19.949,1039 -0.474,1040 12.268,1041 15.651,1042 0.845,1043 24.573,1044 11.707,1045 2.548,1046 10.257,1047 21.811,1048 4.616,1049 13.356,1050 17.084,1052 26.924,1053 12.728,1054 2.277,1055 7.855,1056 23.68,1057 4.104,1058 14.513,1059 18.615,1060 0.684,1061 29.335,1062 13.84,1063 2.061,1064 6.751,1065 25.557,1066 3.41,1067 15.634,1068 20.091,1070 31.714,1071 14.901,1072 2.052,1073 6.118,1074 27.439,1075 2.881,1076 16.784,1077 21.611,1078 0.546,1079 34.118,1080 16.001,1081 1.981,1082 5.914,1083 29.326,1084 2.861,1085 17.922,1086 23.107,1088 36.51,1089 17.08,1090 9511,1091 17065,1092 19.304,1093 33.103,1094 43.713,1095 45.525,1096 47.076,1097 43.862,1098 43.85,1099 57.271,1100 5.96,1101 128.509,1102 40.444,1103 5.528,1104 5.411,1105 6.387,1106 5.233,1107 5.212,1108 7.616,1109 1.72,1110 18.464,1111 5.037,1112 17.096,1113 1.457,1114 1.518,1115 1.569,1116 1.462,1117 1.462,1118 1.909,1119 0.199,1120 4.284,1121 1.348,1122 4.075,1123 4.106,1124 4.134,1125 3.986,1126 5.316,1127 3.995,1128 3.947,1129 3.959,1130 3.908,1131 3.857,1132 4.991,1133 3.865,1134 3.572,1135 3.64,1136 3.586,1137 3.363,1138 4.971,1139 3.385,1140 3.391,1141 3.451,1142 3.368,1143 3.202,1144 4.852,1145 3.215,1146 3.303,1147 3.355,1148 3.226,1149 3.006,1150 4.58,1151 3.026,1152 3.219,1153 3.294,1154 3.144,1155 2.951,1156 4.465,1157 2.957,1158 3.144,1159 3.237,1160 3.009,1161 2.913,1162 4.441,1163 2.917,1164 3.128,1165 3.225,1166 2.932,1167 2.873,1168 4.288,1169 2.868,1170 0.155,1171 0.114,1172 0.228,1173 0.139,1174 0.107,1175 4.654,1176 0.154,1177 3.411,1178 0.029,1179 6.835,1180 0.374,1181 4.161,1182 0.101,1183 3.212,1184 4.616,1185 0.86,1186 11.23,1187 3.037,1188 2.006,1189 1.983,1190 2.051,1191 2.119,1192 1.248,1193 2.103,1194 1.901,1195 1.888,1196 1.992,1197 2.017,1198 1.161,1199 2.008,1200 1.5,1201 1.439,1202 1.708,1203 1.748,1204 0.876,1205 1.736,1206 1.333,1207 1.276,1208 1.59,1209 1.571,1210 0.584,1211 1.57,1212 1.227,1213 1.163,1214 1.57,1215 1.558,1216 0.572,1217 1.565,1218 1.173,1219 1.088,1220 1.532,1221 1.506,1222 0.556,1223 1.526,1224 1.119,1225 1.031,1226 1.463,1227 1.392,1228 0.422,1229 1.425,1230 1.042,1231 0.97,1232 1.279,1233 1.384,1234 0.227,1235 1.367,1236 4.111,1238 5.434,1240 6.969,1242 8.61,1244 10.306,1246 4.757,1247 6.496,1250 11.59,1252 1.332,1253 3.312,1254 16.127,1262 31.82,1263 87.01,1264 188.213,1265 220.154,1266 232.909,1267 235.663,1268 243.928,1269 49.896,1270 7.378,1271 117.54,1272 117.54,1273 18,1274 12.572,1275 4.17,1276 3.248,1277 49.954,1278 121,1279 100,1280 0.206,1281 201.719,1282 342.94,1283 483.953,1284 16090,1285 2,1286 20.259,1287 0.724,1288 0.594,1289 20.759,1290 16.631,1291 13.477,1292 0.449,1293 0.297,1294 8.356,1295 12.478,1296 8.051,1297 6.735,1298 13.766,1299 8.898,1300 11.765,1301 0.28,1302 0.152,1303 12.098,1304 6.377,1305 10.13,1306 0.178,1307 0.082,1308 10.558,1309 4.692,1310 8.894,1311 0.119,1312 0.044,1313 9.361,1314 3.312,1315 6.645,1316 0.075,1317 0.024,1318 6.879,1319 2.123,1320 0.329,1321 89.232,1322 0.228,1323 26.854,1324 0.55,1325 144,1326 473.658,1327 176.259,1328 478.463,1329 644.38,1330 448,1331 171,1332 450.513,1333 202.004,1334 468.523,1335 684.59,1336 435,1337 5.268}
{0 CHEMBL141469,1 1.712,2 12.655,3 3.74,4 13.987,5 116.817,6 7.886,7 0.548,8 4.075,9 4.197,10 3.673,11 3.538,12 5.241,13 3.539,14 4.579,15 4.753,16 4.022,17 3.899,18 5.685,19 3.881,20 4.735,21 4.905,22 4.224,23 4.074,24 5.855,25 4.041,26 4.863,27 5.042,28 4.255,29 4.13,30 6.015,31 4.064,32 4.973,33 5.182,34 3.945,35 4.097,36 5.977,37 3.983,38 4.899,39 5.141,40 3.705,41 3.981,42 5.791,43 3.824,44 4.849,45 5.146,46 3.542,47 3.86,48 5.637,49 3.673,50 4.615,51 4.894,52 3.564,53 3.71,54 5.475,55 3.575,56 0.112,57 0.767,58 10.663,59 4.427,60 13.278,61 5.757,62 0.444,63 1.126,64 21.436,65 7.584,66 34.947,67 9.738,68 0.53,69 1.325,70 25.322,71 8.534,72 31.589,73 11.588,74 0.549,75 1.399,76 32.048,77 10.354,78 50.231,79 13.999,80 0.811,81 1.416,82 38.971,83 11.381,84 66.257,85 14.883,86 0.635,87 1.304,88 34.805,89 10.59,90 56.661,91 14.85,92 0.673,93 1.158,94 37.637,95 10.672,96 56.617,97 15.623,98 0.447,99 0.993,100 26.053,101 7.914,102 40.132,103 11.661,104 46,105 43,106 0.286,107 0.627,108 0.755,109 0.795,110 0.804,111 0.83,112 3.407,113 0.91,114 -3.65,115 -3.62,116 -3.44,119 37.7,121 2,124 3,125 1,139 4,140 2,141 5,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 5,172 3,173 3,175 3,178 6,180 1,181 2,182 5,187 4,189 4,192 1,193 8,195 1,196 1,197 1,198 5,200 2,201 2,204 4,205 1,207 4,210 2,211 1,212 4,214 1,215 4,218 2,221 1,226 1,229 4,231 1,234 2,237 2,238 1,239 1,240 1,241 5,243 1,246 2,249 1,251 1,254 6,256 1,260 4,265 2,270 2,273 1257,274 19.61,275 19.61,276 19.61,277 19.61,278 19.61,279 17.476,280 27.954,281 11.38,282 20.447,283 15.076,284 15.076,285 15.076,286 15.076,287 15.076,288 11.65,289 36.429,290 5.084,291 16.206,292 4.016,293 1.971,294 1.208,295 0.968,296 0.916,297 0.76,298 4.088,299 1,301 1,302 1,303 771,304 3.464,307 272.37,311 143.697,314 1.76,315 29.248,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 63.833,327 367,328 4.654,329 3.411,330 6.835,331 4.161,332 3.211,333 4.616,334 0.86,335 11.23,336 3.037,337 4.419,338 3.377,339 6.523,340 4.008,341 3.061,342 4.104,343 0.86,344 10.257,345 2.897,346 3.907,347 2.755,348 5.8,349 3.469,350 2.546,351 3.41,352 0.86,353 7.853,354 2.341,355 3.571,356 2.588,357 5.293,358 3.263,359 2.284,360 2.88,361 0.4,362 6.754,363 2.223,364 3.454,365 2.555,366 5.19,367 2.991,368 2.061,369 2.861,371 6.118,372 1.911,373 3.389,374 2.218,375 5.097,376 2.972,377 2.058,378 2.712,380 5.916,381 1.867,382 3.355,383 2.064,384 5.009,385 2.926,386 1.984,387 2.604,389 5.795,390 1.861,391 2.721,392 1.976,393 4.259,394 2.446,395 1.51,396 1.789,398 3.633,399 1.406,400 2.535,401 1.918,402 3.841,403 2.219,404 1.303,405 1.538,407 3.048,408 1.14,409 2.195,410 1.437,411 3.575,412 1.972,413 1.135,414 1.181,415 2.363,416 0.943,417 1.776,418 1.042,419 3.11,420 1.539,421 0.608,422 0.683,423 1.346,424 0.553,425 1.576,426 0.916,427 2.859,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.426,434 0.774,435 2.824,436 1.167,437 0.321,438 0.345,439 0.432,440 0.268,441 1.296,442 0.461,443 2.74,444 0.976,445 0.046,446 0.055,448 0.102,449 0.041,450 1.186,451 0.194,452 2.558,453 0.722,454 -0.115,455 -0.141,457 -0.298,458 -0.084,459 13.714,460 0.473,461 0.695,462 0.024,463 38.25,464 1.319,465 19,466 0.655,467 19.25,468 0.664,469 24.493,470 0.845,471 32.486,472 0.613,473 29.412,474 1.014,475 7.763,476 0.268,477 6.214,478 0.214,479 0.22,481 0.365,485 0.973,486 1.364,487 0.69,488 1.072,489 1.063,490 0.941,491 1.18,492 0.876,493 0.7,494 0.745,495 0.776,496 0.732,497 0.85,498 1.175,499 0.804,500 0.961,501 0.801,502 0.911,503 0.809,504 1.292,505 1.055,506 1.32,507 0.703,508 1.198,509 1.477,510 0.99,511 1.409,512 1.159,513 1.373,514 1.23,515 1.082,516 1.087,517 1.145,518 1.179,519 1.041,520 1.259,521 0.705,522 0.731,523 0.983,524 0.885,525 0.762,526 0.916,527 0.722,528 0.837,529 0.72,530 0.776,531 0.752,532 0.835,533 6,534 0.182,535 3.333,536 2.875,537 2.333,538 0.882,539 0.425,540 0.255,541 0.197,542 0.278,543 11087,544 34201,545 1.993,546 45.3,547 2,548 15,551 5,553 2,555 1.714,556 1.832,557 3.569,558 2.494,560 1,564 90.738,565 1.712,566 3.757,567 4.52,568 4.76,569 4.812,570 4.968,571 3,572 4.349,573 4.836,574 3.762,575 1527.31,576 8.388,577 21691.7,579 1,581 1,582 303.58,583 1.519,584 4.768,585 0.194,586 0.006,587 0.078,588 0.059,589 0.051,590 0.026,591 0.017,592 0.011,593 0.008,594 0.011,595 0.46,596 0.17,597 1,598 0.976,599 149.885,600 -0.12,601 -0.097,602 0.014,603 -0.04,604 -0.181,605 0.02,606 -0.079,607 0.216,608 0.123,609 0.253,610 0.095,611 0.227,612 0.1,613 -0.043,614 0.102,615 0.057,616 0.051,617 0.059,618 0.135,619 -0.23,620 0.002,621 -0.265,622 0.231,623 -0.198,624 -0.276,625 -0.033,626 -0.333,627 -0.154,628 -0.301,629 -0.26,630 -0.157,631 -0.154,632 -0.211,633 -0.193,634 -0.191,635 -0.26,636 0.077,637 0.097,638 0.056,639 0.105,640 0.047,641 0.127,642 0.028,643 0.074,644 0.159,645 0.183,646 0.04,647 0.18,648 1.544,649 2.386,650 0.552,651 26.611,652 1.012,653 1.136,654 2.417,655 5.84,656 0.658,657 3.466,658 3.784,659 4.078,660 4.344,661 4.511,662 4.522,663 4.5,664 4.489,665 4.489,666 4.489,667 7.454,668 0.629,669 417.94,670 3.466,671 5.004,672 5.861,673 6.746,674 7.618,675 8.508,676 9.385,677 10.276,678 11.154,679 12.046,680 9.4,684 2,685 1,690 2,694 2,695 4,696 2,700 8,702 17,711 2,712 1,716 3,717 1,718 53,719 17,720 2,721 31,723 55,724 20,725 14,726 8,727 4,729 3,730 4,731 1,739 2,741 14,742 6,754 1,757 24,758 8,759 5,760 9,761 1,764 5,769 0.667,770 3,776 1,781 3,785 1,802 2,806 3,807 1,810 29,811 2,816 3,817 1,818 3,828 1,829 5.7,834 3,836 15.833,837 10.293,838 6.667,839 2.826,840 3.328,841 1.448,842 0.966,843 7.106,844 10.748,845 3.701,846 4.344,847 4.977,848 5.584,849 6.124,850 6.383,851 6.612,852 6.849,853 7.104,854 6.997,855 1,856 49,857 10.627,859 4.359,860 7.785,861 20.029,863 15.68,865 2.285,866 66.278,868 1,869 1,870 223.651,871 111.846,872 117.376,873 39.149,874 33,877 111.846,878 295.799,879 117.376,880 32.649,881 7.175,882 103.699,883 51.582,884 62.89,885 4.227,886 223.651,887 39.149,888 223.651,889 229.222,890 33,891 39.149,893 200.109,894 56.542,897 11.218,898 166.423,899 90.73,901 223.651,902 150.376,903 150.995,906 223.651,907 41.292,908 70.554,909 18.011,910 171.514,911 223.651,912 150.376,913 150.995,915 0.573,916 0.359,917 0.206,918 0.106,919 19,920 10,921 0.145,922 8,923 1,924 1.125,925 3.982,926 244.158,927 0.125,928 16,929 132.881,933 21.551,934 9.562,935 4.712,936 1.207,937 150.376,938 7.576,939 8.147,943 4.58,945 83.805,946 525.022,947 39.5,956 53.651,957 60.216,958 0.299,959 0.656,960 0.789,961 0.831,962 0.84,963 0.867,964 4.936,965 1.51,966 5.855,967 5.795,968 4.466,969 5.03,970 1.751,971 6.693,972 4.33,973 6.162,974 1.303,975 7.435,976 3.633,977 4.111,978 5.007,980 7.67,981 3.909,982 7.493,983 1.135,984 9.116,985 3.048,986 6.084,987 7.331,988 1.466,989 10.782,990 5.847,991 8.863,992 0.608,993 10.855,994 2.363,995 6.538,996 8.113,998 12.575,999 6.221,1000 10.266,1001 0.396,1002 12.633,1003 1.346,1004 7.991,1005 9.945,1006 1.234,1007 15.224,1008 7.652,1009 11.69,1010 0.321,1011 14.436,1012 0.603,1013 8.823,1014 11.105,1016 17.364,1017 8.403,1018 13.133,1019 0.046,1020 16.26,1021 0.432,1022 10.079,1023 12.745,1024 1.028,1025 19.854,1026 9.631,1027 3.211,1028 -0.115,1029 18.098,1030 0.102,1031 11.087,1032 14.09,1034 22.142,1035 10.564,1036 3.061,1037 11.23,1038 19.949,1039 -0.298,1040 12.269,1041 15.651,1042 0.845,1043 24.573,1044 11.709,1045 2.546,1046 10.257,1047 21.811,1048 4.616,1049 13.356,1050 17.084,1052 26.924,1053 12.729,1054 2.284,1055 7.853,1056 23.68,1057 4.104,1058 14.513,1059 18.615,1060 0.684,1061 29.335,1062 13.842,1063 2.061,1064 6.754,1065 25.557,1066 3.41,1067 15.634,1068 20.091,1070 31.714,1071 14.901,1072 2.058,1073 6.118,1074 27.439,1075 2.88,1076 16.784,1077 21.61,1078 0.546,1079 34.118,1080 16.002,1081 1.984,1082 5.916,1083 29.326,1084 2.861,1085 17.921,1086 23.107,1088 36.51,1089 17.081,1090 10900,1091 19296,1092 19.997,1093 34.864,1094 44.871,1095 46.852,1096 48.3,1097 45.104,1098 45.053,1099 58.459,1100 5.96,1101 130.901,1102 41.661,1103 5.554,1104 5.411,1105 6.514,1106 5.233,1107 5.211,1108 7.616,1109 1.72,1110 18.464,1111 5.037,1112 17.652,1113 1.447,1114 1.511,1115 1.558,1116 1.455,1117 1.453,1118 1.886,1119 0.192,1120 4.223,1121 1.344,1122 4.074,1123 4.106,1124 4.134,1125 3.985,1126 5.316,1127 3.994,1128 3.953,1129 3.966,1130 3.911,1131 3.864,1132 4.991,1133 3.871,1134 3.619,1135 3.686,1136 3.59,1137 3.434,1138 4.971,1139 3.441,1140 3.441,1141 3.502,1142 3.427,1143 3.253,1144 4.853,1145 3.273,1146 3.303,1147 3.355,1148 3.249,1149 3.006,1150 4.58,1151 3.026,1152 3.24,1153 3.31,1154 3.144,1155 2.992,1156 4.465,1157 2.999,1158 3.188,1159 3.269,1160 3.068,1161 2.936,1162 4.441,1163 2.943,1164 3.135,1165 3.236,1166 2.965,1167 2.893,1168 4.285,1169 2.891,1170 0.15,1171 0.11,1172 0.22,1173 0.134,1174 0.104,1175 4.654,1176 0.149,1177 3.411,1178 0.028,1179 6.835,1180 0.362,1181 4.161,1182 0.098,1183 3.211,1184 4.616,1185 0.86,1186 11.23,1187 3.037,1188 2.005,1189 1.982,1190 2.054,1191 2.118,1192 1.298,1193 2.102,1194 1.909,1195 1.894,1196 2.009,1197 2.023,1198 1.173,1199 2.018,1200 1.579,1201 1.519,1202 1.792,1203 1.8,1204 0.986,1205 1.799,1206 1.372,1207 1.314,1208 1.59,1209 1.608,1210 0.607,1211 1.599,1212 1.227,1213 1.163,1214 1.573,1215 1.558,1216 0.584,1217 1.565,1218 1.192,1219 1.118,1220 1.554,1221 1.51,1222 0.569,1223 1.529,1224 1.154,1225 1.067,1226 1.495,1227 1.444,1228 0.496,1229 1.472,1230 1.047,1231 0.979,1232 1.283,1233 1.384,1234 0.384,1235 1.367,1236 4.143,1238 5.46,1240 6.987,1242 8.622,1244 10.314,1246 4.796,1247 6.497,1250 11.598,1252 2.384,1253 3.335,1254 16.158,1262 33.347,1263 90.738,1264 199.102,1265 239.541,1266 252.296,1267 255.05,1268 263.315,1269 53.253,1270 7.421,1271 117.54,1272 117.54,1273 18,1274 12.576,1275 4.17,1276 3.248,1277 52.88,1278 135,1279 108,1280 0.194,1281 211.311,1282 360.24,1283 507.359,1284 17662,1285 1.9,1286 20.966,1287 0.723,1288 0.598,1289 21.466,1290 17.338,1291 13.977,1292 0.451,1293 0.303,1294 8.856,1295 12.978,1296 8.541,1297 7.151,1298 14.266,1299 9.398,1300 12.118,1301 0.282,1302 0.157,1303 12.452,1304 6.73,1305 10.38,1306 0.179,1307 0.085,1308 10.808,1309 4.921,1310 9.065,1311 0.119,1312 0.046,1313 9.532,1314 3.486,1315 6.8,1316 0.076,1317 0.025,1318 7.034,1319 2.254,1320 0.313,1321 92.232,1322 0.224,1323 27.89,1324 0.506,1325 148,1326 477.658,1327 180.259,1328 482.624,1329 650.14,1330 452,1331 175,1332 454.513,1333 206.004,1334 472.683,1335 690.31,1336 439,1337 4.721}
{0 CHEMBL141585,1 1.693,2 10.043,3 2.289,4 5.241,5 87.658,6 8.009,7 0.68,8 3.801,9 3.928,10 3.415,11 3.237,12 5.045,13 3.271,14 4.253,15 4.417,16 3.758,17 3.564,18 5.483,19 3.589,20 4.375,21 4.541,22 3.838,23 3.674,24 5.612,25 3.692,26 4.436,27 4.619,28 3.73,29 3.685,30 5.618,31 3.655,32 4.513,33 4.738,34 3.533,35 3.645,36 5.614,37 3.566,38 4.408,39 4.679,40 3.306,41 3.5,42 5.358,43 3.391,44 4.216,45 4.486,46 3.302,47 3.319,48 5.203,49 3.249,50 4.006,51 4.213,52 3.23,53 3.175,54 5.156,55 3.164,56 0.119,57 0.621,58 7.362,59 2.763,60 12.42,61 3.577,62 0.361,63 0.893,64 13.724,65 4.742,66 28.618,67 6.058,68 0.43,69 1.029,70 14.848,71 4.617,72 29.293,73 6.23,74 0.347,75 1.027,76 16.276,77 5.699,78 29.118,79 7.812,80 0.553,81 1.002,82 19.955,83 6.156,84 45.875,85 8.554,86 0.395,87 0.86,88 19.209,89 5.63,90 35.211,91 8.652,92 0.318,93 0.699,94 16.318,95 5.013,96 26.964,97 7.604,98 0.262,99 0.626,100 11.34,101 3.059,102 23.429,103 4.341,104 21,105 35,106 0.301,107 0.633,108 0.752,109 0.832,110 0.841,111 0.85,112 3.188,113 0.815,114 -3.16,115 -3.16,116 -3.03,119 38.5,124 2,139 5,141 3,143 2,144 2,147 1,157 2,158 2,159 2,166 2,169 1,170 4,172 3,173 4,175 3,178 1,181 3,182 5,184 1,185 1,187 2,189 1,193 4,195 1,196 2,197 1,198 2,200 2,201 2,204 2,205 1,207 2,209 1,210 4,211 1,212 2,214 1,215 3,218 2,220 1,221 1,229 1,233 1,234 6,238 1,239 2,240 1,243 2,246 3,251 1,256 1,259 2,262 1,263 1,265 2,270 2,273 673,274 15.566,275 15.566,276 15.566,277 15.566,278 15.566,279 13.505,280 23.044,281 9.001,282 16.202,283 12.214,284 12.214,285 12.214,286 12.214,287 12.214,288 9.004,289 34.645,290 4.112,291 13.085,292 3.593,293 1.72,294 1.054,295 0.603,296 0.552,297 0.5,298 3.869,300 1,301 1,302 1,303 490,304 2.646,307 190.499,311 100.303,314 1.44,315 22.034,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51,327 231,328 4.543,329 3.21,330 6.503,331 4.034,332 3.083,333 4.492,334 0.86,335 10.179,336 2.931,337 4.269,338 3.118,339 6.168,340 3.851,341 2.903,342 3.914,343 0.86,344 9.141,345 2.747,346 3.814,347 2.702,348 5.512,349 3.417,350 2.487,351 3.26,352 0.4,353 7.446,354 2.308,355 3.519,356 2.281,357 5.076,358 3.077,359 2.147,360 2.868,362 6.127,363 1.996,364 3.424,365 2.179,366 5.052,367 2.948,368 2.008,369 2.811,371 5.796,372 1.88,373 3.274,374 2.101,375 4.891,376 2.808,377 1.861,378 2.578,380 5.53,381 1.757,382 2.919,383 1.942,384 4.361,385 2.521,386 1.608,387 2.057,389 4.116,390 1.461,391 2.452,392 1.101,393 3.709,394 1.955,395 1.007,396 1.432,398 2.565,399 0.952,400 1.939,401 1.057,402 3.148,403 1.623,404 0.727,405 0.854,407 1.384,408 0.645,409 1.581,410 0.935,411 2.951,412 1.252,413 0.383,414 0.427,415 0.682,416 0.328,417 1.447,418 0.436,419 2.698,420 1.119,421 0.218,422 0.266,423 0.396,424 0.196,425 1.082,426 0.065,427 2.55,428 0.711,429 -0.208,430 -0.259,431 -0.455,432 -0.19,433 0.957,434 -0.241,435 2.484,436 0.474,437 -0.446,438 -0.575,439 -1.134,440 -0.409,441 0.659,442 -0.307,443 2.319,444 0.268,445 -0.642,446 -0.763,448 -1.42,449 -0.575,450 0.582,451 -0.611,452 2.165,453 0.133,454 -0.815,455 -1.065,457 -2.13,458 -0.767,459 10.567,460 0.459,461 0.571,462 0.025,463 34.5,464 1.5,465 18.5,466 0.804,467 16,468 0.696,469 13.954,470 0.607,471 24.833,472 0.637,473 24.644,474 1.071,475 7.084,476 0.308,477 4.017,478 0.175,479 0.17,481 0.379,485 1.085,486 1.381,487 0.772,488 1.072,489 1.26,490 0.872,491 1.162,492 0.974,493 0.724,494 0.834,495 0.733,496 0.734,497 1.077,498 1.126,499 0.954,500 0.967,501 0.926,502 0.924,503 0.949,504 1.31,505 1.049,506 1.302,507 0.794,508 1.222,509 1.127,510 0.893,511 1.248,512 1.059,513 1.206,514 1.177,515 0.76,516 0.89,517 1.016,518 0.977,519 0.88,520 1.027,521 0.609,522 0.844,523 0.62,524 0.83,525 0.426,526 0.748,527 1.408,528 1.117,529 1.162,530 1.019,531 1.407,532 1.015,533 5.5,534 0.099,535 2.444,536 1.75,537 1.631,538 0.535,539 0.505,540 0.233,541 0.242,542 0.209,543 5533,544 17067,545 2.041,546 41,548 11,551 5,555 1.655,556 1.89,557 3.301,558 2.761,559 1,560 1,562 1,564 66.018,565 1.693,566 3.565,567 4.231,568 4.683,569 4.734,570 4.785,571 2.736,572 4.524,573 4.497,574 3.417,575 864.416,576 7.73,577 9801.28,578 1,579 1,581 1,582 206.131,583 1.478,584 4.443,585 0.22,586 0.008,587 0.07,588 0.047,589 0.051,590 0.021,591 0.025,592 0.011,593 0.013,594 0.013,595 0.48,596 0.17,597 1,598 0.942,599 107.741,600 -0.192,601 -0.159,602 0.018,603 -0.039,604 -0.33,605 0.037,606 -0.02,607 0.108,608 0.181,609 0.177,610 0.155,611 0.196,612 -0.04,613 0.027,614 -0.082,615 -0.009,616 -0.046,617 -0.04,618 -0.037,619 -0.245,620 -0.161,621 -0.289,622 0.062,623 -0.265,624 -0.11,625 0.078,626 -0.277,627 -0.086,628 -0.2,629 -0.21,630 -0.013,631 0.016,632 -0.01,633 0.008,634 -0.078,635 0.009,636 0.197,637 0.008,638 0.418,639 0.191,640 0.363,641 0.327,642 -0.325,643 -0.079,644 -0.212,645 -0.087,646 -0.343,647 -0.104,648 1.544,649 1.845,650 0.696,651 18.382,652 1.018,653 1.141,654 1.935,655 3.743,656 0.66,657 3.258,658 3.584,659 3.85,660 4.111,661 4.331,662 4.344,663 4.431,664 4.5,665 4.635,666 4.644,667 5.811,668 0.646,669 312.37,670 3.258,671 4.796,672 5.645,673 6.526,674 7.391,675 8.274,676 9.143,677 10.026,678 10.898,679 11.78,680 15.4,684 2,688 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,716 2,718 39,719 17,720 1,721 25,723 41,724 15,725 13,726 3,727 3,729 3,730 4,741 13,742 2,753 1,754 1,757 16,758 8,759 5,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 2,810 23,811 2,817 1,818 2,829 5.1,834 2,836 12.167,837 7.517,838 5.167,839 1.918,840 3.382,841 1.48,842 0.995,843 4.252,844 10.425,845 3.541,846 4.205,847 4.826,848 5.443,849 6.037,850 6.298,851 6.668,852 7.063,853 7.518,854 7.708,855 0.857,856 37,857 8.378,859 3.464,860 7.841,861 15.58,863 12.108,865 2.341,866 53.833,870 129.482,871 93.234,872 134.162,874 22,877 93.234,878 151.482,879 134.162,880 21.766,882 113.176,883 50.357,884 57.542,885 6.555,886 129.482,888 129.482,889 227.396,890 22,893 129.482,894 22,897 24.198,898 152.841,899 50.357,901 129.482,902 156.161,903 93.234,906 129.482,907 24.087,908 69.147,909 18.011,910 138.151,911 129.482,912 156.161,913 93.234,915 0.579,916 0.349,917 0.193,918 0.103,919 17,920 8,921 0.098,922 4,923 1,924 1.125,925 3.481,926 181.795,927 0.125,928 16,929 104.042,933 15.429,934 6.339,935 3.168,936 1.081,937 156.161,938 9.036,939 12.433,943 3.029,945 83.805,946 378.878,947 33.5,956 39.683,957 44.485,958 0.32,959 0.675,960 0.801,961 0.886,962 0.896,963 0.905,964 4.764,965 1.007,966 5.638,967 4.116,968 4.263,969 4.89,970 1.454,971 6.447,972 4.136,973 5.997,974 0.727,975 7.198,976 2.565,977 3.892,978 4.808,980 7.322,981 3.711,982 7.322,983 0.383,984 8.851,985 1.384,986 5.861,987 7.185,988 1.175,989 10.392,990 5.625,991 8.682,992 0.218,993 10.556,994 0.682,995 6.256,996 7.878,998 12.045,999 5.96,1000 10.068,1001 -0.208,1002 12.294,1003 0.396,1004 7.716,1005 9.756,1006 0.966,1007 14.639,1008 7.379,1009 11.474,1010 -0.446,1011 14.055,1012 -0.455,1013 8.477,1014 10.835,1016 16.641,1017 8.079,1018 12.896,1019 -0.642,1020 15.834,1021 -1.134,1022 9.727,1023 12.496,1024 0.788,1025 19.056,1026 9.291,1027 3.083,1028 -0.815,1029 17.626,1030 -1.42,1031 10.668,1032 13.779,1034 21.22,1035 10.173,1036 2.903,1037 10.179,1038 19.428,1039 -2.13,1040 11.83,1041 15.342,1042 0.634,1043 23.565,1044 11.294,1045 2.487,1046 9.141,1047 21.24,1048 4.492,1049 12.858,1050 16.728,1052 25.802,1053 12.266,1054 2.147,1055 7.446,1056 23.06,1057 3.914,1058 13.984,1059 18.248,1060 0.504,1061 28.12,1062 13.349,1063 2.008,1064 6.127,1065 24.886,1066 3.26,1067 15.054,1068 19.687,1070 30.393,1071 14.364,1072 1.861,1073 5.796,1074 26.717,1075 2.868,1076 16.167,1077 21.189,1078 0.395,1079 32.702,1080 15.432,1081 1.608,1082 5.53,1083 28.553,1084 2.811,1085 17.256,1086 22.655,1088 34.992,1089 16.469,1090 5450,1091 9693,1092 16.414,1093 25.75,1094 36.882,1095 37.689,1096 38.742,1097 36.791,1098 36.862,1099 49.917,1100 4.24,1101 106.723,1102 34.402,1103 5.306,1104 5.21,1105 6.056,1106 5.106,1107 5.083,1108 7.492,1109 1.72,1110 17.073,1111 4.931,1112 12.252,1113 1.475,1114 1.508,1115 1.55,1116 1.472,1117 1.474,1118 1.997,1119 0.17,1120 4.269,1121 1.376,1122 4.055,1123 4.098,1124 4.032,1125 3.921,1126 5.325,1127 3.943,1128 3.9,1129 3.921,1130 3.859,1131 3.8,1132 4.991,1133 3.811,1134 3.478,1135 3.545,1136 3.421,1137 3.264,1138 4.944,1139 3.295,1140 3.255,1141 3.319,1142 3.113,1143 2.996,1144 4.785,1145 3.014,1146 3.247,1147 3.314,1148 3.051,1149 2.95,1150 4.496,1151 2.958,1152 3.115,1153 3.229,1154 3.006,1155 2.822,1156 4.379,1157 2.858,1158 2.943,1159 3.038,1160 2.789,1161 2.721,1162 4.173,1163 2.724,1164 2.767,1165 2.843,1166 2.581,1167 2.618,1168 3.908,1169 2.6,1170 0.182,1171 0.128,1172 0.26,1173 0.161,1174 0.123,1175 4.543,1176 0.18,1177 3.21,1178 0.034,1179 6.503,1180 0.407,1181 4.034,1182 0.117,1183 3.083,1184 4.492,1185 0.86,1186 10.179,1187 2.931,1188 1.967,1189 1.932,1190 2.023,1191 2.122,1192 1.094,1193 2.094,1194 1.856,1195 1.837,1196 1.939,1197 1.982,1198 1.02,1199 1.969,1200 1.383,1201 1.322,1202 1.576,1203 1.641,1204 0.577,1205 1.616,1206 1.2,1207 1.131,1208 1.574,1209 1.524,1210 0.574,1211 1.539,1212 1.191,1213 1.114,1214 1.503,1215 1.491,1216 0.432,1217 1.509,1218 1.006,1219 0.909,1220 1.273,1221 1.383,1222 0.186,1223 1.364,1224 0.898,1225 0.816,1226 1.148,1227 1.17,1228 0.102,1229 1.169,1230 0.784,1231 0.713,1232 1.047,1233 0.982,1235 1.017,1236 3.932,1238 5.252,1240 6.779,1242 8.402,1244 10.073,1246 3.169,1250 11.419,1253 3.175,1254 10.491,1262 25.192,1263 66.018,1264 139.037,1265 165.011,1266 182.621,1267 184.621,1268 186.621,1269 29.583,1270 7.043,1271 121.2,1272 121.2,1273 18,1274 12.316,1275 4.17,1276 3.248,1277 36.961,1278 81,1279 75,1280 0.229,1281 157.814,1282 260.74,1283 376.827,1284 9982,1286 16.397,1287 0.713,1288 0.552,1289 16.397,1290 12.7,1291 11.101,1292 0.444,1293 0.272,1294 6.628,1295 10.47,1296 6.442,1297 5.403,1298 11.101,1299 6.792,1300 9.908,1301 0.283,1302 0.135,1303 9.908,1304 4.726,1305 8.331,1306 0.181,1307 0.07,1308 8.331,1309 3.243,1310 7.132,1311 0.119,1312 0.036,1313 7.132,1314 2.187,1315 5.67,1316 0.076,1317 0.019,1318 5.67,1319 1.412,1320 0.358,1321 71.046,1322 0.247,1323 22.523,1324 0.628,1325 120,1326 395.364,1327 136.303,1328 379.463,1329 524.38,1330 356,1331 141,1332 395.485,1333 157.165,1334 401.244,1335 583.38,1336 374,1337 5.959}
{0 CHEMBL141698,1 1.664,2 9.292,3 2.495,4 6.227,5 92.555,6 7.771,7 0.654,8 3.863,9 3.992,10 3.457,11 3.295,12 5.081,13 3.321,14 4.335,15 4.516,16 3.807,17 3.63,18 5.517,19 3.65,20 4.445,21 4.606,22 3.923,23 3.783,24 5.646,25 3.795,26 4.573,27 4.748,28 3.865,29 3.859,30 5.725,31 3.821,32 4.721,33 4.954,34 3.768,35 3.873,36 5.775,37 3.787,38 4.663,39 4.914,40 3.629,41 3.754,42 5.637,43 3.665,44 4.537,45 4.782,46 3.479,47 3.61,48 5.543,49 3.532,50 4.389,51 4.65,52 3.372,53 3.459,54 5.423,55 3.365,56 0.096,57 0.66,58 8.305,59 3.058,60 11.876,61 4.139,62 0.384,63 0.957,64 15.851,65 5.034,66 29.424,67 6.754,68 0.364,69 1.128,70 16.351,71 5.266,72 25.134,73 7.244,74 0.344,75 1.211,76 18.873,77 6.623,78 29.244,79 9.224,80 0.597,81 1.239,82 24.912,83 7.991,84 46.163,85 11.592,86 0.454,87 1.093,88 24.61,89 7.502,90 38.1,91 11.154,92 0.49,93 0.95,94 21.972,95 6.235,96 42.287,97 9.016,98 0.401,99 0.826,100 18.84,101 5.562,102 34.4,103 8.604,104 30,105 37,106 0.291,107 0.625,108 0.753,109 0.826,110 0.843,111 0.868,112 3.229,113 0.829,114 -3.41,115 -3.39,116 -3.25,119 38.1,124 3,139 5,141 3,143 2,144 2,147 1,157 2,158 2,159 2,166 2,169 2,170 7,172 3,173 3,178 1,181 3,182 7,184 1,185 1,189 1,192 1,193 3,195 1,196 1,197 1,198 2,200 2,201 1,204 2,205 1,206 4,207 3,209 2,210 2,212 2,215 2,218 2,220 1,221 3,229 2,234 3,236 1,237 1,239 1,241 1,243 1,245 2,246 2,248 1,249 1,251 1,256 1,259 2,260 2,262 1,263 1,265 2,270 2,273 754,274 16.118,275 16.118,276 16.118,277 16.118,278 16.118,279 14.107,280 22.861,281 9.215,282 16.799,283 12.665,284 12.665,285 12.665,286 12.665,287 12.665,288 9.484,289 32.061,290 4.185,291 13.6,292 3.728,293 1.822,294 1.092,295 0.673,296 0.578,297 0.435,298 3.906,300 1,301 1,302 1,303 470,304 3,307 195.728,311 101.211,314 1.375,315 21.731,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 53,327 223,328 4.561,329 3.365,330 6.65,331 4.1,332 3.156,333 4.497,334 0.86,335 10.624,336 2.979,337 4.356,338 3.093,339 6.472,340 3.95,341 3,342 3.974,343 0.86,344 10.048,345 2.847,346 3.843,347 2.782,348 5.725,349 3.44,350 2.507,351 3.294,352 0.8,353 7.667,354 2.335,355 3.55,356 2.623,357 5.22,358 3.136,359 2.218,360 2.888,362 6.47,363 2.03,364 3.432,365 2.228,366 5.065,367 2.99,368 2.074,369 2.811,371 5.894,372 1.895,373 3.403,374 2.073,375 5.012,376 2.93,377 1.987,378 2.718,380 5.793,381 1.869,382 2.913,383 1.746,384 4.58,385 2.49,386 1.541,387 2.061,389 4.383,390 1.458,391 2.454,392 1.26,393 3.717,394 1.959,395 1.008,396 1.435,398 2.565,399 0.956,400 2.147,401 1.059,402 3.618,403 1.778,404 0.839,405 1.061,407 2.057,408 0.784,409 1.838,410 0.932,411 3.025,412 1.56,413 0.691,414 0.768,415 1.211,416 0.596,417 1.45,418 0.893,419 2.76,420 1.176,421 0.322,422 0.353,423 0.435,424 0.273,425 1.316,426 0.097,427 2.644,428 0.882,429 -0.038,430 -0.05,431 -0.095,432 -0.035,433 0.966,434 -0.032,435 2.533,436 0.474,437 -0.446,438 -0.575,439 -0.898,440 -0.409,441 0.746,442 -0.298,443 2.391,444 0.392,445 -0.515,446 -0.603,448 -1.157,449 -0.458,450 0.599,451 -0.617,452 2.207,453 0.144,454 -0.814,455 -1.041,457 -2.09,458 -0.765,459 11.067,460 0.461,461 0.644,462 0.027,463 35.25,464 1.469,465 18.5,466 0.771,467 16.75,468 0.698,469 16.03,470 0.668,471 26.133,472 0.622,473 26.526,474 1.105,475 7.247,476 0.302,477 4.281,478 0.178,479 0.208,481 0.398,485 1.049,486 1.493,487 0.78,488 1.163,489 1.23,490 0.942,491 1.211,492 0.877,493 0.713,494 0.706,495 0.72,496 0.64,497 1.118,498 1.162,499 0.925,500 0.979,501 0.89,502 0.917,503 0.969,504 1.332,505 1.115,506 1.322,507 0.875,508 1.263,509 0.788,510 0.916,511 1.073,512 1.096,513 0.918,514 1.136,515 0.966,516 0.998,517 0.981,518 1.049,519 0.785,520 1.026,521 1.356,522 0.849,523 1.132,524 0.909,525 1.228,526 0.974,527 0.697,528 1,529 0.905,530 1.041,531 0.759,532 1.019,533 5.5,534 0.091,535 3.111,536 2,537 1.951,538 0.938,539 0.505,540 0.373,541 0.271,542 0.169,543 5694,544 17020,545 2.015,546 42.9,548 14,551 4,555 1.673,556 1.846,557 3.189,558 1.86,559 1,560 1,562 1,564 69.909,565 1.664,566 3.571,567 4.3,568 4.719,569 4.815,570 4.957,571 2.657,572 4.137,573 4.558,574 3.309,575 913.169,576 7.883,577 10445.6,578 1,579 1,581 1,582 226.477,583 1.528,584 4.493,585 0.212,586 0.01,587 0.084,588 0.049,589 0.053,590 0.029,591 0.018,592 0.016,593 0.013,594 0.011,595 0.494,596 0.17,597 1,598 0.961,599 112.453,600 -0.148,601 -0.256,602 0.037,603 -0.107,604 -0.291,605 -0.004,606 -0.032,607 0.212,608 0.225,609 0.287,610 0.171,611 0.292,612 -0.089,613 0.025,614 -0.049,615 0.011,616 -0.032,617 -0.009,618 -0.075,619 -0.211,620 -0.24,621 -0.296,622 -0.051,623 -0.306,624 0.109,625 0.069,626 -0.116,627 -0.101,628 -0.019,629 -0.146,630 -0.038,631 -0.092,632 0.015,633 -0.048,634 0.039,635 -0.01,636 -0.227,637 0.058,638 -0.115,639 0.059,640 -0.225,641 0.004,642 0.176,643 -0.095,644 0.097,645 -0.059,646 0.161,647 -0.005,648 1.544,649 1.923,650 0.667,651 18.083,652 1.014,653 1.14,654 2.184,655 4.77,656 0.655,657 3.296,658 3.638,659 3.932,660 4.19,661 4.443,662 4.5,663 4.543,664 4.615,665 4.718,666 4.7,667 5.48,668 0.636,669 326.4,670 3.296,671 4.844,672 5.707,673 6.597,674 7.478,675 8.372,676 9.258,677 10.154,678 11.042,679 11.938,680 14.3,684 2,688 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,714 1,716 2,718 42,719 17,720 1,721 26,723 44,724 16,725 13,726 3,727 3,729 3,730 4,741 13,742 3,753 1,754 1,757 18,758 8,759 4,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 3,810 24,811 2,818 2,821 1,829 4.8,834 2,836 13,837 8.467,838 5.389,839 2.093,840 3.404,841 1.48,842 0.982,843 4.487,844 10.499,845 3.57,846 4.234,847 4.873,848 5.488,849 6.096,850 6.39,851 6.75,852 7.142,853 7.577,854 7.754,855 1,856 41,857 8.755,859 3.606,860 7.806,861 16.362,863 12.724,865 2.306,866 55.333,869 1,870 164.795,871 101.631,872 119.275,874 22,877 101.631,878 186.795,879 119.275,880 30.162,882 113.176,883 50.357,884 42.656,885 6.555,886 164.795,888 164.795,889 220.906,890 22,893 164.795,894 22,897 9.312,898 161.238,899 50.357,901 164.795,902 141.275,903 101.631,906 164.795,907 24.087,908 80.668,910 138.151,911 164.795,912 141.275,913 101.631,915 0.583,916 0.358,917 0.194,918 0.109,919 18,920 9,921 0.091,922 4,923 1,924 1.125,925 3.457,926 198.447,927 0.125,928 16,929 108.039,933 16.392,934 6.569,935 3.129,936 1.088,937 141.275,938 9.165,939 12.634,943 3.242,945 65.794,946 407.701,947 34.5,956 42.567,957 47.9,958 0.309,959 0.662,960 0.797,961 0.875,962 0.893,963 0.919,964 4.806,965 1.008,966 5.714,967 4.383,968 4.317,969 4.92,970 1.593,971 6.555,972 4.186,973 6.044,974 0.839,975 7.299,976 2.565,977 4.007,978 4.856,979 0.325,980 7.513,981 3.813,982 7.374,983 0.691,984 8.981,985 2.057,986 5.948,987 7.215,988 1.294,989 10.611,990 5.702,991 8.741,992 0.322,993 10.716,994 1.211,995 6.415,996 7.928,997 0.268,998 12.35,999 6.101,1000 10.136,1001 -0.038,1002 12.486,1003 0.435,1004 7.854,1005 9.792,1006 1.061,1007 14.984,1008 7.501,1009 11.55,1010 -0.446,1011 14.279,1012 -0.095,1013 8.677,1014 10.884,1015 0.188,1016 17.059,1017 8.257,1018 12.981,1019 -0.515,1020 16.089,1021 -0.898,1022 9.923,1023 12.537,1024 0.861,1025 19.522,1026 9.463,1027 3.156,1028 -0.814,1029 17.914,1030 -1.157,1031 10.913,1032 13.827,1033 0.125,1034 21.747,1035 10.389,1036 3,1037 10.624,1038 19.748,1039 -2.09,1040 12.083,1041 15.386,1042 0.69,1043 24.141,1044 11.515,1045 2.507,1046 10.048,1047 21.592,1048 4.497,1049 13.15,1050 16.775,1051 0.082,1052 26.432,1053 12.521,1054 2.218,1055 7.667,1056 23.443,1057 3.974,1058 14.293,1059 18.293,1060 0.544,1061 28.798,1062 13.615,1063 2.074,1064 6.47,1065 25.299,1066 3.294,1067 15.395,1068 19.733,1069 0.054,1070 31.119,1071 14.658,1072 1.987,1073 5.894,1074 27.161,1075 2.888,1076 16.529,1077 21.234,1078 0.424,1079 33.474,1080 15.74,1081 1.541,1082 5.793,1083 29.026,1084 2.811,1085 17.647,1086 22.701,1087 0.035,1088 35.809,1089 16.801,1090 5656,1091 9905,1092 16.819,1093 27.512,1094 38.701,1095 39.508,1096 41.244,1097 38.626,1098 38.687,1099 51.719,1100 5.04,1101 114.294,1102 36.043,1103 5.337,1104 5.365,1105 6.219,1106 5.173,1107 5.156,1108 7.497,1109 1.72,1110 17.797,1111 4.979,1112 13.668,1113 1.488,1114 1.52,1115 1.586,1116 1.486,1117 1.488,1118 1.989,1119 0.194,1120 4.396,1121 1.386,1122 4.062,1123 4.104,1124 4.039,1125 3.928,1126 5.324,1127 3.95,1128 3.904,1129 3.927,1130 3.864,1131 3.802,1132 4.99,1133 3.814,1134 3.503,1135 3.573,1136 3.439,1137 3.292,1138 4.927,1139 3.321,1140 3.322,1141 3.372,1142 3.182,1143 3.042,1144 4.768,1145 3.064,1146 3.224,1147 3.314,1148 3.063,1149 2.984,1150 4.602,1151 2.99,1152 3.134,1153 3.229,1154 2.999,1155 2.865,1156 4.279,1157 2.853,1158 3.112,1159 3.225,1160 2.884,1161 2.808,1162 4.124,1163 2.846,1164 2.782,1165 2.866,1166 2.589,1167 2.642,1168 3.931,1169 2.617,1170 0.175,1171 0.129,1172 0.256,1173 0.158,1174 0.121,1175 4.561,1176 0.173,1177 3.365,1178 0.033,1179 6.65,1180 0.409,1181 4.1,1182 0.115,1183 3.156,1184 4.497,1185 0.86,1186 10.624,1187 2.979,1188 1.971,1189 1.937,1190 2.028,1191 2.126,1192 1.122,1193 2.098,1194 1.859,1195 1.839,1196 1.942,1197 1.987,1198 1.021,1199 1.973,1200 1.421,1201 1.355,1202 1.636,1203 1.674,1204 0.681,1205 1.661,1206 1.24,1207 1.18,1208 1.59,1209 1.565,1210 0.585,1211 1.569,1212 1.194,1213 1.106,1214 1.531,1215 1.472,1216 0.554,1217 1.49,1218 1.125,1219 1.03,1220 1.467,1221 1.415,1222 0.391,1223 1.455,1224 1,1225 0.898,1226 1.273,1227 1.383,1228 0.177,1229 1.364,1230 0.813,1231 0.741,1232 1.107,1233 1.012,1234 0.007,1235 1.047,1236 3.97,1238 5.303,1240 6.847,1242 8.487,1244 10.176,1246 5.101,1250 11.522,1254 10.71,1257 1.872,1262 26.719,1263 69.909,1264 149.974,1265 180.603,1266 198.213,1267 202.213,1268 208.213,1269 32.478,1270 7.095,1271 112.41,1272 112.41,1273 18,1274 12.464,1275 4.17,1276 3.248,1277 39.131,1278 79,1279 76,1280 0.249,1281 167.407,1282 278.04,1283 400.233,1284 10378,1286 17.267,1287 0.719,1288 0.569,1289 17.267,1290 13.647,1291 11.528,1292 0.443,1293 0.276,1294 7.009,1295 10.858,1296 6.761,1297 5.687,1298 11.528,1299 7.187,1300 10.33,1301 0.279,1302 0.138,1303 10.33,1304 5.101,1305 8.976,1306 0.18,1307 0.073,1308 8.976,1309 3.663,1310 7.422,1311 0.114,1312 0.037,1313 7.422,1314 2.414,1315 6.001,1316 0.071,1317 0.019,1318 6.001,1319 1.588,1320 0.381,1321 73.825,1322 0.244,1323 23.006,1324 0.713,1325 126,1326 406.676,1327 142.664,1328 389.738,1329 540.44,1330 366,1331 150,1332 409.401,1333 166.944,1334 415.935,1335 606.11,1336 387,1337 8.377}
{0 CHEMBL141708,1 1.636,2 10.875,3 1.953,4 3.816,5 93.195,6 7.888,7 0.654,8 3.833,9 3.953,10 3.439,11 3.322,12 5.071,13 3.337,14 4.284,15 4.444,16 3.766,17 3.659,18 5.495,19 3.661,20 4.4,21 4.549,22 3.844,23 3.781,24 5.598,25 3.769,26 4.505,27 4.697,28 3.729,29 3.77,30 5.684,31 3.712,32 4.537,33 4.769,34 3.492,35 3.701,36 5.567,37 3.607,38 4.382,39 4.626,40 3.288,41 3.578,42 5.353,43 3.449,44 4.296,45 4.578,46 3.241,47 3.414,48 5.19,49 3.306,50 4.03,51 4.235,52 3.295,53 3.264,54 5.142,55 3.228,56 0.081,57 0.63,58 7.7,59 3.217,60 12.011,61 4.015,62 0.33,63 0.917,64 14.271,65 5.441,66 29.1,67 6.701,68 0.279,69 1.055,70 14.953,71 5.745,72 21.295,73 7.448,74 0.328,75 1.102,76 18.078,77 6.877,78 37.331,79 9.059,80 0.406,81 1.038,82 21.014,83 6.867,84 40.627,85 9.39,86 0.232,87 0.901,88 17.608,89 6.464,90 29.28,91 9.178,92 0.243,93 0.779,94 17.87,95 5.904,96 28.285,97 8.761,98 0.2,99 0.65,100 11.871,101 4.128,102 19.415,103 5.673,104 21,105 36,106 0.286,107 0.648,108 0.76,109 0.829,110 0.846,111 0.854,112 3.228,113 0.83,114 -3.82,115 -3.78,116 -3.59,119 41.5,124 2,134 2,139 4,140 3,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 8,169 2,170 6,172 3,173 3,175 1,178 8,180 1,181 1,182 8,187 1,189 7,191 1,192 1,193 6,195 3,196 3,197 1,198 2,200 2,201 5,204 2,205 1,207 5,212 2,215 4,218 2,221 6,226 2,229 3,231 2,234 5,239 2,241 1,243 2,245 1,246 6,251 3,256 3,259 1,260 3,265 2,270 2,273 754,274 16.273,275 16.273,276 16.273,277 16.273,278 16.273,279 14.107,280 13.557,281 9.449,282 16.851,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.281,289 15.44,290 4.317,291 13.45,292 3.722,293 1.656,294 1.012,295 0.622,296 0.525,297 0.476,298 3.91,300 1,301 1,302 1,303 554,304 2.828,307 207.503,311 109.017,314 1.563,315 20.507,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 52.5,327 261,328 4.543,329 3.194,330 6.502,331 4.039,332 3.079,333 4.494,334 0.86,335 10.175,336 2.96,337 4.273,338 3.11,339 6.165,340 3.854,341 2.899,342 3.927,343 0.86,344 9.125,345 2.768,346 3.844,347 2.497,348 5.367,349 3.418,350 2.447,351 3.317,353 7.013,354 2.374,355 3.585,356 2.317,357 5.192,358 3.179,359 2.216,360 2.948,362 6.494,363 2.128,364 3.427,365 2.171,366 5.062,367 2.965,368 2.031,369 2.811,371 5.8,372 1.889,373 3.363,374 2.126,375 4.964,376 2.877,377 1.947,378 2.688,380 5.735,381 1.802,382 2.919,383 1.988,384 4.365,385 2.521,386 1.609,387 2.057,389 4.124,390 1.461,391 2.499,392 1.125,393 3.71,394 1.946,395 1.01,396 1.446,398 2.565,399 0.943,400 2.421,401 1.058,402 3.314,403 1.814,404 0.854,405 1.24,407 1.907,408 0.814,409 1.881,410 0.936,411 3.012,412 1.521,413 0.603,414 0.756,415 1.144,416 0.549,417 1.472,418 0.72,419 2.753,420 1.194,421 0.34,422 0.373,423 0.467,424 0.288,425 1.402,426 0.141,427 2.609,428 0.951,429 0.021,430 0.028,431 0.049,432 0.019,433 0.976,434 -0.064,435 2.51,436 0.527,437 -0.403,438 -0.505,439 -0.81,440 -0.37,441 0.861,442 -0.298,443 2.415,444 0.456,445 -0.468,446 -0.593,448 -1.156,449 -0.429,450 0.607,451 -0.518,452 2.232,453 0.186,454 -0.756,455 -0.915,457 -1.878,458 -0.698,459 11.167,460 0.465,461 0.571,462 0.024,463 35.5,464 1.479,465 19.5,466 0.813,467 16,468 0.667,469 14.803,470 0.617,471 25.433,472 0.62,473 25.664,474 1.069,475 7.35,476 0.306,477 4.251,478 0.177,479 0.161,481 0.358,485 1.023,486 1.26,487 0.772,488 1.038,489 1.226,490 0.875,491 1.158,492 0.74,493 0.762,494 0.741,495 0.75,496 0.709,497 0.966,498 1.295,499 0.937,500 1.127,501 0.874,502 1.039,503 0.892,504 1.042,505 1.079,506 1.219,507 0.813,508 1.2,509 1.25,510 0.936,511 1.201,512 0.981,513 1.146,514 1.071,515 0.712,516 1.053,517 1.092,518 1.189,519 0.91,520 1.211,521 0.639,522 0.803,523 0.705,524 0.808,525 0.634,526 0.773,527 0.949,528 1.148,529 0.831,530 1.038,531 0.756,532 0.941,533 5.5,534 0.169,535 2.667,536 1.5,537 1.791,538 0.535,539 0.303,540 0.342,541 0.176,542 0.192,543 6534,544 19653,545 2.04,546 41.5,548 12,550 1,551 4,555 1.664,556 1.895,557 3.403,558 1.819,559 1,560 1,562 1,564 67.076,565 1.636,566 3.701,567 4.345,568 4.735,569 4.833,570 4.882,571 2.872,572 4.168,573 4.559,574 3.539,575 976.854,576 7.841,577 11707.1,578 1,579 1,581 1,582 219.66,583 1.459,584 4.507,585 0.212,586 0.011,587 0.074,588 0.039,589 0.056,590 0.021,591 0.015,592 0.017,593 0.008,594 0.01,595 0.464,596 0.17,597 1,598 0.921,599 115.344,600 -0.138,601 -0.085,602 0.025,603 -0.022,604 -0.292,605 0.034,606 0.001,607 0.325,608 0.146,609 0.263,610 0.141,611 0.222,612 -0.012,613 -0.193,614 -0.081,615 -0.124,616 -0.051,617 -0.113,618 0.023,619 -0.009,620 -0.167,621 -0.227,622 0.095,623 -0.242,624 -0.245,625 0.002,626 -0.21,627 0.005,628 -0.188,629 -0.081,630 -0.046,631 -0.126,632 -0.135,633 -0.162,634 -0.118,635 -0.165,636 0.076,637 0.048,638 0.335,639 0.211,640 0.137,641 0.309,642 0.044,643 -0.18,644 0.131,645 -0.038,646 0.145,647 0.043,648 1.555,649 1.877,650 0.667,651 20.153,652 1.011,653 1.132,654 2.589,655 6.703,656 0.671,657 3.296,658 3.611,659 3.871,660 4.111,661 4.331,662 4.317,663 4.344,664 4.407,665 4.522,666 4.522,667 6.312,668 0.651,669 323.39,670 3.296,671 4.828,672 5.673,673 6.547,674 7.407,675 8.282,676 9.146,677 10.021,678 10.889,679 11.764,680 12.2,684 2,690 3,694 2,695 5,696 3,700 6,702 17,711 2,716 2,718 41,719 18,720 1,721 26,723 43,724 17,725 13,726 3,727 3,728 2,729 3,730 4,741 15,742 2,744 1,749 2,753 1,754 1,757 17,758 7,759 4,760 7,764 5,769 0.667,770 2,775 1,776 1,781 3,785 1,795 2,802 2,806 2,810 24,811 2,818 2,829 4.9,834 2,836 12.667,837 7.933,838 5.417,839 2.06,840 3.989,841 1.562,842 0.989,843 4.602,844 11.084,845 3.597,846 4.248,847 4.888,848 5.494,849 6.102,850 6.406,851 6.78,852 7.192,853 7.649,854 7.913,855 1,856 38,857 8.746,859 3.595,860 7.806,861 16.362,863 12.732,865 2.306,866 55.333,870 153.024,871 113.044,872 116.151,874 22,877 113.044,878 175.024,879 116.151,880 21.766,882 122.652,883 62.128,884 52.193,885 4.227,886 141.253,888 153.024,889 229.195,890 22,893 154.74,894 22,897 10.947,898 147.224,899 69.309,901 153.024,902 138.151,903 113.044,906 153.024,907 25.373,908 87.671,910 138.151,911 153.024,912 138.151,913 113.044,915 0.577,916 0.347,917 0.19,918 0.102,919 17,920 8,921 0.093,922 4,923 1,924 1.125,925 3.616,926 189.081,927 0.125,928 16,929 110.039,933 16.179,934 6.826,935 3.478,936 1.141,937 138.151,938 9.248,939 12.281,943 3.619,945 65.794,946 404.219,947 35.5,952 3.864,956 41.465,957 46.402,958 0.305,959 0.691,960 0.811,961 0.884,962 0.902,963 0.911,964 4.814,965 1.01,966 5.659,967 4.124,968 4.29,969 4.934,970 1.376,971 6.457,972 4.188,973 6.046,974 0.854,975 7.213,976 2.565,977 3.892,978 4.808,980 7.322,981 3.754,982 7.365,983 0.603,984 8.86,985 1.907,986 5.878,987 7.225,988 1.159,989 10.383,990 5.697,991 8.72,992 0.34,993 10.561,994 1.144,995 6.256,996 7.895,998 12.036,999 6.032,1000 10.103,1001 0.021,1002 12.296,1003 0.467,1004 7.722,1005 9.789,1006 0.963,1007 14.621,1008 7.467,1009 11.507,1010 -0.403,1011 14.054,1012 0.049,1013 8.471,1014 10.856,1016 16.626,1017 8.169,1018 12.927,1019 -0.468,1020 15.83,1021 -0.81,1022 9.723,1023 12.523,1024 0.787,1025 19.037,1026 9.392,1027 3.079,1028 -0.756,1029 17.619,1030 -1.156,1031 10.657,1032 13.798,1034 21.203,1035 10.276,1036 2.899,1037 10.175,1038 19.421,1039 -1.878,1040 11.818,1041 15.363,1042 0.634,1043 23.546,1044 11.407,1045 2.447,1046 9.125,1047 21.231,1048 4.494,1049 12.842,1050 16.746,1052 25.786,1053 12.383,1054 2.216,1055 7.013,1056 23.05,1057 3.927,1058 13.967,1059 18.266,1060 0.504,1061 28.104,1062 13.474,1063 2.031,1064 6.494,1065 24.875,1066 3.317,1067 15.034,1068 19.703,1070 30.378,1071 14.496,1072 1.947,1073 5.8,1074 26.706,1075 2.948,1076 16.146,1077 21.205,1078 0.395,1079 32.687,1080 15.571,1081 1.609,1082 5.735,1083 28.542,1084 2.811,1085 17.234,1086 22.67,1088 34.978,1089 16.616,1090 6403,1091 11225,1092 17.107,1093 27.506,1094 38.489,1095 38.895,1096 39.921,1097 38.033,1098 38.11,1099 52.168,1100 3.44,1101 109.197,1102 35.991,1103 5.164,1104 5.194,1105 6.056,1106 5.113,1107 5.079,1108 7.494,1109 1.72,1110 17.069,1111 4.96,1112 12.74,1113 1.48,1114 1.496,1115 1.535,1116 1.463,1117 1.466,1118 2.006,1119 0.132,1120 4.2,1121 1.384,1122 4.061,1123 4.1,1124 4.036,1125 3.957,1126 5.325,1127 3.97,1128 3.919,1129 3.937,1130 3.877,1131 3.828,1132 4.983,1133 3.838,1134 3.545,1135 3.595,1136 3.485,1137 3.395,1138 4.942,1139 3.411,1140 3.294,1141 3.353,1142 3.185,1143 3.066,1144 4.82,1145 3.089,1146 3.247,1147 3.314,1148 3.051,1149 2.952,1150 4.497,1151 2.96,1152 3.111,1153 3.225,1154 3.003,1155 2.865,1156 4.43,1157 2.865,1158 3.081,1159 3.165,1160 2.91,1161 2.809,1162 4.181,1163 2.844,1164 2.779,1165 2.855,1166 2.612,1167 2.637,1168 4.001,1169 2.617,1170 0.175,1171 0.123,1172 0.25,1173 0.155,1174 0.118,1175 4.543,1176 0.173,1177 3.194,1178 0.033,1179 6.502,1180 0.391,1181 4.039,1182 0.114,1183 3.079,1184 4.494,1185 0.86,1186 10.175,1187 2.96,1188 1.991,1189 1.963,1190 2.055,1191 2.12,1192 1.15,1193 2.098,1194 1.883,1195 1.863,1196 1.96,1197 1.993,1198 1.052,1199 1.985,1200 1.486,1201 1.445,1202 1.632,1203 1.681,1204 0.639,1205 1.668,1206 1.227,1207 1.166,1208 1.576,1209 1.524,1210 0.574,1211 1.539,1212 1.191,1213 1.115,1214 1.535,1215 1.509,1216 0.546,1217 1.52,1218 1.068,1219 0.985,1220 1.322,1221 1.38,1222 0.25,1223 1.365,1224 0.994,1225 0.896,1226 1.258,1227 1.295,1228 0.147,1229 1.308,1230 0.801,1231 0.732,1232 1.088,1233 0.992,1235 1.028,1236 3.97,1238 5.283,1240 6.801,1242 8.416,1244 10.079,1246 3.209,1250 11.448,1254 10.525,1262 26.697,1263 67.076,1264 151.743,1265 178.15,1266 194.15,1267 198.15,1268 200.15,1269 31.839,1270 7.095,1271 109.17,1272 109.17,1273 18,1274 12.305,1275 4.248,1276 3.392,1277 39.521,1278 93,1279 82,1280 0.212,1281 167.277,1282 281.7,1283 399.917,1284 11138,1286 17.104,1287 0.713,1288 0.556,1289 17.104,1290 13.354,1291 11.601,1292 0.446,1293 0.277,1294 7.044,1295 11.03,1296 6.825,1297 5.735,1298 11.601,1299 7.193,1300 10.25,1301 0.285,1302 0.14,1303 10.25,1304 5.055,1305 8.647,1306 0.184,1307 0.074,1308 8.647,1309 3.495,1310 7.228,1311 0.12,1312 0.038,1313 7.228,1314 2.309,1315 5.784,1316 0.077,1317 0.02,1318 5.784,1319 1.536,1320 0.337,1321 73.684,1322 0.242,1323 23.613,1324 0.567,1325 124,1326 395.031,1327 137.917,1328 381.699,1329 525.86,1330 358,1331 145,1332 391.88,1333 158.751,1334 401.188,1335 580.77,1336 373,1337 5.678}
{0 CHEMBL141808,1 1.693,2 11,3 2.115,4 4.474,5 100.441,6 7.748,7 0.607,8 3.954,9 4.079,10 3.538,11 3.363,12 5.17,13 3.395,14 4.434,15 4.608,16 3.87,17 3.693,18 5.609,19 3.717,20 4.533,21 4.688,22 3.996,23 3.834,24 5.747,25 3.847,26 4.659,27 4.839,28 3.942,29 3.878,30 5.81,31 3.853,32 4.787,33 4.995,34 3.766,35 3.868,36 5.859,37 3.798,38 4.707,39 4.949,40 3.499,41 3.775,42 5.638,43 3.652,44 4.655,45 4.967,46 3.437,47 3.631,48 5.506,49 3.499,50 4.377,51 4.641,52 3.473,53 3.457,54 5.368,55 3.405,56 0.132,57 0.699,58 9.272,59 3.421,60 13.361,61 4.581,62 0.48,63 1.001,64 17.896,65 5.673,66 35.36,67 7.461,68 0.529,69 1.171,70 18.234,71 5.957,72 32.679,73 8.212,74 0.453,75 1.225,76 21.429,77 7.207,78 35.29,79 10.122,80 0.84,81 1.212,82 27.453,83 8.137,84 60.423,85 11.092,86 0.592,87 1.11,88 25.654,89 7.704,90 46.541,91 11.408,92 0.574,93 0.973,94 27.078,95 7.415,96 48.555,97 12.039,98 0.382,99 0.801,100 19.11,101 5.393,102 31.125,103 8.375,104 35,105 39,106 0.291,107 0.61,108 0.725,109 0.772,110 0.783,111 0.814,112 3.304,113 0.833,114 -2.92,115 -2.92,116 -2.83,119 37,124 3,125 1,139 4,140 1,141 3,143 2,144 2,147 1,157 2,158 2,159 2,166 3,169 1,170 4,172 3,173 4,175 2,178 1,181 4,182 6,184 1,185 1,187 3,192 1,193 5,195 1,196 1,197 1,198 2,200 2,201 1,204 2,205 1,207 3,209 1,210 5,211 1,212 2,214 1,215 3,218 2,224 1,229 2,233 2,234 4,238 1,239 1,240 1,243 1,245 1,246 7,251 2,256 2,260 1,265 1,270 1,273 920,274 17.643,275 17.643,276 17.643,277 17.643,278 17.643,279 15.582,280 26.188,281 10.181,282 18.444,283 13.619,284 13.619,285 13.619,286 13.619,287 13.619,288 10.281,289 37.292,290 4.557,291 14.648,292 3.83,293 1.971,294 1.305,295 1.028,296 0.968,297 0.788,298 3.985,300 1,301 1,302 1,303 602,304 3.082,307 229.767,311 120.969,314 1.538,315 26.477,317 1,318 1,319 0.83,320 1,321 0.8,323 1,324 1,325 0.8,326 58,327 286,328 4.541,329 3.379,330 6.523,331 4.032,332 3.081,333 4.491,334 0.86,335 10.257,336 2.929,337 4.42,338 3.121,339 6.502,340 4.005,341 3.058,342 4.104,343 0.86,344 10.174,345 2.893,346 3.785,347 2.712,348 5.381,349 3.389,350 2.452,351 3.238,352 0.86,353 7.048,354 2.298,355 3.555,356 2.555,357 5.218,358 3.178,359 2.22,360 2.879,361 0.657,362 6.571,363 2.119,364 3.427,365 2.428,366 5.19,367 2.972,368 2.061,369 2.811,371 6.118,372 1.883,373 3.356,374 2.161,375 5.062,376 2.961,377 2.031,378 2.678,380 5.801,381 1.867,382 3.355,383 2.031,384 4.965,385 2.888,386 1.947,387 2.604,389 5.738,390 1.827,391 2.454,392 1.951,393 3.811,394 2.012,395 1.173,396 1.435,398 2.565,399 0.982,400 2.236,401 1.105,402 3.71,403 1.954,404 1.008,405 1.222,407 2.532,408 0.948,409 1.886,410 1.057,411 3.227,412 1.627,413 0.717,414 0.811,415 1.598,416 0.65,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.43,426 0.875,427 2.744,428 1.159,429 0.315,430 0.339,431 0.416,432 0.264,433 1.33,434 0.247,435 2.58,436 0.944,437 0.021,438 0.027,439 0.049,440 0.019,441 0.976,442 0.046,443 2.492,444 0.529,445 -0.392,446 -0.471,448 -0.767,449 -0.356,450 0.834,451 -0.294,452 2.439,453 0.455,454 -0.461,455 -0.583,457 -1.154,458 -0.419,459 11.9,460 0.458,461 0.622,462 0.024,463 37,464 1.423,465 19,466 0.731,467 18,468 0.692,469 18.085,470 0.696,471 28.9,472 0.628,473 28.198,474 1.085,475 7.715,476 0.297,477 4.835,478 0.186,479 0.193,481 0.378,485 1.051,486 1.458,487 0.791,488 1.187,489 1.192,490 0.953,491 1.286,492 0.866,493 0.771,494 0.739,495 0.848,496 0.675,497 0.911,498 1.2,499 0.896,500 1.072,501 0.849,502 0.983,503 0.923,504 1.35,505 1.017,506 1.352,507 0.784,508 1.226,509 1.423,510 0.904,511 1.319,512 1.053,513 1.272,514 1.177,515 1.058,516 1.073,517 1.262,518 1.181,519 1.082,520 1.264,521 0.526,522 0.653,523 0.702,524 0.718,525 0.553,526 0.735,527 0.783,528 0.905,529 0.655,530 0.795,531 0.599,532 0.707,533 6,534 0.206,535 2.889,536 2.063,537 2.182,538 0.653,539 0.384,540 0.373,541 0.188,542 0.278,543 7796,544 23970,545 2.014,546 43.5,548 15,551 5,555 1.688,556 1.857,557 3.402,558 2.634,559 1,560 1,564 77.894,565 1.693,566 3.552,567 4.218,568 4.496,569 4.556,570 4.735,571 2.844,572 4.162,573 4.676,574 3.56,575 1157.13,576 8.087,577 14653.3,579 1,581 1,582 254.084,583 1.502,584 4.615,585 0.214,586 0.01,587 0.074,588 0.048,589 0.056,590 0.021,591 0.017,592 0.016,593 0.008,594 0.012,595 0.476,596 0.17,597 1,598 0.998,599 127.934,600 -0.157,601 -0.197,602 0.031,603 -0.095,604 -0.257,605 0.008,606 -0.099,607 0.213,608 0.175,609 0.278,610 0.092,611 0.272,612 0.096,613 -0.014,614 -0.014,615 -0.046,616 0.036,617 -0.047,618 0.008,619 -0.254,620 -0.116,621 -0.312,622 0.075,623 -0.25,624 -0.195,625 0.057,626 -0.326,627 -0.07,628 -0.216,629 -0.223,630 -0.158,631 -0.137,632 -0.289,633 -0.179,634 -0.25,635 -0.257,636 0.175,637 0.165,638 0.338,639 0.243,640 0.215,641 0.321,642 0.071,643 -0.01,644 0.354,645 0.193,646 0.238,647 0.322,648 1.546,649 1.873,650 0.615,651 22.059,652 1.017,653 1.142,654 1.688,655 2.85,656 0.646,657 3.367,658 3.689,659 3.97,660 4.234,661 4.443,662 4.431,663 4.466,664 4.511,665 4.615,666 4.654,667 6.467,668 0.63,669 356.43,670 3.367,671 4.905,672 5.759,673 6.642,674 7.512,675 8.396,676 9.27,677 10.154,678 11.029,679 11.913,680 13,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 3,718 46,719 17,720 1,721 28,723 48,724 17,725 13,726 4,727 2,729 3,730 4,741 13,742 4,753 1,754 1,757 20,758 9,759 5,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 1,817 1,818 3,829 6.5,834 3,836 14,837 9.1,838 5.944,839 2.265,840 3.363,841 1.464,842 0.971,843 5.489,844 10.618,845 3.624,846 4.277,847 4.903,848 5.509,849 6.08,850 6.317,851 6.599,852 6.901,853 7.304,854 7.402,855 1,856 43,857 9.493,859 3.888,860 7.827,861 17.706,863 13.659,865 2.327,866 60.5,870 176.567,871 102.419,872 134.162,874 33,877 102.419,878 209.566,879 134.162,880 32.649,881 2.106,882 103.699,883 68.367,884 56.204,885 6.555,886 176.567,888 176.567,889 236.581,890 33,893 176.567,894 33,897 8.293,898 159.92,899 68.367,901 176.567,902 167.161,903 102.419,906 176.567,907 31.865,908 70.554,909 18.011,910 149.151,911 176.567,912 167.161,913 102.419,915 0.574,916 0.355,917 0.202,918 0.109,919 18,920 9,921 0.125,922 6,923 1,924 1.125,925 3.713,926 213.724,927 0.125,928 16,929 114.211,933 18.29,934 7.803,935 3.865,936 1.086,937 167.161,938 7.321,939 12.489,943 3.643,945 83.805,946 446.147,947 36.5,956 46.778,957 52.524,958 0.307,959 0.643,960 0.764,961 0.814,962 0.825,963 0.857,964 4.854,965 1.173,966 5.753,967 5.738,968 4.369,969 4.963,970 1.841,971 6.575,972 4.237,973 6.083,974 1.008,975 7.322,976 2.565,977 4.007,978 4.913,980 7.496,981 3.835,982 7.411,983 0.717,984 8.986,985 2.532,986 5.979,987 7.259,988 1.538,989 10.577,990 5.742,991 8.776,992 0.396,993 10.705,994 1.598,995 6.399,996 7.989,998 12.288,999 6.111,1000 10.169,1001 0.315,1002 12.458,1003 0.603,1004 7.854,1005 9.84,1006 1.278,1007 14.899,1008 7.519,1009 11.582,1010 0.021,1011 14.235,1012 0.416,1013 8.643,1014 10.948,1016 16.957,1017 8.252,1018 13.011,1019 -0.392,1020 16.03,1021 0.049,1022 9.893,1023 12.594,1024 1.053,1025 19.398,1026 9.46,1027 3.081,1028 -0.461,1029 17.839,1030 -0.767,1031 10.861,1032 13.894,1034 21.609,1035 10.37,1036 3.058,1037 10.257,1038 19.66,1039 -1.154,1040 12.03,1041 15.449,1042 0.858,1043 23.981,1044 11.494,1045 2.452,1046 10.174,1047 21.491,1048 4.491,1049 13.081,1050 16.844,1052 26.257,1053 12.489,1054 2.22,1055 7.048,1056 23.329,1057 4.104,1058 14.218,1059 18.358,1060 0.691,1061 28.602,1062 13.579,1063 2.061,1064 6.571,1065 25.174,1066 3.238,1067 15.307,1068 19.8,1070 30.905,1071 14.613,1072 2.031,1073 6.118,1074 27.024,1075 2.879,1076 16.432,1077 21.298,1078 0.549,1079 33.239,1080 15.69,1081 1.947,1082 5.801,1083 28.879,1084 2.811,1085 17.539,1086 22.763,1088 35.554,1089 16.742,1090 7690,1091 13611,1092 18.205,1093 29.728,1094 40.809,1095 42.203,1096 43.609,1097 40.826,1098 40.963,1099 54.182,1100 6.475,1101 118.942,1102 38.044,1103 5.372,1104 5.379,1105 6.066,1106 5.105,1107 5.081,1108 7.491,1109 1.72,1110 17.178,1111 4.929,1112 14.929,1113 1.457,1114 1.507,1115 1.557,1116 1.458,1117 1.463,1118 1.935,1119 0.231,1120 4.248,1121 1.359,1122 4.053,1123 4.097,1124 4.029,1125 3.919,1126 5.325,1127 3.94,1128 3.934,1129 3.947,1130 3.898,1131 3.834,1132 4.99,1133 3.847,1134 3.52,1135 3.59,1136 3.455,1137 3.298,1138 4.972,1139 3.328,1140 3.317,1141 3.378,1142 3.195,1143 3.1,1144 4.796,1145 3.116,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.209,1153 3.287,1154 3.009,1155 2.901,1156 4.465,1157 2.902,1158 3.116,1159 3.229,1160 2.981,1161 2.833,1162 4.321,1163 2.861,1164 3.044,1165 3.146,1166 2.847,1167 2.783,1168 4.161,1169 2.785,1170 0.162,1171 0.121,1172 0.233,1173 0.144,1174 0.11,1175 4.541,1176 0.16,1177 3.379,1178 0.031,1179 6.523,1180 0.366,1181 4.032,1182 0.105,1183 3.081,1184 4.491,1185 0.86,1186 10.257,1187 2.929,1188 1.963,1189 1.928,1190 2.024,1191 2.121,1192 1.165,1193 2.093,1194 1.884,1195 1.87,1196 1.96,1197 2.007,1198 1.045,1199 1.992,1200 1.425,1201 1.363,1202 1.618,1203 1.692,1204 0.692,1205 1.668,1206 1.26,1207 1.202,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.568,1215 1.53,1216 0.57,1217 1.539,1218 1.165,1219 1.078,1220 1.51,1221 1.494,1222 0.521,1223 1.513,1224 1.039,1225 0.943,1226 1.356,1227 1.383,1228 0.389,1229 1.364,1230 0.994,1231 0.89,1232 1.272,1233 1.304,1234 0.09,1235 1.33,1236 4.043,1238 5.361,1240 6.889,1242 8.517,1244 10.197,1246 4.721,1250 11.469,1252 0.491,1253 3.23,1254 16.052,1262 28.96,1263 77.894,1264 163.401,1265 194.045,1266 206.8,1267 209.555,1268 217.819,1269 38.941,1270 7.255,1271 130.43,1272 130.43,1273 18,1274 12.447,1275 4.17,1276 3.248,1277 44.513,1278 104,1279 90,1280 0.214,1281 180.995,1282 304.13,1283 433.389,1284 13420,1286 18.681,1287 0.719,1288 0.567,1289 18.681,1290 14.738,1291 12.55,1292 0.448,1293 0.278,1294 7.569,1295 11.767,1296 7.321,1297 6.151,1298 12.55,1299 7.779,1300 10.98,1301 0.282,1302 0.139,1303 10.98,1304 5.418,1305 9.353,1306 0.18,1307 0.073,1308 9.353,1309 3.785,1310 8.033,1311 0.118,1312 0.038,1313 8.033,1314 2.584,1315 6.45,1316 0.077,1317 0.021,1318 6.45,1319 1.732,1320 0.339,1321 80.9,1322 0.234,1323 25.137,1324 0.579,1325 134,1326 455.099,1327 152.849,1328 429.66,1329 589.41,1330 404,1331 158,1332 436.467,1333 177.431,1334 443.278,1335 645.13,1336 411,1337 5.854}
{0 CHEMBL141903,1 1.717,2 11,3 3.3,4 10.891,5 105.753,6 8.128,7 0.607,8 3.94,9 4.064,10 3.566,11 3.433,12 5.123,13 3.433,14 4.426,15 4.594,16 3.925,17 3.797,18 5.571,19 3.776,20 4.595,21 4.768,22 4.095,23 3.958,24 5.712,25 3.923,26 4.699,27 4.874,28 4.091,29 3.993,30 5.858,31 3.913,32 4.78,33 5.012,34 3.78,35 3.932,36 5.786,37 3.791,38 4.687,39 4.96,40 3.618,41 3.755,42 5.591,43 3.613,44 4.507,45 4.758,46 3.561,47 3.637,48 5.455,49 3.533,50 4.378,51 4.604,52 3.648,53 3.605,54 5.419,55 3.521,56 0.1,57 0.686,58 8.742,59 3.713,60 12.544,61 4.753,62 0.346,63 1.013,64 17.323,65 6.5,66 30.021,67 8.239,68 0.327,69 1.181,70 21.257,71 7.273,72 25.806,73 9.606,74 0.441,75 1.219,76 26.842,77 8.783,78 45.295,79 11.569,80 0.644,81 1.231,82 32.696,83 9.727,84 55.212,85 13.321,86 0.499,87 1.061,88 30.057,89 8.706,90 48.531,91 12.561,92 0.476,93 0.892,94 25.054,95 7.113,96 41.531,97 9.621,98 0.369,99 0.834,100 20.8,101 6.208,102 32.886,103 8.402,104 30,105 39,106 0.295,107 0.658,108 0.781,109 0.846,110 0.861,111 0.884,112 3.304,113 0.897,114 -3.94,115 -3.9,116 -3.7,119 39.1,121 1,124 2,125 1,139 5,140 2,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 7,172 3,173 3,175 3,178 5,180 1,182 6,187 4,189 5,193 4,195 1,196 1,197 1,198 5,200 2,201 3,204 4,205 1,206 1,207 1,210 3,211 1,212 3,214 1,215 4,218 2,224 1,226 2,229 4,231 1,234 3,238 1,239 1,240 1,241 4,243 1,246 6,251 1,254 4,256 1,260 5,265 2,268 3,270 2,273 944,274 17.533,275 17.533,276 17.533,277 17.533,278 17.533,279 15.399,280 23.112,281 10.153,282 18.211,283 13.654,284 13.654,285 13.654,286 13.654,287 13.654,288 10.33,289 29.118,290 4.608,291 14.621,292 3.807,293 1.697,294 0.981,295 0.598,296 0.511,297 0.381,298 3.984,299 1,300 1,301 1,302 1,303 604,304 3.082,307 227.122,311 117.99,314 1.538,315 25.105,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 56.833,327 286,328 4.654,329 3.411,330 6.835,331 4.161,332 3.212,333 4.616,334 0.86,335 11.23,336 3.037,337 4.266,338 3.179,339 6.172,340 3.872,341 2.903,342 3.91,343 0.86,344 9.167,345 2.81,346 3.906,347 2.754,348 5.799,349 3.465,350 2.543,351 3.41,352 0.4,353 7.853,354 2.334,355 3.545,356 2.685,357 5.221,358 3.167,359 2.242,360 2.861,362 6.493,363 2.066,364 3.454,365 2.239,366 5.097,367 2.991,368 2.059,369 2.855,371 5.917,372 1.911,373 3.389,374 2.083,375 5.009,376 2.927,377 1.985,378 2.712,380 5.795,381 1.861,382 2.951,383 2.057,384 4.419,385 2.641,386 1.686,387 2.085,389 4.352,390 1.602,391 2.71,392 1.864,393 4.248,394 2.259,395 1.373,396 1.781,398 3.567,399 1.158,400 2.305,401 1.288,402 3.489,403 2.042,404 1.072,405 1.277,407 2.457,408 1.038,409 1.927,410 1.17,411 3.09,412 1.641,413 0.77,414 0.863,415 1.362,416 0.663,417 1.587,418 0.915,419 2.93,420 1.274,421 0.381,422 0.434,423 0.765,424 0.329,425 1.445,426 0.626,427 2.822,428 1.154,429 0.273,430 0.313,431 0.425,432 0.233,433 1.2,434 0.291,435 2.689,436 0.784,437 -0.105,438 -0.131,439 -0.273,440 -0.082,441 1.063,442 0.101,443 2.579,444 0.659,445 -0.222,446 -0.266,448 -0.481,449 -0.191,450 0.862,451 -0.193,452 2.36,453 0.456,454 -0.458,455 -0.574,457 -1.073,458 -0.415,459 12.381,460 0.476,461 0.644,462 0.025,463 35.75,464 1.375,465 18.5,466 0.712,467 17.25,468 0.663,469 19.93,470 0.767,471 28.419,472 0.618,473 26.319,474 1.012,475 7.264,476 0.279,477 5.265,478 0.202,479 0.203,481 0.363,485 0.982,486 1.288,487 0.665,488 0.972,489 1.102,490 0.874,491 1.088,492 0.893,493 0.678,494 0.763,495 0.697,496 0.752,497 1.068,498 1.171,499 0.847,500 0.942,501 0.902,502 0.906,503 0.954,504 1.314,505 1.17,506 1.348,507 0.849,508 1.274,509 0.901,510 1.004,511 1.329,512 1.219,513 1.12,514 1.257,515 0.802,516 0.912,517 0.918,518 0.972,519 0.777,520 0.977,521 1.276,522 0.695,523 1.039,524 0.763,525 1.037,526 0.829,527 0.973,528 0.847,529 0.976,530 0.918,531 0.971,532 0.912,533 5.5,534 0.178,535 3.111,536 2.313,537 1.862,538 0.764,539 0.425,540 0.262,541 0.296,542 0.228,543 7896,544 24314,545 2.014,546 43.5,548 13,551 5,553 2,555 1.688,556 1.857,557 3.4,558 2.596,559 1,560 1,564 78.977,565 1.717,566 3.827,567 4.543,568 4.926,569 5.012,570 5.143,571 2.844,572 4.133,573 4.676,574 3.565,575 1158.76,576 8.087,577 14751.2,579 1,581 1,582 254.084,583 1.502,584 4.615,585 0.196,586 0.008,587 0.08,588 0.054,589 0.049,590 0.027,591 0.018,592 0.011,593 0.012,594 0.009,595 0.464,596 0.17,597 1,598 0.923,599 128.101,600 -0.141,601 -0.052,602 0.005,603 0.008,604 -0.226,605 0.044,606 -0.035,607 0.201,608 0.111,609 0.217,610 0.13,611 0.19,612 -0.12,613 -0.061,614 0.049,615 0.046,616 -0.063,617 0.039,618 0.022,619 -0.277,620 -0.096,621 -0.31,622 0.106,623 -0.293,624 0.033,625 -0.053,626 -0.236,627 -0.213,628 -0.138,629 -0.259,630 0.048,631 -0.035,632 0.067,633 0.01,634 0.073,635 0.049,636 -0.18,637 0.204,639 0.219,640 -0.107,641 0.165,642 -0.022,643 0.13,644 0.057,645 0.08,646 -0.05,647 0.08,648 1.545,649 2.368,650 0.615,651 22.178,652 1.012,653 1.134,654 2.715,655 7.369,656 0.671,657 3.367,658 3.689,659 3.97,660 4.22,661 4.407,662 4.443,663 4.419,664 4.443,665 4.522,666 4.533,667 6.504,668 0.643,669 373.88,670 3.367,671 4.905,672 5.759,673 6.64,674 7.508,675 8.394,676 9.267,677 10.155,678 11.031,679 11.92,680 10.9,684 2,685 1,690 2,694 2,695 5,696 2,700 7,702 17,711 2,712 1,716 2,717 1,718 46,719 17,720 2,721 28,723 48,724 18,725 14,726 7,727 5,729 3,730 4,731 1,739 1,741 14,742 4,753 1,754 1,757 20,758 7,759 5,760 8,761 1,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 2,807 1,810 26,811 2,816 2,817 1,818 2,828 1,829 4.3,834 2,836 14,837 8.71,838 5.889,839 2.416,840 3.393,841 1.47,842 0.985,843 5.784,844 10.619,845 3.624,846 4.277,847 4.905,848 5.507,849 6.064,850 6.32,851 6.562,852 6.848,853 7.175,854 7.18,855 1,856 43,857 9.515,859 3.935,860 7.793,861 17.904,863 14.121,865 2.293,866 59.611,869 1,870 176.567,871 102.661,872 117.376,873 39.149,874 22,877 102.661,878 237.715,879 117.376,880 21.766,881 4.64,882 113.176,883 51.582,884 46.647,885 4.227,886 176.567,887 39.149,888 176.567,889 220.038,890 22,891 39.149,893 153.024,894 45.542,897 8.683,898 159.772,899 90.73,901 176.567,902 139.376,903 141.81,906 176.567,907 33.514,908 69.147,909 18.011,910 160.514,911 176.567,912 139.376,913 141.81,915 0.578,916 0.354,917 0.194,918 0.101,919 18,920 9,921 0.125,922 6,923 1,924 1.125,925 3.733,926 212.775,927 0.125,928 16,929 122.211,933 18.668,934 8.055,935 4.019,936 1.199,937 139.376,938 9.366,939 8.127,943 4.232,945 83.805,946 457.753,947 36.5,956 46.556,957 52.176,958 0.311,959 0.693,960 0.822,961 0.892,962 0.907,963 0.931,964 4.854,965 1.373,966 5.753,967 4.352,968 4.369,969 4.963,970 1.454,971 6.578,972 4.241,973 6.083,974 1.072,975 7.326,976 3.567,977 4.007,978 4.913,980 7.526,981 3.807,982 7.411,983 0.77,984 8.998,985 2.457,986 5.979,987 7.263,988 1.175,989 10.625,990 5.754,991 8.778,992 0.381,993 10.728,994 1.362,995 6.415,996 8.015,998 12.392,999 6.113,1000 10.175,1001 0.273,1002 12.495,1003 0.765,1004 7.87,1005 9.868,1006 0.966,1007 15.033,1008 7.553,1009 11.594,1010 -0.105,1011 14.289,1012 0.425,1013 8.682,1014 11.007,1016 17.159,1017 8.291,1018 13.031,1019 -0.222,1020 16.103,1021 -0.273,1022 9.937,1023 12.659,1024 0.788,1025 19.645,1026 9.524,1027 3.212,1028 -0.458,1029 17.933,1030 -0.481,1031 10.928,1032 13.993,1034 21.928,1035 10.448,1036 2.903,1037 11.23,1038 19.776,1039 -1.073,1040 12.107,1041 15.562,1042 0.634,1043 24.36,1044 11.594,1045 2.543,1046 9.167,1047 21.63,1048 4.616,1049 13.181,1050 16.991,1052 26.715,1053 12.607,1054 2.242,1055 7.853,1056 23.493,1057 3.91,1058 14.334,1059 18.528,1060 0.504,1061 29.13,1062 13.718,1063 2.059,1064 6.493,1065 25.364,1066 3.41,1067 15.448,1068 20.004,1070 31.516,1071 14.773,1072 1.985,1073 5.917,1074 27.242,1075 2.861,1076 16.594,1077 21.529,1078 0.395,1079 33.927,1080 15.872,1081 1.686,1082 5.795,1083 29.125,1084 2.855,1085 17.727,1086 23.029,1088 36.328,1089 16.948,1090 7760,1091 13758,1092 18.205,1093 30.887,1094 40.994,1095 42.366,1096 43.403,1097 41.073,1098 40.998,1099 54.234,1100 4.24,1101 118.763,1102 38.081,1103 5.533,1104 5.411,1105 6.403,1106 5.233,1107 5.212,1108 7.616,1109 1.72,1110 18.464,1111 5.037,1112 14.777,1113 1.464,1114 1.513,1115 1.55,1116 1.467,1117 1.464,1118 1.937,1119 0.151,1120 4.242,1121 1.36,1122 4.074,1123 4.106,1124 4.134,1125 3.986,1126 5.316,1127 3.995,1128 3.937,1129 3.955,1130 3.887,1131 3.856,1132 4.99,1133 3.859,1134 3.562,1135 3.634,1136 3.585,1137 3.358,1138 4.915,1139 3.378,1140 3.37,1141 3.433,1142 3.343,1143 3.189,1144 4.85,1145 3.194,1146 3.302,1147 3.358,1148 3.214,1149 3.013,1150 4.602,1151 3.034,1152 3.142,1153 3.236,1154 3.142,1155 2.941,1156 4.441,1157 2.947,1158 3.134,1159 3.231,1160 2.923,1161 2.866,1162 4.249,1163 2.854,1164 2.921,1165 3.004,1166 2.894,1167 2.716,1168 4.135,1169 2.724,1170 0.166,1171 0.122,1172 0.244,1173 0.149,1174 0.115,1175 4.654,1176 0.165,1177 3.411,1178 0.031,1179 6.835,1180 0.401,1181 4.161,1182 0.108,1183 3.212,1184 4.616,1185 0.86,1186 11.23,1187 3.037,1188 2.006,1189 1.983,1190 2.053,1191 2.119,1192 1.248,1193 2.103,1194 1.905,1195 1.887,1196 2.002,1197 2.012,1198 1.161,1199 2.011,1200 1.497,1201 1.43,1202 1.711,1203 1.737,1204 0.877,1205 1.729,1206 1.324,1207 1.263,1208 1.591,1209 1.574,1210 0.586,1211 1.575,1212 1.229,1213 1.166,1214 1.536,1215 1.535,1216 0.556,1217 1.543,1218 1.127,1219 1.033,1220 1.49,1221 1.423,1222 0.43,1223 1.46,1224 1.045,1225 0.979,1226 1.279,1227 1.384,1228 0.269,1229 1.367,1230 0.885,1231 0.803,1232 1.163,1233 1.133,1234 0.124,1235 1.149,1236 4.043,1238 5.361,1240 6.889,1242 8.518,1244 10.202,1246 3.283,1247 6.479,1250 11.568,1252 1.368,1253 3.314,1254 10.676,1262 29.579,1263 78.977,1264 176.036,1265 208.964,1266 226.574,1267 230.574,1268 236.574,1269 42.412,1270 7.226,1271 108.31,1272 108.31,1273 18,1274 12.452,1275 4.17,1276 3.248,1277 44.515,1278 104,1279 90,1280 0.212,1281 188.13,1282 316.85,1283 450.797,1284 13444,1285 2.2,1286 18.681,1287 0.719,1288 0.588,1289 19.181,1290 15.3,1291 12.528,1292 0.447,1293 0.299,1294 7.868,1295 11.673,1296 7.609,1297 6.344,1298 12.817,1299 8.369,1300 11.034,1301 0.283,1302 0.154,1303 11.368,1304 6.021,1305 9.44,1306 0.182,1307 0.085,1308 9.868,1309 4.436,1310 8.025,1311 0.12,1312 0.046,1313 8.492,1314 3.1,1315 5.977,1316 0.074,1317 0.024,1318 6.211,1319 1.94,1320 0.337,1321 82.425,1322 0.234,1323 25.19,1324 0.572,1325 134,1326 417.922,1327 163.38,1328 432.029,1329 583.27,1330 404,1331 158,1332 408.968,1333 185.129,1334 426.536,1335 621.59,1336 398,1337 5.678}
{0 CHEMBL14201,1 1.743,2 9.375,3 1.213,4 1.472,5 87.744,6 7.961,7 0.48,8 3.86,9 3.967,10 3.442,11 3.237,12 5.149,13 3.284,14 4.325,15 4.478,16 3.764,17 3.552,18 5.659,19 3.587,20 4.444,21 4.566,22 3.857,23 3.701,24 5.776,25 3.715,26 4.576,27 4.758,28 3.811,29 3.774,30 5.733,31 3.744,32 4.689,33 4.878,34 3.76,35 3.787,36 5.801,37 3.754,38 4.656,39 4.848,40 3.744,41 3.732,42 5.858,43 3.692,44 4.679,45 4.93,46 3.753,47 3.617,48 5.899,49 3.569,50 4.484,51 4.68,52 3.483,53 3.407,54 5.792,55 3.392,56 0.207,57 0.589,58 8.164,59 3.279,60 21.287,61 4.066,62 0.599,63 0.823,64 15.797,65 5.402,66 62.491,67 6.673,68 0.779,69 0.959,70 16.53,71 5.758,72 62.62,73 7.332,74 0.593,75 1.047,76 19.955,77 7.076,78 50.295,79 9.551,80 0.825,81 1.054,82 24.473,83 7.461,84 60.914,85 9.91,86 0.821,87 1.019,88 23.234,89 7.123,90 74.206,91 9.891,92 0.966,93 0.915,94 27.066,95 7.426,96 82.492,97 11.439,98 0.857,99 0.762,100 21.136,101 5.19,102 94.006,103 7.233,104 48,105 34,106 0.309,107 0.679,108 0.797,109 0.831,110 0.848,111 0.882,112 3.228,113 0.829,114 -1.99,115 -2.04,116 -2.04,119 35.7,121 1,124 2,125 1,139 2,140 2,141 3,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 4,169 1,170 4,171 1,172 3,173 4,175 1,178 4,180 1,181 3,182 6,185 1,187 1,189 2,191 1,192 1,193 7,195 1,196 1,197 1,198 2,200 2,202 1,204 2,205 1,207 8,208 1,212 4,216 1,218 3,220 1,221 2,222 1,224 1,226 2,230 2,231 1,233 5,234 2,236 2,237 3,239 4,242 1,243 2,245 2,246 1,248 1,249 1,251 1,261 2,262 2,263 2,266 1,271 1,273 826,274 15.826,275 15.826,276 15.826,277 15.826,278 15.826,279 14.065,280 23.516,281 9.283,282 16.461,283 12.197,284 12.197,285 12.197,286 12.197,287 12.197,288 9.422,289 31.392,290 4.241,291 13.041,292 3.649,293 1.559,294 0.893,295 0.703,296 0.607,297 0.417,298 3.887,301 1,302 1,303 453,304 3.391,307 170.452,314 1.375,315 33.907,318 1,319 0.83,320 1,321 1,322 0.5,323 0.83,324 0.5,325 0.81,326 55,327 225,328 4.432,329 3.633,330 6.528,331 4.027,332 3.077,333 4.114,334 2.423,335 10.29,336 2.928,337 4.228,338 3.377,339 6.088,340 3.81,341 2.856,342 3.875,343 0.922,344 8.842,345 2.721,346 3.606,347 3.077,348 5.281,349 3.246,350 2.289,351 2.935,352 0.86,353 6.716,354 2.181,355 3.559,356 2.568,357 5.219,358 3.205,359 2.248,360 2.747,361 0.86,362 6.277,363 2.138,364 3.362,365 2.537,366 4.921,367 2.939,368 2,369 2.662,370 0.68,371 5.65,372 1.868,373 3.322,374 2.182,375 4.628,376 2.923,377 1.982,378 2.549,380 5.049,381 1.838,382 2.823,383 1.984,384 4.146,385 2.353,386 1.422,387 1.952,389 3.673,390 1.32,391 2.218,392 1.559,393 3.78,394 1.972,395 1.136,396 1.195,398 2.511,399 0.942,400 1.723,401 1.287,402 3.04,403 1.405,404 0.503,405 0.577,407 1.113,408 0.444,409 1.609,410 0.978,411 2.925,412 1.315,413 0.413,414 0.472,415 0.806,416 0.367,417 1.441,418 0.626,419 2.617,420 1.161,421 0.283,422 0.321,423 0.431,424 0.248,425 0.971,426 0.513,427 2.38,428 0.64,429 -0.288,430 -0.341,431 -0.567,432 -0.263,433 0.799,434 0.199,435 2.359,436 0.394,437 -0.514,438 -0.621,439 -1.242,440 -0.466,441 0.773,442 -0.156,443 2.304,444 0.381,445 -0.569,446 -0.686,448 -1.546,449 -0.527,450 0.506,451 -0.313,452 1.933,453 0.174,454 -0.747,455 -0.878,457 -1.741,458 -0.677,459 10.767,460 0.449,461 0.647,462 0.027,463 32,464 1.333,465 16,466 0.667,467 16,468 0.667,469 17.13,470 0.714,471 27.633,472 0.658,473 25.501,474 1.063,475 6.863,476 0.286,477 4.576,478 0.191,479 0.229,481 0.372,485 1.002,486 1.404,487 0.79,488 1.212,489 0.957,490 0.963,491 1.045,492 0.814,493 0.761,494 0.834,495 0.568,496 0.745,497 0.921,498 1.232,499 1.026,500 1.136,501 0.97,502 1.112,503 0.766,504 1.124,505 0.965,506 1.245,507 0.538,508 1.17,509 1.266,510 1.038,511 1.158,512 1.055,513 0.783,514 1.081,515 0.969,516 1.185,517 1.098,518 1.235,519 0.912,520 1.21,521 0.508,522 0.88,523 0.587,524 0.922,525 0.537,526 0.816,527 1.448,528 1.101,529 1.244,530 1.033,531 1.851,532 1.094,533 6,534 0.074,535 2.667,536 1.813,537 1.618,538 0.729,539 0.793,540 0.444,541 0.238,542 0.222,543 5421,544 20402,545 1.925,546 42.9,547 2,548 10,550 1,551 5,555 1.674,556 1.756,557 3.206,558 2.743,559 1,560 1,562 1,564 73.206,565 1.743,566 3.833,567 4.499,568 4.69,569 4.785,570 4.975,571 2.663,572 4.002,573 4.554,574 3.352,575 925.217,576 7.89,577 10927.7,578 1,579 1,582 226.477,583 1.555,584 4.483,585 0.24,586 0.007,587 0.078,588 0.05,589 0.048,590 0.023,591 0.026,592 0.015,593 0.011,594 0.014,595 0.512,596 0.17,597 1,598 1.448,599 113.448,600 -0.179,601 -0.121,602 -0.001,603 -0.065,604 -0.206,605 0.02,606 -0.019,607 0.278,608 0.154,609 0.226,610 0.172,611 0.23,612 0.085,613 -0.066,614 -0.165,615 -0.046,616 -0.075,617 -0.153,618 0.005,619 -0.023,620 -0.085,621 -0.172,622 0.007,623 -0.153,624 -0.265,625 -0.058,626 -0.205,627 -0.025,628 -0.12,629 -0.087,630 -0.038,631 -0.187,632 -0.155,633 -0.211,634 -0.05,635 -0.213,636 0.385,637 -0.039,638 0.45,639 0.05,640 0.324,641 0.227,642 -0.229,643 -0.207,644 -0.213,645 -0.102,646 -0.331,647 -0.162,648 2.766,649 3.737,650 0.5,651 20.486,652 1.029,653 1.142,654 0.762,655 0.581,656 0.634,657 3.258,658 3.555,659 3.761,660 3.989,661 4.19,662 4.205,663 4.277,664 4.29,665 4.344,666 4.248,667 5.696,668 0.627,669 334.37,670 3.258,671 4.779,672 5.602,673 6.469,674 7.317,675 8.188,676 9.046,677 9.92,678 10.784,679 11.658,680 9.5,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 3,718 42,719 13,720 1,721 25,723 43,724 15,725 10,726 4,727 2,729 2,730 2,739 1,741 11,742 4,744 1,748 1,751 1,753 1,754 1,757 18,758 9,759 5,760 9,764 4,769 1,770 5,776 1,781 2,792 1,800 1,802 2,806 2,810 24,811 2,815 1,816 2,818 3,829 11.9,831 1,832 1,834 3,836 13.667,837 7.933,838 5.5,839 1.996,840 2.31,841 1.349,842 0.91,843 6.056,844 8.926,845 3.497,846 4.078,847 4.57,848 5.094,849 5.61,850 5.759,851 5.997,852 6.313,853 6.674,854 6.883,855 1,856 36,857 8.78,859 3.591,860 8.16,861 15.91,863 12.004,865 2.66,866 63.833,870 153.024,871 84.131,872 99.365,874 100.828,877 84.131,878 253.852,879 99.365,880 21.766,881 7.127,882 84.747,883 114.08,884 64.149,885 4.227,886 141.253,888 153.024,889 183.497,890 100.828,893 153.024,894 100.828,897 18.073,898 131.852,899 33.571,901 153.024,902 200.193,903 84.131,906 153.024,907 34.365,908 49.766,910 200.193,911 153.024,912 200.193,913 84.131,915 0.572,916 0.327,917 0.176,918 0.1,919 14,920 8,921 0.163,922 7,924 1,925 3.447,926 184.615,928 12,929 110.039,933 18.097,934 8.031,935 4.63,937 200.193,938 4.925,939 7.824,943 2.756,945 108.478,946 437.349,947 32,951 10.737,954 -1.099,956 43.229,957 47.947,958 0.323,959 0.711,960 0.834,961 0.87,962 0.887,963 0.923,964 4.718,965 1.136,966 5.595,967 3.673,968 4.234,969 4.762,970 2.778,971 6.382,972 4.112,973 5.931,974 0.503,975 7.146,976 2.511,977 3.892,978 4.677,979 2.243,980 7.261,981 3.747,982 7.241,983 0.413,984 8.793,985 1.113,986 5.808,987 6.94,988 3.891,989 10.312,990 5.591,991 8.583,992 0.283,993 10.493,994 0.806,995 6.217,996 7.587,997 4.238,998 11.981,999 5.963,1000 9.952,1001 -0.288,1002 12.229,1003 0.431,1004 7.645,1005 9.39,1006 5.445,1007 14.572,1008 7.34,1009 11.338,1010 -0.514,1011 13.989,1012 -0.567,1013 8.411,1014 10.387,1015 6.111,1016 16.594,1017 8.057,1018 12.74,1019 -0.569,1020 15.767,1021 -1.242,1022 9.643,1023 11.994,1024 7.139,1025 19.016,1026 9.246,1027 3.077,1028 -0.747,1029 17.561,1030 -1.546,1031 10.586,1032 13.175,1033 7.928,1034 21.199,1035 10.135,1036 2.856,1037 10.29,1038 19.366,1039 -1.741,1040 11.738,1041 14.685,1042 8.878,1043 23.556,1044 11.245,1045 2.289,1046 8.842,1047 21.182,1048 4.114,1049 12.766,1050 15.965,1051 9.719,1052 25.812,1053 12.219,1054 2.248,1055 6.716,1056 23.005,1057 3.875,1058 13.887,1059 17.424,1060 10.635,1061 28.144,1062 13.296,1063 2,1064 6.277,1065 24.835,1066 2.935,1067 14.956,1068 18.758,1069 11.499,1070 30.434,1071 14.312,1072 1.982,1073 5.65,1074 26.671,1075 2.747,1076 16.066,1077 20.19,1078 12.399,1079 32.758,1080 15.376,1081 1.422,1082 5.049,1083 28.512,1084 2.662,1085 17.155,1086 21.554,1087 13.274,1088 35.065,1089 16.414,1090 5631,1091 11023,1092 15.72,1093 26.625,1094 36.487,1095 37.833,1096 38.711,1097 36.295,1098 36.418,1099 46.801,1100 11.49,1101 102.719,1102 33.993,1103 5.257,1104 5.633,1105 6.066,1106 5.096,1107 5.077,1108 7.114,1109 4.104,1110 17.227,1111 4.928,1112 15.327,1113 1.459,1114 1.513,1115 1.548,1116 1.452,1117 1.457,1118 1.872,1119 0.46,1120 4.109,1121 1.36,1122 3.991,1123 4.015,1124 3.95,1125 3.893,1126 7.474,1127 3.903,1128 3.815,1129 3.853,1130 3.783,1131 3.646,1132 6.351,1133 3.675,1134 3.533,1135 3.536,1136 3.463,1137 3.255,1138 5.291,1139 3.301,1140 3.318,1141 3.377,1142 3.193,1143 3.075,1144 4.981,1145 3.098,1146 3.244,1147 3.31,1148 3.063,1149 2.942,1150 4.954,1151 2.954,1152 3.119,1153 3.22,1154 2.963,1155 2.85,1156 4.536,1157 2.861,1158 2.977,1159 3.086,1160 2.821,1161 2.658,1162 4.467,1163 2.684,1164 2.848,1165 2.9,1166 2.711,1167 2.608,1168 4.423,1169 2.614,1170 0.177,1171 0.145,1172 0.261,1173 0.161,1174 0.123,1175 4.432,1176 0.165,1177 3.633,1178 0.097,1179 6.528,1180 0.412,1181 4.027,1182 0.117,1183 3.077,1184 4.114,1185 2.423,1186 10.29,1187 2.928,1188 1.928,1189 1.911,1190 2.015,1191 2.05,1192 1.208,1193 2.037,1194 1.728,1195 1.691,1196 1.808,1197 1.926,1198 0.873,1199 1.892,1200 1.387,1201 1.373,1202 1.593,1203 1.693,1204 0.695,1205 1.649,1206 1.247,1207 1.187,1208 1.574,1209 1.539,1210 0.574,1211 1.549,1212 1.185,1213 1.108,1214 1.557,1215 1.519,1216 0.57,1217 1.533,1218 1.058,1219 0.971,1220 1.334,1221 1.383,1222 0.355,1223 1.377,1224 0.882,1225 0.771,1226 1.217,1227 1.256,1228 0.091,1229 1.261,1230 0.77,1231 0.716,1232 1.056,1233 1.078,1235 1.063,1236 3.932,1238 5.231,1240 6.723,1242 8.311,1244 9.951,1246 2.917,1250 11.318,1251 8.79,1252 -0.119,1254 15.785,1262 26.347,1263 73.206,1264 160.993,1265 188.968,1266 196.968,1267 200.968,1268 208.968,1269 50.997,1270 6.616,1271 142.81,1272 142.81,1273 12,1274 12.2,1275 3.807,1276 3,1277 48.133,1278 81,1279 82,1280 0.295,1281 166.535,1282 291.01,1283 398.106,1284 5400,1286 17.69,1287 0.737,1288 0.553,1289 17.69,1290 13.276,1291 11.439,1292 0.458,1293 0.276,1294 6.709,1295 10.66,1296 6.513,1297 5.45,1298 11.439,1299 6.906,1300 10.2,1301 0.3,1302 0.142,1303 10.2,1304 4.827,1305 7.839,1306 0.187,1307 0.075,1308 7.839,1309 3.167,1310 6.401,1311 0.121,1312 0.04,1313 6.401,1314 2.123,1315 5.085,1316 0.078,1317 0.022,1318 5.085,1319 1.429,1320 0.454,1321 74.368,1322 0.252,1323 23.217,1324 0.839,1325 118,1326 467.007,1327 137.778,1328 432.873,1329 569.09,1330 402,1331 135,1332 399.184,1333 153.727,1334 401.997,1335 578.36,1336 371,1337 4.155}
{0 CHEMBL142081,1 1.763,2 8.619,3 2.874,4 8.26,5 85.393,6 8.806,7 0.739,8 3.662,9 3.777,10 3.417,11 3.242,12 4.905,13 3.22,14 4.092,15 4.235,16 3.809,17 3.588,18 5.332,19 3.544,20 4.227,21 4.384,22 3.896,23 3.69,24 5.43,25 3.624,26 4.198,27 4.353,28 3.739,29 3.641,30 5.393,31 3.54,32 4.236,33 4.428,34 3.596,35 3.559,36 5.388,37 3.445,38 4.171,39 4.415,40 3.272,41 3.407,42 5.137,43 3.284,44 3.957,45 4.18,46 3.214,47 3.223,48 4.986,49 3.148,50 3.857,51 4.062,52 3.097,53 3.087,54 5.04,55 3.011,56 0.078,57 0.56,58 5.745,59 2.78,60 10.864,61 3.004,62 0.23,63 0.843,64 11.382,65 4.824,66 21.174,67 5.33,68 0.267,69 0.971,70 15.758,71 5.781,72 22.277,73 5.892,74 0.209,75 0.923,76 15.304,77 6.05,78 21.7,79 6.298,80 0.3,81 0.929,82 18.63,83 5.806,84 28.885,85 6.572,86 0.222,87 0.77,88 16.898,89 5.852,90 24.31,91 7.293,92 0.163,93 0.635,94 11.338,95 4.138,96 16.255,97 5.413,98 0.241,99 0.581,100 11.019,101 3.818,102 20.04,103 4.759,104 11,105 32,106 0.322,107 0.647,108 0.767,109 0.871,110 0.882,111 0.882,112 3.103,113 0.912,114 -3.6,115 -3.58,116 -3.41,119 41.2,124 1,139 6,141 2,143 2,144 2,147 1,157 2,158 2,159 2,166 4,169 1,170 4,172 3,173 3,178 4,181 2,182 5,184 1,185 1,189 4,193 3,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,206 1,207 6,209 1,210 1,212 3,215 3,218 3,221 2,229 3,234 2,239 2,241 1,243 2,245 2,246 4,248 1,249 1,251 2,256 2,260 2,265 2,270 2,273 518,274 14.248,275 14.248,276 14.248,277 14.248,278 14.248,279 12.16,280 12.983,281 8.369,282 14.834,283 11.303,284 11.303,285 11.303,286 11.303,287 11.303,288 8.171,289 13.222,290 3.903,291 12.228,292 3.324,293 1.545,294 0.89,295 0.316,296 0.257,297 0.257,298 3.785,300 1,301 1,302 1,303 387,304 2.345,307 163.409,311 84.233,314 1.388,315 17.558,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 45.5,327 181,328 4.543,329 4.574,330 6.503,331 4.03,332 3.085,333 4.492,334 2.95,335 10.183,336 2.919,337 4.209,338 3.288,339 6.156,340 3.775,341 2.856,342 3.815,343 0.86,344 9.104,345 2.615,346 3.737,347 3.018,348 5.296,349 3.253,350 2.352,351 3.209,353 6.805,354 2.109,355 3.428,356 2.439,357 5.062,358 2.959,359 2.037,360 2.811,362 5.803,363 1.881,364 3.366,365 2.208,366 4.973,367 2.881,368 1.957,369 2.691,371 5.757,372 1.784,373 2.917,374 2.058,375 4.311,376 2.472,377 1.53,378 2.089,380 4.001,381 1.439,382 2.848,383 1.607,384 3.709,385 2.376,386 1.413,387 1.985,389 3.022,390 1.341,391 2.452,392 1.061,393 3.621,394 1.953,395 1.006,396 1.431,398 2.565,399 0.949,400 1.766,401 0.944,402 3.024,403 1.426,404 0.546,405 0.644,407 1.011,408 0.474,409 1.516,410 0.879,411 2.725,412 1.1,413 0.223,414 0.276,415 0.474,416 0.192,417 1.084,418 0.516,419 2.628,420 0.672,421 -0.211,422 -0.264,423 -0.469,424 -0.184,425 0.956,426 -0.14,427 2.501,428 0.469,429 -0.449,430 -0.578,431 -1.15,432 -0.41,433 0.634,434 -0.306,435 2.23,436 0.191,437 -0.72,438 -0.889,439 -1.649,440 -0.637,441 0.571,442 -0.487,443 2,444 0.132,445 -0.815,446 -1.099,448 -2.069,449 -0.77,450 0.477,451 -0.727,452 1.726,453 0.086,454 -0.877,455 -1.21,457 -2.367,458 -0.831,459 10.167,460 0.484,461 0.503,462 0.024,463 32,464 1.524,465 18,466 0.857,467 14,468 0.667,469 12.724,470 0.606,471 21.633,472 0.636,473 21.007,474 1,475 6.348,476 0.302,477 3.821,478 0.182,479 0.128,481 0.344,485 1.07,486 1.106,487 0.726,488 0.803,489 1.3,490 0.756,491 0.969,492 0.91,493 0.745,494 0.829,495 0.642,496 0.752,497 1.063,498 0.975,499 1.144,500 1.069,501 0.879,502 0.881,503 1.048,504 1.203,505 1.356,506 1.318,507 0.818,508 1.175,509 0.952,510 1.174,511 1.458,512 1.429,513 1.17,514 1.258,515 0.886,516 0.875,517 0.964,518 0.951,519 0.854,520 0.974,521 0.898,522 1.006,523 0.674,524 0.873,525 0.794,526 0.947,527 0.661,528 1.168,529 1.027,530 1.168,531 0.71,532 1.163,533 4.5,534 0.054,535 2.222,536 1.438,537 1.48,538 0.361,539 0.403,540 0.299,541 0.164,542 0.124,543 4243,544 13055,545 2.074,546 38.2,548 9,551 4,555 1.632,556 1.938,557 3.105,558 1.968,560 1,562 1,564 59.955,565 1.763,566 3.542,567 4.197,568 4.771,569 4.83,570 4.83,571 2.553,572 4.202,573 4.367,574 3.235,575 679.404,576 7.478,577 7119.5,578 1,579 1,580 1,581 1,582 172.974,583 1.418,584 4.322,585 0.196,586 0.011,587 0.069,588 0.044,589 0.053,590 0.016,591 0.021,592 0.017,593 0.01,594 0.011,595 0.447,596 0.5,597 1,598 0.819,599 94.279,600 -0.193,601 0.001,602 0.031,603 0.097,604 -0.359,605 0.082,606 0.102,607 0.139,608 0.185,609 0.164,610 0.184,611 0.149,612 -0.042,613 0.135,614 -0.004,615 0.039,616 -0.016,617 0.031,618 -0.104,619 -0.14,620 -0.204,621 -0.179,622 0.071,623 -0.229,624 -0.034,625 -0.137,626 -0.275,627 -0.308,628 -0.152,629 -0.284,630 -0.054,631 0.001,632 0.01,633 0.03,634 -0.043,635 0.084,636 -0.013,637 -0.128,638 0.12,639 -0.01,640 0.007,641 0.054,642 0.36,643 -0.225,644 -0.127,645 -0.255,646 0.27,647 -0.205,648 1.521,649 1.848,650 0.762,651 14.889,652 1.013,653 1.126,654 2.374,655 5.636,656 0.711,657 3.178,658 3.497,659 3.761,660 4.025,661 4.248,662 4.234,663 4.317,664 4.419,665 4.543,666 4.466,667 5.207,668 0.68,669 299.39,670 3.178,671 4.71,672 5.557,673 6.435,674 7.298,675 8.178,676 9.047,677 9.929,678 10.801,679 11.682,680 14.7,684 2,690 3,694 2,695 6,696 3,700 5,702 17,711 2,716 1,718 34,719 17,720 1,721 23,723 36,724 14,725 13,726 2,727 4,729 3,730 4,741 13,742 1,753 1,754 1,757 13,758 6,759 4,760 7,761 1,764 5,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,803 1,804 1,806 1,810 21,811 2,818 1,819 1,829 2.9,834 1,836 10.833,837 6.35,838 4.667,839 1.724,840 3.427,841 1.5,842 1.014,843 3.816,844 10.281,845 3.481,846 4.143,847 4.764,848 5.383,849 5.979,850 6.218,851 6.606,852 7.023,853 7.468,854 7.582,855 0.833,856 33,857 7.661,859 3.194,860 7.786,861 14.377,863 11.385,865 2.286,866 48,870 105.94,871 116.391,872 116.151,874 11,876 32.22,877 84.172,878 116.94,879 116.151,880 10.883,882 122.652,883 50.357,884 22.082,885 5.349,886 138.159,888 105.94,889 200.323,890 11,891 32.22,893 105.94,894 11,897 6.187,898 143.779,899 50.357,900 32.22,901 105.94,902 127.151,903 116.391,906 105.94,907 48.651,908 67.741,910 127.151,911 105.94,912 127.151,913 116.391,915 0.578,916 0.344,917 0.192,918 0.103,919 16,920 7,921 0.083,922 3,923 1,924 1.125,925 3.316,926 161.509,927 0.125,928 16,929 92.239,930 1,933 13.922,934 5.756,935 2.865,936 1.175,937 127.151,938 11.439,939 12.529,943 2.978,945 65.794,946 349.482,947 31.5,956 34.447,957 38.282,958 0.347,959 0.696,960 0.825,961 0.938,962 0.949,963 0.949,964 4.694,965 1.006,966 5.541,967 3.022,968 4.174,969 4.828,970 2.99,971 6.344,972 4.023,973 5.923,974 0.546,975 7.094,976 2.565,977 3.761,978 4.691,980 7.209,981 3.521,982 7.241,983 0.223,984 8.744,985 1.011,986 5.759,987 7.118,988 5.034,989 10.298,990 5.466,991 8.596,992 -0.211,993 10.451,994 0.474,995 6.133,996 7.782,998 11.968,999 5.749,1000 9.979,1001 -0.449,1002 12.193,1003 -0.469,1004 7.614,1005 9.69,1006 7.185,1007 14.57,1008 7.192,1009 11.384,1010 -0.72,1011 13.96,1012 -1.15,1013 8.369,1014 10.758,1016 16.589,1017 7.864,1018 12.807,1019 -0.815,1020 15.745,1021 -1.649,1022 9.631,1023 12.437,1024 9.348,1025 19.01,1026 9.089,1027 3.085,1028 -0.877,1029 17.544,1030 -2.069,1031 10.573,1032 13.716,1034 21.185,1035 9.956,1036 2.856,1037 10.183,1038 19.354,1039 -2.367,1040 11.741,1041 15.288,1042 11.511,1043 23.534,1044 11.084,1045 2.352,1046 9.104,1047 21.173,1048 4.492,1049 12.771,1050 16.675,1052 25.778,1053 12.046,1054 2.037,1055 6.805,1056 22.999,1057 3.815,1058 13.902,1059 18.201,1060 13.675,1061 28.1,1062 13.132,1063 1.957,1064 5.803,1065 24.831,1066 3.209,1067 14.973,1068 19.642,1070 30.376,1071 14.142,1072 1.53,1073 5.757,1074 26.668,1075 2.811,1076 16.09,1077 21.148,1078 15.838,1079 32.688,1080 15.211,1081 1.413,1082 4.001,1083 28.509,1084 2.691,1085 17.181,1086 22.617,1088 34.98,1089 16.245,1090 4156,1091 7421,1092 15.315,1093 24.176,1094 34.175,1095 37.131,1096 35.224,1097 34.011,1098 34.012,1099 46.886,1100 7.62,1101 97.452,1102 31.408,1103 5.314,1104 6.574,1105 6.198,1106 5.169,1107 5.085,1108 7.492,1109 5.9,1110 17.077,1111 4.919,1112 9.789,1113 1.486,1114 1.614,1115 1.531,1116 1.479,1117 1.479,1118 2.039,1119 0.331,1120 4.237,1121 1.366,1122 4.043,1123 4.082,1124 4.125,1125 3.947,1126 5.323,1127 3.945,1128 3.877,1129 3.897,1130 3.897,1131 3.807,1132 4.988,1133 3.805,1134 3.443,1135 3.506,1136 3.523,1137 3.297,1138 4.863,1139 3.291,1140 3.249,1141 3.315,1142 3.129,1143 2.974,1144 4.75,1145 2.981,1146 3.115,1147 3.229,1148 3.062,1149 2.911,1150 4.385,1151 2.876,1152 2.922,1153 2.963,1154 3.001,1155 2.798,1156 4.196,1157 2.805,1158 2.775,1159 2.85,1160 2.606,1161 2.641,1162 3.906,1163 2.615,1164 2.656,1165 2.752,1166 2.515,1167 2.483,1168 3.644,1169 2.484,1170 0.198,1171 0.199,1172 0.283,1173 0.175,1174 0.134,1175 4.543,1176 0.195,1177 4.574,1178 0.128,1179 6.503,1180 0.443,1181 4.03,1182 0.127,1183 3.085,1184 4.492,1185 2.95,1186 10.183,1187 2.919,1188 1.96,1189 1.932,1190 1.995,1191 2.1,1192 1.096,1193 2.076,1194 1.856,1195 1.835,1196 1.953,1197 1.947,1198 1.02,1199 1.956,1200 1.364,1201 1.312,1202 1.573,1203 1.585,1204 0.574,1205 1.572,1206 1.197,1207 1.124,1208 1.49,1209 1.512,1210 0.435,1211 1.532,1212 1.006,1213 0.919,1214 1.273,1215 1.383,1216 0.208,1217 1.364,1218 0.904,1219 0.859,1220 1.127,1221 1.035,1222 0.129,1223 1.082,1224 0.791,1225 0.727,1226 0.964,1227 0.979,1229 1.006,1230 0.623,1231 0.553,1232 0.92,1233 0.904,1235 0.925,1236 3.85,1238 5.165,1240 6.688,1242 8.31,1244 9.979,1246 1.641,1250 11.42,1254 5.33,1255 1.488,1262 23.116,1263 59.955,1264 120.444,1265 142.709,1266 162.219,1267 164.219,1268 164.219,1269 25.284,1270 6.854,1271 99.94,1272 125.24,1273 18,1274 12.219,1275 4.17,1276 3.248,1277 32.194,1278 66,1279 58,1280 0.246,1281 148.562,1282 242.16,1283 354.252,1284 7934,1286 14.82,1287 0.706,1288 0.576,1289 15.173,1290 12.093,1291 10.169,1292 0.442,1293 0.304,1294 6.143,1295 9.301,1296 5.916,1297 4.938,1298 10.577,1299 6.994,1300 9.105,1301 0.285,1302 0.166,1303 9.774,1304 5.299,1305 7.594,1306 0.181,1307 0.091,1308 8.366,1309 3.838,1310 6.546,1311 0.119,1312 0.051,1313 7.391,1314 2.807,1315 5.235,1316 0.076,1317 0.028,1318 6.124,1319 1.941,1320 0.378,1321 68.014,1322 0.256,1323 20.639,1324 0.692,1325 110,1326 340.156,1327 147.495,1328 354.127,1329 491.37,1330 332,1331 129,1332 355.429,1333 162.335,1334 377.418,1335 552.11,1336 354,1337 6.638}
{0 CHEMBL142176,1 1.917,2 8.4,3 3.379,4 11.415,5 82.745,6 9.897,7 0.727,8 3.583,9 3.685,10 3.427,11 3.215,12 4.83,13 3.183,14 4.016,15 4.144,16 3.874,17 3.615,18 5.306,19 3.549,20 4.186,21 4.323,22 3.951,23 3.715,24 5.38,25 3.613,26 4.178,27 4.318,28 3.816,29 3.603,30 5.47,31 3.49,32 4.073,33 4.245,34 3.619,35 3.462,36 5.261,37 3.383,38 4.133,39 4.329,40 3.402,41 3.41,42 5.281,43 3.323,44 4.081,45 4.323,46 3.207,47 3.232,48 5.19,49 3.112,50 3.8,51 4.075,52 3.13,53 2.883,54 4.892,55 2.758,56 0.11,57 0.491,58 3.923,59 2.491,60 12.243,61 2.424,62 0.216,63 0.764,64 7.82,65 4.507,66 19.963,67 5.027,68 0.261,69 0.885,70 15.366,71 5.805,72 22.026,73 5.348,74 0.361,75 0.853,76 21.178,77 6.89,78 33.019,79 6.735,80 0.283,81 0.742,82 13.432,83 4.655,84 29.845,85 4.384,86 0.258,87 0.753,88 10.534,89 4.887,90 25.981,91 5.633,92 0.302,93 0.682,94 15.575,95 5.283,96 32.246,97 5.888,98 0.281,99 0.441,100 14.072,101 4.178,102 30.506,103 5.137,104 17,105 32,106 0.358,107 0.747,108 0.812,109 0.836,110 0.836,111 0.836,112 3.059,113 0.957,114 -4.75,115 -4.67,116 -4.39,119 41.9,120 1,139 4,140 1,141 3,144 1,147 1,149 1,155 1,157 1,158 1,159 1,166 2,169 1,170 2,172 2,173 4,175 3,178 7,187 1,189 8,193 3,196 2,197 3,198 2,200 2,201 2,204 1,207 1,212 3,215 5,221 4,226 6,229 2,231 2,234 4,239 2,241 1,251 3,254 1,256 2,260 2,265 3,270 2,273 480,274 13.171,275 13.171,276 13.171,277 13.171,278 13.171,279 11.115,280 11.569,281 7.585,282 13.731,283 10.855,284 10.855,285 10.855,286 10.855,287 10.855,288 7.814,289 9.579,290 3.636,291 11.885,292 3.037,293 0.952,294 0.605,295 0.476,296 0.476,297 0.476,298 3.733,299 1,300 1,301 1,302 1,303 360,304 2.236,306 39.127,307 106.318,310 74.176,314 1.14,315 19.533,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 43.333,327 168,328 4.707,329 4.593,330 6.909,331 4.215,332 3.271,333 4.68,334 2.95,335 11.585,336 3.084,337 4.024,338 3.396,339 5.728,340 3.547,341 2.634,342 3.623,344 7.727,345 2.38,346 3.819,347 2.913,348 5.364,349 3.35,350 2.433,351 3.309,353 6.879,354 2.225,355 3.453,356 2.792,357 5.137,358 2.959,359 2.081,360 2.827,362 6.032,363 1.858,364 3.39,365 2.281,366 4.948,367 2.919,368 2.022,369 2.689,371 5.708,372 1.716,373 3.187,374 2.159,375 4.865,376 2.709,377 1.779,378 2.45,380 5.344,381 1.624,382 2.537,383 1.838,384 4.211,385 2.102,386 1.21,387 1.548,389 3.414,390 1.061,391 2.5,392 1.065,393 3.414,394 2,395 1,396 1.5,398 2.275,399 1,400 1.487,401 1,402 3.091,403 1.064,404 0.23,405 0.278,407 0.592,408 0.178,409 1.143,410 0.596,411 2.728,412 0.658,413 -0.235,414 -0.303,415 -0.61,416 -0.189,417 1.01,418 -0.011,419 2.47,420 0.576,421 -0.286,422 -0.357,423 -0.713,424 -0.233,425 0.664,426 -0.056,427 2.306,428 0.308,429 -0.577,430 -0.671,431 -1.348,432 -0.503,433 0.5,434 -0.252,435 2,437 -0.89,438 -1.041,439 -2.308,440 -0.683,441 0.318,442 -0.609,443 1.851,444 -0.028,445 -1,446 -1.489,448 -3,449 -1,450 0.145,451 -1,452 1.659,453 -0.271,454 -1.158,455 -1.5,457 -3.099,458 -1.025,459 9.981,460 0.499,461 0.63,462 0.032,463 28.75,464 1.438,465 15.5,466 0.775,467 13.25,468 0.663,469 14.119,470 0.706,471 20.619,472 0.665,473 18.169,474 0.908,475 5.55,476 0.277,477 3.992,478 0.2,479 0.195,481 0.401,485 1.007,486 1.033,487 0.622,488 0.654,489 1.087,490 0.657,491 0.45,492 0.814,493 0.621,494 0.737,495 0.408,496 0.724,497 1.158,498 1.118,499 1.261,500 1.15,501 0.953,502 0.976,503 0.666,504 1.236,505 1.425,506 1.69,507 0.755,508 1.263,509 1.263,510 0.986,511 0.719,512 0.819,513 1.314,514 0.982,515 1.009,516 1.165,517 0.657,518 0.952,519 1.053,520 1.175,521 1.135,522 0.99,523 0.875,524 0.917,525 1.162,526 1.048,527 1.078,528 0.741,529 0.717,530 0.547,531 1.103,532 0.691,533 5,534 0.041,535 2.222,536 2.042,537 1.387,538 0.806,539 0.313,540 0.266,541 0.207,542 0.04,543 3545,544 12888,545 2.048,546 35.5,548 4,551 4,552 3,555 1.62,556 1.875,557 3.022,558 2.026,560 1,562 1,564 59.421,565 1.917,566 4.002,567 4.349,568 4.478,569 4.478,570 4.478,571 2.428,572 4.022,573 4.293,574 3.124,575 593.556,576 7.345,577 5876.03,578 1,579 1,580 1,581 1,582 153.58,583 1.522,584 4.231,585 0.227,586 0.021,587 0.069,588 0.066,589 0.051,590 0.035,591 0.016,592 0.018,593 0.019,594 0.007,595 0.529,596 0.17,597 1,598 0.68,599 87.24,600 -0.23,601 0.061,602 -0.011,603 0.165,604 -0.288,605 0.118,606 0.275,607 0.254,608 0.144,609 0.183,610 0.241,611 0.141,612 -0.262,613 -0.019,614 -0.164,615 -0.032,616 -0.172,617 -0.068,618 0.297,619 -0.19,620 -0.235,621 -0.437,622 0.246,623 -0.272,624 -0.3,625 0.037,626 -0.03,627 0.048,628 -0.271,629 -0.103,630 -0.13,631 -0.26,632 -0.044,633 -0.159,634 -0.104,635 -0.23,636 -0.168,637 -0.087,638 -0.023,639 -0.006,640 -0.14,641 -0.009,642 0.062,643 0.037,644 0.379,645 0.372,646 0.047,647 0.461,648 1.784,649 3.983,650 0.75,651 13,652 1.022,653 1.12,654 3.525,655 12.422,656 0.743,657 3.135,658 3.497,659 3.761,660 4.078,661 4.29,662 4.331,663 4.357,664 4.477,665 4.419,666 4.263,667 4.813,668 0.707,669 306.8,670 3.135,671 4.691,672 5.549,673 6.45,674 7.331,675 8.238,676 9.128,677 10.038,678 10.934,679 11.846,680 12.9,684 1,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 1,715 1,717 1,718 31,719 16,720 1,721 22,723 33,724 13,725 12,726 2,727 4,729 3,730 4,731 1,734 1,741 12,742 1,753 1,754 1,757 11,758 4,759 4,760 7,761 2,764 4,769 0.667,770 1,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 1,807 1,810 20,811 1,815 1,819 1,828 1,829 3.2,831 1,836 10.667,837 5.826,838 4.278,839 1.633,840 3.128,841 1.464,842 0.999,843 3.498,844 9.874,845 3.434,846 4.139,847 4.768,848 5.43,849 5.968,850 6.261,851 6.604,852 7.04,853 7.199,854 7.361,855 0.833,856 31,857 7.316,859 3.136,860 7.889,861 13.659,863 11.137,865 2.389,866 47.778,870 82.398,871 94.496,872 83.254,873 39.149,874 42.683,876 32.22,877 62.276,878 164.23,879 83.254,880 8.825,882 70.802,883 77.97,884 25.961,885 4.656,886 114.617,887 39.149,888 82.398,889 145.53,890 42.683,891 71.368,893 82.398,894 42.683,897 29.225,898 82.734,899 72.72,900 32.22,901 82.398,902 125.937,903 133.645,906 82.398,907 47.766,908 46.73,909 16.786,910 148.3,911 82.398,912 125.937,913 133.645,915 0.595,916 0.342,917 0.191,918 0.109,919 17,920 8,921 0.061,922 2,923 1,924 1.133,925 3.172,926 154.702,927 0.133,928 15,929 82.439,930 1,933 13.55,934 5.163,935 2.598,936 1.112,937 109.152,938 7.478,939 7.89,940 3.102,943 3.39,945 92.366,946 341.979,947 30,956 31.669,957 34.727,958 0.387,959 0.808,960 0.878,961 0.904,962 0.904,963 0.904,964 4.673,965 1,966 5.565,967 3.414,968 4.174,969 4.824,970 2.913,971 6.405,972 3.999,973 5.93,974 0.23,975 7.143,976 2.275,977 3.892,978 4.808,980 7.349,981 3.604,982 7.268,983 -0.235,984 8.817,985 0.592,986 5.796,987 7.15,988 5.027,989 10.479,990 5.477,991 8.641,992 -0.286,993 10.547,994 -0.61,995 6.275,996 7.927,998 12.292,999 5.868,1000 10.044,1001 -0.577,1002 12.316,1003 -0.713,1004 7.713,1005 9.786,1006 7.185,1007 14.973,1008 7.277,1009 11.469,1010 -0.89,1011 14.113,1012 -1.348,1013 8.561,1014 10.959,1016 17.176,1017 8.056,1018 12.915,1019 -1,1020 15.935,1021 -2.308,1022 9.822,1023 12.622,1024 9.348,1025 19.703,1026 9.282,1027 3.271,1028 -1.158,1029 17.776,1030 -3,1031 10.849,1032 13.994,1034 22.062,1035 10.25,1036 2.634,1037 11.585,1038 19.634,1039 -3.099,1040 12.047,1041 15.577,1042 11.511,1043 24.537,1044 11.405,1045 2.433,1046 7.727,1047 21.507,1048 4.68,1049 13.157,1050 17.042,1052 26.954,1053 12.459,1054 2.081,1055 6.879,1056 23.391,1057 3.623,1058 14.336,1059 18.597,1060 13.675,1061 29.412,1062 13.591,1063 2.022,1064 6.032,1065 25.284,1066 3.309,1067 15.485,1068 20.104,1070 31.85,1071 14.684,1072 1.779,1073 5.708,1074 27.186,1075 2.827,1076 16.661,1077 21.648,1078 15.838,1079 34.302,1080 15.809,1081 1.21,1082 5.344,1083 29.093,1084 2.689,1085 17.827,1086 23.174,1088 36.748,1089 16.919,1090 3504,1091 6786,1092 14.334,1093 23.029,1094 33.662,1095 36.722,1096 34.97,1097 33.449,1098 33.322,1099 45.808,1100 5.9,1101 99.111,1102 30.251,1103 5.48,1104 6.593,1105 6.323,1106 5.362,1107 5.271,1108 7.68,1109 5.9,1110 18.633,1111 5.084,1112 10.7,1113 1.53,1114 1.669,1115 1.59,1116 1.52,1117 1.515,1118 2.082,1119 0.268,1120 4.505,1121 1.375,1122 4.105,1123 4.142,1124 4.199,1125 4.009,1126 6.476,1127 4.005,1128 3.865,1129 3.886,1130 3.975,1131 3.815,1132 5.217,1133 3.806,1134 3.46,1135 3.535,1136 3.615,1137 3.248,1138 4.939,1139 3.265,1140 3.059,1141 3.143,1142 3.334,1143 2.97,1144 4.79,1145 2.894,1146 2.93,1147 3.009,1148 2.984,1149 2.758,1150 4.304,1151 2.763,1152 2.9,1153 2.925,1154 2.835,1155 2.735,1156 4.161,1157 2.715,1158 2.854,1159 2.912,1160 2.728,1161 2.597,1162 3.79,1163 2.638,1164 2.451,1165 2.545,1166 2.687,1167 2.284,1168 3.674,1169 2.223,1170 0.214,1171 0.209,1172 0.314,1173 0.192,1174 0.149,1175 4.707,1176 0.213,1177 4.593,1178 0.134,1179 6.909,1180 0.527,1181 4.215,1182 0.14,1183 3.271,1184 4.68,1185 2.95,1186 11.585,1187 3.084,1188 1.882,1189 1.869,1190 1.939,1191 1.991,1192 1.085,1193 1.961,1194 1.778,1195 1.747,1196 1.806,1197 1.922,1198 0.929,1199 1.93,1200 1.583,1201 1.53,1202 1.764,1203 1.757,1204 0.827,1205 1.765,1206 1.036,1207 0.965,1208 1.252,1209 1.356,1210 0.26,1211 1.34,1212 0.886,1213 0.821,1214 1.181,1215 1.197,1216 0.218,1217 1.198,1218 0.873,1219 0.818,1220 1.153,1221 1.062,1222 0.065,1223 1.107,1224 0.8,1225 0.732,1226 0.9,1227 0.955,1229 0.986,1230 0.502,1231 0.452,1232 0.726,1233 0.813,1235 0.81,1236 3.807,1238 5.153,1239 2.398,1240 6.686,1241 4.844,1242 8.309,1243 7.034,1244 9.983,1246 1.912,1247 5.873,1250 5.53,1251 9.983,1255 1.508,1262 21.922,1263 59.421,1264 124.07,1265 134.825,1266 138.825,1267 138.825,1268 138.825,1269 27.335,1270 6.746,1271 87.82,1272 113.12,1273 17,1274 12.363,1275 4.087,1276 3.17,1277 29.894,1278 56,1279 64,1280 0.266,1281 143.436,1282 231.71,1283 341.744,1284 6564,1285 3.2,1286 14.276,1287 0.714,1288 0.604,1289 15.129,1290 12.087,1291 9.542,1292 0.434,1293 0.319,1294 5.855,1295 8.483,1296 5.591,1297 4.63,1298 10.239,1299 7.02,1300 9.13,1301 0.285,1302 0.181,1303 10.18,1304 5.784,1305 7.321,1306 0.174,1307 0.102,1308 8.454,1309 4.289,1310 6.422,1311 0.111,1312 0.053,1313 7.472,1314 3.063,1315 5.126,1316 0.071,1317 0.032,1318 6.397,1319 2.338,1320 0.403,1321 66.599,1322 0.264,1323 19.581,1324 0.774,1325 108,1326 330.149,1327 158.767,1328 377.306,1329 509.44,1330 350,1331 128,1332 345.368,1333 170.242,1334 376.288,1335 553.1,1336 354,1337 4.609}
{0 CHEMBL142624,1 1.647,2 11,3 2.382,4 5.672,5 98.542,6 7.563,7 0.607,8 3.963,9 4.083,10 3.531,11 3.406,12 5.156,13 3.422,14 4.457,15 4.631,16 3.859,17 3.755,18 5.593,19 3.755,20 4.567,21 4.717,22 3.984,23 3.911,24 5.714,25 3.897,26 4.73,27 4.921,28 3.945,29 3.956,30 5.856,31 3.902,32 4.83,33 5.047,34 3.736,35 3.93,36 5.811,37 3.847,38 4.723,39 4.945,40 3.497,41 3.849,42 5.654,43 3.717,44 4.73,45 5.043,46 3.427,47 3.716,48 5.503,49 3.563,50 4.454,51 4.721,52 3.483,53 3.521,54 5.42,55 3.446,56 0.094,57 0.699,58 9.677,59 3.83,60 12.619,61 5.033,62 0.433,63 1.02,64 18.601,65 6.49,66 34.481,67 8.358,68 0.405,69 1.202,70 19.199,71 7.012,72 25.16,73 9.58,74 0.463,75 1.304,76 23.973,77 8.709,78 43.818,79 11.913,80 0.673,81 1.273,82 29.223,83 8.838,84 54.142,85 12.153,86 0.488,87 1.17,88 25.51,89 8.566,90 45.18,91 11.981,92 0.432,93 1.066,94 28.799,95 8.722,96 44.315,97 13.656,98 0.405,99 0.856,100 20.887,101 6.317,102 35.286,103 9.516,104 35,105 39,106 0.282,107 0.609,108 0.714,109 0.756,110 0.781,111 0.811,112 3.304,113 0.859,114 -3.38,115 -3.37,116 -3.22,119 38.3,121 2,124 3,139 3,140 3,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 7,169 2,170 6,172 3,173 3,175 1,178 7,180 1,181 2,182 8,187 1,189 5,191 1,192 2,193 8,195 3,196 3,197 1,198 2,200 2,201 4,204 2,205 1,207 6,212 2,215 3,218 2,221 7,226 2,229 2,231 2,234 5,239 2,243 2,245 2,246 7,251 3,256 3,259 1,260 1,265 1,270 1,273 920,274 17.643,275 17.643,276 17.643,277 17.643,278 17.643,279 15.582,280 22.184,281 10.181,282 18.387,283 13.619,284 13.619,285 13.619,286 13.619,287 13.619,288 10.281,289 24.385,290 4.557,291 14.54,292 3.908,293 1.997,294 1.379,295 1.134,296 0.99,297 0.814,298 3.985,300 1,301 1,302 1,303 602,304 3.082,307 229.767,311 120.969,314 1.538,315 25.121,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 57.5,327 286,328 4.541,329 3.378,330 6.523,331 4.041,332 3.081,333 4.491,334 0.86,335 10.257,336 2.961,337 4.42,338 3.128,339 6.502,340 4.006,341 3.058,342 4.104,343 0.86,344 10.174,345 2.896,346 3.785,347 2.711,348 5.381,349 3.426,350 2.452,351 3.238,352 0.86,353 7.048,354 2.387,355 3.555,356 2.555,357 5.218,358 3.185,359 2.22,360 2.879,362 6.571,363 2.14,364 3.427,365 2.456,366 5.19,367 2.972,368 2.061,369 2.811,371 6.118,372 1.889,373 3.356,374 2.171,375 5.062,376 2.965,377 2.031,378 2.678,380 5.801,381 1.867,382 3.355,383 2.036,384 4.965,385 2.877,386 1.947,387 2.604,389 5.738,390 1.802,391 2.454,392 1.953,393 3.811,394 2.017,395 1.173,396 1.435,398 2.565,399 0.985,400 2.236,401 1.069,402 3.71,403 1.944,404 1.008,405 1.222,407 2.532,408 0.94,409 1.886,410 1.055,411 3.227,412 1.676,413 0.717,414 0.811,415 1.598,416 0.684,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.43,426 0.785,427 2.744,428 1.161,429 0.315,430 0.339,431 0.416,432 0.265,433 1.33,434 0.27,435 2.58,436 0.95,437 0.021,438 0.027,439 0.049,440 0.019,441 0.976,442 0.012,443 2.492,444 0.534,445 -0.392,446 -0.471,448 -0.767,449 -0.357,450 0.834,451 -0.292,452 2.439,453 0.458,454 -0.461,455 -0.583,457 -1.154,458 -0.42,459 12,460 0.462,461 0.622,462 0.024,463 36,464 1.385,465 18.5,466 0.712,467 17.5,468 0.673,469 19.347,470 0.744,471 28.8,472 0.613,473 26.937,474 1.036,475 7.353,476 0.283,477 5.196,478 0.2,479 0.192,481 0.375,485 1.001,486 1.384,487 0.8,488 1.18,489 1.141,490 0.972,491 1.227,492 0.745,493 0.779,494 0.73,495 0.807,496 0.694,497 0.839,498 1.333,499 0.899,500 1.178,501 0.815,502 1.065,503 0.778,504 1.122,505 1.001,506 1.282,507 0.716,508 1.207,509 1.541,510 0.942,511 1.3,512 0.993,513 1.3,514 1.096,515 1.188,516 1.117,517 1.384,518 1.277,519 1.232,520 1.371,521 0.571,522 0.758,523 0.696,524 0.798,525 0.578,526 0.774,527 0.767,528 0.878,529 0.664,530 0.798,531 0.634,532 0.732,533 6,534 0.206,535 2.889,536 2.063,537 2.182,538 0.653,539 0.384,540 0.373,541 0.188,542 0.278,543 7796,544 23310,545 2.014,546 44.7,547 4,548 12,550 1,551 4,555 1.688,556 1.857,557 3.402,558 1.773,559 1,560 1,564 77.404,565 1.647,566 3.557,567 4.176,568 4.421,569 4.565,570 4.74,571 2.844,572 4.162,573 4.676,574 3.56,575 1157.13,576 8.087,577 14653.3,579 1,581 1,582 261.066,583 1.502,584 4.615,585 0.214,586 0.01,587 0.074,588 0.048,589 0.056,590 0.021,591 0.017,592 0.016,593 0.008,594 0.012,595 0.476,596 0.17,597 1,598 0.998,599 127.934,600 -0.116,601 -0.143,602 0.038,603 -0.08,604 -0.196,605 0.007,606 -0.054,607 0.325,608 0.171,609 0.303,610 0.122,611 0.273,612 0.098,613 -0.181,614 -0.018,615 -0.11,616 0.013,617 -0.085,618 0.121,619 -0.054,620 -0.084,621 -0.247,622 0.165,623 -0.217,624 -0.334,625 0.004,626 -0.302,627 -0.007,628 -0.296,629 -0.131,630 -0.244,631 -0.152,632 -0.432,633 -0.255,634 -0.356,635 -0.369,636 0.093,637 0.054,638 0.322,639 0.182,640 0.163,641 0.287,642 0.138,643 -0.005,644 0.349,645 0.188,646 0.248,647 0.29,648 1.548,649 1.923,650 0.615,651 22.059,652 1.012,653 1.137,654 2.154,655 4.639,656 0.649,657 3.367,658 3.689,659 3.97,660 4.234,661 4.443,662 4.431,663 4.466,664 4.511,665 4.615,666 4.654,667 6.467,668 0.627,669 355.44,670 3.367,671 4.905,672 5.759,673 6.642,674 7.512,675 8.396,676 9.27,677 10.154,678 11.029,679 11.913,680 10.6,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 3,718 47,719 17,720 1,721 28,723 49,724 18,725 13,726 4,727 2,729 3,730 4,739 2,741 13,742 5,753 1,754 1,757 21,758 8,759 4,760 8,764 5,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 2,818 3,829 6.4,834 3,836 14,837 9.35,838 5.944,839 2.442,840 3.363,841 1.464,842 0.967,843 5.518,844 10.618,845 3.624,846 4.277,847 4.903,848 5.509,849 6.08,850 6.317,851 6.599,852 6.901,853 7.304,854 7.402,855 1,856 43,857 9.511,859 3.896,860 7.788,861 17.89,863 13.961,865 2.288,866 59.5,869 1,870 200.109,871 105.811,872 116.151,874 33,877 105.811,878 233.108,879 116.151,880 32.649,881 5.069,882 94.223,883 62.128,884 68.437,885 4.227,886 188.338,888 200.109,889 221.962,890 33,893 201.824,894 33,897 16.016,898 153.875,899 50.357,901 200.109,902 149.151,903 105.811,906 200.109,907 35.686,908 70.125,910 149.151,911 200.109,912 149.151,913 105.811,915 0.574,916 0.355,917 0.202,918 0.109,919 18,920 9,921 0.122,922 6,923 1,924 1.125,925 3.713,926 213.724,927 0.125,928 16,929 114.211,933 18.327,934 7.828,935 3.88,936 1.188,937 149.151,938 7.587,939 12.401,943 4.363,945 65.794,946 455.07,947 36.5,956 47.56,957 53.441,958 0.296,959 0.64,960 0.752,961 0.796,962 0.822,963 0.853,964 4.854,965 1.173,966 5.753,967 5.738,968 4.369,969 4.963,970 1.693,971 6.575,972 4.254,973 6.083,974 1.008,975 7.322,976 2.565,977 4.007,978 4.913,980 7.496,981 3.861,982 7.411,983 0.717,984 8.986,985 2.532,986 5.979,987 7.259,988 1.454,989 10.577,990 5.779,991 8.776,992 0.396,993 10.705,994 1.598,995 6.399,996 7.989,998 12.288,999 6.155,1000 10.169,1001 0.315,1002 12.458,1003 0.603,1004 7.854,1005 9.84,1006 1.232,1007 14.899,1008 7.573,1009 11.582,1010 0.021,1011 14.235,1012 0.416,1013 8.643,1014 10.948,1016 16.957,1017 8.311,1018 13.011,1019 -0.392,1020 16.03,1021 0.049,1022 9.893,1023 12.594,1024 1.028,1025 19.398,1026 9.527,1027 3.081,1028 -0.461,1029 17.839,1030 -0.767,1031 10.861,1032 13.894,1034 21.609,1035 10.441,1036 3.058,1037 10.257,1038 19.66,1039 -1.154,1040 12.03,1041 15.449,1042 0.845,1043 23.981,1044 11.573,1045 2.452,1046 10.174,1047 21.491,1048 4.491,1049 13.081,1050 16.844,1052 26.257,1053 12.572,1054 2.22,1055 7.048,1056 23.329,1057 4.104,1058 14.218,1059 18.358,1060 0.684,1061 28.602,1062 13.668,1063 2.061,1064 6.571,1065 25.174,1066 3.238,1067 15.307,1068 19.8,1070 30.905,1071 14.707,1072 2.031,1073 6.118,1074 27.024,1075 2.879,1076 16.432,1077 21.298,1078 0.546,1079 33.239,1080 15.79,1081 1.947,1082 5.801,1083 28.879,1084 2.811,1085 17.539,1086 22.763,1088 35.554,1089 16.847,1090 7690,1091 13417,1092 18.205,1093 30.483,1094 40.809,1095 42.169,1096 43.609,1097 40.836,1098 40.963,1099 54.182,1100 5.16,1101 118.942,1102 38.355,1103 5.372,1104 5.378,1105 6.066,1106 5.115,1107 5.081,1108 7.491,1109 1.72,1110 17.178,1111 4.961,1112 14.929,1113 1.457,1114 1.506,1115 1.557,1116 1.458,1117 1.463,1118 1.935,1119 0.184,1120 4.248,1121 1.37,1122 4.063,1123 4.102,1124 4.034,1125 3.952,1126 5.324,1127 3.965,1128 3.935,1129 3.948,1130 3.898,1131 3.834,1132 4.983,1133 3.847,1134 3.562,1135 3.619,1136 3.481,1137 3.396,1138 4.971,1139 3.41,1140 3.312,1141 3.375,1142 3.194,1143 3.088,1144 4.809,1145 3.108,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.209,1153 3.287,1154 3.003,1155 2.903,1156 4.464,1157 2.904,1158 3.11,1159 3.225,1160 2.984,1161 2.839,1162 4.251,1163 2.852,1164 3.067,1165 3.163,1166 2.866,1167 2.806,1168 4.143,1169 2.821,1170 0.162,1171 0.121,1172 0.233,1173 0.144,1174 0.11,1175 4.541,1176 0.16,1177 3.378,1178 0.031,1179 6.523,1180 0.366,1181 4.041,1182 0.106,1183 3.081,1184 4.491,1185 0.86,1186 10.257,1187 2.961,1188 1.99,1189 1.96,1190 2.072,1191 2.125,1192 1.292,1193 2.105,1194 1.885,1195 1.87,1196 1.958,1197 2.008,1198 1.074,1199 1.994,1200 1.511,1201 1.461,1202 1.691,1203 1.72,1204 0.835,1205 1.715,1206 1.247,1207 1.186,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.57,1215 1.527,1216 0.573,1217 1.537,1218 1.166,1219 1.079,1220 1.525,1221 1.492,1222 0.557,1223 1.508,1224 1.06,1225 0.965,1226 1.364,1227 1.38,1228 0.355,1229 1.371,1230 0.995,1231 0.896,1232 1.264,1233 1.318,1234 0.09,1235 1.338,1236 4.043,1238 5.361,1240 6.889,1242 8.517,1244 10.197,1246 4.783,1250 11.522,1252 1.519,1254 16.137,1262 29.466,1263 77.404,1264 167.186,1265 196.272,1266 207.781,1267 214.536,1268 222.801,1269 40.387,1270 7.255,1271 118.4,1272 118.4,1273 18,1274 12.447,1275 4.17,1276 3.248,1277 44.513,1278 104,1279 90,1280 0.214,1281 183.793,1282 310.43,1283 440.216,1284 13420,1286 18.681,1287 0.719,1288 0.575,1289 18.681,1290 14.945,1291 12.55,1292 0.448,1293 0.286,1294 7.828,1295 11.83,1296 7.557,1297 6.343,1298 12.55,1299 8.019,1300 10.98,1301 0.282,1302 0.147,1303 10.98,1304 5.715,1305 9.353,1306 0.18,1307 0.078,1308 9.353,1309 4.082,1310 8.033,1311 0.118,1312 0.041,1313 8.033,1314 2.801,1315 6.45,1316 0.077,1317 0.023,1318 6.45,1319 1.955,1320 0.339,1321 80.491,1322 0.234,1323 25.137,1324 0.579,1325 134,1326 440.766,1327 150.795,1328 417.074,1329 571.09,1330 392,1331 158,1332 420.425,1333 175.183,1334 429.022,1335 622.99,1336 397,1337 5.943}
{0 CHEMBL142741,1 1.667,2 10.926,3 1.697,4 2.878,5 103.245,6 7.56,7 0.586,8 4.008,9 4.134,10 3.576,11 3.415,12 5.205,13 3.439,14 4.503,15 4.691,16 3.911,17 3.756,18 5.636,19 3.775,20 4.59,21 4.73,22 4.053,23 3.939,24 5.76,25 3.94,26 4.813,27 5.011,28 4.042,29 4.027,30 5.94,31 3.976,32 4.912,33 5.129,34 3.889,35 4.02,36 5.907,37 3.942,38 4.877,39 5.112,40 3.684,41 3.932,42 5.83,43 3.827,44 4.79,45 5.067,46 3.598,47 3.835,48 5.639,49 3.707,50 4.698,51 4.987,52 3.561,53 3.693,54 5.641,55 3.587,56 0.109,57 0.738,58 10.207,59 3.709,60 13.049,61 5.122,62 0.508,63 1.065,64 19.911,65 5.982,66 36.022,67 8.138,68 0.425,69 1.272,70 19.26,71 6.647,72 23.575,73 9.342,74 0.616,75 1.409,76 26.357,77 9.065,78 46.3,79 12.793,80 0.664,81 1.398,82 31.081,83 9.464,84 51.621,85 13.627,86 0.78,87 1.298,88 30.989,89 8.84,90 56.794,91 12.715,92 0.467,93 1.168,94 29.1,95 8.936,96 39.201,97 13.764,98 0.58,99 1.036,100 27.34,101 7.491,102 51.595,103 11.876,104 46,105 41,106 0.283,107 0.623,108 0.739,109 0.772,110 0.782,111 0.81,112 3.34,113 0.843,114 -2.64,115 -2.66,116 -2.59,119 36.7,124 4,125 1,139 3,140 2,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 2,169 2,170 9,172 3,173 3,175 1,178 2,180 1,181 2,182 6,187 1,191 1,192 5,193 5,195 3,196 3,197 1,198 2,200 2,201 2,204 2,205 1,206 1,212 1,215 2,218 1,220 2,221 4,223 1,224 1,226 1,229 2,231 1,234 3,245 2,246 7,248 1,249 1,251 2,256 2,259 1,260 1,273 1049,274 18.143,275 18.143,276 18.143,277 18.143,278 18.143,279 16.107,280 26.703,281 10.377,282 18.988,283 14.097,284 14.097,285 14.097,286 14.097,287 14.097,288 10.793,289 37.967,290 4.639,291 15.18,292 3.948,293 1.94,294 1.256,295 1.062,296 1.006,297 0.837,298 4.018,300 1,301 1,302 1,303 619,304 3.391,307 241.002,311 126.959,314 1.569,315 25.407,317 1,318 1,319 0.83,320 1,321 1,323 1,324 1,325 0.83,326 60,327 295,328 4.543,329 3.398,330 6.548,331 4.058,332 3.107,333 4.491,334 0.916,335 10.351,336 2.967,337 4.44,338 3.153,339 6.502,340 4.021,341 3.069,342 4.119,343 0.86,344 10.177,345 2.909,346 3.879,347 2.983,348 5.986,349 3.593,350 2.659,351 3.267,352 0.86,353 8.449,354 2.483,355 3.671,356 2.555,357 5.295,358 3.26,359 2.309,360 3.025,361 0.86,362 6.788,363 2.194,364 3.427,365 2.488,366 5.19,367 2.972,368 2.061,369 2.811,370 0.172,371 6.118,372 1.888,373 3.356,374 2.172,375 5.062,376 2.964,377 2.031,378 2.679,380 5.803,381 1.867,382 3.355,383 2.045,384 4.973,385 2.876,386 1.947,387 2.604,389 5.758,390 1.801,391 2.559,392 1.979,393 4.222,394 2.267,395 1.355,396 1.568,398 3.611,399 1.232,400 2.447,401 1.422,402 3.711,403 1.944,404 1.028,405 1.425,407 2.565,408 0.941,409 2.106,410 1.058,411 3.632,412 1.87,413 1,414 1.085,415 2.111,416 0.86,417 1.576,418 0.964,419 2.891,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.497,426 0.916,427 2.859,428 1.163,429 0.315,430 0.339,431 0.468,432 0.264,433 1.391,434 0.398,435 2.662,436 1.084,437 0.162,438 0.202,439 0.343,440 0.149,441 0.987,442 0.101,443 2.513,444 0.552,445 -0.37,446 -0.451,448 -0.783,449 -0.339,450 0.837,451 -0.198,452 2.483,453 0.456,454 -0.458,455 -0.563,457 -1.079,458 -0.413,459 12.4,460 0.459,461 0.712,462 0.026,463 37.75,464 1.398,465 19,466 0.704,467 18.75,468 0.694,469 20.22,470 0.749,471 30.2,472 0.616,473 29.845,474 1.105,475 7.878,476 0.292,477 5.082,478 0.188,479 0.226,481 0.395,485 1.024,486 1.555,487 0.799,488 1.259,489 1.161,490 1.009,491 1.329,492 0.729,493 0.767,494 0.606,495 0.822,496 0.584,497 0.919,498 1.465,499 0.936,500 1.24,501 0.831,502 1.104,503 0.7,504 1.054,505 0.969,506 1.219,507 0.682,508 1.166,509 1.267,510 1.129,511 1.184,512 1.153,513 1.121,514 1.168,515 1.4,516 0.842,517 1.358,518 1.021,519 1.288,520 1.168,521 0.74,522 0.988,523 0.872,524 1.024,525 0.607,526 0.988,527 0.766,528 0.768,529 0.795,530 0.789,531 0.84,532 0.794,533 6.5,534 0.206,535 3.333,536 2.313,537 2.462,538 0.91,539 0.588,540 0.389,541 0.234,542 0.278,543 8277,544 24943,545 1.992,546 44.9,548 17,550 1,551 4,555 1.701,556 1.82,557 3.397,558 1.771,559 1,560 1,564 81.69,565 1.667,566 3.674,567 4.359,568 4.553,569 4.609,570 4.778,571 2.847,572 4.255,573 4.73,574 3.549,575 1245.74,576 8.207,577 15937.5,579 1,581 1,582 275.121,583 1.541,584 4.659,585 0.224,586 0.01,587 0.081,588 0.05,589 0.057,590 0.025,591 0.021,592 0.014,593 0.009,594 0.012,595 0.504,596 0.17,597 1,598 1.011,599 133.688,600 -0.124,601 -0.283,602 0.046,603 -0.149,604 -0.219,605 -0.026,606 -0.114,607 0.356,608 0.202,609 0.393,610 0.113,611 0.361,612 0.045,613 -0.243,614 -0.066,615 -0.153,616 -0.008,617 -0.128,618 0.195,619 0.034,620 -0.05,621 -0.179,622 0.178,623 -0.174,624 -0.193,625 -0.159,626 -0.212,627 -0.136,628 -0.188,629 -0.179,630 -0.28,631 0.112,632 -0.363,633 -0.054,634 -0.348,635 -0.207,636 0.01,637 -0.116,638 0.112,639 -0.01,640 0.104,641 0.06,642 0.09,643 0.091,644 0.225,645 0.165,646 0.115,647 0.217,648 1.56,649 1.944,650 0.593,651 23.021,652 1.014,653 1.142,654 1.415,655 2.002,656 0.643,657 3.401,658 3.738,659 4.025,660 4.29,661 4.511,662 4.533,663 4.595,664 4.595,665 4.691,666 4.691,667 6.391,668 0.622,669 370.46,670 3.401,671 4.949,672 5.808,673 6.698,674 7.574,675 8.465,676 9.346,677 10.236,678 11.118,679 12.008,680 12.2,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,716 3,718 49,719 17,720 1,721 29,723 51,724 18,725 13,726 4,727 2,729 3,730 4,741 13,742 5,753 1,754 1,757 22,758 9,759 4,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 4,810 27,811 2,816 1,818 3,821 1,829 6.1,834 3,836 14.833,837 10.05,838 6.139,839 2.417,840 3.33,841 1.456,842 0.962,843 5.723,844 10.631,845 3.651,846 4.304,847 4.933,848 5.539,849 6.116,850 6.372,851 6.679,852 6.956,853 7.354,854 7.443,855 1,856 46,857 9.865,859 4.024,860 7.796,861 18.487,863 14.287,865 2.296,866 62,870 211.88,871 110.815,872 119.275,874 33,877 110.815,878 244.879,879 119.275,880 41.046,881 2.106,882 94.223,883 62.128,884 71.132,885 4.227,886 200.109,888 211.88,889 230.091,890 33,893 213.595,894 33,897 13.052,898 164.966,899 50.357,901 211.88,902 152.275,903 110.815,906 211.88,907 32.294,908 81.646,910 149.151,911 211.88,912 152.275,913 110.815,915 0.579,916 0.36,917 0.202,918 0.11,919 19,920 10,921 0.118,922 6,923 1,924 1.125,925 3.724,926 228.826,927 0.125,928 16,929 120.382,933 19.261,934 8.022,935 3.939,936 1.138,937 152.275,938 7.413,939 12.42,943 3.973,945 65.794,946 474.97,947 37.5,956 49.662,957 55.94,958 0.297,959 0.654,960 0.776,961 0.811,962 0.821,963 0.851,964 4.892,965 1.355,966 5.814,967 5.758,968 4.419,969 4.99,970 1.938,971 6.653,972 4.286,973 6.126,974 1.028,975 7.397,976 3.611,977 4.111,978 4.956,979 0.325,980 7.6,981 3.937,982 7.456,983 1,984 9.074,985 2.565,986 6.047,987 7.281,988 1.656,989 10.686,990 5.812,991 8.823,992 0.396,993 10.804,994 2.111,995 6.509,996 8.02,997 0.393,998 12.404,999 6.225,1000 10.218,1001 0.315,1002 12.567,1003 0.603,1004 7.944,1005 9.861,1006 1.418,1007 15.019,1008 7.616,1009 11.633,1010 0.162,1011 14.352,1012 0.468,1013 8.76,1014 10.973,1015 0.384,1016 17.073,1017 8.379,1018 13.063,1019 -0.37,1020 16.153,1021 0.343,1022 10,1023 12.613,1024 1.207,1025 19.513,1026 9.579,1027 3.107,1028 -0.458,1029 17.967,1030 -0.783,1031 10.982,1032 13.914,1033 0.351,1034 21.718,1035 10.507,1036 3.069,1037 10.351,1038 19.791,1039 -1.079,1040 12.145,1041 15.466,1042 1.019,1043 24.089,1044 11.63,1045 2.659,1046 10.177,1047 21.623,1048 4.491,1049 13.203,1050 16.861,1051 0.312,1052 26.36,1053 12.636,1054 2.309,1055 8.449,1056 23.462,1057 4.119,1058 14.339,1059 18.374,1060 0.852,1061 28.704,1062 13.728,1063 2.061,1064 6.788,1065 25.306,1066 3.267,1067 15.432,1068 19.815,1069 0.273,1070 31.006,1071 14.771,1072 2.031,1073 6.118,1074 27.155,1075 3.025,1076 16.558,1077 21.312,1078 0.706,1079 33.339,1080 15.852,1081 1.947,1082 5.803,1083 29.008,1084 2.811,1085 17.667,1086 22.777,1087 0.236,1088 35.655,1089 16.912,1090 8201,1091 14363,1092 18.611,1093 31.489,1094 42.871,1095 44.034,1096 45.881,1097 42.746,1098 42.88,1099 56.132,1100 7.338,1101 126.289,1102 39.795,1103 5.375,1104 5.398,1105 6.09,1106 5.133,1107 5.107,1108 7.491,1109 1.776,1110 17.271,1111 4.967,1112 16.487,1113 1.478,1114 1.518,1115 1.582,1116 1.474,1117 1.479,1118 1.936,1119 0.253,1120 4.355,1121 1.372,1122 4.062,1123 4.103,1124 4.035,1125 3.939,1126 5.324,1127 3.957,1128 3.933,1129 3.95,1130 3.9,1131 3.821,1132 4.983,1133 3.837,1134 3.569,1135 3.631,1136 3.492,1137 3.371,1138 4.975,1139 3.393,1140 3.344,1141 3.42,1142 3.238,1143 3.094,1144 4.81,1145 3.118,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.216,1153 3.293,1154 3.003,1155 2.911,1156 4.469,1157 2.912,1158 3.115,1159 3.225,1160 2.994,1161 2.865,1162 4.328,1163 2.857,1164 3.107,1165 3.207,1166 2.885,1167 2.812,1168 4.149,1169 2.845,1170 0.157,1171 0.117,1172 0.226,1173 0.14,1174 0.107,1175 4.543,1176 0.155,1177 3.398,1178 0.032,1179 6.548,1180 0.357,1181 4.058,1182 0.102,1183 3.107,1184 4.491,1185 0.916,1186 10.351,1187 2.967,1188 1.98,1189 1.947,1190 2.045,1191 2.125,1192 1.194,1193 2.102,1194 1.87,1195 1.856,1196 1.943,1197 2.009,1198 1.06,1199 1.989,1200 1.497,1201 1.437,1202 1.691,1203 1.738,1204 0.791,1205 1.726,1206 1.271,1207 1.198,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.57,1215 1.553,1216 0.573,1217 1.55,1218 1.171,1219 1.084,1220 1.527,1221 1.505,1222 0.561,1223 1.525,1224 1.109,1225 1.011,1226 1.492,1227 1.385,1228 0.534,1229 1.426,1230 0.999,1231 0.901,1232 1.277,1233 1.376,1234 0.171,1235 1.359,1236 4.078,1238 5.407,1240 6.944,1242 8.579,1244 10.265,1246 6.697,1250 11.557,1252 0.575,1254 16.197,1257 2.029,1262 30.487,1263 81.69,1264 180.043,1265 213.572,1266 223.082,1267 225.837,1268 234.101,1269 42.004,1270 7.3,1271 121.64,1272 121.64,1273 18,1274 12.538,1275 4.17,1276 3.248,1277 47.048,1278 105,1279 98,1280 0.223,1281 190.588,1282 321.43,1283 456.794,1284 13884,1286 19.552,1287 0.724,1288 0.581,1289 19.552,1290 15.685,1291 12.96,1292 0.447,1293 0.281,1294 7.929,1295 12.135,1296 7.607,1297 6.419,1298 12.96,1299 8.152,1300 11.51,1301 0.281,1302 0.144,1303 11.51,1304 5.921,1305 9.819,1306 0.179,1307 0.076,1308 9.819,1309 4.165,1310 8.382,1311 0.116,1312 0.039,1313 8.382,1314 2.835,1315 6.715,1316 0.075,1317 0.021,1318 6.715,1319 1.894,1320 0.349,1321 83.615,1322 0.232,1323 25.783,1324 0.611,1325 140,1326 466.412,1327 158.877,1328 440.809,1329 603.69,1330 414,1331 166,1332 445.89,1333 185.848,1334 455.778,1335 661.62,1336 420,1337 6.553}
{0 CHEMBL144200,1 1.607,2 9.593,3 3.334,4 11.118,5 106.535,6 8.892,7 0.742,8 3.891,9 4.01,10 3.659,11 3.513,12 5.09,13 3.494,14 4.355,15 4.499,16 4.079,17 3.916,18 5.548,19 3.873,20 4.58,21 4.754,22 4.187,23 4.053,24 5.702,25 3.989,26 4.598,27 4.782,28 4.052,29 4.041,30 5.706,31 3.95,32 4.614,33 4.808,34 3.906,35 4.016,36 5.668,37 3.921,38 4.617,39 4.846,40 3.849,41 3.933,42 5.645,43 3.833,44 4.493,45 4.734,46 3.752,47 3.796,48 5.477,49 3.698,50 4.264,51 4.48,52 3.657,53 3.615,54 5.368,55 3.545,56 0.063,57 0.723,58 6.511,59 3.201,60 10.82,61 3.481,62 0.191,63 1.157,64 11.992,65 5.672,66 19.762,67 6.461,68 0.306,69 1.434,70 19.566,71 7.465,72 25.808,73 8.187,74 0.315,75 1.41,76 21.385,77 8.327,78 29.702,79 9.337,80 0.225,81 1.366,82 21.262,83 8.367,84 28.033,85 9.713,86 0.303,87 1.332,88 20.418,89 7.937,90 33.223,91 10.19,92 0.214,93 1.159,94 20.839,95 7.618,96 25.253,97 9.748,98 0.176,99 0.964,100 13.833,101 5.371,102 21.746,103 6.598,104 5,105 45,106 0.275,107 0.611,108 0.719,109 0.8,110 0.817,111 0.817,112 3.341,113 0.889,114 -4.12,115 -4.06,116 -3.84,119 45.2,125 1,139 8,141 4,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 6,169 2,170 2,172 3,173 3,178 6,181 4,182 5,184 1,185 1,189 6,192 2,193 2,195 3,196 3,197 1,200 2,201 4,205 1,207 2,209 1,210 1,215 6,220 2,221 7,223 1,224 1,229 6,234 7,241 2,246 6,248 1,249 1,251 2,256 2,260 10,265 5,270 5,273 1037,274 18.602,275 18.602,276 18.602,277 18.602,278 18.602,279 15.811,280 19.973,281 10.883,282 19.145,283 15.358,284 15.358,285 15.358,286 15.358,287 15.358,288 11.214,289 25.967,290 5.211,291 16.338,292 3.785,293 1.822,294 1.19,295 0.714,296 0.619,297 0.619,298 4.058,300 1,301 1,302 1,303 585,304 2.449,307 266.078,311 269.593,314 1.372,315 19.224,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 57.5,327 259,328 4.55,329 4.606,330 6.837,331 4.168,332 3.238,333 4.491,334 2.95,335 11.387,336 3.007,337 4.493,338 3.221,339 6.501,340 4.013,341 3.072,342 4.075,343 0.916,344 10.173,345 2.889,346 3.962,347 3.209,348 5.982,349 3.502,350 2.532,351 3.58,352 0.172,353 8.37,354 2.447,355 3.777,356 3.071,357 5.492,358 3.368,359 2.432,360 3.236,362 7.263,363 2.279,364 3.438,365 2.512,366 5.189,367 3.023,368 2.123,369 2.811,371 6.319,372 1.912,373 3.412,374 2.169,375 5.062,376 2.928,377 2.01,378 2.725,380 5.798,381 1.838,382 3.227,383 2.033,384 4.957,385 2.818,386 1.896,387 2.424,389 5.684,390 1.739,391 2.967,392 1.788,393 4.116,394 2.489,395 1.517,396 2.166,398 3.329,399 1.456,400 2.819,401 1.657,402 3.847,403 2.336,404 1.347,405 1.966,407 3.265,408 1.329,409 2.702,410 1.348,411 3.709,412 2.227,413 1.247,414 1.792,415 2.902,416 1.215,417 2.454,418 1.059,419 3.594,420 1.92,421 1.008,422 1.434,423 2.565,424 0.918,425 2.187,426 0.939,427 3.532,428 1.797,429 0.832,430 1.095,431 2.158,432 0.8,433 1.544,434 0.716,435 2.968,436 1.155,437 0.245,438 0.304,439 0.625,440 0.22,441 1.261,442 0.49,443 2.806,444 0.845,445 -0.048,446 -0.061,448 -0.128,449 -0.043,450 0.976,451 0.241,452 2.649,453 0.491,454 -0.431,455 -0.559,457 -1.091,458 -0.393,459 13.133,460 0.486,461 0.657,462 0.024,463 42.75,464 1.583,465 24,466 0.889,467 18.75,468 0.694,469 17.982,470 0.666,471 26.467,472 0.63,473 29.905,474 1.108,475 8.224,476 0.305,477 4.962,478 0.184,479 0.061,481 0.373,485 1.093,486 1.136,487 0.695,488 0.768,489 1.237,490 0.718,491 0.715,492 0.972,493 0.747,494 0.847,495 0.509,496 0.813,497 1.004,498 0.973,499 1.071,500 0.996,501 0.795,502 0.899,503 0.855,504 0.907,505 1.254,506 1.154,507 0.611,508 1.081,509 1.009,510 1.061,511 1.233,512 1.207,513 0.966,514 1.193,515 0.87,516 0.853,517 0.844,518 0.897,519 0.997,520 1.042,521 0.854,522 0.973,523 0.814,524 0.906,525 0.747,526 0.908,527 1.051,528 1.033,529 0.788,530 0.842,531 1.081,532 0.909,533 5,534 0.148,535 2.889,536 2,537 2.138,538 0.646,539 0.422,540 0.391,541 0.337,542 0.178,543 8845,544 24772,545 2.208,546 35.7,548 10,550 1,551 4,555 1.705,556 2.104,557 3.213,558 1.734,559 1,560 1,564 67.512,565 1.607,566 3.57,567 4.202,568 4.678,569 4.773,570 4.773,571 2.628,572 4.134,573 4.731,574 3.37,575 1182.81,576 8.23,577 14599.8,578 1,579 1,581 1,582 226.477,583 1.28,584 4.703,585 0.161,586 0.01,587 0.064,588 0.042,589 0.05,590 0.017,591 0.012,592 0.012,593 0.012,594 0.007,595 0.386,596 0.33,597 0.88,598 0.454,599 131.262,600 -0.195,601 -0.06,602 0.038,603 0.085,604 -0.307,605 0.076,606 0.227,607 0.09,608 0.11,609 0.074,610 0.217,611 0.034,612 0.054,613 0.096,614 -0.018,615 0.025,616 0.012,617 -0.002,618 0.097,619 0.116,620 -0.192,621 -0.109,622 0.206,623 -0.136,624 -0.156,625 -0.097,626 -0.284,627 -0.222,628 -0.105,629 -0.222,630 0.036,631 0.065,632 0.007,633 0.007,634 -0.116,635 -0.035,636 0.022,637 -0.079,638 0.159,639 0.08,640 0.047,641 0.156,642 -0.05,643 -0.069,644 0.089,645 0.063,646 -0.028,647 0.056,648 1.571,649 1.962,650 0.889,651 19.83,652 1.008,653 1.121,654 2.887,655 8.338,656 0.732,657 3.466,658 3.829,659 4.159,660 4.5,661 4.812,662 4.905,663 5.069,664 5.247,665 5.425,666 5.434,667 5.761,668 0.701,669 373.48,670 3.466,671 5.03,672 5.911,673 6.817,674 7.714,675 8.624,676 9.527,677 10.439,678 11.345,679 12.257,680 16.7,684 2,688 1,690 4,694 2,695 9,696 4,700 7,702 23,711 2,714 1,718 42,719 23,720 2,721 31,723 46,724 19,725 18,726 4,727 8,729 5,730 9,741 18,742 1,753 1,754 1,757 15,758 7,759 4,760 8,761 1,764 7,769 0.4,774 1,776 1,781 5,785 3,802 2,803 1,804 1,810 27,811 2,816 1,819 1,821 1,836 12.833,837 7.583,838 5.75,839 2.325,840 4.634,841 1.564,842 1.082,843 3.849,844 12.849,845 3.773,846 4.449,847 5.088,848 5.726,849 6.349,850 6.629,851 7.057,852 7.516,853 7.977,854 8.18,855 1,856 48,857 9.897,859 4.31,860 7.66,861 18.907,863 15.901,865 2.16,866 58.333,869 1,870 129.482,871 138.641,872 136.061,876 32.22,877 106.421,878 129.482,879 136.061,881 2.106,882 141.604,883 78.913,884 27.403,885 4.227,886 149.931,888 129.482,889 242.482,891 32.22,893 131.197,897 21.077,898 152.547,899 67.142,900 32.22,901 129.482,902 136.061,903 138.641,906 129.482,907 53.783,908 87.982,910 132.936,911 129.482,912 136.061,913 138.641,915 0.588,916 0.352,917 0.207,918 0.12,919 25,920 10,921 0.043,922 2,923 3,924 1.25,925 3.854,926 252.608,927 0.25,928 24,929 116.382,930 1,933 16.302,934 6.375,935 2.852,936 0.869,937 136.061,938 18.388,939 17.093,943 5.814,945 65.794,946 404.184,947 42.5,956 42.323,957 47.069,958 0.298,959 0.662,960 0.779,961 0.868,962 0.885,963 0.885,964 5.016,965 1.517,966 5.905,967 5.684,968 4.511,969 5.136,970 2.991,971 6.758,972 4.385,973 6.245,974 1.347,975 7.483,976 3.329,977 4.111,978 4.956,979 0.325,980 7.703,981 3.901,982 7.568,983 1.247,984 9.16,985 3.265,986 6.138,987 7.404,988 5.033,989 10.854,990 5.882,991 8.926,992 1.008,993 10.897,994 2.902,995 6.553,996 8.037,997 0.393,998 12.635,999 6.208,1000 10.314,1001 0.832,1002 12.674,1003 2.565,1004 8.054,1005 9.954,1006 7.185,1007 15.303,1008 7.667,1009 11.725,1010 0.245,1011 14.477,1012 2.158,1013 8.862,1014 10.997,1015 0.384,1016 17.44,1017 8.385,1018 13.154,1019 -0.048,1020 16.3,1021 0.625,1022 10.148,1023 12.676,1024 9.348,1025 19.94,1026 9.623,1027 3.238,1028 -0.431,1029 18.138,1030 -0.128,1031 11.145,1032 13.933,1033 0.351,1034 22.231,1035 10.534,1036 3.072,1037 11.387,1038 19.988,1039 -1.091,1040 12.345,1041 15.502,1042 11.511,1043 24.672,1044 11.677,1045 2.532,1046 10.173,1047 21.848,1048 4.491,1049 13.43,1050 16.87,1051 0.312,1052 27.031,1053 12.679,1054 2.432,1055 8.37,1056 23.715,1057 4.075,1058 14.599,1059 18.389,1060 13.675,1061 29.452,1062 13.785,1063 2.123,1064 7.263,1065 25.59,1066 3.58,1067 15.723,1068 19.814,1069 0.273,1070 31.842,1071 14.83,1072 2.01,1073 6.319,1074 27.469,1075 3.236,1076 16.882,1077 21.312,1078 15.838,1079 34.259,1080 15.921,1081 1.896,1082 5.798,1083 29.353,1084 2.811,1085 18.025,1086 22.768,1087 0.236,1088 36.663,1089 16.987,1090 8115,1091 13739,1092 21.383,1093 30.733,1094 47.417,1095 49.886,1096 48.09,1097 47.084,1098 47,1099 64.201,1100 8.078,1101 139.673,1102 44.097,1103 5.422,1104 6.606,1105 6.523,1106 5.332,1107 5.238,1108 7.491,1109 5.9,1110 18.919,1111 5.007,1112 9.507,1113 1.53,1114 1.609,1115 1.551,1116 1.519,1117 1.516,1118 2.071,1119 0.261,1120 4.506,1121 1.422,1122 4.066,1123 4.108,1124 4.153,1125 3.997,1126 5.342,1127 3.978,1128 3.969,1129 4.003,1130 3.998,1131 3.832,1132 4.989,1133 3.86,1134 3.758,1135 3.788,1136 3.686,1137 3.707,1138 4.876,1139 3.698,1140 3.507,1141 3.576,1142 3.457,1143 3.324,1144 4.804,1145 3.344,1146 3.16,1147 3.243,1148 3.284,1149 3.02,1150 4.615,1151 2.981,1152 3.1,1153 3.218,1154 3.065,1155 2.916,1156 4.228,1157 2.879,1158 2.958,1159 2.986,1160 2.992,1161 2.779,1162 4.05,1163 2.821,1164 2.825,1165 2.903,1166 2.706,1167 2.674,1168 3.894,1169 2.655,1170 0.147,1171 0.149,1172 0.221,1173 0.134,1174 0.104,1175 4.55,1176 0.145,1177 4.606,1178 0.095,1179 6.837,1180 0.367,1181 4.168,1182 0.097,1183 3.238,1184 4.491,1185 2.95,1186 11.387,1187 3.007,1188 1.99,1189 1.969,1190 2.046,1191 2.121,1192 1.229,1193 2.096,1194 1.898,1195 1.857,1196 1.937,1197 2.033,1198 0.983,1199 2.028,1200 1.772,1201 1.744,1202 1.902,1203 1.849,1204 0.978,1205 1.869,1206 1.441,1207 1.382,1208 1.599,1209 1.662,1210 0.716,1211 1.649,1212 1.092,1213 1.027,1214 1.293,1215 1.382,1216 0.294,1217 1.366,1218 0.981,1219 0.928,1220 1.257,1221 1.347,1222 0.25,1223 1.334,1224 0.956,1225 0.874,1226 1.134,1227 1.048,1228 0.165,1229 1.105,1230 0.817,1231 0.754,1232 1.109,1233 1.018,1234 0.112,1235 1.041,1236 4.143,1238 5.493,1240 7.057,1242 8.724,1244 10.444,1250 11.599,1252 0.557,1255 1.772,1257 2.241,1262 29.444,1263 67.512,1264 149.948,1265 176.477,1266 196.477,1267 200.477,1268 200.477,1269 30.221,1270 8.215,1271 108.53,1272 136.77,1273 30,1274 12.771,1275 4.585,1276 3.644,1277 35.616,1278 93,1279 98,1280 0.187,1281 182.548,1282 298.33,1283 437.176,1284 45576,1286 18.38,1287 0.681,1288 0.556,1289 18.734,1290 15.019,1291 13.187,1292 0.425,1293 0.296,1294 8.335,1295 12.319,1296 8.11,1297 6.691,1298 13.595,1299 9.186,1300 12.209,1301 0.271,1302 0.16,1303 12.851,1304 7.208,1305 10.614,1306 0.168,1307 0.087,1308 11.423,1309 5.484,1310 9.611,1311 0.108,1312 0.048,1313 10.535,1314 4.268,1315 8.371,1316 0.069,1317 0.026,1318 9.341,1319 3.227,1320 0.287,1321 85.996,1322 0.216,1323 25.37,1324 0.535,1325 152,1326 411.71,1327 190.584,1328 433.604,1329 616.63,1330 408,1331 184,1332 465.87,1333 221.762,1334 489.662,1335 725.49,1336 463,1337 6.699}
{0 CHEMBL144563,1 1.411,2 11.667,3 4.7,4 22.085,5 124.26,6 7.045,7 0.667,8 4.131,9 4.279,10 3.651,11 3.656,12 5.238,13 3.628,14 4.638,15 4.845,16 4.042,17 4.055,18 5.672,19 4.009,20 4.804,21 4.98,22 4.177,23 4.24,24 5.819,25 4.187,26 5.049,27 5.255,28 4.207,29 4.374,30 6.082,31 4.279,32 5.257,33 5.529,34 4.02,35 4.42,36 6.125,37 4.265,38 5.21,39 5.511,40 3.826,41 4.311,42 5.982,43 4.109,44 5.036,45 5.351,46 3.717,47 4.109,48 5.785,49 3.932,50 4.778,51 5.044,52 3.682,53 3.98,54 5.645,55 3.84,56 0.07,57 0.907,58 12.562,59 4.601,60 14.136,61 6.766,62 0.259,63 1.4,64 22.261,65 8.147,66 28.017,67 11.919,68 0.135,69 1.693,70 25.447,71 9.272,72 17.028,73 13.766,74 0.372,75 2.04,76 33.695,77 11.923,78 43.899,79 17.65,80 0.482,81 2.202,82 44.309,83 14.335,84 58.082,85 22.039,86 0.368,87 1.945,88 42.971,89 15.901,90 53.404,91 23.821,92 0.297,93 1.618,94 36.665,95 12.555,96 42.881,97 19.339,98 0.22,99 1.376,100 27.007,101 9.556,102 31.319,103 14.437,104 50,105 49,106 0.229,107 0.57,108 0.674,109 0.707,110 0.749,111 0.784,112 3.441,113 0.904,114 -5.1,115 -5,116 -4.68,119 40.4,120 5,125 1,139 2,140 7,141 2,142 1,144 1,146 1,147 1,148 2,157 2,158 2,159 2,166 10,169 2,170 8,172 3,173 3,175 4,178 9,180 1,182 7,187 6,189 8,191 1,192 1,193 7,195 3,196 4,197 1,198 7,200 2,201 12,204 3,205 1,210 1,212 1,215 16,218 1,221 2,224 2,225 1,226 2,228 1,229 14,231 2,234 5,239 2,241 10,246 7,250 1,251 2,253 1,254 4,256 2,259 1,260 10,265 4,268 2,270 4,273 1330,274 19.759,275 19.759,276 19.759,277 19.759,278 19.759,279 16.801,280 22.458,281 11.139,282 20.147,283 16.161,284 16.161,285 16.161,286 16.161,287 16.161,288 11.839,289 28.509,290 5.189,291 16.814,292 4.422,293 2.326,294 1.688,295 1.484,296 1.224,297 1.014,298 4.127,301 1,302 1,303 759,304 2.915,306 87.034,307 263.92,311 141.372,314 1.6,315 19.612,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 63.5,327 350,328 4.687,329 3.503,330 7.019,331 4.305,332 3.324,333 4.616,334 0.657,335 11.829,336 3.265,337 4.652,338 3.311,339 6.835,340 4.183,341 3.21,342 4.458,344 11.23,345 3.128,346 4.04,347 2.873,348 6.253,349 3.643,350 2.693,351 3.585,353 9.144,354 2.555,355 3.899,356 2.709,357 5.798,358 3.485,359 2.528,360 3.407,362 7.845,363 2.418,364 3.637,365 2.579,366 5.791,367 3.303,368 2.303,369 3,371 7.292,372 2.303,373 3.459,374 2.236,375 5.12,376 3.02,377 2.074,378 2.861,380 5.931,381 1.968,382 3.44,383 2.123,384 5.094,385 2.96,386 2.013,387 2.811,389 5.81,390 1.9,391 3.372,392 2.045,393 5.008,394 2.896,395 1.964,396 2.699,398 5.733,399 1.819,400 2.71,401 1.672,402 4.26,403 2.333,404 1.38,405 1.78,407 3.58,408 1.311,409 2.519,410 1.337,411 3.919,412 2.119,413 1.159,414 1.525,415 2.768,416 1.11,417 2.124,418 1.146,419 3.618,420 1.839,421 0.892,422 1.065,423 2.097,424 0.842,425 2.118,426 1.105,427 3.402,428 1.618,429 0.618,430 0.927,431 1.464,432 0.618,433 1.781,434 0.632,435 3.149,436 1.591,437 0.618,438 0.686,439 1.372,440 0.6,441 1.576,442 0.618,443 3,444 1.256,445 0.303,446 0.365,448 0.782,449 0.288,450 1.219,451 0.162,452 2.827,453 0.845,454 -0.095,455 -0.119,457 -0.249,458 -0.089,459 14.3,460 0.477,461 0.967,462 0.032,463 41.25,464 1.375,465 21.5,466 0.717,467 19.75,468 0.658,469 28.412,470 0.947,471 31.9,472 0.56,473 30.931,474 1.031,475 8.088,476 0.27,477 6.203,478 0.207,479 0.231,481 0.448,485 1.128,486 1.328,487 0.879,488 1.033,489 1.288,490 0.943,491 0.665,492 0.879,493 0.657,494 0.776,495 0.431,496 0.725,497 1.023,498 1.38,499 0.956,500 1.163,501 0.797,502 1.07,503 0.982,504 1.221,505 1.198,506 1.291,507 0.67,508 1.274,509 1.262,510 0.899,511 1.233,512 1.039,513 1.159,514 1.117,515 0.52,516 0.876,517 0.94,518 1.061,519 0.691,520 1.054,521 0.695,522 0.82,523 0.797,524 0.847,525 0.694,526 0.837,527 0.809,528 1.025,529 0.983,530 1.071,531 0.848,532 1.052,533 6,534 0.214,535 4.444,536 3.528,537 2.826,538 1.208,539 0.724,540 0.461,541 0.429,542 0.313,543 11544,544 27479,545 2.028,546 47.4,547 15,548 4,549 2,550 1,551 5,555 1.728,556 1.837,557 3.457,558 2.386,564 80.399,565 1.411,566 3.507,567 4.145,568 4.349,569 4.609,570 4.819,571 2.881,572 4.348,573 4.882,574 3.638,575 1582.69,576 8.51,577 21486.9,579 1,582 332.475,583 1.541,584 4.805,585 0.182,586 0.008,587 0.091,588 0.064,589 0.053,590 0.029,591 0.021,592 0.014,593 0.014,594 0.01,595 0.487,597 1,598 0.653,599 153.262,600 -0.115,601 -0.095,602 0.037,603 0.021,604 -0.257,605 0.043,606 0.314,607 0.233,608 0.294,609 0.253,610 0.337,611 0.268,612 -0.074,613 -0.221,614 -0.03,615 -0.118,616 -0.039,617 -0.077,618 0.053,619 -0.106,620 -0.25,621 -0.284,622 0.155,623 -0.301,624 -0.246,625 0.082,626 -0.248,627 -0.068,628 -0.229,629 -0.144,630 0.146,631 -0.018,632 0.032,633 -0.038,634 0.054,635 -0.02,636 0.068,637 0.024,638 0.197,639 0.15,640 0.076,641 0.182,642 0.017,643 -0.072,644 -0.015,645 -0.058,646 -0.021,647 -0.044,648 1.53,649 2.091,650 0.7,651 25.822,652 0.992,653 1.134,654 3.869,655 14.97,656 0.661,657 3.526,658 3.912,659 4.248,660 4.533,661 4.7,662 4.796,663 4.836,664 4.89,665 4.99,666 5.063,667 6.733,668 0.621,669 401.57,670 3.526,671 5.106,672 5.994,673 6.905,674 7.804,675 8.718,676 9.621,677 10.535,678 11.44,679 12.354,680 12.3,684 2,685 1,688 1,690 3,694 2,695 5,696 3,700 10,701 1,702 22,711 2,712 1,718 57,719 22,720 1,721 33,723 60,724 23,725 17,726 6,729 4,730 5,734 5,741 17,742 6,754 1,757 27,758 6,759 5,760 7,764 7,769 0.75,775 1,776 1,777 1,780 1,781 3,785 1,802 3,806 5,810 30,811 2,816 1,817 1,836 16.333,837 11.883,838 6.472,839 3.271,840 4,841 1.516,842 1.016,843 5.224,844 11.748,845 3.807,846 4.525,847 5.189,848 5.817,849 6.33,850 6.684,851 6.994,852 7.327,853 7.686,854 7.874,855 0.875,856 55,857 11.018,859 4.619,860 7.6,861 21.254,863 17.392,865 2.1,866 63,869 1,870 258.964,871 125.469,872 136.061,877 125.469,878 258.964,879 136.061,880 44.126,881 2.106,882 102.842,883 80.138,884 39.862,885 27.769,886 223.651,888 258.964,889 261.53,893 260.68,897 59.077,898 132.37,899 68.367,901 258.964,902 136.061,903 125.469,906 258.964,907 35.248,908 92.12,909 18.011,910 116.151,911 258.964,912 136.061,913 125.469,915 0.601,916 0.376,917 0.207,918 0.102,919 25,920 13,921 0.067,922 4,923 1,924 1.095,925 3.954,926 279.032,927 0.095,928 21,929 135.207,933 20.33,934 7.71,935 3.46,936 1.281,937 134.162,938 10.104,939 12.734,943 9.957,944 2.181,945 83.805,946 520.494,947 44,956 56.549,957 64.64,958 0.242,959 0.601,960 0.711,961 0.746,962 0.79,963 0.826,964 5.072,965 1.964,966 6.023,967 5.81,968 4.595,969 5.212,970 0.623,971 6.917,972 4.522,973 6.339,974 1.38,975 7.645,976 5.733,977 4.369,978 5.247,980 7.978,981 4.28,982 7.694,983 1.159,984 9.367,985 3.58,986 6.275,987 7.556,988 0.317,989 11.136,990 6.145,991 9.087,992 0.892,993 11.146,994 2.768,995 6.847,996 8.391,998 12.994,999 6.711,1000 10.509,1001 0.618,1002 12.96,1003 2.097,1004 8.26,1005 10.2,1006 0.149,1007 15.698,1008 8.089,1009 11.954,1010 0.618,1011 14.798,1012 1.464,1013 9.177,1014 11.398,1016 17.887,1017 8.999,1018 13.415,1019 0.303,1020 16.654,1021 1.372,1022 10.427,1023 13.023,1024 0.067,1025 20.435,1026 10.221,1027 3.324,1028 -0.095,1029 18.524,1030 0.782,1031 11.494,1032 14.392,1034 22.769,1035 11.278,1036 3.21,1037 11.829,1038 20.405,1039 -0.249,1040 12.691,1041 15.946,1042 0.03,1043 25.257,1044 12.453,1045 2.693,1046 11.23,1047 22.294,1048 4.616,1049 13.823,1050 17.394,1052 27.656,1053 13.57,1054 2.528,1055 9.144,1056 24.191,1057 4.458,1058 15.006,1059 18.923,1060 0.013,1061 30.122,1062 14.734,1063 2.303,1064 7.845,1065 26.094,1066 3.585,1067 16.167,1068 20.407,1070 32.55,1071 15.878,1072 2.074,1073 7.292,1074 28.002,1075 3.407,1076 17.348,1077 21.926,1078 0.006,1079 35.007,1080 17.04,1081 2.013,1082 5.931,1083 29.915,1084 3,1085 18.522,1086 23.428,1088 37.449,1089 18.197,1090 11008,1091 17166,1092 21.213,1093 37.654,1094 50.699,1095 50.621,1096 53.379,1097 50.209,1098 50.159,1099 67.57,1100 1.315,1101 153.753,1102 48.251,1103 5.529,1104 5.503,1105 6.613,1106 5.381,1107 5.324,1108 7.616,1109 1.315,1110 19.829,1111 5.265,1112 18.452,1113 1.536,1114 1.534,1115 1.618,1116 1.521,1117 1.52,1118 2.048,1119 0.04,1120 4.659,1121 1.462,1122 4.106,1123 4.144,1124 4.071,1125 4.012,1126 5.321,1127 4.02,1128 4.034,1129 4.073,1130 4.005,1131 3.93,1132 4.982,1133 3.945,1134 3.803,1135 3.849,1136 3.735,1137 3.694,1138 4.875,1139 3.698,1140 3.549,1141 3.617,1142 3.478,1143 3.363,1144 4.805,1145 3.385,1146 3.366,1147 3.441,1148 3.193,1149 3.243,1150 4.61,1151 3.222,1152 3.257,1153 3.346,1154 3.113,1155 3.075,1156 4.219,1157 3.069,1158 3.167,1159 3.264,1160 3.049,1161 2.957,1162 4.048,1163 2.955,1164 3.07,1165 3.18,1166 2.875,1167 2.815,1168 4.048,1169 2.816,1170 0.142,1171 0.106,1172 0.213,1173 0.13,1174 0.101,1175 4.687,1176 0.14,1177 3.503,1178 0.02,1179 7.019,1180 0.358,1181 4.305,1182 0.099,1183 3.324,1184 4.616,1185 0.657,1186 11.829,1187 3.265,1188 2.015,1189 1.987,1190 2.099,1191 2.137,1192 1.317,1193 2.121,1194 1.973,1195 1.946,1196 2.043,1197 2.077,1198 1.212,1199 2.073,1200 1.504,1201 1.441,1202 1.704,1203 1.736,1204 0.807,1205 1.719,1206 1.48,1207 1.438,1208 1.67,1209 1.633,1210 0.778,1211 1.628,1212 1.41,1213 1.346,1214 1.66,1215 1.593,1216 0.694,1217 1.626,1218 1.399,1219 1.331,1220 1.603,1221 1.583,1222 0.685,1223 1.622,1224 1.201,1225 1.111,1226 1.529,1227 1.462,1228 0.581,1229 1.49,1230 1.148,1231 1.055,1232 1.523,1233 1.404,1234 0.561,1235 1.446,1236 4.205,1238 5.572,1239 2.398,1240 7.14,1241 4.443,1242 8.809,1243 6.293,1244 10.534,1246 10.692,1250 11.791,1252 0.627,1253 3.632,1262 35.418,1263 80.399,1264 199.894,1265 236.262,1266 247.871,1267 262.7,1268 274.7,1269 43.358,1270 7.748,1271 107.67,1272 107.67,1273 23,1274 12.868,1275 4.524,1276 3.585,1277 47.147,1278 124,1279 116,1280 0.189,1281 220.107,1282 364.02,1283 528.821,1284 24648,1286 21.577,1287 0.719,1288 0.601,1289 21.577,1290 18.037,1291 14.291,1292 0.433,1293 0.301,1294 9.829,1295 13.863,1296 9.346,1297 7.873,1298 14.291,1299 9.939,1300 13.387,1301 0.273,1302 0.158,1303 13.387,1304 7.742,1305 11.978,1306 0.174,1307 0.088,1308 11.978,1309 6.038,1310 10.269,1311 0.112,1312 0.045,1313 10.269,1314 4.124,1315 7.291,1316 0.067,1317 0.023,1318 7.291,1319 2.519,1320 0.297,1321 88.621,1322 0.217,1323 28.115,1324 0.52,1325 164,1326 399.538,1327 176.295,1328 404.652,1329 578.22,1330 380,1331 200,1332 455,1333 212.989,1334 468.871,1335 688.85,1336 440,1337 6.77}
{0 CHEMBL144839,1 1.469,2 9.593,3 3.191,4 10.18,5 103.588,6 8.078,7 0.742,8 3.926,9 4.055,10 3.574,11 3.497,12 5.102,13 3.499,14 4.409,15 4.57,16 3.965,17 3.897,18 5.568,19 3.881,20 4.649,21 4.839,22 4.054,23 4.046,24 5.737,25 4.009,26 4.719,27 4.931,28 3.968,29 4.061,30 5.773,31 3.988,32 4.73,33 4.955,34 3.871,35 4.048,36 5.725,37 3.955,38 4.701,39 4.953,40 3.774,41 3.95,42 5.679,43 3.849,44 4.535,45 4.784,46 3.669,47 3.794,48 5.511,49 3.712,50 4.341,51 4.573,52 3.577,53 3.622,54 5.414,55 3.565,56 0.047,57 0.745,58 7.699,59 3.247,60 10.51,61 4.091,62 0.179,63 1.185,64 13.729,65 5.74,66 20.397,67 7.506,68 0.266,69 1.454,70 18.912,71 7.137,72 26.213,73 9.475,74 0.314,75 1.489,76 21.596,77 8.303,78 33.403,79 11.244,80 0.208,81 1.446,82 22.665,83 8.795,84 32.309,85 12.088,86 0.293,87 1.369,88 23.812,89 8.616,90 36.681,91 12.12,92 0.184,93 1.166,94 20.054,95 7.125,96 26.447,97 10.064,98 0.177,99 1,100 15.695,101 5.349,102 23.651,103 7.428,104 5,105 45,106 0.249,107 0.608,108 0.726,109 0.803,110 0.818,111 0.818,112 3.341,113 0.839,114 -4.88,115 -4.79,116 -4.49,119 45.5,121 1,125 1,139 8,140 2,141 2,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 10,169 2,170 4,172 3,173 3,178 11,181 4,182 5,184 1,185 1,189 10,192 2,193 2,195 3,196 3,197 1,200 2,201 8,205 1,207 4,209 1,210 1,215 8,220 2,221 9,223 1,224 1,229 6,234 7,241 2,246 10,248 1,249 1,251 4,256 4,260 10,265 5,270 5,273 1037,274 18.602,275 18.602,276 18.602,277 18.602,278 18.602,279 15.811,280 23.327,281 10.883,282 18.979,283 15.358,284 15.358,285 15.358,286 15.358,287 15.358,288 11.214,289 35.003,290 5.211,291 16.023,292 3.99,293 1.876,294 1.182,295 0.727,296 0.636,297 0.636,298 4.058,300 1,301 1,302 1,303 585,304 2.449,307 266.078,311 269.593,314 1.372,315 19.683,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 57.5,327 259,328 4.55,329 3.503,330 6.837,331 4.2,332 3.238,333 4.491,334 0.916,335 11.387,336 3.12,337 4.493,338 3.123,339 6.501,340 4.015,341 3.072,342 4.075,343 0.68,344 10.173,345 2.895,346 3.962,347 2.714,348 5.982,349 3.524,350 2.532,351 3.58,352 0.172,353 8.37,354 2.512,355 3.777,356 2.63,357 5.492,358 3.385,359 2.432,360 3.236,362 7.263,363 2.317,364 3.438,365 2.363,366 5.189,367 3.059,368 2.123,369 2.811,371 6.319,372 1.985,373 3.412,374 2.153,375 5.062,376 2.938,377 2.01,378 2.725,380 5.798,381 1.862,382 3.227,383 2.021,384 4.957,385 2.837,386 1.896,387 2.424,389 5.684,390 1.774,391 2.967,392 1.578,393 4.116,394 2.515,395 1.517,396 2.166,398 3.329,399 1.513,400 2.819,401 1.386,402 3.847,403 2.345,404 1.347,405 1.966,407 3.265,408 1.343,409 2.702,410 1.317,411 3.709,412 2.242,413 1.247,414 1.792,415 2.902,416 1.24,417 2.454,418 1.059,419 3.594,420 1.92,421 1.008,422 1.434,423 2.565,424 0.918,425 2.187,426 0.937,427 3.532,428 1.8,429 0.832,430 1.095,431 2.158,432 0.804,433 1.544,434 0.475,435 2.968,436 1.2,437 0.245,438 0.304,439 0.625,440 0.233,441 1.261,442 0.139,443 2.806,444 0.897,445 -0.048,446 -0.061,448 -0.128,449 -0.046,450 0.976,451 -0.219,452 2.649,453 0.538,454 -0.431,455 -0.559,457 -1.091,458 -0.394,459 12.8,460 0.474,461 0.657,462 0.024,463 42.25,464 1.565,465 23.5,466 0.87,467 18.75,468 0.694,469 17.861,470 0.662,471 26.8,472 0.609,473 30.027,474 1.112,475 8.253,476 0.306,477 4.933,478 0.183,479 0.063,481 0.383,485 1.075,486 1.217,487 0.734,488 0.884,489 1.2,490 0.781,491 0.682,492 1.038,493 0.742,494 0.952,495 0.502,496 0.875,497 0.95,498 1.022,499 0.951,500 0.996,501 0.784,502 0.978,503 0.81,504 0.903,505 1.045,506 1.06,507 0.599,508 1.083,509 0.879,510 1.022,511 1.069,512 1.123,513 0.871,514 1.125,515 0.835,516 0.837,517 0.985,518 0.959,519 0.926,520 0.988,521 0.944,522 0.996,523 0.905,524 0.945,525 0.809,526 0.924,527 1.111,528 1.056,529 0.949,530 0.944,531 1.096,532 0.926,533 5,534 0.148,535 2.889,536 2,537 2.138,538 0.646,539 0.422,540 0.391,541 0.337,542 0.178,543 8845,544 22756,545 2.208,546 38.6,547 2,548 10,550 1,551 4,555 1.705,556 2.104,557 3.213,558 1.698,559 1,560 1,564 64.638,565 1.469,566 3.584,567 4.278,568 4.732,569 4.823,570 4.823,571 2.628,572 4.134,573 4.731,574 3.37,575 1182.81,576 8.23,577 14599.8,579 1,581 1,582 240.215,583 1.28,584 4.703,585 0.161,586 0.01,587 0.064,588 0.042,589 0.05,590 0.017,591 0.012,592 0.012,593 0.012,594 0.007,595 0.386,596 0.17,597 0.88,598 0.454,599 131.262,600 -0.163,601 -0.092,602 0.034,603 0.042,604 -0.257,605 0.063,606 0.255,607 0.044,608 0.09,609 -0.011,610 0.226,611 0.01,612 0.073,613 0.036,614 -0.061,615 -0.059,616 0.007,617 -0.076,618 0.125,619 0.097,620 -0.112,621 -0.086,622 0.192,623 -0.126,624 -0.059,625 -0.076,626 -0.112,627 -0.113,628 -0.029,629 -0.119,630 0.058,631 0.086,632 0.035,633 0.056,634 -0.057,635 0.044,636 -0.045,637 -0.071,638 0.111,639 0.067,640 -0.01,641 0.104,642 -0.071,643 -0.07,644 0.038,645 0.019,646 -0.038,647 0.04,648 1.569,649 1.965,650 0.889,651 19.83,652 1.003,653 1.126,654 3.651,655 13.33,656 0.701,657 3.466,658 3.829,659 4.159,660 4.5,661 4.812,662 4.905,663 5.069,664 5.247,665 5.425,666 5.434,667 5.761,668 0.677,669 355.44,670 3.466,671 5.03,672 5.911,673 6.817,674 7.714,675 8.624,676 9.527,677 10.439,678 11.345,679 12.257,680 15.9,684 2,688 1,690 4,694 2,695 9,696 4,700 7,702 23,711 2,714 1,718 44,719 23,720 2,721 31,723 48,724 20,725 18,726 4,727 8,729 5,730 9,736 1,739 1,741 18,742 2,753 1,754 1,757 17,758 7,759 4,760 7,764 7,769 0.4,774 1,776 1,781 5,785 3,802 2,810 27,811 2,816 2,821 1,836 12.833,837 7.917,838 5.75,839 2.492,840 4.634,841 1.564,842 1.08,843 3.659,844 12.849,845 3.773,846 4.449,847 5.088,848 5.726,849 6.349,850 6.629,851 7.057,852 7.516,853 7.977,854 8.18,855 1,856 48,857 9.907,859 4.315,860 7.648,861 18.985,863 16.022,865 2.148,866 58,869 1,870 153.024,871 112.225,872 136.061,877 112.225,878 153.024,879 136.061,881 4.64,882 141.604,883 78.913,884 30.673,885 4.227,886 141.253,888 153.024,889 248.286,893 154.74,897 23.612,898 155.817,899 67.142,901 153.024,902 136.061,903 112.225,906 153.024,907 27.368,908 87.982,910 132.936,911 153.024,912 136.061,913 112.225,915 0.588,916 0.352,917 0.207,918 0.12,919 25,920 10,921 0.042,922 2,923 3,924 1.25,925 3.854,926 252.608,927 0.25,928 24,929 116.382,933 15.977,934 6.183,935 2.748,936 0.878,937 136.061,938 18.578,939 17.112,943 6.071,945 65.794,946 401.311,947 42.5,956 44.131,957 49.564,958 0.269,959 0.656,960 0.784,961 0.867,962 0.883,963 0.883,964 5.016,965 1.517,966 5.905,967 5.684,968 4.511,969 5.136,970 1.232,971 6.758,972 4.427,973 6.245,974 1.347,975 7.483,976 3.329,977 4.111,978 4.956,979 0.325,980 7.703,981 3.972,982 7.568,983 1.247,984 9.16,985 3.265,986 6.138,987 7.404,988 0.869,989 10.854,990 5.968,991 8.926,992 1.008,993 10.897,994 2.902,995 6.553,996 8.037,997 0.393,998 12.635,999 6.326,1000 10.314,1001 0.832,1002 12.674,1003 2.565,1004 8.054,1005 9.954,1006 0.642,1007 15.303,1008 7.798,1009 11.725,1010 0.245,1011 14.477,1012 2.158,1013 8.862,1014 10.997,1015 0.384,1016 17.44,1017 8.552,1018 13.154,1019 -0.048,1020 16.3,1021 0.625,1022 10.148,1023 12.676,1024 0.495,1025 19.94,1026 9.806,1027 3.238,1028 -0.431,1029 18.138,1030 -0.128,1031 11.145,1032 13.933,1033 0.351,1034 22.231,1035 10.752,1036 3.072,1037 11.387,1038 19.988,1039 -1.091,1040 12.345,1041 15.502,1042 0.395,1043 24.672,1044 11.916,1045 2.532,1046 10.173,1047 21.848,1048 4.491,1049 13.43,1050 16.87,1051 0.312,1052 27.031,1053 12.953,1054 2.432,1055 8.37,1056 23.715,1057 4.075,1058 14.599,1059 18.389,1060 0.323,1061 29.452,1062 14.084,1063 2.123,1064 7.263,1065 25.59,1066 3.58,1067 15.723,1068 19.814,1069 0.273,1070 31.842,1071 15.163,1072 2.01,1073 6.319,1074 27.469,1075 3.236,1076 16.882,1077 21.312,1078 0.269,1079 34.259,1080 16.283,1081 1.896,1082 5.798,1083 29.353,1084 2.811,1085 18.025,1086 22.768,1087 0.236,1088 36.663,1089 17.383,1090 8115,1091 13179,1092 21.383,1093 30.847,1094 47.417,1095 47.145,1096 48.09,1097 47.049,1098 47,1099 64.201,1100 3.538,1101 139.673,1102 45.031,1103 5.422,1104 5.503,1105 6.523,1106 5.282,1107 5.238,1108 7.491,1109 1.605,1110 18.919,1111 5.12,1112 9.507,1113 1.53,1114 1.521,1115 1.551,1116 1.518,1117 1.516,1118 2.071,1119 0.114,1120 4.506,1121 1.453,1122 4.087,1123 4.127,1124 4.051,1125 4,1126 5.342,1127 4.003,1128 3.988,1129 4.031,1130 3.961,1131 3.832,1132 4.989,1133 3.865,1134 3.758,1135 3.788,1136 3.686,1137 3.707,1138 4.879,1139 3.698,1140 3.51,1141 3.579,1142 3.444,1143 3.324,1144 4.814,1145 3.345,1146 3.182,1147 3.25,1148 3.071,1149 3.071,1150 4.615,1151 3.056,1152 3.138,1153 3.223,1154 3.011,1155 2.926,1156 4.228,1157 2.946,1158 3.1,1159 3.213,1160 2.992,1161 2.779,1162 4.05,1163 2.822,1164 2.826,1165 2.904,1166 2.706,1167 2.674,1168 3.906,1169 2.655,1170 0.147,1171 0.113,1172 0.221,1173 0.135,1174 0.104,1175 4.55,1176 0.145,1177 3.503,1178 0.03,1179 6.837,1180 0.367,1181 4.2,1182 0.101,1183 3.238,1184 4.491,1185 0.916,1186 11.387,1187 3.12,1188 2.033,1189 2.005,1190 2.125,1191 2.14,1192 1.326,1193 2.131,1194 1.904,1195 1.86,1196 1.945,1197 2.077,1198 1.001,1199 2.05,1200 1.772,1201 1.744,1202 1.902,1203 1.849,1204 0.978,1205 1.869,1206 1.443,1207 1.383,1208 1.601,1209 1.667,1210 0.728,1211 1.652,1212 1.2,1213 1.144,1214 1.457,1215 1.382,1216 0.62,1217 1.393,1218 1.075,1219 1,1220 1.291,1221 1.359,1222 0.261,1223 1.364,1224 0.98,1225 0.874,1226 1.256,1227 1.336,1228 0.165,1229 1.328,1230 0.817,1231 0.754,1232 1.109,1233 1.031,1234 0.125,1235 1.056,1236 4.143,1238 5.493,1240 7.057,1242 8.724,1244 10.444,1250 11.605,1252 1.493,1257 2.262,1262 29.784,1263 64.638,1264 157.686,1265 188.215,1266 208.215,1267 212.215,1268 212.215,1269 30.648,1270 8.215,1271 106.84,1272 106.84,1273 30,1274 12.771,1275 4.585,1276 3.644,1277 35.616,1278 93,1279 98,1280 0.187,1281 181.009,1282 297.12,1283 433.422,1284 45576,1286 18.38,1287 0.681,1288 0.537,1289 18.38,1290 14.501,1291 13.187,1292 0.425,1293 0.28,1294 8.562,1295 12.772,1296 8.395,1297 6.931,1298 13.187,1299 8.668,1300 12.209,1301 0.271,1302 0.145,1303 12.209,1304 6.521,1305 10.614,1306 0.168,1307 0.076,1308 10.614,1309 4.767,1310 9.611,1311 0.108,1312 0.04,1313 9.611,1314 3.574,1315 8.371,1316 0.069,1317 0.021,1318 8.371,1319 2.618,1320 0.287,1321 81.914,1322 0.216,1323 25.37,1324 0.535,1325 152,1326 396.85,1327 164.961,1328 399.547,1329 570.07,1330 376,1331 184,1332 447.127,1333 197.822,1334 456.189,1335 673.73,1336 431,1337 7.569}
{0 CHEMBL145005,1 1.582,2 10.727,3 1.97,4 3.881,5 86.732,6 7.929,7 0.708,8 3.73,9 3.856,10 3.343,11 3.26,12 4.968,13 3.265,14 4.164,15 4.323,16 3.673,17 3.603,18 5.395,19 3.589,20 4.317,21 4.488,22 3.693,23 3.702,24 5.479,25 3.669,26 4.37,27 4.584,28 3.522,29 3.638,30 5.527,31 3.553,32 4.321,33 4.581,34 3.301,35 3.517,36 5.331,37 3.408,38 4.134,39 4.38,40 3.146,41 3.365,42 5.141,43 3.258,44 3.999,45 4.244,46 3.073,47 3.24,48 4.979,49 3.148,50 3.855,51 4.079,52 3.081,53 3.109,54 4.938,55 3.054,56 0.058,57 0.583,58 6.77,59 2.82,60 11.093,61 3.546,62 0.23,63 0.861,64 11.856,65 4.863,66 23.397,67 6.116,68 0.147,69 0.987,70 13.83,71 5.311,72 18.415,73 6.974,74 0.273,75 0.992,76 15.998,77 6.022,78 35.029,79 8.187,80 0.201,81 0.889,82 16.795,83 5.672,84 29.89,85 8.253,86 0.161,87 0.731,88 13.641,89 4.879,90 24.132,91 6.903,92 0.139,93 0.638,94 11.963,95 4.264,96 18.655,97 6.037,98 0.089,99 0.57,100 9.831,101 3.502,102 14.553,103 4.934,104 11,105 33,106 0.283,107 0.645,108 0.774,109 0.84,110 0.849,111 0.849,112 3.146,113 0.833,114 -4.07,115 -4.02,116 -3.8,119 43.2,124 1,134 2,139 5,140 3,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 9,169 2,170 6,172 3,173 3,175 1,178 10,180 1,182 6,187 1,189 9,191 1,192 1,193 4,195 3,196 3,197 1,198 2,200 2,201 6,204 2,205 1,207 4,212 2,215 5,218 2,221 5,226 2,229 4,231 2,234 5,239 2,241 2,243 2,246 5,251 3,256 3,259 1,260 5,265 3,270 3,273 628,274 14.903,275 14.903,276 14.903,277 14.903,278 14.903,279 12.737,280 10.638,281 8.74,282 15.316,283 11.782,284 11.782,285 11.782,286 11.782,287 11.782,288 8.464,289 12.151,290 4.104,291 12.365,292 3.627,293 1.598,294 0.875,295 0.507,296 0.453,297 0.453,298 3.829,300 1,301 1,302 1,303 506,304 2.55,307 185.24,311 97.065,314 1.57,315 16.602,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47.5,327 236,328 4.543,329 3.11,330 6.502,331 4.038,332 3.079,333 4.494,334 0.86,335 10.175,336 2.959,337 4.068,338 2.86,339 5.496,340 3.64,341 2.66,342 3.678,344 7.384,345 2.611,346 3.81,347 2.495,348 5.31,349 3.379,350 2.414,351 3.291,353 6.871,354 2.331,355 3.528,356 2.315,357 5.091,358 3.116,359 2.167,360 2.867,362 6.222,363 2.048,364 3.426,365 2.134,366 5.061,367 2.963,368 2.029,369 2.811,371 5.8,372 1.888,373 3.355,374 1.992,375 4.961,376 2.876,377 1.946,378 2.668,380 5.73,381 1.802,382 2.5,383 1.158,384 3.71,385 2,386 1.01,387 1.5,389 2.565,390 1,391 2.499,392 1.058,393 3.414,394 1.946,395 1,396 1.446,398 2.275,399 0.943,400 2.421,401 1,402 3.293,403 1.799,404 0.834,405 1.233,407 1.875,408 0.8,409 1.671,410 0.719,411 2.807,412 1.357,413 0.468,414 0.549,415 0.772,416 0.412,417 1.41,418 0.125,419 2.671,420 0.951,421 0.021,422 0.028,423 0.049,424 0.019,425 0.976,426 -0.219,427 2.531,428 0.519,429 -0.414,430 -0.529,431 -0.91,432 -0.382,433 0.855,434 -0.302,435 2.37,436 0.451,437 -0.483,438 -0.609,439 -1.166,440 -0.451,441 0.597,442 -0.678,443 2.05,444 0.139,445 -0.814,446 -1.063,448 -2.025,449 -0.754,450 0.5,451 -0.756,452 2,453 0.1,454 -0.843,455 -1.146,457 -2.42,458 -0.812,459 10.333,460 0.47,461 0.52,462 0.024,463 33.5,464 1.523,465 19,466 0.864,467 14.5,468 0.659,469 12.347,470 0.561,471 22.667,472 0.613,473 22.76,474 1.035,475 6.85,476 0.311,477 3.802,478 0.173,479 0.126,481 0.339,485 1.05,486 1.177,487 0.774,488 0.936,489 1.275,490 0.821,491 0.935,492 0.795,493 0.763,494 0.839,495 0.611,496 0.805,497 1.1,498 1.269,499 1,500 1.122,501 0.923,502 1.059,503 0.773,504 0.97,505 1.109,506 1.164,507 0.825,508 1.195,509 0.783,510 0.948,511 1.006,512 0.979,513 0.948,514 1.008,515 0.842,516 0.956,517 1.023,518 1.026,519 0.969,520 1.048,521 0.835,522 0.943,523 0.92,524 0.955,525 0.828,526 0.952,527 0.853,528 1.197,529 0.833,530 1.081,531 0.737,532 0.973,533 5,534 0.132,535 2.222,536 1.063,537 1.48,538 0.472,539 0.221,540 0.311,541 0.164,542 0.107,543 5336,544 15487,545 2.07,546 40.5,548 10,550 1,551 4,555 1.638,556 1.941,557 3.368,558 1.87,559 1,560 1,562 1,564 58.537,565 1.582,566 3.612,567 4.335,568 4.703,569 4.757,570 4.757,571 2.88,572 4.278,573 4.43,574 3.498,575 808.036,576 7.576,577 9046.22,578 1,579 1,581 1,582 192.75,583 1.395,584 4.392,585 0.208,586 0.012,587 0.067,588 0.032,589 0.057,590 0.022,591 0.012,592 0.018,593 0.01,594 0.007,595 0.447,596 0.5,597 1,598 0.797,599 102.682,600 -0.157,601 -0.029,602 0.014,603 0.039,604 -0.328,605 0.061,606 0.14,607 0.276,608 0.107,609 0.149,610 0.216,611 0.112,612 -0.171,613 -0.213,614 -0.131,615 -0.146,616 -0.115,617 -0.135,618 0.093,619 0.032,620 -0.177,621 -0.191,622 0.095,623 -0.233,624 -0.069,625 -0.013,626 -0.011,627 0.009,628 -0.033,629 0.015,630 -0.078,631 -0.032,632 -0.043,633 -0.017,634 -0.093,635 -0.021,636 -0.047,637 -0.025,638 0.067,639 0.057,640 -0.042,641 0.078,642 0.009,643 -0.243,644 0.134,645 -0.09,646 0.141,647 0.023,648 1.543,649 1.856,650 0.727,651 18.231,652 1.007,653 1.129,654 2.837,655 8.048,656 0.684,657 3.219,658 3.526,659 3.761,660 3.989,661 4.234,662 4.22,663 4.234,664 4.304,665 4.419,666 4.369,667 6.066,668 0.661,669 293.36,670 3.219,671 4.745,672 5.58,673 6.444,674 7.295,675 8.163,676 9.02,677 9.889,678 10.75,679 11.621,680 13.5,684 2,690 3,694 2,695 6,696 3,700 5,702 17,711 2,716 1,718 37,719 18,720 1,721 24,723 39,724 16,725 13,726 2,727 4,728 2,729 3,730 4,741 15,742 1,744 1,749 2,753 1,754 1,757 15,758 6,759 4,760 6,764 5,769 0.667,770 1,775 1,776 1,781 3,785 1,795 2,802 2,806 1,810 22,811 2,818 1,829 2.7,834 1,836 11.333,837 6.85,838 4.889,839 1.9,840 3.946,841 1.571,842 1.01,843 3.897,844 10.859,845 3.541,846 4.19,847 4.818,848 5.424,849 6.044,850 6.339,851 6.715,852 7.139,853 7.593,854 7.816,855 1,856 33,857 8.015,859 3.316,860 7.78,861 15.053,863 11.84,865 2.28,866 50.167,870 129.482,871 106.394,872 116.151,874 11,877 106.394,878 140.482,879 116.151,880 10.883,882 132.128,883 62.128,884 35.95,885 4.227,886 117.711,888 129.482,889 222.545,890 11,893 131.197,894 11,897 10.947,898 140.574,899 69.309,901 129.482,902 127.151,903 106.394,906 129.482,907 20.13,908 86.264,910 127.151,911 129.482,912 127.151,913 106.394,915 0.579,916 0.335,917 0.176,918 0.099,919 16,920 7,921 0.077,922 3,923 1,924 1.125,925 3.505,926 166.281,927 0.125,928 16,929 94.107,933 14.295,934 5.997,935 3.179,936 1.178,937 127.151,938 11.37,939 12.259,943 3.242,945 65.794,946 363.027,947 33.5,952 3.931,956 37.254,957 41.777,958 0.304,959 0.693,960 0.832,961 0.903,962 0.913,963 0.913,964 4.747,965 1,966 5.557,967 2.565,968 4.205,969 4.875,970 0.908,971 6.326,972 4.118,973 5.975,974 0.834,975 7.091,976 2.275,977 3.761,978 4.691,980 7.125,981 3.635,982 7.284,983 0.468,984 8.717,985 1.875,986 5.765,987 7.153,988 0.739,989 10.178,990 5.608,991 8.63,992 0.021,993 10.396,994 0.772,995 6.089,996 7.773,998 11.78,999 5.891,1000 10.002,1001 -0.414,1002 12.11,1003 0.049,1004 7.573,1005 9.701,1006 0.593,1007 14.366,1008 7.352,1009 11.395,1010 -0.483,1011 13.848,1012 -0.91,1013 8.274,1014 10.734,1016 16.35,1017 8.011,1018 12.805,1019 -0.814,1020 15.605,1021 -1.166,1022 9.536,1023 12.424,1024 0.469,1025 18.771,1026 9.249,1027 3.079,1028 -0.843,1029 17.378,1030 -2.025,1031 10.437,1032 13.684,1034 20.94,1035 10.106,1036 2.66,1037 10.175,1038 19.166,1039 -2.42,1040 11.604,1041 15.263,1042 0.366,1043 23.298,1044 11.245,1045 2.414,1046 7.384,1047 20.966,1048 4.494,1049 12.609,1050 16.642,1052 25.551,1053 12.206,1054 2.167,1055 6.871,1056 22.776,1057 3.678,1058 13.737,1059 18.172,1060 0.283,1061 27.885,1062 13.301,1063 2.029,1064 6.222,1065 24.596,1066 3.291,1067 14.796,1068 19.612,1070 30.175,1071 14.316,1072 1.946,1073 5.8,1074 26.424,1075 2.867,1076 15.911,1077 21.122,1078 0.217,1079 32.501,1080 15.395,1081 1.01,1082 5.73,1083 28.26,1084 2.811,1085 16.997,1086 22.593,1088 34.807,1089 16.439,1090 5188,1091 8956,1092 16.008,1093 25.29,1094 35.752,1095 35.622,1096 36.293,1097 35.232,1098 35.255,1099 49.129,1100 1.72,1101 99.436,1102 33.626,1103 5.16,1104 5.11,1105 6.057,1106 5.113,1107 5.079,1108 7.494,1109 1.72,1110 17.069,1111 4.959,1112 10.418,1113 1.49,1114 1.484,1115 1.512,1116 1.468,1117 1.469,1118 2.047,1119 0.072,1120 4.143,1121 1.401,1122 4.06,1123 4.099,1124 4.035,1125 3.957,1126 5.325,1127 3.968,1128 3.908,1129 3.932,1130 3.854,1131 3.828,1132 4.983,1133 3.832,1134 3.538,1135 3.591,1136 3.478,1137 3.393,1138 4.889,1139 3.407,1140 3.286,1141 3.345,1142 3.17,1143 3.056,1144 4.812,1145 3.077,1146 3.113,1147 3.226,1148 3.003,1149 2.87,1150 4.452,1151 2.87,1152 3.096,1153 3.182,1154 2.923,1155 2.81,1156 4.208,1157 2.845,1158 2.854,1159 2.925,1160 2.687,1161 2.735,1162 4.018,1163 2.715,1164 2.723,1165 2.808,1166 2.588,1167 2.535,1168 3.748,1169 2.542,1170 0.189,1171 0.13,1172 0.271,1173 0.168,1174 0.128,1175 4.543,1176 0.187,1177 3.11,1178 0.036,1179 6.502,1180 0.424,1181 4.038,1182 0.123,1183 3.079,1184 4.494,1185 0.86,1186 10.175,1187 2.959,1188 1.991,1189 1.963,1190 2.061,1191 2.12,1192 1.149,1193 2.099,1194 1.887,1195 1.862,1196 1.974,1197 1.987,1198 1.052,1199 1.989,1200 1.485,1201 1.441,1202 1.627,1203 1.675,1204 0.635,1205 1.663,1206 1.22,1207 1.157,1208 1.548,1209 1.516,1210 0.555,1211 1.528,1212 1.081,1213 0.997,1214 1.33,1215 1.381,1216 0.254,1217 1.367,1218 0.995,1219 0.897,1220 1.259,1221 1.311,1222 0.218,1223 1.32,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1229 1.107,1230 0.679,1231 0.609,1232 0.96,1233 0.945,1235 0.952,1236 3.892,1238 5.198,1240 6.706,1242 8.305,1244 9.954,1246 1.644,1250 11.411,1254 5.131,1262 24.456,1263 58.537,1264 133.63,1265 160.385,1266 173.995,1267 175.995,1268 175.995,1269 26.18,1270 6.913,1271 99.94,1272 99.94,1273 18,1274 12.165,1275 4.248,1276 3.392,1277 34.768,1278 80,1279 86,1280 0.214,1281 153.689,1282 255.61,1283 366.761,1284 8904,1286 15.527,1287 0.706,1288 0.547,1289 15.527,1290 12.023,1291 10.652,1292 0.444,1293 0.278,1294 6.557,1295 10.23,1296 6.382,1297 5.348,1298 10.652,1299 6.664,1300 9.529,1301 0.289,1302 0.143,1303 9.529,1304 4.713,1305 7.894,1306 0.188,1307 0.076,1308 7.894,1309 3.203,1310 6.433,1311 0.121,1312 0.039,1313 6.433,1314 2.067,1315 5.234,1316 0.077,1317 0.02,1318 5.234,1319 1.383,1320 0.34,1321 66.877,1322 0.25,1323 22.009,1324 0.569,1325 114,1326 339.295,1327 125.038,1328 335.413,1329 464.85,1330 314,1331 132,1332 350.334,1333 142.318,1334 359.537,1335 519.11,1336 336,1337 4.928}
{0 CHEMBL145068,1 1.617,2 10.875,3 2.398,4 5.751,5 92.079,6 7.568,7 0.654,8 3.873,9 3.998,10 3.444,11 3.349,12 5.062,13 3.356,14 4.358,15 4.531,16 3.774,17 3.704,18 5.502,19 3.691,20 4.497,21 4.665,22 3.855,23 3.842,24 5.614,25 3.809,26 4.622,27 4.832,28 3.746,29 3.848,30 5.715,31 3.768,32 4.662,33 4.908,34 3.514,35 3.782,36 5.602,37 3.668,38 4.505,39 4.753,40 3.32,41 3.651,42 5.412,43 3.514,44 4.445,45 4.74,46 3.268,47 3.501,48 5.277,49 3.374,50 4.195,51 4.439,52 3.307,53 3.343,54 5.206,55 3.277,56 0.069,57 0.656,58 8.742,59 3.468,60 11.575,61 4.59,62 0.326,63 0.97,64 16.295,65 6.023,66 29.181,67 7.831,68 0.274,69 1.134,70 17.992,71 6.572,72 22.623,73 9.094,74 0.339,75 1.194,76 21.729,77 7.856,78 40.587,79 10.901,80 0.432,81 1.127,82 24.665,83 7.753,84 43.171,85 11.159,86 0.287,87 0.979,88 20.566,89 6.963,90 34.234,91 10.144,92 0.292,93 0.86,94 20.971,95 6.475,96 32.593,97 9.905,98 0.23,99 0.719,100 15.227,101 4.868,102 24.225,103 7.186,104 21,105 36,106 0.282,107 0.631,108 0.753,109 0.817,110 0.842,111 0.85,112 3.228,113 0.864,114 -3.89,115 -3.85,116 -3.65,119 39.5,121 2,124 2,139 4,140 3,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 8,169 2,170 6,172 3,173 3,175 1,178 8,180 1,181 1,182 8,187 1,189 7,191 1,192 1,193 6,195 3,196 3,197 1,198 2,200 2,201 5,204 2,205 1,207 5,212 2,215 4,218 2,221 6,226 2,229 3,231 2,234 5,239 2,241 1,243 2,245 1,246 6,251 3,256 3,259 1,260 3,265 2,270 2,273 754,274 16.273,275 16.273,276 16.273,277 16.273,278 16.273,279 14.213,280 19.265,281 9.449,282 16.851,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.461,289 19.689,290 4.317,291 13.45,292 3.809,293 1.804,294 1.105,295 0.733,296 0.593,297 0.547,298 3.91,300 1,301 1,302 1,303 554,304 2.828,307 207.503,311 109.017,314 1.563,315 20.942,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52.5,327 261,328 4.541,329 3.21,330 6.502,331 4.039,332 3.079,333 4.491,334 0.86,335 10.175,336 2.96,337 4.265,338 3.127,339 6.165,340 3.854,341 2.899,342 3.91,343 0.86,344 9.125,345 2.768,346 3.782,347 2.709,348 5.367,349 3.418,350 2.447,351 3.237,353 7.013,354 2.374,355 3.547,356 2.456,357 5.192,358 3.179,359 2.216,360 2.866,362 6.494,363 2.128,364 3.427,365 2.183,366 5.062,367 2.965,368 2.031,369 2.811,371 5.8,372 1.889,373 3.356,374 2.162,375 4.964,376 2.877,377 1.947,378 2.678,380 5.735,381 1.802,382 2.919,383 2.032,384 4.365,385 2.521,386 1.609,387 2.057,389 4.124,390 1.461,391 2.454,392 1.164,393 3.71,394 1.946,395 1.01,396 1.435,398 2.565,399 0.943,400 2.05,401 1.058,402 3.314,403 1.814,404 0.854,405 0.988,407 1.907,408 0.814,409 1.804,410 0.937,411 3.012,412 1.521,413 0.603,414 0.702,415 1.144,416 0.549,417 1.471,418 0.783,419 2.753,420 1.194,421 0.34,422 0.371,423 0.467,424 0.288,425 1.337,426 0.251,427 2.609,428 0.951,429 0.021,430 0.027,431 0.049,432 0.019,433 0.976,434 -0.06,435 2.51,436 0.527,437 -0.403,438 -0.495,439 -0.81,440 -0.37,441 0.828,442 -0.293,443 2.415,444 0.456,445 -0.468,446 -0.587,448 -1.156,449 -0.429,450 0.598,451 -0.38,452 2.232,453 0.186,454 -0.756,455 -0.91,457 -1.878,458 -0.698,459 11.167,460 0.465,461 0.571,462 0.024,463 34,464 1.417,465 18,466 0.75,467 16,468 0.667,469 16.514,470 0.688,471 26.033,472 0.605,473 23.953,474 0.998,475 6.854,476 0.286,477 4.747,478 0.198,479 0.161,481 0.358,485 1.011,486 1.313,487 0.804,488 1.096,489 1.173,490 0.929,491 1.101,492 0.79,493 0.782,494 0.805,495 0.706,496 0.769,497 0.9,498 1.31,499 0.946,500 1.17,501 0.827,502 1.08,503 0.842,504 1.062,505 1.079,506 1.238,507 0.785,508 1.216,509 1.23,510 0.941,511 1.187,512 0.996,513 1.151,514 1.078,515 0.911,516 1.046,517 1.181,518 1.173,519 1.075,520 1.22,521 0.746,522 0.778,523 0.777,524 0.789,525 0.722,526 0.784,527 0.852,528 1.037,529 0.77,530 0.94,531 0.728,532 0.86,533 5.5,534 0.169,535 2.667,536 1.5,537 1.791,538 0.535,539 0.303,540 0.342,541 0.176,542 0.192,543 6534,544 18960,545 2.04,546 44.2,547 4,548 10,550 1,551 4,555 1.664,556 1.895,557 3.403,558 1.819,559 1,560 1,562 1,564 69.522,565 1.617,566 3.622,567 4.321,568 4.693,569 4.833,570 4.88,571 2.872,572 4.168,573 4.559,574 3.539,575 976.854,576 7.841,577 11707.1,579 1,581 1,582 233.329,583 1.459,584 4.507,585 0.212,586 0.011,587 0.074,588 0.039,589 0.056,590 0.021,591 0.015,592 0.017,593 0.008,594 0.01,595 0.464,596 0.17,597 1,598 0.921,599 115.344,600 -0.122,601 -0.095,602 0.031,603 -0.03,604 -0.215,605 0.029,606 0.027,607 0.288,608 0.147,609 0.226,610 0.177,611 0.196,612 0.017,613 -0.202,614 -0.057,615 -0.132,616 -0.013,617 -0.108,618 0.035,619 -0.029,620 -0.152,621 -0.228,622 0.1,623 -0.234,624 -0.226,625 -0.01,626 -0.199,627 -0.011,628 -0.215,629 -0.089,630 -0.129,631 -0.102,632 -0.226,633 -0.165,634 -0.229,635 -0.206,636 0.02,637 0.072,638 0.243,639 0.194,640 0.076,641 0.255,642 0.081,643 -0.108,644 0.219,645 0.055,646 0.181,647 0.145,648 1.537,649 1.902,650 0.667,651 20.153,652 1.008,653 1.135,654 2.665,655 7.1,656 0.657,657 3.296,658 3.611,659 3.871,660 4.111,661 4.331,662 4.317,663 4.344,664 4.407,665 4.522,666 4.522,667 6.312,668 0.633,669 325.41,670 3.296,671 4.828,672 5.673,673 6.547,674 7.407,675 8.282,676 9.146,677 10.021,678 10.889,679 11.764,680 11.6,684 2,690 3,694 2,695 5,696 3,700 6,702 17,711 2,716 2,718 43,719 17,720 1,721 26,723 45,724 17,725 13,726 3,727 3,729 3,730 4,739 2,741 13,742 4,753 1,754 1,757 19,758 7,759 4,760 7,764 5,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 2,818 2,829 4.7,834 2,836 12.667,837 8.267,838 5.417,839 2.282,840 3.345,841 1.472,842 0.984,843 4.786,844 10.44,845 3.57,846 4.22,847 4.834,848 5.43,849 6.016,850 6.238,851 6.526,852 6.852,853 7.262,854 7.322,855 1,856 38,857 8.776,859 3.613,860 7.764,861 16.581,863 13.069,865 2.264,866 54.333,869 1,870 176.567,871 99.161,872 116.151,874 22,877 99.161,878 198.566,879 116.151,880 21.766,881 5.069,882 103.699,883 62.128,884 52.193,885 4.227,886 164.795,888 176.567,889 215.312,890 22,893 178.282,894 22,897 16.016,898 147.224,899 50.357,901 176.567,902 138.151,903 99.161,906 176.567,907 30.442,908 68.719,910 138.151,911 176.567,912 138.151,913 99.161,915 0.577,916 0.347,917 0.19,918 0.102,919 17,920 8,921 0.111,922 5,923 1,924 1.125,925 3.616,926 189.081,927 0.125,928 16,929 110.039,933 16.43,934 6.991,935 3.581,936 1.226,937 138.151,938 9.647,939 12.38,943 4.117,945 65.794,946 413.878,947 34.5,956 43.349,957 48.817,958 0.298,959 0.667,960 0.796,961 0.865,962 0.891,963 0.899,964 4.79,965 1.01,966 5.659,967 4.124,968 4.29,969 4.905,970 1.376,971 6.457,972 4.188,973 6.015,974 0.854,975 7.213,976 2.565,977 3.892,978 4.808,980 7.322,981 3.754,982 7.334,983 0.603,984 8.86,985 1.907,986 5.878,987 7.19,988 1.159,989 10.383,990 5.697,991 8.69,992 0.34,993 10.561,994 1.144,995 6.256,996 7.878,998 12.036,999 6.032,1000 10.074,1001 0.021,1002 12.296,1003 0.467,1004 7.722,1005 9.755,1006 0.963,1007 14.621,1008 7.467,1009 11.478,1010 -0.403,1011 14.054,1012 0.049,1013 8.471,1014 10.833,1016 16.626,1017 8.169,1018 12.897,1019 -0.468,1020 15.83,1021 -0.81,1022 9.723,1023 12.494,1024 0.787,1025 19.037,1026 9.392,1027 3.079,1028 -0.756,1029 17.619,1030 -1.156,1031 10.657,1032 13.775,1034 21.203,1035 10.276,1036 2.899,1037 10.175,1038 19.421,1039 -1.878,1040 11.818,1041 15.338,1042 0.634,1043 23.546,1044 11.407,1045 2.447,1046 9.125,1047 21.231,1048 4.491,1049 12.842,1050 16.724,1052 25.786,1053 12.383,1054 2.216,1055 7.013,1056 23.05,1057 3.91,1058 13.967,1059 18.244,1060 0.504,1061 28.104,1062 13.474,1063 2.031,1064 6.494,1065 24.875,1066 3.237,1067 15.034,1068 19.683,1070 30.378,1071 14.496,1072 1.947,1073 5.8,1074 26.706,1075 2.866,1076 16.146,1077 21.185,1078 0.395,1079 32.687,1080 15.571,1081 1.609,1082 5.735,1083 28.542,1084 2.811,1085 17.234,1086 22.651,1088 34.978,1089 16.616,1090 6403,1091 11024,1092 17.107,1093 28.267,1094 38.06,1095 38.975,1096 39.921,1097 38.033,1098 38.11,1099 51.144,1100 3.44,1101 109.197,1102 35.991,1103 5.369,1104 5.21,1105 6.056,1106 5.113,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.96,1112 12.74,1113 1.464,1114 1.499,1115 1.535,1116 1.463,1117 1.466,1118 1.967,1119 0.132,1120 4.2,1121 1.384,1122 4.062,1123 4.102,1124 4.033,1125 3.951,1126 5.324,1127 3.964,1128 3.924,1129 3.944,1130 3.877,1131 3.833,1132 4.982,1133 3.842,1134 3.558,1135 3.616,1136 3.477,1137 3.394,1138 4.93,1139 3.407,1140 3.311,1141 3.373,1142 3.191,1143 3.083,1144 4.808,1145 3.103,1146 3.247,1147 3.314,1148 3.051,1149 2.952,1150 4.496,1151 2.96,1152 3.118,1153 3.226,1154 3.003,1155 2.874,1156 4.33,1157 2.872,1158 3.103,1159 3.201,1160 2.917,1161 2.81,1162 4.169,1163 2.845,1164 2.795,1165 2.875,1166 2.636,1167 2.644,1168 3.933,1169 2.628,1170 0.175,1171 0.123,1172 0.25,1173 0.155,1174 0.118,1175 4.541,1176 0.173,1177 3.21,1178 0.033,1179 6.502,1180 0.391,1181 4.039,1182 0.114,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.96,1188 1.991,1189 1.96,1190 2.076,1191 2.125,1192 1.291,1193 2.106,1194 1.889,1195 1.869,1196 1.971,1197 2.003,1198 1.073,1199 1.997,1200 1.51,1201 1.458,1202 1.691,1203 1.716,1204 0.836,1205 1.712,1206 1.245,1207 1.184,1208 1.576,1209 1.527,1210 0.575,1211 1.54,1212 1.191,1213 1.115,1214 1.55,1215 1.522,1216 0.569,1217 1.531,1218 1.096,1219 1.006,1220 1.382,1221 1.385,1222 0.367,1223 1.392,1224 0.996,1225 0.898,1226 1.265,1227 1.352,1228 0.158,1229 1.35,1230 0.809,1231 0.738,1232 1.099,1233 1.011,1234 0.059,1235 1.042,1236 3.97,1238 5.283,1240 6.801,1242 8.416,1244 10.079,1246 3.251,1250 11.486,1252 1.644,1254 10.583,1262 27.224,1263 69.522,1264 155.746,1265 185.82,1266 201.82,1267 207.82,1268 209.82,1269 33.55,1270 7.095,1271 109.17,1272 109.17,1273 18,1274 12.305,1275 4.17,1276 3.248,1277 39.521,1278 93,1279 82,1280 0.212,1281 170.205,1282 284.34,1283 407.06,1284 11138,1286 17.104,1287 0.713,1288 0.567,1289 17.104,1290 13.614,1291 11.601,1292 0.446,1293 0.288,1294 7.341,1295 11.03,1296 7.114,1297 5.955,1298 11.601,1299 7.489,1300 10.25,1301 0.285,1302 0.149,1303 10.25,1304 5.371,1305 8.647,1306 0.184,1307 0.081,1308 8.647,1309 3.805,1310 7.228,1311 0.12,1312 0.043,1313 7.228,1314 2.557,1315 5.784,1316 0.077,1317 0.024,1318 5.784,1319 1.763,1320 0.337,1321 73.684,1322 0.242,1323 23.613,1324 0.567,1325 124,1326 385.031,1327 137.917,1328 370.738,1329 510.06,1330 348,1331 145,1332 378.88,1333 158.751,1334 387.252,1335 561.02,1336 360,1337 6.215}
{0 CHEMBL145169,1 1.667,2 11,3 1.937,4 3.752,5 99.658,6 7.854,7 0.607,8 3.927,9 4.042,10 3.526,11 3.381,12 5.164,13 3.405,14 4.391,15 4.553,16 3.852,17 3.711,18 5.587,19 3.727,20 4.476,21 4.607,22 3.974,23 3.855,24 5.7,25 3.86,26 4.625,27 4.798,28 3.931,29 3.887,30 5.833,31 3.854,32 4.722,33 4.928,34 3.715,35 3.86,36 5.783,37 3.794,38 4.613,39 4.831,40 3.465,41 3.78,42 5.6,43 3.655,44 4.584,45 4.885,46 3.401,47 3.625,48 5.419,49 3.492,50 4.294,51 4.524,52 3.473,53 3.441,54 5.355,55 3.397,56 0.108,57 0.674,58 8.63,59 3.594,60 12.921,61 4.472,62 0.441,63 0.97,64 16.664,65 5.952,66 34.879,67 7.262,68 0.406,69 1.124,70 16.093,71 6.197,72 23.912,73 7.939,74 0.45,75 1.212,76 20.199,77 7.753,78 40.509,79 10.071,80 0.633,81 1.188,82 25.338,83 8.006,84 51.208,85 10.409,86 0.419,87 1.086,88 22.075,89 8.016,90 38.912,91 10.874,92 0.372,93 0.969,94 24.879,95 7.955,96 39.091,97 12.133,98 0.362,99 0.779,100 16.844,101 5.46,102 29.576,103 7.73,104 35,105 39,106 0.286,107 0.631,108 0.719,109 0.763,110 0.781,111 0.813,112 3.304,113 0.827,114 -3.31,115 -3.29,116 -3.16,119 40,124 3,134 2,139 3,140 3,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 7,169 2,170 6,172 3,173 3,175 1,178 7,180 1,181 2,182 8,187 1,189 5,191 1,192 2,193 8,195 3,196 3,197 1,198 2,200 2,201 4,204 2,205 1,207 6,212 2,215 3,218 2,221 7,226 2,229 2,231 2,234 5,239 2,243 2,245 2,246 7,251 3,256 3,259 1,260 1,265 1,270 1,273 920,274 17.643,275 17.643,276 17.643,277 17.643,278 17.643,279 15.477,280 16.476,281 10.181,282 18.387,283 13.619,284 13.619,285 13.619,286 13.619,287 13.619,288 10.101,289 18.829,290 4.557,291 14.54,292 3.825,293 1.818,294 1.307,295 1.051,296 0.945,297 0.761,298 3.985,300 1,301 1,302 1,303 602,304 3.082,307 229.767,311 120.969,314 1.538,315 24.662,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 57.5,327 286,328 4.543,329 3.366,330 6.523,331 4.041,332 3.081,333 4.494,334 0.86,335 10.257,336 2.961,337 4.424,338 3.11,339 6.502,340 4.006,341 3.058,342 4.115,343 0.86,344 10.174,345 2.896,346 3.851,347 2.555,348 5.381,349 3.426,350 2.452,351 3.324,352 0.86,353 7.048,354 2.387,355 3.593,356 2.497,357 5.218,358 3.185,359 2.22,360 2.963,362 6.571,363 2.14,364 3.427,365 2.316,366 5.19,367 2.972,368 2.061,369 2.811,371 6.118,372 1.889,373 3.363,374 2.137,375 5.062,376 2.965,377 2.031,378 2.689,380 5.801,381 1.867,382 3.355,383 2.006,384 4.965,385 2.877,386 1.947,387 2.604,389 5.738,390 1.802,391 2.509,392 1.912,393 3.811,394 2.017,395 1.173,396 1.45,398 2.565,399 0.985,400 2.43,401 1.059,402 3.71,403 1.944,404 1.008,405 1.323,407 2.532,408 0.94,409 2.133,410 1.037,411 3.227,412 1.676,413 0.717,414 1.012,415 1.598,416 0.684,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.439,426 0.72,427 2.744,428 1.161,429 0.315,430 0.34,431 0.416,432 0.265,433 1.384,434 0.176,435 2.58,436 0.95,437 0.021,438 0.028,439 0.049,440 0.019,441 0.976,442 0.009,443 2.492,444 0.534,445 -0.392,446 -0.482,448 -0.767,449 -0.357,450 0.866,451 -0.298,452 2.439,453 0.458,454 -0.461,455 -0.586,457 -1.154,458 -0.42,459 12,460 0.462,461 0.622,462 0.024,463 37.5,464 1.442,465 20,466 0.769,467 17.5,468 0.673,469 17.516,470 0.674,471 28.2,472 0.627,473 28.767,474 1.106,475 7.85,476 0.302,477 4.7,478 0.181,479 0.192,481 0.375,485 1.012,486 1.334,487 0.771,488 1.127,489 1.188,490 0.922,491 1.285,492 0.694,493 0.761,494 0.663,495 0.853,496 0.631,497 0.898,498 1.318,499 0.885,500 1.135,501 0.862,502 1.021,503 0.822,504 1.104,505 0.992,506 1.266,507 0.724,508 1.188,509 1.538,510 0.932,511 1.299,512 0.976,513 1.266,514 1.082,515 1.022,516 1.116,517 1.304,518 1.286,519 1.096,520 1.359,521 0.513,522 0.782,523 0.648,524 0.819,525 0.531,526 0.771,527 0.863,528 0.973,529 0.724,530 0.881,531 0.67,532 0.803,533 6,534 0.206,535 2.889,536 2.063,537 2.182,538 0.653,539 0.384,540 0.373,541 0.188,542 0.278,543 7796,544 24075,545 2.014,546 42.2,548 14,550 1,551 4,555 1.688,556 1.857,557 3.402,558 1.773,559 1,560 1,564 75,565 1.667,566 3.674,567 4.185,568 4.441,569 4.547,570 4.73,571 2.844,572 4.162,573 4.676,574 3.56,575 1157.13,576 8.087,577 14653.3,579 1,581 1,582 247.133,583 1.502,584 4.615,585 0.214,586 0.01,587 0.074,588 0.048,589 0.056,590 0.021,591 0.017,592 0.016,593 0.008,594 0.012,595 0.476,596 0.17,597 1,598 0.998,599 127.934,600 -0.13,601 -0.134,602 0.033,603 -0.074,604 -0.264,605 0.011,606 -0.083,607 0.364,608 0.175,609 0.348,610 0.086,611 0.307,612 0.076,613 -0.171,614 -0.039,615 -0.101,616 -0.026,617 -0.088,618 0.115,619 -0.039,620 -0.093,621 -0.249,622 0.175,623 -0.226,624 -0.346,625 0.015,626 -0.307,627 0.01,628 -0.257,629 -0.119,630 -0.176,631 -0.171,632 -0.359,633 -0.252,634 -0.278,635 -0.336,636 0.132,637 0.035,638 0.398,639 0.195,640 0.205,641 0.333,642 0.107,643 -0.059,644 0.281,645 0.123,646 0.222,647 0.215,648 1.566,649 1.899,650 0.615,651 22.059,652 1.015,653 1.134,654 2.078,655 4.319,656 0.66,657 3.367,658 3.689,659 3.97,660 4.234,661 4.443,662 4.431,663 4.466,664 4.511,665 4.615,666 4.654,667 6.467,668 0.643,669 353.42,670 3.367,671 4.905,672 5.759,673 6.642,674 7.512,675 8.396,676 9.27,677 10.154,678 11.029,679 11.913,680 11.1,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 3,718 45,719 18,720 1,721 28,723 47,724 18,725 13,726 4,727 2,728 2,729 3,730 4,741 15,742 3,744 1,749 2,753 1,754 1,757 19,758 8,759 4,760 8,764 5,769 0.667,770 3,775 1,776 1,781 3,785 1,795 2,802 2,806 3,810 26,811 2,818 3,829 6.7,834 3,836 14,837 9.017,838 5.944,839 2.219,840 4.013,841 1.553,842 0.972,843 5.326,844 11.267,845 3.651,846 4.304,847 4.954,848 5.568,849 6.166,850 6.481,851 6.853,852 7.247,853 7.702,854 8,855 1,856 43,857 9.481,859 3.878,860 7.827,861 17.671,863 13.624,865 2.327,866 60.5,870 176.567,871 119.695,872 116.151,874 33,877 119.695,878 209.566,879 116.151,880 32.649,882 113.176,883 62.128,884 68.437,885 4.227,886 164.795,888 176.567,889 235.846,890 33,893 178.282,894 33,897 10.947,898 153.875,899 69.309,901 176.567,902 149.151,903 119.695,906 176.567,907 30.617,908 89.078,910 149.151,911 176.567,912 149.151,913 119.695,915 0.574,916 0.355,917 0.202,918 0.109,919 18,920 9,921 0.106,922 5,923 1,924 1.125,925 3.713,926 213.724,927 0.125,928 16,929 114.211,933 18.075,934 7.661,935 3.779,936 1.103,937 149.151,938 7.239,939 12.302,943 3.813,945 65.794,946 445.412,947 37.5,952 3.796,956 45.676,957 51.026,958 0.303,959 0.669,960 0.762,961 0.809,962 0.828,963 0.861,964 4.877,965 1.173,966 5.753,967 5.738,968 4.369,969 4.99,970 1.693,971 6.575,972 4.254,973 6.112,974 1.008,975 7.322,976 2.565,977 4.007,978 4.913,980 7.496,981 3.861,982 7.439,983 0.717,984 8.986,985 2.532,986 5.979,987 7.292,988 1.454,989 10.577,990 5.779,991 8.803,992 0.396,993 10.705,994 1.598,995 6.399,996 8.004,998 12.288,999 6.155,1000 10.195,1001 0.315,1002 12.458,1003 0.603,1004 7.854,1005 9.872,1006 1.232,1007 14.899,1008 7.573,1009 11.608,1010 0.021,1011 14.235,1012 0.416,1013 8.643,1014 10.969,1016 16.957,1017 8.311,1018 13.037,1019 -0.392,1020 16.03,1021 0.049,1022 9.893,1023 12.621,1024 1.028,1025 19.398,1026 9.527,1027 3.081,1028 -0.461,1029 17.839,1030 -0.767,1031 10.861,1032 13.915,1034 21.609,1035 10.441,1036 3.058,1037 10.257,1038 19.66,1039 -1.154,1040 12.03,1041 15.472,1042 0.845,1043 23.981,1044 11.573,1045 2.452,1046 10.174,1047 21.491,1048 4.494,1049 13.081,1050 16.864,1052 26.257,1053 12.572,1054 2.22,1055 7.048,1056 23.329,1057 4.115,1058 14.218,1059 18.379,1060 0.684,1061 28.602,1062 13.668,1063 2.061,1064 6.571,1065 25.174,1066 3.324,1067 15.307,1068 19.819,1070 30.905,1071 14.707,1072 2.031,1073 6.118,1074 27.024,1075 2.963,1076 16.432,1077 21.317,1078 0.546,1079 33.239,1080 15.79,1081 1.947,1082 5.801,1083 28.879,1084 2.811,1085 17.539,1086 22.782,1088 35.554,1089 16.847,1090 7690,1091 13638,1092 18.205,1093 29.722,1094 41.235,1095 42.158,1096 43.609,1097 40.836,1098 40.963,1099 55.206,1100 5.16,1101 118.942,1102 38.355,1103 5.167,1104 5.366,1105 6.066,1106 5.115,1107 5.081,1108 7.494,1109 1.72,1110 17.178,1111 4.961,1112 14.929,1113 1.473,1114 1.506,1115 1.557,1116 1.458,1117 1.463,1118 1.972,1119 0.184,1120 4.248,1121 1.37,1122 4.063,1123 4.1,1124 4.038,1125 3.958,1126 5.325,1127 3.971,1128 3.93,1129 3.942,1130 3.898,1131 3.829,1132 4.986,1133 3.844,1134 3.549,1135 3.598,1136 3.49,1137 3.397,1138 4.977,1139 3.415,1140 3.303,1141 3.355,1142 3.188,1143 3.07,1144 4.823,1145 3.093,1146 3.293,1147 3.353,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.207,1153 3.284,1154 3.003,1155 2.902,1156 4.475,1157 2.903,1158 3.109,1159 3.224,1160 2.984,1161 2.83,1162 4.381,1163 2.851,1164 3.039,1165 3.127,1166 2.853,1167 2.803,1168 4.14,1169 2.811,1170 0.162,1171 0.12,1172 0.233,1173 0.144,1174 0.11,1175 4.543,1176 0.16,1177 3.366,1178 0.031,1179 6.523,1180 0.366,1181 4.041,1182 0.106,1183 3.081,1184 4.494,1185 0.86,1186 10.257,1187 2.961,1188 1.99,1189 1.963,1190 2.05,1191 2.12,1192 1.151,1193 2.098,1194 1.878,1195 1.864,1196 1.945,1197 1.999,1198 1.053,1199 1.982,1200 1.488,1201 1.448,1202 1.634,1203 1.684,1204 0.642,1205 1.671,1206 1.227,1207 1.166,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.569,1215 1.518,1216 0.57,1217 1.533,1218 1.163,1219 1.077,1220 1.509,1221 1.477,1222 0.53,1223 1.494,1224 1.033,1225 0.944,1226 1.303,1227 1.379,1228 0.23,1229 1.362,1230 0.991,1231 0.894,1232 1.252,1233 1.261,1234 0.09,1235 1.28,1236 4.043,1238 5.361,1240 6.889,1242 8.517,1244 10.197,1246 4.717,1250 11.484,1254 16.045,1262 28.939,1263 75,1264 165.32,1265 188.339,1266 199.849,1267 204.604,1268 212.869,1269 38.458,1270 7.255,1271 118.4,1272 118.4,1273 18,1274 12.447,1275 4.248,1276 3.392,1277 44.513,1278 104,1279 90,1280 0.214,1281 180.866,1282 307.79,1283 433.073,1284 13420,1286 18.681,1287 0.719,1288 0.565,1289 18.681,1290 14.685,1291 12.55,1292 0.448,1293 0.276,1294 7.532,1295 11.83,1296 7.268,1297 6.122,1298 12.55,1299 7.722,1300 10.98,1301 0.282,1302 0.138,1303 10.98,1304 5.399,1305 9.353,1306 0.18,1307 0.073,1308 9.353,1309 3.775,1310 8.033,1311 0.118,1312 0.037,1313 8.033,1314 2.55,1315 6.45,1316 0.077,1317 0.02,1318 6.45,1319 1.716,1320 0.339,1321 80.491,1322 0.234,1323 25.137,1324 0.579,1325 134,1326 450.766,1327 150.795,1328 428.035,1329 586.89,1330 402,1331 158,1332 433.425,1333 175.183,1334 442.958,1335 642.75,1336 410,1337 4.889}
{0 CHEMBL145528,1 1.565,2 10.727,3 2.415,4 5.83,5 85.615,6 7.574,7 0.708,8 3.774,9 3.906,10 3.349,11 3.289,12 4.958,13 3.285,14 4.247,15 4.42,16 3.682,17 3.651,18 5.402,19 3.622,20 4.422,21 4.611,22 3.706,23 3.767,24 5.495,25 3.713,26 4.503,27 4.734,28 3.543,29 3.726,30 5.57,31 3.617,32 4.469,33 4.746,34 3.324,35 3.613,36 5.375,37 3.478,38 4.271,39 4.527,40 3.174,41 3.442,42 5.203,43 3.322,44 4.139,45 4.396,46 3.1,47 3.313,48 5.064,49 3.208,50 4,51 4.253,52 3.095,53 3.183,54 4.995,55 3.103,56 0.048,57 0.612,58 7.808,59 3.089,60 10.497,61 4.139,62 0.229,63 0.917,64 13.986,65 5.505,66 24.105,67 7.288,68 0.138,69 1.067,70 16.789,71 6.151,72 19.519,73 8.625,74 0.285,75 1.086,76 19.514,77 7.023,78 38.376,79 10.005,80 0.213,81 0.981,82 20.227,83 6.619,84 31.828,85 10.049,86 0.2,87 0.805,88 16.275,89 5.346,90 27.964,91 7.852,92 0.18,93 0.704,94 14.342,95 4.639,96 22.468,97 6.821,98 0.103,99 0.625,100 12.246,101 4.045,102 17.788,103 6.04,104 11,105 33,106 0.278,107 0.64,108 0.764,109 0.826,110 0.844,111 0.844,112 3.146,113 0.87,114 -4.14,115 -4.09,116 -3.87,119 41,121 2,124 1,139 5,140 3,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 9,169 2,170 6,172 3,173 3,175 1,178 10,180 1,182 6,187 1,189 9,191 1,192 1,193 4,195 3,196 3,197 1,198 2,200 2,201 6,204 2,205 1,207 4,212 2,215 5,218 2,221 5,226 2,229 4,231 2,234 5,239 2,241 2,243 2,246 5,251 3,256 3,259 1,260 5,265 3,270 3,273 628,274 14.903,275 14.903,276 14.903,277 14.903,278 14.903,279 12.843,280 16.346,281 8.74,282 15.316,283 11.782,284 11.782,285 11.782,286 11.782,287 11.782,288 8.644,289 15.092,290 4.104,291 12.365,292 3.72,293 1.68,294 0.984,295 0.635,296 0.532,297 0.532,298 3.829,300 1,301 1,302 1,303 506,304 2.55,307 185.24,311 97.065,314 1.57,315 17.169,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47.5,327 236,328 4.541,329 3.13,330 6.502,331 4.038,332 3.079,333 4.491,334 0.86,335 10.175,336 2.959,337 4.039,338 2.907,339 5.496,340 3.64,341 2.66,342 3.636,344 7.384,345 2.611,346 3.771,347 2.681,348 5.31,349 3.379,350 2.414,351 3.233,353 6.871,354 2.331,355 3.484,356 2.453,357 5.091,358 3.116,359 2.167,360 2.811,362 6.222,363 2.048,364 3.426,365 2.17,366 5.061,367 2.963,368 2.029,369 2.781,371 5.8,372 1.888,373 3.351,374 2.033,375 4.961,376 2.876,377 1.946,378 2.666,380 5.73,381 1.802,382 2.5,383 1.207,384 3.71,385 2,386 1.01,387 1.5,389 2.565,390 1,391 2.454,392 1.058,393 3.414,394 1.946,395 1,396 1.435,398 2.275,399 0.943,400 2.007,401 1,402 3.293,403 1.799,404 0.834,405 0.945,407 1.875,408 0.8,409 1.64,410 0.783,411 2.807,412 1.357,413 0.468,414 0.528,415 0.772,416 0.412,417 1.342,418 0.239,419 2.671,420 0.951,421 0.021,422 0.027,423 0.049,424 0.019,425 0.976,426 -0.159,427 2.531,428 0.519,429 -0.414,430 -0.522,431 -0.91,432 -0.382,433 0.82,434 -0.302,435 2.37,436 0.451,437 -0.483,438 -0.6,439 -1.166,440 -0.451,441 0.573,442 -0.573,443 2.05,444 0.139,445 -0.814,446 -1.027,448 -2.025,449 -0.754,450 0.5,451 -0.732,452 2,453 0.1,454 -0.843,455 -1.127,457 -2.42,458 -0.812,459 10.333,460 0.47,461 0.52,462 0.024,463 32,464 1.455,465 17.5,466 0.795,467 14.5,468 0.659,469 13.94,470 0.634,471 23.267,472 0.597,473 21.168,474 0.962,475 6.354,476 0.289,477 4.298,478 0.195,479 0.126,481 0.339,485 1.036,486 1.233,487 0.809,488 0.999,489 1.215,490 0.88,491 0.887,492 0.842,493 0.787,494 0.897,495 0.573,496 0.858,497 1.02,498 1.283,499 1.003,500 1.163,501 0.872,502 1.096,503 0.739,504 0.995,505 1.107,506 1.188,507 0.782,508 1.209,509 0.735,510 0.946,511 0.989,512 0.992,513 0.919,514 1.013,515 1.031,516 0.94,517 1.1,518 1.005,519 1.145,520 1.053,521 1.059,522 0.912,523 1.013,524 0.921,525 0.989,526 0.954,527 0.811,528 1.116,529 0.807,530 1.01,531 0.751,532 0.92,533 5,534 0.132,535 2.222,536 1.063,537 1.48,538 0.472,539 0.221,540 0.311,541 0.164,542 0.107,543 5336,544 14866,545 2.07,546 43.6,547 4,548 8,550 1,551 4,555 1.638,556 1.941,557 3.368,558 1.87,559 1,560 1,562 1,564 61.034,565 1.565,566 3.605,567 4.302,568 4.651,569 4.753,570 4.753,571 2.88,572 4.278,573 4.43,574 3.498,575 808.036,576 7.576,577 9046.22,578 1,579 1,581 1,582 206.131,583 1.395,584 4.392,585 0.208,586 0.012,587 0.067,588 0.032,589 0.057,590 0.022,591 0.012,592 0.018,593 0.01,594 0.007,595 0.447,596 0.33,597 1,598 0.797,599 102.682,600 -0.138,601 -0.041,602 0.022,603 0.029,604 -0.24,605 0.054,606 0.159,607 0.242,608 0.115,609 0.125,610 0.25,611 0.102,612 -0.128,613 -0.223,614 -0.104,615 -0.152,616 -0.076,617 -0.131,618 0.094,619 0.003,620 -0.166,621 -0.199,622 0.107,623 -0.229,624 -0.046,625 -0.026,626 -0.006,627 -0.006,628 -0.054,629 0.004,630 -0.153,631 -0.003,632 -0.121,633 -0.02,634 -0.217,635 -0.056,636 -0.137,637 0.02,638 -0.024,639 0.062,640 -0.128,641 0.042,642 0.03,643 -0.182,644 0.175,645 -0.021,646 0.15,647 0.085,648 1.525,649 1.88,650 0.727,651 18.231,652 1.004,653 1.133,654 2.913,655 8.483,656 0.668,657 3.219,658 3.526,659 3.761,660 3.989,661 4.234,662 4.22,663 4.234,664 4.304,665 4.419,666 4.369,667 6.066,668 0.641,669 295.38,670 3.219,671 4.745,672 5.58,673 6.444,674 7.295,675 8.163,676 9.02,677 9.889,678 10.75,679 11.621,680 12.8,684 2,690 3,694 2,695 6,696 3,700 5,702 17,711 2,716 1,718 39,719 17,720 1,721 24,723 41,724 16,725 13,726 2,727 4,729 3,730 4,739 2,741 13,742 3,753 1,754 1,757 17,758 6,759 4,760 6,764 5,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 1,810 22,811 2,816 2,818 1,829 2.6,834 1,836 11.333,837 7.183,838 4.889,839 2.122,840 3.313,841 1.479,842 1.003,843 4.072,844 10.226,845 3.512,846 4.159,847 4.76,848 5.355,849 5.958,850 6.167,851 6.462,852 6.807,853 7.218,854 7.236,855 1,856 33,857 8.044,859 3.334,860 7.735,861 15.271,863 12.177,865 2.235,866 49.167,870 153.024,871 92.511,872 116.151,874 11,877 92.511,878 164.024,879 116.151,880 10.883,881 5.069,882 113.176,883 62.128,884 35.95,885 4.227,886 141.253,888 153.024,889 208.662,890 11,893 154.74,894 11,897 16.016,898 140.574,899 50.357,901 153.024,902 127.151,903 92.511,906 153.024,907 25.199,908 67.312,910 127.151,911 153.024,912 127.151,913 92.511,915 0.579,916 0.335,917 0.176,918 0.099,919 16,920 7,921 0.098,922 4,923 1,924 1.125,925 3.505,926 166.281,927 0.125,928 16,929 92.107,933 14.544,934 6.16,935 3.283,936 1.264,937 127.151,938 11.82,939 12.359,943 3.689,945 65.794,946 372.686,947 32.5,956 39.138,957 44.192,958 0.296,959 0.682,960 0.814,961 0.88,962 0.899,963 0.899,964 4.721,965 1,966 5.557,967 2.565,968 4.205,969 4.844,970 0.908,971 6.326,972 4.118,973 5.941,974 0.834,975 7.091,976 2.275,977 3.761,978 4.691,980 7.125,981 3.635,982 7.251,983 0.468,984 8.717,985 1.875,986 5.765,987 7.115,988 0.739,989 10.178,990 5.608,991 8.597,992 0.021,993 10.396,994 0.772,995 6.089,996 7.754,998 11.78,999 5.891,1000 9.969,1001 -0.414,1002 12.11,1003 0.049,1004 7.573,1005 9.664,1006 0.593,1007 14.366,1008 7.352,1009 11.362,1010 -0.483,1011 13.848,1012 -0.91,1013 8.274,1014 10.708,1016 16.35,1017 8.011,1018 12.772,1019 -0.814,1020 15.605,1021 -1.166,1022 9.536,1023 12.392,1024 0.469,1025 18.771,1026 9.249,1027 3.079,1028 -0.843,1029 17.378,1030 -2.025,1031 10.437,1032 13.658,1034 20.94,1035 10.106,1036 2.66,1037 10.175,1038 19.166,1039 -2.42,1040 11.604,1041 15.235,1042 0.366,1043 23.298,1044 11.245,1045 2.414,1046 7.384,1047 20.966,1048 4.491,1049 12.609,1050 16.618,1052 25.551,1053 12.206,1054 2.167,1055 6.871,1056 22.776,1057 3.636,1058 13.737,1059 18.149,1060 0.283,1061 27.885,1062 13.301,1063 2.029,1064 6.222,1065 24.596,1066 3.233,1067 14.796,1068 19.591,1070 30.175,1071 14.316,1072 1.946,1073 5.8,1074 26.424,1075 2.811,1076 15.911,1077 21.102,1078 0.217,1079 32.501,1080 15.395,1081 1.01,1082 5.73,1083 28.26,1084 2.781,1085 16.997,1086 22.574,1088 34.807,1089 16.439,1090 5188,1091 8775,1092 16.008,1093 26.051,1094 35.343,1095 35.765,1096 36.293,1097 35.232,1098 35.255,1099 48.104,1100 1.72,1101 99.436,1102 33.626,1103 5.365,1104 5.13,1105 6.057,1106 5.113,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.959,1112 10.418,1113 1.473,1114 1.49,1115 1.512,1116 1.468,1117 1.469,1118 2.004,1119 0.072,1120 4.143,1121 1.401,1122 4.06,1123 4.101,1124 4.031,1125 3.951,1126 5.324,1127 3.963,1128 3.913,1129 3.94,1130 3.853,1131 3.833,1132 4.982,1133 3.836,1134 3.552,1135 3.612,1136 3.471,1137 3.392,1138 4.868,1139 3.403,1140 3.302,1141 3.364,1142 3.174,1143 3.074,1144 4.806,1145 3.09,1146 3.131,1147 3.23,1148 3.003,1149 2.878,1150 4.382,1151 2.876,1152 3.106,1153 3.214,1154 2.928,1155 2.81,1156 4.176,1157 2.846,1158 2.854,1159 2.925,1160 2.687,1161 2.735,1162 3.939,1163 2.715,1164 2.77,1165 2.857,1166 2.623,1167 2.578,1168 3.674,1169 2.583,1170 0.189,1171 0.13,1172 0.271,1173 0.168,1174 0.128,1175 4.541,1176 0.187,1177 3.13,1178 0.036,1179 6.502,1180 0.424,1181 4.038,1182 0.123,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.959,1188 1.992,1189 1.96,1190 2.082,1191 2.125,1192 1.29,1193 2.106,1194 1.894,1195 1.868,1196 1.983,1197 1.997,1198 1.073,1199 2,1200 1.509,1201 1.455,1202 1.691,1203 1.709,1204 0.836,1205 1.707,1206 1.238,1207 1.174,1208 1.56,1209 1.527,1210 0.572,1211 1.535,1212 1.109,1213 1.018,1214 1.39,1215 1.392,1216 0.374,1217 1.405,1218 0.996,1219 0.898,1220 1.266,1221 1.364,1222 0.218,1223 1.352,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1228 0.08,1229 1.107,1230 0.736,1231 0.661,1232 1.017,1233 0.995,1235 1.007,1236 3.892,1238 5.198,1240 6.706,1242 8.305,1244 9.954,1246 1.662,1250 11.449,1252 1.77,1254 5.155,1262 24.983,1263 61.034,1264 140.605,1265 167.766,1266 181.376,1267 185.376,1268 185.376,1269 27.696,1270 6.913,1271 99.94,1272 99.94,1273 18,1274 12.165,1275 4.17,1276 3.248,1277 34.768,1278 80,1279 86,1280 0.214,1281 156.616,1282 258.25,1283 373.904,1284 8904,1286 15.527,1287 0.706,1288 0.558,1289 15.527,1290 12.283,1291 10.652,1292 0.444,1293 0.29,1294 6.853,1295 10.23,1296 6.671,1297 5.568,1298 10.652,1299 6.96,1300 9.529,1301 0.289,1302 0.152,1303 9.529,1304 5.03,1305 7.894,1306 0.188,1307 0.084,1308 7.894,1309 3.516,1310 6.433,1311 0.121,1312 0.044,1313 6.433,1314 2.313,1315 5.234,1316 0.077,1317 0.024,1318 5.234,1319 1.599,1320 0.34,1321 66.877,1322 0.25,1323 22.009,1324 0.569,1325 114,1326 329.295,1327 125.038,1328 324.452,1329 449.05,1330 304,1331 132,1332 337.334,1333 142.318,1334 345.602,1335 499.37,1336 323,1337 6.585}
{0 CHEMBL145691,1 1.573,2 10.875,3 2.728,4 7.442,5 97.495,6 7.01,7 0.462,8 3.951,9 4.089,10 3.455,11 3.397,12 5.054,13 3.39,14 4.483,15 4.673,16 3.792,17 3.788,18 5.518,19 3.75,20 4.695,21 4.9,22 3.88,23 3.959,24 5.656,25 3.891,26 4.832,27 5.075,28 3.778,29 3.976,30 5.785,31 3.863,32 4.859,33 5.13,34 3.553,35 3.909,36 5.695,37 3.765,38 4.712,39 4.987,40 3.36,41 3.783,42 5.522,43 3.615,44 4.643,45 4.955,46 3.3,47 3.633,48 5.374,49 3.472,50 4.383,51 4.643,52 3.336,53 3.453,54 5.286,55 3.361,56 0.057,57 0.705,58 10.815,59 3.845,60 12.043,61 5.59,62 0.315,63 1.066,64 19.825,65 6.963,66 30.873,67 9.721,68 0.285,69 1.294,70 24.387,71 8.093,72 25.674,73 12.265,74 0.386,75 1.358,76 28.879,77 9.352,78 46.281,79 14.075,80 0.468,81 1.273,82 30.784,83 8.832,84 46.786,85 13.916,86 0.316,87 1.11,88 26.162,89 8.116,90 39.937,91 12.724,92 0.313,93 0.956,94 25.218,95 7.476,96 33.951,97 11.942,98 0.276,99 0.788,100 19.013,101 5.613,102 27.147,103 8.679,104 21,105 36,106 0.272,107 0.608,108 0.783,109 0.845,110 0.852,111 0.86,112 3.228,113 0.92,114 -4.05,115 -4,116 -3.79,119 36.2,121 3,122 1,124 2,125 1,139 3,140 2,141 2,144 2,147 1,157 2,158 2,159 2,166 8,169 1,170 4,172 3,173 4,175 3,178 8,180 1,181 1,182 6,187 3,189 7,191 1,193 5,195 1,196 2,197 3,198 3,200 4,201 5,204 2,205 1,207 4,212 3,215 4,218 2,221 4,226 4,229 3,231 2,234 4,239 3,241 1,243 2,246 6,249 1,251 3,256 3,260 3,263 1,265 2,270 2,273 754,274 16.273,275 16.273,276 16.273,277 16.273,278 16.273,279 14.72,280 25.076,281 9.449,282 16.851,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 10.226,289 33.126,290 4.317,291 13.45,292 3.982,293 2.037,294 1.027,295 0.67,296 0.628,297 0.585,298 3.91,300 1,301 1,302 1,303 554,304 2.828,307 207.503,311 109.017,314 1.563,315 20.881,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 52.5,327 261,328 4.417,329 3.249,330 6.502,331 4.039,332 3.079,333 4.091,334 0.86,335 10.175,336 2.96,337 4.264,338 3.207,339 6.165,340 3.854,341 2.899,342 3.909,343 0.86,344 9.125,345 2.768,346 3.617,347 2.629,348 5.367,349 3.418,350 2.447,351 2.883,352 0.4,353 7.013,354 2.374,355 3.517,356 2.427,357 5.192,358 3.179,359 2.216,360 2.822,362 6.494,363 2.128,364 3.325,365 2.207,366 5.062,367 2.965,368 2.031,369 2.563,371 5.8,372 1.889,373 3.193,374 2.177,375 4.964,376 2.877,377 1.947,378 2.274,380 5.735,381 1.802,382 2.919,383 2.066,384 4.365,385 2.521,386 1.609,387 2.057,389 4.124,390 1.461,391 2.096,392 1.36,393 3.71,394 1.946,395 1.01,396 1.071,398 2.565,399 0.943,400 2.01,401 1.167,402 3.314,403 1.814,404 0.854,405 0.955,407 1.907,408 0.814,409 1.749,410 0.937,411 3.012,412 1.521,413 0.603,414 0.677,415 1.144,416 0.549,417 1.452,418 0.79,419 2.753,420 1.194,421 0.34,422 0.368,423 0.467,424 0.288,425 1.226,426 0.302,427 2.609,428 0.951,429 0.021,430 0.024,431 0.049,432 0.019,433 0.888,434 -0.047,435 2.51,436 0.527,437 -0.403,438 -0.481,439 -0.81,440 -0.37,441 0.786,442 -0.283,443 2.415,444 0.456,445 -0.468,446 -0.564,448 -1.156,449 -0.429,450 0.585,451 -0.421,452 2.232,453 0.186,454 -0.756,455 -0.859,457 -1.878,458 -0.698,459 11.167,460 0.465,461 0.571,462 0.024,463 30.5,464 1.271,465 14.5,466 0.604,467 16,468 0.667,469 19.561,470 0.815,471 27.233,472 0.579,473 20.906,474 0.871,475 5.94,476 0.247,477 5.661,478 0.236,479 0.161,481 0.358,485 1.042,486 1.389,487 0.882,488 1.17,489 1.161,490 1.01,491 1.058,492 0.897,493 0.861,494 0.933,495 0.657,496 0.892,497 0.83,498 1.3,499 0.97,500 1.199,501 0.762,502 1.117,503 0.828,504 1.051,505 1.084,506 1.204,507 0.803,508 1.191,509 1.187,510 0.933,511 1.171,512 0.982,513 1.228,514 1.062,515 0.878,516 1.025,517 1.145,518 1.134,519 1.129,520 1.175,521 0.752,522 0.787,523 0.787,524 0.806,525 0.751,526 0.801,527 1.06,528 1.014,529 0.853,530 0.932,531 0.853,532 0.881,533 5.5,534 0.169,535 2.667,536 1.5,537 1.791,538 0.535,539 0.303,540 0.342,541 0.176,542 0.192,543 6534,544 17538,545 2.04,546 48.9,547 6,548 11,551 5,553 1,555 1.664,556 1.895,557 3.403,558 2.661,559 1,560 1,564 73.927,565 1.573,566 3.518,567 4.528,568 4.884,569 4.927,570 4.969,571 2.872,572 4.168,573 4.559,574 3.539,575 976.854,576 7.841,577 11707.1,579 1,581 1,582 261.066,583 1.459,584 4.507,585 0.212,586 0.011,587 0.074,588 0.039,589 0.056,590 0.021,591 0.015,592 0.017,593 0.008,594 0.01,595 0.464,596 0.17,597 1,598 0.921,599 115.344,600 -0.117,601 -0.079,602 0.035,603 -0.017,604 -0.152,605 0.037,606 0.04,607 0.232,608 0.101,609 0.149,610 0.208,611 0.125,612 0.038,613 -0.184,614 -0.034,615 -0.121,616 0.02,617 -0.091,618 0.024,619 -0.011,620 -0.134,621 -0.189,622 0.064,623 -0.193,624 -0.21,625 0.011,626 -0.191,627 -0.019,628 -0.259,629 -0.09,630 -0.117,631 -0.074,632 -0.196,633 -0.139,634 -0.228,635 -0.174,636 0.014,637 0.051,638 0.186,639 0.151,640 0.018,641 0.195,642 0.015,643 -0.099,644 0.14,645 0.054,646 0.075,647 0.106,648 1.456,649 1.98,650 0.667,651 20.153,652 1.002,653 1.141,654 2.822,655 7.963,656 0.634,657 3.296,658 3.611,659 3.871,660 4.111,661 4.331,662 4.317,663 4.344,664 4.407,665 4.522,666 4.522,667 6.312,668 0.602,669 329.45,670 3.296,671 4.828,672 5.673,673 6.547,674 7.407,675 8.282,676 9.146,677 10.021,678 10.889,679 11.764,680 10.6,684 2,685 1,690 2,695 3,696 2,700 7,702 12,711 2,712 1,716 2,718 47,719 12,720 1,721 26,723 49,724 17,725 10,726 3,727 3,729 3,730 4,736 1,737 1,739 3,741 10,742 7,743 1,753 1,754 1,757 23,758 7,759 5,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 4,817 1,818 2,820 1,829 4.3,834 2,836 12.667,837 8.733,838 5.417,839 2.603,840 2.245,841 1.316,842 0.97,843 5.187,844 9.34,845 3.497,846 4.078,847 4.61,848 5.118,849 5.597,850 5.652,851 5.673,852 5.799,853 6.069,854 6.208,855 1,856 38,857 8.82,859 3.646,860 7.688,861 16.946,863 13.698,865 2.188,866 52.5,869 1,870 211.88,871 83.317,872 117.376,874 22,877 83.317,878 233.88,879 117.376,880 21.766,881 9.709,882 94.223,883 51.582,884 38.858,885 6.555,886 211.88,888 211.88,889 200.693,890 22,893 200.109,894 33.771,897 11.608,898 137.503,899 51.582,901 211.88,902 139.376,903 83.317,906 211.88,907 33.122,908 50.195,909 18.011,910 121.365,911 211.88,912 139.376,913 83.317,915 0.577,916 0.347,917 0.19,918 0.102,919 17,920 8,921 0.102,922 5,923 1,924 1.125,925 3.616,926 189.081,927 0.125,928 16,929 110.039,933 16.957,934 7.342,935 3.801,937 139.376,938 6.044,939 8.27,943 5.144,945 83.805,946 434.573,947 32,956 47.116,957 53.647,958 0.283,959 0.633,960 0.815,961 0.879,962 0.887,963 0.895,964 4.736,965 1.01,966 5.659,967 4.124,968 4.29,969 4.762,970 1.454,971 6.457,972 4.188,973 5.931,974 0.854,975 7.213,976 2.565,977 3.892,978 4.62,980 7.322,981 3.754,982 7.237,983 0.603,984 8.86,985 1.907,986 5.878,987 6.928,988 1.175,989 10.383,990 5.697,991 8.575,992 0.34,993 10.561,994 1.144,995 6.256,996 7.556,998 12.036,999 6.032,1000 9.942,1001 0.021,1002 12.296,1003 0.467,1004 7.722,1005 9.378,1006 0.966,1007 14.621,1008 7.467,1009 11.33,1010 -0.403,1011 14.054,1012 0.049,1013 8.471,1014 10.371,1016 16.626,1017 8.169,1018 12.733,1019 -0.468,1020 15.83,1021 -0.81,1022 9.723,1023 11.985,1024 0.788,1025 19.037,1026 9.392,1027 3.079,1028 -0.756,1029 17.619,1030 -1.156,1031 10.657,1032 13.166,1034 21.203,1035 10.276,1036 2.899,1037 10.175,1038 19.421,1039 -1.878,1040 11.818,1041 14.677,1042 0.634,1043 23.546,1044 11.407,1045 2.447,1046 9.125,1047 21.231,1048 4.091,1049 12.842,1050 15.956,1052 25.786,1053 12.383,1054 2.216,1055 7.013,1056 23.05,1057 3.909,1058 13.967,1059 17.414,1060 0.504,1061 28.104,1062 13.474,1063 2.031,1064 6.494,1065 24.875,1066 2.883,1067 15.034,1068 18.746,1070 30.378,1071 14.496,1072 1.947,1073 5.8,1074 26.706,1075 2.822,1076 16.146,1077 20.176,1078 0.395,1079 32.687,1080 15.571,1081 1.609,1082 5.735,1083 28.542,1084 2.563,1085 17.234,1086 21.536,1088 34.978,1089 16.616,1090 6403,1091 10587,1092 17.107,1093 29.79,1094 38.042,1095 39.129,1096 39.921,1097 38.033,1098 38.11,1099 47.387,1100 4.24,1101 109.197,1102 35.991,1103 5.362,1104 5.249,1105 6.056,1106 5.113,1107 5.079,1108 7.091,1109 1.72,1110 17.069,1111 4.96,1112 12.74,1113 1.463,1114 1.505,1115 1.535,1116 1.463,1117 1.466,1118 1.823,1119 0.163,1120 4.2,1121 1.384,1122 4.006,1123 4.051,1124 3.948,1125 3.899,1126 5.286,1127 3.902,1128 3.908,1129 3.935,1130 3.865,1131 3.79,1132 4.978,1133 3.804,1134 3.594,1135 3.658,1136 3.486,1137 3.424,1138 4.929,1139 3.433,1140 3.323,1141 3.389,1142 3.185,1143 3.094,1144 4.531,1145 3.107,1146 3.247,1147 3.314,1148 3.051,1149 2.952,1150 4.496,1151 2.96,1152 3.131,1153 3.243,1154 2.997,1155 2.874,1156 4.326,1157 2.871,1158 3.119,1159 3.216,1160 2.922,1161 2.839,1162 4.069,1163 2.862,1164 2.864,1165 2.984,1166 2.664,1167 2.65,1168 3.824,1169 2.639,1170 0.17,1171 0.125,1172 0.25,1173 0.155,1174 0.118,1175 4.417,1176 0.157,1177 3.249,1178 0.033,1179 6.502,1180 0.391,1181 4.039,1182 0.114,1183 3.079,1184 4.091,1185 0.86,1186 10.175,1187 2.96,1188 1.947,1189 1.916,1190 2.085,1191 2.089,1192 1.428,1193 2.085,1194 1.865,1195 1.832,1196 1.967,1197 1.998,1198 1.148,1199 1.989,1200 1.548,1201 1.493,1202 1.71,1203 1.762,1204 0.855,1205 1.755,1206 1.268,1207 1.203,1208 1.576,1209 1.549,1210 0.644,1211 1.559,1212 1.191,1213 1.115,1214 1.571,1215 1.523,1216 0.574,1217 1.539,1218 1.109,1219 1.015,1220 1.451,1221 1.398,1222 0.558,1223 1.416,1224 1.043,1225 0.942,1226 1.335,1227 1.382,1228 0.425,1229 1.383,1230 0.834,1231 0.748,1232 1.205,1233 1.172,1234 0.18,1235 1.203,1236 3.97,1238 5.283,1240 6.801,1242 8.416,1244 10.079,1246 3.292,1250 11.619,1252 3.71,1253 3.316,1254 10.634,1256 0.472,1262 28.278,1263 73.927,1264 165.343,1265 212.801,1266 229.556,1267 231.556,1268 233.556,1269 36.096,1270 7.095,1271 108.31,1272 108.31,1273 18,1274 12.305,1275 3.7,1276 2.807,1277 39.521,1278 93,1279 82,1280 0.212,1281 176.06,1282 300.52,1283 421.346,1284 11138,1286 17.104,1287 0.713,1288 0.583,1289 17.104,1290 14.003,1291 11.601,1292 0.446,1293 0.307,1294 7.817,1295 11.03,1296 7.589,1297 6.335,1298 11.601,1299 7.97,1300 10.25,1301 0.285,1302 0.166,1303 10.25,1304 5.973,1305 8.647,1306 0.184,1307 0.094,1308 8.647,1309 4.397,1310 7.228,1311 0.12,1312 0.051,1313 7.228,1314 3.08,1315 5.784,1316 0.077,1317 0.03,1318 5.784,1319 2.251,1320 0.337,1321 73.684,1322 0.242,1323 23.613,1324 0.567,1325 124,1326 357.719,1327 137.917,1328 342.461,1329 470.99,1330 322,1331 145,1332 349.105,1333 158.751,1334 355.611,1335 515.53,1336 331,1337 5.678}
{0 CHEMBL145979,1 1.739,2 9.455,3 2.721,4 7.404,5 89.23,6 9.859,7 0.708,8 3.668,9 3.795,10 3.455,11 3.242,12 4.917,13 3.243,14 4.111,15 4.26,16 3.865,17 3.625,18 5.394,19 3.6,20 4.329,21 4.497,22 3.946,23 3.729,24 5.546,25 3.679,26 4.353,27 4.567,28 3.775,29 3.621,30 5.572,31 3.535,32 4.238,33 4.459,34 3.69,35 3.517,36 5.367,37 3.411,38 4.105,39 4.331,40 3.422,41 3.392,42 5.227,43 3.281,44 4.008,45 4.249,46 3.455,47 3.29,48 5.09,49 3.191,50 3.743,51 3.92,52 3.423,53 3.138,54 5.005,55 3.072,56 0.119,57 0.556,58 3.963,59 2.28,60 13.465,61 2.492,62 0.236,63 0.824,64 7.799,65 4.155,66 20.984,67 4.984,68 0.322,69 0.926,70 15.017,71 5.335,72 26.573,73 6.147,74 0.472,75 0.888,76 19.247,77 5.791,78 46.031,79 6.998,80 0.393,81 0.771,82 21.09,83 5.4,84 41.208,85 6.432,86 0.323,87 0.678,88 14.135,89 4.72,90 32.003,91 5.836,92 0.299,93 0.568,94 16.423,95 4.657,96 29.248,97 5.946,98 0.217,99 0.467,100 10.285,101 3.198,102 21.323,103 3.77,104 17,105 34,106 0.318,107 0.693,108 0.811,109 0.886,110 0.897,111 0.897,112 3.146,113 0.894,114 -4.41,115 -4.34,116 -4.09,119 41.2,125 1,139 4,140 2,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 4,172 3,173 3,175 3,178 5,180 1,182 3,187 4,189 4,191 1,192 1,193 2,195 3,196 4,197 1,198 5,200 2,201 1,204 2,205 1,212 1,215 4,218 1,221 1,224 2,225 1,226 1,228 1,229 5,231 1,234 2,241 4,246 4,250 1,251 1,253 1,254 2,256 1,260 4,265 2,270 2,273 600,274 14.533,275 14.533,276 14.533,277 14.533,278 14.533,279 12.367,280 17.572,281 8.431,282 15.07,283 11.832,284 11.832,285 11.832,286 11.832,287 11.832,288 8.612,289 23.086,290 4.031,291 12.825,292 3.348,293 1.293,294 0.647,295 0.235,296 0.176,297 0.176,298 3.825,299 2,300 1,301 1,302 1,303 444,304 2.449,307 180.587,311 93.397,314 1.504,315 22.311,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 47.667,327 208,328 4.541,329 3.234,330 6.502,331 4.038,332 3.079,333 4.491,334 0.657,335 10.175,336 2.957,337 4.233,338 3.124,339 6.066,340 3.781,341 2.859,342 3.881,344 8.746,345 2.6,346 3.768,347 2.771,348 5.31,349 3.366,350 2.405,351 3.232,353 6.874,354 2.308,355 3.45,356 2.638,357 5.062,358 2.986,359 2.101,360 2.811,362 5.804,363 1.896,364 3.427,365 2.195,366 4.971,367 2.936,368 2.037,369 2.765,371 5.764,372 1.81,373 3.367,374 2.058,375 4.917,376 2.877,377 1.96,378 2.688,380 5.651,381 1.684,382 2.883,383 1.87,384 4.232,385 2.445,386 1.523,387 2.021,389 3.955,390 1.341,391 2.454,392 1.059,393 3.71,394 1.945,395 1.008,396 1.434,398 2.565,399 0.942,400 1.956,401 0.922,402 3.277,403 1.666,404 0.723,405 0.864,407 1.726,408 0.675,409 1.472,410 0.826,411 2.772,412 1.029,413 0.18,414 0.219,415 0.41,416 0.129,417 1.244,418 0.193,419 2.607,420 0.777,421 -0.056,422 -0.071,423 -0.134,424 -0.044,425 0.971,426 -0.082,427 2.477,428 0.473,429 -0.439,430 -0.568,431 -1.144,432 -0.392,433 0.731,434 -0.295,435 2.367,436 0.331,437 -0.59,438 -0.713,439 -1.598,440 -0.452,441 0.559,442 -0.444,443 2.206,444 0.13,445 -0.815,446 -1.07,448 -2.138,449 -0.645,450 0.417,451 -0.721,452 1.903,453 0.049,454 -0.901,455 -1.143,457 -2.407,458 -0.766,459 10.829,460 0.492,461 0.647,462 0.029,463 32.5,464 1.477,465 17.5,466 0.795,467 15,468 0.682,469 14.62,470 0.665,471 22.771,472 0.67,473 21.548,474 0.979,475 6.389,476 0.29,477 4.135,478 0.188,479 0.206,481 0.369,485 0.953,486 1.211,487 0.537,488 0.673,489 1.098,490 0.665,491 0.628,492 0.948,493 0.574,494 0.76,495 0.482,496 0.782,497 1.088,498 1.364,499 0.997,500 1.134,501 0.942,502 1.079,503 0.968,504 0.854,505 1.084,506 1.07,507 0.929,508 1.123,509 1.069,510 1.017,511 0.958,512 1.018,513 1.111,514 1.096,515 0.936,516 0.772,517 0.958,518 0.958,519 1.085,520 1.092,521 0.922,522 0.835,523 0.898,524 0.808,525 0.828,526 0.795,527 1.062,528 1.115,529 1.132,530 1.073,531 1.108,532 1.001,533 5.5,534 0.099,535 2.667,536 1.5,537 1.631,538 0.465,539 0.304,540 0.295,541 0.23,542 0.171,543 5068,544 18754,545 2.043,546 35.3,548 6,550 1,551 5,555 1.641,556 1.886,557 3.22,558 2.824,560 1,562 1,564 59.141,565 1.739,566 3.794,567 4.44,568 4.852,569 4.911,570 4.911,571 2.704,572 4.152,573 4.435,574 3.373,575 779.135,576 7.598,577 8630.78,578 1,579 1,580 1,581 1,582 172.974,583 1.495,584 4.376,585 0.229,586 0.009,587 0.078,588 0.044,589 0.06,590 0.021,591 0.016,592 0.016,593 0.013,594 0.011,595 0.497,596 0.17,597 1,598 0.65,599 101.653,600 -0.236,601 -0.024,602 -0.024,603 0.121,604 -0.323,605 0.103,606 0.138,607 0.17,608 0.064,609 0.096,610 0.206,611 0.061,612 -0.17,613 -0.334,614 -0.123,615 -0.216,616 -0.12,617 -0.184,618 0.028,619 0.127,620 -0.139,621 -0.12,622 0.031,623 -0.166,624 -0.129,625 -0.082,626 0.001,627 -0.033,628 -0.138,629 -0.088,630 -0.058,631 0.179,632 -0.088,633 0.013,634 -0.171,635 -0.084,636 0.016,637 0.03,638 0.15,639 0.247,640 0.06,641 0.304,642 -0.021,643 -0.148,644 -0.036,645 -0.079,646 -0.056,647 -0.043,648 1.561,649 1.998,650 0.727,651 16.479,652 1.023,653 1.133,654 3.181,655 10.116,656 0.729,657 3.219,658 3.555,659 3.784,660 4.025,661 4.263,662 4.22,663 4.234,664 4.317,665 4.466,666 4.443,667 5.7,668 0.703,669 335.22,670 3.219,671 4.762,672 5.602,673 6.479,674 7.335,675 8.211,676 9.074,677 9.949,678 10.815,679 11.691,680 17.6,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,717 2,718 34,719 17,720 1,721 24,723 36,724 14,725 13,726 3,727 3,729 3,730 4,731 2,741 13,742 1,753 1,754 1,757 12,758 6,759 5,760 8,761 2,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,807 2,810 22,811 2,816 1,817 1,828 2,836 11.667,837 5.969,838 4.75,839 1.749,840 3.358,841 1.486,842 1.025,843 4.2,844 10.272,845 3.512,846 4.19,847 4.785,848 5.383,849 5.976,850 6.174,851 6.458,852 6.819,853 7.246,854 7.292,855 1,856 34,857 8.014,859 3.39,860 7.889,861 14.9,863 11.956,865 2.389,866 52.556,870 82.398,871 70.517,872 134.162,873 78.297,877 70.517,878 160.695,879 134.162,881 2.106,882 103.699,883 80.138,884 26.279,885 4.227,886 70.627,887 78.297,888 82.398,889 204.679,891 78.297,893 84.113,897 13.052,898 121.544,899 146.665,901 82.398,902 134.162,903 148.814,906 82.398,907 23.565,908 46.952,909 18.011,910 194.448,911 82.398,912 134.162,913 148.814,915 0.591,916 0.338,917 0.178,918 0.102,919 17,920 8,921 0.083,922 3,923 1,924 1.125,925 3.426,926 169.623,927 0.125,928 16,929 98.107,933 15.092,934 6.123,935 3.349,936 1.125,937 134.162,938 8.785,939 12.215,943 3.261,945 83.805,946 365.374,947 32.5,956 34.793,957 38.539,958 0.342,959 0.746,960 0.873,961 0.954,962 0.965,963 0.965,964 4.738,965 1.008,966 5.602,967 3.955,968 4.234,969 4.875,970 0.623,971 6.395,972 4.081,973 5.98,974 0.723,975 7.155,976 2.565,977 3.892,978 4.808,980 7.235,981 3.619,982 7.304,983 0.18,984 8.801,985 1.726,986 5.82,987 7.168,988 0.317,989 10.302,990 5.554,991 8.661,992 -0.056,993 10.499,994 0.41,995 6.217,996 7.861,998 11.928,999 5.849,1000 10.044,1001 -0.439,1002 12.23,1003 -0.134,1004 7.662,1005 9.736,1006 0.149,1007 14.529,1008 7.296,1009 11.446,1010 -0.59,1011 13.984,1012 -1.144,1013 8.417,1014 10.813,1016 16.518,1017 7.971,1018 12.865,1019 -0.815,1020 15.756,1021 -1.598,1022 9.662,1023 12.476,1024 0.067,1025 18.94,1026 9.203,1027 3.079,1028 -0.901,1029 17.543,1030 -2.138,1031 10.597,1032 13.757,1034 21.1,1035 10.073,1036 2.859,1037 10.175,1038 19.342,1039 -2.407,1040 11.757,1041 15.322,1042 0.03,1043 23.45,1044 11.208,1045 2.405,1046 8.746,1047 21.151,1048 4.491,1049 12.78,1050 16.708,1052 25.689,1053 12.178,1054 2.101,1055 6.874,1056 22.969,1057 3.881,1058 13.905,1059 18.229,1060 0.013,1061 28.012,1062 13.272,1063 2.037,1064 5.804,1065 24.793,1066 3.232,1067 14.972,1068 19.669,1070 30.288,1071 14.292,1072 1.96,1073 5.764,1074 26.624,1075 2.811,1076 16.084,1077 21.172,1078 0.006,1079 32.602,1080 15.371,1081 1.523,1082 5.651,1083 28.459,1084 2.765,1085 17.172,1086 22.639,1088 34.896,1089 16.417,1090 4941,1091 9612,1092 15.72,1093 24.796,1094 36.02,1095 36.893,1096 37.095,1097 35.971,1098 35.748,1099 48.812,1100 1.315,1101 103.341,1102 32.684,1103 5.37,1104 5.234,1105 5.846,1106 5.113,1107 5.079,1108 7.491,1109 1.315,1110 17.069,1111 4.957,1112 11.725,1113 1.501,1114 1.537,1115 1.546,1116 1.499,1117 1.489,1118 2.034,1119 0.055,1120 4.306,1121 1.362,1122 4.056,1123 4.098,1124 4.094,1125 3.938,1126 5.324,1127 3.953,1128 3.901,1129 3.924,1130 4.011,1131 3.842,1132 5.018,1133 3.837,1134 3.529,1135 3.596,1136 3.636,1137 3.347,1138 4.982,1139 3.367,1140 3.165,1141 3.259,1142 3.466,1143 2.94,1144 4.811,1145 2.95,1146 3.108,1147 3.221,1148 3.077,1149 2.843,1150 4.669,1151 2.849,1152 2.905,1153 2.918,1154 3.002,1155 2.81,1156 4.243,1157 2.814,1158 2.806,1159 2.88,1160 2.828,1161 2.638,1162 4.073,1163 2.641,1164 2.641,1165 2.754,1166 2.684,1167 2.342,1168 3.901,1169 2.355,1170 0.189,1171 0.135,1172 0.271,1173 0.168,1174 0.128,1175 4.541,1176 0.187,1177 3.234,1178 0.027,1179 6.502,1180 0.424,1181 4.038,1182 0.123,1183 3.079,1184 4.491,1185 0.657,1186 10.175,1187 2.957,1188 1.978,1189 1.945,1190 2.039,1191 2.122,1192 1.168,1193 2.098,1194 1.868,1195 1.849,1196 1.92,1197 1.952,1198 1.044,1199 1.957,1200 1.464,1201 1.404,1202 1.617,1203 1.682,1204 0.724,1205 1.673,1206 1.086,1207 1.002,1208 1.326,1209 1.395,1210 0.243,1211 1.386,1212 0.995,1213 0.897,1214 1.258,1215 1.363,1216 0.145,1217 1.344,1218 0.852,1219 0.827,1220 1.094,1221 1.021,1222 0.004,1223 1.05,1224 0.765,1225 0.707,1226 0.955,1227 0.94,1229 0.96,1230 0.598,1231 0.479,1232 0.885,1233 0.913,1235 0.931,1236 3.892,1238 5.22,1240 6.742,1242 8.356,1244 10.019,1247 12.066,1250 11.394,1252 0.507,1253 3.203,1262 23.891,1263 59.141,1264 129,1265 150.974,1266 164.974,1267 166.974,1268 166.974,1269 30.781,1270 6.914,1271 102.74,1272 102.74,1273 18,1274 12.232,1275 4.17,1276 3.248,1277 34.632,1278 76,1279 64,1280 0.226,1281 156.895,1282 256.28,1283 374.585,1284 8818,1285 5.9,1286 15.69,1287 0.713,1288 0.584,1289 16.69,1290 12.858,1291 10.525,1292 0.439,1293 0.298,1294 6.367,1295 9.594,1296 6.179,1297 5.1,1298 11.102,1299 7.149,1300 9.89,1301 0.291,1302 0.162,1303 10.669,1304 5.503,1305 7.937,1306 0.185,1307 0.084,1308 8.579,1309 3.631,1310 6.536,1311 0.119,1312 0.043,1313 7.005,1314 2.379,1315 5.42,1316 0.077,1317 0.025,1318 6.109,1319 1.738,1320 0.355,1321 71.802,1322 0.252,1323 21.744,1324 0.617,1325 116,1326 356.299,1327 156.919,1328 415.101,1329 549.48,1330 384,1331 135,1332 365.204,1333 166.452,1334 392.184,1335 571.37,1336 368,1337 5.161}
{0 CHEMBL146039,1 1.458,2 10.875,3 2.301,4 5.293,5 96.071,6 7.91,7 0.815,8 3.816,9 3.951,10 3.437,11 3.389,12 5.008,13 3.384,14 4.27,15 4.43,16 3.797,17 3.775,18 5.456,19 3.745,20 4.498,21 4.691,22 3.825,23 3.886,24 5.58,25 3.832,26 4.547,27 4.784,28 3.66,29 3.794,30 5.634,31 3.698,32 4.446,33 4.704,34 3.436,35 3.644,36 5.411,37 3.535,38 4.288,39 4.543,40 3.275,41 3.501,42 5.282,43 3.386,44 4.198,45 4.47,46 3.21,47 3.423,48 5.082,49 3.314,50 4.001,51 4.222,52 3.251,53 3.347,54 5.069,55 3.273,56 0.049,57 0.66,58 7.331,59 2.953,60 10.706,61 3.813,62 0.167,63 1.018,64 12.359,65 5.27,66 19.619,67 6.971,68 0.1,69 1.209,70 16.827,71 6.463,72 18.669,73 8.829,74 0.29,75 1.211,76 19.663,77 7.099,78 38.289,79 9.955,80 0.171,81 1.044,82 18.734,83 6.391,84 29.029,85 9.164,86 0.229,87 0.901,88 15.802,89 5.445,90 29.389,91 7.702,92 0.143,93 0.79,94 15.257,95 5.338,96 20.404,97 7.73,98 0.087,99 0.7,100 11.008,101 4.262,102 16.198,103 5.966,104 5,105 38,106 0.253,107 0.587,108 0.739,109 0.852,110 0.873,111 0.89,112 3.228,113 0.844,114 -4.47,115 -4.4,116 -4.15,119 45,125 1,139 8,140 4,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 11,169 2,170 4,172 3,173 3,175 4,178 13,180 1,182 3,187 4,189 10,191 1,192 1,193 2,195 3,196 4,197 1,198 5,200 2,201 6,204 2,205 1,212 3,215 5,218 1,221 2,224 2,225 1,226 2,228 1,229 6,231 1,234 2,241 6,246 6,250 1,251 2,253 1,254 5,256 2,260 6,265 2,268 3,270 2,273 738,274 16.394,275 16.394,276 16.394,277 16.394,278 16.394,279 13.791,280 16.037,281 9.649,282 16.686,283 13.359,284 13.359,285 13.359,286 13.359,287 13.359,288 9.461,289 23.348,290 4.63,291 13.846,292 3.864,293 1.941,294 1.069,295 0.419,296 0.3,297 0.2,298 3.932,300 1,301 1,302 1,303 581,304 2.449,307 236.935,311 201.134,314 1.563,315 16.67,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51,327 261,328 4.541,329 3.133,330 6.502,331 4.038,332 3.079,333 4.491,334 0.657,335 10.175,336 2.958,337 4.406,338 2.955,339 6.183,340 3.919,341 2.923,342 4.336,344 9.226,345 2.91,346 3.792,347 2.68,348 5.368,349 3.417,350 2.453,351 3.245,353 7.023,354 2.366,355 3.621,356 2.35,357 5.195,358 3.198,359 2.235,360 3.042,362 6.521,363 2.155,364 3.428,365 2.165,366 5.062,367 2.966,368 2.032,369 2.811,371 5.801,372 1.89,373 3.362,374 2.033,375 4.964,376 2.878,377 1.949,378 2.688,380 5.736,381 1.803,382 3.118,383 1.618,384 4.414,385 2.618,386 1.618,387 2.427,389 4.367,390 1.618,391 2.899,392 1.429,393 3.71,394 2.411,395 1.414,396 2.091,398 3.02,399 1.409,400 2.454,401 1.061,402 3.622,403 1.945,404 1.009,405 1.435,407 2.565,408 0.942,409 2.216,410 0.99,411 3.306,412 1.788,413 0.821,414 1.098,415 1.913,416 0.792,417 1.905,418 0.664,419 3.134,420 1.576,421 0.603,422 0.78,423 1.429,424 0.586,425 1.388,426 0.187,427 2.752,428 0.967,429 0.036,430 0.046,431 0.089,432 0.033,433 1.022,434 -0.248,435 2.589,436 0.587,437 -0.377,438 -0.5,439 -0.946,440 -0.359,441 0.95,442 -0.309,443 2.466,444 0.464,445 -0.46,446 -0.593,448 -1.168,449 -0.427,450 0.882,451 -0.618,452 2.258,453 0.382,454 -0.618,455 -0.927,457 -1.596,458 -0.618,459 11.4,460 0.475,461 0.571,462 0.024,463 37.5,464 1.563,465 21.5,466 0.896,467 16,468 0.667,469 14.01,470 0.584,471 24,472 0.6,473 25.176,474 1.049,475 7.435,476 0.31,477 4.251,478 0.177,479 0.07,481 0.351,485 1.16,486 1.106,487 0.78,488 0.818,489 1.293,490 0.758,491 0.588,492 0.903,493 0.782,494 0.937,495 0.479,496 0.897,497 1.028,498 1.249,499 0.995,500 1.135,501 0.849,502 1.074,503 0.801,504 0.917,505 1.088,506 1.105,507 0.764,508 1.131,509 1.093,510 1.041,511 1.081,512 1.052,513 1.054,514 1.062,515 1.006,516 0.815,517 1.168,518 1.023,519 1.132,520 1.101,521 0.879,522 0.791,523 0.859,524 0.809,525 0.76,526 0.827,527 0.728,528 1.042,529 0.864,530 1.029,531 0.745,532 0.978,533 5,534 0.136,535 2.444,536 1.25,537 1.693,538 0.382,539 0.282,540 0.323,541 0.131,542 0.164,543 7239,544 18829,545 2.161,546 40,548 10,550 1,551 5,555 1.663,556 2.057,557 3.406,558 2.619,559 1,560 1,562 1,564 58.309,565 1.458,566 3.381,567 4.253,568 4.903,569 5.022,570 5.122,571 2.872,572 4.085,573 4.561,574 3.537,575 976.23,576 7.835,577 11634.8,578 1,579 1,581 1,582 212.877,583 1.281,584 4.532,585 0.185,586 0.009,587 0.064,588 0.033,589 0.056,590 0.016,591 0.014,592 0.016,593 0.006,594 0.009,595 0.408,596 0.17,597 1,598 0.49,599 115.244,600 -0.213,601 0.031,602 0.01,603 0.117,604 -0.322,605 0.1,606 0.305,607 0.18,608 0.052,609 0.023,610 0.256,611 0.005,612 -0.12,613 -0.227,614 -0.1,615 -0.168,616 -0.076,617 -0.138,618 0.209,619 0.062,620 -0.109,621 -0.139,622 0.174,623 -0.164,624 -0.129,625 -0.111,626 -0.064,627 -0.065,628 -0.092,629 -0.057,630 0.007,631 0.14,632 -0.16,633 -0.049,634 -0.157,635 -0.114,636 -0.026,637 0.096,638 0.183,639 0.218,640 0.021,641 0.229,642 0.101,643 -0.084,644 0.085,645 -0.025,646 0.154,647 0.018,648 1.533,649 1.904,650 0.833,651 19.375,652 1.001,653 1.127,654 3.244,655 10.522,656 0.696,657 3.332,658 3.664,659 3.932,660 4.205,661 4.466,662 4.454,663 4.522,664 4.625,665 4.745,666 4.691,667 6.298,668 0.669,669 316.4,670 3.332,671 4.875,672 5.727,673 6.605,674 7.47,675 8.35,676 9.219,677 10.098,678 10.97,679 11.849,680 15,684 2,685 1,690 3,694 4,695 9,696 3,700 4,702 22,711 2,712 1,718 40,719 22,720 2,721 27,723 43,724 18,725 17,726 3,727 7,729 4,730 6,741 17,742 1,753 1,754 1,757 16,758 6,759 5,760 6,764 6,769 0.5,775 1,776 1,781 4,785 2,802 2,810 24,811 2,816 1,817 1,836 11.667,837 7.017,838 5.167,839 2.178,840 4.5,841 1.6,842 1.068,843 3.634,844 12.006,845 3.664,846 4.357,847 5.009,848 5.652,849 6.28,850 6.54,851 6.894,852 7.273,853 7.678,854 7.619,855 1,856 38,857 8.782,859 3.749,860 7.681,861 16.742,863 13.787,865 2.181,866 52.333,869 1,870 129.482,871 106.567,872 134.162,877 106.567,878 129.482,879 134.162,881 2.106,882 141.604,883 80.138,884 24.424,885 4.227,886 117.711,888 129.482,889 240.728,893 131.197,897 13.052,898 157.593,899 68.367,901 129.482,902 134.162,903 106.567,906 129.482,907 21.709,908 84.857,909 18.011,910 116.151,911 129.482,912 134.162,913 106.567,915 0.585,916 0.34,917 0.188,918 0.107,919 20,920 8,921 0.07,922 3,923 2,924 1.2,925 3.739,926 196.621,927 0.2,928 20,929 108.039,933 14.669,934 5.947,935 2.973,936 3.64,937 134.162,938 18.264,939 12.378,943 2.526,945 83.805,946 370.21,947 38,956 40.029,957 45.066,958 0.274,959 0.635,960 0.799,961 0.921,962 0.944,963 0.962,964 4.879,965 1.414,966 5.707,967 4.367,968 4.344,969 5.043,970 0.623,971 6.5,972 4.276,973 6.114,974 1.009,975 7.251,976 3.02,977 3.892,978 4.913,980 7.322,981 3.795,982 7.434,983 0.821,984 8.889,985 2.565,986 5.922,987 7.371,988 0.317,989 10.411,990 5.797,991 8.791,992 0.603,993 10.583,994 1.913,995 6.256,996 8.055,998 12.048,999 6.108,1000 10.177,1001 0.036,1002 12.313,1003 1.429,1004 7.76,1005 9.981,1006 0.149,1007 14.648,1008 7.588,1009 11.584,1010 -0.377,1011 14.068,1012 0.089,1013 8.483,1014 11.074,1016 16.648,1017 8.289,1018 13.009,1019 -0.46,1020 15.843,1021 -0.946,1022 9.759,1023 12.762,1024 0.067,1025 19.064,1026 9.541,1027 3.079,1028 -0.618,1029 17.631,1030 -1.168,1031 10.678,1032 14.062,1034 21.23,1035 10.437,1036 2.923,1037 10.175,1038 19.432,1039 -1.596,1040 11.854,1041 15.641,1042 0.03,1043 23.576,1044 11.588,1045 2.453,1046 9.226,1047 21.243,1048 4.491,1049 12.871,1050 17.042,1052 25.815,1053 12.578,1054 2.235,1055 7.023,1056 23.062,1057 4.336,1058 14.003,1059 18.57,1060 0.013,1061 28.134,1062 13.685,1063 2.032,1064 6.521,1065 24.887,1066 3.245,1067 15.068,1068 20.019,1070 30.408,1071 14.721,1072 1.949,1073 5.801,1074 26.719,1075 3.042,1076 16.184,1077 21.526,1078 0.006,1079 32.717,1080 15.809,1081 1.618,1082 5.736,1083 28.555,1084 2.811,1085 17.271,1086 22.996,1088 35.007,1089 16.866,1090 6715,1091 10965,1092 18.493,1093 27.841,1094 40.521,1095 40.506,1096 40.995,1097 40.332,1098 40.342,1099 56.978,1100 1.315,1101 115.729,1102 38.924,1103 5.365,1104 5.133,1105 6.189,1106 5.113,1107 5.079,1108 7.491,1109 1.315,1110 17.069,1111 4.958,1112 8.873,1113 1.501,1114 1.5,1115 1.518,1116 1.494,1117 1.494,1118 2.11,1119 0.049,1120 4.286,1121 1.442,1122 4.098,1123 4.129,1124 4.056,1125 4.044,1126 5.324,1127 4.041,1128 4.028,1129 4.063,1130 3.998,1131 3.916,1132 4.982,1133 3.934,1134 3.591,1135 3.655,1136 3.513,1137 3.442,1138 4.912,1139 3.449,1140 3.436,1141 3.491,1142 3.357,1143 3.3,1144 4.809,1145 3.311,1146 3.123,1147 3.228,1148 3.004,1149 2.972,1150 4.402,1151 2.965,1152 3.105,1153 3.2,1154 2.996,1155 2.834,1156 4.176,1157 2.856,1158 3.008,1159 3.071,1160 2.884,1161 2.797,1162 3.983,1163 2.827,1164 2.706,1165 2.792,1166 2.596,1167 2.553,1168 3.858,1169 2.554,1170 0.168,1171 0.116,1172 0.241,1173 0.15,1174 0.114,1175 4.541,1176 0.166,1177 3.133,1178 0.024,1179 6.502,1180 0.377,1181 4.038,1182 0.11,1183 3.079,1184 4.491,1185 0.657,1186 10.175,1187 2.958,1188 2.072,1189 2.051,1190 2.157,1191 2.142,1192 1.286,1193 2.145,1194 1.97,1195 1.937,1196 2.029,1197 2.105,1198 1.148,1199 2.087,1200 1.548,1201 1.497,1202 1.703,1203 1.744,1204 0.786,1205 1.737,1206 1.406,1207 1.354,1208 1.568,1209 1.575,1210 0.64,1211 1.579,1212 1.092,1213 1.035,1214 1.323,1215 1.382,1216 0.36,1217 1.369,1218 1.011,1219 0.922,1220 1.275,1221 1.326,1222 0.201,1223 1.325,1224 0.976,1225 0.884,1226 1.238,1227 1.179,1228 0.031,1229 1.211,1230 0.676,1231 0.617,1232 0.957,1233 0.934,1235 0.943,1236 4.007,1238 5.333,1240 6.862,1242 8.486,1244 10.159,1250 11.492,1252 0.63,1253 3.402,1262 26.762,1263 58.309,1264 135.228,1265 170.122,1266 196.122,1267 200.877,1268 204.877,1269 27.003,1270 7.506,1271 102.74,1272 102.74,1273 24,1274 12.387,1275 4.524,1276 3.585,1277 34.125,1278 93,1279 76,1280 0.181,1281 165.351,1282 266.52,1283 395.216,1284 19811,1286 16.518,1287 0.688,1288 0.537,1289 16.518,1290 12.9,1291 11.687,1292 0.433,1293 0.281,1294 7.507,1295 11.353,1296 7.352,1297 6.109,1298 11.687,1299 7.592,1300 10.718,1301 0.282,1302 0.147,1303 10.718,1304 5.597,1305 8.998,1306 0.18,1307 0.078,1308 8.998,1309 3.901,1310 7.738,1311 0.117,1312 0.041,1313 7.738,1314 2.696,1315 6.507,1316 0.076,1317 0.022,1318 6.507,1319 1.894,1320 0.289,1321 72.422,1322 0.233,1323 23.665,1324 0.482,1325 130,1326 337.893,1327 139.88,1328 343.44,1329 485,1330 322,1331 153,1332 374.479,1333 162.492,1334 385.261,1335 561.68,1336 363,1337 5.31}
{0 CHEMBL146438,1 1.558,2 10.6,3 2.29,4 5.245,5 98.669,6 7.476,7 0.607,8 3.929,9 4.063,10 3.504,11 3.428,12 5.06,13 3.427,14 4.449,15 4.636,16 3.886,17 3.832,18 5.532,19 3.812,20 4.615,21 4.796,22 3.953,23 3.993,24 5.636,25 3.949,26 4.76,27 4.971,28 3.903,29 4.03,30 5.802,31 3.938,32 4.851,33 5.126,34 3.692,35 3.95,36 5.749,37 3.828,38 4.652,39 4.915,40 3.567,41 3.821,42 5.531,43 3.694,44 4.562,45 4.83,46 3.45,47 3.706,48 5.418,49 3.582,50 4.422,51 4.7,52 3.374,53 3.524,54 5.358,55 3.419,56 0.048,57 0.728,58 9.355,59 3.552,60 10.675,61 4.921,62 0.281,63 1.133,64 17.697,65 6.303,66 26.287,67 8.708,68 0.161,69 1.339,70 20.286,71 7.307,72 15.787,73 10.407,74 0.276,75 1.459,76 24.424,77 9.091,78 35.926,79 13.011,80 0.447,81 1.41,82 30.075,83 8.756,84 47.328,85 13.567,86 0.315,87 1.183,88 24,89 8.143,90 32.342,91 12.046,92 0.242,93 1.063,94 22.144,95 7.163,96 26.81,97 10.832,98 0.217,99 0.924,100 19.455,101 5.891,102 28.233,103 9.15,104 18,105 41,106 0.268,107 0.656,108 0.836,109 0.869,110 0.869,111 0.869,112 3.268,113 0.874,114 -4.13,115 -4.08,116 -3.86,119 40,120 1,121 1,124 1,125 2,139 3,140 4,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 6,169 2,170 10,172 3,173 3,175 1,178 6,180 1,182 8,187 1,189 3,191 1,192 2,193 8,195 3,196 3,197 1,198 3,200 2,201 4,204 3,205 1,206 1,212 1,215 5,218 1,220 2,221 3,223 1,224 1,226 2,229 8,231 2,234 3,241 4,246 7,248 1,249 1,251 3,256 3,259 1,260 6,265 2,270 2,273 829,274 16.903,275 16.903,276 16.903,277 16.903,278 16.903,279 14.794,280 23.278,281 9.617,282 17.414,283 13.738,284 13.738,285 13.738,286 13.738,287 13.738,288 10.473,289 31.725,290 4.474,291 14.485,292 3.933,293 1.673,294 0.628,295 0.434,296 0.434,297 0.434,298 3.963,300 1,301 1,302 1,303 581,304 2.646,306 48.518,307 177.982,310 91.002,311 100.457,314 1.504,315 19.579,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54,327 265,328 4.657,329 3.397,330 6.839,331 4.197,332 3.225,333 4.616,334 0.916,335 11.25,336 3.139,337 4.375,338 3.256,339 6.546,340 4.044,341 3.081,342 3.975,343 0.86,344 10.356,345 2.972,346 3.914,347 2.819,348 5.818,349 3.515,350 2.558,351 3.414,352 0.172,353 7.964,354 2.446,355 3.652,356 2.66,357 5.386,358 3.289,359 2.358,360 2.963,362 6.948,363 2.187,364 3.453,365 2.256,366 5.102,367 2.988,368 2.052,369 2.86,371 5.962,372 1.914,373 3.383,374 2.083,375 5.025,376 2.906,377 1.984,378 2.704,380 5.811,381 1.825,382 2.984,383 2.002,384 4.898,385 2.689,386 1.73,387 2.115,389 5.268,390 1.657,391 2.73,392 1.619,393 4.279,394 2.396,395 1.426,396 1.798,398 3.779,399 1.378,400 2.642,401 1.508,402 4.128,403 2.256,404 1.307,405 1.678,407 3.398,408 1.238,409 1.894,410 1.043,411 3.281,412 1.681,413 0.706,414 0.815,415 1.663,416 0.686,417 1.689,418 0.8,419 3.117,420 1.391,421 0.502,422 0.568,423 0.967,424 0.441,425 1.496,426 0.562,427 2.826,428 1.191,429 0.265,430 0.316,431 0.529,432 0.245,433 1.197,434 0.114,435 2.801,436 0.838,437 -0.109,438 -0.135,439 -0.286,440 -0.103,441 0.998,442 -0.143,443 2.667,444 0.584,445 -0.348,446 -0.442,448 -0.922,449 -0.323,450 0.754,451 -0.302,452 2.428,453 0.4,454 -0.525,455 -0.628,457 -1.244,458 -0.484,459 11.733,460 0.469,461 0.695,462 0.028,463 35.25,464 1.41,465 18,466 0.72,467 17.25,468 0.69,469 19.073,470 0.763,471 26.667,472 0.593,473 24.657,474 0.986,475 6.903,476 0.276,477 5.16,478 0.206,479 0.153,481 0.418,485 1.034,486 1.36,487 0.803,488 1.058,489 1.176,490 0.913,491 0.984,492 0.841,493 0.743,494 0.772,495 0.54,496 0.738,497 1.049,498 1.287,499 0.993,500 1.133,501 0.838,502 1.067,503 0.663,504 1.207,505 1.084,506 1.343,507 0.617,508 1.295,509 1.08,510 0.878,511 1.108,512 0.915,513 1.196,514 0.99,515 0.782,516 0.874,517 1.014,518 1.017,519 0.898,520 1.049,521 0.912,522 0.987,523 1.003,524 1.005,525 0.871,526 1.016,527 0.841,528 1.002,529 0.889,530 0.958,531 1.035,532 0.927,533 5.5,534 0.152,535 3.111,536 2.479,537 1.777,538 0.834,539 0.571,540 0.329,541 0.311,542 0.138,543 7121,544 18575,545 2.105,546 44.4,547 3,548 10,550 1,551 4,553 2,555 1.679,556 1.948,557 3.332,558 1.776,559 1,560 1,564 70.126,565 1.558,566 3.819,567 4.864,568 5.058,569 5.058,570 5.058,571 2.823,572 4.324,573 4.615,574 3.457,575 1037.12,576 7.976,577 12178.7,579 1,581 1,582 247.133,583 1.473,584 4.565,585 0.196,586 0.012,587 0.076,588 0.058,589 0.047,590 0.028,591 0.021,592 0.014,593 0.014,594 0.008,595 0.473,596 0.33,597 1,598 0.795,599 119.649,600 -0.12,601 -0.139,602 0.045,603 -0.013,604 -0.201,605 0.038,606 0.093,607 0.268,608 0.182,609 0.239,610 0.259,611 0.219,612 -0.154,613 -0.172,614 -0.102,615 -0.106,616 -0.083,617 -0.098,618 0.129,619 -0.157,620 -0.171,621 -0.326,622 0.188,623 -0.309,624 -0.132,625 0.065,626 -0.106,627 0.033,628 -0.205,629 -0.016,630 0.024,631 0.067,632 -0.042,633 -0.016,634 -0.06,635 -0.039,636 -0.084,637 -0.064,638 -0.02,639 -0.01,640 -0.06,641 -0.006,642 0.021,643 -0.077,644 0.113,645 0.004,646 -0.014,647 0.066,648 1.521,649 2.045,650 0.76,651 19.952,652 1.003,653 1.136,654 2.902,655 8.423,656 0.663,657 3.367,658 3.738,659 4.06,660 4.369,661 4.585,662 4.7,663 4.812,664 4.934,665 5.024,666 5.094,667 5.908,668 0.634,669 336.44,670 3.367,671 4.934,672 5.814,673 6.72,674 7.613,675 8.523,676 9.421,677 10.331,678 11.231,679 12.142,680 13.3,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,716 1,718 45,719 17,720 1,721 28,723 48,724 18,725 13,726 3,727 3,729 4,730 6,734 1,736 1,739 1,741 13,742 5,753 1,754 1,757 20,758 7,759 4,760 7,764 6,769 0.5,770 1,775 1,776 1,780 1,781 3,784 1,785 1,802 2,806 2,810 25,811 2,816 3,818 1,821 1,829 2.2,834 1,836 12.833,837 8.717,838 5.417,839 2.532,840 3.464,841 1.452,842 1.026,843 3.942,844 11.129,845 3.624,846 4.304,847 4.949,848 5.574,849 6.141,850 6.452,851 6.781,852 7.149,853 7.52,854 7.7,855 1,856 43,857 9.181,859 3.911,860 7.66,861 17.637,863 14.631,865 2.16,866 54,870 188.338,871 90.003,872 119.275,874 11,877 90.003,878 199.338,879 119.275,880 19.708,881 6.746,882 94.223,883 62.128,884 45.017,885 4.227,886 176.567,888 188.338,889 209.278,890 11,893 166.511,894 34.542,897 26.518,898 130.688,899 50.357,901 188.338,902 130.275,903 90.003,906 188.338,907 32.818,908 60.309,910 127.151,911 188.338,912 130.275,913 90.003,915 0.593,916 0.361,917 0.202,918 0.106,919 22,920 10,921 0.063,922 3,923 2,924 1.211,925 3.651,926 217.595,927 0.211,928 19,929 116.096,933 16.062,934 6.136,935 2.775,936 1.318,937 130.275,938 8.07,939 12.672,943 6.114,945 65.794,946 408.615,947 36.5,956 45.123,957 51.106,958 0.284,959 0.695,960 0.886,961 0.921,962 0.921,963 0.921,964 4.885,965 1.426,966 5.826,967 5.268,968 4.419,969 4.99,970 1.382,971 6.688,972 4.324,973 6.123,974 1.307,975 7.419,976 3.779,977 4.111,978 4.956,979 0.325,980 7.67,981 3.983,982 7.461,983 0.706,984 9.108,985 3.398,986 6.066,987 7.29,988 1.115,989 10.796,990 5.898,991 8.834,992 0.502,993 10.853,994 1.663,995 6.553,996 8.053,997 0.393,998 12.595,999 6.361,1000 10.237,1001 0.265,1002 12.634,1003 0.967,1004 8.002,1005 9.897,1006 0.921,1007 15.251,1008 7.777,1009 11.662,1010 -0.109,1011 14.441,1012 0.529,1013 8.854,1014 11.043,1015 0.384,1016 17.397,1017 8.608,1018 13.105,1019 -0.348,1020 16.267,1021 -0.286,1022 10.112,1023 12.69,1024 0.764,1025 19.89,1026 9.837,1027 3.225,1028 -0.525,1029 18.108,1030 -0.922,1031 11.131,1032 14.026,1033 0.351,1034 22.183,1035 10.834,1036 3.081,1037 11.25,1038 19.962,1039 -1.244,1040 12.318,1041 15.592,1042 0.634,1043 24.615,1044 11.993,1045 2.558,1046 10.356,1047 21.826,1048 4.616,1049 13.411,1050 17.021,1051 0.312,1052 26.97,1053 13.062,1054 2.358,1055 7.964,1056 23.698,1057 3.975,1058 14.573,1059 18.555,1060 0.525,1061 29.382,1062 14.197,1063 2.052,1064 6.948,1065 25.576,1066 3.414,1067 15.699,1068 20.031,1069 0.273,1070 31.763,1071 15.298,1072 1.984,1073 5.962,1074 27.46,1075 2.963,1076 16.854,1077 21.554,1078 0.433,1079 34.168,1080 16.426,1081 1.73,1082 5.811,1083 29.349,1084 2.86,1085 17.996,1086 23.052,1087 0.236,1088 36.562,1089 17.541,1090 6773,1091 11059,1092 18.611,1093 29.819,1094 42.456,1095 43.074,1096 44.409,1097 42.373,1098 42.385,1099 55.648,1100 3.898,1101 127.786,1102 40.256,1103 5.56,1104 5.397,1105 6.387,1106 5.272,1107 5.225,1108 7.616,1109 1.776,1110 18.541,1111 5.139,1112 12.693,1113 1.516,1114 1.538,1115 1.586,1116 1.513,1117 1.514,1118 1.987,1119 0.139,1120 4.564,1121 1.438,1122 4.089,1123 4.129,1124 4.059,1125 3.982,1126 5.321,1127 3.994,1128 3.977,1129 4.011,1130 3.931,1131 3.884,1132 4.982,1133 3.892,1134 3.564,1135 3.623,1136 3.493,1137 3.383,1138 4.87,1139 3.403,1140 3.428,1141 3.489,1142 3.318,1143 3.243,1144 4.8,1145 3.25,1146 3.176,1147 3.271,1148 3.051,1149 2.962,1150 4.438,1151 2.961,1152 3.162,1153 3.245,1154 2.949,1155 2.918,1156 4.183,1157 2.915,1158 3.036,1159 3.153,1160 2.898,1161 2.805,1162 4.026,1163 2.819,1164 3.023,1165 3.126,1166 2.8,1167 2.704,1168 3.917,1169 2.72,1170 0.166,1171 0.121,1172 0.244,1173 0.15,1174 0.115,1175 4.657,1176 0.165,1177 3.397,1178 0.033,1179 6.839,1180 0.402,1181 4.197,1182 0.112,1183 3.225,1184 4.616,1185 0.916,1186 11.25,1187 3.139,1188 1.997,1189 1.966,1190 2.059,1191 2.132,1192 1.242,1193 2.11,1194 1.877,1195 1.857,1196 1.974,1197 1.97,1198 1.175,1199 1.971,1200 1.555,1201 1.488,1202 1.76,1203 1.777,1204 1.004,1205 1.776,1206 1.391,1207 1.324,1208 1.602,1209 1.617,1210 0.687,1211 1.624,1212 1.215,1213 1.146,1214 1.568,1215 1.519,1216 0.569,1217 1.535,1218 1.141,1219 1.052,1220 1.478,1221 1.408,1222 0.557,1223 1.426,1224 0.984,1225 0.899,1226 1.265,1227 1.339,1228 0.27,1229 1.341,1230 0.945,1231 0.826,1232 1.237,1233 1.252,1234 0.152,1235 1.264,1236 4.043,1238 5.398,1239 2.398,1240 6.954,1241 4.727,1242 8.605,1243 6.823,1244 10.308,1246 3.72,1250 11.706,1252 2.736,1254 5.317,1257 2.346,1262 28.531,1263 70.126,1264 171.849,1265 218.869,1266 227.624,1267 227.624,1268 227.624,1269 31.297,1270 7.665,1271 103.18,1272 103.18,1273 23,1274 12.659,1275 4.17,1276 3.248,1277 36.002,1278 89,1279 98,1280 0.203,1281 175.202,1282 291.49,1283 419.252,1284 22205,1286 17.552,1287 0.702,1288 0.571,1289 17.552,1290 14.283,1291 12.063,1292 0.431,1293 0.291,1294 8.02,1295 11.544,1296 7.768,1297 6.446,1298 12.063,1299 8.156,1300 11.172,1301 0.272,1302 0.152,1303 11.172,1304 6.24,1305 9.786,1306 0.172,1307 0.084,1308 9.786,1309 4.774,1310 8.654,1311 0.111,1312 0.044,1313 8.654,1314 3.436,1315 6.654,1316 0.069,1317 0.023,1318 6.654,1319 2.265,1320 0.315,1321 75.916,1322 0.232,1323 24.028,1324 0.564,1325 138,1326 376.94,1327 151.453,1328 369.866,1329 520.23,1330 348,1331 167,1332 399.151,1333 180.482,1334 407.926,1335 599.09,1336 382,1337 6.77}
{0 CHEMBL147828,1 1.712,2 10.043,3 3.075,4 9.453,5 93.465,6 9.439,7 0.68,8 3.74,9 3.867,10 3.496,11 3.3,12 4.96,13 3.294,14 4.206,15 4.375,16 3.909,17 3.687,18 5.429,19 3.66,20 4.405,21 4.563,22 4.098,23 3.845,24 5.614,25 3.786,26 4.514,27 4.742,28 3.809,29 3.771,30 5.645,31 3.673,32 4.447,33 4.684,34 3.649,35 3.694,36 5.468,37 3.577,38 4.398,39 4.65,40 3.531,41 3.608,42 5.417,43 3.463,44 4.16,45 4.391,46 3.489,47 3.439,48 5.211,49 3.325,50 3.956,51 4.155,52 3.484,53 3.269,54 5.215,55 3.199,56 0.099,57 0.596,58 4.944,59 2.614,60 12.097,61 3.12,62 0.267,63 0.891,64 10.912,65 4.65,66 21.659,67 5.817,68 0.301,69 1.025,70 18.679,71 5.919,72 26.445,73 7.049,74 0.467,75 1.06,76 21.896,77 7.088,78 43.718,79 9.258,80 0.328,81 0.969,82 19.004,83 6.801,84 34.262,85 9.049,86 0.444,87 0.844,88 24.836,89 6.868,90 44.084,91 8.89,92 0.287,93 0.667,94 20.841,95 5.646,96 28.171,97 7.26,98 0.287,99 0.587,100 12.434,101 3.429,102 29.202,103 4.041,104 26,105 36,106 0.307,107 0.693,108 0.805,109 0.873,110 0.883,111 0.883,112 3.188,113 0.904,114 -4.65,115 -4.57,116 -4.3,119 40.5,124 1,125 1,139 4,140 2,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 7,172 3,173 3,175 1,178 4,180 1,182 5,187 1,189 5,191 1,192 2,193 4,195 3,196 3,197 1,198 2,200 2,201 3,204 2,205 1,207 1,212 1,215 3,218 1,220 2,221 2,223 1,224 1,226 1,229 4,231 1,234 1,241 3,246 5,248 1,249 1,251 2,254 2,256 2,260 3,265 1,268 1,270 1,273 673,274 15.033,275 15.033,276 15.033,277 15.033,278 15.033,279 12.892,280 18.719,281 8.602,282 15.602,283 12.3,284 12.3,285 12.3,286 12.3,287 12.3,288 9.119,289 25.401,290 4.093,291 13.372,292 3.498,293 1.351,294 0.723,295 0.345,296 0.291,297 0.291,298 3.864,299 2,300 1,301 1,302 1,303 492,304 2.828,307 194.489,311 101.651,314 1.44,315 21.177,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49.667,327 231,328 4.542,329 3.343,330 6.503,331 4.043,332 3.084,333 4.491,334 0.916,335 10.18,336 2.962,337 4.261,338 3.152,339 6.145,340 3.844,341 2.92,342 3.897,343 0.172,344 8.988,345 2.695,346 3.839,347 2.987,348 5.772,349 3.468,350 2.566,351 3.257,353 7.677,354 2.321,355 3.642,356 2.49,357 5.285,358 3.217,359 2.292,360 2.973,362 6.716,363 2.016,364 3.427,365 2.175,366 5.062,367 2.961,368 2.03,369 2.811,371 5.802,372 1.879,373 3.353,374 2.138,375 4.971,376 2.873,377 1.944,378 2.675,380 5.75,381 1.794,382 2.821,383 2.032,384 4.119,385 2.308,386 1.414,387 1.95,389 3.573,390 1.21,391 2.515,392 1.473,393 3.993,394 2.186,395 1.257,396 1.518,398 3.308,399 1.132,400 2.441,401 1.058,402 3.708,403 1.943,404 1.005,405 1.418,407 2.565,408 0.94,409 1.516,410 0.693,411 2.929,412 1.119,413 0.209,414 0.259,415 0.513,416 0.179,417 1.318,418 0.384,419 2.676,420 0.817,421 0.052,422 0.063,423 0.117,424 0.034,425 0.984,426 -0.075,427 2.52,428 0.519,429 -0.395,430 -0.49,431 -1.058,432 -0.356,433 0.783,434 -0.205,435 2.379,436 0.43,437 -0.497,438 -0.606,439 -1.277,440 -0.431,441 0.689,442 -0.308,443 2.324,444 0.223,445 -0.661,446 -0.83,448 -1.696,449 -0.487,450 0.512,451 -0.719,452 2.076,453 0.128,454 -0.815,455 -1.09,457 -2.213,458 -0.766,459 11.329,460 0.493,461 0.736,462 0.032,463 33.25,464 1.446,465 17.5,466 0.761,467 15.75,468 0.685,469 16.456,470 0.715,471 24.071,472 0.651,473 22.878,474 0.995,475 6.554,476 0.285,477 4.381,478 0.19,479 0.241,481 0.388,485 0.906,486 1.342,487 0.543,488 0.783,489 1.061,490 0.752,491 0.714,492 0.844,493 0.562,494 0.631,495 0.461,496 0.666,497 1.015,498 1.386,499 0.864,500 1.095,501 0.838,502 1.086,503 0.75,504 0.86,505 0.861,506 1.017,507 0.738,508 1.079,509 0.737,510 1.119,511 0.726,512 1.065,513 0.853,514 1.131,515 1.048,516 0.696,517 1.135,518 0.987,519 1.171,520 1.07,521 1.095,522 1.02,523 1.182,524 1.065,525 0.923,526 0.989,527 1.396,528 1.011,529 1.182,530 0.966,531 1.464,532 1.029,533 6,534 0.132,535 3.111,536 1.75,537 1.831,538 0.556,539 0.465,540 0.358,541 0.221,542 0.182,543 5589,544 20279,545 2.016,546 37.8,548 9,550 1,551 4,555 1.655,556 1.84,557 3.301,558 1.908,559 1,560 1,562 1,564 63.334,565 1.712,566 3.859,567 4.486,568 4.865,569 4.919,570 4.919,571 2.736,572 4.437,573 4.498,574 3.418,575 864.817,576 7.729,577 9799.77,578 1,579 1,580 1,581 1,582 192.75,583 1.538,584 4.428,585 0.24,586 0.011,587 0.086,588 0.047,589 0.061,590 0.022,591 0.022,592 0.017,593 0.012,594 0.011,595 0.53,596 0.17,597 1,598 0.675,599 107.761,600 -0.181,601 -0.141,602 -0.011,603 0.038,604 -0.283,605 0.05,606 0.105,607 0.286,608 0.105,609 0.239,610 0.225,611 0.2,612 -0.112,613 -0.314,614 -0.01,615 -0.177,616 -0.038,617 -0.2,618 0.111,619 0.126,620 -0.059,621 -0.081,622 0.1,623 -0.109,624 -0.002,625 -0.173,626 0.003,627 -0.115,628 -0.062,629 -0.119,630 -0.099,631 0.2,632 -0.127,633 0.028,634 -0.218,635 -0.025,636 -0.122,637 -0.148,638 -0.064,639 -0.01,640 -0.018,641 0.074,642 -0.262,643 0.035,644 -0.171,645 -0.048,646 -0.273,647 -0.145,648 1.553,649 1.948,650 0.696,651 17.686,652 1.018,653 1.134,654 3.424,655 11.722,656 0.718,657 3.258,658 3.611,659 3.85,660 4.078,661 4.317,662 4.317,663 4.357,664 4.394,665 4.522,666 4.466,667 5.814,668 0.687,669 349.25,670 3.258,671 4.812,672 5.659,673 6.541,674 7.404,675 8.285,676 9.154,677 10.034,678 10.906,679 11.786,680 16.2,684 2,686 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,714 1,717 2,718 37,719 17,720 1,721 25,723 39,724 15,725 13,726 3,727 3,729 3,730 4,731 2,741 13,742 2,753 1,754 1,757 14,758 6,759 4,760 8,761 2,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,807 2,810 23,811 2,816 1,821 1,828 2,836 12.5,837 6.919,838 4.944,839 1.912,840 3.283,841 1.471,842 1.01,843 4.436,844 10.253,845 3.541,846 4.22,847 4.818,848 5.411,849 6.006,850 6.233,851 6.532,852 6.865,853 7.285,854 7.322,855 0.857,856 37,857 8.387,859 3.528,860 7.85,861 15.681,863 12.575,865 2.35,866 54.056,870 117.711,871 78.913,872 119.275,873 78.297,877 78.913,878 196.008,879 119.275,880 8.396,881 2.106,882 103.699,883 62.128,884 29.404,885 4.227,886 105.94,887 78.297,888 117.711,889 198.189,891 78.297,893 119.426,897 13.052,898 133.064,899 128.654,901 117.711,902 119.275,903 157.211,906 117.711,907 23.565,908 58.473,910 194.448,911 117.711,912 119.275,913 157.211,915 0.597,916 0.347,917 0.176,918 0.099,919 18,920 9,921 0.077,922 3,923 1,924 1.125,925 3.462,926 182.187,927 0.125,928 16,929 104.042,933 16.054,934 6.355,935 3.418,936 1.162,937 119.275,938 9.133,939 12.323,943 3.383,945 65.794,946 394.197,947 33.5,956 37.676,957 41.954,958 0.329,959 0.741,960 0.861,961 0.934,962 0.944,963 0.944,964 4.781,965 1.257,966 5.673,967 3.573,968 4.29,969 4.905,970 0.918,971 6.485,972 4.134,973 6.027,974 1.005,975 7.244,976 3.308,977 4.007,978 4.856,979 0.325,980 7.357,981 3.73,982 7.354,983 0.209,984 8.906,985 2.565,986 5.9,987 7.193,988 0.671,989 10.425,990 5.623,991 8.714,992 0.052,993 10.618,994 0.513,995 6.347,996 7.896,997 0.393,998 12.057,999 5.96,1000 10.099,1001 -0.395,1002 12.361,1003 0.117,1004 7.769,1005 9.759,1006 0.533,1007 14.658,1008 7.381,1009 11.504,1010 -0.497,1011 14.125,1012 -1.058,1013 8.555,1014 10.839,1015 0.384,1016 16.636,1017 8.081,1018 12.923,1019 -0.661,1020 15.904,1021 -1.277,1022 9.786,1023 12.495,1024 0.438,1025 19.056,1026 9.299,1027 3.084,1028 -0.815,1029 17.696,1030 -1.696,1031 10.737,1032 13.776,1033 0.351,1034 21.203,1035 10.183,1036 2.92,1037 10.18,1038 19.497,1039 -2.213,1040 11.889,1041 15.337,1042 0.366,1043 23.549,1044 11.311,1045 2.566,1046 8.988,1047 21.307,1048 4.491,1049 12.92,1050 16.722,1051 0.312,1052 25.777,1053 12.288,1054 2.292,1055 7.677,1056 23.123,1057 3.897,1058 14.041,1059 18.241,1060 0.309,1061 28.095,1062 13.378,1063 2.03,1064 6.716,1065 24.946,1066 3.257,1067 15.11,1068 19.68,1069 0.273,1070 30.363,1071 14.401,1072 1.944,1073 5.802,1074 26.773,1075 2.973,1076 16.22,1077 21.181,1078 0.262,1079 32.673,1080 15.477,1081 1.414,1082 5.75,1083 28.605,1084 2.811,1085 17.308,1086 22.647,1087 0.236,1088 34.961,1089 16.524,1090 5476,1091 10552,1092 16.126,1093 26.557,1094 37.912,1095 38.747,1096 39.377,1097 37.763,1098 37.548,1099 50.62,1100 2.178,1101 110.378,1102 34.319,1103 5.369,1104 5.343,1105 5.802,1106 5.118,1107 5.084,1108 7.491,1109 1.605,1110 17.074,1111 4.962,1112 13.426,1113 1.516,1114 1.55,1115 1.575,1116 1.511,1117 1.502,1118 2.025,1119 0.087,1120 4.415,1121 1.373,1122 4.059,1123 4.101,1124 4.122,1125 3.941,1126 5.324,1127 3.956,1128 3.91,1129 3.935,1130 4.018,1131 3.846,1132 5.042,1133 3.843,1134 3.552,1135 3.616,1136 3.547,1137 3.373,1138 4.982,1139 3.391,1140 3.303,1141 3.389,1142 3.401,1143 3.081,1144 4.811,1145 3.092,1146 3.109,1147 3.224,1148 3.327,1149 2.814,1150 4.492,1151 2.85,1152 2.89,1153 2.997,1154 3.003,1155 2.794,1156 4.37,1157 2.767,1158 2.878,1159 2.922,1160 2.975,1161 2.673,1162 4.158,1163 2.669,1164 2.769,1165 2.809,1166 2.703,1167 2.641,1168 3.959,1169 2.622,1170 0.182,1171 0.134,1172 0.26,1173 0.162,1174 0.123,1175 4.542,1176 0.18,1177 3.343,1178 0.037,1179 6.503,1180 0.407,1181 4.043,1182 0.118,1183 3.084,1184 4.491,1185 0.916,1186 10.18,1187 2.962,1188 1.981,1189 1.947,1190 2.044,1191 2.124,1192 1.193,1193 2.101,1194 1.874,1195 1.854,1196 1.933,1197 1.969,1198 1.054,1199 1.971,1200 1.491,1201 1.43,1202 1.667,1203 1.698,1204 0.785,1205 1.698,1206 1.244,1207 1.16,1208 1.506,1209 1.512,1210 0.544,1211 1.52,1212 0.999,1213 0.901,1214 1.278,1215 1.378,1216 0.184,1217 1.36,1218 0.869,1219 0.824,1220 1.199,1221 1.166,1222 0.161,1223 1.192,1224 0.863,1225 0.761,1226 1.098,1227 1.016,1229 1.059,1230 0.728,1231 0.695,1232 0.954,1233 0.917,1235 0.936,1236 3.932,1238 5.273,1240 6.806,1242 8.427,1244 10.095,1246 1.951,1247 12.001,1250 11.46,1252 0.616,1257 2.027,1262 25.417,1263 63.334,1264 142.776,1265 165.995,1266 179.995,1267 181.995,1268 181.995,1269 33.24,1270 6.97,1271 93.95,1272 93.95,1273 18,1274 12.324,1275 4.17,1276 3.248,1277 36.98,1278 81,1279 73,1280 0.228,1281 166.488,1282 273.58,1283 397.99,1284 9228,1285 5.4,1286 16.56,1287 0.72,1288 0.6,1289 17.56,1290 13.805,1291 10.936,1292 0.437,1293 0.301,1294 6.738,1295 9.996,1296 6.48,1297 5.38,1298 11.513,1299 7.532,1300 10.398,1301 0.289,1302 0.165,1303 11.139,1304 5.951,1305 8.515,1306 0.185,1307 0.09,1308 9.43,1309 4.157,1310 6.809,1311 0.117,1312 0.044,1313 7.196,1314 2.562,1315 5.527,1316 0.075,1317 0.024,1318 5.944,1319 1.761,1320 0.356,1321 74.472,1322 0.249,1323 22.545,1324 0.624,1325 122,1326 367.612,1327 163.28,1328 426.106,1329 564.7,1330 394,1331 143,1332 376.979,1333 180.554,1334 406.106,1335 591.66,1336 379,1337 6.745}
{0 CHEMBL147870,1 1.739,2 10.091,3 2.721,4 7.404,5 89.23,6 9.859,7 0.708,8 3.668,9 3.795,10 3.455,11 3.242,12 4.917,13 3.243,14 4.111,15 4.26,16 3.865,17 3.625,18 5.392,19 3.6,20 4.33,21 4.497,22 4.04,23 3.741,24 5.568,25 3.686,26 4.345,27 4.568,28 3.701,29 3.589,30 5.549,31 3.505,32 4.224,33 4.462,34 3.452,35 3.455,36 5.29,37 3.359,38 4.105,39 4.331,40 3.333,41 3.374,42 5.207,43 3.258,44 4.001,45 4.25,46 3.343,47 3.269,48 5.029,49 3.165,50 3.743,51 3.92,52 3.423,53 3.138,54 5.026,55 3.072,56 0.119,57 0.556,58 3.963,59 2.28,60 13.465,61 2.492,62 0.236,63 0.824,64 7.799,65 4.155,66 21.194,67 4.984,68 0.339,69 0.934,70 17.505,71 5.4,72 28.52,73 6.13,74 0.455,75 0.9,76 17.97,77 5.691,78 43.851,79 7.036,80 0.346,81 0.779,82 16.298,83 5.179,84 36.568,85 6.509,86 0.333,87 0.681,88 14.912,89 4.733,90 33.298,91 5.829,92 0.277,93 0.577,94 15.941,95 4.641,96 27.767,97 5.949,98 0.217,99 0.467,100 10.285,101 3.198,102 20.827,103 3.77,104 17,105 34,106 0.318,107 0.693,108 0.811,109 0.886,110 0.897,111 0.897,112 3.146,113 0.894,114 -4.41,115 -4.34,116 -4.09,119 41.2,125 1,139 4,140 2,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 4,172 3,173 3,175 4,178 4,180 1,182 3,187 3,189 5,191 1,192 1,193 2,195 3,196 4,197 1,198 4,200 2,201 3,204 2,205 1,212 2,215 3,218 1,221 2,224 2,225 1,226 1,228 1,229 4,231 1,234 1,241 3,246 5,250 1,251 2,253 1,254 2,256 2,260 3,265 1,268 1,270 1,273 608,274 14.533,275 14.533,276 14.533,277 14.533,278 14.533,279 12.367,280 18.204,281 8.408,282 15.058,283 11.822,284 11.822,285 11.822,286 11.822,287 11.822,288 8.608,289 25.521,290 4.018,291 12.826,292 3.348,293 1.293,294 0.647,295 0.235,296 0.176,297 0.176,298 3.825,299 2,300 1,301 1,302 1,303 475,304 2.449,307 183.254,311 95.662,314 1.463,315 21.987,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 47.667,327 222,328 4.541,329 3.316,330 6.502,331 4.038,332 3.079,333 4.491,334 0.657,335 10.175,336 2.957,337 4.215,338 3.131,339 5.951,340 3.735,341 2.83,342 3.87,344 8.326,345 2.551,346 3.779,347 2.72,348 5.353,349 3.387,350 2.435,351 3.236,353 6.957,354 2.311,355 3.514,356 2.41,357 5.161,358 3.088,359 2.18,360 2.829,362 6.325,363 1.911,364 3.427,365 2.175,366 5.062,367 2.959,368 2.028,369 2.811,371 5.8,372 1.852,373 3.352,374 2.126,375 4.963,376 2.872,377 1.944,378 2.673,380 5.73,381 1.789,382 2.82,383 2.032,384 4.043,385 2.306,386 1.414,387 1.949,389 3.526,390 1.199,391 2.454,392 1.073,393 3.71,394 1.945,395 1.009,396 1.435,398 2.565,399 0.942,400 1.971,401 1.043,402 3.295,403 1.699,404 0.775,405 0.895,407 1.832,408 0.702,409 1.472,410 0.68,411 2.769,412 1.029,413 0.179,414 0.219,415 0.41,416 0.129,417 1.237,418 0.193,419 2.605,420 0.773,421 -0.057,422 -0.071,423 -0.135,424 -0.044,425 0.969,426 -0.081,427 2.476,428 0.471,429 -0.439,430 -0.568,431 -1.144,432 -0.387,433 0.76,434 -0.295,435 2.375,436 0.311,437 -0.573,438 -0.7,439 -1.506,440 -0.431,441 0.586,442 -0.456,443 2.205,444 0.138,445 -0.808,446 -1.01,448 -2.035,449 -0.673,450 0.442,451 -0.726,452 1.903,453 0.103,454 -0.819,455 -1.116,457 -2.396,458 -0.77,459 10.829,460 0.492,461 0.647,462 0.029,463 32.5,464 1.477,465 17.5,466 0.795,467 15,468 0.682,469 14.512,470 0.66,471 22.771,472 0.67,473 21.445,474 0.975,475 6.389,476 0.29,477 4.135,478 0.188,479 0.206,481 0.369,485 0.953,486 1.211,487 0.537,488 0.673,489 1.098,490 0.665,491 0.628,492 0.948,493 0.574,494 0.76,495 0.491,496 0.782,497 1.038,498 1.356,499 0.855,500 1.054,501 0.877,502 1.046,503 0.845,504 0.862,505 0.933,506 1.04,507 0.818,508 1.114,509 0.904,510 1.033,511 0.821,512 1.011,513 0.99,514 1.078,515 0.969,516 0.786,517 1.047,518 1.057,519 1.159,520 1.182,521 0.957,522 0.826,523 0.861,524 0.776,525 0.858,526 0.806,527 1.062,528 1.115,529 1.132,530 1.073,531 1.01,532 1.001,533 5.5,534 0.132,535 2.667,536 1.375,537 1.631,538 0.41,539 0.303,540 0.342,541 0.176,542 0.182,543 5188,544 19490,545 2.043,546 35.3,548 6,550 1,551 5,555 1.639,556 1.886,557 3.299,558 2.824,560 1,562 1,564 59.141,565 1.739,566 3.794,567 4.44,568 4.852,569 4.911,570 4.911,571 2.738,572 4.459,573 4.434,574 3.429,575 792.112,576 7.586,577 8815.46,578 1,579 1,580 1,581 1,582 172.974,583 1.495,584 4.376,585 0.229,586 0.011,587 0.078,588 0.04,589 0.063,590 0.02,591 0.017,592 0.019,593 0.01,594 0.012,595 0.499,596 0.17,597 1,598 0.65,599 102.135,600 -0.236,601 -0.024,602 -0.024,603 0.121,604 -0.323,605 0.103,606 0.138,607 0.17,608 0.064,609 0.096,610 0.196,611 0.061,612 -0.119,613 -0.326,614 0.023,615 -0.134,616 -0.053,617 -0.15,618 0.077,619 0.124,620 -0.095,621 -0.11,622 0.086,623 -0.152,624 -0.087,625 -0.09,626 -0.043,627 -0.059,628 -0.11,629 -0.061,630 -0.093,631 0.164,632 -0.18,633 -0.089,634 -0.248,635 -0.177,636 -0.074,637 0.043,638 0.112,639 0.266,640 -0.011,641 0.297,642 -0.021,643 -0.148,644 -0.036,645 -0.079,646 0.045,647 -0.043,648 1.556,649 1.869,650 0.727,651 17.058,652 1.023,653 1.133,654 3.181,655 10.116,656 0.729,657 3.219,658 3.555,659 3.784,660 4.007,661 4.248,662 4.22,663 4.234,664 4.317,665 4.431,666 4.419,667 5.867,668 0.703,669 335.22,670 3.219,671 4.762,672 5.602,673 6.475,674 7.331,675 8.204,676 9.066,677 9.939,678 10.804,679 11.677,680 17.6,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,717 2,718 34,719 17,720 1,721 24,723 36,724 14,725 13,726 3,727 3,729 3,730 4,731 2,741 13,742 1,753 1,754 1,757 12,758 6,759 5,760 8,761 2,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,807 2,810 22,811 2,816 1,817 1,828 2,836 11.667,837 5.969,838 4.75,839 1.749,840 3.321,841 1.48,842 1.025,843 4.2,844 10.235,845 3.512,846 4.19,847 4.785,848 5.376,849 5.973,850 6.179,851 6.458,852 6.816,853 7.231,854 7.276,855 0.857,856 34,857 8.012,859 3.388,860 7.889,861 14.9,863 11.956,865 2.389,866 52.556,870 82.398,871 70.517,872 134.162,873 78.297,877 70.517,878 160.695,879 134.162,881 2.106,882 103.699,883 80.138,884 26.279,885 4.227,886 70.627,887 78.297,888 82.398,889 204.679,891 78.297,893 84.113,897 13.052,898 121.544,899 146.665,901 82.398,902 134.162,903 148.814,906 82.398,907 23.565,908 46.952,909 18.011,910 194.448,911 82.398,912 134.162,913 148.814,915 0.592,916 0.34,917 0.173,918 0.098,919 17,920 8,921 0.083,922 3,923 1,924 1.125,925 3.445,926 168.577,927 0.125,928 16,929 98.107,933 15.092,934 6.123,935 3.349,936 1.144,937 134.162,938 8.928,939 12.223,943 3.221,945 83.805,946 365.374,947 32.5,956 34.793,957 38.539,958 0.342,959 0.746,960 0.873,961 0.954,962 0.965,963 0.965,964 4.738,965 1.009,966 5.602,967 3.526,968 4.234,969 4.875,970 0.623,971 6.392,972 4.081,973 5.98,974 0.775,975 7.155,976 2.565,977 3.892,978 4.808,980 7.222,981 3.619,982 7.304,983 0.179,984 8.801,985 1.832,986 5.82,987 7.168,988 0.317,989 10.283,990 5.551,991 8.661,992 -0.057,993 10.497,994 0.41,995 6.217,996 7.861,998 11.89,999 5.838,1000 10.043,1001 -0.439,1002 12.225,1003 -0.135,1004 7.66,1005 9.736,1006 0.149,1007 14.487,1008 7.284,1009 11.445,1010 -0.573,1011 13.975,1012 -1.144,1013 8.411,1014 10.811,1016 16.46,1017 7.948,1018 12.863,1019 -0.808,1020 15.743,1021 -1.506,1022 9.653,1023 12.474,1024 0.067,1025 18.882,1026 9.18,1027 3.079,1028 -0.819,1029 17.525,1030 -2.035,1031 10.583,1032 13.753,1034 21.034,1035 10.043,1036 2.83,1037 10.175,1038 19.319,1039 -2.396,1040 11.74,1041 15.318,1042 0.03,1043 23.387,1044 11.179,1045 2.435,1046 8.326,1047 21.122,1048 4.491,1049 12.759,1050 16.704,1052 25.625,1053 12.145,1054 2.18,1055 6.957,1056 22.934,1057 3.87,1058 13.882,1059 18.225,1060 0.013,1061 27.952,1062 13.24,1063 2.028,1064 6.325,1065 24.754,1066 3.236,1067 14.945,1068 19.664,1070 30.231,1071 14.26,1072 1.944,1073 5.8,1074 26.58,1075 2.829,1076 16.056,1077 21.168,1078 0.006,1079 32.549,1080 15.339,1081 1.414,1082 5.73,1083 28.412,1084 2.811,1085 17.142,1086 22.634,1088 34.847,1089 16.386,1090 5053,1091 9912,1092 15.72,1093 24.796,1094 36.006,1095 36.911,1096 37.079,1097 35.953,1098 35.746,1099 48.812,1100 1.315,1101 103.289,1102 32.686,1103 5.365,1104 5.316,1105 5.879,1106 5.113,1107 5.079,1108 7.491,1109 1.315,1110 17.069,1111 4.957,1112 11.856,1113 1.5,1114 1.538,1115 1.545,1116 1.498,1117 1.489,1118 2.034,1119 0.055,1120 4.304,1121 1.362,1122 4.056,1123 4.098,1124 4.118,1125 3.937,1126 5.324,1127 3.953,1128 3.901,1129 3.924,1130 4.017,1131 3.843,1132 5.046,1133 3.837,1134 3.53,1135 3.596,1136 3.507,1137 3.349,1138 4.982,1139 3.369,1140 3.172,1141 3.258,1142 3.401,1143 2.954,1144 4.813,1145 2.966,1146 3.108,1147 3.221,1148 3.302,1149 2.813,1150 4.492,1151 2.849,1152 2.879,1153 2.922,1154 3.003,1155 2.791,1156 4.384,1157 2.765,1158 2.82,1159 2.879,1160 2.9,1161 2.666,1162 4.158,1163 2.668,1164 2.641,1165 2.754,1166 2.543,1167 2.342,1168 3.938,1169 2.355,1170 0.189,1171 0.138,1172 0.271,1173 0.168,1174 0.128,1175 4.541,1176 0.187,1177 3.316,1178 0.027,1179 6.502,1180 0.424,1181 4.038,1182 0.123,1183 3.079,1184 4.491,1185 0.657,1186 10.175,1187 2.957,1188 1.978,1189 1.945,1190 2.04,1191 2.122,1192 1.168,1193 2.099,1194 1.868,1195 1.849,1196 1.924,1197 1.955,1198 1.044,1199 1.959,1200 1.463,1201 1.404,1202 1.61,1203 1.679,1204 0.722,1205 1.669,1206 1.08,1207 1.003,1208 1.314,1209 1.391,1210 0.223,1211 1.38,1212 0.994,1213 0.897,1214 1.254,1215 1.357,1216 0.164,1217 1.34,1218 0.868,1219 0.824,1220 1.099,1221 1.02,1222 0.008,1223 1.061,1224 0.758,1225 0.709,1226 0.956,1227 0.963,1229 0.97,1230 0.598,1231 0.479,1232 0.892,1233 0.913,1235 0.931,1236 3.892,1238 5.22,1240 6.742,1242 8.354,1244 10.014,1247 11.866,1250 11.392,1252 0.546,1253 3.235,1262 23.891,1263 59.141,1264 129,1265 150.974,1266 164.974,1267 166.974,1268 166.974,1269 30.637,1270 6.914,1271 102.74,1272 102.74,1273 18,1274 12.22,1275 4.17,1276 3.248,1277 34.712,1278 78,1279 70,1280 0.22,1281 156.895,1282 256.28,1283 374.585,1284 8818,1285 5.9,1286 15.69,1287 0.713,1288 0.584,1289 16.69,1290 12.858,1291 10.525,1292 0.439,1293 0.298,1294 6.367,1295 9.623,1296 6.179,1297 5.103,1298 11.102,1299 7.149,1300 9.868,1301 0.29,1302 0.161,1303 10.609,1304 5.479,1305 8.057,1306 0.187,1307 0.089,1308 8.971,1309 3.81,1310 6.426,1311 0.119,1312 0.043,1313 6.827,1314 2.301,1315 5.272,1316 0.076,1317 0.023,1318 5.653,1319 1.588,1320 0.348,1321 71.802,1322 0.252,1323 21.856,1324 0.593,1325 116,1326 356.299,1327 156.919,1328 415.175,1329 549.54,1330 384,1331 135,1332 365.204,1333 171.722,1334 392.381,1335 572.16,1336 368,1337 6.319}
{0 CHEMBL147886,1 1.585,2 11.536,3 2.185,4 4.776,5 109.246,6 7.317,7 0.548,8 4.065,9 4.196,10 3.617,11 3.534,12 5.184,13 3.534,14 4.6,15 4.793,16 3.985,17 3.932,18 5.654,19 3.915,20 4.761,21 4.927,22 4.115,23 4.139,24 5.79,25 4.097,26 4.974,27 5.192,28 4.08,29 4.197,30 5.977,31 4.106,32 5.056,33 5.315,34 3.888,35 4.13,36 5.95,37 4.019,38 4.901,39 5.154,40 3.723,41 4.031,42 5.756,43 3.891,44 4.872,45 5.166,46 3.614,47 3.93,48 5.629,49 3.779,50 4.695,51 4.98,52 3.544,53 3.763,54 5.573,55 3.646,56 0.057,57 0.809,58 11.242,59 4.242,60 12.169,61 5.915,62 0.386,63 1.246,64 21.677,65 7.301,66 31.802,67 10.115,68 0.268,69 1.522,70 23.952,71 8.845,72 20.601,73 12.571,74 0.34,75 1.706,76 31.543,77 11.416,78 43.039,79 16.471,80 0.647,81 1.651,82 37.266,83 10.542,84 58.497,85 16.107,86 0.486,87 1.442,88 31.107,89 10.407,90 42.069,91 15.303,92 0.375,93 1.328,94 31.545,95 9.946,96 37.215,97 15.411,98 0.378,99 1.151,100 26.18,101 7.48,102 38.951,103 11.802,104 30,105 45,106 0.265,107 0.608,108 0.784,109 0.81,110 0.835,111 0.842,112 3.375,113 0.884,114 -3.84,115 -3.8,116 -3.61,119 38.5,120 1,121 1,124 2,125 3,139 2,140 5,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 7,169 2,170 9,172 3,173 3,175 1,178 7,180 1,181 1,182 10,187 1,189 2,191 1,192 2,193 11,195 3,196 3,197 1,198 3,200 2,201 2,204 3,205 1,206 1,207 1,212 1,215 4,218 1,220 3,221 2,223 1,224 1,226 2,229 7,231 2,234 3,241 5,246 7,248 1,249 1,251 2,254 2,256 2,259 1,260 7,265 2,270 2,273 1114,274 18.928,275 18.928,276 18.928,277 18.928,278 18.928,279 16.794,280 27.009,281 10.77,282 19.605,283 15.159,284 15.159,285 15.159,286 15.159,287 15.159,288 11.779,289 36.868,290 4.936,291 16.071,292 4.115,293 2.058,294 1.005,295 0.851,296 0.697,297 0.659,298 4.07,300 1,301 1,302 1,303 700,304 2.915,307 279.729,311 237.579,314 1.679,315 23.826,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 61,327 323,328 4.655,329 3.368,330 6.837,331 4.19,332 3.217,333 4.616,334 0.995,335 11.241,336 3.134,337 4.403,338 3.298,339 6.369,340 4.03,341 3.058,342 4.078,343 0.86,344 9.863,345 2.977,346 3.938,347 3.018,348 5.922,349 3.602,350 2.663,351 3.42,352 0.86,353 8.345,354 2.502,355 3.799,356 2.744,357 5.822,358 3.444,359 2.492,360 3.145,361 0.359,362 7.938,363 2.36,364 3.461,365 2.424,366 5.229,367 3.091,368 2.16,369 2.861,371 6.474,372 2.003,373 3.423,374 2.24,375 5.079,376 2.935,377 2.012,378 2.732,380 5.845,381 1.854,382 3.172,383 2.127,384 4.977,385 2.844,386 1.905,387 2.328,389 5.689,390 1.783,391 3.072,392 2.029,393 4.704,394 2.742,395 1.786,396 2.175,398 5.082,399 1.707,400 2.693,401 1.807,402 4.209,403 2.28,404 1.329,405 1.762,407 3.467,408 1.261,409 2.322,410 1.563,411 3.97,412 2.168,413 1.257,414 1.313,415 3.073,416 1.133,417 1.754,418 1.038,419 3.223,420 1.517,421 0.585,422 0.66,423 1.306,424 0.541,425 1.588,426 0.828,427 3,428 1.296,429 0.385,430 0.434,431 0.798,432 0.342,433 1.484,434 0.684,435 2.825,436 1.221,437 0.348,438 0.395,439 0.51,440 0.307,441 1.201,442 0.147,443 2.794,444 0.839,445 -0.104,446 -0.129,448 -0.269,449 -0.097,450 1.066,451 0.094,452 2.689,453 0.747,454 -0.198,455 -0.231,457 -0.444,458 -0.186,459 13.067,460 0.467,461 0.763,462 0.027,463 37.25,464 1.33,465 18,466 0.643,467 19.25,468 0.688,469 23.839,470 0.851,471 30.733,472 0.591,473 27.892,474 0.996,475 7.458,476 0.266,477 6.037,478 0.216,479 0.176,481 0.413,485 1.002,486 1.429,487 0.818,488 1.156,489 1.125,490 0.977,491 1.157,492 0.766,493 0.782,494 0.704,495 0.668,496 0.693,497 0.873,498 1.347,499 0.978,500 1.215,501 0.766,502 1.127,503 0.689,504 1.228,505 1.009,506 1.327,507 0.596,508 1.246,509 1.314,510 0.914,511 1.189,512 0.937,513 1.291,514 1.024,515 0.886,516 0.951,517 1.152,518 1.138,519 0.979,520 1.19,521 0.737,522 0.909,523 0.87,524 0.916,525 0.717,526 0.917,527 0.934,528 0.835,529 0.96,530 0.842,531 1.083,532 0.882,533 6.5,534 0.169,535 3.333,536 2.563,537 2.467,538 0.847,539 0.707,540 0.375,541 0.32,542 0.266,543 9759,544 25983,545 2.072,546 46.2,547 3,548 14,550 1,551 4,553 2,555 1.708,556 1.909,557 3.476,558 1.698,559 1,560 1,564 82.435,565 1.585,566 3.643,567 4.695,568 4.849,569 5.003,570 5.042,571 2.924,572 4.379,573 4.781,574 3.612,575 1365.23,576 8.301,577 17755.5,579 1,581 1,582 296.423,583 1.497,584 4.723,585 0.21,586 0.008,587 0.074,588 0.051,589 0.055,590 0.024,591 0.024,592 0.013,593 0.012,594 0.011,595 0.481,596 0.17,597 1,598 0.887,599 140.303,600 -0.097,601 -0.174,602 0.052,603 -0.059,604 -0.156,605 0.016,606 -0.017,607 0.343,608 0.174,609 0.316,610 0.189,611 0.276,612 -0.002,613 -0.185,614 -0.086,615 -0.135,616 -0.005,617 -0.123,618 0.106,619 -0.183,620 -0.083,621 -0.287,622 0.198,623 -0.236,624 -0.215,625 0.043,626 -0.185,627 0.009,628 -0.27,629 -0.067,630 -0.018,631 0.009,632 -0.188,633 -0.132,634 -0.142,635 -0.186,637 -0.038,638 0.117,639 0.074,640 0.028,641 0.109,642 -0.076,643 0.101,644 0.038,645 0.1,646 -0.099,647 0.097,648 1.526,649 2.072,650 0.714,651 24.612,652 1.004,653 1.137,654 2.614,655 6.832,656 0.65,657 3.466,658 3.829,659 4.143,660 4.443,661 4.7,662 4.787,663 4.89,664 5.03,665 5.17,666 5.187,667 6.587,668 0.621,669 380.5,670 3.466,671 5.03,672 5.905,673 6.808,674 7.697,675 8.601,676 9.494,677 10.399,678 11.294,679 12.199,680 11.5,683 1,684 2,690 3,694 2,695 3,696 3,700 8,702 17,711 2,716 2,718 52,719 17,720 1,721 31,723 55,724 20,725 13,726 4,727 2,729 4,730 6,734 1,736 1,739 1,741 13,742 7,754 1,757 24,758 8,759 4,760 8,764 6,769 0.5,770 2,775 1,776 1,781 4,785 2,799 1,802 2,806 3,810 28,811 2,816 4,818 2,821 1,829 3.8,834 2,836 14.667,837 10.3,838 6.167,839 2.867,840 3.463,841 1.438,842 1,843 5.063,844 11.377,845 3.701,846 4.369,847 5.004,848 5.62,849 6.198,850 6.492,851 6.787,852 7.118,853 7.473,854 7.556,855 0.875,856 50,857 10.293,859 4.332,860 7.667,861 19.763,863 16.185,865 2.167,866 60.667,870 235.422,871 99.187,872 119.275,874 22,877 99.187,878 257.422,879 119.275,880 30.591,881 8.852,882 84.747,883 62.128,884 61.689,885 4.227,886 223.651,888 235.422,889 218.463,890 22,893 213.595,894 45.542,897 31.748,898 134.643,899 50.357,901 235.422,902 141.275,903 99.187,906 235.422,907 40.596,908 61.716,910 138.151,911 235.422,912 141.275,913 99.187,915 0.588,916 0.362,917 0.204,918 0.111,919 23,920 11,921 0.073,922 4,923 2,924 1.2,925 3.873,926 251.237,927 0.2,928 20,929 134.606,933 18.875,934 7.51,935 3.521,936 1.308,937 141.275,938 6.005,939 12.717,943 6.753,945 65.794,946 475.884,947 39.5,956 52.218,957 59.145,958 0.278,959 0.639,960 0.824,961 0.851,962 0.878,963 0.884,964 4.965,965 1.786,966 5.916,967 5.689,968 4.511,969 5.056,970 1.793,971 6.772,972 4.409,973 6.199,974 1.329,975 7.506,976 5.082,977 4.205,978 5.047,979 0.325,980 7.735,981 4.079,982 7.536,983 1.257,984 9.19,985 3.467,986 6.155,987 7.352,988 1.535,989 10.847,990 5.982,991 8.908,992 0.585,993 10.928,994 3.073,995 6.621,996 8.131,997 0.504,998 12.6,999 6.433,1000 10.309,1001 0.385,1002 12.701,1003 1.306,1004 8.071,1005 9.957,1006 1.342,1007 15.247,1008 7.846,1009 11.731,1010 0.348,1011 14.496,1012 0.798,1013 8.899,1014 11.111,1015 0.585,1016 17.352,1017 8.661,1018 13.17,1019 -0.104,1020 16.31,1021 0.51,1022 10.154,1023 12.748,1024 1.189,1025 19.834,1026 9.887,1027 3.217,1028 -0.198,1029 18.139,1030 -0.269,1031 11.153,1032 14.088,1033 0.622,1034 22.1,1035 10.87,1036 3.058,1037 11.241,1038 19.979,1039 -0.444,1040 12.334,1041 15.648,1042 1.066,1043 24.524,1044 12.026,1045 2.663,1046 9.863,1047 21.828,1048 4.616,1049 13.412,1050 17.078,1051 0.639,1052 26.864,1053 13.085,1054 2.492,1055 8.345,1056 23.686,1057 4.078,1058 14.567,1059 18.607,1060 0.969,1061 29.27,1062 14.216,1063 2.16,1064 7.938,1065 25.552,1066 3.42,1067 15.682,1068 20.082,1069 0.646,1070 31.644,1071 15.311,1072 2.012,1073 6.474,1074 27.423,1075 3.145,1076 16.83,1077 21.601,1078 0.891,1079 34.046,1080 16.435,1081 1.905,1082 5.845,1083 29.3,1084 2.861,1085 17.963,1086 23.097,1087 0.648,1088 36.438,1089 17.545,1090 9335,1091 15355,1092 20.403,1093 33.796,1094 46.403,1095 47.493,1096 49.004,1097 46.31,1098 46.39,1099 59.835,1100 6.147,1101 139.262,1102 43.805,1103 5.6,1104 5.368,1105 6.379,1106 5.265,1107 5.217,1108 7.616,1109 1.855,1110 18.506,1111 5.134,1112 15.508,1113 1.497,1114 1.532,1115 1.581,1116 1.494,1117 1.496,1118 1.93,1119 0.198,1120 4.492,1121 1.413,1122 4.086,1123 4.125,1124 4.056,1125 3.977,1126 5.321,1127 3.99,1128 3.983,1129 4.011,1130 3.939,1131 3.895,1132 4.982,1133 3.903,1134 3.616,1135 3.671,1136 3.54,1137 3.422,1138 4.923,1139 3.444,1140 3.46,1141 3.521,1142 3.368,1143 3.264,1144 4.805,1145 3.281,1146 3.256,1147 3.321,1148 3.074,1149 3.013,1150 4.496,1151 3.011,1152 3.189,1153 3.28,1154 3.051,1155 2.962,1156 4.397,1157 2.964,1158 3.148,1159 3.238,1160 2.995,1161 2.902,1162 4.187,1163 2.902,1164 3.103,1165 3.192,1166 2.893,1167 2.87,1168 4.029,1169 2.873,1170 0.15,1171 0.109,1172 0.221,1173 0.135,1174 0.104,1175 4.655,1176 0.149,1177 3.368,1178 0.032,1179 6.837,1180 0.363,1181 4.19,1182 0.101,1183 3.217,1184 4.616,1185 0.995,1186 11.241,1187 3.134,1188 2.009,1189 1.979,1190 2.099,1191 2.141,1192 1.371,1193 2.126,1194 1.951,1195 1.928,1196 2.029,1197 2.066,1198 1.203,1199 2.059,1200 1.545,1201 1.492,1202 1.718,1203 1.774,1204 0.886,1205 1.757,1206 1.399,1207 1.342,1208 1.604,1209 1.64,1210 0.767,1211 1.636,1212 1.208,1213 1.137,1214 1.577,1215 1.526,1216 0.605,1217 1.541,1218 1.17,1219 1.083,1220 1.526,1221 1.438,1222 0.573,1223 1.469,1224 1.136,1225 1.05,1226 1.494,1227 1.391,1228 0.559,1229 1.423,1230 1.074,1231 0.986,1232 1.361,1233 1.348,1234 0.507,1235 1.354,1236 4.143,1238 5.493,1240 7.052,1242 8.711,1244 10.42,1246 5.354,1250 11.754,1252 3.512,1254 10.876,1257 2.387,1262 32.299,1263 82.435,1264 189.426,1265 244.158,1266 252.158,1267 260.158,1268 262.158,1269 39.414,1270 7.914,1271 112.41,1272 112.41,1273 24,1274 12.719,1275 4.17,1276 3.248,1277 42.576,1278 113,1279 104,1280 0.189,1281 198.383,1282 334.88,1283 475.814,1284 30441,1286 19.836,1287 0.708,1288 0.583,1289 19.836,1290 16.321,1291 13.495,1292 0.435,1293 0.295,1294 8.951,1295 12.824,1296 8.629,1297 7.185,1298 13.495,1299 9.131,1300 12.331,1301 0.274,1302 0.156,1303 12.331,1304 7.011,1305 10.751,1306 0.173,1307 0.086,1308 10.751,1309 5.326,1310 9.45,1311 0.113,1312 0.045,1313 9.45,1314 3.81,1315 7.614,1316 0.07,1317 0.025,1318 7.614,1319 2.737,1320 0.297,1321 85.659,1322 0.221,1323 26.597,1324 0.515,1325 152,1326 436.676,1327 167.998,1328 420.62,1329 584.34,1330 396,1331 183,1332 437.992,1333 199.582,1334 448.791,1335 657.35,1336 417,1337 6.886}
{0 CHEMBL149099,1 1.778,2 10.125,3 3.739,4 13.98,5 98.27,6 10.37,7 0.654,8 3.747,9 3.866,10 3.579,11 3.331,12 4.985,13 3.324,14 4.215,15 4.374,16 4.018,17 3.729,18 5.466,19 3.702,20 4.422,21 4.561,22 4.313,23 3.91,24 5.697,25 3.847,26 4.526,27 4.74,28 4.091,29 3.826,30 5.725,31 3.732,32 4.458,33 4.682,34 3.794,35 3.743,36 5.517,37 3.628,38 4.421,39 4.646,40 3.644,41 3.674,42 5.5,43 3.522,44 4.17,45 4.389,46 3.651,47 3.493,48 5.265,49 3.383,50 3.981,51 4.151,52 3.671,53 3.344,54 5.316,55 3.274,56 0.134,57 0.586,58 3.437,59 2.529,60 13.598,61 2.756,62 0.311,63 0.876,64 9.3,65 4.599,66 23.456,67 5.404,68 0.421,69 1.006,70 19.456,71 5.961,72 32.508,73 6.408,74 0.582,75 1.05,76 23.636,77 7.295,78 48.313,79 8.952,80 0.422,81 0.955,82 18.851,83 7.055,84 39.526,85 8.768,86 0.577,87 0.823,88 29.737,89 7.325,90 53.301,91 8.59,92 0.359,93 0.656,94 21.277,95 5.855,96 31.904,97 7.167,98 0.371,99 0.567,100 13.303,101 3.621,102 34.052,103 3.649,104 37,105 38,106 0.319,107 0.699,108 0.798,109 0.844,110 0.844,111 0.844,112 3.228,113 0.925,114 -4.89,115 -4.8,116 -4.5,119 40.5,124 1,125 1,139 3,140 2,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 2,169 2,170 7,172 3,173 3,175 1,178 4,180 1,182 4,187 1,189 4,191 1,192 2,193 5,195 3,196 3,197 1,198 2,200 2,201 5,204 2,205 1,207 1,212 1,215 2,218 1,220 2,221 2,223 1,224 1,226 1,229 4,231 1,241 3,246 6,248 1,249 1,251 2,254 3,256 2,260 1,268 1,273 734,274 15.533,275 15.533,276 15.533,277 15.533,278 15.533,279 13.339,280 19.285,281 8.797,282 16.199,283 12.774,284 12.774,285 12.774,286 12.774,287 12.774,288 9.508,289 26.988,290 4.177,291 14.081,292 3.432,293 1.314,294 0.764,295 0.507,296 0.507,297 0.507,298 3.902,299 3,300 1,301 1,302 1,303 515,304 2.915,307 205.302,311 107.498,314 1.469,315 25.143,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 52,327 243,328 4.542,329 3.512,330 6.503,331 4.045,332 3.088,333 4.491,334 0.916,335 10.181,336 2.962,337 4.389,338 3.158,339 6.365,340 3.929,341 3.026,342 4.075,343 0.172,344 9.56,345 2.722,346 3.863,347 2.994,348 5.939,349 3.529,350 2.625,351 3.263,353 8.179,354 2.346,355 3.657,356 2.623,357 5.291,358 3.236,359 2.299,360 3,362 6.758,363 2.065,364 3.427,365 2.49,366 5.062,367 2.962,368 2.03,369 2.811,371 5.803,372 1.882,373 3.353,374 2.171,375 4.972,376 2.873,377 1.944,378 2.676,380 5.754,381 1.796,382 3.232,383 2.038,384 4.879,385 2.707,386 1.879,387 2.481,389 5.225,390 1.441,391 2.517,392 1.844,393 4.142,394 2.186,395 1.261,396 1.52,398 3.45,399 1.141,400 2.441,401 1.32,402 3.709,403 1.943,404 1.006,405 1.419,407 2.565,408 0.94,409 1.576,410 1.058,411 3.084,412 1.141,413 0.394,414 0.437,415 0.912,416 0.225,417 1.439,418 0.393,419 2.751,420 0.958,421 0.146,422 0.181,423 0.356,424 0.119,425 1,426 0.173,427 2.653,428 0.521,429 -0.347,430 -0.445,431 -0.898,432 -0.229,433 0.984,434 -0.178,435 2.589,436 0.473,437 -0.396,438 -0.491,439 -1.06,440 -0.361,441 0.752,442 -0.273,443 2.462,444 0.429,445 -0.501,446 -0.608,448 -1.281,449 -0.46,450 0.516,451 -0.309,452 2.172,453 0.128,454 -0.815,455 -1.089,457 -2.212,458 -0.606,459 12.043,460 0.502,461 0.826,462 0.034,463 34,464 1.417,465 17.5,466 0.729,467 16.5,468 0.688,469 18.855,470 0.786,471 25.157,472 0.68,473 23.691,474 0.987,475 6.642,476 0.277,477 4.704,478 0.196,479 0.286,481 0.407,485 0.862,486 1.338,487 0.507,488 0.71,489 1.003,490 0.7,491 0.716,492 0.829,493 0.537,494 0.553,495 0.482,496 0.6,497 0.958,498 1.382,499 0.77,500 1.009,501 0.823,502 1.036,503 0.607,504 0.865,505 0.673,506 0.933,507 0.638,508 1.023,509 0.77,510 1.115,511 0.733,512 1.028,513 0.852,514 1.121,515 1.256,516 0.701,517 1.389,518 1.165,519 1.363,520 1.231,521 1.046,522 1.007,523 1.046,524 0.97,525 0.87,526 0.925,527 1.44,528 1.021,529 1.335,530 1.084,531 1.516,532 1.098,533 6.5,534 0.14,535 3.333,536 2.063,537 2.102,538 0.556,539 0.547,540 0.389,541 0.234,542 0.258,543 6154,544 24652,545 1.991,546 35.1,548 8,550 1,551 4,555 1.667,556 1.8,557 3.302,558 1.901,560 1,564 65.776,565 1.778,566 3.895,567 4.446,568 4.703,569 4.703,570 4.703,571 2.736,572 4.002,573 4.561,574 3.437,575 948.546,576 7.856,577 11085.3,578 1,579 1,581 1,582 192.75,583 1.555,584 4.478,585 0.25,586 0.009,587 0.088,588 0.052,589 0.064,590 0.021,591 0.025,592 0.017,593 0.011,594 0.014,595 0.55,596 0.17,597 1,598 0.691,599 114.011,600 -0.185,601 -0.136,602 -0.016,603 0.051,604 -0.277,605 0.055,606 0.062,607 0.302,608 0.1,609 0.282,610 0.194,611 0.242,612 -0.061,613 -0.312,614 0.075,615 -0.12,616 -0.016,617 -0.181,618 0.236,619 0.126,620 0.117,621 0.002,622 0.19,623 -0.041,624 -0.019,625 -0.166,626 0.012,627 -0.075,628 -0.055,629 -0.092,630 -0.242,631 0.191,632 -0.302,633 -0.123,634 -0.359,635 -0.174,636 -0.11,637 -0.131,638 -0.008,639 0.081,640 0.019,641 0.159,642 -0.289,643 0.022,644 -0.264,645 -0.154,646 -0.323,647 -0.233,648 1.567,649 1.968,650 0.667,651 18.465,652 1.027,653 1.132,654 3.661,655 13.405,656 0.741,657 3.296,658 3.664,659 3.912,660 4.143,661 4.369,662 4.382,663 4.419,664 4.431,665 4.575,666 4.554,667 5.921,668 0.709,669 383.69,670 3.296,671 4.86,672 5.714,673 6.603,674 7.471,675 8.359,676 9.233,677 10.119,678 10.995,679 11.881,680 16.2,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,717 3,718 37,719 17,720 1,721 26,723 39,724 15,725 13,726 4,727 2,729 3,730 4,731 3,741 13,742 2,754 1,757 13,758 6,759 4,760 9,761 3,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,807 3,810 24,811 2,816 1,821 1,828 3,836 13.333,837 6.979,838 5.139,839 1.899,840 3.302,841 1.468,842 1.007,843 4.873,844 10.363,845 3.57,846 4.263,847 4.866,848 5.46,849 6.042,850 6.286,851 6.567,852 6.88,853 7.311,854 7.378,855 0.857,856 40,857 8.751,859 3.71,860 7.91,861 16.242,863 13.057,865 2.41,866 57.833,870 105.94,871 72.938,872 119.275,873 117.446,877 72.938,878 223.386,879 119.275,880 8.396,881 2.106,882 94.223,883 62.128,884 32.904,885 4.227,886 94.169,887 117.446,888 105.94,889 192.213,891 117.446,893 107.655,897 13.052,898 127.089,899 167.803,901 105.94,902 119.275,903 190.384,906 105.94,907 27.065,908 48.997,910 233.597,911 105.94,912 119.275,913 190.384,915 0.602,916 0.353,917 0.18,918 0.099,919 19,920 10,921 0.077,922 3,923 1,924 1.125,925 3.5,926 194.752,927 0.125,928 16,929 104.039,933 17.296,934 6.762,935 3.619,936 1.117,937 119.275,938 7.099,939 12.302,943 3.287,945 65.794,946 415.599,947 34.5,956 38,957 41.898,958 0.341,959 0.748,960 0.853,961 0.903,962 0.903,963 0.903,964 4.822,965 1.261,966 5.74,967 5.225,968 4.344,969 4.949,970 0.918,971 6.569,972 4.159,973 6.079,974 1.006,975 7.324,976 3.45,977 4.111,978 4.956,979 0.325,980 7.473,981 3.786,982 7.416,983 0.394,984 9.001,985 2.565,986 5.974,987 7.252,988 0.671,989 10.554,990 5.652,991 8.785,992 0.146,993 10.726,994 0.912,995 6.463,996 7.997,997 0.393,998 12.201,999 6.007,1000 10.178,1001 -0.347,1002 12.481,1003 0.356,1004 7.867,1005 9.834,1006 0.533,1007 14.821,1008 7.414,1009 11.591,1010 -0.396,1011 14.257,1012 -0.898,1013 8.687,1014 10.943,1015 0.384,1016 16.808,1017 8.123,1018 13.018,1019 -0.501,1020 16.048,1021 -1.06,1022 9.912,1023 12.585,1024 0.438,1025 19.244,1026 9.334,1027 3.088,1028 -0.815,1029 17.851,1030 -1.281,1031 10.889,1032 13.882,1033 0.351,1034 21.393,1035 10.223,1036 3.026,1037 10.181,1038 19.663,1039 -2.212,1040 12.043,1041 15.435,1042 0.366,1043 23.75,1044 11.348,1045 2.625,1046 9.56,1047 21.483,1048 4.491,1049 13.092,1050 16.828,1051 0.312,1052 25.977,1053 12.327,1054 2.299,1055 8.179,1056 23.309,1057 4.075,1058 14.22,1059 18.342,1060 0.309,1061 28.301,1062 13.415,1063 2.03,1064 6.758,1065 25.141,1066 3.263,1067 15.303,1068 19.782,1069 0.273,1070 30.566,1071 14.439,1072 1.944,1073 5.803,1074 26.978,1075 3,1076 16.421,1077 21.28,1078 0.262,1079 32.876,1080 15.513,1081 1.879,1082 5.754,1083 28.818,1084 2.811,1085 17.521,1086 22.744,1087 0.236,1088 35.16,1089 16.56,1090 6055,1091 12266,1092 16.531,1093 27.415,1094 39.68,1095 40.977,1096 41.433,1097 39.469,1098 39.395,1099 52.705,1100 2.178,1101 117.485,1102 35.278,1103 5.371,1104 5.512,1105 5.795,1106 5.12,1107 5.088,1108 7.491,1109 1.605,1110 17.075,1111 4.962,1112 15.074,1113 1.526,1114 1.576,1115 1.594,1116 1.518,1117 1.515,1118 2.027,1119 0.084,1120 4.519,1121 1.357,1122 4.059,1123 4.101,1124 4.195,1125 3.944,1126 5.324,1127 3.958,1128 3.916,1129 3.934,1130 4.021,1131 3.859,1132 5.102,1133 3.855,1134 3.554,1135 3.616,1136 3.582,1137 3.375,1138 4.982,1139 3.393,1140 3.305,1141 3.389,1142 3.546,1143 3.085,1144 4.811,1145 3.096,1146 3.109,1147 3.224,1148 3.356,1149 2.849,1150 4.632,1151 2.85,1152 2.901,1153 2.997,1154 3.225,1155 2.814,1156 4.445,1157 2.815,1158 2.89,1159 2.918,1160 3.003,1161 2.681,1162 4.295,1163 2.674,1164 2.774,1165 2.808,1166 2.858,1167 2.642,1168 4.133,1169 2.626,1170 0.175,1171 0.135,1172 0.25,1173 0.156,1174 0.119,1175 4.542,1176 0.173,1177 3.512,1178 0.035,1179 6.503,1180 0.392,1181 4.045,1182 0.114,1183 3.088,1184 4.491,1185 0.916,1186 10.181,1187 2.962,1188 1.98,1189 1.947,1190 2.042,1191 2.124,1192 1.193,1193 2.101,1194 1.869,1195 1.855,1196 1.9,1197 1.956,1198 1.052,1199 1.957,1200 1.489,1201 1.43,1202 1.648,1203 1.691,1204 0.781,1205 1.69,1206 1.243,1207 1.16,1208 1.505,1209 1.508,1210 0.544,1211 1.517,1212 0.999,1213 0.901,1214 1.278,1215 1.378,1216 0.173,1217 1.36,1218 0.864,1219 0.827,1220 1.197,1221 1.166,1222 0.105,1223 1.192,1224 0.849,1225 0.761,1226 1,1227 0.962,1229 1.004,1230 0.724,1231 0.696,1232 0.953,1233 0.917,1235 0.935,1236 3.97,1238 5.323,1240 6.866,1242 8.499,1244 10.178,1246 1.906,1247 18.139,1250 11.464,1252 0.557,1257 1.964,1262 26.245,1263 65.776,1264 144.121,1265 164.485,1266 173.995,1267 173.995,1268 173.995,1269 39.235,1270 7.061,1271 93.95,1272 93.95,1273 18,1274 12.415,1275 4.17,1276 3.248,1277 39.4,1278 87,1279 76,1280 0.227,1281 174.821,1282 288.79,1283 418.322,1284 10305,1285 8.1,1286 17.43,1287 0.726,1288 0.619,1289 18.93,1290 14.862,1291 11.346,1292 0.436,1293 0.308,1294 6.873,1295 10.148,1296 6.58,1297 5.442,1298 12.212,1299 8.016,1300 10.915,1301 0.287,1302 0.17,1303 11.99,1304 6.454,1305 9.021,1306 0.184,1307 0.096,1308 10.518,1309 4.681,1310 7.21,1311 0.116,1312 0.047,1313 8.025,1314 2.894,1315 5.717,1316 0.073,1317 0.024,1318 6.299,1319 1.911,1320 0.356,1321 80.111,1322 0.246,1323 23.326,1324 0.625,1325 128,1326 401.815,1327 184.799,1328 488.291,1329 636.77,1330 450,1331 151,1332 404.842,1333 206.025,1334 444.033,1335 649.96,1336 414,1337 6.569}
{0 CHEMBL149301,1 1.664,2 10.875,3 1.359,4 1.848,5 92.547,6 7.771,7 0.654,8 3.863,9 3.993,10 3.452,11 3.303,12 5.079,13 3.327,14 4.332,15 4.506,16 3.782,17 3.645,18 5.516,19 3.654,20 4.456,21 4.62,22 3.864,23 3.77,24 5.621,25 3.763,26 4.578,27 4.788,28 3.756,29 3.772,30 5.725,31 3.715,32 4.602,33 4.843,34 3.524,35 3.714,36 5.587,37 3.615,38 4.472,39 4.731,40 3.335,41 3.575,42 5.439,43 3.453,44 4.372,45 4.665,46 3.261,47 3.418,48 5.233,49 3.317,50 4.113,51 4.339,52 3.309,53 3.295,54 5.191,55 3.247,56 0.104,57 0.66,58 8.34,59 3.08,60 12.572,61 4.136,62 0.373,63 0.954,64 15.571,65 5.266,66 30.611,67 6.927,68 0.327,69 1.106,70 16.627,71 5.529,72 23.256,73 7.812,74 0.459,75 1.135,76 20.474,77 6.77,78 42.479,79 9.543,80 0.488,81 1.058,82 22.834,83 6.854,84 42.624,85 10.09,86 0.398,87 0.931,88 20.063,89 6.205,90 38.103,91 9.245,92 0.345,93 0.785,94 19.718,95 5.549,96 32.014,97 8.704,98 0.258,99 0.674,100 13.498,101 4.364,102 23.879,103 6.326,104 21,105 36,106 0.291,107 0.66,108 0.779,109 0.837,110 0.846,111 0.854,112 3.228,113 0.835,114 -2.9,115 -2.91,116 -2.81,119 38.1,124 2,125 1,139 4,140 2,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 6,172 3,173 3,175 4,178 2,180 1,181 1,182 6,187 3,189 1,191 1,192 1,193 3,195 3,196 5,197 1,198 3,200 2,201 2,204 2,205 1,210 1,212 1,215 3,218 1,221 3,224 2,225 1,226 1,228 1,229 3,231 1,234 3,241 1,245 1,246 6,250 1,251 2,253 1,256 2,259 1,260 3,265 1,270 1,273 754,274 16.273,275 16.273,276 16.273,277 16.273,278 16.273,279 14.213,280 23.269,281 9.449,282 16.909,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.461,289 32.993,290 4.317,291 13.545,292 3.728,293 1.618,294 0.941,295 0.607,296 0.56,297 0.512,298 3.91,300 1,301 1,302 1,303 554,304 2.828,307 207.503,311 109.017,314 1.563,315 22.137,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 53,327 261,328 4.541,329 3.204,330 6.502,331 4.038,332 3.079,333 4.491,334 0.86,335 10.175,336 2.958,337 4.265,338 3.129,339 6.165,340 3.847,341 2.899,342 3.91,343 0.86,344 9.125,345 2.744,346 3.782,347 2.716,348 5.367,349 3.406,350 2.447,351 3.237,352 0.657,353 7.013,354 2.346,355 3.547,356 2.406,357 5.192,358 3.159,359 2.216,360 2.866,362 6.494,363 2.084,364 3.427,365 2.185,366 5.062,367 2.964,368 2.031,369 2.811,371 5.8,372 1.888,373 3.356,374 2.157,375 4.964,376 2.876,377 1.947,378 2.678,380 5.735,381 1.801,382 2.919,383 2.033,384 4.365,385 2.521,386 1.609,387 2.057,389 4.124,390 1.461,391 2.454,392 1.185,393 3.71,394 1.946,395 1.01,396 1.435,398 2.565,399 0.943,400 2.05,401 1.058,402 3.314,403 1.777,404 0.854,405 0.988,407 1.907,408 0.783,409 1.804,410 0.94,411 3.012,412 1.509,413 0.603,414 0.702,415 1.144,416 0.542,417 1.471,418 0.886,419 2.753,420 1.193,421 0.34,422 0.371,423 0.467,424 0.287,425 1.337,426 0.23,427 2.609,428 0.94,429 0.021,430 0.027,431 0.049,432 0.019,433 0.976,434 -0.031,435 2.51,436 0.516,437 -0.403,438 -0.495,439 -0.81,440 -0.367,441 0.828,442 -0.294,443 2.415,444 0.452,445 -0.468,446 -0.587,448 -1.156,449 -0.427,450 0.598,451 -0.409,452 2.232,453 0.182,454 -0.756,455 -0.91,457 -1.878,458 -0.695,459 11.067,460 0.461,461 0.571,462 0.024,463 35,464 1.458,465 18.5,466 0.771,467 16.5,468 0.688,469 15.342,470 0.639,471 26.133,472 0.622,473 25.125,474 1.047,475 7.213,476 0.301,477 4.388,478 0.183,479 0.163,481 0.361,485 1.069,486 1.389,487 0.794,488 1.098,489 1.22,490 0.907,491 1.183,492 0.855,493 0.782,494 0.781,495 0.753,496 0.732,497 1.003,498 1.422,499 0.952,500 1.189,501 0.874,502 1.073,503 0.873,504 1.01,505 1.087,506 1.187,507 0.807,508 1.188,509 1.131,510 1.034,511 1.171,512 1.059,513 1.119,514 1.125,515 0.849,516 0.891,517 1.153,518 1.096,519 1.023,520 1.17,521 0.822,522 0.751,523 0.771,524 0.728,525 0.708,526 0.73,527 0.855,528 1.034,529 0.812,530 1.015,531 0.734,532 0.931,533 5.5,534 0.169,535 2.667,536 1.5,537 1.791,538 0.535,539 0.303,540 0.342,541 0.176,542 0.192,543 6534,544 19664,545 2.04,546 42.9,548 12,550 1,551 5,555 1.664,556 1.895,557 3.403,558 2.702,559 1,560 1,562 1,564 69.909,565 1.664,566 3.774,567 4.452,568 4.785,569 4.833,570 4.88,571 2.872,572 4.168,573 4.559,574 3.539,575 976.854,576 7.841,577 11707.1,578 1,579 1,582 226.477,583 1.459,584 4.507,585 0.212,586 0.011,587 0.074,588 0.039,589 0.056,590 0.021,591 0.015,592 0.017,593 0.008,594 0.01,595 0.464,596 0.17,597 1,598 0.921,599 115.344,600 -0.169,601 -0.15,602 0.023,603 -0.04,604 -0.273,605 0.032,606 -0.036,607 0.239,608 0.14,609 0.235,610 0.139,611 0.212,612 -0.044,613 -0.285,614 -0.077,615 -0.167,616 -0.047,617 -0.128,618 0.06,619 0.042,620 -0.158,621 -0.2,622 0.104,623 -0.229,624 -0.16,625 -0.099,626 -0.189,627 -0.067,628 -0.187,629 -0.13,630 -0.05,631 0.057,632 -0.179,633 -0.114,634 -0.16,635 -0.166,636 -0.01,637 0.09,638 0.268,639 0.251,640 0.078,641 0.315,642 0.088,643 -0.075,644 0.156,645 0.004,646 0.192,647 0.077,648 1.552,649 1.881,650 0.667,651 20.153,652 1.014,653 1.14,654 1.673,655 2.799,656 0.655,657 3.296,658 3.611,659 3.871,660 4.111,661 4.331,662 4.317,663 4.344,664 4.407,665 4.522,666 4.522,667 6.312,668 0.636,669 326.4,670 3.296,671 4.828,672 5.673,673 6.547,674 7.407,675 8.282,676 9.146,677 10.021,678 10.889,679 11.764,680 14.3,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,716 2,718 42,719 17,720 1,721 26,723 44,724 16,725 13,726 3,727 3,729 3,730 4,741 13,742 3,753 1,754 1,757 18,758 8,759 5,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 1,817 1,818 2,829 4.8,834 2,836 12.667,837 8.017,838 5.417,839 2.094,840 3.345,841 1.472,842 0.988,843 4.758,844 10.44,845 3.57,846 4.22,847 4.834,848 5.43,849 6.016,850 6.238,851 6.526,852 6.852,853 7.262,854 7.322,855 1,856 38,857 8.756,859 3.601,860 7.806,861 16.397,863 12.776,865 2.306,866 55.333,870 153.024,871 95.769,872 134.162,874 22,877 95.769,878 175.024,879 134.162,880 21.766,881 2.106,882 103.699,883 80.138,884 51.765,885 4.227,886 141.253,888 153.024,889 229.93,890 22,893 154.74,894 22,897 13.052,898 146.796,899 68.367,901 153.024,902 156.161,903 95.769,906 153.024,907 27.05,908 68.719,909 18.011,910 138.151,911 153.024,912 156.161,913 95.769,915 0.577,916 0.347,917 0.19,918 0.102,919 17,920 8,921 0.114,922 5,923 1,924 1.125,925 3.616,926 189.081,927 0.125,928 16,929 110.039,933 16.392,934 6.967,935 3.565,936 1.158,937 156.161,938 9.237,939 12.299,943 3.61,945 83.805,946 404.955,947 34.5,956 42.567,957 47.9,958 0.309,959 0.7,960 0.826,961 0.887,962 0.896,963 0.905,964 4.79,965 1.01,966 5.659,967 4.124,968 4.29,969 4.905,970 1.573,971 6.457,972 4.173,973 6.015,974 0.854,975 7.213,976 2.565,977 3.892,978 4.808,980 7.322,981 3.74,982 7.334,983 0.603,984 8.86,985 1.907,986 5.878,987 7.19,988 1.27,989 10.383,990 5.669,991 8.69,992 0.34,993 10.561,994 1.144,995 6.256,996 7.878,998 12.036,999 6.006,1000 10.074,1001 0.021,1002 12.296,1003 0.467,1004 7.722,1005 9.755,1006 1.022,1007 14.621,1008 7.43,1009 11.478,1010 -0.403,1011 14.054,1012 0.049,1013 8.471,1014 10.833,1016 16.626,1017 8.135,1018 12.897,1019 -0.468,1020 15.83,1021 -0.81,1022 9.723,1023 12.494,1024 0.818,1025 19.037,1026 9.35,1027 3.079,1028 -0.756,1029 17.619,1030 -1.156,1031 10.657,1032 13.775,1034 21.203,1035 10.237,1036 2.899,1037 10.175,1038 19.421,1039 -1.878,1040 11.818,1041 15.338,1042 0.65,1043 23.546,1044 11.362,1045 2.447,1046 9.125,1047 21.231,1048 4.491,1049 12.842,1050 16.724,1052 25.786,1053 12.34,1054 2.216,1055 7.013,1056 23.05,1057 3.91,1058 13.967,1059 18.244,1060 0.511,1061 28.104,1062 13.428,1063 2.031,1064 6.494,1065 24.875,1066 3.237,1067 15.034,1068 19.683,1070 30.378,1071 14.451,1072 1.947,1073 5.8,1074 26.706,1075 2.866,1076 16.146,1077 21.185,1078 0.399,1079 32.687,1080 15.524,1081 1.609,1082 5.735,1083 28.542,1084 2.811,1085 17.234,1086 22.651,1088 34.978,1089 16.569,1090 6403,1091 11226,1092 17.107,1093 27.512,1094 38.06,1095 38.979,1096 39.921,1097 38.011,1098 38.11,1099 51.144,1100 4.755,1101 109.197,1102 35.711,1103 5.369,1104 5.204,1105 6.056,1106 5.113,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.958,1112 12.74,1113 1.464,1114 1.499,1115 1.535,1116 1.462,1117 1.466,1118 1.967,1119 0.183,1120 4.2,1121 1.373,1122 4.057,1123 4.099,1124 4.031,1125 3.935,1126 5.324,1127 3.952,1128 3.915,1129 3.936,1130 3.871,1131 3.814,1132 4.982,1133 3.825,1134 3.538,1135 3.604,1136 3.467,1137 3.347,1138 4.94,1139 3.37,1140 3.286,1141 3.353,1142 3.165,1143 3.015,1144 4.81,1145 3.04,1146 3.247,1147 3.314,1148 3.051,1149 2.951,1150 4.497,1151 2.959,1152 3.111,1153 3.226,1154 3.003,1155 2.833,1156 4.401,1157 2.855,1158 3.078,1159 3.179,1160 2.904,1161 2.798,1162 4.17,1163 2.822,1164 2.789,1165 2.867,1166 2.625,1167 2.644,1168 3.961,1169 2.626,1170 0.175,1171 0.123,1172 0.25,1173 0.155,1174 0.118,1175 4.541,1176 0.173,1177 3.204,1178 0.033,1179 6.502,1180 0.391,1181 4.038,1182 0.114,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.958,1188 1.978,1189 1.945,1190 2.043,1191 2.123,1192 1.169,1193 2.099,1194 1.869,1195 1.85,1196 1.955,1197 1.996,1198 1.051,1199 1.984,1200 1.467,1201 1.408,1202 1.631,1203 1.702,1204 0.727,1205 1.686,1206 1.212,1207 1.144,1208 1.576,1209 1.524,1210 0.574,1211 1.54,1212 1.191,1213 1.115,1214 1.549,1215 1.515,1216 0.569,1217 1.524,1218 1.036,1219 0.939,1220 1.312,1221 1.382,1222 0.22,1223 1.37,1224 0.989,1225 0.891,1226 1.253,1227 1.326,1228 0.157,1229 1.325,1230 0.808,1231 0.738,1232 1.098,1233 1.003,1235 1.037,1236 3.97,1238 5.283,1240 6.801,1242 8.416,1244 10.079,1246 3.203,1250 11.453,1252 0.558,1253 3.301,1254 10.515,1262 26.719,1263 69.909,1264 158.503,1265 186.968,1266 200.968,1267 202.968,1268 204.968,1269 32.35,1270 7.095,1271 121.2,1272 121.2,1273 18,1274 12.305,1275 4.17,1276 3.248,1277 39.521,1278 93,1279 82,1280 0.212,1281 167.407,1282 278.04,1283 400.233,1284 11138,1286 17.104,1287 0.713,1288 0.559,1289 17.104,1290 13.407,1291 11.601,1292 0.446,1293 0.278,1294 7.071,1295 10.961,1296 6.863,1297 5.755,1298 11.601,1299 7.239,1300 10.25,1301 0.285,1302 0.142,1303 10.25,1304 5.105,1305 8.647,1306 0.184,1307 0.075,1308 8.647,1309 3.535,1310 7.228,1311 0.12,1312 0.039,1313 7.228,1314 2.343,1315 5.784,1316 0.077,1317 0.021,1318 5.784,1319 1.567,1320 0.337,1321 74.138,1322 0.242,1323 23.613,1324 0.567,1325 124,1326 399.364,1327 139.637,1328 383.542,1329 527.5,1330 360,1331 145,1332 392.57,1333 160.582,1334 400.283,1335 580.12,1336 372,1337 6.252}
{0 CHEMBL150248,1 1.613,2 8.846,3 3.24,4 10.494,5 101.505,6 7.662,7 0.643,8 3.939,9 4.054,10 3.509,11 3.429,12 5.17,13 3.436,14 4.396,15 4.551,16 3.845,17 3.782,18 5.577,19 3.771,20 4.562,21 4.709,22 3.975,23 3.933,24 5.781,25 3.912,26 4.712,27 4.895,28 3.959,29 3.986,30 5.875,31 3.938,32 4.808,33 5.008,34 3.93,35 4.021,36 5.92,37 3.963,38 4.826,39 5.045,40 3.857,41 4.001,42 5.904,43 3.923,44 4.823,45 5.09,46 3.819,47 3.902,48 5.872,49 3.801,50 4.614,51 4.847,52 3.677,53 3.697,54 5.782,55 3.632,56 0.099,57 0.67,58 9.197,59 3.89,60 15.896,61 4.83,62 0.305,63 0.993,64 16.348,65 6.579,66 29.091,67 8.189,68 0.387,69 1.183,70 18.695,71 7.303,72 36.168,73 9.519,74 0.424,75 1.324,76 23.071,77 8.471,78 46.167,79 11.299,80 0.475,81 1.403,82 26.763,83 9.005,84 59.54,85 12.094,86 0.461,87 1.436,88 27.491,89 8.871,90 56.771,91 12.403,92 0.589,93 1.321,94 29.684,95 9.677,96 59.284,97 14.48,98 0.448,99 1.067,100 23.31,101 7.503,102 56.488,103 10.594,104 30,105 39,106 0.276,107 0.626,108 0.724,109 0.789,110 0.8,111 0.8,112 3.305,113 0.851,114 -3.48,115 -3.45,116 -3.3,119 41.3,121 1,124 2,139 7,140 3,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 5,172 3,173 3,175 1,178 11,180 1,182 6,185 2,187 3,189 8,191 1,192 1,193 9,195 1,196 1,197 1,198 5,200 2,201 5,204 4,205 1,207 9,212 8,215 7,218 7,221 2,226 6,229 7,231 5,233 4,234 3,236 2,237 2,239 4,241 5,243 4,246 4,249 2,250 1,251 1,253 1,254 2,260 4,262 2,263 2,265 2,273 1000,274 17.533,275 17.533,276 17.533,277 17.533,278 17.533,279 15.239,280 19.764,281 10.249,282 18.079,283 13.682,284 13.682,285 13.682,286 13.682,287 13.682,288 10.202,289 27.345,290 4.695,291 14.402,292 3.911,293 1.871,294 1.303,295 0.919,296 0.859,297 0.859,298 3.983,300 1,301 1,302 1,303 481,304 2.739,307 248.593,314 1.254,315 27.843,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 57,327 230,328 4.511,329 3.359,330 6.69,331 4.128,332 3.155,333 4.217,334 0.86,335 10.832,336 3.073,337 4.383,338 3.234,339 6.426,340 3.963,341 3.012,342 4.072,343 0.86,344 9.825,345 2.86,346 3.859,347 2.607,348 5.696,349 3.449,350 2.472,351 3.399,352 0.68,353 7.572,354 2.415,355 3.586,356 2.555,357 5.257,358 3.212,359 2.262,360 2.919,362 6.61,363 2.146,364 3.355,365 2.464,366 5.19,367 2.972,368 2.061,369 2.657,371 6.118,372 1.867,373 3.354,374 2.155,375 4.971,376 2.931,377 1.987,378 2.604,380 5.733,381 1.864,382 3.177,383 1.778,384 4.55,385 2.707,386 1.737,387 2.459,389 4.467,390 1.681,391 2.637,392 1.657,393 3.674,394 2.169,395 1.193,396 1.699,398 2.842,399 1.161,400 2.5,401 1.29,402 3.501,403 2,404 1,405 1.5,407 2.136,408 1,409 1.99,410 1,411 3.247,412 1.738,413 0.898,414 0.952,415 1.873,416 0.748,417 1.707,418 0.916,419 3.216,420 1.45,421 0.506,422 0.588,423 1.228,424 0.476,425 1.576,426 0.814,427 2.859,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.145,434 0.464,435 2.689,436 0.837,437 -0.066,438 -0.076,439 -0.12,440 -0.059,441 0.973,442 -0.272,443 2.6,444 0.527,445 -0.404,446 -0.527,448 -1.058,449 -0.374,450 0.654,451 -0.294,452 2.294,453 0.305,454 -0.618,455 -0.721,457 -1.441,458 -0.568,459 12.1,460 0.465,461 0.644,462 0.025,463 37.25,464 1.433,465 20.5,466 0.788,467 16.75,468 0.644,469 18.484,470 0.711,471 28.1,472 0.611,473 29.274,474 1.126,475 7.713,476 0.297,477 4.815,478 0.185,479 0.176,481 0.372,485 1.039,486 1.164,487 0.819,488 1.004,489 1.17,490 0.88,491 1.029,492 0.825,493 0.768,494 0.842,495 0.688,496 0.785,497 0.827,498 1.222,499 0.913,500 1.113,501 0.788,502 1.038,503 0.91,504 1.142,505 1.022,506 1.142,507 0.969,508 1.107,509 1.256,510 1.134,511 1.123,512 1.024,513 1.285,514 1.047,515 1.12,516 1.151,517 1.184,518 1.084,519 1.119,520 1.125,521 0.461,522 0.911,523 0.726,524 0.921,525 0.55,526 0.883,527 0.941,528 1.072,529 0.907,530 1.052,531 0.794,532 0.99,533 5.5,534 0.066,535 2.889,536 2.313,537 1.88,538 0.917,539 0.71,540 0.538,541 0.345,542 0.222,543 6874,544 20499,545 2.014,546 43.5,547 2,548 13,551 5,555 1.698,556 1.857,557 3.154,558 2.558,559 1,560 1,564 74.18,565 1.613,566 3.653,567 4.221,568 4.605,569 4.665,570 4.665,571 2.493,572 3.825,573 4.675,574 3.296,575 1071.11,576 8.138,577 13167.1,579 1,581 1,582 254.084,583 1.502,584 4.615,585 0.196,586 0.006,587 0.074,588 0.054,589 0.046,590 0.023,591 0.02,592 0.016,593 0.012,594 0.011,595 0.457,596 0.17,597 1,598 0.923,599 124.955,600 -0.148,601 0.02,602 0.006,603 0.045,604 -0.249,605 0.063,606 -0.006,607 0.25,608 0.134,609 0.194,610 0.071,611 0.18,612 0.111,613 -0.116,614 -0.036,615 -0.087,616 0.078,617 -0.084,618 0.014,619 -0.083,620 -0.105,621 -0.144,622 -0.016,623 -0.147,624 -0.225,625 -0.122,626 -0.167,627 -0.042,628 -0.191,629 -0.089,630 -0.205,631 -0.123,632 -0.227,633 -0.126,634 -0.217,635 -0.169,636 0.318,637 0.008,638 0.283,639 0.052,640 0.221,641 0.139,642 0.1,643 -0.135,644 0.104,645 -0.087,646 0.205,647 -0.009,648 1.719,649 4.087,650 0.692,651 19.503,652 1.01,653 1.129,654 2.247,655 5.049,656 0.663,657 3.367,658 3.689,659 3.97,660 4.234,661 4.466,662 4.477,663 4.595,664 4.663,665 4.71,666 4.691,667 5.61,668 0.64,669 352.43,670 3.367,671 4.905,672 5.759,673 6.642,674 7.516,675 8.404,676 9.286,677 10.176,678 11.06,679 11.951,680 8.7,684 2,690 2,695 7,696 2,700 9,702 18,711 2,715 1,716 2,718 46,719 18,720 2,721 28,723 48,724 19,725 16,726 5,727 7,729 3,730 3,739 1,741 16,742 3,753 1,754 1,757 20,758 7,759 5,760 7,764 4,769 1,770 3,776 1,781 3,802 3,806 2,810 26,811 2,815 1,816 1,818 2,829 6.5,831 1,834 2,836 14,837 8.683,838 5.889,839 2.34,840 3.391,841 1.477,842 0.96,843 5.373,844 10.492,845 3.638,846 4.27,847 4.862,848 5.442,849 6.002,850 6.192,851 6.56,852 6.924,853 7.284,854 7.56,855 0.833,856 43,857 9.534,859 3.976,860 7.865,861 17.784,863 14.015,865 2.365,866 61.5,869 1,870 176.567,871 117.662,872 99.365,874 64.683,877 117.662,878 241.25,879 99.365,880 21.766,881 2.535,882 132.128,883 76.254,884 44.8,885 4.227,886 176.567,888 176.567,889 217.027,890 64.683,893 176.567,894 64.683,897 7.19,898 176.266,899 33.571,901 176.567,902 164.049,903 117.662,906 176.567,907 29.562,908 88.1,910 164.049,911 176.567,912 164.049,913 117.662,915 0.576,916 0.352,917 0.197,918 0.109,919 18,920 9,921 0.104,922 5,924 1,925 3.61,926 220.921,928 18,929 110.211,933 18.138,934 7.702,935 3.804,937 164.049,938 13.073,939 8.469,943 4.125,945 108.478,946 458.277,947 37,956 46.458,957 51.943,958 0.292,959 0.661,960 0.764,961 0.834,962 0.845,963 0.845,964 4.864,965 1.193,966 5.753,967 4.467,968 4.369,969 4.956,970 1.586,971 6.581,972 4.278,973 6.088,974 1,975 7.326,976 2.842,977 4.007,978 4.808,980 7.513,981 3.872,982 7.407,983 0.898,984 8.999,985 2.136,986 5.979,987 7.187,988 1.285,989 10.626,990 5.817,991 8.763,992 0.506,993 10.729,994 1.873,995 6.415,996 7.812,998 12.36,999 6.205,1000 10.147,1001 0.396,1002 12.495,1003 1.228,1004 7.872,1005 9.685,1006 1.035,1007 15.003,1008 7.647,1009 11.552,1010 -0.066,1011 14.286,1012 0.603,1013 8.679,1014 10.686,1016 17.085,1017 8.407,1018 12.973,1019 -0.404,1020 16.096,1021 -0.12,1022 9.934,1023 12.335,1024 0.828,1025 19.556,1026 9.646,1027 3.155,1028 -0.618,1029 17.92,1030 -1.058,1031 10.918,1032 13.535,1034 21.794,1035 10.586,1036 3.012,1037 10.832,1038 19.756,1039 -1.441,1040 12.093,1041 15.073,1042 0.656,1043 24.198,1044 11.741,1045 2.472,1046 9.825,1047 21.6,1048 4.217,1049 13.158,1050 16.378,1052 26.505,1053 12.767,1054 2.262,1055 7.572,1056 23.452,1057 4.072,1058 14.303,1059 17.861,1060 0.515,1061 28.884,1062 13.888,1063 2.061,1064 6.61,1065 25.31,1066 3.399,1067 15.405,1068 19.222,1070 31.223,1071 14.956,1072 1.987,1073 6.118,1074 27.173,1075 2.919,1076 16.541,1077 20.677,1078 0.401,1079 33.593,1080 16.065,1081 1.737,1082 5.733,1083 29.04,1084 2.657,1085 17.659,1086 22.068,1088 35.947,1089 17.152,1090 6842,1091 11922,1092 18.205,1093 30.478,1094 41.556,1095 42.587,1096 43.699,1097 41.346,1098 41.356,1099 55.034,1100 4.8,1101 119.678,1102 39.266,1103 5.305,1104 5.359,1105 6.492,1106 5.199,1107 5.155,1108 7.217,1109 1.72,1110 17.982,1111 5.073,1112 14.418,1113 1.484,1114 1.521,1115 1.561,1116 1.477,1117 1.477,1118 1.966,1119 0.171,1120 4.274,1121 1.402,1122 4.03,1123 4.06,1124 3.992,1125 3.947,1126 6.469,1127 3.952,1128 3.895,1129 3.91,1130 3.853,1131 3.817,1132 5.286,1133 3.821,1134 3.724,1135 3.772,1136 3.668,1137 3.579,1138 4.979,1139 3.599,1140 3.303,1141 3.355,1142 3.165,1143 3.055,1144 4.826,1145 3.076,1146 3.285,1147 3.352,1148 3.144,1149 3.006,1150 4.755,1151 3.026,1152 3.108,1153 3.212,1154 2.922,1155 2.839,1156 4.58,1157 2.84,1158 3.008,1159 3.108,1160 2.88,1161 2.802,1162 4.371,1163 2.807,1164 2.928,1165 2.987,1166 2.78,1167 2.735,1168 4.184,1169 2.715,1170 0.161,1171 0.12,1172 0.239,1173 0.147,1174 0.113,1175 4.511,1176 0.151,1177 3.359,1178 0.031,1179 6.69,1180 0.387,1181 4.128,1182 0.11,1183 3.155,1184 4.217,1185 0.86,1186 10.832,1187 3.073,1188 1.974,1189 1.951,1190 2.061,1191 2.079,1192 1.232,1193 2.071,1194 1.872,1195 1.856,1196 1.972,1197 1.975,1198 1.079,1199 1.971,1200 1.663,1201 1.623,1202 1.753,1203 1.843,1204 0.824,1205 1.825,1206 1.227,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.219,1213 1.155,1214 1.55,1215 1.507,1216 0.56,1217 1.521,1218 1.067,1219 0.976,1220 1.349,1221 1.386,1222 0.371,1223 1.385,1224 0.934,1225 0.867,1226 1.222,1227 1.276,1228 0.218,1229 1.275,1230 0.886,1231 0.821,1232 1.181,1233 1.12,1234 0.136,1235 1.122,1236 4.043,1238 5.361,1240 6.889,1242 8.513,1244 10.189,1246 2.961,1250 11.93,1251 10.087,1252 0.42,1254 10.435,1262 29.444,1263 74.18,1264 168.026,1265 194.168,1266 211.819,1267 214.574,1268 214.574,1269 46.412,1270 7.102,1271 116.51,1272 116.51,1273 18,1274 12.48,1275 4.248,1276 3.322,1277 43.976,1278 86,1279 80,1280 0.25,1281 183.664,1282 314.09,1283 439.9,1284 10496,1286 18.681,1287 0.719,1288 0.56,1289 18.681,1290 14.561,1291 12.528,1292 0.447,1293 0.284,1294 7.795,1295 11.96,1296 7.553,1297 6.329,1298 12.528,1299 7.943,1300 11.049,1301 0.283,1302 0.146,1303 11.049,1304 5.686,1305 9.398,1306 0.181,1307 0.077,1308 9.398,1309 4.024,1310 7.9,1311 0.116,1312 0.041,1313 7.9,1314 2.782,1315 6.357,1316 0.074,1317 0.022,1318 6.357,1319 1.923,1320 0.38,1321 79.372,1322 0.234,1323 24.555,1324 0.723,1325 134,1326 419.535,1327 148.244,1328 404.599,1329 552.69,1330 378,1331 158,1332 407.445,1333 172.355,1334 416.859,1335 605.34,1336 388,1337 4.347}
{0 CHEMBL150683,1 1.565,2 8.696,3 4.542,4 20.631,5 101.087,6 7.075,7 0.5,8 3.911,9 4.05,10 3.468,11 3.451,12 4.993,13 3.382,14 4.421,15 4.625,16 3.778,17 3.802,18 5.416,19 3.704,20 4.555,21 4.747,22 3.929,23 3.964,24 5.53,25 3.872,26 4.742,27 4.934,28 4,29 4.074,30 5.755,31 3.957,32 4.851,33 5.062,34 3.819,35 4.134,36 5.764,37 3.964,38 4.978,39 5.275,40 3.625,41 4.06,42 5.775,43 3.843,44 4.849,45 5.182,46 3.623,47 3.875,48 5.537,49 3.66,50 4.54,51 4.798,52 3.609,53 3.678,54 5.543,55 3.514,56 0.056,57 0.697,58 11.425,59 4.485,60 11.804,61 6.066,62 0.254,63 1.051,64 22.437,65 7.885,66 25.937,67 10.352,68 0.122,69 1.222,70 22.401,71 8.459,72 17.875,73 11.654,74 0.341,75 1.425,76 30.486,77 9.8,78 37.479,79 13.493,80 0.24,81 1.522,82 32.916,83 11.934,84 33.354,85 16.046,86 0.336,87 1.54,88 37.521,89 12.251,90 47.85,91 17.653,92 0.212,93 1.276,94 33.154,95 11.314,96 30.679,97 16.193,98 0.41,99 1.068,100 27.867,101 7.639,102 40.859,103 10.466,104 53,105 33,106 0.272,107 0.584,108 0.769,109 0.784,110 0.784,111 0.784,112 3.189,113 1.113,114 -4.77,115 -4.68,116 -4.4,119 36.2,120 2,121 3,124 2,139 2,140 4,141 1,144 2,147 1,157 2,158 2,159 2,166 10,169 1,170 5,172 3,173 3,175 1,178 12,180 1,182 6,187 1,189 13,191 1,193 6,195 1,196 1,197 1,198 4,200 2,201 12,204 4,205 1,207 5,212 3,215 10,218 3,221 5,226 3,229 5,231 3,234 4,239 4,241 2,243 4,245 2,246 5,248 1,249 1,251 4,254 2,256 4,265 2,270 2,273 681,274 15.497,275 15.497,276 15.497,277 15.497,278 15.497,279 13.944,280 21.447,281 8.901,282 16.122,283 11.563,284 11.563,285 11.563,286 11.563,287 11.563,288 8.984,289 25.368,290 3.829,291 12.332,292 3.99,293 2.193,294 1.128,295 1.043,296 1.043,297 1.043,298 3.846,301 1,302 1,303 403,304 3,307 158.232,314 1.153,315 17.734,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 49,327 200,328 4.455,329 4.367,330 6.538,331 4.072,332 3.102,333 4.142,334 2.95,335 10.316,336 3.02,337 4.367,338 3.332,339 6.475,340 3.95,341 3.001,342 4.049,343 0.86,344 10.056,345 2.841,346 3.599,347 3.048,348 5.302,349 3.24,350 2.28,351 2.934,352 0.68,353 6.797,354 2.186,355 3.381,356 2.557,357 5.19,358 3.061,359 2.061,360 2.684,362 6.118,363 2.061,364 3.355,365 2.358,366 5.04,367 2.953,368 2.032,369 2.604,371 5.803,372 1.874,373 3.291,374 2.31,375 4.975,376 2.844,377 1.961,378 2.542,380 5.636,381 1.705,382 2.222,383 2.172,384 3.834,385 2.071,386 1.165,387 1.209,389 2.54,390 1.044,391 1.916,392 1.801,393 3.469,394 1.684,395 0.795,396 0.864,398 1.758,399 0.691,400 1.576,401 1.231,402 2.859,403 1.396,404 0.396,405 0.452,407 0.603,408 0.396,409 1.455,410 0.695,411 2.804,412 1.259,413 0.347,414 0.372,415 0.474,416 0.312,417 1.374,418 0.456,419 2.612,420 1.054,421 0.214,422 0.242,423 0.329,424 0.179,425 0.957,426 0.312,427 2.483,428 0.635,429 -0.303,430 -0.361,431 -0.605,432 -0.283,433 0.825,434 0.004,435 2.294,436 0.415,437 -0.478,438 -0.587,439 -1.146,440 -0.423,441 0.65,442 -0.324,443 2.262,444 0.306,445 -0.694,446 -0.837,448 -1.641,449 -0.664,450 0.47,451 -0.456,452 1.938,453 0.199,454 -0.734,455 -0.878,457 -1.657,458 -0.694,459 11.267,460 0.49,461 0.554,462 0.024,463 28,464 1.217,465 14,466 0.609,467 14,468 0.609,469 21.915,470 0.953,471 25.933,472 0.552,473 18.968,474 0.825,475 5.015,476 0.218,477 6.017,478 0.262,479 0.249,481 0.355,485 1.039,486 1.226,487 0.864,488 1.005,489 1.273,490 1.009,491 0.851,492 0.889,493 0.957,494 0.998,495 0.541,496 0.848,497 0.929,498 1.137,499 0.772,500 0.946,501 0.824,502 0.959,503 1.378,504 1.133,505 1.14,506 1.166,507 1.054,508 1.142,509 1.14,510 1.331,511 1.284,512 1.353,513 0.964,514 1.382,515 0.863,516 0.928,517 0.94,518 0.933,519 1.095,520 1.031,521 0.381,522 0.823,523 0.489,524 0.676,525 0.436,526 0.674,527 1.027,528 1.092,529 1.263,530 1.164,531 1.145,532 1.036,533 5.5,534 0.029,535 2.667,536 2.25,537 2.009,538 0.653,539 0.609,540 0.464,541 0.283,542 0.152,543 4588,544 11910,545 1.922,546 51.1,547 12,548 8,551 4,555 1.663,556 1.747,557 3.096,558 1.822,564 73.54,565 1.565,566 3.362,567 4.427,568 4.512,569 4.512,570 4.512,571 2.436,572 4.176,573 4.498,574 3.215,575 813.484,576 7.773,577 9172.26,579 1,582 261.066,583 1.565,584 4.417,585 0.229,586 0.006,587 0.081,588 0.059,589 0.054,590 0.021,591 0.025,592 0.019,593 0.013,594 0.012,595 0.519,597 1,598 1.141,599 106.095,600 -0.09,601 0.015,602 0.051,603 0.062,604 -0.21,605 0.042,606 0.209,607 0.204,608 0.116,609 0.111,610 0.287,611 0.188,612 -0.015,613 -0.026,614 0.103,615 0.053,616 -0.014,617 0.066,618 -0.099,619 -0.027,620 -0.105,621 -0.105,622 -0.026,623 -0.136,624 -0.192,625 -0.282,626 -0.313,627 -0.303,628 -0.105,629 -0.359,630 -0.089,631 -0.013,632 -0.062,633 -0.03,634 -0.161,635 -0.067,636 0.215,637 -0.022,638 0.372,639 0.221,640 0.23,641 0.306,642 0.199,643 -0.035,644 -0.053,645 -0.1,646 0.099,647 -0.083,648 1.45,649 2.078,650 0.522,651 16.529,652 0.992,653 1.134,654 3.541,655 12.539,656 0.654,657 3.219,658 3.526,659 3.807,660 4.06,661 4.22,662 4.19,663 4.234,664 4.263,665 4.304,666 4.174,667 5.274,668 0.601,669 332.52,670 3.219,671 4.745,672 5.595,673 6.479,674 7.347,675 8.233,676 9.106,677 9.993,678 10.868,679 11.754,680 8.5,684 2,690 2,695 2,696 2,700 8,702 12,711 2,716 1,718 47,719 12,720 1,721 24,723 48,724 17,725 10,726 4,727 2,729 2,730 2,734 2,739 3,741 10,742 7,754 1,757 24,758 5,759 4,760 6,761 1,764 4,769 1,770 1,776 1,781 2,802 2,803 1,804 1,806 4,810 23,811 2,816 3,818 1,819 1,829 2.1,834 1,836 13.167,837 9.567,838 5.444,839 2.867,840 2.313,841 1.352,842 0.95,843 6.136,844 8.879,845 3.434,846 4.043,847 4.62,848 5.169,849 5.655,850 5.808,851 6.006,852 6.292,853 6.653,854 6.871,855 0.833,856 38,857 8.458,859 3.374,860 7.638,861 16.317,863 12.725,865 2.138,866 49.167,869 1,870 235.422,871 117.834,872 99.365,874 11,876 32.22,877 85.615,878 246.422,879 99.365,880 35.724,881 7.604,882 84.747,883 33.571,884 28.986,885 5.349,886 267.642,888 235.422,889 184.98,890 11,891 32.22,893 235.422,894 11,897 27.153,898 124.256,899 33.571,900 32.22,901 235.422,902 110.365,903 117.834,906 235.422,907 63.158,908 54.676,910 110.365,911 235.422,912 110.365,913 117.834,915 0.567,916 0.362,917 0.208,918 0.109,919 14,920 8,921 0.125,922 6,924 1,925 3.284,926 178.413,928 12,929 96.042,930 1,933 17.892,934 7.887,935 3.904,937 110.365,938 4.357,939 8.396,943 7.038,945 65.794,946 463.621,947 30,956 46.647,957 53.275,958 0.282,959 0.605,960 0.797,961 0.812,962 0.812,963 0.812,964 4.663,965 0.795,966 5.595,967 2.54,968 4.205,969 4.727,970 3.035,971 6.431,972 4.098,973 5.885,974 0.396,975 7.177,976 1.758,977 3.892,978 4.691,980 7.402,981 3.757,982 7.212,983 0.347,984 8.856,985 0.603,986 5.826,987 6.966,988 5.037,989 10.482,990 5.647,991 8.576,992 0.214,993 10.588,994 0.474,995 6.293,996 7.678,998 12.225,999 6.08,1000 9.968,1001 -0.303,1002 12.354,1003 0.329,1004 7.722,1005 9.476,1006 7.185,1007 14.839,1008 7.479,1009 11.378,1010 -0.478,1011 14.144,1012 -0.605,1013 8.547,1014 10.535,1016 16.914,1017 8.266,1018 12.804,1019 -0.694,1020 15.95,1021 -1.146,1022 9.783,1023 12.136,1024 9.348,1025 19.357,1026 9.474,1027 3.102,1028 -0.734,1029 17.769,1030 -1.641,1031 10.774,1032 13.369,1034 21.575,1035 10.426,1036 3.001,1037 10.316,1038 19.599,1039 -1.657,1040 11.935,1041 14.878,1042 11.511,1043 23.949,1044 11.56,1045 2.28,1046 10.056,1047 21.437,1048 4.142,1049 12.999,1050 16.198,1052 26.227,1053 12.586,1054 2.061,1055 6.797,1056 23.282,1057 4.049,1058 14.133,1059 17.66,1060 13.675,1061 28.573,1062 13.691,1063 2.032,1064 6.118,1065 25.132,1066 2.934,1067 15.228,1068 19.025,1070 30.876,1071 14.751,1072 1.961,1073 5.803,1074 26.987,1075 2.684,1076 16.353,1077 20.464,1078 15.838,1079 33.21,1080 15.845,1081 1.165,1082 5.636,1083 28.845,1084 2.604,1085 17.462,1086 21.851,1088 35.524,1089 16.921,1090 4802,1091 7866,1092 15.027,1093 30.739,1094 34.484,1095 38.457,1096 37.973,1097 34.635,1098 34.709,1099 44.186,1100 8.98,1101 100.859,1102 32.62,1103 5.243,1104 6.367,1105 6.08,1106 5.144,1107 5.102,1108 7.142,1109 5.9,1110 17.237,1111 5.02,1112 14.65,1113 1.437,1114 1.602,1115 1.582,1116 1.443,1117 1.446,1118 1.841,1119 0.374,1120 4.202,1121 1.359,1122 4.017,1123 4.044,1124 4.041,1125 3.954,1126 5.281,1127 3.951,1128 3.836,1129 3.879,1130 3.891,1131 3.723,1132 4.979,1133 3.72,1134 3.478,1135 3.557,1136 3.493,1137 3.342,1138 4.827,1139 3.318,1140 3.364,1141 3.44,1142 3.284,1143 3.222,1144 4.442,1145 3.196,1146 3.264,1147 3.335,1148 3.221,1149 3.133,1150 4.344,1151 3.036,1152 3.217,1153 3.291,1154 3.041,1155 2.984,1156 4.069,1157 2.988,1158 3.1,1159 3.213,1160 2.946,1161 2.836,1162 3.949,1163 2.845,1164 2.911,1165 3.028,1166 2.689,1167 2.619,1168 3.891,1169 2.627,1170 0.186,1171 0.182,1172 0.272,1173 0.17,1174 0.129,1175 4.455,1176 0.173,1177 4.367,1178 0.123,1179 6.538,1180 0.43,1181 4.072,1182 0.126,1183 3.102,1184 4.142,1185 2.95,1186 10.316,1187 3.02,1188 1.981,1189 1.96,1190 2.087,1191 2.067,1192 1.321,1193 2.074,1194 1.763,1195 1.728,1196 1.839,1197 1.933,1198 1.046,1199 1.914,1200 1.513,1201 1.44,1202 1.822,1203 1.702,1204 1.012,1205 1.748,1206 1.366,1207 1.293,1208 1.639,1209 1.573,1210 0.74,1211 1.607,1212 1.215,1213 1.144,1214 1.572,1215 1.535,1216 0.626,1217 1.547,1218 1.209,1219 1.134,1220 1.513,1221 1.415,1222 0.564,1223 1.496,1224 1.044,1225 0.95,1226 1.335,1227 1.376,1228 0.342,1229 1.37,1230 0.864,1231 0.745,1232 1.216,1233 1.204,1234 0.249,1235 1.231,1236 3.892,1238 5.198,1240 6.72,1242 8.346,1244 10.024,1246 7.961,1250 11.768,1252 2.534,1254 5.578,1255 1.535,1262 28.256,1263 73.54,1264 158.007,1265 208.046,1266 212.046,1267 212.046,1268 212.046,1269 40.376,1270 6.567,1271 87.05,1272 112.35,1273 12,1274 12.288,1275 3.7,1276 2.807,1277 45.011,1278 73,1279 64,1280 0.313,1281 183.793,1282 311.6,1283 440.216,1284 4968,1286 16.983,1287 0.738,1288 0.65,1289 17.336,1290 14.958,1291 11.032,1292 0.46,1293 0.371,1294 7.696,1295 10.193,1296 7.216,1297 6.123,1298 11.59,1299 8.904,1300 9.368,1301 0.284,1302 0.184,1303 9.834,1304 6.081,1305 7.949,1306 0.181,1307 0.104,1308 8.446,1309 4.586,1310 6.826,1311 0.12,1312 0.059,1313 7.367,1314 3.36,1315 5.258,1316 0.078,1317 0.034,1318 5.694,1319 2.283,1320 0.476,1321 74.278,1322 0.258,1323 22.102,1324 0.903,1325 114,1326 306.511,1327 142.76,1328 321.922,1329 442.72,1330 302,1331 134,1332 315.584,1333 158.017,1334 336.348,1335 488.97,1336 312,1337 4.398}
{0 CHEMBL150700,1 1.681,2 8.696,3 2.066,4 4.27,5 88.286,6 7.451,7 0.5,8 3.872,9 3.989,10 3.414,11 3.236,12 5.088,13 3.269,14 4.361,15 4.537,16 3.72,17 3.547,18 5.513,19 3.572,20 4.388,21 4.509,22 3.879,23 3.718,24 5.579,25 3.737,26 4.633,27 4.799,28 3.911,29 3.83,30 5.831,31 3.81,32 4.782,33 4.972,34 3.755,35 3.86,36 5.837,37 3.805,38 4.762,39 5,40 3.563,41 3.788,42 5.749,43 3.684,44 4.73,45 5.036,46 3.58,47 3.619,48 5.671,49 3.49,50 4.38,51 4.614,52 3.46,53 3.342,54 5.495,55 3.304,56 0.13,57 0.593,58 9.275,59 3.383,60 12.922,61 4.587,62 0.565,63 0.82,64 18.027,65 5.477,66 39.144,67 7.181,68 0.425,69 0.978,70 16.189,71 5.672,72 21.798,73 7.757,74 0.618,75 1.107,76 22.198,77 7.285,78 47.426,79 10.108,80 0.773,81 1.154,82 27.767,83 7.89,84 54.289,85 11.142,86 0.639,87 1.115,88 27.546,89 7.464,90 55.084,91 11.599,92 0.86,93 0.924,94 29.314,95 7.92,96 60.135,97 13.039,98 0.559,99 0.714,100 19.178,101 4.893,102 38.559,103 7.788,104 53,105 33,106 0.298,107 0.582,108 0.666,109 0.707,110 0.758,111 0.792,112 3.189,113 0.848,114 -2.81,115 -2.82,116 -2.73,119 34.9,121 1,124 4,139 2,140 2,141 3,144 2,147 1,157 2,158 2,159 2,166 4,169 2,170 5,172 3,173 3,175 1,178 4,180 1,181 2,182 7,187 1,189 2,191 1,192 2,193 8,195 3,196 3,197 1,198 2,200 2,204 2,205 1,207 9,212 3,218 3,221 1,226 1,231 1,233 6,236 2,237 2,239 2,243 2,245 3,248 1,249 1,262 2,263 2,273 681,274 15.497,275 15.497,276 15.497,277 15.497,278 15.497,279 13.944,280 24.749,281 8.901,282 16.359,283 11.563,284 11.563,285 11.563,286 11.563,287 11.563,288 8.984,289 35.036,290 3.829,291 12.58,292 3.745,293 2.141,294 1.669,295 1.437,296 1.146,297 0.954,298 3.846,300 1,301 1,302 1,303 403,304 3,307 158.232,314 1.153,315 25.572,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 52,327 200,328 4.455,329 3.401,330 6.538,331 4.056,332 3.102,333 4.142,334 0.86,335 10.316,336 2.963,337 4.367,338 3.275,339 6.475,340 3.941,341 3.001,342 4.049,343 0.86,344 10.056,345 2.816,346 3.599,347 2.59,348 5.302,349 3.236,350 2.28,351 2.934,352 0.86,353 6.797,354 2.174,355 3.381,356 2.555,357 5.19,358 2.972,359 2.061,360 2.684,361 0.86,362 6.118,363 1.876,364 3.355,365 2.348,366 5.04,367 2.956,368 2.032,369 2.604,370 0.68,371 5.803,372 1.867,373 3.291,374 2.174,375 4.975,376 2.864,377 1.961,378 2.542,380 5.636,381 1.758,382 2.222,383 1.948,384 3.834,385 1.998,386 1.165,387 1.209,389 2.54,390 0.966,391 1.916,392 1.322,393 3.469,394 1.69,395 0.795,396 0.864,398 1.758,399 0.705,400 1.576,401 1.018,402 2.859,403 1.27,404 0.396,405 0.452,407 0.603,408 0.342,409 1.455,410 0.916,411 2.804,412 1.191,413 0.347,414 0.372,415 0.474,416 0.29,417 1.374,418 0.707,419 2.612,420 1.084,421 0.214,422 0.242,423 0.329,424 0.186,425 0.957,426 0.175,427 2.483,428 0.629,429 -0.303,430 -0.361,431 -0.605,432 -0.279,433 0.825,434 -0.26,435 2.294,436 0.422,437 -0.478,438 -0.587,439 -1.146,440 -0.429,441 0.65,442 -0.308,443 2.262,444 0.24,445 -0.694,446 -0.837,448 -1.641,449 -0.637,450 0.47,451 -0.339,452 1.938,453 0.174,454 -0.734,455 -0.878,457 -1.657,458 -0.656,459 10.433,460 0.454,461 0.554,462 0.024,463 30.5,464 1.326,465 15,466 0.652,467 15.5,468 0.674,469 17.114,470 0.744,471 26.767,472 0.622,473 23.769,474 1.033,475 6.567,476 0.286,477 4.465,478 0.194,479 0.268,481 0.383,485 1.025,486 1.518,487 0.821,488 1.34,489 1.172,490 1.057,491 1.337,492 0.639,493 0.777,494 0.614,495 0.902,496 0.588,497 0.922,498 1.426,499 0.89,500 1.261,501 0.905,502 1.083,503 0.906,504 1.16,505 1.031,506 1.274,507 0.817,508 1.195,509 1.51,510 1.154,511 1.321,512 1.122,513 1.275,514 1.185,515 1.075,516 1.125,517 1.253,518 1.184,519 1.322,520 1.24,521 0.23,522 0.75,523 0.469,524 0.777,525 0.259,526 0.706,527 0.81,528 1.192,529 0.799,530 1.09,531 0.719,532 0.971,533 5.5,534 0.029,535 2.667,536 2.25,537 2.009,538 0.653,539 0.609,540 0.464,541 0.283,542 0.152,543 4588,544 14902,545 1.922,546 46.5,547 2,548 14,551 4,555 1.663,556 1.747,557 3.096,558 1.908,559 1,560 1,562 1,564 72.287,565 1.681,566 3.285,567 3.757,568 3.99,569 4.28,570 4.472,571 2.436,572 4.176,573 4.498,574 3.215,575 813.484,576 7.773,577 9172.26,579 1,581 1,582 233.329,583 1.565,584 4.417,585 0.229,586 0.006,587 0.081,588 0.059,589 0.054,590 0.021,591 0.025,592 0.019,593 0.013,594 0.012,595 0.519,596 0.17,597 1,598 1.141,599 106.095,600 -0.131,601 -0.212,602 0.037,603 -0.168,604 -0.222,605 -0.03,606 -0.098,607 0.409,608 0.213,609 0.414,610 0.087,611 0.379,612 0.047,613 -0.156,614 -0.013,615 -0.108,616 -0.057,617 -0.069,618 0.077,619 -0.008,620 -0.114,621 -0.2,622 0.125,623 -0.204,624 -0.346,625 -0.151,626 -0.347,627 -0.102,628 -0.276,629 -0.216,630 -0.206,631 -0.125,632 -0.3,633 -0.21,634 -0.344,635 -0.262,636 0.517,637 0.035,638 0.538,639 0.162,640 0.529,641 0.323,642 0.211,643 -0.27,644 0.201,645 -0.139,646 0.283,647 -0.001,648 1.604,649 1.944,650 0.522,651 16.529,652 1.018,653 1.143,654 1.581,655 2.5,656 0.626,657 3.219,658 3.526,659 3.807,660 4.06,661 4.22,662 4.19,663 4.234,664 4.263,665 4.304,666 4.174,667 5.274,668 0.608,669 320.39,670 3.219,671 4.745,672 5.595,673 6.479,674 7.347,675 8.233,676 9.106,677 9.993,678 10.868,679 11.754,680 9.3,684 2,690 2,695 2,696 2,700 8,702 12,711 2,716 4,718 43,719 12,720 1,721 24,723 44,724 15,725 10,726 4,727 2,729 2,730 2,739 1,741 10,742 5,753 1,754 1,757 20,758 8,759 4,760 8,764 4,769 1,770 4,776 1,781 2,802 2,806 4,810 23,811 2,816 1,818 4,829 9.3,834 4,836 13.167,837 8.9,838 5.444,839 2.033,840 2.313,841 1.352,842 0.924,843 5.735,844 8.879,845 3.434,846 4.043,847 4.62,848 5.169,849 5.655,850 5.808,851 6.006,852 6.292,853 6.653,854 6.871,855 0.833,856 38,857 8.393,859 3.338,860 7.884,861 15.549,863 11.587,865 2.384,866 54.833,870 188.338,871 96.162,872 99.365,874 44,877 96.162,878 232.337,879 99.365,880 43.532,881 2.535,882 84.747,883 33.571,884 66.101,885 9.042,886 188.338,888 188.338,889 195.528,890 44,893 188.338,894 44,897 4.434,898 157.523,899 33.571,901 188.338,902 143.365,903 96.162,906 188.338,907 33.678,908 62.485,910 143.365,911 188.338,912 143.365,913 96.162,915 0.567,916 0.362,917 0.208,918 0.109,919 14,920 8,921 0.136,922 6,924 1,925 3.284,926 178.413,928 12,929 96.042,933 17.432,934 7.566,935 3.706,937 143.365,938 3.66,939 8.019,943 3.799,945 65.794,946 427.865,947 30,956 43.785,957 49.152,958 0.31,959 0.605,960 0.692,961 0.735,962 0.789,963 0.824,964 4.663,965 0.795,966 5.595,967 2.54,968 4.205,969 4.727,970 2.059,971 6.431,972 4.058,973 5.885,974 0.396,975 7.177,976 1.758,977 3.892,978 4.691,980 7.402,981 3.712,982 7.212,983 0.347,984 8.856,985 0.603,986 5.826,987 6.966,988 1.758,989 10.482,990 5.577,991 8.576,992 0.214,993 10.588,994 0.474,995 6.293,996 7.678,998 12.225,999 5.999,1000 9.968,1001 -0.303,1002 12.354,1003 0.329,1004 7.722,1005 9.476,1006 1.489,1007 14.839,1008 7.382,1009 11.378,1010 -0.478,1011 14.144,1012 -0.605,1013 8.547,1014 10.535,1016 16.914,1017 8.153,1018 12.804,1019 -0.694,1020 15.95,1021 -1.146,1022 9.783,1023 12.136,1024 1.249,1025 19.357,1026 9.35,1027 3.102,1028 -0.734,1029 17.769,1030 -1.641,1031 10.774,1032 13.369,1034 21.575,1035 10.284,1036 3.001,1037 10.316,1038 19.599,1039 -1.657,1040 11.935,1041 14.878,1042 1.034,1043 23.949,1044 11.405,1045 2.28,1046 10.056,1047 21.437,1048 4.142,1049 12.999,1050 16.198,1052 26.227,1053 12.413,1054 2.061,1055 6.797,1056 23.282,1057 4.049,1058 14.133,1059 17.66,1060 0.845,1061 28.573,1062 13.504,1063 2.032,1064 6.118,1065 25.132,1066 2.934,1067 15.228,1068 19.025,1070 30.876,1071 14.545,1072 1.961,1073 5.803,1074 26.987,1075 2.684,1076 16.353,1077 20.464,1078 0.682,1079 33.21,1080 15.624,1081 1.165,1082 5.636,1083 28.845,1084 2.604,1085 17.462,1086 21.851,1088 35.524,1089 16.681,1090 4802,1091 8754,1092 15.027,1093 26.932,1094 34.484,1095 36.222,1096 37.973,1097 34.532,1098 34.709,1099 44.186,1100 8.24,1101 100.859,1102 31.886,1103 5.243,1104 5.401,1105 6.08,1106 5.127,1107 5.102,1108 7.142,1109 1.72,1110 17.237,1111 4.963,1112 14.65,1113 1.437,1114 1.509,1115 1.582,1116 1.439,1117 1.446,1118 1.841,1119 0.343,1120 4.202,1121 1.329,1122 3.993,1123 4.016,1124 3.956,1125 3.893,1126 5.297,1127 3.903,1128 3.824,1129 3.854,1130 3.799,1131 3.649,1132 4.983,1133 3.683,1134 3.32,1135 3.38,1136 3.197,1137 3.087,1138 4.964,1139 3.108,1140 3.303,1141 3.355,1142 3.144,1143 3.006,1144 4.698,1145 3.026,1146 3.257,1147 3.328,1148 3.086,1149 2.937,1150 4.58,1151 2.955,1152 3.208,1153 3.287,1154 2.989,1155 2.901,1156 4.463,1157 2.902,1158 3.092,1159 3.205,1160 2.921,1161 2.817,1162 4.225,1163 2.823,1164 2.911,1165 3.028,1166 2.677,1167 2.619,1168 4.139,1169 2.627,1170 0.186,1171 0.142,1172 0.272,1173 0.169,1174 0.129,1175 4.455,1176 0.173,1177 3.401,1178 0.036,1179 6.538,1180 0.43,1181 4.056,1182 0.123,1183 3.102,1184 4.142,1185 0.86,1186 10.316,1187 2.963,1188 1.926,1189 1.911,1190 2.009,1191 2.051,1192 1.208,1193 2.035,1194 1.725,1195 1.694,1196 1.795,1197 1.929,1198 0.867,1199 1.891,1200 1.252,1201 1.193,1202 1.59,1203 1.558,1204 0.588,1205 1.565,1206 1.227,1207 1.163,1208 1.581,1209 1.539,1210 0.584,1211 1.551,1212 1.184,1213 1.101,1214 1.567,1215 1.527,1216 0.57,1217 1.535,1218 1.164,1219 1.077,1220 1.538,1221 1.494,1222 0.546,1223 1.515,1224 1.039,1225 0.941,1226 1.333,1227 1.373,1228 0.326,1229 1.369,1230 0.863,1231 0.744,1232 1.211,1233 1.204,1234 0.09,1235 1.23,1236 3.892,1238 5.198,1240 6.72,1242 8.346,1244 10.024,1246 6.166,1250 11.532,1252 0.423,1254 21.235,1262 26.159,1263 72.287,1264 141.272,1265 161.555,1266 171.555,1267 184.045,1268 192.31,1269 40.546,1270 6.567,1271 114.74,1272 114.74,1273 12,1274 12.288,1275 3.7,1276 2.807,1277 45.011,1278 73,1279 64,1280 0.313,1281 165.467,1282 284.86,1283 395.498,1284 4968,1286 16.983,1287 0.738,1288 0.589,1289 16.983,1290 13.544,1291 11.032,1292 0.46,1293 0.283,1294 6.567,1295 10.227,1296 6.28,1297 5.325,1298 11.032,1299 6.783,1300 9.368,1301 0.284,1302 0.141,1303 9.368,1304 4.665,1305 7.949,1306 0.181,1307 0.075,1308 7.949,1309 3.317,1310 6.826,1311 0.12,1312 0.04,1313 6.826,1314 2.274,1315 5.258,1316 0.078,1317 0.023,1318 5.258,1319 1.511,1320 0.476,1321 72.047,1322 0.258,1323 22.102,1324 0.903,1325 114,1326 422.857,1327 132.008,1328 389.579,1329 525.12,1330 366,1331 134,1332 377.506,1333 152.175,1334 384.249,1335 555.53,1336 352,1337 4}
{0 CHEMBL150863,1 1.633,2 10.143,3 3.643,4 13.271,5 108.064,6 7.649,7 0.6,8 4.024,9 4.133,10 3.599,11 3.472,12 5.234,13 3.491,14 4.499,15 4.656,16 3.921,17 3.795,18 5.669,19 3.804,20 4.613,21 4.749,22 4.041,23 3.926,24 5.77,25 3.93,26 4.763,27 4.928,28 4.059,29 3.98,30 5.944,31 3.961,32 4.876,33 5.059,34 3.988,35 4.039,36 5.948,37 4.005,38 4.872,39 5.068,40 3.962,41 4.074,42 5.927,43 4.006,44 4.969,45 5.236,46 3.985,47 4.03,48 6.013,49 3.934,50 4.789,51 5.027,52 3.837,53 3.87,54 5.879,55 3.797,56 0.107,57 0.713,58 10.067,59 4.262,60 13.16,61 5.283,62 0.465,63 1.027,64 19.046,65 7.001,66 36.203,67 8.596,68 0.474,69 1.184,70 20.109,71 7.447,72 28.544,73 9.439,74 0.628,75 1.306,76 24.694,77 8.694,78 51.085,79 11.279,80 0.756,81 1.404,82 29.584,83 9.163,84 56.834,85 11.699,86 0.495,87 1.493,88 28.032,89 9.564,90 44.581,91 13.122,92 0.876,93 1.503,94 34.774,95 10.763,96 69.654,97 16.494,98 0.64,99 1.278,100 27.894,101 8.594,102 54.752,103 12.619,104 35,105 41,106 0.275,107 0.585,108 0.687,109 0.756,110 0.774,111 0.802,112 3.375,113 0.849,114 -3.77,115 -3.73,116 -3.55,119 40,121 1,124 3,139 7,140 2,141 4,144 2,147 1,157 2,158 2,159 2,166 8,169 2,170 7,172 3,173 3,175 1,178 8,180 1,181 2,182 9,187 1,189 4,191 1,192 2,193 11,195 3,196 3,197 1,198 2,200 2,201 2,204 2,205 1,207 11,212 3,215 4,218 3,221 4,226 5,229 5,231 5,233 6,234 2,236 2,237 2,239 6,241 7,243 6,245 3,246 1,248 1,249 1,251 2,254 5,256 2,260 4,262 2,263 2,268 2,273 1262,274 19.058,275 19.058,276 19.058,277 19.058,278 19.058,279 16.753,280 26.905,281 11.221,282 19.863,283 14.636,284 14.636,285 14.636,286 14.636,287 14.636,288 11.061,289 38.524,290 5.083,291 15.68,292 4.011,293 2.177,294 1.569,295 1.161,296 1.051,297 0.885,298 4.055,300 1,301 1,302 1,303 593,304 3.082,307 279.886,314 1.439,315 28.547,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 62,327 284,328 4.461,329 3.408,330 6.541,331 4.062,332 3.109,333 4.146,334 0.86,335 10.336,336 2.966,337 4.375,338 3.31,339 6.485,340 3.95,341 3.012,342 4.055,343 0.86,344 10.114,345 2.822,346 3.888,347 2.821,348 5.437,349 3.455,350 2.506,351 3.438,352 0.86,353 7.202,354 2.374,355 3.599,356 2.555,357 5.284,358 3.233,359 2.279,360 2.934,361 0.86,362 6.741,363 2.171,364 3.374,365 2.544,366 5.19,367 2.972,368 2.061,369 2.68,370 0.68,371 6.118,372 1.874,373 3.355,374 2.192,375 4.976,376 2.947,377 2.008,378 2.604,380 5.772,381 1.867,382 3.268,383 2.093,384 4.93,385 2.82,386 1.902,387 2.531,389 5.449,390 1.735,391 2.858,392 1.948,393 3.837,394 2.387,395 1.415,396 2.012,398 3.073,399 1.37,400 2.5,401 1.526,402 3.638,403 2,404 1.159,405 1.5,407 2.511,408 1,409 2.217,410 1.131,411 3.396,412 1.991,413 1,414 1.203,415 2.136,416 0.959,417 1.818,418 1,419 3.247,420 1.582,421 0.655,422 0.734,423 1.657,424 0.603,425 1.576,426 0.942,427 2.859,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.408,434 0.916,435 2.837,436 1.157,437 0.314,438 0.337,439 0.408,440 0.263,441 1.23,442 0.268,443 2.616,444 0.838,445 -0.063,446 -0.079,448 -0.165,449 -0.057,450 0.957,451 0.133,452 2.488,453 0.627,454 -0.304,455 -0.362,457 -0.612,458 -0.279,459 12.933,460 0.462,461 0.622,462 0.022,463 39.5,464 1.411,465 21,466 0.75,467 18.5,468 0.661,469 20.766,470 0.742,471 30.867,472 0.617,473 31.686,474 1.132,475 8.304,476 0.297,477 5.246,478 0.187,479 0.178,481 0.348,485 0.997,486 1.307,487 0.791,488 1.163,489 1.157,490 0.956,491 1.213,492 0.781,493 0.789,494 0.807,495 0.83,496 0.74,497 1.063,498 1.252,499 0.926,500 1.147,501 0.974,502 1.025,503 1.025,504 1.112,505 0.997,506 1.159,507 0.853,508 1.091,509 1.665,510 1.002,511 1.254,512 0.899,513 1.401,514 0.982,515 1.063,516 1.29,517 1.181,518 1.212,519 1.165,520 1.218,521 0.364,522 0.921,523 0.68,524 0.875,525 0.565,526 0.848,527 0.749,528 1.106,529 0.903,530 1.037,531 0.922,532 1.005,533 6,534 0.112,535 2.667,536 2.313,537 2.08,538 0.826,539 0.873,540 0.538,541 0.353,542 0.275,543 8656,544 25657,545 2.013,546 44,547 2,548 16,551 4,555 1.717,556 1.867,557 3.308,558 1.698,560 1,564 81.647,565 1.633,566 3.467,567 4.075,568 4.483,569 4.593,570 4.759,571 2.686,572 3.896,573 4.78,574 3.454,575 1305.67,576 8.346,577 17068.4,579 1,581 1,582 282.193,583 1.47,584 4.727,585 0.2,586 0.006,587 0.065,588 0.051,589 0.047,590 0.02,591 0.022,592 0.013,593 0.01,594 0.011,595 0.446,596 0.17,597 1,598 0.961,599 139.018,600 -0.108,601 -0.102,602 0.039,603 -0.084,604 -0.223,605 0.005,606 -0.027,607 0.274,608 0.158,609 0.218,610 0.117,611 0.215,612 0.032,613 -0.143,614 -0.023,615 -0.113,616 -0.066,617 -0.078,618 0.089,619 -0.054,620 -0.055,621 -0.157,622 0.158,623 -0.145,624 -0.376,625 -0.002,626 -0.263,627 0.075,628 -0.318,629 -0.051,630 -0.185,631 -0.238,632 -0.255,633 -0.215,634 -0.228,635 -0.246,636 0.387,637 0.012,638 0.321,639 0.088,640 0.373,641 0.171,642 0.142,643 -0.133,644 0.085,645 -0.079,646 0.116,647 -0.022,648 1.628,649 2.403,650 0.643,651 24.082,652 1.013,653 1.131,654 2.538,655 6.442,656 0.654,657 3.434,658 3.738,659 4.007,660 4.277,661 4.477,662 4.5,663 4.595,664 4.71,665 4.787,666 4.779,667 6.128,668 0.634,669 382.46,670 3.434,671 4.963,672 5.808,673 6.686,674 7.549,675 8.432,676 9.302,677 10.188,678 11.062,679 11.948,680 8,684 2,690 2,695 7,696 2,700 9,702 18,711 2,716 4,718 50,719 18,720 2,721 30,723 52,724 20,725 16,726 5,727 7,729 3,730 3,739 1,741 16,742 4,754 1,757 22,758 8,759 4,760 8,764 4,769 1,770 4,776 1,781 3,802 3,806 3,810 28,811 2,816 1,818 4,829 8,834 4,836 15,837 9.817,838 6.444,839 2.519,840 3.359,841 1.464,842 0.959,843 6.437,844 10.593,845 3.689,846 4.297,847 4.862,848 5.422,849 5.939,850 6.095,851 6.386,852 6.796,853 7.179,854 7.468,855 0.857,856 45,857 10.249,859 4.181,860 7.804,861 19.152,863 14.719,865 2.304,866 64.5,868 1,869 1,870 211.88,871 137.904,872 99.365,874 44,877 137.904,878 255.879,879 99.365,880 32.649,881 2.535,882 132.128,883 33.571,884 71.344,885 9.042,886 211.88,888 211.88,889 237.269,890 44,893 211.88,894 44,897 4.434,898 199.265,899 33.571,901 211.88,902 143.365,903 137.904,906 211.88,907 38.921,908 98.983,910 143.365,911 211.88,912 143.365,913 137.904,915 0.568,916 0.347,917 0.199,918 0.107,919 18,920 9,921 0.135,922 7,924 1,925 3.81,926 240.722,928 18,929 122.606,933 20.044,934 8.992,935 4.6,937 143.365,938 12.929,939 8.29,943 4.242,945 65.794,946 493.149,947 39,956 50.669,957 56.568,958 0.289,959 0.614,960 0.722,961 0.794,962 0.814,963 0.843,964 4.909,965 1.415,966 5.79,967 5.449,968 4.419,969 4.984,970 2.059,971 6.6,972 4.292,973 6.12,974 1.159,975 7.348,976 3.073,977 4.007,978 4.808,980 7.496,981 3.823,982 7.43,983 1,984 9.004,985 2.511,986 6.009,987 7.19,988 1.758,989 10.593,990 5.776,991 8.776,992 0.655,993 10.717,994 2.136,995 6.399,996 7.784,998 12.297,999 6.098,1000 10.151,1001 0.396,1002 12.467,1003 1.657,1004 7.871,1005 9.659,1006 1.489,1007 14.915,1008 7.538,1009 11.546,1010 0.314,1011 14.243,1012 0.603,1013 8.643,1014 10.629,1016 16.97,1017 8.239,1018 12.958,1019 -0.063,1020 16.037,1021 0.408,1022 9.901,1023 12.278,1024 1.249,1025 19.414,1026 9.466,1027 3.109,1028 -0.304,1029 17.847,1030 -0.165,1031 10.859,1032 13.449,1034 21.624,1035 10.355,1036 3.012,1037 10.336,1038 19.668,1039 -0.612,1040 12.03,1041 14.984,1042 1.034,1043 23.999,1044 11.49,1045 2.506,1046 10.114,1047 21.498,1048 4.146,1049 13.075,1050 16.265,1052 26.275,1053 12.472,1054 2.279,1055 7.202,1056 23.337,1057 4.055,1058 14.212,1059 17.741,1060 0.845,1061 28.622,1062 13.568,1063 2.061,1064 6.741,1065 25.182,1066 3.438,1067 15.297,1068 19.081,1070 30.927,1071 14.594,1072 2.008,1073 6.118,1074 27.032,1075 2.934,1076 16.422,1077 20.526,1078 0.682,1079 33.262,1080 15.674,1081 1.902,1082 5.772,1083 28.887,1084 2.68,1085 17.527,1086 21.899,1088 35.579,1089 16.723,1090 8596,1091 14938,1092 19.592,1093 32.693,1094 43.595,1095 44.939,1096 46.247,1097 43.559,1098 43.636,1099 57.251,1100 8.24,1101 124.238,1102 40.693,1103 5.277,1104 5.408,1105 6.343,1106 5.143,1107 5.109,1108 7.146,1109 1.72,1110 17.258,1111 4.966,1112 15.288,1113 1.453,1114 1.498,1115 1.542,1116 1.452,1117 1.455,1118 1.908,1119 0.275,1120 4.141,1121 1.356,1122 4.007,1123 4.03,1124 3.969,1125 3.903,1126 5.299,1127 3.914,1128 3.886,1129 3.904,1130 3.839,1131 3.805,1132 4.983,1133 3.805,1134 3.788,1135 3.829,1136 3.743,1137 3.632,1138 4.966,1139 3.66,1140 3.32,1141 3.38,1142 3.197,1143 3.086,1144 4.861,1145 3.107,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.209,1153 3.287,1154 2.991,1155 2.901,1156 4.506,1157 2.902,1158 3.093,1159 3.205,1160 2.947,1161 2.823,1162 4.461,1163 2.832,1164 3.029,1165 3.097,1166 2.92,1167 2.774,1168 4.194,1169 2.799,1170 0.149,1171 0.114,1172 0.218,1173 0.135,1174 0.104,1175 4.461,1176 0.138,1177 3.408,1178 0.029,1179 6.541,1180 0.345,1181 4.062,1182 0.099,1183 3.109,1184 4.146,1185 0.86,1186 10.336,1187 2.966,1188 1.932,1189 1.915,1190 2.018,1191 2.058,1192 1.209,1193 2.042,1194 1.868,1195 1.846,1196 1.987,1197 1.973,1198 1.04,1199 1.974,1200 1.709,1201 1.675,1202 1.779,1203 1.896,1204 0.86,1205 1.869,1206 1.25,1207 1.19,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.573,1215 1.539,1216 0.573,1217 1.549,1218 1.164,1219 1.077,1220 1.55,1221 1.494,1222 0.558,1223 1.515,1224 1.04,1225 0.944,1226 1.333,1227 1.373,1228 0.337,1229 1.37,1230 0.913,1231 0.866,1232 1.213,1233 1.256,1234 0.218,1235 1.252,1236 4.111,1238 5.416,1240 6.929,1242 8.54,1244 10.201,1246 4.676,1250 11.888,1252 0.38,1254 22.095,1262 31.686,1263 81.647,1264 173.326,1265 203.747,1266 224.154,1267 229.663,1268 237.928,1269 46.968,1270 7.234,1271 114.74,1272 114.74,1273 18,1274 12.482,1275 4.248,1276 3.322,1277 49.34,1278 101,1279 102,1280 0.236,1281 197.253,1282 340.18,1283 473.056,1284 12768,1286 20.096,1287 0.718,1288 0.569,1289 20.096,1290 15.931,1291 13.55,1292 0.452,1293 0.283,1294 8.287,1295 12.777,1296 8.01,1297 6.739,1298 13.55,1299 8.49,1300 11.699,1301 0.285,1302 0.143,1303 11.699,1304 5.876,1305 9.785,1306 0.181,1307 0.076,1308 9.785,1309 4.082,1310 8.479,1311 0.119,1312 0.039,1313 8.479,1314 2.789,1315 6.668,1316 0.077,1317 0.022,1318 6.668,1319 1.883,1320 0.363,1321 86.854,1322 0.226,1323 26.362,1324 0.671,1325 142,1326 482.857,1327 161.337,1328 453.031,1329 619.85,1330 426,1331 166,1332 458.233,1333 185.504,1334 463.726,1335 673.18,1336 430,1337 4.347}
{0 CHEMBL157652,1 1.524,2 9.304,3 3.982,4 15.856,5 97.595,6 8.606,7 0.846,8 3.735,9 3.848,10 3.483,11 3.428,12 4.929,13 3.379,14 4.17,15 4.296,16 3.888,17 3.83,18 5.357,19 3.75,20 4.4,21 4.563,22 3.963,23 3.967,24 5.465,25 3.853,26 4.383,27 4.553,28 3.931,29 3.884,30 5.51,31 3.754,32 4.358,33 4.564,34 3.628,35 3.769,36 5.401,37 3.621,38 4.255,39 4.486,40 3.496,41 3.617,42 5.239,43 3.484,44 4.122,45 4.335,46 3.309,47 3.499,48 5.154,49 3.392,50 4.027,51 4.254,52 3.204,53 3.365,54 5.059,55 3.274,56 0.041,57 0.549,58 6.249,59 2.942,60 9.578,61 3.425,62 0.118,63 0.862,64 10.645,65 5.262,66 15.753,67 6.438,68 0.104,69 1.089,70 18.651,71 7.479,72 14.455,73 8.335,74 0.137,75 1.091,76 18.83,77 7.38,78 20.424,79 8.709,80 0.155,81 1.05,82 20.016,83 7.317,84 26.349,85 8.154,86 0.105,87 0.898,88 17.916,89 6.846,90 19.51,91 8.602,92 0.107,93 0.802,94 14.761,95 5.49,96 18.062,97 6.561,98 0.065,99 0.699,100 10.961,101 4.617,102 14.291,103 6.213,104 5,105 37,106 0.269,107 0.512,108 0.658,109 0.816,110 0.861,111 0.89,112 3.189,113 0.924,114 -5.88,115 -5.74,116 -5.34,119 48.6,139 10,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 11,169 1,170 3,172 3,173 3,175 1,178 19,180 1,182 1,189 14,193 5,195 1,196 1,197 1,198 5,200 2,201 11,204 5,205 1,207 1,212 2,215 9,218 2,221 4,226 4,229 9,231 4,234 4,239 2,241 8,243 2,246 4,251 4,254 6,256 4,260 4,265 4,268 3,270 4,273 663,274 15.74,275 15.74,276 15.74,277 15.74,278 15.74,279 13.117,280 9.818,281 9.26,282 16.094,283 12.876,284 12.876,285 12.876,286 12.876,287 12.876,288 8.991,289 10.793,290 4.422,291 13.498,292 3.685,293 2.303,294 1.479,295 0.581,296 0.324,297 0.162,298 3.892,300 1,301 1,302 1,303 476,304 2.236,307 204.19,311 174.016,314 1.274,315 13.66,317 1,318 0.75,319 0.83,320 1,321 0.6,323 1,324 1,325 0.74,326 48,327 214,328 4.62,329 4.573,330 6.772,331 4.13,332 3.174,333 4.576,334 2.95,335 11.087,336 3.035,337 4.404,338 3.312,339 6.184,340 3.908,341 2.918,342 4.335,344 9.231,345 2.891,346 3.787,347 2.878,348 5.476,349 3.327,350 2.431,351 3.239,353 7.254,354 2.161,355 3.564,356 2.703,357 5.136,358 3.09,359 2.158,360 2.989,362 6.246,363 2.001,364 3.441,365 2.14,366 5.059,367 2.954,368 2.006,369 2.848,371 5.816,372 1.899,373 3.118,374 2.078,375 4.709,376 2.648,377 1.706,378 2.427,380 4.856,381 1.618,382 3.103,383 1.618,384 4.409,385 2.618,386 1.618,387 2.337,389 4.348,390 1.594,391 2.888,392 1.464,393 3.681,394 2.392,395 1.398,396 2.076,398 3.004,399 1.386,400 2.646,401 1.295,402 3.617,403 2.167,404 1.197,405 1.708,407 2.745,408 1.154,409 2.187,410 0.933,411 3.201,412 1.693,413 0.703,414 1.037,415 1.63,416 0.693,417 1.436,418 0.661,419 3.023,420 1.014,421 0.128,422 0.161,423 0.356,424 0.111,425 1.285,426 0.395,427 2.723,428 0.822,429 -0.116,430 -0.157,431 -0.299,432 -0.108,433 1.044,434 -0.034,435 2.501,436 0.554,437 -0.392,438 -0.533,439 -1.016,440 -0.363,441 0.882,442 -0.308,443 2.344,444 0.382,445 -0.548,446 -0.693,448 -1.302,449 -0.505,450 0.813,451 -0.618,452 2.214,453 0.38,454 -0.618,455 -0.927,457 -1.598,458 -0.618,459 11.433,460 0.497,461 0.554,462 0.024,463 36,464 1.565,465 21.5,466 0.935,467 14.5,468 0.63,469 14.191,470 0.617,471 22.167,472 0.599,473 23.67,474 1.029,475 6.985,476 0.304,477 4.219,478 0.183,479 0.07,481 0.35,485 1.128,486 0.85,487 0.726,488 0.664,489 1.344,490 0.677,491 0.381,492 0.772,493 0.769,494 0.838,495 0.418,496 0.843,497 1.102,498 0.997,499 1.239,500 1.079,501 0.882,502 0.949,503 0.626,504 1.228,505 1.189,506 1.334,507 0.623,508 1.159,509 1.407,510 1.008,511 1.459,512 1.206,513 1.428,514 1.136,515 0.749,516 1,517 0.954,518 1.028,519 0.736,520 0.959,521 1.211,522 1.022,523 1.165,524 1.08,525 1.135,526 1.045,527 0.88,528 1.048,529 0.634,530 0.834,531 0.836,532 0.969,533 4.5,534 0.074,535 2.222,536 1.875,537 1.413,538 0.611,539 0.362,540 0.299,541 0.221,542 0.091,543 5794,544 15296,545 2.168,546 37.8,548 10,551 4,555 1.658,556 2.06,557 3.181,558 1.779,560 1,564 56.388,565 1.524,566 2.907,567 3.73,568 4.628,569 4.885,570 5.047,571 2.616,572 4.263,573 4.5,574 3.299,575 834.695,576 7.746,577 9248.6,579 1,581 1,582 192.75,583 1.302,584 4.469,585 0.173,586 0.009,587 0.06,588 0.049,589 0.043,590 0.024,591 0.015,592 0.014,593 0.011,594 0.006,595 0.404,596 0.17,597 0.88,598 0.503,599 106.399,600 -0.205,601 0.173,602 0.031,603 0.17,604 -0.363,605 0.123,606 0.42,607 0.214,608 0.103,609 0.083,610 0.273,611 0.02,612 -0.167,613 0.021,614 -0.082,615 0.008,616 -0.118,617 -0.011,618 0.273,619 -0.237,620 0.002,621 -0.226,622 0.26,623 -0.194,624 -0.324,625 0.02,626 -0.277,627 -0.116,628 -0.32,629 -0.157,630 0.087,631 -0.081,632 0.087,633 0.007,634 0.137,635 0.091,636 -0.202,637 -0.045,638 -0.216,639 -0.126,640 -0.17,641 -0.076,642 0.017,643 -0.142,644 0.057,645 -0.026,646 0.082,647 0.005,648 1.47,649 2.058,650 0.87,651 15.558,652 0.997,653 1.108,654 4.651,655 21.635,656 0.743,657 3.296,658 3.638,659 3.932,660 4.248,661 4.489,662 4.533,663 4.595,664 4.771,665 4.883,666 4.875,667 5.422,668 0.7,669 318.43,670 3.296,671 4.844,672 5.707,673 6.6,674 7.476,675 8.373,676 9.253,677 10.151,678 11.032,679 11.931,680 10.8,684 2,690 2,694 4,695 10,696 2,700 4,702 22,711 2,718 37,719 22,720 3,721 26,723 40,724 18,725 18,726 6,727 10,729 4,730 6,741 18,754 1,757 14,758 4,759 4,760 5,761 1,764 4,769 0.5,776 1,781 4,785 2,802 2,803 1,804 1,810 23,811 2,819 1,836 11.167,837 6.567,838 4.944,839 2.033,840 4.595,841 1.616,842 1.077,843 3.467,844 12.059,845 3.638,846 4.344,847 5.017,848 5.69,849 6.304,850 6.616,851 7.003,852 7.487,853 7.932,854 8.104,855 1,856 38,857 8.425,859 3.619,860 7.638,861 16.161,863 13.489,865 2.138,866 49.167,870 117.711,871 144.174,872 99.365,876 32.22,877 111.954,878 117.711,879 99.365,882 160.557,883 33.571,884 12.964,885 4.227,886 149.931,888 117.711,889 211.319,891 32.22,893 117.711,897 4.043,898 173.705,899 33.571,900 32.22,901 117.711,902 99.365,903 144.174,906 117.711,907 49.411,908 94.762,910 99.365,911 117.711,912 99.365,913 144.174,915 0.585,916 0.345,917 0.201,918 0.109,919 20,920 8,921 0.05,922 2,923 2,924 1.2,925 3.547,926 192.777,927 0.2,928 20,929 104.042,930 1,933 14.158,934 5.633,935 2.662,936 4.053,937 99.365,938 20.598,939 8.347,943 2.78,945 65.794,946 361.25,947 37,956 36.902,957 40.989,958 0.293,959 0.558,960 0.716,961 0.888,962 0.938,963 0.969,964 4.856,965 1.398,966 5.694,967 4.348,968 4.317,969 5.03,970 2.913,971 6.518,972 4.227,973 6.099,974 1.197,975 7.253,976 3.004,977 3.892,978 4.913,980 7.416,981 3.738,982 7.426,983 0.703,984 8.913,985 2.745,986 5.916,987 7.376,988 5.027,989 10.546,990 5.746,991 8.791,992 0.128,993 10.631,994 1.63,995 6.293,996 8.087,998 12.299,999 6.072,1000 10.186,1001 -0.116,1002 12.39,1003 0.356,1004 7.797,1005 10.013,1006 7.185,1007 14.944,1008 7.562,1009 11.605,1010 -0.392,1011 14.177,1012 -0.299,1013 8.571,1014 11.139,1016 17.067,1017 8.295,1018 13.044,1019 -0.548,1020 15.985,1021 -1.016,1022 9.854,1023 12.828,1024 9.348,1025 19.543,1026 9.56,1027 3.174,1028 -0.618,1029 17.81,1030 -1.302,1031 10.822,1032 14.157,1034 21.823,1035 10.49,1036 2.918,1037 11.087,1038 19.649,1039 -1.598,1040 12.012,1041 15.741,1042 11.511,1043 24.241,1044 11.656,1045 2.431,1046 9.231,1047 21.5,1048 4.576,1049 13.071,1050 17.166,1052 26.587,1053 12.677,1054 2.158,1055 7.254,1056 23.359,1057 4.335,1058 14.225,1059 18.704,1060 13.675,1061 28.988,1062 13.801,1063 2.006,1064 6.246,1065 25.226,1066 3.239,1067 15.326,1068 20.172,1070 31.363,1071 14.863,1072 1.706,1073 5.816,1074 27.099,1075 2.989,1076 16.468,1077 21.691,1078 15.838,1079 33.76,1080 15.97,1081 1.618,1082 4.856,1083 28.978,1084 2.848,1085 17.589,1086 23.18,1088 36.148,1089 17.05,1090 5416,1091 8930,1092 17.8,1093 27.478,1094 39.08,1095 41.914,1096 39.919,1097 38.898,1098 38.876,1099 55.466,1100 5.9,1101 113.143,1102 37.088,1103 5.382,1104 6.573,1105 6.459,1106 5.258,1107 5.174,1108 7.576,1109 5.9,1110 18.006,1111 5.035,1112 8.372,1113 1.503,1114 1.612,1115 1.535,1116 1.496,1117 1.495,1118 2.133,1119 0.227,1120 4.352,1121 1.426,1122 4.101,1123 4.123,1124 4.176,1125 4.074,1126 5.306,1127 4.057,1128 4.02,1129 4.049,1130 3.985,1131 3.952,1132 4.982,1133 3.955,1134 3.493,1135 3.543,1136 3.643,1137 3.441,1138 4.896,1139 3.405,1140 3.424,1141 3.475,1142 3.346,1143 3.257,1144 4.685,1145 3.277,1146 3.131,1147 3.232,1148 3.125,1149 3.014,1150 4.31,1151 2.982,1152 3.044,1153 3.097,1154 2.954,1155 2.916,1156 4.157,1157 2.912,1158 2.846,1159 2.916,1160 2.861,1161 2.686,1162 3.865,1163 2.669,1164 2.714,1165 2.798,1166 2.626,1167 2.562,1168 3.782,1169 2.556,1170 0.178,1171 0.176,1172 0.26,1173 0.159,1174 0.122,1175 4.62,1176 0.176,1177 4.573,1178 0.113,1179 6.772,1180 0.426,1181 4.13,1182 0.117,1183 3.174,1184 4.576,1185 2.95,1186 11.087,1187 3.035,1188 2.073,1189 2.058,1190 2.144,1191 2.124,1192 1.289,1193 2.135,1194 1.991,1195 1.968,1196 2.041,1197 2.09,1198 1.174,1199 2.082,1200 1.479,1201 1.449,1202 1.619,1203 1.62,1204 0.703,1205 1.619,1206 1.376,1207 1.314,1208 1.529,1209 1.552,1210 0.426,1211 1.576,1212 1.081,1213 1.038,1214 1.286,1215 1.382,1216 0.367,1217 1.366,1218 1.031,1219 0.966,1220 1.276,1221 1.194,1222 0.217,1223 1.23,1224 0.811,1225 0.737,1226 1.045,1227 1.033,1228 0.03,1229 1.05,1230 0.684,1231 0.624,1232 0.942,1233 0.914,1235 0.954,1236 3.97,1238 5.303,1240 6.847,1242 8.491,1244 10.186,1250 11.738,1255 1.651,1262 25.907,1263 56.388,1264 107.556,1265 138.021,1266 171.24,1267 180.75,1268 186.75,1269 25.383,1270 7.465,1271 77.82,1272 103.12,1273 24,1274 12.457,1275 4.524,1276 3.585,1277 31.85,1278 75,1279 69,1280 0.21,1281 162.893,1282 263.03,1283 389.219,1284 17950,1286 15.811,1287 0.687,1288 0.567,1289 16.165,1290 13.047,1291 11.204,1292 0.431,1293 0.308,1294 7.212,1295 10.531,1296 6.977,1297 5.786,1298 11.612,1299 8.006,1300 10.302,1301 0.278,1302 0.171,1303 10.97,1304 6.344,1305 8.659,1306 0.173,1307 0.095,1308 9.401,1309 4.729,1310 7.909,1311 0.115,1312 0.053,1313 8.818,1314 3.675,1315 6.38,1316 0.072,1317 0.03,1318 7.288,1319 2.648,1320 0.324,1321 72.697,1322 0.237,1323 22.302,1324 0.593,1325 126,1326 314.775,1327 158.006,1328 343.037,1329 486.44,1330 322,1331 150,1332 360.067,1333 177.376,1334 386.713,1335 567.82,1336 366,1337 8.15}
{0 CHEMBL162270,1 1.622,2 10.185,3 2.652,4 7.031,5 106.892,6 7.389,7 0.586,8 4.019,9 4.144,10 3.569,11 3.451,12 5.196,13 3.463,14 4.517,15 4.701,16 3.903,17 3.799,18 5.622,19 3.803,20 4.622,21 4.767,22 4.061,23 3.996,24 5.749,25 3.984,26 4.836,27 5.017,28 4.094,29 4.1,30 5.936,31 4.046,32 5.009,33 5.234,34 3.951,35 4.112,36 6.011,37 4.026,38 4.956,39 5.196,40 3.777,41 4.041,42 5.873,43 3.928,44 4.882,45 5.152,46 3.653,47 3.952,48 5.786,49 3.815,50 4.812,51 5.121,52 3.611,53 3.78,54 5.645,55 3.659,56 0.082,57 0.739,58 10.69,59 4.038,60 12.604,61 5.484,62 0.439,63 1.082,64 20.3,65 6.51,66 33.399,67 8.754,68 0.405,69 1.3,70 20.67,71 7.394,72 21.858,73 10.226,74 0.428,75 1.496,76 26.611,77 9.765,78 35.098,79 13.79,80 0.75,81 1.581,82 34.767,83 10.329,84 61.309,85 14.839,86 0.634,87 1.446,88 33.584,89 10.29,90 49.173,91 14.897,92 0.484,93 1.345,94 31.353,95 9.817,96 50.956,97 14.838,98 0.428,99 1.148,100 30.918,101 9.07,102 42.521,103 14.221,104 46,105 41,106 0.274,107 0.606,108 0.722,109 0.778,110 0.787,111 0.815,112 3.34,113 0.858,114 -3.2,115 -3.19,116 -3.06,119 38,124 4,125 1,139 5,140 2,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 8,172 3,173 3,175 1,178 5,180 1,181 2,182 7,187 1,189 2,191 1,192 3,193 6,195 1,196 1,197 1,198 4,200 2,201 2,204 4,205 1,206 3,207 2,209 1,210 1,212 3,215 4,218 3,221 2,226 1,229 2,231 1,234 9,236 1,237 1,239 2,241 2,243 2,246 4,259 4,260 3,262 2,263 2,265 2,270 2,273 1031,274 18.196,275 18.196,276 18.196,277 18.196,278 18.196,279 16.139,280 26.703,281 10.437,282 18.985,283 14.097,284 14.097,285 14.097,286 14.097,287 14.097,288 10.779,289 39.885,290 4.637,291 15.086,292 4.022,293 2.056,294 1.368,295 1.041,296 0.986,297 0.82,298 4.018,300 1,301 1,302 1,303 576,304 3.391,307 229.169,311 120.796,314 1.377,315 23.927,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 59.5,327 275,328 4.618,329 3.402,330 6.773,331 4.153,332 3.181,333 4.574,334 0.916,335 11.091,336 3.1,337 4.438,338 3.266,339 6.546,340 4.03,341 3.084,342 4.118,343 0.86,344 10.343,345 2.909,346 3.837,347 2.932,348 5.972,349 3.547,350 2.621,351 3.209,352 0.86,353 8.376,354 2.424,355 3.664,356 2.555,357 5.33,358 3.229,359 2.293,360 3.025,361 0.86,362 6.736,363 2.142,364 3.449,365 2.448,366 5.19,367 2.972,368 2.061,369 2.858,370 0.172,371 6.118,372 1.91,373 3.355,374 2.078,375 5.061,376 2.961,377 2.01,378 2.604,380 5.822,381 1.867,382 3.143,383 2.04,384 4.802,385 2.745,386 1.79,387 2.37,389 5.139,390 1.701,391 2.703,392 1.927,393 4.217,394 2.3,395 1.363,396 1.778,398 3.557,399 1.276,400 2.492,401 1.42,402 3.681,403 2.136,404 1.189,405 1.49,407 2.731,408 1.119,409 2.1,410 1.223,411 3.637,412 1.861,413 1,414 1.077,415 2.092,416 0.852,417 1.576,418 0.959,419 2.874,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.401,426 0.916,427 2.859,428 1.151,429 0.311,430 0.332,431 0.398,432 0.259,433 1.285,434 0.271,435 2.72,436 0.916,437 -0.037,438 -0.044,439 -0.099,440 -0.035,441 1.216,442 0.086,443 2.494,444 0.812,445 -0.135,446 -0.183,448 -0.34,449 -0.128,450 0.856,451 -0.046,452 2.442,453 0.451,454 -0.461,455 -0.544,457 -0.844,458 -0.412,459 12.5,460 0.463,461 0.695,462 0.026,463 37.25,464 1.38,465 19,466 0.704,467 18.25,468 0.676,469 20.838,470 0.772,471 30.1,472 0.602,473 29.905,474 1.108,475 7.816,476 0.289,477 5.161,478 0.191,479 0.224,481 0.392,485 1.015,486 1.456,487 0.821,488 1.212,489 1.174,490 1.001,491 1.335,492 0.743,493 0.787,494 0.641,495 0.82,496 0.622,497 0.902,498 1.291,499 0.927,500 1.124,501 0.84,502 1.034,503 0.678,504 1.39,505 0.953,506 1.368,507 0.628,508 1.246,509 1.307,510 0.946,511 1.254,512 1.039,513 1.333,514 1.124,515 1.285,516 0.999,517 1.212,518 1.033,519 1.043,520 1.108,521 0.822,522 0.929,523 1.034,524 1.03,525 0.951,526 1.062,527 0.691,528 0.783,529 0.628,530 0.757,531 0.669,532 0.687,533 6,534 0.169,535 3.333,536 2.688,537 2.262,538 1.194,539 0.528,540 0.339,541 0.37,542 0.279,543 7829,544 22665,545 1.992,546 46,548 19,551 4,555 1.704,556 1.82,557 3.288,558 1.734,559 1,560 1,564 81.076,565 1.622,566 3.588,567 4.276,568 4.603,569 4.658,570 4.823,571 2.68,572 4.162,573 4.731,574 3.44,575 1207.46,576 8.226,577 15234.6,579 1,581 1,582 282.193,583 1.541,584 4.659,585 0.207,586 0.008,587 0.081,588 0.057,589 0.049,590 0.031,591 0.017,592 0.012,593 0.013,594 0.01,595 0.487,596 0.17,597 1,598 1.011,599 132.424,600 -0.105,601 -0.2,602 0.045,603 -0.109,604 -0.214,605 -0.01,606 -0.11,607 0.345,608 0.187,609 0.367,610 0.106,611 0.333,612 0.065,613 -0.09,614 -0.035,615 -0.047,616 -0.016,617 -0.05,618 0.176,619 -0.292,620 -0.047,621 -0.3,622 0.185,623 -0.237,624 -0.19,625 0.06,626 -0.267,627 -0.076,628 -0.276,629 -0.173,630 -0.235,631 -0.058,632 -0.224,633 -0.046,634 -0.184,635 -0.124,636 -0.057,637 0.005,638 -0.064,639 -0.047,640 -0.08,641 -0.052,642 0.087,643 0.035,644 0.39,645 0.2,646 0.174,647 0.338,648 1.505,649 2.095,650 0.593,651 21.155,652 1.009,653 1.137,654 1.966,655 3.866,656 0.645,657 3.401,658 3.738,659 4.043,660 4.331,661 4.533,662 4.585,663 4.585,664 4.635,665 4.718,666 4.762,667 6.029,668 0.62,669 369.47,670 3.401,671 4.949,672 5.814,673 6.711,674 7.592,675 8.492,676 9.378,677 10.278,678 11.165,679 12.065,680 10,684 2,686 1,690 2,694 2,695 5,696 2,700 7,702 17,711 2,714 1,716 3,718 50,719 17,720 2,721 29,723 52,724 19,725 14,726 7,727 5,729 3,730 4,741 14,742 5,753 1,754 1,757 23,758 8,759 4,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,802 2,806 4,810 27,811 2,816 1,818 3,821 1,829 6,834 3,836 14.833,837 10.183,838 6.167,839 2.501,840 3.385,841 1.464,842 0.965,843 5.771,844 10.686,845 3.651,846 4.304,847 4.949,848 5.57,849 6.119,850 6.393,851 6.656,852 6.972,853 7.345,854 7.494,855 0.857,856 47,857 9.879,859 4.031,860 7.759,861 18.617,863 14.483,865 2.259,866 61,869 1,870 223.651,871 121.149,872 102.49,874 33,877 121.149,878 256.651,879 102.49,880 41.046,881 2.106,882 113.176,883 33.571,884 62.514,885 4.227,886 223.651,888 223.651,889 223.639,890 33,893 223.651,894 33,897 6.149,898 183.919,899 33.571,901 223.651,902 135.489,903 121.149,906 223.651,907 32.722,908 91.551,910 132.365,911 223.651,912 135.489,913 121.149,915 0.577,916 0.363,917 0.21,918 0.112,919 19,920 10,921 0.115,922 6,923 1,924 1.125,925 3.667,926 232.712,927 0.125,928 16,929 120.382,933 19.324,934 8.064,935 3.817,936 1.516,937 135.489,938 9.57,939 8.356,943 4.147,945 65.794,946 480.29,947 37.5,956 50.443,957 56.857,958 0.287,959 0.636,960 0.758,961 0.816,962 0.825,963 0.855,964 4.892,965 1.363,966 5.82,967 5.139,968 4.419,969 4.99,970 1.938,971 6.676,972 4.299,973 6.126,974 1.189,975 7.412,976 3.557,977 4.111,978 4.956,979 0.325,980 7.673,981 3.948,982 7.459,983 1,984 9.101,985 2.731,986 6.057,987 7.29,988 1.656,989 10.784,990 5.848,991 8.83,992 0.396,993 10.847,994 2.092,995 6.538,996 8.053,997 0.393,998 12.581,999 6.285,1000 10.232,1001 0.311,1002 12.628,1003 0.603,1004 7.98,1005 9.897,1006 1.418,1007 15.222,1008 7.696,1009 11.656,1010 -0.037,1011 14.433,1012 0.398,1013 8.823,1014 11.042,1015 0.384,1016 17.358,1017 8.499,1018 13.097,1019 -0.135,1020 16.257,1021 -0.099,1022 10.073,1023 12.687,1024 1.207,1025 19.835,1026 9.722,1027 3.181,1028 -0.461,1029 18.095,1030 -0.34,1031 11.082,1032 14.02,1033 0.351,1034 22.114,1035 10.694,1036 3.084,1037 11.091,1038 19.943,1039 -0.844,1040 12.258,1041 15.581,1042 1.019,1043 24.531,1044 11.844,1045 2.621,1046 10.343,1047 21.801,1048 4.574,1049 13.341,1050 17.003,1051 0.312,1052 26.871,1053 12.893,1054 2.293,1055 8.376,1056 23.665,1057 4.118,1058 14.492,1059 18.53,1060 0.852,1061 29.267,1062 14.017,1063 2.061,1064 6.736,1065 25.536,1066 3.209,1067 15.607,1068 19.995,1069 0.273,1070 31.633,1071 15.1,1072 2.01,1073 6.118,1074 27.412,1075 3.025,1076 16.75,1077 21.508,1078 0.706,1079 34.023,1080 16.216,1081 1.79,1082 5.822,1083 29.291,1084 2.858,1085 17.88,1086 22.995,1087 0.236,1088 36.402,1089 17.315,1090 7800,1091 13382,1092 18.611,1093 32.245,1094 42.519,1095 43.848,1096 46.02,1097 42.444,1098 42.598,1099 55.777,1100 7.338,1101 126.007,1102 39.806,1103 5.456,1104 5.402,1105 6.315,1106 5.225,1107 5.181,1108 7.574,1109 1.776,1110 18.025,1111 5.1,1112 16.306,1113 1.466,1114 1.512,1115 1.587,1116 1.464,1117 1.469,1118 1.923,1119 0.253,1120 4.345,1121 1.373,1122 4.084,1123 4.118,1124 4.053,1125 3.995,1126 5.306,1127 4.004,1128 3.932,1129 3.947,1130 3.898,1131 3.825,1132 4.983,1133 3.839,1134 3.529,1135 3.598,1136 3.449,1137 3.308,1138 4.973,1139 3.336,1140 3.401,1141 3.471,1142 3.293,1143 3.196,1144 4.696,1145 3.209,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.221,1153 3.295,1154 3.042,1155 2.955,1156 4.468,1157 2.963,1158 3.152,1159 3.243,1160 2.983,1161 2.896,1162 4.318,1163 2.897,1164 3.097,1165 3.202,1166 2.874,1167 2.842,1168 4.157,1169 2.832,1170 0.159,1171 0.117,1172 0.234,1173 0.143,1174 0.11,1175 4.618,1176 0.158,1177 3.402,1178 0.032,1179 6.773,1180 0.382,1181 4.153,1182 0.107,1183 3.181,1184 4.574,1185 0.916,1186 11.091,1187 3.1,1188 2.027,1189 2.001,1190 2.095,1191 2.137,1192 1.265,1193 2.124,1194 1.871,1195 1.858,1196 1.948,1197 2.006,1198 1.081,1199 1.987,1200 1.448,1201 1.381,1202 1.677,1203 1.712,1204 0.779,1205 1.7,1206 1.346,1207 1.28,1208 1.59,1209 1.591,1210 0.584,1211 1.588,1212 1.227,1213 1.163,1214 1.57,1215 1.558,1216 0.572,1217 1.565,1218 1.175,1219 1.094,1220 1.534,1221 1.508,1222 0.552,1223 1.528,1224 1.129,1225 1.046,1226 1.505,1227 1.397,1228 0.505,1229 1.433,1230 1.06,1231 0.967,1232 1.368,1233 1.376,1234 0.425,1235 1.373,1236 4.078,1238 5.407,1240 6.95,1242 8.595,1244 10.294,1246 6.727,1250 11.801,1252 0.577,1254 16.256,1257 2.051,1262 30.993,1263 81.076,1264 179.406,1265 213.789,1266 230.154,1267 232.909,1268 241.173,1269 42.522,1270 7.3,1271 108.75,1272 108.75,1273 18,1274 12.59,1275 4.17,1276 3.248,1277 46.863,1278 99,1279 89,1280 0.237,1281 193.386,1282 327.73,1283 463.621,1284 13832,1286 19.552,1287 0.724,1288 0.586,1289 19.552,1290 15.815,1291 12.977,1292 0.447,1293 0.286,1294 8.091,1295 12.216,1296 7.758,1297 6.544,1298 12.977,1299 8.298,1300 11.436,1301 0.279,1302 0.147,1303 11.436,1304 6.018,1305 9.796,1306 0.175,1307 0.078,1308 9.796,1309 4.353,1310 8.645,1311 0.115,1312 0.041,1313 8.645,1314 3.069,1315 6.714,1316 0.073,1317 0.022,1318 6.714,1319 2.037,1320 0.366,1321 83.262,1322 0.232,1323 25.51,1324 0.666,1325 140,1326 446.766,1327 157.1,1328 423.237,1329 581.77,1330 398,1331 167,1332 430.425,1333 184.849,1334 440.688,1335 640.91,1336 407,1337 4.276}
{0 CHEMBL162312,1 1.595,2 9.458,3 3.031,4 9.188,5 95.087,6 8.009,7 0.654,8 3.805,9 3.918,10 3.425,11 3.335,12 5.061,13 3.345,14 4.248,15 4.4,16 3.75,17 3.668,18 5.472,19 3.666,20 4.357,21 4.502,22 3.833,23 3.796,24 5.568,25 3.787,26 4.407,27 4.562,28 3.77,29 3.792,30 5.681,31 3.75,32 4.459,33 4.679,34 3.552,35 3.726,36 5.601,37 3.633,38 4.329,39 4.563,40 3.446,41 3.581,42 5.343,43 3.494,44 4.2,45 4.356,46 3.517,47 3.514,48 5.342,49 3.491,50 4.269,51 4.441,52 3.54,53 3.534,54 5.441,55 3.488,56 0.069,57 0.589,58 7.154,59 3.198,60 12.239,61 3.781,62 0.285,63 0.868,64 13.363,65 5.445,66 27.676,67 6.45,68 0.192,69 0.993,70 13.926,71 5.643,72 21.95,73 6.807,74 0.179,75 1.038,76 14.669,77 6.415,78 30.293,79 8.02,80 0.307,81 1.048,82 17.816,83 6.62,84 42.162,85 9.041,86 0.157,87 0.864,88 16.561,89 6.553,90 28.608,91 8.997,92 0.222,93 0.765,94 13.106,95 5.161,96 24.075,97 6.034,98 0.278,99 0.841,100 13.794,101 5.384,102 25.465,103 6.856,104 21,105 36,106 0.279,107 0.632,108 0.726,109 0.828,110 0.846,111 0.872,112 3.229,113 0.828,114 -4.4,115 -4.33,116 -4.08,119 45,124 2,138 2,139 6,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 9,169 1,170 7,172 3,173 3,175 1,178 11,180 1,182 8,187 1,189 10,191 1,193 7,195 1,196 1,197 1,198 5,200 2,201 7,204 5,205 1,206 1,207 5,212 4,215 6,218 4,221 5,226 3,229 5,231 3,234 5,239 2,241 4,243 2,245 2,246 4,248 1,249 1,251 2,254 2,256 2,259 2,260 3,262 1,263 1,265 2,268 1,270 2,273 754,274 16.326,275 16.326,276 16.326,277 16.326,278 16.326,279 14.061,280 18.035,281 9.51,282 16.854,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.146,289 20.005,290 4.32,291 13.364,292 3.726,293 1.713,294 1.175,295 0.588,296 0.488,297 0.338,298 3.91,300 1,301 1,302 1,303 480,304 2.828,307 192.226,311 99.785,314 1.253,315 21.175,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 52,327 227,328 4.64,329 3.339,330 6.767,331 4.143,332 3.166,333 4.595,334 0.86,335 11.062,336 3.096,337 4.337,338 3.222,339 6.172,340 3.869,341 2.901,342 3.983,343 0.86,344 9.169,345 2.807,346 3.876,347 2.704,348 5.342,349 3.295,350 2.354,351 3.277,353 6.787,354 2.216,355 3.588,356 2.61,357 5.22,358 3.159,359 2.235,360 2.916,362 6.489,363 2.056,364 3.473,365 2.198,366 5.061,367 2.963,368 2.012,369 2.853,371 5.822,372 1.912,373 3.403,374 2.078,375 4.79,376 2.79,377 1.838,378 2.553,380 5.112,381 1.74,382 3.029,383 1.99,384 4.387,385 2.541,386 1.572,387 2.167,389 4.219,390 1.517,391 2.732,392 1.28,393 3.681,394 2.199,395 1.217,396 1.765,398 2.767,399 1.193,400 2.558,401 1.247,402 3.294,403 1.721,404 0.795,405 1.185,407 1.681,408 0.726,409 1.915,410 0.917,411 3.014,412 1.542,413 0.611,414 0.808,415 1.184,416 0.567,417 1.462,418 0.747,419 2.732,420 1.185,421 0.326,422 0.362,423 0.446,424 0.277,425 1.285,426 0.274,427 2.694,428 0.831,429 -0.106,430 -0.14,431 -0.274,432 -0.099,433 1.119,434 -0.029,435 2.513,436 0.715,437 -0.25,438 -0.314,439 -0.559,440 -0.239,441 0.872,442 -0.172,443 2.359,444 0.445,445 -0.478,446 -0.601,448 -1.083,449 -0.437,450 0.742,451 -0.312,452 2.215,453 0.309,454 -0.622,455 -0.774,457 -1.367,458 -0.574,459 11.267,460 0.469,461 0.554,462 0.023,463 35.5,464 1.479,465 20,466 0.833,467 15.5,468 0.646,469 15.168,470 0.632,471 24.733,472 0.618,473 26.148,474 1.089,475 7.351,476 0.306,477 4.266,478 0.178,479 0.16,481 0.355,485 1.027,486 1.108,487 0.766,488 0.942,489 1.226,490 0.817,491 1.187,492 0.691,493 0.74,494 0.691,495 0.743,496 0.666,497 1.18,498 1.056,499 0.91,500 0.915,501 1.002,502 0.866,503 0.878,504 1.279,505 1.019,506 1.257,507 0.752,508 1.191,509 0.678,510 1.032,511 1.1,512 1.09,513 1.141,514 1.139,515 0.632,516 0.954,517 0.786,518 1.022,519 0.742,520 0.949,521 1.584,522 1.089,523 1.067,524 1.041,525 1.113,526 0.998,527 0.97,528 1.243,529 1.078,530 1.279,531 0.869,532 1.223,533 5,534 0.103,535 2.667,536 2,537 1.511,538 0.708,539 0.429,540 0.309,541 0.288,542 0.195,543 5946,544 17676,545 2.04,546 40,548 12,551 4,555 1.671,556 1.895,557 3.201,558 1.777,559 1,560 1,562 1,564 63.818,565 1.595,566 3.609,567 4.146,568 4.734,569 4.834,570 4.984,571 2.584,572 3.772,573 4.561,574 3.338,575 921.239,576 7.88,577 10819.7,578 1,579 1,580 1,581 1,582 212.877,583 1.459,584 4.507,585 0.192,586 0.01,587 0.074,588 0.051,589 0.043,590 0.026,591 0.017,592 0.011,593 0.011,594 0.01,595 0.447,596 0.17,597 1,598 0.921,599 113.351,600 -0.134,601 0.012,602 0.017,603 0.023,604 -0.296,605 0.054,606 -0.011,607 0.335,608 0.163,609 0.293,610 0.138,611 0.25,612 -0.198,613 0.017,614 -0.059,615 0.049,616 -0.152,617 0.031,618 -0.028,619 -0.248,620 -0.163,621 -0.276,622 0.152,623 -0.26,624 0.042,625 -0.031,626 -0.159,627 -0.118,628 -0.146,629 -0.154,630 0.076,631 -0.054,632 0.201,633 0.011,634 0.071,635 0.111,636 -0.252,637 -0.135,638 -0.125,639 -0.047,640 -0.18,641 -0.067,642 0.142,643 -0.252,644 -0.146,645 -0.312,646 0.033,647 -0.293,648 1.528,649 1.985,650 0.667,651 17.132,652 1.009,653 1.123,654 3.166,655 10.022,656 0.688,657 3.296,658 3.611,659 3.892,660 4.159,661 4.357,662 4.394,663 4.394,664 4.454,665 4.564,666 4.554,667 5.676,668 0.667,669 320.38,670 3.296,671 4.828,672 5.68,673 6.561,674 7.428,675 8.315,676 9.186,677 10.074,678 10.948,679 11.837,680 10,684 2,690 2,694 2,695 6,696 2,700 6,702 17,711 2,716 2,718 40,719 18,720 2,721 26,723 42,724 18,725 14,726 6,727 6,729 3,730 4,740 2,741 14,742 2,753 1,754 1,757 16,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,781 3,785 1,788 2,802 2,806 2,810 24,811 2,818 2,823 1,827 2,829 5,834 2,836 12.667,837 7.9,838 5.444,839 2.054,840 4.498,841 1.634,842 0.996,843 4.52,844 11.593,845 3.624,846 4.277,847 4.956,848 5.612,849 6.228,850 6.577,851 7.022,852 7.463,853 7.963,854 8.273,855 1,856 39,857 8.746,859 3.6,860 7.806,861 16.342,863 12.714,865 2.306,866 55.333,869 1,870 141.253,871 138.487,872 99.365,874 22,877 138.487,878 163.253,879 99.365,880 21.766,882 122.652,883 33.571,884 43.575,885 38.288,886 141.253,888 141.253,889 237.852,890 22,893 141.253,894 22,897 4.043,898 166.177,899 67.632,901 141.253,902 121.365,903 138.487,906 141.253,907 25.802,908 78.624,909 34.061,910 121.365,911 141.253,912 121.365,913 138.487,915 0.574,916 0.35,917 0.196,918 0.104,919 17,920 8,921 0.048,922 2,923 1,924 1.125,925 3.535,926 193.949,927 0.125,928 16,929 110.039,933 16.067,934 6.753,935 3.282,936 1.338,937 121.365,938 10.968,939 8.198,943 3.24,945 65.794,946 401.105,947 36.5,956 40.363,957 44.903,958 0.3,959 0.678,960 0.779,961 0.89,962 0.908,963 0.937,964 4.854,965 1.217,966 5.666,967 4.219,968 4.29,969 4.963,970 1.376,971 6.485,972 4.203,973 6.103,974 0.795,975 7.231,976 2.767,977 3.892,978 4.808,980 7.416,981 3.767,982 7.436,983 0.611,984 8.894,985 1.681,986 5.889,987 7.28,988 1.159,989 10.513,990 5.739,991 8.806,992 0.326,993 10.615,994 1.184,995 6.293,996 7.948,998 12.282,999 6.111,1000 10.204,1001 -0.106,1002 12.375,1003 0.446,1004 7.766,1005 9.881,1006 0.963,1007 14.91,1008 7.57,1009 11.623,1010 -0.25,1011 14.162,1012 -0.274,1013 8.555,1014 10.967,1016 17.04,1017 8.333,1018 13.061,1019 -0.478,1020 15.97,1021 -0.559,1022 9.818,1023 12.661,1024 0.787,1025 19.509,1026 9.582,1027 3.166,1028 -0.622,1029 17.795,1030 -1.083,1031 10.792,1032 13.964,1034 21.792,1035 10.534,1036 2.901,1037 11.062,1038 19.634,1039 -1.367,1040 11.971,1041 15.552,1042 0.634,1043 24.208,1044 11.697,1045 2.354,1046 9.169,1047 21.483,1048 4.595,1049 13.032,1050 16.964,1052 26.554,1053 12.736,1054 2.235,1055 6.787,1056 23.342,1057 3.983,1058 14.18,1059 18.506,1060 0.504,1061 28.953,1062 13.867,1063 2.012,1064 6.489,1065 25.208,1066 3.277,1067 15.281,1068 19.971,1070 31.328,1071 14.946,1072 1.838,1073 5.822,1074 27.081,1075 2.916,1076 16.419,1077 21.495,1078 0.395,1079 33.723,1080 16.066,1081 1.572,1082 5.112,1083 28.959,1084 2.853,1085 17.539,1086 22.986,1088 36.11,1089 17.164,1090 5872,1091 10241,1092 17.107,1093 27.5,1094 39.142,1095 39.172,1096 40.073,1097 37.998,1098 38.055,1099 52.926,1100 3.44,1101 109.476,1102 36.216,1103 5.22,1104 5.339,1105 6.336,1106 5.215,1107 5.166,1108 7.595,1109 1.72,1110 17.97,1111 5.096,1112 12.483,1113 1.505,1114 1.507,1115 1.541,1116 1.461,1117 1.464,1118 2.036,1119 0.132,1120 4.211,1121 1.393,1122 4.079,1123 4.108,1124 4.055,1125 4.005,1126 5.311,1127 4.013,1128 3.91,1129 3.924,1130 3.87,1131 3.83,1132 4.996,1133 3.837,1134 3.482,1135 3.546,1136 3.427,1137 3.304,1138 4.965,1139 3.329,1140 3.331,1141 3.374,1142 3.22,1143 3.171,1144 4.754,1145 3.175,1146 3.24,1147 3.292,1148 3.134,1149 3.012,1150 4.606,1151 3.033,1152 3.138,1153 3.232,1154 2.958,1155 2.867,1156 4.486,1157 2.86,1158 3.059,1159 3.152,1160 2.878,1161 2.816,1162 4.147,1163 2.831,1164 2.799,1165 2.881,1166 2.664,1167 2.626,1168 4.081,1169 2.626,1170 0.178,1171 0.128,1172 0.26,1173 0.159,1174 0.122,1175 4.64,1176 0.177,1177 3.339,1178 0.033,1179 6.767,1180 0.425,1181 4.143,1182 0.119,1183 3.166,1184 4.595,1185 0.86,1186 11.062,1187 3.096,1188 2.027,1189 2.006,1190 2.079,1191 2.123,1192 1.182,1193 2.109,1194 1.876,1195 1.862,1196 1.96,1197 1.979,1198 1.055,1199 1.972,1200 1.405,1201 1.35,1202 1.593,1203 1.632,1204 0.586,1205 1.616,1206 1.263,1207 1.226,1208 1.546,1209 1.568,1210 0.558,1211 1.572,1212 1.21,1213 1.155,1214 1.532,1215 1.449,1216 0.426,1217 1.481,1218 1.123,1219 1.032,1220 1.343,1221 1.39,1222 0.281,1223 1.379,1224 0.979,1225 0.893,1226 1.246,1227 1.255,1228 0.16,1229 1.267,1230 0.793,1231 0.717,1232 1.07,1233 1.019,1234 0.005,1235 1.035,1236 3.97,1238 5.283,1240 6.808,1242 8.435,1244 10.115,1246 3.2,1250 11.626,1254 10.568,1261 6.196,1262 26.676,1263 63.818,1264 144.348,1265 165.858,1266 189.367,1267 193.367,1268 199.367,1269 32.7,1270 7.095,1271 96.28,1272 96.28,1273 18,1274 12.37,1275 4.248,1276 3.524,1277 39.183,1278 83,1279 76,1280 0.236,1281 167.148,1282 285.36,1283 399.601,1284 11096,1286 17.104,1287 0.713,1288 0.555,1289 17.104,1290 13.33,1291 11.618,1292 0.447,1293 0.276,1294 7.046,1295 11.106,1296 6.819,1297 5.727,1298 11.618,1299 7.179,1300 10.175,1301 0.283,1302 0.138,1303 10.175,1304 4.983,1305 8.633,1306 0.18,1307 0.073,1308 8.633,1309 3.507,1310 7.472,1311 0.119,1312 0.038,1313 7.472,1314 2.381,1315 5.728,1316 0.074,1317 0.019,1318 5.728,1319 1.494,1320 0.365,1321 73.331,1322 0.242,1323 23.176,1324 0.662,1325 124,1326 389.386,1327 136.14,1328 379.415,1329 524.62,1330 356,1331 146,1332 391.415,1333 157.31,1334 402.209,1335 582.61,1336 375,1337 4.745}
{0 CHEMBL164845,1 1.402,2 8.55,3 2.941,4 8.651,5 83.916,6 7.716,7 0.773,8 3.631,9 3.762,10 3.228,11 3.239,12 4.842,13 3.218,14 4.05,15 4.201,16 3.559,17 3.597,18 5.253,19 3.549,20 4.275,21 4.473,22 3.574,23 3.694,24 5.345,25 3.626,26 4.268,27 4.477,28 3.483,29 3.615,30 5.407,31 3.525,32 4.263,33 4.507,34 3.257,35 3.508,36 5.331,37 3.4,38 4.145,39 4.411,40 3.112,41 3.394,42 5.079,43 3.267,44 3.967,45 4.197,46 3.108,47 3.298,48 5.002,49 3.197,50 3.925,51 4.174,52 2.927,53 3.144,54 4.979,55 3.034,56 0.043,57 0.517,58 6.336,59 2.623,60 9.616,61 3.428,62 0.125,63 0.782,64 10.075,65 4.586,66 16.136,67 6.124,68 0.097,69 0.935,70 14.051,71 5.49,72 15.352,73 7.527,74 0.105,75 0.919,76 14.186,77 5.783,78 22.215,79 8.038,80 0.168,81 0.901,82 15.247,83 5.092,84 31.007,85 7.122,86 0.111,87 0.752,88 14.246,89 5.368,90 21.215,91 7.673,92 0.058,93 0.65,94 11.012,95 4.42,96 15.055,97 6.22,98 0.096,99 0.632,100 10.941,101 3.787,102 19.226,103 5.365,104 5,105 30,106 0.255,107 0.533,108 0.663,109 0.802,110 0.86,111 0.86,112 3.058,113 0.857,114 -4.94,115 -4.84,116 -4.54,119 47.1,134 2,139 8,140 3,143 1,144 1,147 1,157 2,158 2,159 2,166 13,169 1,170 3,172 3,173 3,175 1,178 16,180 1,182 3,187 1,189 13,191 1,193 5,195 1,196 1,197 1,198 5,200 2,201 9,204 5,205 1,207 3,212 4,215 9,218 4,221 2,226 3,229 8,231 3,234 4,239 3,241 6,243 3,246 4,251 3,254 3,256 3,260 2,265 3,268 1,270 3,273 490,274 13.637,275 13.637,276 13.637,277 13.637,278 13.637,279 11.424,280 6.325,281 8.213,282 13.816,283 10.888,284 10.888,285 10.888,286 10.888,287 10.888,288 7.627,289 7.5,290 3.922,291 11.187,292 3.685,293 2.154,294 1.434,295 0.669,296 0.353,297 0.353,298 3.741,300 1,301 1,302 1,303 369,304 2.236,307 151.838,311 79.208,314 1.195,315 11.877,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 42,327 171,328 4.62,329 3.191,330 6.767,331 4.142,332 3.165,333 4.582,335 11.061,336 3.095,337 3.956,338 2.542,339 5.399,340 3.529,341 2.534,342 3.522,344 7.065,345 2.524,346 3.721,347 2.386,348 5.28,349 3.267,350 2.323,351 3.194,353 6.678,354 2.191,355 3.454,356 2.078,357 5.06,358 2.963,359 2.011,360 2.868,362 5.821,363 1.912,364 3.215,365 1.877,366 4.776,367 2.768,368 1.81,369 2.459,371 5.056,372 1.726,373 2.955,374 1.488,375 3.681,376 2.483,377 1.485,378 2.14,380 3.147,381 1.482,382 2.686,383 1.237,384 3.642,385 2.2,386 1.217,387 1.756,389 2.76,390 1.194,391 2.5,392 1,393 3.247,394 2,395 1,396 1.5,398 2.136,399 1,400 2.299,401 0.644,402 3.176,403 1.621,404 0.628,405 0.997,407 1.498,408 0.623,409 1.285,410 -0.007,411 2.725,412 0.831,413 -0.106,414 -0.141,415 -0.277,416 -0.099,417 1.109,418 -0.252,419 2.565,420 0.705,421 -0.278,422 -0.364,423 -0.724,424 -0.271,425 0.835,426 -0.362,427 2.356,428 0.421,429 -0.513,430 -0.629,431 -1.233,432 -0.478,433 0.675,434 -0.74,435 2.063,436 0.199,437 -0.785,438 -1.112,439 -1.762,440 -0.771,441 0.5,442 -0.877,443 1.648,444 0.015,445 -0.94,446 -1.319,448 -2.347,449 -0.901,450 0.371,451 -1,452 1.555,454 -1,455 -1.5,457 -2.363,458 -1,459 9.6,460 0.48,461 0.435,462 0.022,463 31,464 1.55,465 18.5,466 0.925,467 12.5,468 0.625,469 10.727,470 0.536,471 19.8,472 0.582,473 20.211,474 1.011,475 6.304,476 0.315,477 3.433,478 0.172,479 0.083,481 0.313,485 1.163,486 0.974,487 0.808,488 0.78,489 1.364,490 0.757,491 0.363,492 0.89,493 0.794,494 0.996,495 0.44,496 0.955,497 1.062,498 1.052,499 0.963,500 0.979,501 0.913,502 0.963,503 0.664,504 1.229,505 0.98,506 1.228,507 0.611,508 1.158,509 1.559,510 0.964,511 1.269,512 0.998,513 1.554,514 1.08,515 0.851,516 0.826,517 0.909,518 0.882,519 0.89,520 0.898,521 0.737,522 1.094,523 0.905,524 1.069,525 0.737,526 1.019,527 1.293,528 1.122,529 1.143,530 1.08,531 1.202,532 1.091,533 3.5,534 0.025,535 1.778,536 1.5,537 1.049,538 0.472,539 0.306,540 0.161,541 0.123,542 0.078,543 3806,544 9899,545 2.107,546 41.2,548 10,551 4,555 1.618,556 2,557 3.058,558 1.879,560 1,562 1,564 47.671,565 1.402,566 2.934,567 3.653,568 4.418,569 4.735,570 4.735,571 2.471,572 3.684,573 4.295,574 3.184,575 604.926,576 7.337,577 6126.52,578 1,579 1,580 1,581 1,582 172.974,583 1.295,584 4.266,585 0.159,586 0.008,587 0.059,588 0.05,589 0.04,590 0.024,591 0.017,592 0.009,593 0.009,594 0.01,595 0.385,596 0.33,597 1,598 0.548,599 88.123,600 -0.205,601 0.127,603 0.142,604 -0.365,605 0.104,606 0.457,607 0.151,608 0.04,609 -0.041,610 0.272,611 -0.048,612 -0.129,613 -0.045,614 -0.053,615 -0.022,616 -0.124,617 -0.027,618 0.217,619 -0.261,620 -0.049,621 -0.26,622 0.295,623 -0.2,624 -0.359,625 0.049,626 -0.279,627 -0.067,628 -0.347,629 -0.145,630 -0.023,631 0.074,632 0.11,633 0.135,634 -0.009,635 0.138,636 0.046,637 -0.17,638 0.056,639 -0.067,640 0.103,641 -0.016,642 -0.175,643 -0.145,644 -0.139,645 -0.13,646 -0.148,647 -0.131,648 1.473,649 1.962,650 0.8,651 13.2,652 0.995,653 1.12,654 3.709,655 13.753,656 0.701,657 3.135,658 3.434,659 3.689,660 3.97,661 4.159,662 4.143,663 4.159,664 4.234,665 4.304,666 4.205,667 5.038,668 0.668,669 262.34,670 3.135,671 4.654,672 5.493,673 6.365,674 7.22,675 8.1,676 8.963,677 9.847,678 10.714,679 11.601,680 11.8,684 2,690 2,694 2,695 8,696 2,700 4,702 17,711 2,718 34,719 18,720 2,721 22,723 36,724 16,725 14,726 4,727 8,728 2,729 3,730 4,741 16,744 1,749 2,753 1,754 1,757 14,758 4,759 4,760 4,764 4,769 0.667,776 1,781 3,785 1,795 2,802 2,810 20,811 2,836 10,837 5.9,838 4.417,839 1.832,840 3.951,841 1.59,842 1.041,843 3.255,844 10.651,845 3.481,846 4.127,847 4.775,848 5.419,849 6.005,850 6.275,851 6.677,852 7.088,853 7.532,854 7.702,855 0.833,856 30,857 7.304,859 3.052,860 7.7,861 13.873,863 11.15,865 2.2,866 44,867 0.001,870 117.711,871 110.078,872 99.365,877 110.078,878 117.711,879 99.365,882 160.557,883 33.571,884 11.088,885 4.227,886 117.711,888 117.711,889 209.443,893 117.711,897 4.043,898 152.876,899 52.524,901 117.711,902 99.365,903 110.078,906 117.711,907 15.315,908 94.762,910 99.365,911 117.711,912 99.365,913 110.078,915 0.574,916 0.332,917 0.19,918 0.101,919 15,920 6,921 0.056,922 2,923 1,924 1.125,925 3.281,926 149.648,927 0.125,928 16,929 82.439,933 12.486,934 5.214,935 2.598,936 1.582,937 99.365,938 15.866,939 8.233,943 2.697,945 65.794,946 327.154,947 31.5,952 4.04,956 33.825,957 38.069,958 0.276,959 0.577,960 0.718,961 0.868,962 0.931,963 0.931,964 4.675,965 1,966 5.46,967 2.76,968 4.111,969 4.812,971 6.248,972 4.059,973 5.898,974 0.628,975 6.997,976 2.136,977 3.611,978 4.559,980 7.116,981 3.516,982 7.203,983 -0.106,984 8.638,985 1.498,986 5.666,987 7.095,989 10.247,990 5.568,991 8.548,992 -0.278,993 10.345,994 -0.277,995 5.994,996 7.712,998 12.02,999 5.861,1000 9.926,1001 -0.513,1002 12.096,1003 -0.724,1004 7.516,1005 9.681,1007 14.673,1008 7.377,1009 11.331,1010 -0.785,1011 13.88,1012 -1.233,1013 8.263,1014 10.751,1016 16.831,1017 8.096,1018 12.757,1019 -0.94,1020 15.69,1021 -1.762,1022 9.556,1023 12.465,1025 19.324,1026 9.378,1027 3.165,1028 -1,1029 17.52,1030 -2.347,1031 10.515,1032 13.771,1034 21.635,1035 10.312,1036 2.534,1037 11.061,1038 19.367,1039 -2.363,1040 11.713,1041 15.37,1043 24.071,1044 11.495,1045 2.323,1046 7.065,1047 21.227,1048 4.582,1049 12.774,1050 16.791,1052 26.44,1053 12.53,1054 2.011,1055 6.678,1056 23.097,1057 3.522,1058 13.937,1059 18.343,1061 28.855,1062 13.674,1063 1.81,1064 5.821,1065 24.976,1066 3.194,1067 15.045,1068 19.818,1070 31.246,1071 14.758,1072 1.485,1073 5.056,1074 26.863,1075 2.868,1076 16.196,1077 21.35,1079 33.654,1080 15.889,1081 1.217,1082 3.147,1083 28.754,1084 2.459,1085 17.326,1086 22.851,1088 36.052,1089 16.995,1090 3691,1091 6053,1092 14.909,1093 23.83,1094 33.039,1095 32.232,1096 32.966,1097 32.437,1098 32.349,1099 46.035,1101 90.443,1102 31.493,1103 5.216,1104 5.191,1105 6.569,1106 5.214,1107 5.165,1108 7.582,1110 17.969,1111 5.095,1112 7.539,1113 1.502,1114 1.465,1115 1.498,1116 1.474,1117 1.47,1118 2.093,1120 4.111,1121 1.432,1122 4.082,1123 4.114,1124 4.053,1125 4.008,1126 5.307,1127 4.013,1128 3.892,1129 3.923,1130 3.825,1131 3.834,1132 4.982,1133 3.828,1134 3.494,1135 3.559,1136 3.426,1137 3.321,1138 4.8,1139 3.339,1140 3.3,1141 3.353,1142 3.195,1143 3.192,1144 4.686,1145 3.189,1146 3.089,1147 3.203,1148 2.965,1149 2.838,1150 4.251,1151 2.857,1152 2.854,1153 2.925,1154 2.687,1155 2.735,1156 4.086,1157 2.715,1158 2.804,1159 2.887,1160 2.671,1161 2.622,1162 3.732,1163 2.627,1164 2.696,1165 2.788,1166 2.54,1167 2.489,1168 3.674,1169 2.493,1170 0.21,1171 0.145,1172 0.308,1173 0.188,1174 0.144,1175 4.62,1176 0.208,1177 3.191,1179 6.767,1180 0.503,1181 4.142,1182 0.141,1183 3.165,1184 4.582,1186 11.061,1187 3.095,1188 2.035,1189 2.012,1190 2.103,1191 2.131,1192 1.221,1193 2.121,1194 1.895,1195 1.867,1196 2.008,1197 1.976,1198 1.077,1199 1.99,1200 1.429,1201 1.374,1202 1.571,1203 1.647,1204 0.582,1205 1.633,1206 1.303,1207 1.252,1208 1.497,1209 1.449,1210 0.425,1211 1.471,1212 0.998,1213 0.912,1214 1.27,1215 1.361,1216 0.218,1217 1.35,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.171,1223 1.107,1224 0.789,1225 0.711,1226 1.058,1227 1.024,1229 1.036,1230 0.671,1231 0.583,1232 0.99,1233 0.929,1235 0.961,1236 3.807,1238 5.106,1240 6.616,1242 8.229,1244 9.897,1250 11.581,1262 22.72,1263 47.671,1264 99.754,1265 124.219,1266 150.219,1267 160.974,1268 160.974,1269 22.209,1270 6.7,1271 77.82,1272 77.82,1273 18,1274 12.137,1275 4.248,1276 3.392,1277 29.952,1278 59,1279 60,1280 0.249,1281 142.898,1282 235.82,1283 340.432,1284 6692,1286 13.949,1287 0.697,1288 0.541,1289 13.949,1290 10.823,1291 9.737,1292 0.443,1293 0.286,1294 6.238,1295 9.536,1296 6.097,1297 5.098,1298 9.737,1299 6.287,1300 8.664,1301 0.289,1302 0.148,1303 8.664,1304 4.452,1305 7.045,1306 0.181,1307 0.078,1308 7.045,1309 3.056,1310 6.283,1311 0.121,1312 0.041,1313 6.283,1314 2.147,1315 4.826,1316 0.077,1317 0.022,1318 4.826,1319 1.387,1320 0.382,1321 59.817,1322 0.259,1323 19.831,1324 0.703,1325 104,1326 263.915,1327 110.383,1328 271.565,1329 382.6,1330 254,1331 121,1332 294.324,1333 126.662,1334 303.953,1335 441.1,1336 287,1337 5.824}
{0 CHEMBL165955,1 1.647,2 10.269,3 2.298,4 5.281,5 102.657,6 7.563,7 0.607,8 3.966,9 4.089,10 3.531,11 3.401,12 5.163,13 3.42,14 4.448,15 4.62,16 3.859,17 3.745,18 5.591,19 3.751,20 4.562,21 4.714,22 4,23 3.907,24 5.708,25 3.903,26 4.717,27 4.888,28 4.014,29 3.973,30 5.869,31 3.933,32 4.887,33 5.112,34 3.801,35 3.958,36 5.93,37 3.876,38 4.788,39 5.042,40 3.548,41 3.856,42 5.691,43 3.731,44 4.669,45 4.955,46 3.528,47 3.742,48 5.541,49 3.616,50 4.534,51 4.803,52 3.556,53 3.598,54 5.476,55 3.533,56 0.104,57 0.7,58 9.768,59 3.742,60 12.955,61 4.945,62 0.42,63 1.016,64 18.366,65 6.223,66 33.391,67 8.079,68 0.432,69 1.205,70 19.204,71 6.684,72 24.383,73 9.184,74 0.43,75 1.333,76 22.873,77 8.342,78 34.086,79 11.617,80 0.796,81 1.385,82 30.866,83 8.652,84 65.345,85 12.276,86 0.574,87 1.218,88 28.574,89 8.574,90 47.808,91 12.601,92 0.381,93 1.07,94 25.906,95 8.356,96 40.13,97 12.674,98 0.357,99 0.932,100 22.491,101 6.614,102 34.066,103 9.98,104 35,105 39,106 0.282,107 0.618,108 0.719,109 0.778,110 0.788,111 0.818,112 3.304,113 0.848,114 -2.96,115 -2.97,116 -2.86,119 38.3,124 3,125 1,139 5,140 2,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 5,172 3,173 3,175 4,178 5,180 1,181 2,182 5,187 3,189 2,191 1,192 1,193 5,195 1,196 3,197 1,198 5,200 2,201 2,204 4,205 1,207 1,210 3,211 1,212 4,214 1,215 4,218 3,221 2,226 1,229 2,231 1,234 9,238 1,239 2,240 1,241 2,243 2,246 4,259 4,260 3,262 2,263 2,265 2,270 2,273 908,274 17.696,275 17.696,276 17.696,277 17.696,278 17.696,279 15.615,280 26.188,281 10.237,282 18.442,283 13.619,284 13.619,285 13.619,286 13.619,287 13.619,288 10.268,289 40.004,290 4.548,291 14.539,292 3.908,293 1.939,294 1.354,295 1.006,296 0.947,297 0.772,298 3.985,300 1,301 1,302 1,303 561,304 3.082,307 218.622,311 115.329,314 1.346,315 24.854,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 57.5,327 267,328 4.615,329 3.374,330 6.767,331 4.142,332 3.166,333 4.573,334 0.86,335 11.061,336 3.092,337 4.419,338 3.245,339 6.523,340 4.003,341 3.059,342 4.104,343 0.86,344 10.257,345 2.88,346 3.736,347 2.626,348 5.38,349 3.331,350 2.392,351 3.183,352 0.86,353 6.939,354 2.244,355 3.554,356 2.555,357 5.254,358 3.165,359 2.223,360 2.886,361 0.657,362 6.593,363 2.088,364 3.448,365 2.401,366 5.19,367 2.972,368 2.061,369 2.848,371 6.118,372 1.91,373 3.355,374 2.078,375 5.06,376 2.961,377 2.01,378 2.604,380 5.821,381 1.867,382 3.139,383 2.013,384 4.776,385 2.74,386 1.784,387 2.367,389 5.05,390 1.697,391 2.671,392 1.915,393 3.811,394 2.21,395 1.237,396 1.741,398 2.788,399 1.202,400 2.23,401 1.276,402 3.681,403 1.993,404 1.156,405 1.215,407 2.496,408 0.961,409 1.832,410 1.064,411 3.239,412 1.587,413 0.663,414 0.752,415 1.494,416 0.609,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.401,426 0.834,427 2.727,428 1.151,429 0.307,430 0.329,431 0.396,432 0.257,433 1.285,434 0.179,435 2.635,436 0.83,437 -0.106,438 -0.14,439 -0.274,440 -0.099,441 1.083,442 -0.006,443 2.486,444 0.703,445 -0.246,446 -0.307,448 -0.545,449 -0.231,450 0.85,451 -0.184,452 2.381,453 0.449,454 -0.467,455 -0.579,457 -1.075,458 -0.424,459 12,460 0.462,461 0.606,462 0.023,463 36.5,464 1.404,465 19,466 0.731,467 17.5,468 0.673,469 18.655,470 0.718,471 28.8,472 0.613,473 28.232,474 1.086,475 7.651,476 0.294,477 4.915,478 0.189,479 0.192,481 0.375,485 1.041,486 1.355,487 0.813,488 1.141,489 1.194,490 0.946,491 1.296,492 0.82,493 0.798,494 0.736,495 0.847,496 0.693,497 0.911,498 1.261,499 0.894,500 1.076,501 0.873,502 0.983,503 0.729,504 1.45,505 0.975,506 1.416,507 0.642,508 1.282,509 1.447,510 0.914,511 1.355,512 1,513 1.448,514 1.138,515 1.137,516 0.921,517 1.208,518 0.999,519 1.085,520 1.101,521 0.576,522 0.841,523 0.736,524 0.893,525 0.598,526 0.854,527 0.893,528 0.847,529 0.713,530 0.803,531 0.867,532 0.724,533 5.5,534 0.169,535 2.889,536 2.563,537 1.982,538 0.771,539 0.427,540 0.28,541 0.37,542 0.279,543 7376,544 21870,545 2.014,546 44.7,548 16,551 5,555 1.692,556 1.857,557 3.297,558 2.596,559 1,560 1,564 77.404,565 1.647,566 3.615,567 4.2,568 4.549,569 4.607,570 4.783,571 2.652,572 3.902,573 4.677,574 3.452,575 1121.74,576 8.106,577 14007.6,579 1,581 1,582 261.066,583 1.502,584 4.615,585 0.196,586 0.008,587 0.074,588 0.058,589 0.047,590 0.024,591 0.017,592 0.011,593 0.014,594 0.01,595 0.46,596 0.17,597 1,598 0.998,599 126.715,600 -0.137,601 -0.109,602 0.031,603 -0.055,604 -0.241,605 0.023,606 -0.103,607 0.259,608 0.153,609 0.29,610 0.084,611 0.265,612 0.064,613 -0.093,614 -0.006,615 -0.028,616 -0.032,617 -0.02,618 0.17,619 -0.35,620 -0.078,621 -0.366,622 0.209,623 -0.295,624 -0.262,625 0.079,626 -0.356,627 -0.065,628 -0.329,629 -0.21,630 -0.21,631 0.009,632 -0.22,633 -0.024,634 -0.24,635 -0.108,636 0.092,637 0.031,638 0.251,639 0.111,640 0.174,641 0.2,642 -0.003,643 0.047,644 0.298,645 0.168,646 0.049,647 0.287,648 1.51,649 2.041,650 0.615,651 20.154,652 1.012,653 1.137,654 1.734,655 3.006,656 0.649,657 3.367,658 3.689,659 3.989,660 4.277,661 4.454,662 4.466,663 4.477,664 4.543,665 4.682,666 4.71,667 6.101,668 0.627,669 355.44,670 3.367,671 4.905,672 5.765,673 6.655,674 7.53,675 8.424,676 9.301,677 10.195,678 11.075,679 11.969,680 10.6,684 2,685 1,690 2,694 2,695 5,696 2,700 7,702 17,711 2,712 1,716 3,718 47,719 17,720 2,721 28,723 49,724 18,725 14,726 7,727 5,729 3,730 4,741 14,742 4,753 1,754 1,757 21,758 8,759 5,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 1,817 1,818 3,829 6.4,834 3,836 14,837 9.233,838 5.972,839 2.339,840 3.418,841 1.471,842 0.975,843 5.537,844 10.673,845 3.624,846 4.277,847 4.92,848 5.541,849 6.079,850 6.329,851 6.586,852 6.916,853 7.315,854 7.445,855 0.857,856 44,857 9.505,859 3.892,860 7.788,861 17.835,863 13.865,865 2.288,866 59.5,870 188.338,871 112.753,872 117.376,874 33,877 112.753,878 221.337,879 117.376,880 32.649,881 2.106,882 113.176,883 51.582,884 59.389,885 4.227,886 188.338,888 188.338,889 230.129,890 33,893 188.338,894 33,897 6.149,898 172.398,899 51.582,901 188.338,902 150.376,903 112.753,906 188.338,907 32.722,908 80.03,909 18.011,910 132.365,911 188.338,912 150.376,913 112.753,915 0.572,916 0.359,917 0.211,918 0.109,919 18,920 9,921 0.122,922 6,923 1,924 1.125,925 3.658,926 217.266,927 0.125,928 16,929 114.211,933 18.353,934 7.845,935 3.738,936 1.487,937 150.376,938 9.394,939 8.287,943 3.962,945 83.805,946 451.466,947 36.5,956 47.56,957 53.441,958 0.296,959 0.651,960 0.756,961 0.819,962 0.829,963 0.861,964 4.854,965 1.237,966 5.759,967 5.05,968 4.369,969 4.963,970 1.841,971 6.6,972 4.254,973 6.083,974 1.156,975 7.338,976 2.788,977 4.007,978 4.913,980 7.576,981 3.859,982 7.413,983 0.663,984 9.015,985 2.496,986 5.989,987 7.268,988 1.538,989 10.685,990 5.791,991 8.783,992 0.396,993 10.751,994 1.494,995 6.431,996 8.023,998 12.483,999 6.198,1000 10.183,1001 0.307,1002 12.525,1003 0.603,1004 7.892,1005 9.877,1006 1.278,1007 15.122,1008 7.626,1009 11.606,1010 -0.106,1011 14.326,1012 0.396,1013 8.715,1014 11.019,1016 17.268,1017 8.413,1018 13.046,1019 -0.246,1020 16.146,1021 -0.274,1022 9.973,1023 12.669,1024 1.053,1025 19.745,1026 9.645,1027 3.166,1028 -0.467,1029 17.982,1030 -0.545,1031 10.973,1032 14.002,1034 22.033,1035 10.61,1036 3.059,1037 11.061,1038 19.831,1039 -1.075,1040 12.154,1041 15.565,1042 0.858,1043 24.451,1044 11.765,1045 2.392,1046 10.257,1047 21.69,1048 4.573,1049 13.232,1050 16.988,1052 26.796,1053 12.811,1054 2.223,1055 6.939,1056 23.557,1057 4.104,1058 14.385,1059 18.516,1060 0.691,1061 29.193,1062 13.936,1063 2.061,1064 6.593,1065 25.43,1066 3.183,1067 15.498,1068 19.982,1070 31.562,1071 15.018,1072 2.01,1073 6.118,1074 27.309,1075 2.886,1076 16.641,1077 21.495,1078 0.549,1079 33.951,1080 16.134,1081 1.784,1082 5.821,1083 29.192,1084 2.848,1085 17.769,1086 22.983,1088 36.33,1089 17.233,1090 7315,1091 12704,1092 18.205,1093 30.483,1094 40.664,1095 42.22,1096 43.791,1097 40.76,1098 40.909,1099 54.106,1100 6.475,1101 119.233,1102 38.299,1103 5.45,1104 5.374,1105 6.311,1106 5.213,1107 5.166,1108 7.573,1109 1.72,1110 17.982,1111 5.092,1112 14.768,1113 1.452,1114 1.508,1115 1.564,1116 1.456,1117 1.461,1118 1.932,1119 0.231,1120 4.258,1121 1.368,1122 4.081,1123 4.115,1124 4.05,1125 3.992,1126 5.306,1127 4.001,1128 3.925,1129 3.938,1130 3.891,1131 3.819,1132 4.985,1133 3.834,1134 3.502,1135 3.573,1136 3.429,1137 3.289,1138 4.976,1139 3.318,1140 3.341,1141 3.407,1142 3.226,1143 3.132,1144 4.697,1145 3.144,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.217,1153 3.292,1154 3.041,1155 2.952,1156 4.47,1157 2.961,1158 3.152,1159 3.242,1160 2.969,1161 2.89,1162 4.327,1163 2.888,1164 3.039,1165 3.157,1166 2.839,1167 2.732,1168 4.157,1169 2.75,1170 0.165,1171 0.121,1172 0.242,1173 0.148,1174 0.113,1175 4.615,1176 0.163,1177 3.374,1178 0.031,1179 6.767,1180 0.395,1181 4.142,1182 0.11,1183 3.166,1184 4.573,1185 0.86,1186 11.061,1187 3.092,1188 2.025,1189 1.999,1190 2.092,1191 2.135,1192 1.251,1193 2.122,1194 1.864,1195 1.853,1196 1.94,1197 1.999,1198 1.063,1199 1.979,1200 1.417,1201 1.352,1202 1.598,1203 1.674,1204 0.69,1205 1.655,1206 1.284,1207 1.221,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.568,1215 1.548,1216 0.571,1217 1.552,1218 1.173,1219 1.092,1220 1.532,1221 1.501,1222 0.552,1223 1.521,1224 1.128,1225 1.046,1226 1.45,1227 1.395,1228 0.425,1229 1.408,1230 0.956,1231 0.843,1232 1.262,1233 1.328,1234 0.09,1235 1.337,1236 4.043,1238 5.361,1240 6.895,1242 8.534,1244 10.228,1246 4.723,1250 11.714,1252 0.507,1253 3.338,1254 16.088,1262 29.466,1263 77.404,1264 169.918,1265 197.417,1266 213.781,1267 216.536,1268 224.801,1269 39.575,1270 7.255,1271 117.54,1272 117.54,1273 18,1274 12.497,1275 4.17,1276 3.248,1277 44.334,1278 98,1279 82,1280 0.228,1281 183.793,1282 310.43,1283 440.216,1284 13370,1286 18.681,1287 0.719,1288 0.572,1289 18.681,1290 14.868,1291 12.566,1292 0.449,1293 0.283,1294 7.72,1295 11.842,1296 7.457,1297 6.267,1298 12.566,1299 7.915,1300 10.906,1301 0.28,1302 0.142,1303 10.906,1304 5.546,1305 9.324,1306 0.176,1307 0.076,1308 9.324,1309 4.003,1310 8.336,1311 0.117,1312 0.04,1313 8.336,1314 2.831,1315 6.424,1316 0.076,1317 0.022,1318 6.424,1319 1.848,1320 0.356,1321 80.593,1322 0.234,1323 24.872,1324 0.631,1325 134,1326 435.454,1327 150.74,1328 412.306,1329 566.61,1330 388,1331 159,1332 418.65,1333 176.017,1334 426.963,1335 621.39,1336 396,1337 4.699}
{0 CHEMBL16950,1 1.725,2 10.24,3 1.324,4 1.754,5 95.372,6 7.85,7 0.593,8 3.923,9 4.038,10 3.516,11 3.302,12 5.148,13 3.349,14 4.408,15 4.57,16 3.853,17 3.641,18 5.589,19 3.68,20 4.468,21 4.603,22 3.954,23 3.763,24 5.656,25 3.791,26 4.647,27 4.806,28 3.975,29 3.835,30 5.869,31 3.82,32 4.779,33 4.99,34 3.686,35 3.804,36 5.823,37 3.741,38 4.648,39 4.883,40 3.48,41 3.712,42 5.579,43 3.61,44 4.578,45 4.858,46 3.473,47 3.586,48 5.474,49 3.489,50 4.421,51 4.678,52 3.517,53 3.421,54 5.438,55 3.39,56 0.168,57 0.646,58 8.844,59 3.329,60 13.752,61 4.295,62 0.573,63 0.922,64 17.532,65 5.543,66 37.875,67 7.018,68 0.501,69 1.061,70 16.528,71 5.602,72 24.767,73 7.555,74 0.706,75 1.146,76 21.022,77 7.308,78 44.866,79 9.96,80 0.967,81 1.135,82 27.895,83 7.566,84 65.639,85 10.293,86 0.641,87 1.016,88 24.32,89 7.219,90 43.212,91 10.442,92 0.534,93 0.901,94 24.381,95 7.05,96 41.969,97 10.869,98 0.623,99 0.773,100 20.53,101 5.254,102 40.663,103 8.209,104 35,105 38,106 0.3,107 0.654,108 0.735,109 0.762,110 0.773,111 0.805,112 3.267,113 0.822,114 -2.24,115 -2.28,116 -2.25,119 36.4,124 3,125 1,139 2,140 2,141 4,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 1,169 2,170 6,172 3,173 3,175 4,178 1,180 1,181 2,182 4,187 2,191 1,192 2,193 2,195 3,196 6,197 1,198 1,200 2,201 2,204 1,205 1,210 3,211 1,212 1,214 1,215 2,218 1,221 4,234 7,238 1,239 2,240 1,243 2,245 2,246 1,259 5,262 2,263 2,265 2,270 2,273 823,274 16.989,275 16.989,276 16.989,277 16.989,278 16.989,279 15.037,280 26.188,281 9.751,282 17.734,283 13.119,284 13.119,285 13.119,286 13.119,287 13.119,288 9.934,289 40.004,290 4.322,291 14.039,292 3.735,293 1.697,294 1.228,295 1.075,296 1.012,297 0.824,298 3.945,300 1,301 1,302 1,303 539,304 3.082,306 55.623,307 150.606,310 104.171,314 1.37,315 27.305,318 1,319 0.83,320 1,321 0.8,323 1,324 1,325 0.8,326 56.5,327 256,328 4.638,329 3.374,330 6.78,331 4.165,332 3.189,333 4.608,334 0.86,335 11.108,336 3.117,337 4.419,338 3.267,339 6.523,340 4.003,341 3.059,342 4.104,343 0.86,344 10.257,345 2.88,346 3.72,347 2.615,348 5.358,349 3.314,350 2.378,351 3.159,352 0.86,353 6.893,354 2.223,355 3.554,356 2.555,357 5.241,358 3.164,359 2.223,360 2.876,361 0.657,362 6.553,363 2.084,364 3.405,365 2.398,366 5.19,367 2.972,368 2.061,369 2.785,371 6.118,372 1.867,373 3.355,374 2.067,375 5.063,376 2.923,377 1.98,378 2.604,380 5.79,381 1.865,382 3.047,383 1.992,384 4.756,385 2.673,386 1.714,387 2.221,389 4.964,390 1.638,391 2.314,392 1.88,393 3.809,394 1.999,395 1.167,396 1.253,398 2.511,399 0.968,400 2.217,401 1.072,402 3.589,403 1.831,404 0.859,405 1.18,407 2.102,408 0.832,409 1.782,410 0.916,411 3.193,412 1.528,413 0.605,414 0.693,415 1.388,416 0.556,417 1.576,418 0.907,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.396,426 0.761,427 2.687,428 1.146,429 0.301,430 0.323,431 0.39,432 0.253,433 1.114,434 0.163,435 2.527,436 0.715,437 -0.212,438 -0.262,439 -0.507,440 -0.196,441 0.916,442 -0.097,443 2.469,444 0.524,445 -0.396,446 -0.494,448 -0.862,449 -0.36,450 0.743,451 -0.296,452 2.294,453 0.377,454 -0.532,455 -0.631,457 -1.228,458 -0.48,459 11.333,460 0.453,461 0.606,462 0.024,463 34.5,464 1.38,465 17,466 0.68,467 17.5,468 0.7,469 17.761,470 0.71,471 28.267,472 0.642,473 26.35,474 1.054,475 7.296,476 0.292,477 4.77,478 0.191,479 0.203,481 0.397,485 1.053,486 1.46,487 0.778,488 1.229,489 1.174,490 0.957,491 1.277,492 0.774,493 0.763,494 0.691,495 0.861,496 0.625,497 0.94,498 1.41,499 0.873,500 1.193,501 0.894,502 1.028,503 0.74,504 1.308,505 0.97,506 1.378,507 0.624,508 1.274,509 1.483,510 0.819,511 1.393,512 0.956,513 1.425,514 1.134,515 1.078,516 0.994,517 1.224,518 1.102,519 1.019,520 1.188,521 0.679,522 0.855,523 0.72,524 0.888,525 0.613,526 0.829,527 0.768,528 0.832,529 0.671,530 0.751,531 0.839,532 0.679,533 5.5,534 0.144,535 2.889,536 2.472,537 1.854,538 0.67,539 0.416,540 0.255,541 0.368,542 0.272,543 6746,544 21549,545 2.015,546 43.2,548 13,549 1,551 5,555 1.68,556 1.852,557 3.298,558 2.686,559 1,560 1,562 1,564 75.895,565 1.725,566 3.762,567 4.231,568 4.385,569 4.447,570 4.635,571 2.679,572 4.134,573 4.62,574 3.447,575 1034.21,576 7.985,577 12567.7,579 1,582 240.215,583 1.516,584 4.555,585 0.204,586 0.008,587 0.076,588 0.06,589 0.048,590 0.024,591 0.018,592 0.011,593 0.015,594 0.011,595 0.475,596 0.17,597 1,598 1.017,599 120.476,600 -0.167,601 -0.191,602 0.034,603 -0.122,604 -0.247,605 0.005,606 -0.111,607 0.299,608 0.183,609 0.333,610 0.081,611 0.323,612 0.011,613 -0.214,614 -0.017,615 -0.126,616 -0.058,617 -0.074,618 0.235,619 -0.209,620 -0.072,621 -0.326,622 0.272,623 -0.302,624 -0.314,625 0.133,626 -0.392,627 -0.006,628 -0.364,629 -0.195,630 -0.2,631 -0.05,632 -0.255,633 -0.1,634 -0.237,635 -0.176,636 0.069,637 -0.008,638 0.295,639 0.106,640 0.184,641 0.238,642 0.169,643 0.046,644 0.363,645 0.197,646 0.121,647 0.328,648 1.594,649 1.925,650 0.6,651 19.59,652 1.023,653 1.142,654 1.012,655 1.023,656 0.64,657 3.332,658 3.664,659 3.97,660 4.263,661 4.394,662 4.431,663 4.454,664 4.511,665 4.585,666 4.663,667 6.043,668 0.628,669 345.4,670 3.332,671 4.875,672 5.74,673 6.635,674 7.514,675 8.412,676 9.295,677 10.193,678 11.078,679 11.976,680 11.4,684 2,685 1,690 2,694 2,695 3,696 2,698 1,700 7,702 16,711 2,712 1,716 3,718 44,719 16,720 1,721 27,723 46,724 16,725 12,726 4,727 2,729 3,730 4,741 12,742 4,753 1,754 1,756 1,757 19,758 9,759 5,760 9,764 5,769 0.667,770 4,776 1,780 1,781 2,784 1,802 2,806 3,810 25,811 2,816 1,817 1,818 3,829 9.1,834 4,836 13.5,837 8.733,838 5.722,839 2.131,840 3.141,841 1.438,842 0.97,843 5.171,844 10.312,845 3.584,846 4.245,847 4.895,848 5.521,849 5.982,850 6.261,851 6.515,852 6.818,853 6.965,854 7.25,855 0.857,856 41,857 9.128,859 3.757,860 7.86,861 16.956,863 13.109,865 2.36,866 59,870 164.795,871 98.327,872 117.376,874 42.507,877 98.327,878 207.302,879 117.376,880 32.649,881 2.106,882 96.486,883 55.989,884 66.753,885 15.998,886 153.024,888 164.795,889 215.703,890 42.507,893 164.795,894 42.507,897 8.412,898 155.709,899 51.582,901 164.795,902 159.883,903 98.327,906 164.795,907 34.986,908 63.341,909 18.011,910 141.872,911 164.795,912 159.883,913 98.327,915 0.575,916 0.362,917 0.211,918 0.106,919 18,920 9,921 0.13,922 6,923 1,924 1.133,925 3.598,926 205.35,927 0.133,928 15,929 108.096,933 17.597,934 7.346,935 3.438,936 0.987,937 159.883,938 5.184,939 7.992,941 5.405,943 3.563,945 83.805,946 423.005,947 35,956 45.003,957 50.236,958 0.316,959 0.689,960 0.775,961 0.803,962 0.815,963 0.849,964 4.82,965 1.167,966 5.74,967 4.964,968 4.344,969 4.931,970 1.841,971 6.589,972 4.225,973 6.054,974 0.859,975 7.324,976 2.511,977 4.007,978 4.913,980 7.576,981 3.859,982 7.39,983 0.605,984 9.007,985 2.102,986 5.974,987 7.247,988 1.538,989 10.683,990 5.772,991 8.766,992 0.396,993 10.746,994 1.388,995 6.447,996 8.047,998 12.494,999 6.218,1000 10.173,1001 0.301,1002 12.523,1003 0.603,1004 7.894,1005 9.877,1006 1.278,1007 15.13,1008 7.628,1009 11.602,1010 -0.212,1011 14.326,1012 0.39,1013 8.74,1014 11.058,1016 17.286,1017 8.446,1018 13.049,1019 -0.396,1020 16.148,1021 -0.507,1022 9.992,1023 12.693,1024 1.053,1025 19.763,1026 9.668,1027 3.189,1028 -0.532,1029 17.986,1030 -0.862,1031 11.007,1032 14.053,1034 22.058,1035 10.656,1036 3.059,1037 11.108,1038 19.837,1039 -1.228,1040 12.188,1041 15.612,1042 0.858,1043 24.478,1044 11.809,1045 2.378,1046 10.257,1047 21.698,1048 4.608,1049 13.277,1050 17.054,1052 26.829,1053 12.87,1054 2.223,1055 6.893,1056 23.567,1057 4.104,1058 14.432,1059 18.582,1060 0.691,1061 29.228,1062 13.999,1063 2.061,1064 6.553,1065 25.442,1066 3.159,1067 15.553,1068 20.062,1070 31.601,1071 15.093,1072 1.98,1073 6.118,1074 27.323,1075 2.876,1076 16.7,1077 21.581,1078 0.549,1079 33.994,1080 16.215,1081 1.714,1082 5.79,1083 29.208,1084 2.785,1085 17.835,1086 23.079,1088 36.378,1089 17.323,1090 6688,1091 12077,1092 17.512,1093 28.176,1094 39.734,1095 40.994,1096 42.795,1097 39.754,1098 39.866,1099 52.518,1100 6.475,1101 117.353,1102 37.248,1103 5.48,1104 5.374,1105 6.323,1106 5.237,1107 5.189,1108 7.608,1109 1.72,1110 18.028,1111 5.117,1112 14.412,1113 1.472,1114 1.518,1115 1.585,1116 1.472,1117 1.477,1118 1.945,1119 0.24,1120 4.346,1121 1.38,1122 4.09,1123 4.112,1124 4.07,1125 3.94,1126 5.363,1127 3.968,1128 3.926,1129 3.937,1130 3.892,1131 3.812,1132 4.989,1133 3.829,1134 3.464,1135 3.536,1136 3.387,1137 3.223,1138 4.976,1139 3.255,1140 3.303,1141 3.355,1142 3.17,1143 3.006,1144 4.944,1145 3.031,1146 3.282,1147 3.341,1148 3.144,1149 3.003,1150 4.58,1151 3.026,1152 3.204,1153 3.283,1154 2.987,1155 2.895,1156 4.471,1157 2.895,1158 3.087,1159 3.197,1160 2.959,1161 2.764,1162 4.325,1163 2.793,1164 3.027,1165 3.127,1166 2.812,1167 2.724,1168 4.136,1169 2.749,1170 0.172,1171 0.125,1172 0.251,1173 0.154,1174 0.118,1175 4.638,1176 0.171,1177 3.374,1178 0.032,1179 6.78,1180 0.411,1181 4.165,1182 0.115,1183 3.189,1184 4.608,1185 0.86,1186 11.108,1187 3.117,1188 1.886,1189 1.869,1190 1.965,1191 2.027,1192 1.123,1193 2.007,1194 1.805,1195 1.778,1196 1.855,1197 1.98,1198 1.009,1199 1.941,1200 1.476,1201 1.441,1202 1.635,1203 1.724,1204 0.637,1205 1.701,1206 1.227,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.203,1213 1.139,1214 1.57,1215 1.518,1216 0.571,1217 1.532,1218 1.157,1219 1.07,1220 1.523,1221 1.475,1222 0.552,1223 1.485,1224 0.972,1225 0.91,1226 1.265,1227 1.356,1228 0.201,1229 1.339,1230 0.955,1231 0.845,1232 1.202,1233 1.326,1234 0.09,1235 1.301,1236 4.007,1238 5.333,1239 2.398,1240 6.862,1241 4.727,1242 8.491,1243 6.843,1244 10.173,1246 4.68,1250 11.498,1252 0.434,1253 3.264,1254 15.994,1262 27.654,1263 75.895,1264 165.532,1265 186.176,1266 192.931,1267 195.686,1268 203.95,1269 37.845,1270 7.17,1271 130.68,1272 130.68,1273 17,1274 12.502,1275 4.087,1276 3.17,1277 41.836,1278 93,1279 81,1280 0.227,1281 171.532,1282 287.26,1283 410.299,1284 11816,1286 17.974,1287 0.719,1288 0.565,1289 17.974,1290 14.121,1291 12.066,1292 0.447,1293 0.274,1294 7.175,1295 11.221,1296 6.947,1297 5.83,1298 12.066,1299 7.399,1300 10.552,1301 0.278,1302 0.136,1303 10.552,1304 5.176,1305 9.082,1306 0.175,1307 0.071,1308 9.082,1309 3.703,1310 8.122,1311 0.116,1312 0.037,1313 8.122,1314 2.557,1315 6.009,1316 0.075,1317 0.02,1318 6.009,1319 1.586,1320 0.354,1321 78.501,1322 0.239,1323 24.119,1324 0.623,1325 130,1326 465.19,1327 150.393,1328 431.732,1329 590.37,1330 406,1331 155,1332 437.014,1333 176.003,1334 441.093,1335 643.93,1336 408,1337 4.432}
{0 CHEMBL17044,1 1.711,2 9.435,3 1.341,4 1.797,5 88.909,6 7.884,7 0.64,8 3.829,9 3.949,10 3.428,11 3.238,12 5.053,13 3.278,14 4.303,15 4.464,16 3.768,17 3.584,18 5.499,19 3.61,20 4.39,21 4.545,22 3.816,23 3.682,24 5.541,25 3.693,26 4.531,27 4.706,28 3.777,29 3.717,30 5.717,31 3.68,32 4.609,33 4.852,34 3.493,35 3.66,36 5.623,37 3.567,38 4.455,39 4.716,40 3.422,41 3.536,42 5.361,43 3.452,44 4.321,45 4.526,46 3.497,47 3.43,48 5.394,49 3.408,50 4.265,51 4.472,52 3.463,53 3.372,54 5.427,55 3.34,56 0.136,57 0.607,58 7.912,59 2.994,60 12.842,61 3.851,62 0.45,63 0.875,64 15.143,65 5.123,66 32.147,67 6.484,68 0.337,69 0.993,70 15.374,71 5.191,72 21.085,73 7.051,74 0.572,75 1.047,76 18.873,77 6.368,78 41.73,79 8.773,80 0.71,81 1.016,82 23.417,83 6.52,84 53.174,85 9.472,86 0.4,87 0.849,88 20.502,89 6.286,90 32.714,91 9.344,92 0.514,93 0.748,94 17.311,95 5.319,96 34.24,97 7.18,98 0.49,99 0.736,100 15.634,101 4.659,102 33.263,103 6.774,104 21,105 35,106 0.303,107 0.684,108 0.782,109 0.83,110 0.848,111 0.874,112 3.188,113 0.824,114 -2.73,115 -2.75,116 -2.67,119 37.5,124 2,125 1,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 2,169 2,170 7,172 3,173 3,175 3,178 1,180 1,182 5,185 1,187 3,189 1,191 1,192 1,195 3,196 5,197 1,198 2,200 2,201 1,204 1,205 1,206 1,207 1,210 2,211 1,212 1,214 1,215 2,218 1,221 3,229 2,233 1,234 4,238 1,239 1,240 1,241 1,243 1,245 3,246 3,248 1,249 1,251 1,256 1,259 2,260 2,262 1,263 1,265 2,270 2,273 667,274 15.618,275 15.618,276 15.618,277 15.618,278 15.618,279 13.668,280 22.895,281 9.024,282 16.202,283 12.197,284 12.197,285 12.197,286 12.197,287 12.197,288 9.114,289 33.686,290 4.094,291 12.954,292 3.611,293 1.459,294 0.907,295 0.638,296 0.538,297 0.388,298 3.867,300 1,301 1,302 1,303 460,304 2.828,306 47.618,307 133.086,310 89.577,314 1.285,315 23.35,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51.5,327 217,328 4.638,329 3.277,330 6.78,331 4.165,332 3.189,333 4.608,334 0.86,335 11.108,336 3.117,337 4.265,338 3.141,339 6.172,340 3.855,341 2.901,342 3.91,343 0.86,344 9.169,345 2.764,346 3.709,347 2.684,348 5.307,349 3.272,350 2.34,351 3.155,352 0.657,353 6.701,354 2.178,355 3.543,356 2.519,357 5.22,358 3.155,359 2.235,360 2.855,362 6.488,363 2.047,364 3.407,365 2.097,366 5.063,367 2.924,368 1.98,369 2.788,371 5.791,372 1.867,373 3.088,374 2.06,375 4.773,376 2.742,377 1.799,378 2.259,380 5.046,381 1.69,382 2.89,383 1.802,384 4.384,385 2.488,386 1.533,387 2.029,389 4.193,390 1.458,391 2.305,392 1.249,393 3.589,394 1.838,395 0.861,396 1.222,398 2.117,399 0.84,400 1.996,401 0.925,402 3.26,403 1.681,404 0.783,405 0.918,407 1.607,408 0.695,409 1.737,410 0.906,411 3,412 1.477,413 0.563,414 0.645,415 1.139,416 0.512,417 1.444,418 0.753,419 2.699,420 1.178,421 0.32,422 0.352,423 0.439,424 0.272,425 1.115,426 0.098,427 2.64,428 0.715,429 -0.214,430 -0.264,431 -0.515,432 -0.197,433 0.912,434 -0.131,435 2.413,436 0.514,437 -0.409,438 -0.514,439 -0.891,440 -0.374,441 0.734,442 -0.296,443 2.216,444 0.37,445 -0.541,446 -0.642,448 -1.225,449 -0.488,450 0.615,451 -0.463,452 2.054,453 0.21,454 -0.736,455 -0.909,457 -1.924,458 -0.691,459 10.5,460 0.457,461 0.554,462 0.024,463 32.5,464 1.413,465 16.5,466 0.717,467 16,468 0.696,469 15.148,470 0.659,471 25.5,472 0.638,473 23.483,474 1.021,475 6.797,476 0.296,477 4.321,478 0.188,479 0.171,481 0.381,485 1.064,486 1.385,487 0.78,488 1.138,489 1.207,490 0.909,491 1.174,492 0.825,493 0.765,494 0.771,495 0.762,496 0.704,497 1.06,498 1.387,499 0.932,500 1.181,501 0.935,502 1.043,503 0.864,504 1.274,505 1.094,506 1.319,507 0.765,508 1.291,509 1.057,510 0.785,511 1.251,512 0.961,513 1.219,514 1.114,515 0.79,516 0.878,517 0.834,518 0.957,519 0.705,520 0.908,521 1.201,522 0.905,523 0.889,524 0.901,525 0.947,526 0.854,527 0.805,528 1.11,529 0.926,530 1.115,531 0.837,532 1.061,533 5,534 0.091,535 2.667,536 1.91,537 1.383,538 0.608,539 0.402,540 0.313,541 0.28,542 0.178,543 5404,544 16791,545 2.041,546 42.5,548 11,549 1,551 5,555 1.658,556 1.89,557 3.204,558 2.761,559 1,560 1,562 1,564 68.422,565 1.711,566 3.863,567 4.415,568 4.684,569 4.784,570 4.934,571 2.616,572 4.263,573 4.499,574 3.335,575 843.72,576 7.748,577 9622.42,578 1,579 1,582 212.877,583 1.478,584 4.443,585 0.2,586 0.01,587 0.076,588 0.053,589 0.043,590 0.026,591 0.017,592 0.013,593 0.012,594 0.01,595 0.462,596 0.17,597 1,598 0.942,599 107.292,600 -0.176,601 -0.14,602 0.026,603 -0.066,604 -0.27,605 0.03,606 -0.043,607 0.262,608 0.156,609 0.254,610 0.136,611 0.241,612 -0.134,613 -0.24,614 -0.067,615 -0.15,616 -0.115,617 -0.098,618 0.118,619 -0.209,620 -0.185,621 -0.306,622 0.139,623 -0.336,624 -0.102,625 0.173,626 -0.26,627 -0.02,628 -0.239,629 -0.15,630 -0.006,631 0.011,632 0.163,633 0.051,634 0.058,635 0.143,636 -0.023,638 0.118,639 0.112,640 0.034,641 0.139,642 0.213,643 -0.131,644 0.045,645 -0.134,646 0.138,647 -0.091,648 1.585,649 1.909,650 0.652,651 16.696,652 1.02,653 1.14,654 1.501,655 2.254,656 0.649,657 3.258,658 3.584,659 3.871,660 4.143,661 4.29,662 4.357,663 4.369,664 4.419,665 4.466,666 4.489,667 5.625,668 0.635,669 315.37,670 3.258,671 4.796,672 5.652,673 6.538,674 7.41,675 8.301,676 9.179,677 10.072,678 10.952,679 11.846,680 12.5,684 2,685 1,690 2,694 2,695 4,696 2,698 1,700 6,702 16,711 2,712 1,716 2,718 40,719 16,720 1,721 25,723 42,724 15,725 12,726 3,727 3,729 3,730 4,741 12,742 3,753 1,754 1,756 1,757 17,758 8,759 5,760 8,764 5,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,806 2,810 23,811 2,816 1,817 1,818 2,829 7.5,834 3,836 12.167,837 7.65,838 5.194,839 1.971,840 3.185,841 1.455,842 0.988,843 4.449,844 10.191,845 3.526,846 4.186,847 4.825,848 5.443,849 5.914,850 6.189,851 6.447,852 6.767,853 6.892,854 7.125,855 1,856 36,857 8.394,859 3.474,860 7.841,861 15.647,863 12.217,865 2.341,866 53.833,870 141.253,871 91.677,872 117.376,874 31.507,877 91.677,878 172.76,879 117.376,880 21.766,881 2.106,882 105.963,883 55.989,884 50.509,885 15.998,886 129.482,888 141.253,889 209.053,890 31.507,893 141.253,894 31.507,897 8.412,898 149.059,899 51.582,901 141.253,902 148.883,903 91.677,906 141.253,907 29.742,908 61.934,909 18.011,910 130.873,911 141.253,912 148.883,913 91.677,915 0.578,916 0.352,917 0.196,918 0.099,919 17,920 8,921 0.119,922 5,923 1,924 1.133,925 3.474,926 182.374,927 0.133,928 15,929 104.042,933 15.704,934 6.516,935 3.132,936 1.012,937 148.883,938 7.076,939 7.983,941 5.394,943 3.403,945 83.805,946 381.813,947 33,956 40.793,957 45.611,958 0.321,959 0.726,960 0.83,961 0.88,962 0.899,963 0.927,964 4.754,965 0.861,966 5.645,967 4.193,968 4.263,969 4.871,970 1.573,971 6.472,972 4.157,973 5.984,974 0.783,975 7.216,976 2.117,977 3.892,978 4.808,980 7.416,981 3.753,982 7.312,983 0.563,984 8.884,985 1.607,986 5.872,987 7.177,988 1.27,989 10.511,990 5.691,991 8.68,992 0.32,993 10.609,994 1.139,995 6.312,996 7.943,998 12.295,999 6.106,1000 10.079,1001 -0.214,1002 12.372,1003 0.439,1004 7.768,1005 9.795,1006 1.022,1007 14.92,1008 7.533,1009 11.5,1010 -0.409,1011 14.162,1012 -0.515,1013 8.585,1014 10.955,1016 17.062,1017 8.331,1018 12.94,1019 -0.541,1020 15.973,1021 -0.891,1022 9.839,1023 12.603,1024 0.818,1025 19.531,1026 9.562,1027 3.189,1028 -0.736,1029 17.8,1030 -1.225,1031 10.833,1032 13.952,1034 21.824,1035 10.539,1036 2.901,1037 11.108,1038 19.641,1039 -1.924,1040 12.011,1041 15.518,1042 0.65,1043 24.241,1044 11.696,1045 2.34,1046 9.169,1047 21.493,1048 4.608,1049 13.086,1050 16.958,1052 26.595,1053 12.752,1054 2.235,1055 6.701,1056 23.354,1057 3.91,1058 14.237,1059 18.492,1060 0.511,1061 28.997,1062 13.883,1063 1.98,1064 6.488,1065 25.223,1066 3.155,1067 15.349,1068 19.973,1070 31.378,1071 14.976,1072 1.799,1073 5.791,1074 27.099,1075 2.855,1076 16.493,1077 21.497,1078 0.399,1079 33.777,1080 16.099,1081 1.533,1082 5.046,1083 28.979,1084 2.788,1085 17.622,1086 22.999,1088 36.169,1089 17.209,1090 5335,1091 9526,1092 16.414,1093 25.96,1094 37.004,1095 37.791,1096 39.097,1097 36.959,1098 37.012,1099 49.479,1100 4.755,1101 107.595,1102 34.883,1103 5.486,1104 5.277,1105 6.349,1106 5.237,1107 5.189,1108 7.608,1109 1.72,1110 17.998,1111 5.117,1112 12.162,1113 1.48,1114 1.512,1115 1.564,1116 1.478,1117 1.48,1118 1.979,1119 0.19,1120 4.304,1121 1.395,1122 4.089,1123 4.111,1124 4.069,1125 3.939,1126 5.363,1127 3.967,1128 3.913,1129 3.932,1130 3.869,1131 3.811,1132 4.985,1133 3.822,1134 3.453,1135 3.527,1136 3.377,1137 3.217,1138 4.951,1139 3.248,1140 3.323,1141 3.371,1142 3.186,1143 3.027,1144 4.919,1145 3.054,1146 3.187,1147 3.266,1148 3.048,1149 2.889,1150 4.604,1151 2.912,1152 3.118,1153 3.201,1154 2.947,1155 2.855,1156 4.238,1157 2.848,1158 3.072,1159 3.194,1160 2.878,1161 2.728,1162 4.136,1163 2.775,1164 2.772,1165 2.846,1166 2.604,1167 2.612,1168 4.009,1169 2.6,1170 0.186,1171 0.131,1172 0.271,1173 0.167,1174 0.128,1175 4.638,1176 0.184,1177 3.277,1178 0.034,1179 6.78,1180 0.444,1181 4.165,1182 0.125,1183 3.189,1184 4.608,1185 0.86,1186 11.108,1187 3.117,1188 1.889,1189 1.868,1190 1.981,1191 2.025,1192 1.123,1193 2.009,1194 1.806,1195 1.777,1196 1.86,1197 1.976,1198 1.009,1199 1.942,1200 1.474,1201 1.438,1202 1.63,1203 1.713,1204 0.634,1205 1.694,1206 1.238,1207 1.179,1208 1.591,1209 1.567,1210 0.585,1211 1.57,1212 1.135,1213 1.043,1214 1.534,1215 1.45,1216 0.555,1217 1.476,1218 1.03,1219 0.966,1220 1.28,1221 1.367,1222 0.24,1223 1.354,1224 0.957,1225 0.871,1226 1.22,1227 1.356,1228 0.137,1229 1.318,1230 0.838,1231 0.748,1232 1.114,1233 1.131,1235 1.135,1236 3.932,1238 5.252,1239 2.398,1240 6.772,1241 4.727,1242 8.387,1243 6.843,1244 10.053,1246 3.215,1250 11.47,1252 0.452,1253 3.268,1254 10.56,1262 25.412,1263 68.422,1264 154.513,1265 176.612,1266 187.367,1267 191.367,1268 197.367,1269 31.363,1270 7.006,1271 121.45,1272 121.45,1273 17,1274 12.375,1275 4.087,1276 3.17,1277 36.833,1278 79,1279 70,1280 0.235,1281 157.944,1282 261.17,1283 377.143,1284 9760,1286 16.397,1287 0.713,1288 0.556,1289 16.397,1290 12.79,1291 11.118,1292 0.445,1293 0.275,1294 6.687,1295 10.418,1296 6.505,1297 5.441,1298 11.118,1299 6.87,1300 9.822,1301 0.281,1302 0.138,1303 9.822,1304 4.828,1305 8.392,1306 0.179,1307 0.073,1308 8.392,1309 3.431,1310 7.258,1311 0.117,1312 0.037,1313 7.258,1314 2.32,1315 5.313,1316 0.074,1317 0.019,1318 5.313,1319 1.404,1320 0.364,1321 71.693,1322 0.247,1323 22.409,1324 0.653,1325 120,1326 409.454,1327 137.515,1328 385.348,1329 529.3,1330 362,1331 142,1332 395.469,1333 159.35,1334 399.203,1335 581.43,1336 371,1337 4.678}
{0 CHEMBL170846,1 1.665,2 14,3 2.686,4 7.216,5 119.55,6 7.939,7 0.486,8 4.144,9 4.248,10 3.728,11 3.63,12 5.403,13 3.641,14 4.637,15 4.791,16 4.085,17 4.002,18 5.988,19 3.987,20 4.926,21 5.112,22 4.165,23 4.167,24 6.131,25 4.132,26 5.028,27 5.224,28 4.12,29 4.189,30 6.234,31 4.137,32 5.046,33 5.259,34 4.11,35 4.183,36 6.337,37 4.112,38 4.987,39 5.199,40 4.062,41 4.132,42 6.375,43 4.052,44 4.898,45 5.112,46 3.969,47 4.044,48 6.184,49 3.971,50 4.805,51 5.023,52 3.869,53 3.896,54 6.041,55 3.851,56 0.192,57 0.82,58 10.57,59 4.951,60 28.694,61 5.911,62 0.554,63 1.284,64 19.428,65 7.814,66 85.001,67 10.242,68 0.695,69 1.574,70 28.739,71 10.265,72 96.297,73 13.523,74 0.859,75 1.643,76 33.344,77 11.299,78 127.827,79 14.719,80 0.984,81 1.613,82 35.305,83 12.307,84 163.217,85 16.603,86 1.108,87 1.525,88 33.256,89 11.868,90 165.734,91 15.938,92 0.767,93 1.399,94 30.21,95 10.821,96 131.838,97 14.667,98 0.687,99 1.285,100 27.869,101 8.597,102 94.713,103 11.662,104 64,105 48,106 0.271,107 0.65,108 0.821,109 0.885,110 0.891,111 0.891,112 3.531,113 0.884,114 -3.74,115 -3.71,116 -3.53,119 40.4,120 1,121 2,125 2,127 1,139 7,140 3,141 1,143 1,144 1,145 1,153 3,161 2,165 2,166 9,167 1,169 1,170 9,173 4,175 4,176 1,178 8,179 2,182 11,185 1,186 1,187 6,189 4,190 1,193 10,194 1,196 1,198 5,199 1,201 6,202 1,203 1,206 1,207 3,208 2,210 2,211 1,212 2,213 2,215 13,216 2,220 4,221 2,222 1,224 4,225 1,226 2,229 16,230 3,233 1,234 3,237 1,239 3,241 8,242 2,246 11,247 1,251 7,254 2,255 2,259 1,260 9,263 1,265 6,273 2002,274 21.8,275 21.8,276 21.8,277 21.8,278 21.8,279 19.308,280 23.706,281 12.78,282 22.149,283 17.165,284 17.165,285 17.165,286 17.165,287 17.165,288 13.369,289 27.651,290 5.951,291 17.685,292 4.168,293 1.841,294 0.792,295 0.399,296 0.364,297 0.364,298 4.21,301 1,302 1,303 963,304 4.796,307 335.935,311 180.733,314 2.303,315 50.737,318 1,319 0.5,320 0.83,321 0.8,322 0.5,323 0.83,324 0.5,325 0.71,326 74,327 462,328 4.511,329 3.777,330 6.479,331 4.024,332 3.053,333 4.456,334 2.375,335 10.074,336 2.966,337 4.239,338 3.592,339 6.187,340 3.91,341 2.928,342 3.801,343 2.341,344 9.18,345 2.881,346 3.985,347 3.521,348 6.079,349 3.754,350 2.794,351 3.266,352 1.061,353 8.786,354 2.675,355 3.82,356 3.198,357 5.817,358 3.562,359 2.569,360 3.089,361 0.916,362 7.843,363 2.53,364 3.64,365 3.06,366 5.27,367 3.244,368 2.263,369 2.981,370 0.172,371 6.688,372 2.217,373 3.524,374 2.508,375 5.03,376 3.177,377 2.171,378 2.786,379 0.14,380 5.688,381 2.154,382 3.401,383 2.178,384 4.645,385 2.906,386 1.967,387 2.686,389 5.121,390 1.84,391 3.02,392 2.124,393 4.421,394 2.635,395 1.656,396 2.147,398 4.301,399 1.61,400 2.901,401 2.031,402 4.105,403 2.358,404 1.42,405 2.045,407 3.511,408 1.326,409 2.599,410 1.505,411 4.032,412 2.279,413 1.301,414 1.584,415 3.315,416 1.258,417 2.5,418 1.413,419 3.607,420 2.077,421 1.066,422 1.5,423 2.551,424 1.065,425 2.442,426 1.104,427 3.414,428 2,429 1,430 1.337,431 2.275,432 1,433 2.367,434 1.024,435 3.369,436 1.878,437 0.921,438 1.301,439 2.141,440 0.877,441 1.571,442 1,443 2.929,444 1.364,445 0.39,446 0.42,448 0.777,449 0.376,450 1.514,451 0.581,452 2.835,453 1.326,454 0.334,455 0.377,457 0.655,458 0.327,459 15.1,460 0.458,461 0.894,462 0.027,463 42.75,464 1.295,465 21.5,466 0.652,467 21.25,468 0.644,469 27.418,470 0.831,471 36.5,472 0.64,473 37.21,474 1.128,475 8.712,476 0.264,477 7.066,478 0.214,479 0.166,481 0.358,485 0.85,486 1.332,487 0.778,488 1.07,489 0.756,490 0.933,491 0.503,492 1.153,493 0.784,494 1.043,495 0.422,496 0.985,497 0.89,498 1.118,499 0.968,500 1.034,501 0.852,502 1.018,503 1.084,504 1.053,505 1.127,506 1.056,507 1.06,508 1.09,509 0.782,510 0.984,511 0.943,512 1.031,513 0.836,514 1.036,515 0.609,516 0.824,517 0.936,518 1.005,519 0.668,520 1.054,521 0.731,522 1.082,523 0.902,524 1.098,525 0.742,526 1.062,527 1.098,528 1.077,529 1.037,530 0.995,531 1.01,532 0.99,533 7.5,534 0.214,535 4.222,536 2,537 2.009,538 1.208,539 0.73,540 0.589,541 0.427,542 0.218,543 15783,544 55330,545 1.976,546 42.1,548 12,550 1,551 4,552 2,553 5,555 1.75,556 1.817,557 3.746,558 1.603,560 1,564 94.884,565 1.665,566 3.992,567 5.041,568 5.434,569 5.469,570 5.469,571 3.268,572 4.597,573 5.015,574 3.962,575 2091.84,576 8.768,577 32791.2,579 1,582 332.475,583 1.52,584 4.954,585 0.214,586 0.008,587 0.088,588 0.039,589 0.043,590 0.026,591 0.017,592 0.015,593 0.012,594 0.007,595 0.469,596 0.17,597 0.88,598 1.706,599 178.308,600 -0.129,601 -0.12,602 -0.011,603 0.029,604 -0.105,605 0.036,606 0.191,607 0.013,608 0.051,609 -0.005,610 0.194,611 -0.011,612 -0.076,613 -0.053,614 -0.056,615 -0.024,616 -0.064,617 -0.033,618 -0.167,619 -0.041,620 -0.174,621 -0.063,622 -0.151,623 -0.108,624 0.079,625 -0.032,626 0.031,627 -0.016,628 0.057,629 -0.009,630 0.249,631 0.137,632 0.035,633 0.009,634 0.194,635 -0.029,636 0.085,637 -0.137,638 0.064,639 -0.07,640 0.095,641 -0.021,642 -0.164,643 -0.092,644 -0.046,645 -0.034,646 -0.092,647 -0.008,648 2.954,649 5.431,650 0.485,651 39.232,652 1.021,653 1.13,654 2.514,655 6.322,656 0.656,657 3.584,658 3.892,659 4.111,660 4.304,661 4.533,662 4.564,663 4.654,664 4.727,665 4.828,666 4.787,667 8.297,668 0.643,669 452.51,670 3.584,671 5.118,672 5.948,673 6.81,674 7.661,675 8.525,676 9.383,677 10.249,678 11.111,679 11.978,680 7,686 1,687 1,690 2,694 2,695 8,696 2,700 4,702 17,707 1,714 1,715 1,718 57,719 20,720 2,721 35,723 59,724 23,725 14,726 5,727 7,728 1,729 3,730 4,734 1,739 3,741 17,742 6,744 3,748 3,751 3,754 1,757 24,758 10,759 4,760 10,764 4,769 0.667,770 6,776 1,781 3,785 1,792 2,800 2,802 2,806 1,810 33,815 3,816 4,817 1,820 1,821 1,829 10.5,831 3,832 3,836 18.167,837 10.2,838 7.389,839 3.342,840 3.44,841 1.453,842 0.904,843 8.067,844 11.038,845 3.861,846 4.431,847 4.951,848 5.484,849 6.055,850 6.293,851 6.643,852 6.946,853 7.343,854 7.366,855 1,856 51,857 12.262,859 5.297,860 8.222,861 22.32,863 17.847,865 2.722,866 89.833,869 1,870 235.422,871 113.427,872 54.706,874 203.485,877 113.427,878 438.907,879 54.706,880 8.825,881 27.291,882 66.334,883 255.351,884 25.588,886 223.651,888 235.422,889 168.134,890 203.485,893 176.567,894 262.34,897 46.879,898 87.683,899 33.571,901 235.422,902 258.191,903 113.427,906 235.422,907 29.65,908 86.902,909 18.011,910 237.056,911 235.422,912 258.191,913 113.427,915 0.58,916 0.33,917 0.167,918 0.094,919 20,920 11,921 0.169,922 10,923 1,924 1.125,925 4.338,926 286.521,927 0.125,928 16,929 162.465,933 24.269,934 10.969,935 6.328,936 1.21,937 258.191,938 13.558,939 7.94,943 1.981,945 146.061,946 607.04,947 46.5,951 34.426,954 -3.008,956 58.207,957 64.402,958 0.285,959 0.684,960 0.864,961 0.932,962 0.938,963 0.938,964 5.089,965 1.656,966 5.938,967 5.121,968 4.575,969 5.118,970 3.11,971 6.72,972 4.519,973 6.294,974 1.42,975 7.489,976 4.301,977 4.205,978 4.966,979 2.903,980 7.594,981 4.125,982 7.596,983 1.301,984 9.138,985 3.511,986 6.151,987 7.289,988 4.388,989 10.634,990 6.044,991 8.929,992 1.066,993 10.842,994 3.315,995 6.553,996 7.929,997 4.832,998 12.297,999 6.421,1000 10.291,1001 1,1002 12.58,1003 2.551,1004 7.993,1005 9.776,1006 5.948,1007 14.855,1008 7.836,1009 11.673,1010 0.921,1011 14.342,1012 2.275,1013 8.746,1014 10.811,1015 6.632,1016 16.849,1017 8.563,1018 13.071,1019 0.39,1020 16.121,1021 2.141,1022 9.98,1023 12.457,1024 7.604,1025 19.229,1026 9.773,1027 3.053,1028 0.334,1029 17.911,1030 0.777,1031 10.903,1032 13.705,1033 8.385,1034 21.373,1035 10.668,1036 2.928,1037 10.074,1038 19.712,1039 0.655,1040 12.048,1041 15.259,1042 9.295,1043 23.686,1044 11.789,1045 2.794,1046 9.18,1047 21.52,1048 4.456,1049 13.055,1050 16.622,1051 10.118,1052 25.899,1053 12.768,1054 2.569,1055 8.786,1056 23.333,1057 3.801,1058 14.163,1059 18.134,1060 11,1061 28.188,1062 13.851,1063 2.263,1064 7.843,1065 25.152,1066 3.266,1067 15.211,1068 19.558,1069 11.843,1070 30.436,1071 14.872,1072 2.171,1073 6.688,1074 26.975,1075 3.089,1076 16.306,1077 21.054,1078 12.712,1079 32.718,1080 15.941,1081 1.967,1082 5.688,1083 28.801,1084 2.981,1085 17.374,1086 22.509,1087 13.563,1088 34.985,1089 16.983,1090 15590,1091 29323,1092 22.482,1093 37.364,1094 52.211,1095 53.797,1096 54.153,1097 51.762,1098 51.667,1099 67.555,1100 14.012,1101 145.812,1102 50.206,1103 5.422,1104 5.777,1105 6.025,1106 5.095,1107 5.053,1108 7.456,1109 3.989,1110 16.758,1111 4.966,1112 20.891,1113 1.492,1114 1.537,1115 1.547,1116 1.479,1117 1.476,1118 1.93,1119 0.4,1120 4.166,1121 1.434,1122 4.074,1123 4.104,1124 4.037,1125 3.986,1126 7.477,1127 3.994,1128 3.945,1129 3.974,1130 3.896,1131 3.861,1132 7.471,1133 3.864,1134 3.764,1135 3.803,1136 3.677,1137 3.589,1138 7.428,1139 3.601,1140 3.588,1141 3.647,1142 3.495,1143 3.406,1144 6.476,1145 3.417,1146 3.449,1147 3.469,1148 3.387,1149 3.228,1150 6.352,1151 3.243,1152 3.396,1153 3.452,1154 3.282,1155 3.167,1156 6.35,1157 3.201,1158 3.199,1159 3.214,1160 3.113,1161 2.961,1162 4.987,1163 2.989,1164 3.067,1165 3.115,1166 2.965,1167 2.893,1168 4.718,1169 2.904,1170 0.129,1171 0.108,1172 0.185,1173 0.115,1174 0.087,1175 4.511,1176 0.127,1177 3.777,1178 0.068,1179 6.479,1180 0.288,1181 4.024,1182 0.085,1183 3.053,1184 4.456,1185 2.375,1186 10.074,1187 2.966,1188 2.018,1189 1.994,1190 2.095,1191 2.124,1192 1.26,1193 2.115,1194 1.914,1195 1.889,1196 2.011,1197 2.025,1198 1.22,1199 2.021,1200 1.705,1201 1.663,1202 1.9,1203 1.908,1204 1.118,1205 1.903,1206 1.55,1207 1.485,1208 1.809,1209 1.759,1210 0.965,1211 1.773,1212 1.367,1213 1.306,1214 1.559,1215 1.608,1216 0.7,1217 1.581,1218 1.302,1219 1.279,1220 1.469,1221 1.575,1222 0.582,1223 1.558,1224 1.088,1225 1.055,1226 1.314,1227 1.361,1228 0.335,1229 1.325,1230 1.005,1231 0.97,1232 1.181,1233 1.256,1234 0.231,1235 1.235,1236 4.263,1238 5.572,1240 7.069,1242 8.652,1244 10.28,1246 1.988,1251 27.936,1252 0.657,1253 2.362,1256 -1.284,1257 2.066,1262 36.642,1263 94.884,1264 227.539,1265 287.313,1266 309.72,1267 311.72,1268 311.72,1269 96.337,1270 7.598,1271 152.95,1272 152.95,1273 18,1274 12.524,1275 4.392,1276 3.644,1277 64.528,1278 166,1279 152,1280 0.188,1281 228.167,1282 404.38,1283 548.488,1284 21979,1286 23.957,1287 0.726,1288 0.543,1289 23.957,1290 17.933,1291 15.778,1292 0.451,1293 0.295,1294 10.146,1295 15.051,1296 9.95,1297 8.233,1298 15.778,1299 10.312,1300 14.278,1301 0.297,1302 0.154,1303 14.278,1304 7.407,1305 11.302,1306 0.188,1307 0.086,1308 11.302,1309 5.179,1310 8.791,1311 0.12,1312 0.046,1313 8.791,1314 3.385,1315 7.23,1316 0.079,1317 0.025,1318 7.23,1319 2.269,1320 0.304,1321 100.024,1322 0.211,1323 31.199,1324 0.493,1325 166,1326 588.924,1327 187.25,1328 560.588,1329 731.94,1330 516,1331 191,1332 510.718,1333 209.57,1334 513.118,1335 742.07,1336 481,1337 7.238}
{0 CHEMBL171480,1 1.671,2 14,3 3.53,4 12.458,5 122.382,6 8.259,7 0.472,8 4.13,9 4.228,10 3.748,11 3.637,12 5.442,13 3.654,14 4.602,15 4.742,16 4.099,17 3.999,18 5.995,19 3.992,20 4.892,21 5.059,22 4.182,23 4.17,24 6.147,25 4.141,26 5.023,27 5.22,28 4.146,29 4.193,30 6.255,31 4.149,32 4.999,33 5.196,34 4.151,35 4.187,36 6.364,37 4.132,38 4.944,39 5.141,40 4.119,41 4.144,42 6.412,43 4.084,44 4.846,45 5.032,46 4.022,47 4.064,48 6.229,49 4.009,50 4.799,51 5.012,52 3.921,53 3.921,54 6.101,55 3.888,56 0.204,57 0.797,58 9.452,59 4.754,60 37.436,61 5.307,62 0.547,63 1.251,64 17.002,65 7.4,66 88.296,67 9.118,68 0.666,69 1.554,70 25.512,71 10.116,72 109.113,73 12.417,74 0.916,75 1.665,76 32.631,77 11.315,78 147.469,79 14.036,80 0.976,81 1.594,82 32.062,83 11.894,84 177.722,85 15.144,86 1.098,87 1.516,88 30.415,89 11.451,90 180.861,91 14.652,92 0.737,93 1.388,94 26.334,95 10.433,96 143.28,97 13.17,98 0.724,99 1.317,100 27.235,101 8.806,102 116.728,103 11.283,104 67,105 49,106 0.271,107 0.681,108 0.826,109 0.891,110 0.896,111 0.896,112 3.56,113 0.854,114 -3.88,115 -3.84,116 -3.65,119 42.9,121 2,125 2,127 1,137 1,138 1,139 7,140 3,141 1,143 1,144 1,145 1,153 3,161 2,165 2,166 10,167 1,169 1,170 9,173 4,175 4,176 1,178 8,179 2,182 12,185 1,186 1,187 6,189 4,190 1,193 10,194 1,196 1,198 5,199 1,201 6,202 1,203 1,206 1,207 3,208 2,210 2,211 1,212 2,213 2,215 16,216 2,220 4,221 2,222 1,224 4,225 1,226 2,229 20,230 3,233 1,234 3,237 1,239 3,241 11,242 2,246 11,247 1,251 7,254 2,255 2,259 1,260 12,263 1,265 8,273 2224,274 22.507,275 22.507,276 22.507,277 22.507,278 22.507,279 19.808,280 24.072,281 13.39,282 22.821,283 17.703,284 17.703,285 17.703,286 17.703,287 17.703,288 13.58,289 27.346,290 6.254,291 18.214,292 4.137,293 1.615,294 0.722,295 0.321,296 0.286,297 0.286,298 4.24,301 1,302 1,303 990,304 4.899,307 348.362,311 187.344,314 2.235,315 53.947,318 1,319 0.5,320 0.83,321 0.6,323 0.83,324 0.5,325 0.61,326 76,327 476,328 4.511,329 3.777,330 6.479,331 4.024,332 3.053,333 4.456,334 2.375,335 10.075,336 2.966,337 4.241,338 3.592,339 6.192,340 3.911,341 2.93,342 3.802,343 2.341,344 9.216,345 2.882,346 3.995,347 3.522,348 6.081,349 3.758,350 2.798,351 3.271,352 1.102,353 8.797,354 2.679,355 3.825,356 3.244,357 5.818,358 3.564,359 2.571,360 3.089,361 1.061,362 7.845,363 2.533,364 3.642,365 3.086,366 5.27,367 3.244,368 2.264,369 2.983,370 0.461,371 6.689,372 2.218,373 3.524,374 2.517,375 5.03,376 3.177,377 2.172,378 2.786,379 0.14,380 5.688,381 2.154,382 3.468,383 2.328,384 4.645,385 2.906,386 1.967,387 2.687,389 5.121,390 1.84,391 3.401,392 2.142,393 4.448,394 2.682,395 1.702,396 2.224,398 4.419,399 1.659,400 2.987,401 2.122,402 4.118,403 2.361,404 1.421,405 2.093,407 3.526,408 1.337,409 2.899,410 1.916,411 4.039,412 2.342,413 1.361,414 1.87,415 3.398,416 1.317,417 2.555,418 1.457,419 3.61,420 2.127,421 1.113,422 1.5,423 2.57,424 1.113,425 2.5,426 1.229,427 3.414,428 2,429 1,430 1.41,431 2.275,432 1,433 2.425,434 1.104,435 3.372,436 1.909,437 0.942,438 1.332,439 2.157,440 0.907,441 2.355,442 1.012,443 3.128,444 1.798,445 0.83,446 1.175,448 1.585,449 0.8,450 1.57,451 1,452 2.875,453 1.342,454 0.341,455 0.384,457 0.771,458 0.335,459 15.6,460 0.459,461 0.894,462 0.026,463 45.25,464 1.331,465 23.5,466 0.691,467 21.75,468 0.64,469 26.874,470 0.79,471 36.6,472 0.654,473 40.542,474 1.192,475 9.403,476 0.277,477 6.875,478 0.202,479 0.16,481 0.346,485 0.859,486 1.264,487 0.753,488 1.003,489 0.773,490 0.877,491 0.521,492 1.138,493 0.802,494 1.031,495 0.447,496 0.988,497 0.893,498 1.197,499 1.015,500 1.116,501 0.888,502 1.102,503 1.096,504 0.966,505 1.109,506 0.965,507 1.053,508 1.019,509 0.819,510 0.954,511 0.961,512 1.002,513 0.892,514 1.023,515 0.633,516 0.756,517 0.921,518 0.933,519 0.722,520 0.997,521 0.776,522 1.112,523 0.97,524 1.141,525 0.842,526 1.124,527 1.1,528 0.986,529 0.999,530 0.9,531 1.008,532 0.907,533 7.5,534 0.227,535 4.222,536 2,537 2.009,538 1.208,539 0.75,540 0.632,541 0.497,542 0.228,543 16788,544 61279,545 1.977,546 39.3,548 12,549 1,550 1,551 4,552 2,553 2,555 1.759,556 1.821,557 3.74,558 1.575,560 1,564 93.556,565 1.671,566 4.192,567 5.086,568 5.486,569 5.522,570 5.522,571 3.268,572 4.653,573 5.058,574 3.961,575 2222.3,576 8.864,577 35472.2,582 325.212,583 1.508,584 4.999,585 0.208,586 0.008,587 0.086,588 0.038,589 0.041,590 0.025,591 0.016,592 0.015,593 0.013,594 0.006,595 0.456,596 0.17,597 0.75,598 1.767,599 184.985,600 -0.136,601 -0.106,602 -0.017,603 0.038,604 -0.113,605 0.04,606 0.182,607 0.007,608 0.006,609 -0.032,610 0.174,611 -0.054,612 -0.08,613 -0.149,614 -0.122,615 -0.117,616 -0.09,617 -0.132,618 -0.171,619 0.026,620 -0.13,621 0.013,622 -0.153,623 -0.031,624 0.064,625 -0.002,626 0.018,627 0.011,628 0.031,629 0.002,630 0.245,631 0.205,632 0.056,633 0.079,634 0.173,635 0.026,636 0.058,637 -0.154,638 -0.022,639 -0.113,640 0.034,641 -0.096,642 -0.164,643 -0.008,644 0.016,645 0.064,646 -0.088,647 0.09,648 2.974,649 5.455,650 0.471,651 41.142,652 1.024,653 1.125,654 2.654,655 7.046,656 0.671,657 3.611,658 3.912,659 4.127,660 4.331,661 4.564,662 4.605,663 4.691,664 4.787,665 4.92,666 4.852,667 8.315,668 0.663,669 462.5,670 3.611,671 5.142,672 5.969,673 6.83,674 7.679,675 8.544,676 9.402,677 10.268,678 11.13,679 11.998,680 7.1,686 1,687 1,690 2,694 2,695 8,696 2,700 4,702 17,707 1,714 1,715 1,718 56,719 21,720 2,721 36,723 58,724 24,725 14,726 5,727 7,728 1,729 3,730 4,739 3,740 2,741 17,742 5,744 3,748 3,751 3,754 1,757 22,758 10,759 4,760 10,764 4,769 0.667,770 6,776 1,781 3,785 1,788 1,789 1,792 2,800 2,802 2,810 34,815 3,816 4,817 1,820 1,821 1,823 1,824 1,827 1,829 10.7,831 3,832 3,836 18.667,837 9.783,838 7.639,839 3.05,840 3.428,841 1.449,842 0.907,843 8.287,844 11.064,845 3.922,846 4.466,847 4.972,848 5.509,849 6.083,850 6.334,851 6.686,852 7.021,853 7.46,854 7.461,855 1,856 52,857 12.603,859 5.446,860 8.275,861 22.746,863 18.102,865 2.775,866 94.333,869 1,870 211.88,871 144.954,872 54.706,874 203.485,877 144.954,878 415.365,879 54.706,881 27.291,882 66.334,883 255.351,884 25.588,885 52.123,886 188.338,888 211.88,889 199.66,890 203.485,893 188.338,894 227.027,897 38.054,898 111.005,899 50.602,901 211.88,902 258.191,903 144.954,906 211.88,907 29.65,908 78.077,909 35.041,910 260.377,911 211.88,912 258.191,913 144.954,915 0.575,916 0.325,917 0.168,918 0.097,919 20,920 11,921 0.172,922 10,923 1,924 1.125,925 4.405,926 298.925,927 0.125,928 16,929 168.974,933 24.817,934 11.353,935 6.602,936 1.127,937 258.191,938 13.125,939 7.908,943 1.689,945 146.061,946 615.025,947 49.5,951 34.475,954 -3.08,956 57.323,957 62.986,958 0.288,959 0.722,960 0.876,961 0.945,962 0.951,963 0.951,964 5.155,965 1.702,966 5.953,967 5.121,968 4.595,969 5.153,970 3.161,971 6.732,972 4.541,973 6.364,974 1.421,975 7.501,976 4.419,977 4.205,978 4.966,979 2.903,980 7.594,981 4.125,982 7.663,983 1.361,984 9.146,985 3.526,986 6.163,987 7.31,988 4.406,989 10.643,990 6.057,991 8.992,992 1.113,993 10.848,994 3.398,995 6.553,996 7.929,997 4.835,998 12.302,999 6.421,1000 10.349,1001 1,1002 12.585,1003 2.57,1004 8.001,1005 9.786,1006 5.953,1007 14.864,1008 7.845,1009 11.725,1010 0.942,1011 14.346,1012 2.275,1013 8.748,1014 10.812,1015 6.633,1016 16.857,1017 8.565,1018 13.117,1019 0.83,1020 16.124,1021 2.157,1022 9.986,1023 12.461,1024 7.605,1025 19.239,1026 9.778,1027 3.053,1028 0.341,1029 17.915,1030 1.585,1031 10.907,1032 13.706,1033 8.385,1034 21.383,1035 10.671,1036 2.93,1037 10.075,1038 19.715,1039 0.771,1040 12.054,1041 15.26,1042 9.295,1043 23.697,1044 11.794,1045 2.798,1046 9.216,1047 21.523,1048 4.456,1049 13.06,1050 16.623,1051 10.118,1052 25.911,1053 12.771,1054 2.571,1055 8.797,1056 23.337,1057 3.802,1058 14.17,1059 18.135,1060 11,1061 28.2,1062 13.856,1063 2.264,1064 7.845,1065 25.156,1066 3.271,1067 15.217,1068 19.559,1069 11.843,1070 30.448,1071 14.876,1072 2.172,1073 6.689,1074 26.978,1075 3.089,1076 16.312,1077 21.054,1078 12.712,1079 32.731,1080 15.946,1081 1.967,1082 5.688,1083 28.805,1084 2.983,1085 17.381,1086 22.509,1087 13.563,1088 34.997,1089 16.987,1090 16623,1091 31869,1092 23.175,1093 37.602,1094 54.654,1095 55.635,1096 55.372,1097 53.104,1098 53.04,1099 70.268,1100 14.959,1101 148.519,1102 51.583,1103 5.422,1104 5.777,1105 6.243,1106 5.096,1107 5.053,1108 7.456,1109 3.989,1110 16.759,1111 4.966,1112 21.366,1113 1.518,1114 1.545,1115 1.538,1116 1.475,1117 1.473,1118 1.952,1119 0.416,1120 4.126,1121 1.433,1122 4.073,1123 4.103,1124 4.037,1125 3.987,1126 7.477,1127 3.994,1128 3.945,1129 3.974,1130 3.897,1131 3.861,1132 7.471,1133 3.865,1134 3.764,1135 3.802,1136 3.679,1137 3.589,1138 7.428,1139 3.601,1140 3.591,1141 3.639,1142 3.514,1143 3.446,1144 6.476,1145 3.453,1146 3.449,1147 3.467,1148 3.387,1149 3.273,1150 6.352,1151 3.284,1152 3.408,1153 3.448,1154 3.331,1155 3.177,1156 6.35,1157 3.222,1158 3.21,1159 3.218,1160 3.166,1161 2.996,1162 5.43,1163 3.029,1164 3.073,1165 3.117,1166 2.982,1167 2.894,1168 4.986,1169 2.908,1170 0.125,1171 0.105,1172 0.18,1173 0.112,1174 0.085,1175 4.511,1176 0.124,1177 3.777,1178 0.066,1179 6.479,1180 0.28,1181 4.024,1182 0.082,1183 3.053,1184 4.456,1185 2.375,1186 10.075,1187 2.966,1188 2.018,1189 1.994,1190 2.092,1191 2.123,1192 1.252,1193 2.114,1194 1.913,1195 1.889,1196 2.008,1197 2.023,1198 1.22,1199 2.018,1200 1.705,1201 1.664,1202 1.898,1203 1.906,1204 1.105,1205 1.9,1206 1.55,1207 1.503,1208 1.715,1209 1.73,1210 0.847,1211 1.726,1212 1.373,1213 1.328,1214 1.526,1215 1.606,1216 0.585,1217 1.558,1218 1.303,1219 1.283,1220 1.469,1221 1.542,1222 0.576,1223 1.543,1224 1.1,1225 1.074,1226 1.301,1227 1.349,1228 0.32,1229 1.307,1230 1.005,1231 0.971,1232 1.181,1233 1.25,1234 0.218,1235 1.234,1236 4.29,1238 5.595,1240 7.086,1242 8.665,1244 10.292,1251 27.964,1252 0.083,1253 2.341,1256 -1.311,1257 1.886,1259 5.533,1261 2.594,1262 37.116,1263 93.556,1264 234.766,1265 284.806,1266 307.212,1267 309.212,1268 309.212,1269 103.063,1270 7.636,1271 152.95,1272 152.95,1273 18,1274 12.544,1275 4.459,1276 3.858,1277 67.514,1278 170,1279 162,1280 0.191,1281 231.905,1282 416.4,1283 557.608,1284 22698,1286 24.665,1287 0.725,1288 0.53,1289 24.665,1290 18.01,1291 16.278,1292 0.452,1293 0.285,1294 10.081,1295 15.56,1296 9.905,1297 8.186,1298 16.278,1299 10.247,1300 14.659,1301 0.299,1302 0.152,1303 14.659,1304 7.453,1305 11.438,1306 0.188,1307 0.083,1308 11.438,1309 5.079,1310 9.016,1311 0.12,1312 0.045,1313 9.016,1314 3.348,1315 7.446,1316 0.078,1317 0.024,1318 7.446,1319 2.237,1320 0.307,1321 103.024,1322 0.208,1323 31.885,1324 0.504,1325 170,1326 612.924,1327 191.25,1328 587.829,1329 763.96,1330 540,1331 195,1332 528.718,1333 213.737,1334 534.147,1335 769.04,1336 499,1337 5.648}
{0 CHEMBL17232,1 1.773,2 14,3 0.295,4 0.087,5 113.149,6 8.221,7 0.485,8 4.078,9 4.203,10 3.678,11 3.507,12 5.38,13 3.544,14 4.544,15 4.695,16 4.054,17 3.893,18 5.967,19 3.896,20 4.822,21 5.013,22 4.081,23 4.008,24 6.07,25 3.993,26 4.894,27 5.094,28 4.059,29 3.994,30 6.179,31 3.972,32 4.903,33 5.128,34 3.965,35 3.933,36 6.296,37 3.898,38 4.764,39 4.978,40 3.931,41 3.872,42 6.249,43 3.831,44 4.653,45 4.845,46 3.822,47 3.789,48 6.092,49 3.755,50 4.598,51 4.838,52 3.628,53 3.648,54 5.81,55 3.603,56 0.267,57 0.815,58 9.517,59 3.698,60 38.908,61 4.657,62 0.576,63 1.221,64 16.409,65 6.728,66 89.093,67 8.846,68 0.785,69 1.41,70 25.186,71 7.8,72 110.832,73 10.934,74 0.931,75 1.416,76 28.205,77 8.527,78 134.641,79 11.556,80 1.198,81 1.312,82 30.932,83 8.088,84 183.895,85 11.496,86 1.019,87 1.16,88 26.672,89 8.451,90 167.498,91 11.872,92 0.806,93 1.086,94 22.348,95 7.269,96 130.748,97 9.799,98 0.677,99 0.99,100 23.007,101 6.11,102 90.081,103 9.116,104 59,105 46,106 0.294,107 0.705,108 0.838,109 0.883,110 0.889,111 0.889,112 3.471,113 0.839,114 -2.59,115 -2.61,116 -2.54,119 36.5,121 2,125 1,127 1,139 4,140 3,141 1,144 1,147 1,148 1,153 3,155 1,157 2,158 2,159 2,161 2,165 2,166 6,167 1,169 1,170 4,172 3,173 7,175 9,176 1,178 4,179 2,180 1,182 6,185 1,186 1,187 9,189 2,190 1,191 1,193 4,194 1,195 1,196 2,197 4,198 5,199 1,200 4,201 3,202 1,203 1,204 1,205 1,206 1,207 2,208 2,210 4,211 2,212 2,213 2,214 1,215 7,216 2,218 1,220 1,221 2,222 1,224 3,225 2,226 4,229 7,230 3,233 1,234 7,237 1,238 1,239 7,240 1,241 3,242 2,243 2,246 7,251 7,252 1,255 2,256 2,260 5,263 1,264 1,265 7,270 3,273 1606,274 20.223,275 20.223,276 20.223,277 20.223,278 20.223,279 17.791,280 25.778,281 11.821,282 20.554,283 16.25,284 16.25,285 16.25,286 16.25,287 16.25,288 12.485,289 34.257,290 5.605,291 16.783,292 3.927,293 1.455,294 0.654,295 0.385,296 0.346,297 0.346,298 4.148,301 1,303 906,304 4.528,306 81.67,307 212.273,310 151.39,314 2.258,315 51.441,318 0.5,319 0.67,320 0.5,321 0.4,323 0.5,324 0.5,325 0.44,326 70.5,327 434,328 4.638,329 3.777,330 6.78,331 4.155,332 3.188,333 4.608,334 2.375,335 11.107,336 3.084,337 4.206,338 3.592,339 6.116,340 3.885,341 2.892,342 3.771,343 2.341,344 8.889,345 2.868,346 3.895,347 3.521,348 5.832,349 3.643,350 2.654,351 3.173,352 1.061,353 7.91,354 2.613,355 3.731,356 3.27,357 5.366,358 3.37,359 2.405,360 3.12,361 0.657,362 6.938,363 2.321,364 3.655,365 2.699,366 5.249,367 3.226,368 2.28,369 2.951,370 0.14,371 6.581,372 2.157,373 3.523,374 2.459,375 5.063,376 3.175,377 2.17,378 2.788,380 5.79,381 2.138,382 3.406,383 2.149,384 4.756,385 2.9,386 1.98,387 2.686,389 5.12,390 1.818,391 3.062,392 2.068,393 4.645,394 2.686,395 1.731,396 2.232,398 4.968,399 1.646,400 2.87,401 2.003,402 4.201,403 2.437,404 1.446,405 1.917,407 3.753,408 1.417,409 2.5,410 1.83,411 3.625,412 2.142,413 1.129,414 1.5,415 2.624,416 1.125,417 2.481,418 1.104,419 3.589,420 2,421 1,422 1.369,423 2.275,424 1,425 2.305,426 1,427 3.414,428 1.79,429 0.859,430 1.22,431 2.119,432 0.798,433 1.827,434 0.949,435 3.23,436 1.549,437 0.609,438 0.716,439 1.51,440 0.571,441 1.569,442 0.793,443 2.828,444 1.335,445 0.335,446 0.379,448 0.757,449 0.329,450 1.138,451 0.546,452 2.682,453 0.749,454 -0.196,455 -0.244,457 -0.511,458 -0.184,459 13.967,460 0.451,461 0.932,462 0.03,463 40.75,464 1.315,465 20,466 0.645,467 20.75,468 0.669,469 23.678,470 0.764,471 34.633,472 0.666,473 35.009,474 1.129,475 8.405,476 0.271,477 6.335,478 0.204,479 0.177,481 0.394,485 0.965,486 1.305,487 0.798,488 0.958,489 0.824,490 0.826,491 0.449,492 1.16,493 0.731,494 1.143,495 0.408,496 1.038,497 0.974,498 1.261,499 1.008,500 1.111,501 0.938,502 1.074,503 1.098,504 1.087,505 1.119,506 1.142,507 1.099,508 1.146,509 1.046,510 0.74,511 1.13,512 0.868,513 1.045,514 0.982,515 0.663,516 0.876,517 0.815,518 0.976,519 0.682,520 0.951,521 0.958,522 1.103,523 1.038,524 1.152,525 0.933,526 1.135,527 1.024,528 1.012,529 1.022,530 0.96,531 0.925,532 0.973,533 7.5,534 0.197,535 3.778,536 2.222,537 1.832,538 1.136,539 0.619,540 0.408,541 0.354,542 0.234,543 13784,544 50616,545 1.975,546 40.4,548 7,549 1,551 9,552 2,553 2,555 1.731,556 1.806,557 3.715,558 6.056,560 1,564 92.212,565 1.773,566 4.245,567 5.047,568 5.316,569 5.354,570 5.354,571 3.208,572 4.503,573 4.927,574 3.947,575 1835.24,576 8.573,577 27879.3,579 1,582 296.423,583 1.541,584 4.858,585 0.227,586 0.009,587 0.082,588 0.048,589 0.043,590 0.03,591 0.016,592 0.012,593 0.013,594 0.009,595 0.489,596 0.17,597 0.75,598 1.699,599 165.138,600 -0.231,601 -0.013,602 -0.047,603 0.137,604 -0.166,605 0.118,606 0.249,607 0.048,608 0.071,609 -0.048,610 0.221,611 -0.048,612 -0.128,613 -0.197,614 -0.1,615 -0.087,616 -0.121,617 -0.087,618 -0.15,619 -0.071,620 -0.168,621 -0.152,622 -0.157,623 -0.173,624 -0.042,625 0.216,626 -0.12,627 0.073,628 -0.031,629 -0.014,630 0.263,631 0.048,632 0.179,633 0.071,634 0.27,635 0.102,636 -0.001,637 -0.123,638 -0.085,639 -0.103,640 0.052,641 -0.118,642 -0.16,643 -0.074,644 -0.016,645 0.014,646 -0.097,647 0.045,648 2.961,649 5.287,650 0.484,651 35.297,652 1.03,653 1.143,654 1.356,655 1.84,656 0.647,657 3.526,658 3.85,659 4.06,660 4.29,661 4.454,662 4.522,663 4.522,664 4.585,665 4.663,666 4.7,667 8.237,668 0.643,669 427.47,670 3.526,671 5.069,672 5.9,673 6.772,674 7.624,675 8.5,676 9.361,677 10.24,678 11.107,679 11.988,680 13.5,684 2,685 1,687 1,688 1,690 2,694 2,695 5,696 2,697 1,700 5,702 16,707 1,711 2,712 1,718 52,719 19,720 1,721 33,723 54,724 19,725 12,726 2,727 4,728 1,729 3,730 4,739 3,741 15,742 4,744 3,748 3,751 3,754 1,757 21,758 11,759 9,760 12,764 7,769 0.667,770 5,776 1,777 1,780 1,781 2,784 1,792 2,800 2,802 2,810 31,811 2,815 2,816 3,817 2,820 1,829 9.6,831 2,832 3,836 17.167,837 8.717,838 6.806,839 2.71,840 3.275,841 1.434,842 0.943,843 7.067,844 10.813,845 3.807,846 4.404,847 4.932,848 5.499,849 5.971,850 6.26,851 6.53,852 6.829,853 6.986,854 7.225,855 1,856 46,857 11.474,859 5.011,860 8.306,861 20.599,863 16.503,865 2.806,866 87,870 141.253,871 78.295,872 152.172,874 160.801,877 78.295,878 302.055,879 152.172,881 25.186,882 112.747,883 220.623,884 28.486,885 15.998,886 129.482,888 141.253,889 230.467,890 160.801,893 117.711,894 184.344,897 45.585,898 133.3,899 51.582,901 141.253,902 312.974,903 78.295,906 141.253,907 31.342,908 46.952,909 52.807,910 260.167,911 141.253,912 312.974,913 78.295,915 0.586,916 0.325,917 0.168,918 0.092,919 20,920 11,921 0.167,922 9,923 1,924 1.133,925 4.22,926 261.236,927 0.133,928 15,929 149.58,933 22.49,934 9.742,935 5.697,936 1.198,937 296.188,938 8.124,939 8.044,940 2.986,943 2.127,945 203.968,946 532.522,947 44,951 34.147,954 -3.039,956 53.534,957 59.442,958 0.311,959 0.745,960 0.885,961 0.933,962 0.939,963 0.939,964 5.043,965 1.731,966 5.9,967 5.12,968 4.533,969 5.091,970 3.081,971 6.693,972 4.47,973 6.263,974 1.446,975 7.456,976 4.968,977 4.205,978 5.017,979 2.882,980 7.588,981 4.125,982 7.576,983 1.129,984 9.11,985 3.753,986 6.116,987 7.298,988 4.381,989 10.652,990 6,991 8.921,992 1,993 10.818,994 2.624,995 6.553,996 8.03,997 4.828,998 12.385,999 6.425,1000 10.296,1001 0.859,1002 12.564,1003 2.275,1004 7.977,1005 9.843,1006 5.947,1007 14.991,1008 7.816,1009 11.692,1010 0.609,1011 14.337,1012 2.119,1013 8.768,1014 10.971,1015 6.631,1016 17.099,1017 8.593,1018 13.107,1019 0.335,1020 16.131,1021 1.51,1022 10.004,1023 12.603,1024 7.604,1025 19.555,1026 9.797,1027 3.188,1028 -0.196,1029 17.942,1030 0.757,1031 10.97,1032 13.935,1033 8.385,1034 21.83,1035 10.742,1036 2.892,1037 11.107,1038 19.767,1039 -0.511,1040 12.132,1041 15.495,1042 9.295,1043 24.24,1044 11.874,1045 2.654,1046 8.889,1047 21.604,1048 4.608,1049 13.184,1050 16.927,1051 10.118,1052 26.587,1053 12.9,1054 2.405,1055 7.91,1056 23.451,1057 3.771,1058 14.322,1059 18.461,1060 11,1061 28.986,1062 14.007,1063 2.28,1064 6.938,1065 25.307,1066 3.173,1067 15.417,1068 19.941,1069 11.843,1070 31.364,1071 15.073,1072 2.17,1073 6.581,1074 27.17,1075 3.12,1076 16.549,1077 21.466,1078 12.712,1079 33.763,1080 16.173,1081 1.98,1082 5.79,1083 29.04,1084 2.951,1085 17.667,1086 22.969,1087 13.563,1088 36.155,1089 17.259,1090 13605,1091 26168,1092 21.096,1093 33.642,1094 50.002,1095 51.456,1096 51.325,1097 49.434,1098 49.356,1099 64.861,1100 13.149,1101 140.685,1102 47.769,1103 5.549,1104 5.777,1105 6.194,1106 5.227,1107 5.188,1108 7.608,1109 3.989,1110 17.998,1111 5.084,1112 20.184,1113 1.515,1114 1.559,1115 1.555,1116 1.498,1117 1.496,1118 1.965,1119 0.398,1120 4.263,1121 1.448,1122 4.113,1123 4.16,1124 4.084,1125 3.976,1126 7.477,1127 3.997,1128 3.938,1129 3.968,1130 3.887,1131 3.851,1132 7.471,1133 3.855,1134 3.758,1135 3.795,1136 3.671,1137 3.587,1138 7.428,1139 3.598,1140 3.487,1141 3.55,1142 3.42,1143 3.243,1144 6.352,1145 3.278,1146 3.438,1147 3.471,1148 3.373,1149 3.169,1150 6.35,1151 3.214,1152 3.28,1153 3.332,1154 3.224,1155 3.012,1156 5.322,1157 3.057,1158 3.118,1159 3.214,1160 3.013,1161 2.813,1162 4.981,1163 2.852,1164 3.043,1165 3.117,1166 2.9,1167 2.735,1168 4.788,1169 2.747,1170 0.141,1171 0.114,1172 0.205,1173 0.126,1174 0.097,1175 4.638,1176 0.14,1177 3.777,1178 0.072,1179 6.78,1180 0.337,1181 4.155,1182 0.093,1183 3.188,1184 4.608,1185 2.375,1186 11.107,1187 3.084,1188 1.92,1189 1.894,1190 2.021,1191 2.037,1192 1.222,1193 2.031,1194 1.821,1195 1.786,1196 1.901,1197 2,1198 1.131,1199 1.965,1200 1.702,1201 1.661,1202 1.866,1203 1.903,1204 1.026,1205 1.898,1206 1.553,1207 1.489,1208 1.706,1209 1.765,1210 0.733,1211 1.757,1212 1.314,1213 1.291,1214 1.476,1215 1.619,1216 0.584,1217 1.569,1218 1.149,1219 1.104,1220 1.365,1221 1.472,1222 0.386,1223 1.443,1224 1.025,1225 0.954,1226 1.265,1227 1.375,1228 0.218,1229 1.353,1230 0.929,1231 0.829,1232 1.181,1233 1.31,1234 0.18,1235 1.259,1236 4.205,1238 5.525,1239 2.398,1240 7.018,1241 4.727,1242 8.596,1243 6.843,1244 10.223,1250 11.511,1251 17.848,1252 -0.172,1253 5.514,1256 -1.287,1262 33.411,1263 92.212,1264 220.755,1265 262.423,1266 276.423,1267 278.423,1268 278.423,1269 85.597,1270 7.538,1271 209.34,1272 209.34,1273 17,1274 12.526,1275 4.322,1276 3.585,1277 58.673,1278 158,1279 132,1280 0.183,1281 209.112,1282 362.03,1283 501.993,1284 20706,1286 22.543,1287 0.727,1288 0.524,1289 22.543,1290 16.254,1291 14.74,1292 0.447,1293 0.28,1294 9.049,1295 13.988,1296 8.939,1297 7.372,1298 14.74,1299 9.226,1300 13.775,1301 0.299,1302 0.146,1303 13.775,1304 6.732,1305 10.507,1306 0.184,1307 0.08,1308 10.507,1309 4.539,1310 8.58,1311 0.119,1312 0.041,1313 8.58,1314 2.988,1315 6.512,1316 0.077,1317 0.022,1318 6.512,1319 1.841,1320 0.298,1321 94.038,1322 0.218,1323 29.781,1324 0.472,1325 158,1326 568.419,1327 181.005,1328 544.53,1329 713.67,1330 500,1331 182,1332 505.927,1333 201.741,1334 507.164,1335 734.41,1336 476,1337 7.357}
{0 CHEMBL17235,1 1.947,2 9.409,3 3.367,4 11.334,5 90.397,6 11.207,7 0.667,8 3.635,9 3.738,10 3.519,11 3.208,12 4.914,13 3.222,14 4.085,15 4.204,16 3.966,17 3.61,18 5.409,19 3.6,20 4.275,21 4.409,22 4.238,23 3.728,24 5.586,25 3.682,26 4.298,27 4.462,28 4.027,29 3.587,30 5.639,31 3.528,32 4.24,33 4.455,34 3.481,35 3.415,36 5.378,37 3.32,38 4.04,39 4.25,40 3.415,41 3.343,42 5.106,43 3.239,44 3.872,45 4.033,46 3.574,47 3.261,48 5.117,49 3.206,50 3.826,51 3.982,52 3.735,53 3.176,54 5.2,55 3.139,56 0.191,57 0.496,58 1.907,59 2.128,60 16.683,61 1.837,62 0.364,63 0.73,64 4.975,65 3.953,66 25.992,67 4.11,68 0.514,69 0.806,70 16.778,71 5.139,72 38.06,73 4.805,74 0.641,75 0.781,76 15.717,77 5.533,78 47.628,79 5.946,80 0.646,81 0.716,82 16.899,83 5.302,84 55.728,85 5.061,86 0.435,87 0.568,88 18.338,89 5.078,90 37.09,91 5.849,92 0.359,93 0.49,94 10.359,95 3.903,96 27.409,97 4.113,98 0.45,99 0.432,100 10.953,101 3.354,102 34.293,103 2.886,104 26,105 35,106 0.361,107 0.731,108 0.807,109 0.846,110 0.846,111 0.846,112 3.147,113 0.908,114 -4.49,115 -4.42,116 -4.16,119 40.6,125 1,139 2,140 2,141 4,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 1,169 2,170 4,172 3,173 3,175 4,178 3,180 1,182 2,187 2,189 4,191 1,192 1,195 3,196 4,197 1,198 3,200 2,201 5,204 1,205 1,210 2,211 1,212 2,214 1,215 2,218 1,221 2,229 2,234 4,238 1,239 2,240 1,241 3,243 2,246 2,254 1,260 5,265 4,270 4,273 572,274 14.378,275 14.378,276 14.378,277 14.378,278 14.378,279 12.269,280 18.77,281 8.171,282 14.946,283 11.796,284 11.796,285 11.796,286 11.796,287 11.796,288 8.65,289 29.025,290 3.861,291 12.941,292 3.053,293 1.059,294 0.649,295 0.438,296 0.438,297 0.438,298 3.82,299 3,300 1,301 1,302 1,303 441,304 2.55,306 46.354,307 126.666,310 86.953,314 1.318,315 26.711,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 48.5,327 207,328 4.638,329 3.499,330 6.78,331 4.165,332 3.189,333 4.608,334 0.657,335 11.108,336 3.117,337 4.362,338 3.268,339 6.31,340 3.865,341 2.982,342 4.057,344 9.3,345 2.596,346 3.717,347 2.623,348 5.346,349 3.295,350 2.368,351 3.158,353 6.814,354 2.18,355 3.525,356 2.62,357 5.222,358 3.113,359 2.196,360 2.844,362 6.467,363 1.927,364 3.405,365 2.4,366 5.063,367 2.923,368 1.98,369 2.783,371 5.79,372 1.863,373 3.232,374 2.067,375 4.879,376 2.707,377 1.879,378 2.481,380 5.225,381 1.626,382 3.045,383 1.943,384 4.755,385 2.668,386 1.709,387 2.22,389 4.959,390 1.441,391 2.307,392 1.745,393 3.59,394 1.845,395 0.875,396 1.226,398 2.138,399 0.844,400 1.908,401 0.935,402 3.394,403 1.59,404 0.697,405 0.818,407 1.751,408 0.595,409 1.488,410 0.775,411 2.874,412 1.027,413 0.33,414 0.366,415 0.753,416 0.186,417 1.099,418 0.173,419 2.671,420 0.659,421 -0.249,422 -0.316,423 -0.661,424 -0.224,425 1,426 0.002,427 2.653,428 0.473,429 -0.347,430 -0.445,431 -0.898,432 -0.229,433 0.839,434 -0.246,435 2.345,436 0.431,437 -0.476,438 -0.588,439 -1.197,440 -0.425,441 0.427,442 -0.317,443 2,444 0.142,445 -0.741,446 -0.854,448 -1.934,449 -0.57,450 0.168,451 -0.538,452 2,453 -0.227,454 -1.088,455 -1.307,457 -2.693,458 -0.745,459 10.976,460 0.499,461 0.72,462 0.033,463 30.75,464 1.398,465 15.5,466 0.705,467 15.25,468 0.693,469 16.454,470 0.748,471 23.224,472 0.726,473 20.475,474 0.931,475 6.06,476 0.275,477 4.392,478 0.2,479 0.268,481 0.41,485 0.952,486 1.184,487 0.502,488 0.612,489 1.051,490 0.595,491 0.749,492 0.905,493 0.549,494 0.65,495 0.542,496 0.678,497 0.986,498 1.31,499 0.772,500 0.94,501 0.907,502 0.963,503 0.692,504 1.154,505 0.728,506 1.079,507 0.618,508 1.163,509 1.254,510 0.651,511 1.001,512 0.903,513 1.314,514 1.151,515 0.955,516 0.854,517 1.033,518 1.021,519 0.993,520 1.058,521 1.129,522 1.018,523 0.894,524 0.869,525 0.971,526 0.88,527 1.253,528 0.989,529 1.159,530 0.859,531 1.393,532 0.783,533 5.5,534 0.091,535 2.889,536 2.222,537 1.494,538 0.427,539 0.416,540 0.255,541 0.368,542 0.183,543 4889,544 21270,545 2.017,546 31.3,548 4,549 1,551 5,555 1.642,556 1.833,557 3.186,558 2.869,560 1,562 1,564 62.31,565 1.947,566 3.941,567 4.351,568 4.563,569 4.563,570 4.563,571 2.642,572 4.096,573 4.436,574 3.323,575 767.685,576 7.603,577 8446.87,578 1,579 1,580 1,581 1,582 160,583 1.544,584 4.36,585 0.229,586 0.011,587 0.083,588 0.063,589 0.052,590 0.022,591 0.022,592 0.012,593 0.018,594 0.011,595 0.524,596 0.17,597 1,598 0.688,599 101.179,600 -0.245,601 0.009,602 -0.03,603 0.126,604 -0.32,605 0.117,606 0.056,607 0.206,608 0.06,609 0.172,610 0.151,611 0.13,612 -0.102,613 -0.278,614 0.116,615 -0.036,616 -0.07,617 -0.086,618 0.276,619 -0.175,620 0.087,621 -0.152,622 0.278,623 -0.212,624 -0.273,625 0.312,626 -0.193,627 0.054,628 -0.348,629 -0.13,630 -0.118,631 0.029,632 -0.082,633 0.016,634 -0.143,635 0.081,636 -0.16,637 -0.086,638 0.004,639 0.115,640 -0.05,641 0.126,642 -0.11,643 -0.028,644 -0.001,645 0.141,646 -0.26,647 0.159,648 1.602,649 1.878,650 0.682,651 15.273,652 1.042,653 1.131,654 3.258,655 10.615,656 0.753,657 3.219,658 3.584,659 3.85,660 4.111,661 4.234,662 4.29,663 4.277,664 4.357,665 4.431,666 4.454,667 5.558,668 0.732,669 358.63,670 3.219,671 4.779,672 5.638,673 6.532,674 7.404,675 8.3,676 9.177,677 10.073,678 10.953,679 11.85,680 15.6,684 2,685 1,690 2,694 2,695 3,696 2,698 1,700 7,702 16,711 2,712 1,717 3,718 32,719 16,720 1,721 24,723 34,724 13,725 12,726 4,727 2,729 3,730 4,731 3,741 12,742 1,753 1,754 1,756 1,757 10,758 6,759 5,760 9,761 3,764 5,769 0.667,770 1,776 1,780 1,781 2,784 1,802 2,807 3,810 22,811 2,816 1,817 1,828 3,829 3.1,834 1,836 12,837 5.662,838 4.722,839 1.613,840 3.12,841 1.451,842 1.023,843 4.335,844 10.037,845 3.497,846 4.201,847 4.825,848 5.439,849 5.897,850 6.173,851 6.394,852 6.743,853 6.891,854 7.139,855 1,856 35,857 8.011,859 3.441,860 7.992,861 14.71,863 11.879,865 2.492,866 54.833,870 58.856,871 60.449,872 117.376,873 117.446,874 9.507,877 60.449,878 185.809,879 117.376,881 2.106,882 96.486,883 55.989,884 28.524,885 15.998,886 47.084,887 117.446,888 58.856,889 177.825,890 9.507,891 117.446,893 58.856,894 9.507,897 8.412,898 117.831,899 169.028,901 58.856,902 126.884,903 177.895,906 58.856,907 29.757,908 30.692,909 18.011,910 226.319,911 58.856,912 126.884,913 177.895,915 0.599,916 0.355,917 0.187,918 0.091,919 18,920 9,921 0.088,922 3,923 1,924 1.133,925 3.366,926 172.565,927 0.133,928 15,929 92.107,933 15.641,934 6.098,935 3.117,936 0.96,937 126.884,938 4.896,939 7.911,941 5.341,943 2.873,945 83.805,946 363.634,947 32,956 33.342,957 36.194,958 0.389,959 0.788,960 0.87,961 0.913,962 0.913,963 0.913,964 4.745,965 0.875,966 5.659,967 4.959,968 4.263,969 4.887,970 0.623,971 6.5,972 4.09,973 6.004,974 0.697,975 7.246,976 2.138,977 4.007,978 4.913,980 7.445,981 3.695,982 7.347,983 0.33,984 8.928,985 1.751,986 5.894,987 7.216,988 0.317,989 10.551,990 5.605,991 8.725,992 -0.249,993 10.664,994 0.753,995 6.399,996 8.026,998 12.31,999 5.997,1000 10.131,1001 -0.347,1002 12.433,1003 -0.661,1004 7.812,1005 9.85,1006 0.149,1007 14.956,1008 7.429,1009 11.559,1010 -0.476,1011 14.228,1012 -0.898,1013 8.665,1014 11.031,1016 17.078,1017 8.209,1018 13.004,1019 -0.741,1020 16.042,1021 -1.197,1022 9.904,1023 12.667,1024 0.067,1025 19.561,1026 9.448,1027 3.189,1028 -1.088,1029 17.872,1030 -1.934,1031 10.917,1032 14.025,1034 21.841,1035 10.417,1036 2.982,1037 11.108,1038 19.715,1039 -2.693,1040 12.09,1041 15.585,1042 0.03,1043 24.265,1044 11.581,1045 2.368,1046 9.3,1047 21.568,1048 4.608,1049 13.174,1050 17.027,1052 26.611,1053 12.637,1054 2.196,1055 6.814,1056 23.43,1057 4.057,1058 14.325,1059 18.556,1060 0.013,1061 29.016,1062 13.775,1063 1.98,1064 6.467,1065 25.3,1066 3.158,1067 15.441,1068 20.037,1070 31.392,1071 14.871,1072 1.879,1073 5.79,1074 27.175,1075 2.844,1076 16.585,1077 21.556,1078 0.006,1079 33.791,1080 16.001,1081 1.709,1082 5.225,1083 29.056,1084 2.783,1085 17.715,1086 23.055,1088 36.181,1089 17.116,1090 4811,1091 10164,1092 15.433,1093 24.102,1094 36.59,1095 37.951,1096 38.175,1097 36.558,1098 36.409,1099 49.125,1100 1.315,1101 108.611,1102 32.751,1103 5.476,1104 5.499,1105 6.129,1106 5.236,1107 5.189,1108 7.608,1109 1.315,1110 17.998,1111 5.117,1112 13.031,1113 1.525,1114 1.581,1115 1.591,1116 1.523,1117 1.517,1118 2.047,1119 0.055,1120 4.525,1121 1.365,1122 4.088,1123 4.11,1124 4.195,1125 3.945,1126 5.363,1127 3.969,1128 3.905,1129 3.918,1130 4.058,1131 3.853,1132 5.105,1133 3.848,1134 3.45,1135 3.521,1136 3.582,1137 3.223,1138 4.984,1139 3.251,1140 3.179,1141 3.237,1142 3.446,1143 2.94,1144 4.946,1145 2.959,1146 3.075,1147 3.196,1148 3.327,1149 2.849,1150 4.632,1151 2.815,1152 2.901,1153 2.918,1154 3.176,1155 2.729,1156 4.45,1157 2.778,1158 2.766,1159 2.809,1160 2.967,1161 2.609,1162 4.278,1163 2.602,1164 2.516,1165 2.643,1166 2.758,1167 2.206,1168 4.133,1169 2.213,1170 0.193,1171 0.146,1172 0.283,1173 0.174,1174 0.133,1175 4.638,1176 0.192,1177 3.499,1178 0.027,1179 6.78,1180 0.463,1181 4.165,1182 0.13,1183 3.189,1184 4.608,1185 0.657,1186 11.108,1187 3.117,1188 1.885,1189 1.868,1190 1.932,1191 2.009,1192 1.12,1193 1.988,1194 1.804,1195 1.777,1196 1.832,1197 1.937,1198 1,1199 1.922,1200 1.471,1201 1.437,1202 1.608,1203 1.689,1204 0.627,1205 1.675,1206 1.03,1207 0.984,1208 1.267,1209 1.37,1210 0.206,1211 1.351,1212 0.957,1213 0.873,1214 1.203,1215 1.356,1216 0.105,1217 1.315,1218 0.849,1219 0.827,1220 1.052,1221 1.107,1223 1.108,1224 0.818,1225 0.737,1226 1,1227 0.962,1229 1.004,1230 0.592,1231 0.505,1232 0.773,1233 0.801,1235 0.838,1236 3.892,1238 5.242,1239 2.398,1240 6.777,1241 4.727,1242 8.403,1243 6.843,1244 10.078,1247 17.889,1250 11.388,1252 0.415,1253 3.16,1262 23.412,1263 62.31,1264 126.126,1265 139.245,1266 146,1267 146,1268 146,1269 35.055,1270 6.917,1271 102.99,1272 102.99,1273 17,1274 12.377,1275 4.087,1276 3.17,1277 34.61,1278 75,1279 62,1280 0.233,1281 155.765,1282 254.62,1283 371.827,1284 8627,1285 9.4,1286 15.853,1287 0.721,1288 0.604,1289 17.353,1290 13.298,1291 10.452,1292 0.436,1293 0.303,1294 6.12,1295 9.233,1296 5.92,1297 4.852,1298 11.318,1299 7.263,1300 9.957,1301 0.284,1302 0.163,1303 11.032,1304 5.708,1305 8.284,1306 0.18,1307 0.092,1308 9.782,1309 4.219,1310 6.967,1311 0.116,1312 0.044,1313 7.813,1314 2.628,1315 4.911,1316 0.072,1317 0.022,1318 5.396,1319 1.516,1320 0.364,1321 74.997,1322 0.255,1323 21.6,1324 0.643,1325 118,1326 400.593,1327 176.316,1328 479.215,1329 623.45,1330 442,1331 140,1332 395.966,1333 196.181,1334 429.349,1335 632.27,1336 402,1337 4.591}
{0 CHEMBL172353,1 1.577,2 10.24,3 2.83,4 8.006,5 98.075,6 7.03,7 0.444,8 3.991,9 4.117,10 3.499,11 3.435,12 5.102,13 3.431,14 4.532,15 4.716,16 3.839,17 3.824,18 5.559,19 3.795,20 4.696,21 4.882,22 3.95,23 3.984,24 5.696,25 3.932,26 4.826,27 5.024,28 3.953,29 4.045,30 5.836,31 3.966,32 4.981,33 5.222,34 3.696,35 4.022,36 5.893,37 3.902,38 4.872,39 5.138,40 3.489,41 3.925,42 5.671,43 3.76,44 4.778,45 5.079,46 3.477,47 3.785,48 5.527,49 3.626,50 4.598,51 4.873,52 3.512,53 3.594,54 5.472,55 3.514,56 0.058,57 0.706,58 11.206,59 4.292,60 12.413,61 5.924,62 0.358,63 1.07,64 21.05,65 7.498,66 32.505,67 10.119,68 0.403,69 1.284,70 24.37,71 8.435,72 28.931,73 12.229,74 0.331,75 1.403,76 27.85,77 9.831,78 37.191,79 14.197,80 0.685,81 1.424,82 35.036,83 9.796,84 63.606,85 14.671,86 0.481,87 1.255,88 31.229,89 10.045,90 47.342,91 14.932,92 0.323,93 1.11,94 28.67,95 9.211,96 37.34,97 14.211,98 0.342,99 0.935,100 24.075,101 6.668,102 33.897,103 10.373,104 35,105 38,106 0.27,107 0.573,108 0.718,109 0.762,110 0.786,111 0.815,112 3.267,113 0.92,114 -3.48,115 -3.46,116 -3.3,119 36.7,121 4,122 1,124 3,139 2,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 5,172 3,173 3,175 1,178 10,180 1,181 2,182 7,187 1,189 6,191 1,192 1,193 9,195 1,196 1,197 1,198 5,200 2,201 5,204 5,205 1,207 5,212 3,215 5,218 3,221 5,226 2,229 2,231 2,234 9,239 3,243 3,246 4,251 1,256 1,259 4,260 1,262 2,263 2,265 2,270 2,273 823,274 16.989,275 16.989,276 16.989,277 16.989,278 16.989,279 15.46,280 25.204,281 9.751,282 17.677,283 13.119,284 13.119,285 13.119,286 13.119,287 13.119,288 10.56,289 30.13,290 4.322,291 13.947,292 4.038,293 2.272,294 1.429,295 1.169,296 1.031,297 0.863,298 3.945,300 1,301 1,302 1,303 539,304 3.082,306 55.623,307 150.606,310 104.171,314 1.37,315 23.839,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 55,327 256,328 4.49,329 3.407,330 6.78,331 4.166,332 3.189,333 4.138,334 0.86,335 11.108,336 3.121,337 4.419,338 3.373,339 6.523,340 4.007,341 3.059,342 4.103,343 0.86,344 10.257,345 2.895,346 3.636,347 2.608,348 5.358,349 3.333,350 2.378,351 2.929,352 0.86,353 6.893,354 2.274,355 3.538,356 2.555,357 5.241,358 3.18,359 2.223,360 2.854,362 6.553,363 2.11,364 3.355,365 2.434,366 5.19,367 2.972,368 2.061,369 2.604,371 6.118,372 1.867,373 3.299,374 2.21,375 5.063,376 2.923,377 1.98,378 2.549,380 5.79,381 1.866,382 2.896,383 1.973,384 4.756,385 2.678,386 1.714,387 1.942,389 4.964,390 1.646,391 2.222,392 1.843,393 3.809,394 2.008,395 1.167,396 1.209,398 2.511,399 0.977,400 1.958,401 1.061,402 3.589,403 1.835,404 0.859,405 0.921,407 2.102,408 0.835,409 1.707,410 0.988,411 3.193,412 1.567,413 0.605,414 0.649,415 1.388,416 0.578,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.392,426 0.721,427 2.687,428 1.148,429 0.301,430 0.321,431 0.39,432 0.253,433 1.062,434 0.146,435 2.527,436 0.723,437 -0.212,438 -0.253,439 -0.507,440 -0.197,441 0.877,442 -0.113,443 2.469,444 0.532,445 -0.396,446 -0.474,448 -0.862,449 -0.363,450 0.699,451 -0.302,452 2.294,453 0.382,454 -0.532,455 -0.623,457 -1.228,458 -0.482,459 11.6,460 0.464,461 0.606,462 0.024,463 31,464 1.24,465 14.5,466 0.58,467 16.5,468 0.66,469 21.835,470 0.873,471 28.6,472 0.584,473 22.276,474 0.891,475 6.045,476 0.242,477 6.021,478 0.241,479 0.198,481 0.388,485 0.985,486 1.376,487 0.863,488 1.225,489 1.111,490 1.039,491 1.163,492 0.838,493 0.831,494 0.85,495 0.742,496 0.809,497 0.774,498 1.203,499 0.922,500 1.128,501 0.782,502 1.056,503 0.758,504 1.353,505 1.021,506 1.381,507 0.749,508 1.271,509 1.542,510 0.923,511 1.387,512 1.006,513 1.562,514 1.142,515 1.026,516 0.937,517 1.143,518 1.048,519 1.04,520 1.116,521 0.604,522 0.913,523 0.721,524 0.91,525 0.587,526 0.854,527 1.091,528 0.895,529 0.79,530 0.814,531 1.021,532 0.751,533 5.5,534 0.144,535 2.889,536 2.472,537 1.854,538 0.67,539 0.416,540 0.255,541 0.368,542 0.272,543 6746,544 18368,545 2.015,546 49,547 7,548 11,551 4,552 2,555 1.68,556 1.852,557 3.298,558 1.776,559 1,560 1,564 77.268,565 1.577,566 3.343,567 4.185,568 4.446,569 4.583,570 4.752,571 2.679,572 4.134,573 4.62,574 3.447,575 1034.21,576 7.985,577 12567.7,579 1,581 1,582 275.121,583 1.516,584 4.555,585 0.204,586 0.008,587 0.076,588 0.06,589 0.048,590 0.024,591 0.018,592 0.011,593 0.015,594 0.011,595 0.475,596 0.17,597 1,598 1.017,599 120.476,600 -0.088,601 -0.082,602 0.044,603 -0.054,604 -0.123,605 0.019,606 -0.033,607 0.258,608 0.14,609 0.23,610 0.157,611 0.207,612 0.123,613 -0.065,614 0.013,615 -0.042,616 0.035,617 -0.029,618 0.09,619 -0.256,620 -0.091,621 -0.304,622 0.109,623 -0.242,624 -0.342,625 0.061,626 -0.38,627 -0.06,628 -0.406,629 -0.201,630 -0.145,631 -0.018,632 -0.18,633 -0.051,634 -0.205,635 -0.115,636 0.077,637 -0.063,638 0.233,639 0.074,640 0.12,641 0.166,642 -0.05,643 0.002,644 0.217,645 0.118,646 -0.03,647 0.21,648 1.415,649 2.074,650 0.6,651 19.59,652 1.005,653 1.138,654 2.248,655 5.051,656 0.633,657 3.332,658 3.664,659 3.97,660 4.263,661 4.394,662 4.431,663 4.454,664 4.511,665 4.585,666 4.663,667 6.043,668 0.602,669 344.46,670 3.332,671 4.875,672 5.74,673 6.635,674 7.514,675 8.412,676 9.295,677 10.193,678 11.078,679 11.976,680 8.2,684 2,690 2,695 2,696 2,700 8,702 12,711 2,716 3,718 49,719 12,720 1,721 27,723 51,724 18,725 10,726 4,727 2,729 3,730 4,736 2,737 1,739 4,741 10,742 8,743 1,753 1,754 1,757 24,758 7,759 4,760 7,764 4,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,806 3,810 25,811 2,816 4,818 3,820 1,829 6.1,834 3,836 13.5,837 9.567,838 5.722,839 2.742,840 2.275,841 1.317,842 0.955,843 5.421,844 9.445,845 3.526,846 4.127,847 4.705,848 5.254,849 5.69,850 5.83,851 5.889,852 6.017,853 6.219,854 6.539,855 0.857,856 41,857 9.196,859 3.8,860 7.707,861 17.623,863 14.214,865 2.207,866 55.167,869 1,870 235.422,871 90.825,872 99.365,874 33,877 90.825,878 268.422,879 99.365,880 32.649,881 10.138,882 84.747,883 33.571,884 57.858,885 4.227,886 235.422,888 235.422,889 190.19,890 33,893 235.422,894 33,897 14.794,898 141.825,899 33.571,901 235.422,902 132.365,903 90.825,906 235.422,907 39.223,908 51.602,910 132.365,911 235.422,912 132.365,913 90.825,915 0.575,916 0.362,917 0.211,918 0.106,919 18,920 9,921 0.118,922 6,923 1,924 1.133,925 3.598,926 205.35,927 0.133,928 15,929 108.096,933 17.924,934 7.561,935 3.564,937 132.365,938 3.972,939 8.443,943 5.863,945 65.794,946 458.612,947 33,956 49.225,957 55.773,958 0.281,959 0.595,960 0.745,961 0.792,962 0.816,963 0.846,964 4.779,965 1.167,966 5.74,967 4.964,968 4.344,969 4.812,970 1.693,971 6.589,972 4.239,973 5.988,974 0.859,975 7.324,976 2.511,977 4.007,978 4.745,980 7.576,981 3.872,982 7.311,983 0.605,984 9.007,985 2.102,986 5.974,987 7.019,988 1.454,989 10.683,990 5.797,991 8.671,992 0.396,993 10.746,994 1.388,995 6.447,996 7.731,998 12.494,999 6.239,1000 10.062,1001 0.301,1002 12.523,1003 0.603,1004 7.894,1005 9.522,1006 1.232,1007 15.13,1008 7.659,1009 11.474,1010 -0.212,1011 14.326,1012 0.39,1013 8.74,1014 10.59,1016 17.286,1017 8.472,1018 12.903,1019 -0.396,1020 16.148,1021 -0.507,1022 9.992,1023 12.187,1024 1.028,1025 19.763,1026 9.701,1027 3.189,1028 -0.532,1029 17.986,1030 -0.862,1031 11.007,1032 13.429,1034 22.058,1035 10.685,1036 3.059,1037 11.108,1038 19.837,1039 -1.228,1040 12.188,1041 14.936,1042 0.845,1043 24.478,1044 11.842,1045 2.378,1046 10.257,1047 21.698,1048 4.138,1049 13.277,1050 16.264,1052 26.829,1053 12.902,1054 2.223,1055 6.893,1056 23.567,1057 4.103,1058 14.432,1059 17.727,1060 0.684,1061 29.228,1062 14.034,1063 2.061,1064 6.553,1065 25.442,1066 2.929,1067 15.553,1068 19.098,1070 31.601,1071 15.127,1072 1.98,1073 6.118,1074 27.323,1075 2.854,1076 16.7,1077 20.54,1078 0.546,1079 33.994,1080 16.25,1081 1.714,1082 5.79,1083 29.208,1084 2.604,1085 17.835,1086 21.933,1088 36.378,1089 17.359,1090 6688,1091 11126,1092 17.512,1093 31,1094 39.64,1095 41.067,1096 42.795,1097 39.772,1098 39.866,1099 49.344,1100 5.16,1101 117.353,1102 37.53,1103 5.416,1104 5.407,1105 6.323,1106 5.237,1107 5.189,1108 7.138,1109 1.72,1110 18.028,1111 5.121,1112 14.412,1113 1.468,1114 1.521,1115 1.585,1116 1.473,1117 1.477,1118 1.828,1119 0.191,1120 4.346,1121 1.39,1122 4.035,1123 4.074,1124 3.98,1125 3.934,1126 5.283,1127 3.939,1128 3.921,1129 3.937,1130 3.884,1131 3.819,1132 4.979,1133 3.83,1134 3.522,1135 3.59,1136 3.414,1137 3.326,1138 4.97,1139 3.34,1140 3.338,1141 3.406,1142 3.195,1143 3.131,1144 4.58,1145 3.139,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.478,1151 3.026,1152 3.214,1153 3.291,1154 2.994,1155 2.919,1156 4.461,1157 2.919,1158 3.121,1159 3.223,1160 2.959,1161 2.878,1162 4.226,1163 2.873,1164 3.055,1165 3.168,1166 2.841,1167 2.757,1168 3.961,1169 2.775,1170 0.166,1171 0.126,1172 0.251,1173 0.154,1174 0.118,1175 4.49,1176 0.153,1177 3.407,1178 0.032,1179 6.78,1180 0.411,1181 4.166,1182 0.116,1183 3.189,1184 4.138,1185 0.86,1186 11.108,1187 3.121,1188 1.919,1189 1.902,1190 2.035,1191 2.032,1192 1.365,1193 2.029,1194 1.783,1195 1.747,1196 1.863,1197 1.96,1198 1.117,1199 1.928,1200 1.627,1201 1.573,1202 1.827,1203 1.797,1204 1.022,1205 1.816,1206 1.316,1207 1.256,1208 1.606,1209 1.56,1210 0.736,1211 1.58,1212 1.227,1213 1.163,1214 1.59,1215 1.558,1216 0.584,1217 1.565,1218 1.171,1219 1.085,1220 1.567,1221 1.503,1222 0.57,1223 1.524,1224 1.117,1225 1.028,1226 1.464,1227 1.395,1228 0.542,1229 1.419,1230 0.983,1231 0.883,1232 1.275,1233 1.35,1234 0.22,1235 1.347,1236 4.007,1238 5.333,1239 2.398,1240 6.862,1241 4.727,1242 8.491,1243 6.843,1244 10.173,1246 4.845,1250 11.765,1252 3.724,1254 16.211,1256 0.342,1262 29.498,1263 77.268,1264 163.797,1265 205.082,1266 217.837,1267 224.591,1268 232.856,1269 41.365,1270 7.17,1271 105.51,1272 105.51,1273 17,1274 12.502,1275 3.7,1276 2.807,1277 41.836,1278 93,1279 81,1280 0.227,1281 182.854,1282 315.61,1283 437.924,1284 11816,1286 17.974,1287 0.719,1288 0.593,1289 17.974,1290 14.834,1291 12.066,1292 0.447,1293 0.307,1294 8.102,1295 11.41,1296 7.829,1297 6.536,1298 12.066,1299 8.276,1300 10.552,1301 0.278,1302 0.161,1303 10.552,1304 6.135,1305 9.082,1306 0.175,1307 0.091,1308 9.082,1309 4.715,1310 8.122,1311 0.116,1312 0.051,1313 8.122,1314 3.555,1315 6.009,1316 0.075,1317 0.029,1318 6.009,1319 2.343,1320 0.354,1321 77.138,1322 0.239,1323 24.119,1324 0.623,1325 130,1326 395.121,1327 145.019,1328 371.584,1329 509.7,1330 350,1331 155,1332 374.96,1333 170.185,1334 381.671,1335 555.77,1336 354,1337 6.292}
{0 CHEMBL172808,1 1.636,2 14.771,3 2.867,4 8.22,5 132.266,6 7.703,7 0.474,8 4.235,9 4.348,10 3.817,11 3.713,12 5.42,13 3.723,14 4.756,15 4.917,16 4.168,17 4.086,18 5.905,19 4.079,20 4.946,21 5.111,22 4.29,23 4.222,24 6.117,25 4.207,26 5.068,27 5.255,28 4.237,29 4.228,30 6.311,31 4.191,32 5.09,33 5.285,34 4.093,35 4.202,36 6.177,37 4.145,38 5.046,39 5.244,40 4.003,41 4.185,42 6.067,43 4.1,44 5.106,45 5.357,46 4.022,47 4.13,48 6.131,49 4.022,50 4.965,51 5.208,52 3.924,53 4.027,54 5.943,55 3.932,56 0.123,57 0.91,58 12.146,59 5.347,60 16.827,61 6.696,62 0.548,63 1.386,64 23.895,65 9.07,66 42.457,67 11.477,68 0.594,69 1.617,70 28.993,71 10.748,72 48.31,73 14.009,74 0.839,75 1.715,76 34.729,77 11.768,78 112.085,79 15.354,80 0.96,81 1.652,82 37.379,83 12.003,84 97.793,85 15.244,86 0.703,87 1.633,88 34.541,89 12.091,90 80.922,91 15.768,92 1.065,93 1.61,94 40.348,95 13.17,96 104.142,97 18.859,98 0.752,99 1.468,100 33.974,101 11.073,102 62.882,103 15.874,104 41,105 53,106 0.262,107 0.61,108 0.77,109 0.815,110 0.815,111 0.815,112 3.588,113 0.878,114 -3.23,115 -3.22,116 -3.09,119 40.3,121 3,124 2,125 2,139 6,140 4,141 3,142 1,144 1,147 1,153 2,157 2,158 2,159 2,166 11,169 3,170 10,172 3,173 3,175 1,178 10,180 1,181 2,182 14,187 1,189 5,191 1,192 2,193 15,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,206 1,207 13,212 3,215 6,218 3,221 3,226 1,229 7,231 1,233 6,234 2,236 2,237 2,239 2,241 4,243 2,245 4,246 4,248 1,249 1,254 2,260 3,262 2,263 2,268 1,273 2429,274 23.723,275 23.723,276 23.723,277 23.723,278 23.723,279 21.284,280 31.174,281 13.897,282 24.435,283 18.593,284 18.593,285 18.593,286 18.593,287 18.593,288 14.682,289 38.971,290 6.389,291 19.515,292 4.318,293 2.14,294 1.145,295 0.863,296 0.863,297 0.863,298 4.281,302 1,303 1113,304 3.742,306 90.362,307 378.15,310 173.944,314 2.477,315 46.037,318 1,319 0.5,320 0.83,321 1,322 0.5,323 0.83,324 0.5,325 0.74,326 77.5,327 517,328 4.585,329 3.952,330 6.964,331 4.291,332 3.301,333 4.146,334 1.349,335 11.689,336 3.262,337 4.431,338 3.395,339 6.53,340 4.027,341 3.077,342 4.114,343 0.86,344 10.305,345 2.928,346 4.229,347 3.256,348 6.088,349 3.81,350 2.857,351 3.875,352 0.86,353 8.844,354 2.721,355 3.603,356 3.079,357 5.685,358 3.238,359 2.286,360 2.936,361 0.86,362 7.258,363 2.173,364 3.54,365 2.555,366 5.491,367 3.207,368 2.243,369 2.812,370 0.8,371 6.733,372 2.156,373 3.441,374 2.55,375 5.284,376 3.066,377 2.061,378 2.665,379 0.68,380 6.426,381 2.093,382 3.365,383 2.435,384 5.19,385 2.972,386 2.026,387 2.65,389 6.118,390 1.872,391 3.355,392 2.237,393 4.922,394 2.944,395 2.007,396 2.604,398 5.656,399 1.867,400 2.859,401 2.095,402 4.155,403 2.672,404 1.705,405 1.961,407 3.736,408 1.648,409 2.823,410 1.92,411 3.956,412 2.378,413 1.427,414 1.95,415 3.551,416 1.359,417 2.687,418 1.55,419 3.758,420 2.341,421 1.384,422 1.699,423 3.059,424 1.315,425 2.48,426 1.46,427 3.618,428 2.031,429 1.126,430 1.387,431 2.579,432 1.004,433 2.263,434 1.35,435 3.585,436 1.942,437 0.914,438 1.215,439 2.21,440 0.934,441 1.908,442 1.261,443 3.236,444 1.631,445 0.699,446 0.774,448 1.487,449 0.639,450 1.618,451 0.99,452 3.003,453 1.333,454 0.402,455 0.472,457 0.886,458 0.373,459 16.167,460 0.462,461 0.836,462 0.024,463 46.75,464 1.336,465 23.5,466 0.671,467 23.25,468 0.664,469 29.583,470 0.845,471 38.433,472 0.62,473 39.362,474 1.125,475 9.474,476 0.271,477 7.448,478 0.213,479 0.153,481 0.365,485 0.856,486 1.34,487 0.767,488 1.144,489 0.729,490 0.958,491 0.977,492 0.877,493 0.81,494 0.876,495 0.637,496 0.826,497 0.936,498 1.172,499 0.869,500 1.111,501 0.87,502 0.994,503 1.141,504 1.063,505 1.081,506 1.132,507 1.175,508 1.098,509 1.575,510 0.923,511 1.275,512 0.978,513 1.344,514 1.06,515 1.28,516 1.154,517 1.291,518 1.241,519 1.095,520 1.276,521 0.677,522 0.906,523 0.846,524 0.975,525 0.568,526 0.969,527 0.775,528 1.035,529 0.907,530 1.037,531 0.483,532 1.02,533 6.5,534 0.32,535 4.222,536 3.799,537 2.08,538 1.07,539 0.76,540 0.451,541 0.334,542 0.382,543 20025,544 59174,545 2.041,546 43.5,547 2,548 16,550 1,551 4,553 4,555 1.763,556 1.892,557 3.774,558 1.548,564 101.463,565 1.636,566 3.814,567 4.809,568 5.091,569 5.091,570 5.091,571 3.2,572 4.615,573 5.103,574 4.03,575 2397.6,576 8.935,577 39465.7,582 369.16,583 1.472,584 5.05,585 0.171,586 0.008,587 0.08,588 0.065,589 0.04,590 0.024,591 0.019,592 0.011,593 0.009,594 0.011,595 0.438,596 0.17,597 0.75,598 0.819,599 192.948,600 -0.088,601 -0.12,602 0.038,603 -0.057,604 -0.093,605 0.013,606 0.015,607 0.217,608 0.102,609 0.156,610 0.05,611 0.141,612 0.04,613 -0.111,614 0.05,615 -0.077,616 0.011,617 -0.015,618 -0.031,619 -0.051,620 -0.111,621 -0.14,622 0.034,623 -0.138,624 -0.299,625 0.025,626 -0.264,627 0.008,628 -0.228,629 -0.103,630 -0.227,631 -0.186,632 -0.322,633 -0.227,634 -0.212,635 -0.288,636 0.272,637 -0.037,638 0.185,639 0.019,640 0.17,641 0.063,642 0.124,643 -0.118,644 0.1,645 -0.049,646 0.08,647 -0.001,648 1.919,649 5.479,650 0.6,651 41.337,652 1.014,653 1.131,654 1.997,655 3.989,656 0.656,657 3.664,658 3.989,659 4.29,660 4.554,661 4.736,662 4.718,663 4.779,664 4.82,665 4.836,666 4.875,667 8.705,668 0.637,669 477.57,670 3.664,671 5.209,672 6.071,673 6.956,674 7.834,675 8.724,676 9.608,677 10.5,678 11.388,679 12.281,680 8.1,684 2,687 1,690 2,695 7,696 2,700 9,702 18,711 2,716 3,718 62,719 20,720 2,721 38,723 65,724 25,725 16,726 6,727 6,728 2,729 4,730 5,739 3,741 18,742 7,744 2,748 2,751 2,757 27,758 10,759 4,760 10,764 5,767 1,769 0.75,770 5,776 1,780 1,781 3,784 1,802 3,806 2,810 35,811 2,816 5,818 3,821 1,829 8.1,832 2,834 3,836 18.5,837 11.683,838 7.889,839 3.5,840 3.251,841 1.408,842 0.973,843 7.733,844 11.223,845 3.912,846 4.494,847 5.07,848 5.605,849 6.085,850 6.179,851 6.416,852 6.652,853 6.914,854 7.077,855 0.9,856 58,857 12.951,859 5.51,860 7.91,861 24.188,863 19.416,865 2.41,866 84.333,870 270.735,871 144.082,872 102.49,874 83.29,877 144.082,878 354.025,879 102.49,880 21.766,881 17.426,882 122.652,883 105.041,884 70.52,885 4.227,886 258.964,888 270.735,889 246.571,890 83.29,893 223.651,894 130.374,897 28.373,898 184.628,899 33.571,901 270.735,902 185.779,903 144.082,906 270.735,907 56.411,908 90.795,910 182.655,911 270.735,912 185.779,913 144.082,915 0.577,916 0.356,917 0.2,918 0.107,919 24,920 12,921 0.154,922 10,923 1,924 1.095,925 4.565,926 320.293,927 0.095,928 21,929 161.525,933 24.764,934 10.93,935 5.338,937 185.779,938 12.136,939 7.992,943 4.431,945 65.794,946 600.596,947 49,951 24.958,954 -0.504,956 62.865,957 70.106,958 0.275,959 0.641,960 0.808,961 0.855,962 0.855,963 0.855,964 5.156,965 2.007,966 6.061,967 6.118,968 4.673,969 5.182,970 2.413,971 6.899,972 4.59,973 6.361,974 1.705,975 7.641,976 5.656,977 4.29,978 5.027,979 0.325,980 7.863,981 4.189,982 7.674,983 1.427,984 9.322,985 3.736,986 6.29,987 7.359,988 2.426,989 10.992,990 6.144,991 9.025,992 1.384,993 11.065,994 3.551,995 6.746,996 8.009,997 0.931,998 12.803,999 6.583,1000 10.409,1001 1.126,1002 12.846,1003 3.059,1004 8.215,1005 9.833,1006 2.612,1007 15.461,1008 8.02,1009 11.818,1010 0.914,1011 14.654,1012 2.579,1013 9.062,1014 10.859,1015 1.621,1016 17.631,1017 8.852,1018 13.245,1019 0.699,1020 16.483,1021 2.21,1022 10.331,1023 12.472,1024 2.943,1025 20.135,1026 10.097,1027 3.301,1028 0.402,1029 18.327,1030 1.487,1031 11.358,1032 13.683,1033 2.316,1034 22.459,1035 11.11,1036 3.077,1037 11.689,1038 20.184,1039 0.886,1040 12.554,1041 15.196,1042 3.374,1043 24.913,1044 12.288,1045 2.857,1046 10.305,1047 22.051,1048 4.146,1049 13.66,1050 16.502,1051 2.996,1052 27.302,1053 13.381,1054 2.286,1055 8.844,1056 23.927,1057 4.114,1058 14.833,1059 17.966,1060 3.867,1061 29.742,1062 14.54,1063 2.243,1064 7.258,1065 25.811,1066 3.875,1067 15.973,1068 19.32,1069 3.659,1070 32.161,1071 15.669,1072 2.061,1073 6.733,1074 27.701,1075 2.936,1076 17.141,1077 20.759,1078 4.396,1079 34.6,1080 16.825,1081 2.026,1082 6.426,1083 29.596,1084 2.812,1085 18.298,1086 22.139,1087 4.307,1088 37.033,1089 17.972,1090 19038,1091 32886,1092 24.967,1093 40.676,1094 56.633,1095 59.439,1096 59.387,1097 56.164,1098 56.233,1099 71.911,1100 10.818,1101 163.108,1102 53.757,1103 5.549,1104 5.952,1105 6.723,1106 5.361,1107 5.301,1108 7.146,1109 2.549,1110 18.826,1111 5.262,1112 19.952,1113 1.49,1114 1.564,1115 1.563,1116 1.478,1117 1.48,1118 1.892,1119 0.285,1120 4.292,1121 1.415,1122 4.034,1123 4.056,1124 3.996,1125 3.937,1126 7.447,1127 3.946,1128 3.977,1129 4,1130 3.939,1131 3.885,1132 7.408,1133 3.894,1134 3.816,1135 3.856,1136 3.783,1137 3.648,1138 5.291,1139 3.676,1140 3.66,1141 3.721,1142 3.52,1143 3.521,1144 4.982,1145 3.51,1146 3.41,1147 3.454,1148 3.315,1149 3.208,1150 4.957,1151 3.23,1152 3.303,1153 3.355,1154 3.153,1155 3.052,1156 4.687,1157 3.071,1158 3.277,1159 3.344,1160 3.144,1161 3.006,1162 4.58,1163 3.026,1164 3.118,1165 3.213,1166 2.973,1167 2.859,1168 4.457,1169 2.858,1170 0.121,1171 0.104,1172 0.183,1173 0.113,1174 0.087,1175 4.585,1176 0.109,1177 3.952,1178 0.035,1179 6.964,1180 0.308,1181 4.291,1182 0.086,1183 3.301,1184 4.146,1185 1.349,1186 11.689,1187 3.262,1188 1.929,1189 1.912,1190 2.019,1191 2.052,1192 1.282,1193 2.039,1194 1.887,1195 1.868,1196 1.986,1197 1.959,1198 1.205,1199 1.968,1200 1.738,1201 1.697,1202 1.939,1203 1.939,1204 1.085,1205 1.926,1206 1.684,1207 1.627,1208 1.801,1209 1.878,1210 0.873,1211 1.87,1212 1.354,1213 1.315,1214 1.59,1215 1.623,1216 0.78,1217 1.595,1218 1.227,1219 1.163,1220 1.552,1221 1.558,1222 0.584,1223 1.565,1224 1.215,1225 1.15,1226 1.551,1227 1.506,1228 0.561,1229 1.52,1230 1.072,1231 0.994,1232 1.342,1233 1.383,1234 0.369,1235 1.381,1236 4.344,1238 5.666,1239 2.398,1240 7.189,1241 4.949,1242 8.807,1243 7.195,1244 10.475,1246 3.1,1250 11.532,1252 2.368,1254 17.036,1257 1.285,1262 39.476,1263 101.463,1264 236.489,1265 298.141,1266 315.65,1267 315.65,1268 315.65,1269 81.119,1270 7.972,1271 144.58,1272 144.58,1273 23,1274 12.809,1275 4.392,1276 3.585,1277 59.845,1278 183,1279 173,1280 0.154,1281 242.757,1282 428.83,1283 584.086,1284 37694,1286 24.949,1287 0.713,1288 0.56,1289 24.949,1290 19.615,1291 16.922,1292 0.445,1293 0.293,1294 10.903,1295 16.062,1296 10.637,1297 8.837,1298 16.922,1299 11.123,1300 14.861,1301 0.28,1302 0.151,1303 14.861,1304 8.008,1305 12.928,1306 0.18,1307 0.08,1308 12.928,1309 5.732,1310 10.866,1311 0.116,1312 0.042,1313 10.866,1314 3.957,1315 8.608,1316 0.076,1317 0.024,1318 8.608,1319 2.708,1320 0.25,1321 107.804,1322 0.2,1323 32.818,1324 0.4,1325 182,1326 606.237,1327 204.527,1328 571.007,1329 772.27,1330 534,1331 216,1332 560.311,1333 239.331,1334 565.635,1335 829.62,1336 528,1337 4.268}
{0 CHEMBL17287,1 1.727,2 13.939,3 0.855,4 0.73,5 122.281,6 7.854,7 0.457,8 4.171,9 4.298,10 3.743,11 3.595,12 5.433,13 3.619,14 4.665,15 4.842,16 4.125,17 3.985,18 6.002,19 3.984,20 4.913,21 5.091,22 4.207,23 4.163,24 6.124,25 4.142,26 5.093,27 5.295,28 4.234,29 4.231,30 6.335,31 4.19,32 5.156,33 5.379,34 4.134,35 4.217,36 6.461,37 4.148,38 5.071,39 5.319,40 4.105,41 4.14,42 6.4,43 4.058,44 4.915,45 5.127,46 3.958,47 3.977,48 6.294,49 3.928,50 4.794,51 5.047,52 3.756,53 3.813,54 5.955,55 3.757,56 0.223,57 0.892,58 11.356,59 4.278,60 31.551,61 5.778,62 0.639,63 1.349,64 21.031,65 7.32,66 83.572,67 10.255,68 0.676,69 1.61,70 27.567,71 9.148,72 86.431,73 12.892,74 0.936,75 1.745,76 35.457,77 11.258,78 129.011,79 15.593,80 1.329,81 1.706,82 40.25,83 11.471,84 194.519,85 16.375,86 1.092,87 1.542,88 38.044,89 11.873,90 165.254,91 17.739,92 0.997,93 1.349,94 31.237,95 8.829,96 158.638,97 12.625,98 0.779,99 1.179,100 29.159,101 7.193,102 95.302,103 11.203,104 91,105 50,106 0.281,107 0.678,108 0.814,109 0.853,110 0.875,111 0.875,112 3.531,113 0.857,114 -3.04,115 -3.04,116 -2.93,119 36.2,121 2,124 2,125 1,127 1,139 4,140 3,141 1,144 1,147 1,148 1,153 3,155 1,157 2,158 2,159 2,161 2,165 2,166 6,167 1,169 2,170 9,171 1,172 3,173 6,175 4,178 4,179 2,180 1,181 1,182 12,185 1,187 3,189 2,190 1,191 1,193 7,194 2,195 1,196 3,197 3,198 2,200 4,201 3,202 1,203 1,204 1,205 1,206 4,207 2,208 2,209 1,210 3,212 2,213 2,215 7,216 2,218 1,220 3,221 2,222 1,224 2,225 1,226 4,229 7,230 3,233 1,234 7,236 1,237 2,239 7,241 3,242 2,243 2,246 9,247 1,251 5,255 2,256 2,259 1,260 7,263 1,265 5,270 3,273 1850,274 21.275,275 21.275,276 21.275,277 21.275,278 21.275,279 18.893,280 27.232,281 12.216,282 21.701,283 17.175,284 17.175,285 17.175,286 17.175,287 17.175,288 13.463,289 35.274,290 5.73,291 17.843,292 4.131,293 1.691,294 0.854,295 0.612,296 0.474,297 0.474,298 4.204,301 1,303 956,304 4.95,306 88.05,307 228.551,310 163.188,314 2.195,315 53.026,318 0.5,319 0.5,320 0.5,321 0.8,323 0.5,324 0.5,325 0.47,326 74.5,327 460,328 4.641,329 3.866,330 6.786,331 4.164,332 3.198,333 4.609,334 2.377,335 11.135,336 3.093,337 4.315,338 3.597,339 6.628,340 4.063,341 3.09,342 3.824,343 2.341,344 10.354,345 3.003,346 4.041,347 3.566,348 6.058,349 3.757,350 2.8,351 3.325,352 1.203,353 8.676,354 2.689,355 3.806,356 3.307,357 5.907,358 3.533,359 2.547,360 3.152,361 0.916,362 8.045,363 2.488,364 3.682,365 3.005,366 5.3,367 3.237,368 2.301,369 3.003,370 0.34,371 6.666,372 2.165,373 3.526,374 2.475,375 5.063,376 3.182,377 2.178,378 2.788,379 0.172,380 5.791,381 2.141,382 3.406,383 2.407,384 4.868,385 2.9,386 1.98,387 2.689,389 5.212,390 1.819,391 3.18,392 2.099,393 4.768,394 2.821,395 1.856,396 2.32,398 5.1,399 1.776,400 3.018,401 2.063,402 4.643,403 2.635,404 1.673,405 2.159,407 4.772,408 1.6,409 2.591,410 1.85,411 4.087,412 2.243,413 1.266,414 1.546,415 3.284,416 1.224,417 2.5,418 1.377,419 3.745,420 2.039,421 1.052,422 1.5,423 2.565,424 1.028,425 2.387,426 1.314,427 3.587,428 2,429 1,430 1.295,431 2.275,432 1,433 2.246,434 1,435 3.414,436 1.747,437 0.819,438 1.148,439 2.07,440 0.758,441 1.913,442 0.872,443 3.208,444 1.607,445 0.584,446 0.719,448 1.36,449 0.588,450 1.181,451 0.861,452 2.789,453 0.911,454 -0.071,455 -0.079,457 -0.172,458 -0.068,459 14.967,460 0.454,461 1.094,462 0.033,463 42.25,464 1.28,465 20,466 0.606,467 22.25,468 0.674,469 28.159,470 0.853,471 37.233,472 0.642,473 38.644,474 1.171,475 8.739,476 0.265,477 6.839,478 0.207,479 0.232,481 0.421,485 0.919,486 1.483,487 0.804,488 1.107,489 0.803,490 0.939,491 0.525,492 0.995,493 0.712,494 0.921,495 0.398,496 0.858,497 0.947,498 1.309,499 1.004,500 1.176,501 0.916,502 1.114,503 1.05,504 1.091,505 1.079,506 1.165,507 1.072,508 1.145,509 1.071,510 0.841,511 1.182,512 0.992,513 1.119,514 1.096,515 0.522,516 0.939,517 0.741,518 1.017,519 0.517,520 0.952,521 1.152,522 1.058,523 1.137,524 1.071,525 1.122,526 1.1,527 1.129,528 0.907,529 1.024,530 0.822,531 0.998,532 0.87,533 8,534 0.21,535 4.667,536 3.222,537 2.067,538 1.584,539 0.761,540 0.53,541 0.379,542 0.314,543 15350,544 53606,545 1.942,546 43.1,548 13,549 1,551 7,552 2,553 2,555 1.749,556 1.752,557 3.717,558 4.102,560 1,564 100.167,565 1.727,566 4.167,567 5.004,568 5.246,569 5.384,570 5.384,571 3.222,572 4.476,573 5.017,574 3.93,575 2074.98,576 8.766,577 32118.6,582 339.763,583 1.569,584 4.932,585 0.229,586 0.008,587 0.093,588 0.061,589 0.04,590 0.035,591 0.017,592 0.014,593 0.012,594 0.011,595 0.519,596 0.17,597 0.88,598 1.673,599 177.662,600 -0.177,601 -0.174,602 -0.014,603 0.018,604 -0.145,605 0.045,606 0.211,607 0.206,608 0.147,609 0.14,610 0.221,611 0.131,612 -0.113,613 -0.176,614 -0.121,615 -0.11,616 -0.11,617 -0.118,618 -0.114,619 -0.054,620 -0.138,621 -0.139,622 -0.118,623 -0.153,624 -0.062,625 0.13,626 -0.196,627 -0.01,628 -0.086,629 -0.115,630 0.29,631 -0.037,632 0.249,633 0.022,634 0.292,635 0.114,636 -0.095,637 -0.092,638 -0.15,639 -0.077,640 -0.034,641 -0.119,642 -0.197,643 0.027,644 -0.011,645 0.117,646 -0.099,647 0.114,648 2.924,649 5.744,650 0.455,651 37.153,652 1.022,653 1.143,654 1.807,655 3.264,656 0.641,657 3.584,658 3.932,659 4.174,660 4.407,661 4.543,662 4.654,663 4.673,664 4.718,665 4.771,666 4.82,667 8.138,668 0.629,669 455.53,670 3.584,671 5.142,672 5.989,673 6.874,674 7.74,675 8.63,676 9.503,677 10.395,678 11.272,679 12.165,680 12.1,684 2,686 1,687 1,688 1,690 2,694 2,695 5,696 2,697 1,700 5,702 16,708 1,711 2,714 1,718 58,719 19,720 1,721 35,723 60,724 21,725 12,726 2,727 4,728 1,729 3,730 4,739 3,741 15,742 6,744 3,748 3,751 3,754 1,757 25,758 11,759 7,760 12,764 7,769 0.667,770 5,776 1,777 1,780 1,781 2,784 1,792 2,800 2,802 2,806 2,810 33,811 2,815 2,816 3,820 1,821 2,829 8.6,831 2,832 3,836 18.833,837 10.617,838 7.222,839 3.043,840 3.238,841 1.424,842 0.93,843 7.531,844 10.867,845 3.85,846 4.451,847 4.995,848 5.557,849 6.018,850 6.338,851 6.637,852 6.908,853 7.058,854 7.302,855 1,856 53,857 12.243,859 5.313,860 8.227,861 22.163,863 17.745,865 2.727,866 90,870 211.88,871 95.088,872 122.4,874 160.801,877 95.088,878 372.681,879 122.4,880 16.793,881 10.299,882 112.747,883 202.612,884 31.611,885 15.998,886 200.109,888 211.88,889 217.487,890 160.801,893 188.338,894 184.344,897 30.699,898 153.217,899 33.571,901 211.88,902 283.201,903 95.088,906 211.88,907 31.342,908 69.994,909 16.786,910 260.167,911 211.88,912 283.201,913 95.088,915 0.593,916 0.34,917 0.176,918 0.09,919 22,920 13,921 0.15,922 9,923 1,924 1.133,925 4.241,926 292.782,927 0.133,928 15,929 162.465,933 24.448,934 10.166,935 5.598,936 1.23,937 266.416,938 8.436,939 8.131,940 3.027,943 2.324,945 167.947,946 590.168,947 46,951 35.03,954 -2.894,956 59.302,957 66.272,958 0.295,959 0.711,960 0.854,961 0.895,962 0.919,963 0.919,964 5.106,965 1.856,966 6.009,967 5.212,968 4.615,969 5.139,970 3.138,971 6.843,972 4.542,973 6.333,974 1.673,975 7.596,976 5.1,977 4.369,978 5.094,979 2.924,980 7.818,981 4.258,982 7.654,983 1.266,984 9.282,985 4.772,986 6.24,987 7.343,988 4.403,989 10.909,990 6.099,991 9.007,992 1.052,993 11.023,994 3.284,995 6.758,996 8.094,997 4.841,998 12.689,999 6.584,1000 10.39,1001 1,1002 12.8,1003 2.565,1004 8.158,1005 9.887,1006 5.955,1007 15.323,1008 7.954,1009 11.794,1010 0.819,1011 14.602,1012 2.275,1013 9.012,1014 11.023,1015 6.636,1016 17.443,1017 8.778,1018 13.216,1019 0.584,1020 16.422,1021 2.07,1022 10.24,1023 12.643,1024 7.608,1025 19.917,1026 9.975,1027 3.198,1028 -0.071,1029 18.258,1030 1.36,1031 11.248,1032 13.975,1033 8.389,1034 22.184,1035 10.952,1036 3.09,1037 11.135,1038 20.104,1039 -0.172,1040 12.413,1041 15.528,1042 9.299,1043 24.6,1044 12.086,1045 2.8,1046 10.354,1047 21.96,1048 4.609,1049 13.491,1050 16.958,1051 10.122,1052 26.933,1053 13.133,1054 2.547,1055 8.676,1056 23.824,1057 3.824,1058 14.635,1059 18.486,1060 11.005,1061 29.329,1062 14.246,1063 2.301,1064 8.045,1065 25.693,1066 3.325,1067 15.746,1068 19.964,1069 11.847,1070 31.693,1071 15.325,1072 2.178,1073 6.666,1074 27.568,1075 3.152,1076 16.885,1077 21.485,1078 12.717,1079 34.084,1080 16.432,1081 1.98,1082 5.791,1083 29.447,1084 3.003,1085 18.012,1086 22.987,1087 13.569,1088 36.462,1089 17.528,1090 15234,1091 28569,1092 21.907,1093 37.165,1094 53.706,1095 55.29,1096 56.129,1097 52.817,1098 52.69,1099 68.154,1100 14.699,1101 154.611,1102 50.742,1103 5.553,1104 5.866,1105 6.2,1106 5.237,1107 5.198,1108 7.609,1109 3.991,1110 18.413,1111 5.093,1112 23.359,1113 1.534,1114 1.58,1115 1.604,1116 1.509,1117 1.505,1118 1.947,1119 0.42,1120 4.417,1121 1.45,1122 4.116,1123 4.163,1124 4.087,1125 3.98,1126 7.477,1127 4.001,1128 3.951,1129 3.982,1130 3.902,1131 3.857,1132 7.471,1133 3.863,1134 3.776,1135 3.816,1136 3.692,1137 3.604,1138 7.427,1139 3.617,1140 3.532,1141 3.59,1142 3.454,1143 3.301,1144 6.352,1145 3.329,1146 3.457,1147 3.507,1148 3.384,1149 3.205,1150 6.35,1151 3.24,1152 3.342,1153 3.415,1154 3.266,1155 3.072,1156 5.321,1157 3.108,1158 3.224,1159 3.261,1160 3.095,1161 2.929,1162 4.981,1163 2.961,1164 3.094,1165 3.216,1166 2.967,1167 2.774,1168 4.781,1169 2.811,1170 0.133,1171 0.11,1172 0.194,1173 0.119,1174 0.091,1175 4.641,1176 0.132,1177 3.866,1178 0.068,1179 6.786,1180 0.318,1181 4.164,1182 0.088,1183 3.198,1184 4.609,1185 2.377,1186 11.135,1187 3.093,1188 1.93,1189 1.903,1190 2.031,1191 2.049,1192 1.242,1193 2.043,1194 1.823,1195 1.788,1196 1.915,1197 2.003,1198 1.166,1199 1.968,1200 1.718,1201 1.676,1202 1.867,1203 1.921,1204 1.028,1205 1.913,1206 1.568,1207 1.505,1208 1.733,1209 1.779,1210 0.781,1211 1.774,1212 1.389,1213 1.343,1214 1.636,1215 1.663,1216 0.731,1217 1.645,1218 1.268,1219 1.195,1220 1.561,1221 1.555,1222 0.604,1223 1.555,1224 1.104,1225 1.061,1226 1.348,1227 1.443,1228 0.451,1229 1.408,1230 1.027,1231 0.929,1232 1.296,1233 1.382,1234 0.31,1235 1.367,1236 4.263,1238 5.602,1239 2.398,1240 7.119,1241 4.727,1242 8.72,1243 6.843,1244 10.37,1246 3.21,1250 11.625,1251 18.2,1252 -0.063,1256 -1.237,1257 2.98,1262 36.465,1263 100.167,1264 241.683,1265 290.253,1266 304.253,1267 312.253,1268 312.253,1269 98.568,1270 7.629,1271 191.76,1272 191.76,1273 17,1274 12.695,1275 4.322,1276 3.585,1277 64.591,1278 166,1279 142,1280 0.193,1281 228.297,1282 396.63,1283 548.804,1284 22443,1286 24.284,1287 0.736,1288 0.55,1289 24.284,1290 18.148,1291 15.578,1292 0.445,1293 0.286,1294 9.797,1295 14.754,1296 9.552,1297 7.932,1298 15.578,1299 10,1300 14.714,1301 0.294,1302 0.152,1303 14.714,1304 7.61,1305 11.611,1306 0.181,1307 0.083,1308 11.611,1309 5.326,1310 9.54,1311 0.118,1312 0.044,1313 9.54,1314 3.563,1315 6.726,1316 0.072,1317 0.022,1318 6.726,1319 2.083,1320 0.311,1321 99.486,1322 0.214,1323 31.049,1324 0.508,1325 170,1326 591.044,1327 193.726,1328 566.102,1329 744.53,1330 520,1331 199,1332 530.547,1333 220.738,1334 535.224,1335 776.04,1336 499,1337 7.222}
{0 CHEMBL17383,1 1.787,2 14,3 0.305,4 0.093,5 110.904,6 8.401,7 0.485,8 4.065,9 4.176,10 3.684,11 3.49,12 5.385,13 3.536,14 4.531,15 4.67,16 4.06,17 3.866,18 5.976,19 3.882,20 4.795,21 4.974,22 4.085,23 3.977,24 6.064,25 3.976,26 4.881,27 5.067,28 4.068,29 3.962,30 6.201,31 3.954,32 4.864,33 5.069,34 3.962,35 3.898,36 6.28,37 3.876,38 4.72,39 4.916,40 3.935,41 3.842,42 6.244,43 3.815,44 4.642,45 4.823,46 3.826,47 3.76,48 6.096,49 3.74,50 4.566,51 4.793,52 3.628,53 3.612,54 5.803,55 3.582,56 0.296,57 0.777,58 8.901,59 3.807,60 41.57,61 4.44,62 0.648,63 1.162,64 15.723,65 6.703,66 93.919,67 8.375,68 0.842,69 1.354,70 23.8,71 7.738,72 115.454,73 10.28,74 1.107,75 1.349,76 27.675,77 8.381,78 147.426,79 10.965,80 1.275,81 1.249,82 29.302,83 8.239,84 187.638,85 10.831,86 1.039,87 1.119,88 24.537,89 8.143,90 166.284,91 10.933,92 0.898,93 1.045,94 21.945,95 7.313,96 138.445,97 9.375,98 0.751,99 0.957,100 22.036,101 5.963,102 95.998,103 8.456,104 59,105 46,106 0.298,107 0.712,108 0.834,109 0.88,110 0.887,111 0.887,112 3.471,113 0.83,114 -2.59,115 -2.61,116 -2.54,119 37.3,121 2,125 1,127 1,139 4,140 3,141 1,144 1,147 1,148 1,153 3,155 1,157 2,158 2,159 2,161 2,165 2,166 6,167 1,169 2,170 6,172 3,173 6,175 7,176 1,178 4,179 2,180 1,182 6,185 1,186 1,187 9,189 2,190 1,191 1,192 1,193 4,194 1,195 3,196 4,197 1,198 5,199 1,200 2,201 3,202 1,203 1,204 1,205 1,206 1,207 2,208 2,210 4,211 2,212 2,213 2,214 1,215 7,216 2,218 1,220 1,221 4,222 1,224 3,225 2,226 2,229 7,230 3,233 1,234 9,237 1,238 1,239 5,240 1,241 3,242 2,243 2,246 8,251 6,252 1,255 2,256 2,260 5,263 1,264 1,265 7,270 3,273 1606,274 20.223,275 20.223,276 20.223,277 20.223,278 20.223,279 17.791,280 25.778,281 11.821,282 20.499,283 16.25,284 16.25,285 16.25,286 16.25,287 16.25,288 12.485,289 34.257,290 5.605,291 16.693,292 3.886,293 1.402,294 0.667,295 0.392,296 0.353,297 0.353,298 4.148,301 1,303 906,304 4.528,306 81.67,307 212.273,310 151.39,314 2.258,315 53.578,318 0.5,319 0.67,320 0.5,321 0.4,323 0.5,324 0.5,325 0.44,326 71,327 434,328 4.638,329 3.777,330 6.78,331 4.165,332 3.188,333 4.608,334 2.375,335 11.107,336 3.117,337 4.206,338 3.592,339 6.116,340 3.886,341 2.892,342 3.771,343 2.341,344 8.889,345 2.868,346 3.895,347 3.521,348 5.832,349 3.643,350 2.654,351 3.173,352 1.061,353 7.91,354 2.614,355 3.731,356 3.27,357 5.366,358 3.37,359 2.405,360 3.12,361 0.657,362 6.938,363 2.322,364 3.655,365 2.699,366 5.249,367 3.228,368 2.28,369 2.951,370 0.14,371 6.581,372 2.158,373 3.523,374 2.459,375 5.063,376 3.175,377 2.17,378 2.788,380 5.79,381 2.142,382 3.406,383 2.149,384 4.756,385 2.923,386 1.98,387 2.686,389 5.12,390 1.866,391 3.062,392 2.068,393 4.645,394 2.692,395 1.731,396 2.232,398 4.968,399 1.656,400 2.87,401 2.003,402 4.201,403 2.438,404 1.446,405 1.917,407 3.753,408 1.418,409 2.5,410 1.83,411 3.625,412 2.142,413 1.129,414 1.5,415 2.624,416 1.125,417 2.481,418 1.104,419 3.589,420 2,421 1,422 1.369,423 2.275,424 1,425 2.305,426 1,427 3.414,428 1.839,429 0.859,430 1.22,431 2.119,432 0.84,433 1.827,434 0.949,435 3.23,436 1.556,437 0.609,438 0.716,439 1.51,440 0.575,441 1.569,442 0.793,443 2.828,444 1.335,445 0.335,446 0.379,448 0.757,449 0.329,450 1.138,451 0.546,452 2.682,453 0.752,454 -0.196,455 -0.244,457 -0.511,458 -0.184,459 13.9,460 0.448,461 0.932,462 0.03,463 40.75,464 1.315,465 20,466 0.645,467 20.75,468 0.669,469 23.539,470 0.759,471 34.7,472 0.68,473 35.148,474 1.134,475 8.438,476 0.272,477 6.302,478 0.203,479 0.177,481 0.396,485 0.957,486 1.283,487 0.771,488 0.995,489 0.828,490 0.832,491 0.518,492 1.127,493 0.719,494 1.122,495 0.423,496 1.013,497 0.964,498 1.249,499 0.994,500 1.118,501 0.953,502 1.07,503 1.094,504 1.092,505 1.114,506 1.099,507 1.104,508 1.12,509 1.096,510 0.755,511 1.137,512 0.883,513 1.068,514 0.995,515 0.68,516 0.893,517 0.844,518 1.016,519 0.71,520 0.991,521 0.999,522 1.068,523 1.039,524 1.126,525 0.948,526 1.115,527 1.061,528 1.01,529 1.043,530 0.942,531 0.959,532 0.966,533 7.5,534 0.197,535 3.778,536 2.222,537 1.832,538 1.136,539 0.619,540 0.408,541 0.354,542 0.234,543 13784,544 52384,545 1.975,546 39.2,548 7,549 1,551 8,552 2,553 2,555 1.731,556 1.806,557 3.715,558 5.117,560 1,564 91.125,565 1.787,566 4.27,567 5.006,568 5.28,569 5.319,570 5.319,571 3.208,572 4.503,573 4.927,574 3.947,575 1835.24,576 8.573,577 27879.3,579 1,582 289.294,583 1.541,584 4.858,585 0.227,586 0.009,587 0.082,588 0.048,589 0.043,590 0.03,591 0.016,592 0.012,593 0.013,594 0.009,595 0.489,596 0.17,597 0.75,598 1.699,599 165.138,600 -0.216,601 -0.011,602 -0.04,603 0.102,604 -0.166,605 0.104,606 0.225,607 0.057,608 0.08,609 -0.036,610 0.217,611 -0.035,612 -0.128,613 -0.184,614 -0.092,615 -0.099,616 -0.129,617 -0.086,618 -0.116,619 -0.096,620 -0.152,621 -0.114,622 -0.153,623 -0.148,624 -0.068,625 0.191,626 -0.124,627 0.077,628 -0.04,629 -0.016,630 0.227,631 0.055,632 0.136,633 0.029,634 0.259,635 0.055,636 -0.028,637 -0.107,638 -0.075,639 -0.084,640 0.042,641 -0.096,642 -0.185,643 -0.065,644 -0.032,645 0.026,646 -0.116,647 0.051,648 2.967,649 5.279,650 0.484,651 35.297,652 1.035,653 1.14,654 1.356,655 1.84,656 0.649,657 3.526,658 3.85,659 4.06,660 4.29,661 4.454,662 4.522,663 4.522,664 4.585,665 4.663,666 4.7,667 8.237,668 0.649,669 428.45,670 3.526,671 5.069,672 5.9,673 6.772,674 7.624,675 8.5,676 9.361,677 10.24,678 11.107,679 11.988,680 11.8,684 2,685 1,687 1,690 2,694 2,695 5,696 2,698 1,700 5,702 16,707 1,711 2,712 1,718 51,719 19,720 1,721 33,723 53,724 19,725 12,726 2,727 4,728 1,729 3,730 4,739 3,741 15,742 4,744 3,748 3,751 3,754 1,756 1,757 20,758 12,759 8,760 12,764 6,769 0.667,770 6,776 1,780 1,781 2,784 1,792 2,800 2,802 2,810 31,811 2,815 2,816 3,817 2,820 1,829 11.8,831 2,832 3,834 1,836 17.167,837 8.633,838 6.806,839 2.661,840 3.275,841 1.434,842 0.933,843 7.067,844 10.813,845 3.807,846 4.404,847 4.932,848 5.499,849 5.971,850 6.26,851 6.53,852 6.829,853 6.986,854 7.225,855 1,856 46,857 11.474,859 5.018,860 8.339,861 20.502,863 16.358,865 2.839,866 88,870 141.253,871 83.679,872 135.387,874 170.309,877 83.679,878 311.562,879 135.387,881 25.186,882 115.439,883 223.315,884 21.208,885 15.998,886 129.482,888 141.253,889 219.066,890 170.309,893 117.711,894 193.851,897 31.492,898 135.992,899 51.582,901 141.253,902 305.696,903 83.679,906 141.253,907 34.034,908 49.644,909 36.022,910 269.674,911 141.253,912 305.696,913 83.679,915 0.586,916 0.325,917 0.168,918 0.092,919 20,920 11,921 0.17,922 9,923 1,924 1.133,925 4.22,926 261.236,927 0.133,928 15,929 149.58,933 22.49,934 9.742,935 5.697,936 0.837,937 305.696,938 7.802,939 7.892,941 5.352,943 1.851,945 187.183,946 530.628,947 44,951 34.13,954 -3.059,956 52.76,957 58.153,958 0.315,959 0.753,960 0.882,961 0.931,962 0.938,963 0.938,964 5.043,965 1.731,966 5.9,967 5.12,968 4.533,969 5.091,970 3.081,971 6.693,972 4.481,973 6.263,974 1.446,975 7.456,976 4.968,977 4.205,978 5.017,979 2.882,980 7.588,981 4.134,982 7.576,983 1.129,984 9.11,985 3.753,986 6.116,987 7.298,988 4.381,989 10.652,990 6.02,991 8.921,992 1,993 10.818,994 2.624,995 6.553,996 8.03,997 4.828,998 12.385,999 6.446,1000 10.296,1001 0.859,1002 12.564,1003 2.275,1004 7.977,1005 9.843,1006 5.947,1007 14.991,1008 7.846,1009 11.692,1010 0.609,1011 14.337,1012 2.119,1013 8.768,1014 10.971,1015 6.631,1016 17.099,1017 8.628,1018 13.107,1019 0.335,1020 16.131,1021 1.51,1022 10.004,1023 12.603,1024 7.604,1025 19.555,1026 9.841,1027 3.188,1028 -0.196,1029 17.942,1030 0.757,1031 10.97,1032 13.935,1033 8.385,1034 21.83,1035 10.794,1036 2.892,1037 11.107,1038 19.767,1039 -0.511,1040 12.132,1041 15.495,1042 9.295,1043 24.24,1044 11.935,1045 2.654,1046 8.889,1047 21.604,1048 4.608,1049 13.184,1050 16.927,1051 10.118,1052 26.587,1053 12.97,1054 2.405,1055 7.91,1056 23.451,1057 3.771,1058 14.322,1059 18.461,1060 11,1061 28.986,1062 14.087,1063 2.28,1064 6.938,1065 25.307,1066 3.173,1067 15.417,1068 19.941,1069 11.843,1070 31.364,1071 15.162,1072 2.17,1073 6.581,1074 27.17,1075 3.12,1076 16.549,1077 21.466,1078 12.712,1079 33.763,1080 16.273,1081 1.98,1082 5.79,1083 29.04,1084 2.951,1085 17.667,1086 22.969,1087 13.563,1088 36.155,1089 17.369,1090 13605,1091 26620,1092 21.096,1093 33.091,1094 50.002,1095 51.456,1096 51.325,1097 49.463,1098 49.356,1099 64.861,1100 13.149,1101 140.685,1102 48.056,1103 5.549,1104 5.777,1105 6.194,1106 5.236,1107 5.188,1108 7.608,1109 3.989,1110 17.998,1111 5.117,1112 20.184,1113 1.515,1114 1.559,1115 1.555,1116 1.499,1117 1.496,1118 1.965,1119 0.398,1120 4.263,1121 1.456,1122 4.091,1123 4.114,1124 4.07,1125 3.945,1126 7.477,1127 3.97,1128 3.936,1129 3.964,1130 3.887,1131 3.844,1132 7.471,1133 3.851,1134 3.758,1135 3.795,1136 3.671,1137 3.587,1138 7.428,1139 3.598,1140 3.485,1141 3.54,1142 3.419,1143 3.242,1144 6.352,1145 3.276,1146 3.432,1147 3.46,1148 3.367,1149 3.165,1150 6.35,1151 3.21,1152 3.261,1153 3.285,1154 3.216,1155 2.995,1156 5.363,1157 3.043,1158 3.089,1159 3.197,1160 2.988,1161 2.74,1162 4.985,1163 2.795,1164 3.038,1165 3.097,1166 2.898,1167 2.735,1168 4.947,1169 2.746,1170 0.141,1171 0.114,1172 0.205,1173 0.126,1174 0.097,1175 4.638,1176 0.14,1177 3.777,1178 0.072,1179 6.78,1180 0.337,1181 4.165,1182 0.094,1183 3.188,1184 4.608,1185 2.375,1186 11.107,1187 3.117,1188 1.92,1189 1.894,1190 2.021,1191 2.036,1192 1.222,1193 2.03,1194 1.814,1195 1.782,1196 1.901,1197 1.987,1198 1.131,1199 1.952,1200 1.701,1201 1.661,1202 1.861,1203 1.901,1204 1.025,1205 1.895,1206 1.48,1207 1.443,1208 1.629,1209 1.717,1210 0.64,1211 1.697,1212 1.308,1213 1.288,1214 1.471,1215 1.612,1216 0.579,1217 1.562,1218 1.103,1219 1.087,1220 1.282,1221 1.418,1222 0.26,1223 1.371,1224 0.958,1225 0.898,1226 1.224,1227 1.356,1228 0.218,1229 1.325,1230 0.922,1231 0.828,1232 1.181,1233 1.3,1234 0.132,1235 1.246,1236 4.205,1238 5.525,1239 2.398,1240 7.018,1241 4.727,1242 8.596,1243 6.843,1244 10.223,1250 11.431,1251 17.839,1252 -0.246,1253 5.466,1256 -1.294,1262 33.105,1263 91.125,1264 217.768,1265 255.294,1266 269.294,1267 271.294,1268 271.294,1269 86.88,1270 7.538,1271 206.69,1272 206.69,1273 17,1274 12.526,1275 4.322,1276 3.585,1277 58.673,1278 158,1279 132,1280 0.183,1281 206.314,1282 359.82,1283 495.166,1284 20706,1286 22.543,1287 0.727,1288 0.521,1289 22.543,1290 16.162,1291 14.74,1292 0.447,1293 0.277,1294 8.938,1295 13.931,1296 8.835,1297 7.281,1298 14.74,1299 9.127,1300 13.775,1301 0.299,1302 0.144,1303 13.775,1304 6.636,1305 10.507,1306 0.184,1307 0.078,1308 10.507,1309 4.435,1310 8.58,1311 0.119,1312 0.04,1313 8.58,1314 2.88,1315 6.512,1316 0.077,1317 0.021,1318 6.512,1319 1.774,1320 0.298,1321 94.492,1322 0.218,1323 29.781,1324 0.472,1325 158,1326 597.822,1327 182.882,1328 565.85,1329 740.19,1330 520,1331 182,1332 524.319,1333 203.729,1334 523.069,1335 758.47,1336 490,1337 5.886}
{0 CHEMBL174091,1 1.633,2 12.97,3 3.078,4 9.473,5 125.512,6 7.484,7 0.514,8 4.217,9 4.324,10 3.77,11 3.619,12 5.412,13 3.644,14 4.72,15 4.885,16 4.077,17 3.942,18 5.838,19 3.962,20 4.787,21 4.899,22 4.251,23 4.118,24 5.978,25 4.126,26 5.015,27 5.182,28 4.256,29 4.215,30 6.126,31 4.187,32 5.164,33 5.347,34 4.168,35 4.253,36 6.194,37 4.204,38 5.11,39 5.305,40 4.085,41 4.246,42 6.11,43 4.161,44 5.202,45 5.477,46 4.098,47 4.176,48 6.12,49 4.081,50 4.968,51 5.177,52 4.096,53 4.052,54 6.051,55 4.002,56 0.149,57 0.837,58 12.895,59 5.304,60 15.549,61 6.696,62 0.692,63 1.19,64 25.416,65 8.38,66 46.863,67 10.402,68 0.696,69 1.402,70 24.2,71 9.272,72 35.139,73 11.79,74 0.726,75 1.615,76 32.522,77 11.664,78 53.769,79 15.356,80 1.297,81 1.685,82 41.294,83 12.657,84 80.354,85 16.452,86 0.817,87 1.7,88 37.283,89 12.819,90 60.007,91 17.464,92 1.089,93 1.642,94 45.913,95 13.821,96 80.264,97 20.492,98 1.039,99 1.416,100 33.68,101 10.67,102 63.503,103 15.09,104 75,105 48,106 0.265,107 0.537,108 0.643,109 0.679,110 0.71,111 0.749,112 3.532,113 0.855,114 -2.14,115 -2.19,116 -2.17,119 37.7,121 1,124 5,125 1,139 4,140 3,141 6,142 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 7,172 3,173 3,175 1,178 5,180 1,181 4,182 12,187 1,189 2,191 1,192 2,193 10,195 1,196 1,197 1,198 2,200 2,204 2,205 1,206 2,207 9,212 3,215 2,218 3,220 1,221 5,226 1,229 5,231 1,233 4,236 2,237 2,239 2,241 3,243 2,245 6,246 4,248 1,249 1,254 3,259 2,260 4,262 2,263 2,268 2,273 2011,274 22.453,275 22.453,276 22.453,277 22.453,278 22.453,279 20.175,280 35.303,281 12.964,282 23.593,283 16.928,284 16.928,285 16.928,286 16.928,287 16.928,288 13.163,289 48.757,290 5.676,291 18.29,292 4.298,293 2.618,294 1.964,295 1.741,296 1.551,297 1.308,298 4.211,301 1,302 1,303 889,304 3.674,307 372.669,314 2.217,315 36.002,318 1,319 0.5,320 0.83,321 1,322 1,323 1,324 1,325 0.9,326 74,327 428,328 4.44,329 3.417,330 6.534,331 4.037,332 3.088,333 4.122,334 1.151,335 10.316,336 2.932,337 4.411,338 3.364,339 6.52,340 3.998,341 3.05,342 4.096,343 0.86,344 10.249,345 2.888,346 4.229,347 3.081,348 6.088,349 3.81,350 2.857,351 3.875,352 0.86,353 8.844,354 2.72,355 3.622,356 2.694,357 5.314,358 3.274,359 2.318,360 2.951,361 0.86,362 6.83,363 2.209,364 3.542,365 2.555,366 5.26,367 3.185,368 2.225,369 2.86,370 0.86,371 6.648,372 2.131,373 3.358,374 2.555,375 5.19,376 2.972,377 2.061,378 2.659,379 0.86,380 6.118,381 1.867,382 3.355,383 2.506,384 5.19,385 2.972,386 2.061,387 2.604,388 0.68,389 6.118,390 1.867,391 3.355,392 2.169,393 4.921,394 2.936,395 1.993,396 2.604,398 5.653,399 1.867,400 2.823,401 2.006,402 4.151,403 2.353,404 1.423,405 1.952,407 3.685,408 1.32,409 2.32,410 1.845,411 3.907,412 2.079,413 1.238,414 1.31,415 2.94,416 1.034,417 2.146,418 1.549,419 3.736,420 1.911,421 1.084,422 1.129,423 2.298,424 0.892,425 1.618,426 1.142,427 3.071,428 1.358,429 0.501,430 0.538,431 0.905,432 0.425,433 1.595,434 0.961,435 2.949,436 1.317,437 0.396,438 0.453,439 0.844,440 0.356,441 1.576,442 0.916,443 2.859,444 1.27,445 0.396,446 0.452,448 0.603,449 0.342,450 1.576,451 0.916,452 2.859,453 1.27,454 0.384,455 0.452,457 0.603,458 0.342,459 15.1,460 0.458,461 0.742,462 0.022,463 44,464 1.333,465 22,466 0.667,467 22,468 0.667,469 27.909,470 0.846,471 37.7,472 0.618,473 38.115,474 1.155,475 9.43,476 0.286,477 6.5,478 0.197,479 0.219,481 0.364,485 0.988,486 1.432,487 0.803,488 1.301,489 1.096,490 1.041,491 1.437,492 0.683,493 0.834,494 0.667,495 1.034,496 0.627,497 0.907,498 1.318,499 0.929,500 1.25,501 0.846,502 1.114,503 0.961,504 1.202,505 1.009,506 1.293,507 0.914,508 1.181,509 1.528,510 0.926,511 1.271,512 0.948,513 1.31,514 1.046,515 1.044,516 1.22,517 1.208,518 1.292,519 1.037,520 1.296,521 0.711,522 0.748,523 0.662,524 0.774,525 0.571,526 0.729,527 0.744,528 1.057,529 0.834,530 1.042,531 0.73,532 0.98,533 7.5,534 0.186,535 3.778,536 2.813,537 2.462,538 1.229,539 0.709,540 0.75,541 0.509,542 0.415,543 14473,544 44302,545 1.976,546 45.9,547 2,548 21,550 1,551 4,555 1.754,556 1.817,557 3.605,558 1.603,560 1,564 99.617,565 1.633,566 3.313,567 3.966,568 4.19,569 4.38,570 4.623,571 3.086,572 4.332,573 5.015,574 3.821,575 2017.31,576 8.791,577 30452.6,582 361.775,583 1.52,584 4.954,585 0.214,586 0.006,587 0.079,588 0.051,589 0.046,590 0.026,591 0.016,592 0.017,593 0.012,594 0.011,595 0.478,596 0.17,597 0.88,598 1.04,599 175.78,600 -0.098,601 -0.177,602 0.05,603 -0.155,604 -0.168,605 -0.028,606 -0.183,607 0.362,608 0.155,609 0.358,610 -0.011,611 0.334,612 0.135,613 -0.126,614 -0.037,615 -0.133,616 0.047,617 -0.121,618 0.02,619 -0.116,620 -0.08,621 -0.232,622 0.016,623 -0.184,624 -0.245,625 0.038,626 -0.261,627 0.052,628 -0.26,629 -0.088,630 -0.117,631 -0.2,632 -0.267,633 -0.248,634 -0.168,635 -0.288,636 0.161,637 0.101,638 0.355,639 0.191,640 0.269,641 0.294,642 0.263,643 -0.089,644 0.149,645 -0.036,646 0.213,647 0.016,648 1.54,649 2.585,650 0.545,651 36.241,652 1.016,653 1.135,654 0.913,655 0.833,656 0.637,657 3.584,658 3.892,659 4.174,660 4.419,661 4.615,662 4.625,663 4.7,664 4.787,665 4.92,666 5.004,667 7.594,668 0.618,669 456.55,670 3.584,671 5.118,672 5.969,673 6.847,674 7.714,675 8.594,676 9.466,677 10.347,678 11.22,679 12.101,680 6.6,684 2,690 2,695 5,696 2,700 11,702 18,711 2,716 6,718 61,719 18,720 2,721 35,723 63,724 23,725 16,726 8,727 4,729 3,730 3,739 1,741 16,742 7,754 1,757 28,758 10,759 4,760 10,764 4,769 1,770 6,776 1,781 3,802 3,806 5,810 33,811 2,816 2,818 6,829 9.8,834 6,836 18.167,837 12.483,838 7.722,839 2.988,840 3.143,841 1.415,842 0.935,843 8.572,844 10.712,845 3.807,846 4.413,847 4.989,848 5.526,849 6.03,850 6.174,851 6.393,852 6.708,853 7.117,854 7.481,855 0.889,856 55,857 12.088,859 4.869,860 7.813,861 22.586,863 17.162,865 2.313,866 76.333,869 1,870 282.506,871 153.739,872 99.365,874 65.999,877 153.739,878 348.506,879 99.365,880 54.415,881 7.127,882 103.699,883 45.342,884 116.064,885 4.227,886 270.735,888 282.506,889 253.104,890 65.999,893 282.506,894 65.999,897 18.073,898 201.46,899 33.571,901 282.506,902 165.365,903 153.739,906 282.506,907 52.371,908 101.368,910 165.365,911 282.506,912 165.365,913 153.739,915 0.568,916 0.357,917 0.201,918 0.108,919 20,920 11,921 0.159,922 10,924 1,925 4.209,926 295.91,928 18,929 146.465,933 24.855,934 11.38,935 5.777,937 165.365,938 8.939,939 8.016,943 5.922,945 65.794,946 601.61,947 44,956 61.974,957 69.232,958 0.275,959 0.559,960 0.669,961 0.706,962 0.739,963 0.779,964 5.04,965 1.993,966 5.958,967 6.118,968 4.575,969 5.1,970 2.482,971 6.779,972 4.438,973 6.253,974 1.423,975 7.529,976 5.653,977 4.205,978 5.007,980 7.711,981 4.044,982 7.573,983 1.238,984 9.195,985 3.685,986 6.184,987 7.322,988 2.342,989 10.782,990 5.951,991 8.929,992 1.084,993 10.914,994 2.94,995 6.608,996 7.991,998 12.496,999 6.332,1000 10.312,1001 0.501,1002 12.669,1003 2.298,1004 8.057,1005 9.81,1006 2.291,1007 15.094,1008 7.734,1009 11.715,1010 0.396,1011 14.446,1012 0.905,1013 8.848,1014 10.833,1016 17.148,1017 8.468,1018 13.132,1019 0.396,1020 16.24,1021 0.844,1022 10.09,1023 12.445,1024 2.326,1025 19.577,1026 9.67,1027 3.088,1028 0.384,1029 18.048,1030 0.603,1031 11.055,1032 13.648,1034 21.781,1035 10.574,1036 3.05,1037 10.316,1038 19.866,1039 0.603,1040 12.215,1041 15.16,1042 2.434,1043 24.146,1044 11.693,1045 2.857,1046 10.249,1047 21.693,1048 4.122,1049 13.259,1050 16.458,1052 26.416,1053 12.678,1054 2.318,1055 8.844,1056 23.528,1057 4.096,1058 14.387,1059 17.919,1060 2.599,1061 28.756,1062 13.761,1063 2.225,1064 6.83,1065 25.368,1066 3.875,1067 15.469,1068 19.266,1070 31.056,1071 14.785,1072 2.061,1073 6.648,1074 27.213,1075 2.951,1076 16.586,1077 20.701,1078 2.804,1079 33.387,1080 15.854,1081 2.061,1082 6.118,1083 29.062,1084 2.86,1085 17.684,1086 22.075,1088 35.701,1089 16.896,1090 14376,1091 25291,1092 22.482,1093 38.887,1094 50.474,1095 52.638,1096 54.813,1097 50.485,1098 50.723,1099 64.729,1100 12.262,1101 146.057,1102 46.861,1103 5.29,1104 5.417,1105 6.077,1106 5.108,1107 5.088,1108 7.122,1109 2.302,1110 17.236,1111 4.932,1112 20.726,1113 1.442,1114 1.504,1115 1.566,1116 1.442,1117 1.449,1118 1.849,1119 0.35,1120 4.173,1121 1.339,1122 4.012,1123 4.031,1124 3.971,1125 3.911,1126 5.292,1127 3.922,1128 3.921,1129 3.937,1130 3.882,1131 3.829,1132 5.006,1133 3.838,1134 3.809,1135 3.844,1136 3.778,1137 3.645,1138 4.978,1139 3.672,1140 3.363,1141 3.403,1142 3.253,1143 3.132,1144 4.925,1145 3.156,1146 3.303,1147 3.355,1148 3.144,1149 3.032,1150 4.58,1151 3.048,1152 3.303,1153 3.355,1154 3.144,1155 3.006,1156 4.58,1157 3.026,1158 3.272,1159 3.341,1160 3.132,1161 3.006,1162 4.481,1163 3.026,1164 3.208,1165 3.286,1166 2.979,1167 2.899,1168 4.454,1169 2.898,1170 0.127,1171 0.098,1172 0.187,1173 0.115,1174 0.088,1175 4.44,1176 0.118,1177 3.417,1178 0.033,1179 6.534,1180 0.295,1181 4.037,1182 0.084,1183 3.088,1184 4.122,1185 1.151,1186 10.316,1187 2.932,1188 1.935,1189 1.92,1190 2.02,1191 2.056,1192 1.211,1193 2.043,1194 1.88,1195 1.868,1196 1.966,1197 2.003,1198 1.136,1199 1.988,1200 1.724,1201 1.687,1202 1.802,1203 1.914,1204 0.865,1205 1.883,1206 1.286,1207 1.243,1208 1.59,1209 1.566,1210 0.64,1211 1.57,1212 1.227,1213 1.163,1214 1.59,1215 1.558,1216 0.584,1217 1.565,1218 1.227,1219 1.163,1220 1.589,1221 1.558,1222 0.584,1223 1.565,1224 1.21,1225 1.142,1226 1.564,1227 1.509,1228 0.569,1229 1.525,1230 1.164,1231 1.077,1232 1.552,1233 1.495,1234 0.56,1235 1.516,1236 4.263,1238 5.572,1240 7.089,1242 8.705,1244 10.37,1246 7.798,1250 11.557,1252 0.674,1254 33.427,1262 37.696,1263 99.617,1264 202.071,1265 241.952,1266 255.562,1267 267.172,1268 282.001,1269 65.845,1270 7.568,1271 133.2,1272 133.2,1273 18,1274 12.638,1275 4.248,1276 3.322,1277 64.226,1278 149,1279 155,1280 0.207,1281 234.022,1282 409.66,1283 562.774,1284 19698,1286 23.957,1287 0.726,1288 0.585,1289 23.957,1290 19.3,1291 15.93,1292 0.455,1293 0.285,1294 9.677,1295 14.842,1296 9.283,1297 7.832,1298 15.93,1299 9.97,1300 13.553,1301 0.282,1302 0.145,1303 13.553,1304 6.967,1305 11.689,1306 0.183,1307 0.077,1308 11.689,1309 4.939,1310 9.752,1311 0.119,1312 0.041,1313 9.752,1314 3.343,1315 7.814,1316 0.078,1317 0.023,1318 7.814,1319 2.298,1320 0.328,1321 103.505,1322 0.211,1323 30.726,1324 0.563,1325 166,1326 598.328,1327 189.986,1328 549.45,1329 742.57,1330 518,1331 195,1332 532.154,1333 220.372,1334 541.404,1335 783.53,1336 497,1337 4.824}
{0 CHEMBL17430,1 1.882,2 9.333,3 3.425,4 11.732,5 90.55,6 10.633,7 0.696,8 3.613,9 3.726,10 3.514,11 3.268,12 4.843,13 3.227,14 4.056,15 4.181,16 3.937,17 3.679,18 5.313,19 3.599,20 4.231,21 4.372,22 4.104,23 3.775,24 5.447,25 3.661,26 4.22,27 4.387,28 3.941,29 3.671,30 5.422,31 3.519,32 4.195,33 4.433,34 3.651,35 3.468,36 5.257,37 3.317,38 4.013,39 4.251,40 3.335,41 3.358,42 4.941,43 3.204,44 3.825,45 4.002,46 3.447,47 3.241,48 5.011,49 3.16,50 3.836,51 4.043,52 3.459,53 3.16,54 5.035,55 3.064,56 0.114,57 0.523,58 2.963,59 2.327,60 12.676,61 2.263,62 0.215,63 0.802,64 8.718,65 4.757,66 18.023,67 5.101,68 0.312,69 0.885,70 17.364,71 5.92,72 26.643,73 5.721,74 0.327,75 0.892,76 18.881,77 6.399,78 29.454,79 6.546,80 0.391,81 0.844,82 19.347,83 5.577,84 39.939,85 5.263,86 0.237,87 0.625,88 19.129,89 6.021,90 24.6,91 7.273,92 0.194,93 0.551,94 9.629,95 3.542,96 17.38,97 3.99,98 0.256,99 0.522,100 13.253,101 4.072,102 22.381,103 4.153,104 17,105 33,106 0.349,107 0.728,108 0.819,109 0.881,110 0.892,111 0.892,112 3.103,113 1.011,114 -5.01,115 -4.91,116 -4.6,119 40.6,125 1,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 2,169 1,170 2,172 3,173 4,175 3,178 6,180 1,182 2,187 1,189 7,191 1,195 1,196 2,197 3,198 2,200 4,201 4,204 1,205 1,207 2,212 2,215 4,218 2,226 2,229 2,234 4,239 4,241 2,243 3,246 2,251 2,254 1,256 1,260 2,265 4,270 3,273 527,274 13.878,275 13.878,276 13.878,277 13.878,278 13.878,279 11.822,280 13.771,281 7.979,282 14.531,283 11.322,284 11.322,285 11.322,286 11.322,287 11.322,288 8.261,289 15.301,290 3.784,291 12.532,292 3.118,293 1.074,294 0.586,295 0.25,296 0.188,297 0.188,298 3.779,299 2,300 1,301 1,302 1,303 420,304 2.449,306 43.624,307 119.386,310 81.818,314 1.302,315 19.694,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 45.167,327 196,328 4.638,329 4.44,330 6.78,331 4.153,332 3.188,333 4.608,334 3.272,335 11.107,336 3.078,337 4.214,338 3.338,339 5.951,340 3.714,341 2.828,342 3.869,344 8.323,345 2.453,346 3.715,347 3.231,348 5.332,349 3.272,350 2.361,351 3.157,353 6.764,354 2.155,355 3.51,356 2.792,357 5.182,358 3.046,359 2.183,360 2.825,362 6.346,363 1.818,364 3.405,365 2.303,366 5.063,367 2.899,368 1.98,369 2.781,371 5.79,372 1.788,373 3.045,374 2.141,375 4.753,376 2.653,377 1.709,378 2.22,380 4.954,381 1.599,382 2.82,383 2.065,384 4.043,385 2.306,386 1.414,387 1.949,389 3.525,390 1.198,391 2.307,392 1.639,393 3.589,394 1.783,395 0.87,396 1.226,398 2.128,399 0.788,400 1.875,401 1.005,402 3.267,403 1.488,404 0.655,405 0.776,407 1.609,408 0.523,409 1.348,410 0.853,411 2.696,412 0.879,413 0.108,414 0.128,415 0.24,416 0.068,417 1.095,418 0.414,419 2.574,420 0.628,421 -0.255,422 -0.324,423 -0.673,424 -0.22,425 0.858,426 -0.023,427 2.375,428 0.421,429 -0.467,430 -0.581,431 -1.188,432 -0.384,433 0.718,434 -0.228,435 2.237,436 0.256,437 -0.615,438 -0.751,439 -1.565,440 -0.473,441 0.345,442 -0.297,443 2,444 0.008,445 -0.883,446 -1.082,448 -2.321,449 -0.694,450 0.093,451 -0.59,452 1.88,453 -0.337,454 -1.192,455 -1.482,457 -3.058,458 -0.964,459 10.762,460 0.512,461 0.63,462 0.03,463 29.5,464 1.405,465 15.5,466 0.738,467 14,468 0.667,469 15.623,470 0.744,471 21.638,472 0.676,473 18.265,474 0.87,475 5.538,476 0.264,477 4.504,478 0.214,479 0.207,481 0.372,485 0.956,486 1.021,487 0.573,488 0.581,489 1.096,490 0.602,491 0.549,492 0.846,493 0.755,494 0.877,495 0.441,496 0.792,497 1.057,498 1.19,499 1.01,500 1.064,501 0.918,502 1.018,503 0.775,504 1.12,505 1.035,506 1.28,507 0.764,508 1.258,509 1.154,510 0.868,511 0.799,512 0.881,513 1.358,514 1.004,515 0.622,516 0.877,517 0.801,518 0.942,519 0.633,520 0.917,521 1.069,522 1.194,523 0.871,524 0.926,525 0.983,526 1.004,527 1.231,528 1.094,529 1.043,530 0.938,531 1.171,532 0.907,533 5,534 0.062,535 2.667,536 1.785,537 1.303,538 0.427,539 0.375,540 0.234,541 0.263,542 0.173,543 4402,544 17177,545 2.045,546 34.4,548 5,549 1,551 5,555 1.628,556 1.881,557 3.184,558 2.892,560 1,562 1,564 60.231,565 1.882,566 3.926,567 4.414,568 4.75,569 4.813,570 4.813,571 2.643,572 4.202,573 4.367,574 3.307,575 694.446,576 7.462,577 7372.71,578 1,579 1,580 1,581 1,582 160,583 1.51,584 4.305,585 0.217,586 0.009,587 0.081,588 0.056,589 0.05,590 0.024,591 0.021,592 0.012,593 0.015,594 0.013,595 0.499,596 0.17,597 1,598 0.665,599 95.067,600 -0.25,601 0.112,602 -0.019,603 0.184,604 -0.32,605 0.138,606 0.179,607 0.243,608 -0.006,609 0.058,610 0.221,611 0.059,612 -0.14,613 -0.155,614 -0.042,615 -0.062,616 -0.077,617 -0.119,618 0.092,619 -0.084,620 -0.08,621 -0.214,622 0.104,623 -0.305,624 -0.273,625 0.169,626 0.025,627 0.123,628 -0.369,629 -0.007,630 0.105,631 -0.047,632 0.102,633 0.103,634 0.098,635 0.247,636 -0.157,637 -0.258,638 -0.053,639 -0.099,640 -0.086,641 -0.078,642 -0.141,643 -0.148,644 -0.023,645 0.014,646 -0.125,647 0.082,648 1.509,649 1.916,650 0.714,651 14.671,652 1.024,653 1.124,654 3.781,655 14.293,656 0.764,657 3.178,658 3.526,659 3.784,660 4.043,661 4.19,662 4.22,663 4.22,664 4.304,665 4.344,666 4.357,667 5.449,668 0.721,669 340.26,670 3.178,671 4.727,672 5.58,673 6.466,674 7.334,675 8.223,676 9.096,677 9.987,678 10.865,679 11.757,680 15.6,684 2,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,717 2,718 32,719 16,720 1,721 23,723 34,724 13,725 12,726 3,727 3,729 3,730 4,731 2,741 12,742 1,753 1,754 1,757 11,758 4,759 5,760 8,761 3,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,807 2,810 21,811 2,816 1,819 1,828 2,836 11.167,837 5.602,838 4.528,839 1.612,840 3.104,841 1.455,842 1.036,843 4.17,844 9.923,845 3.466,846 4.155,847 4.776,848 5.389,849 5.862,850 6.114,851 6.361,852 6.719,853 6.838,854 7.064,855 1,856 32,857 7.66,859 3.26,860 7.852,861 14.354,863 11.711,865 2.352,866 49.389,870 70.627,871 90.848,872 116.151,873 78.297,876 32.22,877 58.629,878 148.924,879 116.151,881 0.9,882 103.271,883 35.286,884 31.096,885 15.998,886 91.075,887 78.297,888 70.627,889 174.78,891 110.517,893 70.627,897 21.3,898 119.909,899 111.868,900 32.22,901 70.627,902 116.151,903 169.145,906 70.627,907 53.372,908 37.476,909 16.786,910 177.663,911 70.627,912 116.151,913 169.145,915 0.594,916 0.347,917 0.183,918 0.094,919 17,920 8,921 0.088,922 3,923 1,924 1.133,925 3.327,926 160.526,927 0.133,928 15,929 92.239,930 1,933 14.78,934 5.925,935 3.058,936 1.446,937 99.365,938 7.395,939 8.113,940 3.055,943 3.652,945 82.58,946 355.923,947 31,956 32.767,957 35.96,958 0.376,959 0.785,960 0.883,961 0.95,962 0.963,963 0.963,964 4.7,965 0.87,966 5.587,967 3.525,968 4.205,969 4.84,970 3.11,971 6.409,972 4.013,973 5.948,974 0.655,975 7.159,976 2.128,977 3.892,978 4.808,980 7.326,981 3.586,982 7.281,983 0.108,984 8.826,985 1.609,986 5.814,987 7.155,988 5.44,989 10.422,990 5.489,991 8.65,992 -0.255,993 10.548,994 0.24,995 6.275,996 7.927,998 12.183,999 5.866,1000 10.048,1001 -0.467,1002 12.306,1003 -0.673,1004 7.708,1005 9.776,1006 7.807,1007 14.818,1008 7.285,1009 11.469,1010 -0.615,1011 14.092,1012 -1.188,1013 8.531,1014 10.936,1016 16.955,1017 8.058,1018 12.908,1019 -0.883,1020 15.898,1021 -1.565,1022 9.777,1023 12.585,1024 10.177,1025 19.435,1026 9.286,1027 3.188,1028 -1.192,1029 17.721,1030 -2.321,1031 10.771,1032 13.935,1034 21.732,1035 10.248,1036 2.828,1037 11.107,1038 19.559,1039 -3.058,1040 11.946,1041 15.502,1042 12.548,1043 24.159,1044 11.403,1045 2.361,1046 8.323,1047 21.409,1048 4.608,1049 13.02,1050 16.942,1052 26.521,1053 12.453,1054 2.183,1055 6.764,1056 23.269,1057 3.869,1058 14.17,1059 18.477,1060 14.919,1061 28.933,1062 13.582,1063 1.98,1064 6.346,1065 25.138,1066 3.157,1067 15.282,1068 19.96,1070 31.321,1071 14.671,1072 1.709,1073 5.79,1074 27.014,1075 2.825,1076 16.426,1077 21.484,1078 17.29,1079 33.728,1080 15.793,1081 1.414,1082 4.954,1083 28.896,1084 2.781,1085 17.556,1086 22.987,1088 36.127,1089 16.899,1090 4311,1091 8628,1092 15.027,1093 24.438,1094 34.8,1095 38.482,1096 36.267,1097 34.661,1098 34.595,1099 47.079,1100 6.545,1101 101.573,1102 30.938,1103 5.474,1104 6.44,1105 6.158,1106 5.278,1107 5.188,1108 7.608,1109 6.545,1110 17.998,1111 5.078,1112 11.36,1113 1.513,1114 1.673,1115 1.577,1116 1.507,1117 1.504,1118 2.047,1119 0.285,1120 4.416,1121 1.345,1122 4.105,1123 4.15,1124 4.181,1125 3.989,1126 5.321,1127 3.996,1128 3.885,1129 3.895,1130 4.064,1131 3.859,1132 5.037,1133 3.84,1134 3.441,1135 3.521,1136 3.726,1137 3.276,1138 4.981,1139 3.256,1140 3.15,1141 3.239,1142 3.399,1143 3.034,1144 4.768,1145 2.988,1146 3.057,1147 3.144,1148 3.325,1149 2.795,1150 4.491,1151 2.805,1152 2.878,1153 2.922,1154 3.022,1155 2.768,1156 4.25,1157 2.763,1158 2.773,1159 2.81,1160 2.936,1161 2.629,1162 4.099,1163 2.615,1164 2.528,1165 2.673,1166 2.497,1167 2.217,1168 3.775,1169 2.216,1170 0.202,1171 0.193,1172 0.295,1173 0.181,1174 0.139,1175 4.638,1176 0.2,1177 4.44,1178 0.142,1179 6.78,1180 0.483,1181 4.153,1182 0.134,1183 3.188,1184 4.608,1185 3.272,1186 11.107,1187 3.078,1188 1.877,1189 1.867,1190 1.902,1191 2.009,1192 1.125,1193 1.973,1194 1.814,1195 1.781,1196 1.855,1197 1.904,1198 1.004,1199 1.926,1200 1.539,1201 1.483,1202 1.675,1203 1.733,1204 0.729,1205 1.731,1206 1.087,1207 1.018,1208 1.302,1209 1.4,1210 0.361,1211 1.389,1212 0.962,1213 0.883,1214 1.25,1215 1.324,1216 0.171,1217 1.327,1218 0.868,1219 0.824,1220 1.1,1221 1.022,1222 0.007,1223 1.066,1224 0.807,1225 0.74,1226 0.997,1227 0.976,1229 1.019,1230 0.589,1231 0.497,1232 0.792,1233 0.809,1235 0.848,1236 3.85,1238 5.187,1239 2.398,1240 6.711,1241 4.727,1242 8.324,1243 6.843,1244 9.986,1247 11.91,1250 11.492,1252 0.704,1255 1.623,1262 23.056,1263 60.231,1264 125.635,1265 141.245,1266 152,1267 154,1268 154,1269 28.993,1270 6.819,1271 93.61,1272 118.91,1273 17,1274 12.287,1275 4.087,1276 3.17,1277 32.334,1278 69,1279 63,1280 0.234,1281 154.567,1282 249.13,1283 368.904,1284 7672,1285 6.3,1286 14.983,1287 0.713,1288 0.622,1289 16.336,1290 13.058,1291 10.042,1292 0.437,1293 0.337,1294 6.091,1295 8.727,1296 5.805,1297 4.772,1298 11.073,1299 7.753,1300 9.44,1301 0.286,1302 0.189,1303 10.759,1304 6.232,1305 7.786,1306 0.181,1307 0.11,1308 9.359,1309 4.726,1310 6.515,1311 0.116,1312 0.058,1313 7.673,1314 3.264,1315 4.832,1316 0.074,1317 0.036,1318 6.121,1319 2.352,1320 0.365,1321 72.99,1322 0.258,1323 20.802,1324 0.644,1325 112,1326 337.515,1327 173.481,1328 416.527,1329 550.46,1330 386,1331 132,1332 350.078,1333 185.263,1334 388.939,1335 570.64,1336 365,1337 5.276}
{0 CHEMBL17431,1 1.779,2 10.13,3 2.064,4 4.258,5 93.867,6 8.286,7 0.64,8 3.818,9 3.937,10 3.512,11 3.328,12 5.016,13 3.313,14 4.288,15 4.445,16 3.861,17 3.698,18 5.447,19 3.654,20 4.369,21 4.51,22 3.94,23 3.803,24 5.506,25 3.74,26 4.48,27 4.646,28 3.939,29 3.824,30 5.622,31 3.723,32 4.58,33 4.82,34 3.691,35 3.737,36 5.562,37 3.593,38 4.393,39 4.649,40 3.403,41 3.62,42 5.209,43 3.43,44 4.197,45 4.43,46 3.383,47 3.405,48 5.181,49 3.308,50 4.137,51 4.367,52 3.295,53 3.279,54 5.179,55 3.221,56 0.101,57 0.638,58 7.962,59 3.413,60 11.751,61 3.997,62 0.355,63 0.95,64 17.388,65 6.411,66 27.601,67 7.135,68 0.309,69 1.065,70 17.562,71 6.647,72 19.003,73 7.558,74 0.333,75 1.146,76 21.267,77 7.866,78 28.98,79 9.168,80 0.54,81 1.121,82 27.003,83 7.272,84 47.079,85 9.426,86 0.259,87 0.909,88 25.164,89 8.495,90 23.697,91 10.647,92 0.241,93 0.775,94 18.563,95 5.641,96 22.084,97 7.338,98 0.269,99 0.705,100 15.732,101 4.701,102 22.257,103 6.242,104 21,105 35,106 0.315,107 0.684,108 0.782,109 0.83,110 0.839,111 0.848,112 3.188,113 0.941,114 -3.48,115 -3.46,116 -3.3,119 37.5,124 2,125 1,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 2,169 1,170 4,172 3,173 4,175 3,178 4,180 1,181 1,182 5,187 1,189 3,191 1,193 2,195 1,196 2,197 3,198 2,200 4,201 2,204 1,205 1,207 3,212 2,215 3,218 2,221 1,226 2,229 1,234 6,239 4,243 3,246 3,249 1,251 1,256 1,259 2,262 1,263 2,265 2,270 2,273 663,274 15.618,275 15.618,276 15.618,277 15.618,278 15.618,279 13.668,280 18.836,281 9.02,282 16.381,283 12.197,284 12.197,285 12.197,286 12.197,287 12.197,288 9.114,289 22.496,290 4.083,291 13.25,292 3.542,293 1.459,294 0.907,295 0.638,296 0.588,297 0.538,298 3.867,300 1,301 1,302 1,303 495,304 2.828,306 50.012,307 135.559,310 93.65,314 1.365,315 19.733,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50.5,327 233,328 4.638,329 4.439,330 6.78,331 4.153,332 3.188,333 4.608,334 3.272,335 11.108,336 3.078,337 4.264,338 3.304,339 6.165,340 3.836,341 2.898,342 3.909,343 0.86,344 9.124,345 2.708,346 3.718,347 3.149,348 5.343,349 3.284,350 2.374,351 3.158,352 0.86,353 6.836,354 2.163,355 3.546,356 2.785,357 5.215,358 3.119,359 2.219,360 2.862,362 6.498,363 1.971,364 3.405,365 2.303,366 5.063,367 2.899,368 1.98,369 2.785,371 5.79,372 1.818,373 3.047,374 2.181,375 4.754,376 2.658,377 1.714,378 2.221,380 4.96,381 1.61,382 2.919,383 2.065,384 4.365,385 2.521,386 1.609,387 2.057,389 4.122,390 1.461,391 2.309,392 1.642,393 3.589,394 1.791,395 0.887,396 1.229,398 2.133,399 0.795,400 2.003,401 1.209,402 3.29,403 1.655,404 0.77,405 0.926,407 1.72,408 0.671,409 1.732,410 0.937,411 3,412 1.4,413 0.542,414 0.628,415 1.067,416 0.457,417 1.444,418 0.856,419 2.693,420 1.173,421 0.325,422 0.355,423 0.442,424 0.273,425 1.114,426 0.6,427 2.592,428 0.695,429 -0.213,430 -0.264,431 -0.511,432 -0.192,433 0.915,434 -0.021,435 2.433,436 0.498,437 -0.405,438 -0.511,439 -0.895,440 -0.36,441 0.737,442 -0.172,443 2.249,444 0.356,445 -0.542,446 -0.643,448 -1.234,449 -0.482,450 0.584,451 -0.296,452 2.047,453 0.15,454 -0.786,455 -0.955,457 -1.997,458 -0.711,459 11,460 0.478,461 0.554,462 0.024,463 32,464 1.391,465 16.5,466 0.717,467 15.5,468 0.674,469 16.467,470 0.716,471 25,472 0.625,473 21.883,474 0.951,475 6.362,476 0.277,477 4.756,478 0.207,479 0.164,481 0.364,485 1.077,486 1.214,487 0.759,488 0.909,489 1.233,490 0.843,491 1.152,492 0.761,493 0.96,494 0.851,495 0.723,496 0.729,497 1.016,498 1.261,499 1.12,500 1.149,501 0.914,502 1.037,503 0.835,504 1.233,505 1.181,506 1.405,507 0.737,508 1.299,509 1.267,510 0.889,511 1.207,512 1.014,513 1.473,514 1.085,515 0.545,516 1.001,517 1.193,518 1.243,519 0.562,520 1.067,521 0.858,522 1.13,523 1.031,524 1.125,525 0.752,526 0.96,527 1.009,528 1.083,529 0.913,530 0.988,531 0.972,532 0.937,533 5,534 0.107,535 2.667,536 1.91,537 1.463,538 0.552,539 0.375,540 0.234,541 0.263,542 0.218,543 5612,544 17347,545 2.041,546 42.5,548 11,549 1,551 5,555 1.654,556 1.89,557 3.297,558 2.761,559 1,560 1,562 1,564 71.177,565 1.779,566 3.863,567 4.415,568 4.684,569 4.734,570 4.784,571 2.699,572 4.263,573 4.498,574 3.428,575 867.165,576 7.728,577 9938.29,578 1,579 1,581 1,582 212.877,583 1.478,584 4.443,585 0.2,586 0.008,587 0.076,588 0.053,589 0.046,590 0.025,591 0.019,592 0.011,593 0.013,594 0.012,595 0.463,596 0.17,597 1,598 0.942,599 108.086,600 -0.176,601 -0.03,602 0.04,603 0.061,604 -0.271,605 0.065,606 -0.019,607 0.324,608 0.074,609 0.234,610 0.154,611 0.23,612 -0.052,613 -0.121,614 -0.089,615 -0.042,616 -0.077,617 -0.085,618 0.065,619 -0.144,620 -0.105,621 -0.285,622 0.131,623 -0.319,624 -0.265,625 0.089,626 -0.133,627 -0.005,628 -0.396,629 -0.114,630 0.072,631 -0.106,632 0.005,633 -0.053,634 0.083,635 0.055,636 -0.027,637 -0.183,638 0.016,639 -0.081,640 0.091,641 0.066,642 -0.012,643 -0.139,644 -0.013,645 -0.091,646 -0.007,647 0.023,648 1.504,649 1.958,650 0.652,651 17.716,652 1.014,653 1.133,654 2.25,655 5.06,656 0.679,657 3.258,658 3.584,659 3.871,660 4.143,661 4.277,662 4.317,663 4.331,664 4.394,665 4.454,666 4.511,667 5.893,668 0.647,669 331.44,670 3.258,671 4.796,672 5.652,673 6.538,674 7.409,675 8.299,676 9.175,677 10.066,678 10.945,679 11.837,680 12.5,684 2,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,716 2,718 40,719 16,720 1,721 25,723 42,724 15,725 12,726 3,727 3,729 3,730 4,741 12,742 3,753 1,754 1,757 17,758 6,759 5,760 8,761 1,764 5,769 0.667,770 2,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 2,810 23,811 2,816 1,818 2,819 1,829 5,834 2,836 12.167,837 7.65,838 5.194,839 1.957,840 3.126,841 1.446,842 0.998,843 4.726,844 10.131,845 3.526,846 4.186,847 4.825,848 5.443,849 5.91,850 6.177,851 6.435,852 6.759,853 6.888,854 7.143,855 0.857,856 36,857 8.404,859 3.473,860 7.768,861 15.851,863 12.531,865 2.268,866 52.167,870 141.253,871 116.1,872 116.151,874 22,876 32.22,877 83.88,878 163.253,879 116.151,880 21.766,881 0.9,882 103.271,883 35.286,884 56.581,885 15.998,886 161.702,888 141.253,889 200.031,890 22,891 32.22,893 141.253,894 22,897 21.3,898 145.161,899 33.571,900 32.22,901 141.253,902 138.151,903 116.1,906 141.253,907 56.858,908 59.242,909 16.786,910 121.365,911 141.253,912 138.151,913 116.1,915 0.578,916 0.354,917 0.199,918 0.099,919 17,920 8,921 0.119,922 5,923 1,924 1.133,925 3.499,926 180.865,927 0.133,928 15,929 104.042,930 1,933 16.079,934 6.761,935 3.278,936 1.463,937 121.365,938 7.687,939 8.166,940 3.078,943 4.043,945 82.58,946 395.504,947 33,956 40.542,957 45.322,958 0.334,959 0.726,960 0.83,961 0.88,962 0.89,963 0.899,964 4.754,965 0.887,966 5.645,967 4.122,968 4.263,969 4.871,970 3.234,971 6.472,972 4.113,973 5.984,974 0.77,975 7.216,976 2.133,977 3.892,978 4.808,980 7.416,981 3.711,982 7.312,983 0.542,984 8.884,985 1.72,986 5.872,987 7.177,988 5.449,989 10.51,990 5.614,991 8.68,992 0.325,993 10.609,994 1.067,995 6.312,996 7.943,998 12.294,999 6.03,1000 10.079,1001 -0.213,1002 12.372,1003 0.442,1004 7.768,1005 9.795,1006 7.807,1007 14.917,1008 7.431,1009 11.5,1010 -0.405,1011 14.162,1012 -0.511,1013 8.585,1014 10.955,1016 17.059,1017 8.226,1018 12.94,1019 -0.542,1020 15.972,1021 -0.895,1022 9.839,1023 12.603,1024 10.177,1025 19.527,1026 9.438,1027 3.188,1028 -0.786,1029 17.8,1030 -1.234,1031 10.833,1032 13.952,1034 21.819,1035 10.407,1036 2.898,1037 11.108,1038 19.64,1039 -1.997,1040 12.01,1041 15.518,1042 12.548,1043 24.236,1044 11.549,1045 2.374,1046 9.124,1047 21.492,1048 4.608,1049 13.084,1050 16.957,1052 26.59,1053 12.595,1054 2.219,1055 6.836,1056 23.353,1057 3.909,1058 14.235,1059 18.492,1060 14.919,1061 28.992,1062 13.713,1063 1.98,1064 6.498,1065 25.222,1066 3.158,1067 15.346,1068 19.973,1070 31.373,1071 14.795,1072 1.714,1073 5.79,1074 27.097,1075 2.862,1076 16.489,1077 21.496,1078 17.29,1079 33.772,1080 15.906,1081 1.609,1082 4.96,1083 28.978,1084 2.785,1085 17.618,1086 22.999,1088 36.165,1089 17.004,1090 5527,1091 9828,1092 16.414,1093 27.154,1094 37.01,1095 40.553,1096 39.13,1097 36.914,1098 37.012,1099 49.479,1100 9.985,1101 107.603,1102 34.01,1103 5.477,1104 6.439,1105 6.334,1106 5.279,1107 5.188,1108 7.608,1109 6.545,1110 17.998,1111 5.078,1112 12.262,1113 1.48,1114 1.622,1115 1.565,1116 1.477,1117 1.48,1118 1.979,1119 0.399,1120 4.304,1121 1.36,1122 4.106,1123 4.151,1124 4.129,1125 3.986,1126 5.321,1127 3.996,1128 3.902,1129 3.911,1130 3.956,1131 3.833,1132 4.981,1133 3.827,1134 3.446,1135 3.523,1136 3.555,1137 3.273,1138 4.926,1139 3.259,1140 3.268,1141 3.324,1142 3.3,1143 3.054,1144 4.767,1145 3.047,1146 3.247,1147 3.314,1148 3.051,1149 2.952,1150 4.496,1151 2.96,1152 3.118,1153 3.229,1154 2.993,1155 2.872,1156 4.3,1157 2.862,1158 3.018,1159 3.113,1160 2.928,1161 2.751,1162 4.102,1163 2.766,1164 2.778,1165 2.853,1166 2.59,1167 2.637,1168 3.787,1169 2.615,1170 0.186,1171 0.178,1172 0.271,1173 0.166,1174 0.128,1175 4.638,1176 0.184,1177 4.439,1178 0.131,1179 6.78,1180 0.444,1181 4.153,1182 0.123,1183 3.188,1184 4.608,1185 3.272,1186 11.108,1187 3.078,1188 1.877,1189 1.867,1190 1.938,1191 2.009,1192 1.127,1193 1.979,1194 1.815,1195 1.781,1196 1.86,1197 1.961,1198 1.01,1199 1.952,1200 1.541,1201 1.485,1202 1.677,1203 1.738,1204 0.73,1205 1.736,1206 1.206,1207 1.146,1208 1.576,1209 1.524,1210 0.574,1211 1.539,1212 1.191,1213 1.115,1214 1.556,1215 1.49,1216 0.572,1217 1.517,1218 1.069,1219 0.978,1220 1.302,1221 1.396,1222 0.358,1223 1.385,1224 0.948,1225 0.851,1226 1.25,1227 1.32,1228 0.164,1229 1.323,1230 0.818,1231 0.744,1232 1.099,1233 1.005,1235 1.049,1236 3.932,1238 5.252,1239 2.398,1240 6.772,1241 4.727,1242 8.387,1243 6.843,1244 10.053,1246 3.236,1250 11.563,1252 0.715,1254 10.56,1255 1.657,1262 25.885,1263 71.177,1264 154.513,1265 176.612,1266 187.367,1267 189.367,1268 191.367,1269 30.729,1270 7.006,1271 112.07,1272 137.37,1273 17,1274 12.367,1275 4.087,1276 3.17,1277 36.998,1278 83,1279 75,1280 0.224,1281 165.078,1282 270.89,1283 394.551,1284 9760,1286 16.397,1287 0.713,1288 0.592,1289 16.751,1290 13.607,1291 11.118,1292 0.445,1293 0.314,1294 6.794,1295 10.066,1296 6.489,1297 5.424,1298 11.572,1299 7.844,1300 9.822,1301 0.281,1302 0.167,1303 10.399,1304 5.859,1305 8.376,1306 0.178,1307 0.095,1308 9.034,1309 4.45,1310 7.317,1311 0.118,1312 0.052,1313 8.008,1314 3.23,1315 5.343,1316 0.075,1317 0.032,1318 6.18,1319 2.238,1320 0.353,1321 75.326,1322 0.247,1323 22.584,1324 0.61,1325 120,1326 380.579,1327 156.199,1328 384.894,1329 528.42,1330 362,1331 142,1332 377.444,1333 174.124,1334 396.84,1335 578.6,1336 369,1337 4.777}
{0 CHEMBL17453,1 1.642,2 9.375,3 1.684,4 2.836,5 95.389,6 7.464,7 0.615,8 3.905,9 4.042,10 3.463,11 3.318,12 5.083,13 3.337,14 4.396,15 4.587,16 3.808,17 3.681,18 5.518,19 3.687,20 4.499,21 4.663,22 3.884,23 3.829,24 5.592,25 3.813,26 4.689,27 4.892,28 3.89,29 3.915,30 5.767,31 3.851,32 4.819,33 5.069,34 3.702,35 3.907,36 5.792,37 3.802,38 4.748,39 5.013,40 3.6,41 3.815,42 5.619,43 3.698,44 4.632,45 4.892,46 3.56,47 3.673,48 5.603,49 3.589,50 4.507,51 4.774,52 3.499,53 3.538,54 5.522,55 3.451,56 0.093,57 0.682,58 9.437,59 3.17,60 11.977,61 4.601,62 0.398,63 0.996,64 17.642,65 5.426,66 29.794,67 7.617,68 0.268,69 1.157,70 18.185,71 5.961,72 17.468,73 8.744,74 0.406,75 1.284,76 23.184,77 7.942,78 33.354,79 11.521,80 0.672,81 1.285,82 28.851,83 7.998,84 52.329,85 12.338,86 0.409,87 1.134,88 27.372,89 8.37,90 34.642,91 12.816,92 0.513,93 1.002,94 24.725,95 6.753,96 43.766,97 10.392,98 0.465,99 0.885,100 21.717,101 6.018,102 36.699,103 9.662,104 30,105 37,106 0.285,107 0.663,108 0.787,109 0.829,110 0.845,111 0.869,112 3.229,113 0.848,114 -2.98,115 -2.98,116 -2.88,119 36.4,124 3,125 1,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 2,169 1,170 7,172 3,173 4,175 3,178 1,180 1,181 1,182 7,187 1,189 1,191 1,192 1,193 1,195 1,196 3,197 3,198 1,200 4,201 1,204 1,205 1,206 3,207 1,209 1,210 1,212 1,215 2,218 1,221 2,226 1,229 2,234 3,236 1,237 2,239 2,241 1,243 1,245 2,246 2,248 1,249 2,251 2,256 1,259 2,260 2,262 1,263 1,265 2,270 2,273 746,274 16.118,275 16.118,276 16.118,277 16.118,278 16.118,279 14.192,280 23.409,281 9.239,282 16.801,283 12.681,284 12.681,285 12.681,286 12.681,287 12.681,288 9.629,289 33.886,290 4.193,291 13.596,292 3.817,293 1.646,294 0.932,295 0.688,296 0.597,297 0.461,298 3.905,300 1,301 1,302 1,303 475,304 3.162,306 50.401,307 140.607,310 94.772,314 1.292,315 20.414,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 53,327 225,328 4.642,329 3.354,330 6.788,331 4.168,332 3.203,333 4.609,334 0.916,335 11.142,336 3.095,337 4.333,338 3.201,339 6.467,340 3.955,341 3.006,342 3.954,343 0.86,344 10.02,345 2.848,346 3.725,347 2.732,348 5.376,349 3.322,350 2.391,351 3.161,352 0.86,353 6.901,354 2.223,355 3.578,356 2.588,357 5.234,358 3.183,359 2.261,360 2.892,361 0.172,362 6.529,363 2.077,364 3.408,365 2.33,366 5.063,367 2.93,368 2.018,369 2.788,371 5.81,372 1.835,373 3.237,374 2.066,375 5.028,376 2.897,377 1.977,378 2.394,380 5.7,381 1.816,382 2.961,383 1.842,384 4.701,385 2.567,386 1.613,387 2.117,389 4.703,390 1.532,391 2.395,392 1.321,393 3.834,394 1.986,395 1.017,396 1.361,398 2.674,399 0.984,400 2.249,401 1.099,402 3.587,403 1.745,404 0.818,405 1.152,407 2.065,408 0.756,409 1.873,410 0.913,411 3.047,412 1.599,413 0.74,414 0.814,415 1.261,416 0.63,417 1.449,418 0.858,419 2.805,420 1.182,421 0.328,422 0.36,423 0.444,424 0.278,425 1.169,426 0.201,427 2.672,428 0.837,429 -0.097,430 -0.115,431 -0.251,432 -0.09,433 0.96,434 -0.025,435 2.551,436 0.529,437 -0.389,438 -0.503,439 -0.871,440 -0.355,441 0.758,442 -0.264,443 2.275,444 0.397,445 -0.511,446 -0.602,448 -1.089,449 -0.456,450 0.618,451 -0.377,452 2.176,453 0.289,454 -0.626,455 -0.72,457 -1.505,458 -0.571,459 11.067,460 0.461,461 0.644,462 0.027,463 33.25,464 1.385,465 16.5,466 0.688,467 16.75,468 0.698,469 17.322,470 0.722,471 26.733,472 0.608,473 24.911,474 1.038,475 6.928,476 0.289,477 4.6,478 0.192,479 0.208,481 0.398,485 1.083,486 1.517,487 0.826,488 1.178,489 1.224,490 0.968,491 1.222,492 0.791,493 0.772,494 0.686,495 0.703,496 0.659,497 1.074,498 1.423,499 0.994,500 1.215,501 0.929,502 1.106,503 0.746,504 1.213,505 1.019,506 1.321,507 0.687,508 1.249,509 1.071,510 0.842,511 1.234,512 1.01,513 1.231,514 1.123,515 0.915,516 1.012,517 0.951,518 1.069,519 0.695,520 1.033,521 1.183,522 0.856,523 0.989,524 0.877,525 1.142,526 0.901,527 0.71,528 1.007,529 0.799,530 0.969,531 0.683,532 0.916,533 5.5,534 0.091,535 2.889,536 2.285,537 1.618,538 0.973,539 0.423,540 0.372,541 0.28,542 0.178,543 5783,544 16728,545 2.015,546 45.5,548 14,549 1,551 5,555 1.672,556 1.846,557 3.195,558 2.702,559 1,560 1,562 1,564 72.267,565 1.642,566 3.814,567 4.527,568 4.772,569 4.863,570 4.999,571 2.622,572 3.887,573 4.56,574 3.321,575 916.581,576 7.883,577 10602.1,579 1,581 1,582 240.215,583 1.528,584 4.493,585 0.212,586 0.01,587 0.078,588 0.059,589 0.044,590 0.034,591 0.016,592 0.014,593 0.012,594 0.01,595 0.488,596 0.17,597 1,598 0.961,599 112.838,600 -0.154,601 -0.234,602 0.036,603 -0.086,604 -0.251,605 0.008,606 -0.048,607 0.323,608 0.184,609 0.329,610 0.174,611 0.296,612 -0.125,613 -0.23,614 -0.106,615 -0.144,616 -0.116,617 -0.124,618 0.114,619 -0.116,620 -0.107,621 -0.272,622 0.124,623 -0.252,624 -0.096,625 0.151,626 -0.26,627 -0.054,628 -0.248,629 -0.163,630 -0.049,631 -0.121,632 0.028,633 -0.052,634 0.046,635 -0.005,636 -0.089,637 0.044,638 0.022,639 0.087,640 -0.108,641 0.077,642 0.243,643 -0.114,644 0.203,645 0.001,646 0.249,647 0.08,648 1.517,649 2.004,650 0.625,651 17.417,652 1.01,653 1.144,654 1.751,655 3.065,656 0.643,657 3.296,658 3.638,659 3.932,660 4.22,661 4.382,662 4.454,663 4.466,664 4.511,665 4.543,666 4.533,667 5.559,668 0.619,669 328.42,670 3.296,671 4.844,672 5.707,673 6.603,674 7.483,675 8.383,676 9.268,677 10.17,678 11.058,679 11.96,680 13.6,684 2,686 1,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,714 1,716 2,718 44,719 16,720 1,721 26,723 46,724 16,725 12,726 3,727 3,729 3,730 4,741 12,742 4,753 1,754 1,757 20,758 7,759 5,760 8,764 6,769 0.667,770 2,776 1,777 1,780 1,781 2,784 1,802 2,806 3,810 24,811 2,816 1,818 2,821 1,829 4.5,834 2,836 13,837 8.683,838 5.389,839 2.182,840 3.148,841 1.446,842 0.988,843 4.684,844 10.206,845 3.555,846 4.216,847 4.857,848 5.481,849 5.96,850 6.245,851 6.517,852 6.826,853 6.959,854 7.174,855 1,856 39,857 8.77,859 3.609,860 7.764,861 16.526,863 12.981,865 2.264,866 54.333,870 176.567,871 94.689,872 119.275,874 22,877 94.689,878 198.566,879 119.275,880 30.162,881 2.106,882 103.271,883 35.286,884 60.912,885 15.998,886 164.795,888 176.567,889 213.964,890 22,893 176.567,894 22,897 22.506,898 157.887,899 33.571,901 176.567,902 141.275,903 94.689,906 176.567,907 27.05,908 70.763,909 16.786,910 121.365,911 176.567,912 141.275,913 94.689,915 0.582,916 0.357,917 0.2,918 0.105,919 18,920 9,921 0.109,922 5,923 1,924 1.133,925 3.482,926 197.003,927 0.133,928 15,929 110.039,933 16.668,934 6.745,935 3.232,936 1.402,937 124.49,938 7.512,939 8.203,940 3.084,943 3.894,945 82.58,946 412.53,947 34,956 44.451,957 50.315,958 0.301,959 0.699,960 0.829,961 0.874,962 0.891,963 0.916,964 4.796,965 1.017,966 5.714,967 4.703,968 4.317,969 4.902,970 1.698,971 6.561,972 4.192,973 6.031,974 0.818,975 7.299,976 2.674,977 4.007,978 4.856,979 0.325,980 7.538,981 3.839,982 7.362,983 0.74,984 8.982,985 2.065,986 5.948,987 7.201,988 1.422,989 10.648,990 5.728,991 8.732,992 0.328,993 10.72,994 1.261,995 6.431,996 7.976,997 0.393,998 12.449,999 6.175,1000 10.133,1001 -0.097,1002 12.495,1003 0.444,1004 7.868,1005 9.818,1006 1.2,1007 15.09,1008 7.573,1009 11.556,1010 -0.389,1011 14.296,1012 -0.251,1013 8.715,1014 10.981,1015 0.384,1016 17.24,1017 8.386,1018 12.998,1019 -0.511,1020 16.118,1021 -0.871,1022 9.963,1023 12.625,1024 1.01,1025 19.719,1026 9.6,1027 3.203,1028 -0.626,1029 17.955,1030 -1.089,1031 10.976,1032 13.976,1033 0.351,1034 22.012,1035 10.581,1036 3.006,1037 11.142,1038 19.805,1039 -1.505,1040 12.154,1041 15.539,1042 0.845,1043 24.434,1044 11.726,1045 2.391,1046 10.02,1047 21.665,1048 4.609,1049 13.242,1050 16.979,1051 0.312,1052 26.785,1053 12.78,1054 2.261,1055 6.901,1056 23.533,1057 3.954,1058 14.396,1059 18.511,1060 0.702,1061 29.186,1062 13.901,1063 2.018,1064 6.529,1065 25.408,1066 3.161,1067 15.516,1068 19.992,1069 0.273,1070 31.562,1071 14.988,1072 1.977,1073 5.81,1074 27.288,1075 2.892,1076 16.664,1077 21.514,1078 0.579,1079 33.958,1080 16.102,1081 1.613,1082 5.7,1083 29.173,1084 2.788,1085 17.799,1086 23.016,1087 0.236,1088 36.345,1089 17.203,1090 5741,1091 9874,1092 16.819,1093 28.273,1094 38.932,1095 39.429,1096 41.324,1097 38.675,1098 38.745,1099 51.203,1100 5.618,1101 114.498,1102 36.148,1103 5.491,1104 5.354,1105 6.357,1106 5.241,1107 5.203,1108 7.609,1109 1.776,1110 18.08,1111 5.095,1112 13.699,1113 1.497,1114 1.516,1115 1.589,1116 1.487,1117 1.49,1118 1.969,1119 0.216,1120 4.404,1121 1.39,1122 4.114,1123 4.161,1124 4.086,1125 3.976,1126 5.322,1127 3.998,1128 3.923,1129 3.945,1130 3.879,1131 3.82,1132 4.982,1133 3.831,1134 3.493,1135 3.571,1136 3.406,1137 3.262,1138 4.921,1139 3.288,1140 3.346,1141 3.431,1142 3.229,1143 3.07,1144 4.768,1145 3.099,1146 3.296,1147 3.359,1148 3.138,1149 3.004,1150 4.603,1151 3.024,1152 3.139,1153 3.23,1154 2.971,1155 2.865,1156 4.24,1157 2.853,1158 3.094,1159 3.215,1160 2.886,1161 2.772,1162 4.102,1163 2.811,1164 2.85,1165 2.972,1166 2.615,1167 2.643,1168 4.019,1169 2.62,1170 0.179,1171 0.129,1172 0.261,1173 0.16,1174 0.123,1175 4.642,1176 0.177,1177 3.354,1178 0.035,1179 6.788,1180 0.429,1181 4.168,1182 0.119,1183 3.203,1184 4.609,1185 0.916,1186 11.142,1187 3.095,1188 1.899,1189 1.876,1190 1.991,1191 2.036,1192 1.161,1193 2.02,1194 1.815,1195 1.781,1196 1.867,1197 1.992,1198 1.01,1199 1.958,1200 1.564,1201 1.499,1202 1.73,1203 1.779,1204 0.765,1205 1.774,1206 1.286,1207 1.208,1208 1.593,1209 1.584,1210 0.607,1211 1.583,1212 1.226,1213 1.153,1214 1.568,1215 1.551,1216 0.584,1217 1.558,1218 1.126,1219 1.032,1220 1.528,1221 1.424,1222 0.554,1223 1.463,1224 1.027,1225 0.929,1226 1.296,1227 1.382,1228 0.309,1229 1.367,1230 0.898,1231 0.773,1232 1.248,1233 1.273,1234 0.161,1235 1.285,1236 3.97,1238 5.303,1239 2.398,1240 6.834,1241 4.727,1242 8.46,1243 6.843,1244 10.136,1246 5.234,1250 11.637,1252 0.584,1254 10.741,1257 2.041,1262 27.246,1263 72.267,1264 167.797,1265 199.195,1266 209.95,1267 213.95,1268 219.95,1269 33.058,1270 7.058,1271 115.31,1272 115.31,1273 17,1274 12.483,1275 4.087,1276 3.17,1277 39.161,1278 81,1279 74,1280 0.244,1281 170.334,1282 280.68,1283 407.375,1284 10155,1286 17.267,1287 0.719,1288 0.576,1289 17.267,1290 13.829,1291 11.528,1292 0.443,1293 0.283,1294 7.169,1295 10.849,1296 6.909,1297 5.81,1298 11.528,1299 7.353,1300 10.361,1301 0.28,1302 0.146,1303 10.361,1304 5.398,1305 8.797,1306 0.176,1307 0.077,1308 8.797,1309 3.863,1310 7.668,1311 0.114,1312 0.04,1313 7.668,1314 2.705,1315 5.702,1316 0.072,1317 0.021,1318 5.702,1319 1.685,1320 0.375,1321 73.909,1322 0.244,1323 23.071,1324 0.692,1325 126,1326 391.364,1327 141.998,1328 374.983,1329 517.96,1330 352,1331 150,1332 388.851,1333 166.194,1334 397.079,1335 577.15,1336 368,1337 4.921}
{0 CHEMBL174617,1 1.58,2 12.292,3 2.752,4 7.576,5 94.534,6 7.676,7 0.692,8 3.846,9 3.965,10 3.431,11 3.362,12 5.041,13 3.364,14 4.303,15 4.45,16 3.732,17 3.688,18 5.487,19 3.669,20 4.488,21 4.664,22 3.733,23 3.752,24 5.621,25 3.705,26 4.518,27 4.735,28 3.498,29 3.647,30 5.542,31 3.558,32 4.435,33 4.694,34 3.391,35 3.573,36 5.399,37 3.479,38 4.263,39 4.473,40 3.427,41 3.566,42 5.292,43 3.484,44 4.247,45 4.46,46 3.348,47 3.544,48 5.302,49 3.448,50 4.275,51 4.55,52 3.131,53 3.366,54 5.183,55 3.243,56 0.058,57 0.62,58 8.2,59 3.486,60 11.495,61 4.379,62 0.229,63 0.913,64 14.39,65 5.923,66 24.372,67 7.306,68 0.326,69 1.03,70 18.322,71 6.793,72 32.043,73 8.87,74 0.33,75 0.988,76 20.661,77 7.351,78 39.961,79 9.628,80 0.358,81 0.92,82 20.005,83 6.388,84 39.906,85 9.02,86 0.281,87 0.817,88 15.47,89 5.976,90 23.809,91 8.103,92 0.127,93 0.859,94 14.325,95 5.422,96 23.106,97 7.626,98 0.211,99 0.773,100 17.184,101 5.735,102 26.853,103 8.322,104 5,105 34,106 0.276,107 0.568,108 0.67,109 0.78,110 0.825,111 0.842,112 3.227,113 0.862,114 -4,115 -3.96,116 -3.75,119 42.9,125 2,139 9,140 2,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 4,172 3,173 3,178 10,181 2,182 6,184 1,185 1,189 5,193 5,195 1,196 1,197 1,200 2,201 2,205 1,207 3,209 1,210 1,212 1,215 6,218 1,220 1,221 4,226 2,229 9,231 2,234 4,239 3,241 8,243 3,246 1,251 2,254 4,256 2,259 2,260 2,262 1,263 1,265 2,268 1,270 2,273 834,274 16.361,275 16.361,276 16.361,277 16.361,278 16.361,279 14.058,280 19.645,281 9.937,282 16.775,283 12.843,284 12.843,285 12.843,286 12.843,287 12.843,288 9.519,289 24.629,290 4.778,291 13.533,292 3.812,293 2.137,294 1.554,295 0.923,296 0.667,297 0.571,298 3.914,300 1,301 1,302 1,303 632,304 2.646,307 266.493,314 2.184,315 18.597,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 52,327 295,328 4.233,329 3.136,330 6.06,331 3.789,332 2.861,333 3.881,334 1.151,335 8.712,336 2.654,337 4.043,338 2.998,339 5.507,340 3.634,341 2.668,342 3.639,343 1.151,344 7.432,345 2.575,346 3.888,347 2.743,348 5.337,349 3.492,350 2.501,351 3.44,353 6.959,354 2.48,355 3.512,356 2.52,357 5.106,358 3.138,359 2.203,360 2.813,362 6.309,363 2.057,364 3.422,365 2.289,366 4.951,367 2.998,368 2.077,369 2.723,371 5.788,372 1.899,373 2.917,374 1.75,375 4.172,376 2.488,377 1.504,378 2.086,380 3.771,381 1.48,382 2.848,383 1.634,384 3.64,385 2.382,386 1.468,387 1.979,389 3.15,390 1.334,391 2.5,392 1.232,393 3.414,394 2,395 1,396 1.5,398 2.275,399 1,400 2.5,401 1.001,402 3.309,403 2,404 1,405 1.5,407 2.136,408 1,409 2.067,410 1,411 3.247,412 1.762,413 0.871,414 1.009,415 1.996,416 0.768,417 1.824,418 1,419 3.074,420 1.506,421 0.616,422 0.721,423 1.429,424 0.543,425 1.304,426 0.408,427 2.56,428 0.969,429 0.051,430 0.061,431 0.119,432 0.046,433 0.944,434 0.012,435 2.359,436 0.587,437 -0.35,438 -0.427,439 -0.812,440 -0.325,441 0.795,442 -0.314,443 2.223,444 0.392,445 -0.515,446 -0.621,448 -1.242,449 -0.466,450 0.642,451 -0.422,452 2,453 0.245,454 -0.717,455 -0.905,457 -1.576,458 -0.688,459 11.267,460 0.469,461 0.468,462 0.02,463 35.5,464 1.479,465 20,466 0.833,467 15.5,468 0.646,469 14.08,470 0.587,471 25.333,472 0.603,473 23.999,474 1,475 7.345,476 0.306,477 4.358,478 0.182,479 0.071,481 0.266,485 1.016,486 1.159,487 0.797,488 0.998,489 1.229,490 0.871,491 1.131,492 0.936,493 0.905,494 1.038,495 0.76,496 0.969,497 1.116,498 1.128,499 1.077,500 1.194,501 0.86,502 1.147,503 1.355,504 1.023,505 1.163,506 1.157,507 1.046,508 1.153,509 1.094,510 0.665,511 0.972,512 0.728,513 1.102,514 0.804,515 0.787,516 0.95,517 0.876,518 0.902,519 0.659,520 0.919,521 0.7,522 1.214,523 1.117,524 1.225,525 1.024,526 1.226,527 0.845,528 0.902,529 0.903,530 0.922,531 0.88,532 0.919,533 4.5,534 0.07,535 2.222,536 0.625,537 0.987,538 0.583,539 0.162,540 0.269,541 0.233,542 0.05,543 7600,544 21109,545 2.089,546 42.9,548 13,550 1,551 4,555 1.659,556 2,557 3.564,558 1.777,559 1,560 1,562 1,564 66.36,565 1.58,566 3.255,567 3.838,568 4.47,569 4.726,570 4.821,571 3.09,572 4.022,573 4.556,574 3.75,575 1035.09,576 7.812,577 13100.2,578 1,579 1,581 1,582 226.477,583 1.189,584 4.536,585 0.173,586 0.006,587 0.065,588 0.02,589 0.041,590 0.025,591 0.006,592 0.012,593 0.014,594 0.004,595 0.366,596 0.17,597 1,598 0.49,599 118.071,600 -0.118,601 -0.001,602 0.024,603 0.013,604 -0.269,605 0.048,606 0.026,607 0.123,608 -0.005,609 -0.032,610 0.114,611 -0.036,612 0.066,613 -0.117,614 -0.135,615 -0.21,616 0.062,617 -0.208,618 -0.112,619 -0.111,620 -0.155,621 -0.169,622 -0.041,623 -0.178,624 -0.081,625 0.27,626 0.055,627 0.235,628 -0.083,629 0.188,630 0.099,631 -0.008,632 0.073,633 0.132,634 0.101,635 0.098,636 -0.084,637 -0.174,638 -0.219,639 -0.237,640 -0.169,641 -0.244,642 -0.016,643 -0.011,644 0.124,645 0.061,646 0.004,647 0.111,648 1.542,649 2.247,650 0.75,651 24.813,652 1.006,653 1.127,654 2.774,655 7.693,656 0.673,657 3.296,658 3.555,659 3.738,660 3.892,661 4.094,662 3.989,663 3.951,664 4.094,665 4.22,666 4.205,667 7.197,668 0.648,669 322.4,670 3.296,671 4.796,672 5.602,673 6.431,674 7.249,675 8.079,676 8.901,677 9.732,678 10.556,679 11.387,680 9.5,684 2,690 2,695 10,696 2,700 6,702 18,711 2,716 2,718 42,719 18,720 2,721 26,723 44,724 18,725 16,726 3,727 9,729 3,730 3,741 16,742 2,753 1,754 1,757 18,758 6,759 4,760 6,764 4,769 1,770 2,776 1,781 3,802 3,810 24,811 2,816 2,818 2,829 4.8,834 2,836 12,837 7.233,838 5.361,839 2.196,840 3.106,841 1.452,842 0.99,843 5.259,844 9.978,845 3.584,846 4.151,847 4.647,848 5.114,849 5.622,850 5.495,851 5.58,852 5.983,853 6.442,854 6.735,855 1,856 32,857 8.775,859 3.59,860 7.75,861 16.575,863 12.924,865 2.25,866 54,869 1,870 164.795,871 124.603,872 99.365,874 22,877 124.603,878 186.795,879 99.365,881 9.185,882 151.081,883 45.342,884 47.905,885 4.227,886 153.024,888 164.795,889 223.969,890 22,893 164.795,894 22,897 20.131,898 170.267,899 33.571,901 164.795,902 121.365,903 124.603,906 164.795,907 30.27,908 94.334,910 121.365,911 164.795,912 121.365,913 124.603,915 0.57,916 0.317,917 0.159,918 0.088,919 15,920 6,921 0.136,922 6,924 1,925 3.849,926 177.367,928 18,929 102.039,933 16.242,934 7.771,935 4.685,937 121.365,938 19.185,939 7.714,943 3.679,945 65.794,946 410.764,947 35,956 42.247,957 47.318,958 0.293,959 0.604,960 0.712,961 0.829,962 0.876,963 0.894,964 4.766,965 1,966 5.541,967 3.15,968 4.234,969 4.836,970 1.84,971 6.232,972 4.132,973 5.945,974 1,975 7.026,976 2.275,977 3.611,978 4.407,980 6.862,981 3.461,982 7.214,983 0.871,984 8.601,985 2.136,986 5.72,987 6.959,988 2.081,989 9.869,990 5.521,991 8.515,992 0.616,993 10.23,994 1.996,995 5.889,996 7.296,998 11.296,999 5.629,1000 9.843,1001 0.051,1002 11.893,1003 1.429,1004 7.439,1005 9.313,1006 2.331,1007 13.78,1008 7.143,1009 11.189,1010 -0.35,1011 13.578,1012 0.119,1013 7.996,1014 10.033,1016 15.558,1017 7.63,1018 12.549,1019 -0.515,1020 15.28,1021 -0.812,1022 9.284,1023 11.783,1024 2.588,1025 17.843,1026 8.885,1027 2.861,1028 -0.717,1029 16.994,1030 -1.242,1031 10.05,1032 12.725,1034 19.795,1035 9.576,1036 2.668,1037 8.712,1038 18.719,1039 -1.576,1040 11.206,1041 14.32,1042 2.851,1043 21.999,1044 10.696,1045 2.501,1046 7.432,1047 20.451,1048 3.881,1049 12.089,1050 15.402,1052 24.044,1053 11.499,1054 2.203,1055 6.959,1056 22.19,1057 3.639,1058 13.178,1059 16.9,1060 3.117,1061 26.215,1062 12.546,1063 2.077,1064 6.309,1065 23.936,1066 3.44,1067 14.127,1068 18.072,1070 28.309,1071 13.415,1072 1.504,1073 5.788,1074 25.686,1075 2.813,1076 15.183,1077 19.51,1078 3.387,1079 30.469,1080 14.421,1081 1.468,1082 3.771,1083 27.442,1084 2.723,1085 16.169,1086 20.741,1088 32.591,1089 15.327,1090 7279,1091 12269,1092 17.682,1093 28.262,1094 37.892,1095 38.255,1096 38.096,1097 37.609,1098 37.641,1099 50.703,1100 4.603,1101 100.151,1102 35.671,1103 5.079,1104 5.136,1105 5.862,1106 4.861,1107 4.861,1108 6.881,1109 2.302,1110 14.953,1111 4.654,1112 9.117,1113 1.457,1114 1.471,1115 1.465,1116 1.446,1117 1.448,1118 1.95,1119 0.177,1120 3.852,1121 1.372,1122 3.968,1123 3.993,1124 3.908,1125 3.883,1126 5.305,1127 3.883,1128 3.878,1129 3.913,1130 3.82,1131 3.812,1132 4.985,1133 3.805,1134 3.823,1135 3.868,1136 3.776,1137 3.64,1138 4.882,1139 3.676,1140 3.308,1141 3.346,1142 3.206,1143 3.098,1144 4.727,1145 3.114,1146 3.146,1147 3.226,1148 3.022,1149 2.936,1150 4.586,1151 2.94,1152 3.03,1153 3.134,1154 2.875,1155 2.749,1156 4.318,1157 2.778,1158 2.872,1159 2.98,1160 2.73,1161 2.735,1162 4.126,1163 2.715,1164 2.854,1165 2.925,1166 2.687,1167 2.735,1168 3.74,1169 2.715,1170 0.163,1171 0.121,1172 0.233,1173 0.146,1174 0.11,1175 4.233,1176 0.149,1177 3.136,1178 0.044,1179 6.06,1180 0.335,1181 3.789,1182 0.102,1183 2.861,1184 3.881,1185 1.151,1186 8.712,1187 2.654,1188 1.925,1189 1.902,1190 2.045,1191 2.03,1192 1.155,1193 2.032,1194 1.877,1195 1.851,1196 1.998,1197 1.98,1198 1.114,1199 1.981,1200 1.727,1201 1.683,1202 1.797,1203 1.928,1204 0.748,1205 1.906,1206 1.238,1207 1.198,1208 1.478,1209 1.494,1210 0.626,1211 1.484,1212 1.092,1213 1.032,1214 1.368,1215 1.384,1216 0.534,1217 1.375,1218 0.951,1219 0.846,1220 1.257,1221 1.3,1222 0.218,1223 1.308,1224 0.886,1225 0.821,1226 1.181,1227 1.14,1228 0.218,1229 1.15,1230 0.886,1231 0.821,1232 1.181,1233 1.062,1235 1.107,1236 3.97,1238 5.242,1240 6.703,1242 8.244,1244 9.821,1250 11.179,1252 0.895,1254 11.348,1262 27.203,1263 66.36,1264 136.729,1265 161.193,1266 187.722,1267 198.477,1268 202.477,1269 30.872,1270 6.872,1271 96.28,1272 96.28,1273 18,1274 11.96,1275 4.248,1276 3.322,1277 39.701,1278 105,1279 90,1280 0.183,1281 170.075,1282 288,1283 406.744,1284 9268,1286 16.778,1287 0.699,1288 0.544,1289 16.778,1290 13.053,1291 11.704,1292 0.45,1293 0.287,1294 7.352,1295 11.243,1296 7.199,1297 6.006,1298 11.704,1299 7.47,1300 10.201,1301 0.3,1302 0.152,1303 10.201,1304 5.185,1305 8.229,1306 0.201,1307 0.082,1308 8.229,1309 3.368,1310 6.363,1311 0.133,1312 0.044,1313 6.363,1314 2.093,1315 5.069,1316 0.086,1317 0.023,1318 5.069,1319 1.375,1320 0.299,1321 73.477,1322 0.238,1323 24.305,1324 0.468,1325 120,1326 367.386,1327 133.136,1328 355.613,1329 486.94,1330 334,1331 135,1332 358.881,1333 148.136,1334 364.38,1335 524.43,1336 341,1337 4.405}
{0 CHEMBL174633,1 1.429,2 7,3 1.875,4 3.517,5 66.711,6 7.143,7 0.706,8 3.489,9 3.639,10 3.007,11 3.021,12 4.662,13 2.995,14 3.934,15 4.126,16 3.329,17 3.365,18 5.078,19 3.306,20 4.117,21 4.326,22 3.315,23 3.461,24 5.142,25 3.384,26 4.197,27 4.436,28 3.194,29 3.424,30 5.247,31 3.302,32 4.226,33 4.514,34 3.025,35 3.319,36 5.215,37 3.187,38 4.056,39 4.353,40 2.872,41 3.141,42 5.013,43 3.004,44 3.823,45 4.126,46 2.488,47 2.858,48 4.751,49 2.688,50 3.4,51 3.724,52 1.776,53 2.347,54 4.272,55 2.125,56 0.044,57 0.471,58 6.434,59 2.328,60 8.713,61 3.407,62 0.137,63 0.692,64 10.608,65 4.245,66 16.708,67 6.022,68 0.106,69 0.794,70 13.064,71 4.384,72 13.935,73 6.636,74 0.146,75 0.801,76 14.627,77 5.042,78 23.929,79 7.601,80 0.188,81 0.759,82 16.04,83 4.504,84 32.404,85 7.272,86 0.132,87 0.626,88 13.569,89 4.075,90 24.164,91 6.504,92 0.101,93 0.475,94 10.779,95 3.277,96 18.867,97 5.227,98 0.076,99 0.285,100 7.179,101 2.116,102 14.615,103 3.411,104 10,105 23,106 0.274,107 0.629,108 0.73,109 0.804,110 0.822,111 0.822,112 2.853,113 0.898,114 -3.74,115 -3.7,116 -3.52,119 40,120 1,121 1,139 5,140 2,143 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 3,172 3,173 3,175 1,178 10,180 1,182 2,187 1,189 8,191 1,193 3,195 1,196 1,197 1,198 4,200 2,201 4,204 4,205 1,207 4,212 3,215 3,218 3,221 4,226 3,229 2,231 3,234 2,239 3,241 1,243 3,251 2,256 2,265 1,270 1,273 262,274 10.569,275 10.569,276 10.569,277 10.569,278 10.569,279 8.936,280 12.627,281 6.352,282 10.755,283 8.395,284 8.395,285 8.395,286 8.395,287 8.395,288 6.093,289 18.393,290 3.044,291 8.7,292 3.477,293 1.628,294 1.104,295 0.717,296 0.625,297 0.625,298 3.501,301 1,302 1,303 232,304 1.871,307 101.341,314 0.875,315 11.105,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 34,327 112,328 4.396,329 3.253,330 6.437,331 3.999,332 3.032,333 4.081,334 0.68,335 9.87,336 2.937,337 3.874,338 2.661,339 5.335,340 3.462,341 2.476,342 3.43,344 6.952,345 2.442,346 3.444,347 2.223,348 4.979,349 3.007,350 2.078,351 2.77,353 5.798,354 1.924,355 3.232,356 2.086,357 4.879,358 2.815,359 1.879,360 2.481,362 5.225,363 1.756,364 2.889,365 1.579,366 3.665,367 2.456,368 1.46,369 2.052,371 3.12,372 1.453,373 2.5,374 1,375 3.255,376 2,377 1,378 1.5,380 2.136,381 1,382 1.787,383 0.967,384 3.247,385 1.564,386 0.597,387 0.682,389 1.529,390 0.575,391 1,392 -0.127,393 2.653,394 0.592,395 -0.347,396 -0.445,398 -0.898,399 -0.319,400 0.939,401 -0.171,402 2.46,403 0.573,404 -0.392,405 -0.494,407 -0.958,408 -0.383,409 0.5,410 -0.363,411 1.59,412 0.237,413 -0.686,414 -0.756,415 -1.501,416 -0.635,417 0.466,418 -0.95,419 1.555,421 -1,422 -1.479,423 -2.347,424 -1,425 0.194,426 -1,427 1.468,428 -0.137,429 -1.13,430 -1.5,431 -2.861,432 -1.12,433 -0.231,434 -1.349,435 1.363,436 -0.568,437 -1.523,438 -1.988,439 -4.049,440 -1.388,441 -0.232,442 -1.396,443 1,444 -0.61,445 -1.532,446 -2.036,448 -4.493,449 -1.463,450 -0.5,451 -1.573,452 1,453 -0.92,454 -1.912,455 -2.298,457 -4.789,458 -1.877,459 7.6,460 0.475,461 0.421,462 0.026,463 23,464 1.438,465 13,466 0.813,467 10,468 0.625,469 9.455,470 0.591,471 17,472 0.567,473 13.787,474 0.862,475 4.649,476 0.291,477 3.015,478 0.188,479 0.171,481 0.329,485 1.188,486 1.16,487 0.894,488 0.926,489 1.377,490 0.88,491 0.338,492 0.926,493 0.742,494 1.006,495 0.376,496 0.94,497 1.208,498 1.179,499 1.108,500 1.108,501 1.027,502 1.097,503 0.856,504 1.184,505 1.133,506 1.272,507 0.811,508 1.244,509 1.387,510 0.9,511 1.115,512 0.886,513 1.415,514 0.952,515 1.049,516 0.941,517 0.92,518 0.88,519 0.99,520 0.883,521 1.005,522 1.003,523 1.013,524 1.011,525 0.928,526 1.012,527 1.072,528 0.894,529 1.115,530 1.008,531 1.222,532 1.057,533 3.5,535 1.556,536 1.188,537 1.036,538 0.292,539 0.204,540 0.167,541 0.037,542 0.016,543 1849,544 4855,545 1.993,546 46.7,547 2,548 5,551 4,552 3,555 1.552,556 1.846,557 2.813,558 2.137,560 1,561 1,562 1,564 42.884,565 1.429,566 3.279,567 3.803,568 4.19,569 4.282,570 4.282,571 2.186,572 3.031,573 3.975,574 2.889,575 346.668,576 6.696,577 2966.36,579 1,581 1,582 147.207,583 1.477,584 3.918,585 0.206,587 0.068,588 0.054,589 0.058,590 0.019,591 0.016,592 0.021,593 0.012,594 0.016,595 0.469,596 0.5,597 1,598 0.703,599 63.942,600 -0.206,601 0.058,602 -0.006,603 0.11,604 -0.328,605 0.083,606 0.502,607 0.176,608 0.166,609 0.038,610 0.36,611 0.055,612 -0.221,613 -0.094,614 -0.183,615 -0.118,616 -0.22,617 -0.141,618 0.066,619 -0.183,620 -0.193,621 -0.291,622 0.127,623 -0.278,624 -0.255,625 0.04,626 -0.116,627 0.027,628 -0.226,629 -0.018,630 -0.066,631 -0.053,632 0.077,633 0.061,634 -0.017,635 0.083,636 -0.063,637 -0.144,638 -0.016,639 -0.07,640 0.005,641 -0.043,642 -0.119,643 -0.085,644 -0.102,645 -0.086,646 -0.126,647 -0.091,648 1.438,649 1.839,650 0.75,651 8.422,652 0.994,653 1.136,654 2.509,655 6.293,656 0.661,657 2.89,658 3.178,659 3.367,660 3.584,661 3.714,662 3.584,663 3.434,664 3.434,665 3.367,666 3.045,667 4.186,668 0.624,669 214.3,670 2.89,671 4.394,672 5.209,673 6.066,674 6.899,675 7.76,676 8.6,677 9.463,678 10.306,679 11.169,680 13.3,684 2,690 2,695 5,696 2,700 5,702 12,711 2,718 30,719 12,720 1,721 17,723 31,724 12,725 10,726 1,727 5,729 2,730 2,734 1,739 1,741 10,742 2,754 1,757 14,758 4,759 4,760 4,764 4,769 1,776 1,781 2,802 2,806 1,810 16,811 2,816 1,836 8.667,837 5.483,838 3.556,839 1.603,840 2.256,841 1.389,842 0.99,843 2.949,844 8.059,845 3.178,846 3.784,847 4.29,848 4.814,849 5.293,850 5.265,851 5.34,852 5.719,853 6.019,854 6.099,855 0.8,856 22,857 5.842,859 2.37,860 7.74,861 11.087,863 8.672,865 2.24,866 35.833,867 0.002,870 117.711,871 72.096,872 99.365,877 72.096,878 117.711,879 99.365,880 8.825,881 2.535,882 113.176,883 33.571,884 9.128,885 4.227,886 117.711,888 117.711,889 171.461,893 117.711,897 16.016,898 121.875,899 33.571,901 117.711,902 99.365,903 72.096,906 117.711,907 15.889,908 56.206,910 99.365,911 117.711,912 99.365,913 72.096,915 0.577,916 0.326,917 0.177,918 0.092,919 11,920 5,921 0.065,922 2,924 1,925 2.814,926 103.958,928 12,929 60,933 10.742,934 4.393,935 2.443,937 99.365,938 10.085,939 8.092,943 3.667,945 65.794,946 289.172,947 23,956 29.825,957 34.069,958 0.291,959 0.668,960 0.775,961 0.854,962 0.873,963 0.873,964 4.369,965 -0.347,966 5.187,967 1.529,968 3.85,969 4.466,970 0.655,971 5.948,972 3.782,973 5.582,974 -0.392,975 6.718,976 -0.898,977 3.434,978 4.227,980 6.742,981 3.319,982 6.878,983 -0.686,984 8.348,985 -0.958,986 5.389,987 6.646,988 0.356,989 9.827,990 5.259,991 8.208,992 -1,993 10.037,994 -1.501,995 5.74,996 7.153,998 11.44,999 5.568,1000 9.566,1001 -1.13,1002 11.763,1003 -2.347,1004 7.207,1005 9.08,1006 0.18,1007 14.052,1008 7.021,1009 10.944,1010 -1.523,1011 13.516,1012 -2.861,1013 7.938,1014 9.972,1016 16.033,1017 7.714,1018 12.339,1019 -1.532,1020 15.289,1021 -4.049,1022 9.194,1023 11.66,1024 0.087,1025 18.461,1026 8.951,1027 3.032,1028 -1.912,1029 17.079,1030 -4.493,1031 10.116,1032 12.769,1034 20.611,1035 9.836,1036 2.476,1037 9.87,1038 18.882,1039 -4.789,1040 11.281,1041 14.327,1042 0.041,1043 22.962,1044 10.977,1045 2.078,1046 6.952,1047 20.696,1048 4.081,1049 12.298,1050 15.562,1052 25.188,1053 11.958,1054 1.879,1055 5.798,1056 22.518,1057 3.43,1058 13.425,1059 17.048,1060 0.019,1061 27.505,1062 13.057,1063 1.46,1064 5.225,1065 24.348,1066 2.77,1067 14.488,1068 18.355,1070 29.766,1071 14.084,1072 1,1073 3.12,1074 26.184,1075 2.481,1076 15.6,1077 19.803,1078 0.009,1079 32.068,1080 15.166,1081 0.597,1082 2.136,1083 28.024,1084 2.052,1085 16.685,1086 21.151,1088 34.344,1089 16.217,1090 1905,1091 3160,1092 11.038,1093 19.83,1094 25.303,1095 25.2,1096 25.714,1097 25.099,1098 25.042,1099 33.991,1100 1.36,1101 69.26,1102 24.172,1103 5.154,1104 5.253,1105 6.239,1106 5.069,1107 5.032,1108 7.081,1109 1.36,1110 16.704,1111 4.937,1112 7.703,1113 1.488,1114 1.482,1115 1.513,1116 1.476,1117 1.473,1118 1.999,1119 0.08,1120 4.074,1121 1.422,1122 3.978,1123 4.019,1124 3.926,1125 3.897,1126 5.284,1127 3.896,1128 3.807,1129 3.853,1130 3.75,1131 3.679,1132 4.979,1133 3.694,1134 3.217,1135 3.31,1136 3.092,1137 3.016,1138 4.748,1139 3.023,1140 3.171,1141 3.272,1142 2.991,1143 2.949,1144 4.447,1145 2.944,1146 2.977,1147 3.093,1148 2.8,1149 2.735,1150 3.858,1151 2.715,1152 2.854,1153 2.925,1154 2.687,1155 2.689,1156 3.778,1157 2.712,1158 2.564,1159 2.692,1160 2.306,1161 2.304,1162 3.674,1163 2.291,1164 2.392,1165 2.53,1166 2.108,1167 1.99,1168 3.399,1169 1.993,1170 0.259,1171 0.191,1172 0.379,1173 0.235,1174 0.178,1175 4.396,1176 0.24,1177 3.253,1178 0.04,1179 6.437,1180 0.581,1181 3.999,1182 0.173,1183 3.032,1184 4.081,1185 0.68,1186 9.87,1187 2.937,1188 1.946,1189 1.916,1190 2.063,1191 2.053,1192 1.218,1193 2.053,1194 1.763,1195 1.72,1196 1.877,1197 1.918,1198 0.941,1199 1.912,1200 1.17,1201 1.096,1202 1.513,1203 1.462,1204 0.62,1205 1.484,1206 1.164,1207 1.066,1208 1.403,1209 1.421,1210 0.297,1211 1.425,1212 0.906,1213 0.821,1214 1.234,1215 1.263,1216 0.218,1217 1.28,1218 0.886,1219 0.794,1220 1.181,1221 1.062,1223 1.107,1224 0.559,1225 0.448,1226 0.935,1227 0.884,1229 0.903,1230 0.345,1231 0.185,1232 0.784,1233 0.725,1235 0.765,1236 3.555,1238 4.844,1240 6.333,1242 7.917,1244 9.546,1246 1.896,1250 11.358,1252 0.735,1262 18.72,1263 42.884,1264 98.378,1265 114.087,1266 125.697,1267 128.452,1268 128.452,1269 18.515,1270 5.802,1271 77.82,1272 77.82,1273 12,1274 11.722,1275 3.7,1276 2.807,1277 25.903,1278 39,1279 36,1280 0.334,1281 120.705,1282 197.8,1283 286.279,1284 1923,1286 11.544,1287 0.721,1288 0.571,1289 11.544,1290 9.143,1291 7.665,1292 0.451,1293 0.299,1294 5.04,1295 7.459,1296 4.864,1297 4.094,1298 7.665,1299 5.09,1300 6.935,1301 0.302,1302 0.161,1303 6.935,1304 3.693,1305 5.34,1306 0.191,1307 0.089,1308 5.34,1309 2.487,1310 4.548,1311 0.13,1312 0.047,1313 4.548,1314 1.659,1315 3.192,1316 0.08,1317 0.026,1318 3.192,1319 1.021,1320 0.501,1321 47.382,1322 0.301,1323 16.053,1324 0.976,1325 80,1326 207.915,1327 86.383,1328 212.761,1329 294.63,1330 198,1331 91,1332 223.324,1333 96.495,1334 230.45,1335 329.86,1336 216,1337 5.474}
{0 CHEMBL174679,1 1.677,2 9.222,3 1.169,4 1.366,5 69.922,6 7.697,7 0.632,8 3.585,9 3.711,10 3.16,11 3.012,12 4.822,13 3.037,14 4.031,15 4.194,16 3.452,17 3.31,18 5.251,19 3.32,20 4.137,21 4.3,22 3.461,23 3.381,24 5.353,25 3.367,26 4.189,27 4.394,28 3.192,29 3.315,30 5.279,31 3.233,32 4.163,33 4.446,34 2.979,35 3.193,36 5.121,37 3.079,38 3.9,39 4.141,40 2.983,41 3.045,42 4.919,43 2.97,44 3.745,45 3.958,46 2.894,47 2.942,48 4.899,49 2.888,50 3.816,51 4.108,52 2.66,53 2.755,54 4.782,55 2.672,56 0.087,57 0.477,58 6.457,59 2.401,60 11.388,61 3.19,62 0.29,63 0.66,64 11.666,65 4.083,66 25.029,67 5.191,68 0.338,69 0.714,70 12.764,71 4.196,72 25.78,73 5.716,74 0.306,75 0.685,76 14.45,77 4.848,78 31.584,79 6.647,80 0.351,81 0.624,82 15.719,83 4.22,84 37.246,85 6.661,86 0.297,87 0.514,88 11.581,89 3.581,90 21.325,91 5.337,92 0.14,93 0.496,94 8.694,95 2.481,96 17.882,97 3.895,98 0.249,99 0.416,100 11.497,101 2.732,102 24.175,103 4.455,104 11,105 25,106 0.317,107 0.667,108 0.788,109 0.835,110 0.835,111 0.835,112 2.958,113 0.841,114 -2.71,115 -2.73,116 -2.65,119 37.5,124 1,125 1,139 4,140 1,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 3,172 3,173 3,178 4,181 2,182 4,184 1,185 1,189 2,193 3,195 1,196 1,197 1,200 2,205 1,207 2,209 1,210 1,212 1,218 1,220 1,221 4,226 2,231 2,234 4,239 3,243 3,251 2,256 2,259 2,262 1,263 1,265 2,270 2,273 348,274 12.093,275 12.093,276 12.093,277 12.093,278 12.093,279 10.541,280 16.414,281 7.175,282 12.567,283 9.288,284 9.288,285 9.288,286 9.288,287 9.288,288 6.984,289 19.968,290 3.336,291 9.97,292 3.323,293 1.476,294 0.836,295 0.586,296 0.586,297 0.586,298 3.616,301 1,302 1,303 343,304 2.345,307 124.225,314 1.358,315 16.517,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 40,327 166,328 4.233,329 3.135,330 6.06,331 3.789,332 2.861,333 3.881,334 1.151,335 8.712,336 2.653,337 4.03,338 2.888,339 5.478,340 3.611,341 2.639,342 3.632,343 0.86,344 7.329,345 2.561,346 3.512,347 2.612,348 5.111,349 3.145,350 2.214,351 2.812,353 6.28,354 2.059,355 3.421,356 2.293,357 4.951,358 2.998,359 2.079,360 2.72,362 5.786,363 1.898,364 2.848,365 1.741,366 4.172,367 2.383,368 1.476,369 1.979,371 3.769,372 1.335,373 2.5,374 1.279,375 3.414,376 2,377 1,378 1.5,380 2.275,381 1,382 2.047,383 1.002,384 3.291,385 1.745,386 0.861,387 0.989,389 1.914,390 0.753,391 1.656,392 1,393 2.768,394 1.36,395 0.497,396 0.557,398 0.814,399 0.425,400 1.232,401 0.378,402 2.423,403 0.901,409 0.801,410 -0.136,411 2.358,412 0.399,413 -0.513,414 -0.62,415 -1.062,416 -0.465,417 0.748,418 -0.314,419 2,420 0.381,421 -0.539,422 -0.651,423 -1.243,424 -0.493,425 0.5,426 -0.707,427 1.925,429 -1,430 -1.299,431 -2.845,432 -0.973,433 0.163,434 -0.992,435 1.375,436 -0.163,437 -1.079,438 -1.5,439 -3,440 -1,441 -0.125,442 -1,443 1.213,444 -0.416,445 -1.353,446 -1.653,448 -3.693,449 -1.244,450 -0.237,451 -1.282,452 1,453 -0.617,454 -1.525,455 -1.906,457 -4.042,458 -1.381,459 8.267,460 0.459,461 0.4,462 0.022,463 26,464 1.444,465 14,466 0.778,467 12,468 0.667,469 9.783,470 0.544,471 19.933,472 0.623,473 16.704,474 0.928,475 5.467,476 0.304,477 3.219,478 0.179,479 0.157,481 0.302,485 1.061,486 1.341,487 0.809,488 1.119,489 1.276,490 0.923,491 1.214,492 0.84,493 0.832,494 0.901,495 0.763,496 0.826,497 1.105,498 1.16,499 1.065,500 1.179,501 0.861,502 1.13,503 1.152,504 1.151,505 1.22,506 1.329,507 1.01,508 1.32,509 0.858,510 0.716,511 0.983,512 0.796,513 1.06,514 0.881,515 0.746,516 1,517 0.772,518 0.851,519 0.613,520 0.839,521 0.903,522 1.423,523 1.172,524 1.296,525 1.224,526 1.264,527 1.09,528 0.828,529 0.869,530 0.704,531 1.042,532 0.725,533 4,534 0.049,535 2,536 0.688,537 0.836,538 0.465,539 0.162,540 0.189,541 0.176,542 0.06,543 2891,544 9057,545 1.994,546 43.8,548 9,550 1,551 4,555 1.58,556 1.862,557 3.181,558 2.105,560 1,562 1,564 53.677,565 1.677,566 3.524,567 4.164,568 4.414,569 4.414,570 4.414,571 2.684,572 3.461,573 4.142,574 3.289,575 503.206,576 6.994,577 4868.06,578 1,579 1,582 160,583 1.415,584 4.096,585 0.211,586 0.01,587 0.08,588 0.029,589 0.049,590 0.033,591 0.011,592 0.015,593 0.018,594 0.007,595 0.462,596 0.33,597 1,598 0.894,599 77.921,600 -0.166,601 -0.103,602 0.014,603 -0.046,604 -0.312,605 0.027,606 -0.033,607 0.236,608 0.095,609 0.127,610 0.133,611 0.122,612 0.016,613 -0.071,614 -0.157,615 -0.167,616 0.039,617 -0.195,618 -0.123,619 -0.187,620 -0.276,621 -0.316,622 -0.09,623 -0.341,624 -0.038,625 0.174,626 0.023,627 0.139,628 -0.103,629 0.112,630 0.157,631 -0.108,632 0.21,633 0.167,634 0.187,635 0.188,636 -0.178,637 -0.318,638 -0.28,639 -0.345,640 -0.231,641 -0.326,642 -0.115,643 -0.006,644 0.19,645 0.194,646 -0.034,647 0.255,648 1.538,649 2.005,650 0.667,651 12.37,652 1.015,653 1.14,654 1.485,655 2.205,656 0.648,657 2.996,658 3.258,659 3.434,660 3.555,661 3.738,662 3.638,663 3.466,664 3.526,665 3.638,666 3.555,667 5.306,668 0.63,669 246.3,670 2.996,671 4.489,672 5.293,673 6.125,674 6.944,675 7.777,676 8.601,677 9.434,678 10.259,679 11.093,680 12.5,684 2,690 2,695 5,696 2,700 5,702 12,711 2,716 2,718 32,719 12,720 1,721 19,723 33,724 12,725 10,726 2,727 4,729 2,730 2,741 10,742 2,754 1,757 14,758 6,759 4,760 6,764 4,769 1,770 2,776 1,781 2,802 2,806 1,810 18,811 2,816 1,818 2,829 6.3,834 2,836 9.667,837 5.817,838 4.111,839 1.543,840 2.195,841 1.364,842 0.957,843 3.968,844 8.216,845 3.258,846 3.829,847 4.324,848 4.777,849 5.278,850 5.18,851 5.089,852 5.384,853 5.837,854 6.113,855 1,856 24,857 6.546,859 2.618,860 7.88,861 12.156,863 9.138,865 2.38,866 42.833,867 0.001,870 117.711,871 80.327,872 99.365,874 22,877 80.327,878 139.711,879 99.365,880 10.883,881 4.592,882 103.699,883 45.342,884 44.72,885 4.227,886 105.94,888 117.711,889 179.693,890 22,893 117.711,894 22,897 15.539,898 130.583,899 33.571,901 117.711,902 121.365,903 80.327,906 117.711,907 22.492,908 57.835,910 121.365,911 117.711,912 121.365,913 80.327,915 0.571,916 0.326,917 0.157,918 0.085,919 11,920 5,921 0.121,922 4,924 1,925 3.105,926 117.446,928 12,929 71.059,933 12.609,934 5.664,935 3.325,937 121.365,938 9.005,939 7.634,943 2.571,945 65.794,946 319.404,947 25,956 32.48,957 36.488,958 0.335,959 0.705,960 0.833,961 0.883,962 0.883,963 0.883,964 4.443,965 0.497,966 5.252,967 1.914,968 3.932,969 4.511,970 1.635,971 5.964,972 3.8,973 5.633,975 6.758,976 0.814,977 3.434,978 4.227,980 6.676,981 3.252,982 6.916,983 -0.513,984 8.355,986 5.442,987 6.66,988 1.723,989 9.649,990 5.193,991 8.233,992 -0.539,993 10.002,994 -1.062,995 5.707,996 7.117,998 11.12,999 5.395,1000 9.575,1001 -1,1002 11.68,1003 -1.243,1004 7.188,1005 9.045,1006 1.865,1007 13.602,1008 6.827,1009 10.933,1010 -1.079,1011 13.379,1012 -2.845,1013 7.816,1014 9.861,1016 15.409,1017 7.383,1018 12.305,1019 -1.353,1020 15.093,1021 -3,1022 9.061,1023 11.548,1024 2.048,1025 17.704,1026 8.586,1027 2.861,1028 -1.525,1029 16.818,1030 -3.693,1031 9.879,1032 12.566,1034 19.678,1035 9.326,1036 2.639,1037 8.712,1038 18.553,1039 -4.042,1040 11.012,1041 14.118,1042 2.261,1043 21.895,1044 10.415,1045 2.214,1046 7.329,1047 20.296,1048 3.881,1049 11.931,1050 15.26,1052 23.955,1053 11.255,1054 2.079,1055 6.28,1056 22.045,1057 3.632,1058 13.011,1059 16.731,1060 2.495,1061 26.138,1062 12.285,1063 1.476,1064 5.786,1065 23.801,1066 2.812,1067 13.984,1068 17.948,1070 28.244,1071 13.179,1072 1,1073 3.769,1074 25.561,1075 2.72,1076 15.039,1077 19.369,1078 2.743,1079 30.413,1080 14.178,1081 0.861,1082 2.275,1083 27.326,1084 1.979,1085 16.041,1086 20.634,1088 32.544,1089 15.103,1090 2941,1091 5301,1092 12.425,1093 20.739,1094 27.442,1095 27.994,1096 28.386,1097 27.239,1098 27.255,1099 36.141,1100 4.022,1101 73.758,1102 25.37,1103 5.06,1104 5.135,1105 5.615,1106 4.858,1107 4.861,1108 6.881,1109 2.302,1110 14.953,1111 4.653,1112 9.012,1113 1.444,1114 1.473,1115 1.494,1116 1.434,1117 1.434,1118 1.902,1119 0.212,1120 3.882,1121 1.335,1122 3.942,1123 3.969,1124 3.888,1125 3.853,1126 5.305,1127 3.854,1128 3.828,1129 3.875,1130 3.79,1131 3.64,1132 4.985,1133 3.676,1134 3.331,1135 3.378,1136 3.208,1137 3.082,1138 4.872,1139 3.102,1140 3.142,1141 3.234,1142 2.993,1143 2.845,1144 4.604,1145 2.861,1146 3.019,1147 3.13,1148 2.831,1149 2.735,1150 4.374,1151 2.74,1152 2.865,1153 2.976,1154 2.693,1155 2.729,1156 4.156,1157 2.715,1158 2.854,1159 2.925,1160 2.687,1161 2.571,1162 3.74,1163 2.599,1164 2.47,1165 2.539,1166 2.286,1167 2.222,1168 3.674,1169 2.22,1170 0.223,1171 0.165,1172 0.319,1173 0.199,1174 0.151,1175 4.233,1176 0.204,1177 3.135,1178 0.061,1179 6.06,1180 0.459,1181 3.789,1182 0.14,1183 2.861,1184 3.881,1185 1.151,1186 8.712,1187 2.653,1188 1.902,1189 1.88,1190 2.014,1191 2.017,1192 1.136,1193 2.011,1194 1.727,1195 1.683,1196 1.798,1197 1.941,1198 0.749,1199 1.909,1200 1.254,1201 1.202,1202 1.583,1203 1.555,1204 0.61,1205 1.56,1206 1.073,1207 0.99,1208 1.385,1209 1.404,1210 0.515,1211 1.394,1212 0.946,1213 0.837,1214 1.257,1215 1.312,1216 0.218,1217 1.315,1218 0.886,1219 0.821,1220 1.181,1221 1.14,1223 1.15,1224 0.796,1225 0.686,1226 1.125,1227 1.062,1229 1.107,1230 0.437,1231 0.361,1232 0.783,1233 0.709,1235 0.73,1236 3.664,1238 4.934,1240 6.402,1242 7.953,1244 9.542,1246 1.623,1250 11.05,1252 0.376,1254 10.574,1262 20.149,1263 53.677,1264 112.781,1265 133.245,1266 141.245,1267 141.245,1268 141.245,1269 21.87,1270 6.021,1271 96.28,1272 96.28,1273 12,1274 11.665,1275 3.7,1276 2.807,1277 31.265,1278 58,1279 56,1280 0.272,1281 128.697,1282 215.38,1283 305.781,1284 2730,1286 12.958,1287 0.72,1288 0.553,1289 12.958,1290 9.959,1291 8.686,1292 0.457,1293 0.28,1294 5.199,1295 8.198,1296 5.061,1297 4.251,1298 8.686,1299 5.325,1300 7.528,1301 0.301,1302 0.145,1303 7.528,1304 3.614,1305 6.099,1306 0.203,1307 0.078,1308 6.099,1309 2.355,1310 4.535,1311 0.133,1312 0.041,1313 4.535,1314 1.392,1315 3.451,1316 0.084,1317 0.021,1318 3.451,1319 0.876,1320 0.43,1321 55.579,1322 0.284,1323 18.447,1324 0.727,1325 88,1326 303.386,1327 100.472,1328 288.413,1329 389.89,1330 270,1331 99,1332 283.972,1333 111.139,1334 287.812,1335 412.03,1336 267,1337 4.001}
{0 CHEMBL174753,1 1.662,2 7.941,3 1.675,4 2.805,5 71.994,6 8.611,7 0.667,8 3.484,9 3.63,10 3.151,11 3,12 4.714,13 2.996,14 3.908,15 4.082,16 3.499,17 3.347,18 5.149,19 3.307,20 4.112,21 4.317,22 3.48,23 3.421,24 5.263,25 3.342,26 4.113,27 4.36,28 3.262,29 3.288,30 5.198,31 3.17,32 4.043,33 4.323,34 3.029,35 3.136,36 5.064,37 3.007,38 3.761,39 4.014,40 2.988,41 3.006,42 4.801,43 2.913,44 3.668,45 3.9,46 3.036,47 2.927,48 4.84,49 2.852,50 3.584,51 3.837,52 3.03,53 2.716,54 4.844,55 2.616,56 0.078,57 0.465,58 5.047,59 1.975,60 11.186,61 2.633,62 0.168,63 0.661,64 8.897,65 3.62,66 17.82,67 4.842,68 0.238,69 0.722,70 14.151,71 4.445,72 22.415,73 6.014,74 0.248,75 0.655,76 14.722,77 4.391,78 31.811,79 6.199,80 0.334,81 0.558,82 17.753,83 4.025,84 37.173,85 5.815,86 0.143,87 0.47,88 11.111,89 3.325,90 16.99,91 4.752,92 0.139,93 0.435,94 8.724,95 2.55,96 18.701,97 3.591,98 0.226,99 0.323,100 11.653,101 2.523,102 25.161,103 3.709,104 10,105 24,106 0.321,107 0.691,108 0.82,109 0.9,110 0.9,111 0.9,112 2.906,113 0.898,114 -3.49,115 -3.46,116 -3.31,119 37.9,125 1,139 4,140 1,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,172 3,173 3,175 1,178 6,185 2,186 1,187 2,188 1,189 4,195 1,196 1,197 1,198 1,200 2,201 1,205 1,207 2,211 1,212 3,214 1,218 1,221 4,226 2,231 2,234 2,239 2,243 2,246 4,251 4,256 4,265 1,270 1,273 294,274 11.223,275 11.223,276 11.223,277 11.223,278 11.223,279 9.618,280 15.594,281 6.71,282 11.596,283 8.877,284 8.877,285 8.877,286 8.877,287 8.877,288 6.568,289 22.764,290 3.211,291 9.535,292 3.196,293 1.283,294 0.621,295 0.207,296 0.207,297 0.207,298 3.56,299 1,301 1,302 1,303 280,304 2.121,307 113.992,314 1.135,315 14.447,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 36.833,327 135,328 4.233,329 3.046,330 6.06,331 3.804,332 2.862,333 3.881,334 0.657,335 8.713,336 2.698,337 4.036,338 2.948,339 5.499,340 3.597,341 2.639,342 3.645,344 7.426,345 2.522,346 3.472,347 2.519,348 4.961,349 3.048,350 2.14,351 2.783,353 5.828,354 1.937,355 3.289,356 2.238,357 4.745,358 2.865,359 1.958,360 2.541,362 5.288,363 1.701,364 2.848,365 1.636,366 4.168,367 2.391,368 1.472,369 1.979,371 3.761,372 1.347,373 2.671,374 1.31,375 3.489,376 2.182,377 1.206,378 1.75,380 2.626,381 1.151,382 1.964,383 0.922,384 3.237,385 1.676,386 0.746,387 0.882,389 1.734,390 0.692,391 1.262,392 0.244,393 2.55,394 0.931,400 0.922,401 0.195,402 2.359,403 0.425,404 -0.406,405 -0.51,407 -0.901,408 -0.256,409 0.797,410 -0.314,411 2,412 0.392,413 -0.514,414 -0.621,415 -1.242,416 -0.466,417 0.654,418 -0.453,419 2,420 0.244,421 -0.697,422 -0.868,423 -1.826,424 -0.658,425 0.165,426 -0.989,427 1.572,428 -0.175,429 -1.117,430 -1.443,431 -2.97,432 -1.047,433 -0.037,434 -1.121,435 1.372,436 -0.416,437 -1.321,438 -1.772,439 -3.386,440 -1.126,441 -0.199,442 -1.289,443 1.083,444 -0.603,445 -1.464,446 -1.891,448 -4.037,449 -1.349,450 -0.251,451 -1.415,452 1,453 -0.693,454 -1.565,455 -2.085,457 -4.144,458 -1.442,459 8.214,460 0.483,461 0.438,462 0.026,463 24.75,464 1.456,465 13.5,466 0.794,467 11.25,468 0.662,469 9.61,470 0.565,471 18.186,472 0.627,473 15.066,474 0.886,475 5.016,476 0.295,477 3.132,478 0.184,479 0.184,481 0.304,485 1.069,486 1.258,487 0.629,488 0.769,489 1.221,490 0.756,491 0.629,492 1.013,493 0.651,494 0.903,495 0.469,496 0.907,497 0.995,498 1.111,499 1.069,500 1.141,501 0.891,502 1.142,503 0.994,504 1.077,505 0.972,506 1.093,507 0.945,508 1.16,509 1.184,510 0.674,511 1.178,512 0.897,513 1.257,514 0.948,515 0.832,516 1.009,517 0.769,518 0.873,519 0.732,520 0.844,521 1.191,522 1.15,523 0.855,524 0.868,525 1.303,526 0.932,527 0.784,528 1.049,529 1.08,530 1.135,531 0.784,532 0.973,533 4,534 0.012,535 1.778,536 0.938,537 0.796,538 0.347,539 0.163,540 0.227,541 0.114,542 0.066,543 2402,544 8284,545 1.994,546 41.4,548 6,550 1,551 5,555 1.564,556 1.855,557 3.007,558 3.117,560 1,561 1,562 1,564 48.199,565 1.662,566 3.575,567 4.237,568 4.651,569 4.651,570 4.651,571 2.448,572 3.97,573 4.064,574 3.117,575 423.956,576 6.844,577 3914.75,578 1,579 1,581 1,582 140.881,583 1.447,584 4.01,585 0.222,586 0.006,587 0.074,588 0.043,589 0.05,590 0.027,591 0.012,592 0.017,593 0.011,594 0.016,595 0.479,596 0.5,597 1,598 0.682,599 71.273,600 -0.258,601 -0.017,602 -0.025,603 0.123,604 -0.346,605 0.098,606 0.185,607 0.133,608 0.058,609 0.031,610 0.24,611 0.002,612 -0.049,613 -0.068,614 -0.159,615 -0.189,616 -0.07,617 -0.212,618 -0.075,619 -0.123,620 -0.101,621 -0.16,622 -0.038,623 -0.206,624 -0.135,625 0.2,626 -0.126,627 0.061,628 -0.206,629 0.038,630 -0.026,631 -0.096,632 0.101,633 0.113,634 0.069,635 0.173,636 -0.225,637 -0.148,638 0.016,639 0.052,640 -0.23,641 -0.004,642 0.395,643 -0.209,644 0.232,645 -0.11,646 0.411,647 0.04,648 1.504,649 1.774,650 0.706,651 10.194,652 1.013,653 1.141,654 2.257,655 5.094,656 0.687,657 2.944,658 3.219,659 3.367,660 3.526,661 3.664,662 3.526,663 3.367,664 3.466,665 3.466,666 3.466,667 4.849,668 0.657,669 249.73,670 2.944,671 4.443,672 5.242,673 6.08,674 6.893,675 7.731,676 8.549,677 9.388,678 10.207,679 11.046,680 17.2,684 2,685 1,690 2,695 5,696 2,700 5,702 12,711 2,712 1,717 1,718 29,719 12,720 1,721 18,723 30,724 11,725 10,726 2,727 4,729 2,730 2,731 1,741 10,742 1,754 1,757 12,758 5,759 5,760 6,761 1,764 5,769 1,776 1,781 2,802 2,807 1,810 17,811 2,816 1,817 1,828 1,836 9.167,837 4.876,838 3.778,839 1.433,840 2.2,841 1.373,842 0.994,843 3.661,844 8.1,845 3.219,846 3.807,847 4.284,848 4.758,849 5.219,850 5.083,851 4.979,852 5.344,853 5.744,854 6.073,855 1,856 22,857 6.175,859 2.509,860 7.879,861 11.505,863 8.884,865 2.379,866 40.444,867 0.001,870 82.398,871 62.728,872 117.376,873 39.149,877 62.728,878 121.546,879 117.376,881 2.106,882 103.699,883 63.353,884 18.49,885 4.227,886 70.627,887 39.149,888 82.398,889 180.104,891 39.149,893 82.398,897 13.052,898 115.47,899 90.73,901 82.398,902 117.376,903 101.877,906 82.398,907 15.776,908 46.952,909 18.011,910 138.514,911 82.398,912 117.376,913 101.877,915 0.577,916 0.317,917 0.159,918 0.083,919 11,920 5,921 0.1,922 3,924 1,925 2.985,926 109.416,928 12,929 69.487,933 11.951,934 5.207,935 3.217,937 117.376,938 9.117,939 7.727,943 2.897,945 83.805,946 301.651,947 24,956 29.367,957 33.096,958 0.342,959 0.736,960 0.872,961 0.957,962 0.957,963 0.957,964 4.407,966 5.209,967 1.734,968 3.892,969 4.489,970 0.623,971 5.922,972 3.755,973 5.608,974 -0.406,975 6.713,977 3.434,978 4.227,980 6.605,981 3.179,982 6.893,983 -0.514,984 8.308,985 -0.901,986 5.398,987 6.642,988 0.317,989 9.61,990 5.15,991 8.21,992 -0.697,993 9.953,994 -1.242,995 5.673,996 7.099,998 11.058,999 5.321,1000 9.551,1001 -1.117,1002 11.629,1003 -1.826,1004 7.144,1005 9.03,1006 0.149,1007 13.575,1008 6.794,1009 10.909,1010 -1.321,1011 13.327,1012 -2.97,1013 7.781,1014 9.849,1016 15.374,1017 7.341,1018 12.281,1019 -1.464,1020 15.042,1021 -3.386,1022 9.026,1023 11.54,1024 0.067,1025 17.692,1026 8.575,1027 2.862,1028 -1.565,1029 16.769,1030 -4.037,1031 9.851,1032 12.564,1034 19.665,1035 9.32,1036 2.639,1037 8.713,1038 18.506,1039 -4.144,1040 10.987,1041 14.118,1042 0.03,1043 21.894,1044 10.43,1045 2.14,1046 7.426,1047 20.252,1048 3.881,1049 11.912,1050 15.264,1052 23.955,1053 11.281,1054 1.958,1055 5.828,1056 22.005,1057 3.645,1058 12.994,1059 16.736,1060 0.013,1061 26.145,1062 12.328,1063 1.472,1064 5.288,1065 23.765,1066 2.783,1067 13.972,1068 17.957,1070 28.252,1071 13.237,1072 1.206,1073 3.761,1074 25.529,1075 2.541,1076 15.029,1077 19.379,1078 0.006,1079 30.423,1080 14.25,1081 0.746,1082 2.626,1083 27.298,1084 1.979,1085 16.035,1086 20.646,1088 32.554,1089 15.19,1090 2442,1091 4615,1092 11.731,1093 19.932,1094 26.359,1095 26.31,1096 26.988,1097 26.231,1098 26.045,1099 34.92,1100 1.315,1101 70.751,1102 24.095,1103 5.059,1104 5.046,1105 5.621,1106 4.874,1107 4.862,1108 6.881,1109 1.315,1110 14.955,1111 4.698,1112 8.446,1113 1.464,1114 1.462,1115 1.499,1116 1.457,1117 1.447,1118 1.94,1119 0.073,1120 3.931,1121 1.339,1122 3.947,1123 3.989,1124 4.004,1125 3.873,1126 5.295,1127 3.867,1128 3.829,1129 3.876,1130 3.828,1131 3.658,1132 4.981,1133 3.689,1134 3.292,1135 3.381,1136 3.385,1137 3.085,1138 4.937,1139 3.089,1140 3.055,1141 3.176,1142 3.089,1143 2.796,1144 4.491,1145 2.797,1146 2.887,1147 2.992,1148 2.887,1149 2.76,1150 4.336,1151 2.759,1152 2.875,1153 2.921,1154 2.733,1155 2.582,1156 3.995,1157 2.613,1158 2.581,1159 2.686,1160 2.414,1161 2.331,1162 3.74,1163 2.323,1164 2.25,1165 2.398,1166 2.209,1167 1.791,1168 3.543,1169 1.816,1170 0.235,1171 0.169,1172 0.337,1173 0.211,1174 0.159,1175 4.233,1176 0.216,1177 3.046,1178 0.037,1179 6.06,1180 0.484,1181 3.804,1182 0.15,1183 2.862,1184 3.881,1185 0.657,1186 8.713,1187 2.698,1188 1.911,1189 1.885,1190 2.012,1191 2.024,1192 1.156,1193 2.019,1194 1.746,1195 1.695,1196 1.822,1197 1.93,1198 0.818,1199 1.915,1200 1.235,1201 1.16,1202 1.476,1203 1.504,1204 0.581,1205 1.502,1206 0.961,1207 0.858,1208 1.26,1209 1.345,1210 0.163,1211 1.336,1212 0.867,1213 0.824,1214 1.136,1215 1.151,1216 0.007,1217 1.16,1218 0.809,1219 0.697,1220 1.081,1221 1.011,1223 1.054,1224 0.562,1225 0.458,1226 0.914,1227 0.84,1229 0.87,1230 0.152,1232 0.606,1233 0.576,1235 0.572,1236 3.611,1238 4.89,1240 6.358,1242 7.91,1244 9.501,1247 5.885,1250 11.103,1252 0.595,1253 3.119,1262 19.042,1263 48.199,1264 103.662,1265 122.881,1266 134.881,1267 134.881,1268 134.881,1269 20.523,1270 5.9,1271 89.85,1272 89.85,1273 12,1274 11.616,1275 3.7,1276 2.807,1277 28.59,1278 50,1279 41,1280 0.288,1281 126.239,1282 206.71,1283 299.784,1284 2319,1285 3.4,1286 12.251,1287 0.721,1288 0.575,1289 12.751,1290 9.777,1291 8.148,1292 0.453,1293 0.299,1294 4.972,1295 7.567,1296 4.837,1297 4.034,1298 8.437,1299 5.39,1300 7.371,1301 0.307,1302 0.164,1303 7.779,1304 3.947,1305 5.6,1306 0.2,1307 0.087,1308 5.862,1309 2.444,1310 4.429,1311 0.134,1312 0.049,1313 4.697,1314 1.603,1315 3.239,1316 0.085,1317 0.025,1318 3.416,1319 0.962,1320 0.45,1321 53.956,1322 0.292,1323 17.347,1324 0.789,1325 84,1326 252.451,1327 107.29,1328 283.402,1329 375.27,1330 262,1331 94,1332 254.525,1333 111.169,1334 270.376,1335 386.84,1336 253,1337 4.303}
{0 CHEMBL17479,1 1.572,2 9.435,3 3.005,4 9.029,5 97.391,6 8.459,7 0.808,8 3.768,9 3.893,10 3.497,11 3.411,12 4.941,13 3.37,14 4.222,15 4.363,16 3.874,17 3.822,18 5.379,19 3.745,20 4.415,21 4.589,22 3.951,23 3.931,24 5.456,25 3.825,26 4.45,27 4.634,28 3.925,29 3.905,30 5.537,31 3.755,32 4.45,33 4.686,34 3.608,35 3.74,36 5.427,37 3.572,38 4.277,39 4.538,40 3.325,41 3.577,42 5.087,43 3.412,44 4.086,45 4.302,46 3.426,47 3.464,48 5.103,49 3.388,50 4.116,51 4.334,52 3.365,53 3.43,54 5.186,55 3.355,56 0.047,57 0.616,58 6.922,59 3.071,60 9.943,61 3.617,62 0.156,63 0.974,64 13.691,65 5.989,66 17.325,67 7.094,68 0.09,69 1.138,70 17.38,71 7.188,72 13.545,73 8.511,74 0.202,75 1.202,76 21.176,77 8.277,78 24.582,79 9.632,80 0.281,81 1.16,82 24.522,83 7.443,84 34.569,85 8.678,86 0.101,87 0.869,88 20.185,89 7.639,90 17.45,91 9.88,92 0.078,93 0.769,94 12.305,95 4.79,96 13.863,97 6.488,98 0.086,99 0.811,100 13.836,101 4.968,102 15.434,103 6.277,104 5,105 37,106 0.276,107 0.617,108 0.742,109 0.833,110 0.877,111 0.895,112 3.189,113 0.946,114 -5.08,115 -4.98,116 -4.66,119 44.7,125 1,139 7,140 4,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 10,169 1,170 2,172 3,173 4,175 3,178 14,180 1,182 2,187 1,189 13,191 1,195 1,196 2,197 3,198 2,200 4,201 10,204 1,205 1,207 2,212 2,215 8,218 2,226 2,229 6,234 4,239 6,241 4,243 3,246 6,251 6,254 1,256 3,260 6,265 6,270 5,273 635,274 15.792,275 15.792,276 15.792,277 15.792,278 15.792,279 13.279,280 11.604,281 9.264,282 16.2,283 12.853,284 12.853,285 12.853,286 12.853,287 12.853,288 9.099,289 13.928,290 4.379,291 13.53,292 3.676,293 1.737,294 1.031,295 0.513,296 0.263,297 0.158,298 3.89,300 1,301 1,302 1,303 483,304 2.449,306 43.372,307 159.133,310 82.075,311 89.637,314 1.285,315 14.445,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48.5,327 217,328 4.639,329 4.46,330 6.781,331 4.154,332 3.19,333 4.608,334 3.272,335 11.108,336 3.079,337 4.492,338 3.313,339 6.505,340 4.004,341 3.027,342 4.429,344 10.194,345 2.959,346 3.714,347 2.975,348 5.323,349 3.271,350 2.348,351 3.158,353 6.732,354 2.161,355 3.506,356 2.555,357 5.187,358 3.041,359 2.11,360 2.904,362 6.216,363 1.952,364 3.405,365 2.277,366 5.063,367 2.899,368 1.98,369 2.787,371 5.79,372 1.818,373 3.118,374 2.065,375 4.76,376 2.664,377 1.717,378 2.427,380 4.97,381 1.618,382 3.054,383 1.643,384 4.165,385 2.618,386 1.618,387 2.229,389 3.795,390 1.616,391 2.77,392 1.618,393 3.601,394 2.271,395 1.275,396 1.903,398 2.849,399 1.269,400 2.415,401 1.311,402 3.588,403 1.946,404 1.017,405 1.383,407 2.345,408 0.928,409 2.289,410 1.171,411 3.411,412 1.763,413 0.831,414 1.196,415 2.074,416 0.772,417 1.781,418 0.854,419 3.094,420 1.392,421 0.505,422 0.629,423 1.218,424 0.438,425 1.153,426 0.373,427 2.684,428 0.736,429 -0.191,430 -0.243,431 -0.499,432 -0.175,433 1.026,434 -0.026,435 2.497,436 0.549,437 -0.379,438 -0.508,439 -0.986,440 -0.346,441 0.882,442 -0.296,443 2.31,444 0.382,445 -0.535,446 -0.658,448 -1.278,449 -0.485,450 0.8,451 -0.584,452 2.11,453 0.381,454 -0.618,455 -0.927,457 -1.478,458 -0.618,459 11.333,460 0.493,461 0.538,462 0.023,463 34.5,464 1.5,465 19.5,466 0.848,467 15,468 0.652,469 15.273,470 0.664,471 22.867,472 0.602,473 22.191,474 0.965,475 6.6,476 0.287,477 4.621,478 0.201,479 0.071,481 0.353,485 1.194,486 0.955,487 0.742,488 0.694,489 1.318,490 0.7,491 0.466,492 0.825,493 0.974,494 0.993,495 0.434,496 0.897,497 1.008,498 1.07,499 1.019,500 1.005,501 0.869,502 0.975,503 0.623,504 1.078,505 1.328,506 1.351,507 0.612,508 1.222,509 1.516,510 0.951,511 1.527,512 1.244,513 1.59,514 1.165,515 0.473,516 0.866,517 0.944,518 1.016,519 0.519,520 0.934,521 0.766,522 1.048,523 0.608,524 0.834,525 0.754,526 0.869,527 1.133,528 1.246,529 0.941,530 1.041,531 0.893,532 1.004,533 4,534 0.087,535 2.667,536 1.91,537 1.165,538 0.406,539 0.34,540 0.254,541 0.219,542 0.128,543 5947,544 15884,545 2.168,546 39.5,548 9,549 1,551 5,555 1.656,556 2.06,557 3.198,558 2.675,559 1,560 1,564 59.721,565 1.572,566 3.511,567 4.217,568 4.735,569 4.985,570 5.09,571 2.616,572 4.176,573 4.502,574 3.326,575 841.543,576 7.739,577 9488.55,578 1,579 1,581 1,582 199.421,583 1.302,584 4.469,585 0.154,586 0.01,587 0.072,588 0.052,589 0.036,590 0.018,591 0.016,592 0.011,593 0.01,594 0.008,595 0.386,596 0.17,597 1,598 0.503,599 107.041,600 -0.234,601 0.133,602 0.029,603 0.173,604 -0.324,605 0.128,606 0.374,607 0.225,608 -0.009,609 0.013,610 0.267,611 0.008,612 -0.125,613 -0.053,614 -0.003,615 0.019,616 -0.102,617 -0.035,618 0.292,619 -0.052,620 -0.094,621 -0.196,622 0.249,623 -0.242,624 -0.358,625 0.082,626 -0.28,627 -0.126,628 -0.422,629 -0.176,630 0.154,631 -0.03,632 0.116,633 0.062,634 0.143,635 0.18,636 0.075,637 -0.13,638 0.152,639 0.022,640 0.085,641 0.098,642 -0.086,643 -0.271,644 -0.084,645 -0.158,646 0.036,647 -0.065,648 1.481,649 2.001,650 0.826,651 15.505,652 1,653 1.118,654 3.852,655 14.839,656 0.723,657 3.296,658 3.638,659 3.951,660 4.263,661 4.431,662 4.466,663 4.543,664 4.654,665 4.727,666 4.718,667 5.58,668 0.682,669 321.44,670 3.296,671 4.844,672 5.714,673 6.608,674 7.489,675 8.387,676 9.272,677 10.171,678 11.058,679 11.957,680 13.2,684 2,688 1,690 2,694 4,695 8,696 2,697 1,700 4,702 21,711 2,718 38,719 21,720 2,721 26,723 41,724 17,725 16,726 3,727 7,729 4,730 6,741 16,742 1,753 1,754 1,757 15,758 4,759 5,760 6,761 1,764 5,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,803 1,804 1,810 23,811 2,816 1,819 1,836 11.167,837 6.65,838 4.972,839 2.047,840 4.32,841 1.582,842 1.08,843 3.597,844 11.745,845 3.624,846 4.327,847 5.016,848 5.681,849 6.201,850 6.491,851 6.846,852 7.228,853 7.479,854 7.564,855 1,856 37,857 8.429,859 3.62,860 7.638,861 16.196,863 13.547,865 2.138,866 49.167,870 117.711,871 126.898,872 116.151,876 32.22,877 94.678,878 117.711,879 116.151,881 0.9,882 141.176,883 35.286,884 29.241,885 15.998,886 138.159,888 117.711,889 210.829,891 32.22,893 117.711,897 21.3,898 155.959,899 33.571,900 32.22,901 117.711,902 116.151,903 126.898,906 117.711,907 51.517,908 75.381,909 16.786,910 99.365,911 117.711,912 116.151,913 126.898,915 0.585,916 0.351,917 0.205,918 0.104,919 20,920 8,921 0.073,922 3,923 2,924 1.211,925 3.576,926 190.998,927 0.211,928 19,929 100.042,930 1,933 14.364,934 5.759,935 2.623,936 4.038,937 99.365,938 16.654,939 8.239,940 3.119,943 2.926,945 82.58,946 360.76,947 36.5,956 38.003,957 42.488,958 0.299,959 0.669,960 0.804,961 0.902,962 0.95,963 0.97,964 4.846,965 1.275,966 5.7,967 3.795,968 4.317,969 5.014,970 3.11,971 6.538,972 4.222,973 6.086,974 1.017,975 7.27,976 2.849,977 3.892,978 4.913,980 7.489,981 3.768,982 7.417,983 0.831,984 8.943,985 2.345,986 5.927,987 7.369,988 5.44,989 10.625,990 5.758,991 8.789,992 0.505,993 10.679,994 2.074,995 6.347,996 8.14,998 12.447,999 6.16,1000 10.195,1001 -0.191,1002 12.456,1003 1.218,1004 7.843,1005 10.043,1006 7.807,1007 15.09,1008 7.62,1009 11.627,1010 -0.379,1011 14.262,1012 -0.499,1013 8.663,1014 11.224,1016 17.257,1017 8.421,1018 13.08,1019 -0.535,1020 16.089,1021 -0.986,1022 9.942,1023 12.899,1024 10.177,1025 19.734,1026 9.67,1027 3.19,1028 -0.618,1029 17.933,1030 -1.278,1031 10.944,1032 14.268,1034 22.036,1035 10.65,1036 3.027,1037 11.108,1038 19.79,1039 -1.478,1040 12.138,1041 15.849,1042 12.548,1043 24.454,1044 11.814,1045 2.348,1046 10.194,1047 21.656,1048 4.608,1049 13.221,1050 17.3,1052 26.808,1053 12.87,1054 2.11,1055 6.732,1056 23.529,1057 4.429,1058 14.382,1059 18.842,1060 14.919,1061 29.207,1062 14.001,1063 1.98,1064 6.216,1065 25.409,1066 3.158,1067 15.499,1068 20.329,1070 31.581,1071 15.088,1072 1.717,1073 5.79,1074 27.293,1075 2.904,1076 16.648,1077 21.854,1078 17.29,1079 33.974,1080 16.207,1081 1.618,1082 4.97,1083 29.181,1084 2.787,1085 17.781,1086 23.357,1088 36.358,1089 17.307,1090 5557,1091 9205,1092 17.8,1093 27.483,1094 39.48,1095 42.416,1096 40.339,1097 39.232,1098 39.233,1099 55.308,1100 6.545,1101 114.581,1102 37.218,1103 5.478,1104 6.46,1105 6.47,1106 5.28,1107 5.19,1108 7.608,1109 6.545,1110 17.999,1111 5.079,1112 8.473,1113 1.518,1114 1.631,1115 1.551,1116 1.509,1117 1.509,1118 2.127,1119 0.252,1120 4.407,1121 1.431,1122 4.12,1123 4.159,1124 4.163,1125 4.069,1126 5.321,1127 4.054,1128 4.052,1129 4.076,1130 4.032,1131 3.951,1132 4.981,1133 3.969,1134 3.483,1135 3.537,1136 3.645,1137 3.43,1138 4.891,1139 3.394,1140 3.424,1141 3.491,1142 3.34,1143 3.249,1144 4.766,1145 3.245,1146 3.16,1147 3.242,1148 3.242,1149 3.052,1150 4.33,1151 3.023,1152 3.077,1153 3.167,1154 2.976,1155 2.819,1156 4.107,1157 2.834,1158 2.927,1159 3.003,1160 2.807,1161 2.728,1162 3.887,1163 2.726,1164 2.665,1165 2.722,1166 2.539,1167 2.573,1168 3.736,1169 2.559,1170 0.178,1171 0.172,1172 0.261,1173 0.16,1174 0.123,1175 4.639,1176 0.177,1177 4.46,1178 0.126,1179 6.781,1180 0.427,1181 4.154,1182 0.118,1183 3.19,1184 4.608,1185 3.272,1186 11.108,1187 3.079,1188 2.067,1189 2.052,1190 2.138,1191 2.109,1192 1.295,1193 2.126,1194 1.826,1195 1.791,1196 1.863,1197 2.007,1198 1.067,1199 1.968,1200 1.557,1201 1.507,1202 1.684,1203 1.741,1204 0.748,1205 1.743,1206 1.466,1207 1.422,1208 1.646,1209 1.581,1210 0.681,1211 1.609,1212 1.119,1213 1.071,1214 1.308,1215 1.4,1216 0.401,1217 1.392,1218 1.022,1219 0.942,1220 1.257,1221 1.327,1222 0.289,1223 1.331,1224 0.922,1225 0.815,1226 1.222,1227 1.155,1228 0.061,1229 1.187,1230 0.697,1231 0.641,1232 0.997,1233 0.953,1235 0.995,1236 3.97,1238 5.303,1239 2.398,1240 6.841,1241 4.727,1242 8.477,1243 6.843,1244 10.163,1250 11.635,1252 0.783,1255 1.773,1262 25.928,1263 59.721,1264 133.405,1265 160.26,1266 179.911,1267 189.421,1268 193.421,1269 25.73,1270 7.425,1271 93.61,1272 118.91,1273 23,1274 12.482,1275 4.459,1276 3.524,1277 31.922,1278 79,1279 68,1280 0.203,1281 163.022,1282 259.37,1283 389.535,1284 17517,1286 15.811,1287 0.687,1288 0.57,1289 16.165,1290 13.1,1291 11.22,1292 0.432,1293 0.315,1294 7.236,1295 10.489,1296 6.987,1297 5.786,1298 11.674,1299 8.202,1300 10.205,1301 0.276,1302 0.17,1303 10.756,1304 6.288,1305 8.765,1306 0.172,1307 0.096,1308 9.472,1309 4.914,1310 8.002,1311 0.114,1312 0.054,1313 8.791,1314 3.79,1315 6.113,1316 0.074,1317 0.032,1318 6.955,1319 2.648,1320 0.315,1321 73.711,1322 0.237,1323 22.407,1324 0.562,1325 126,1326 319.108,1327 156.442,1328 344.598,1329 486.5,1330 324,1331 151,1332 360.353,1333 178.704,1334 382.537,1335 563.28,1336 361,1337 5.523}
{0 CHEMBL174954,1 1.663,2 15,3 1.912,4 3.657,5 116.034,6 8.067,7 0.529,8 4.074,9 4.184,10 3.697,11 3.577,12 5.288,13 3.594,14 4.573,15 4.718,16 4.054,17 3.943,18 5.792,19 3.943,20 4.792,21 4.963,22 4.115,23 4.03,24 6.013,25 4.02,26 4.831,27 5.016,28 3.945,29 3.957,30 6.12,31 3.915,32 4.748,33 4.968,34 3.732,35 3.867,36 5.874,37 3.794,38 4.656,39 4.867,40 3.696,41 3.802,42 5.792,43 3.716,44 4.545,45 4.781,46 3.628,47 3.739,48 5.565,49 3.659,50 4.546,51 4.788,52 3.625,53 3.656,54 5.625,55 3.603,56 0.124,57 0.786,58 9.254,59 4.291,60 17.407,61 5.113,62 0.435,63 1.202,64 17.73,65 7.364,66 33.231,67 8.913,68 0.558,69 1.366,70 24.212,71 8.922,72 50.803,73 11.132,74 0.785,75 1.334,76 27.015,77 9.295,78 103.943,79 11.348,80 0.632,81 1.227,82 25.996,83 8.572,84 87.435,85 11.099,86 0.727,87 1.11,88 23.818,89 8.487,90 77.422,91 11.238,92 0.314,93 1.09,94 20.339,95 7.176,96 37.5,97 10.122,98 0.425,99 0.998,100 22.113,101 7.197,102 44.056,103 9.845,104 17,105 47,106 0.275,107 0.63,108 0.771,109 0.835,110 0.835,111 0.835,112 3.471,113 0.856,114 -3.32,115 -3.31,116 -3.17,119 42.3,121 1,125 3,139 8,140 3,141 2,142 1,144 1,147 1,153 2,157 2,158 2,159 2,166 10,169 3,170 9,172 3,173 3,178 10,181 2,182 10,184 1,185 1,189 5,192 2,193 11,195 1,196 1,197 1,200 2,201 4,205 1,207 4,209 1,210 1,212 1,215 4,218 1,220 3,221 8,226 2,229 3,231 2,234 8,239 3,243 3,246 8,251 2,254 4,256 2,259 2,260 4,262 1,263 1,265 2,268 8,270 2,273 1684,274 20.982,275 20.982,276 20.982,277 20.982,278 20.982,279 18.544,280 25.667,281 12.395,282 21.478,283 16.74,284 16.74,285 16.74,286 16.74,287 16.74,288 13.002,289 30.491,290 5.869,291 17.519,292 4.038,293 1.895,294 1.038,295 0.654,296 0.654,297 0.654,298 4.168,301 1,302 1,303 1012,304 3.317,306 79.277,307 332.061,310 152.522,314 2.516,315 39.822,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 68.5,327 465,328 4.585,329 3.952,330 6.964,331 4.291,332 3.301,333 4.146,334 1.349,335 11.689,336 3.262,337 4.233,338 3.256,339 6.06,340 3.789,341 2.861,342 3.881,343 1.151,344 8.712,345 2.653,346 4.034,347 3.135,348 5.685,349 3.617,350 2.648,351 3.634,352 0.86,353 7.383,354 2.564,355 3.544,356 2.918,357 5.491,358 3.217,359 2.262,360 2.82,361 0.8,362 7.257,363 2.161,364 3.517,365 2.642,366 5.49,367 3.156,368 2.215,369 2.809,371 6.426,372 2.093,373 3.441,374 2.433,375 5.132,376 3.066,377 2.085,378 2.726,380 6.386,381 2.072,382 3.427,383 2.299,384 4.952,385 3.002,386 2.026,387 2.65,389 5.79,390 1.9,391 2.85,392 1.963,393 4.172,394 2.529,395 1.549,396 1.98,398 3.772,399 1.514,400 2.837,401 1.751,402 3.791,403 2.383,404 1.472,405 1.949,407 3.282,408 1.336,409 2.546,410 1.564,411 3.618,412 2.281,413 1.307,414 1.532,415 2.879,416 1.268,417 2.5,418 1.35,419 3.598,420 2,421 1,422 1.5,423 2.275,424 1,425 2.48,426 1.261,427 3.414,428 1.942,429 0.914,430 1.387,431 2.21,432 0.934,433 2.053,434 1.156,435 3.312,436 1.742,437 0.841,438 0.973,439 1.933,440 0.748,441 1.902,442 1,443 3.153,444 1.55,445 0.604,446 0.713,448 1.404,449 0.56,450 1.414,451 0.679,452 2.69,453 1.079,454 0.121,455 0.147,457 0.283,458 0.114,459 14.333,460 0.462,461 0.733,462 0.024,463 43.75,464 1.411,465 23,466 0.742,467 20.75,468 0.669,469 21.687,470 0.7,471 33.067,472 0.636,473 33.779,474 1.09,475 8.873,476 0.286,477 6.152,478 0.198,479 0.102,481 0.342,485 0.849,486 1.268,487 0.731,488 1.046,489 0.734,490 0.881,491 0.873,492 0.957,493 0.82,494 0.99,495 0.607,496 0.919,497 1.083,498 1.073,499 0.932,500 1.084,501 0.885,502 0.995,503 1.35,504 1.002,505 1.214,506 1.111,507 1.289,508 1.143,509 1.227,510 0.871,511 1.199,512 0.994,513 1.432,514 1.07,515 0.846,516 1.019,517 1.018,518 1.036,519 0.926,520 1.08,521 0.659,522 1.111,523 0.933,524 1.1,525 0.527,526 1.068,527 0.985,528 0.864,529 0.831,530 0.867,531 0.666,532 0.818,533 5.5,534 0.135,535 3.778,536 2.674,537 1.378,538 0.778,539 0.333,540 0.377,541 0.364,542 0.176,543 16217,544 49234,545 2.084,546 40.4,548 14,550 1,551 4,554 2,555 1.726,556 1.958,557 3.798,558 1.632,560 1,564 86.467,565 1.663,566 3.806,567 4.662,568 5.047,569 5.047,570 5.047,571 3.191,572 4.503,573 4.929,574 4.049,575 1882.78,576 8.549,577 29724,579 1,581 1,582 296.423,583 1.383,584 4.888,585 0.162,586 0.006,587 0.08,588 0.056,589 0.036,590 0.025,591 0.011,592 0.013,593 0.013,594 0.007,595 0.408,596 0.17,597 1,598 0.541,599 167.274,600 -0.107,601 -0.088,602 0.028,603 -0.02,604 -0.119,605 0.033,606 0.065,607 0.134,608 0.042,609 0.015,610 0.051,611 0.012,612 -0.021,613 -0.067,614 0.009,615 -0.089,616 0.009,617 -0.041,618 -0.111,619 -0.056,620 -0.212,621 -0.131,622 -0.003,623 -0.189,624 -0.184,625 0.07,626 -0.184,627 -0.016,628 -0.216,629 -0.079,630 0.162,631 -0.127,632 -0.006,633 -0.012,634 0.027,635 -0.048,636 -0.008,637 -0.123,638 0.028,639 -0.107,640 0.015,641 -0.037,642 -0.054,643 0.044,644 0.211,645 0.124,646 0.071,647 0.218,648 1.919,649 5.341,650 0.677,651 36.398,652 1.017,653 1.128,654 2.094,655 4.387,656 0.672,657 3.555,658 3.871,659 4.143,660 4.369,661 4.543,662 4.489,663 4.489,664 4.575,665 4.575,666 4.595,667 8.902,668 0.657,669 419.48,670 3.555,671 5.094,672 5.943,673 6.812,674 7.676,675 8.551,676 9.422,677 10.3,678 11.175,679 12.057,680 9.6,684 2,687 1,690 2,695 9,696 2,700 7,702 18,711 2,716 2,718 52,719 20,720 2,721 34,723 55,724 22,725 16,726 4,727 8,728 2,729 4,730 5,739 1,741 18,742 4,744 2,748 2,751 2,754 1,757 21,758 9,759 4,760 9,764 5,767 1,769 0.75,770 4,776 1,780 1,781 3,784 1,802 3,810 31,811 2,816 4,818 2,821 1,829 7.7,832 2,834 2,836 15.833,837 9.183,838 6.833,839 2.931,840 3.339,841 1.429,842 0.994,843 6.233,844 11.129,845 3.829,846 4.401,847 4.951,848 5.449,849 5.921,850 5.905,851 6.039,852 6.254,853 6.501,854 6.625,855 0.9,856 48,857 11.451,859 4.923,860 7.952,861 21.288,863 17.184,865 2.452,866 76,870 200.109,871 132.362,872 102.49,874 72.29,877 132.362,878 272.398,879 102.49,881 16.949,882 141.604,883 105.041,884 51.091,885 4.227,886 188.338,888 200.109,889 234.852,890 72.29,893 176.567,894 95.832,897 27.896,898 173.385,899 33.571,901 200.109,902 174.779,903 132.362,906 200.109,907 47.505,908 87.982,910 171.655,911 200.109,912 174.779,913 132.362,915 0.581,916 0.345,917 0.184,918 0.097,919 22,920 10,921 0.145,922 8,923 1,924 1.095,925 4.438,926 262.692,927 0.095,928 21,929 139.58,933 20.941,934 9.227,935 4.723,937 174.779,938 15.67,939 7.699,943 3.149,945 65.794,946 507.25,947 45,951 24.682,954 -0.505,956 52.887,957 58.651,958 0.292,959 0.668,960 0.818,961 0.885,962 0.885,963 0.885,964 5.059,965 1.549,966 5.922,967 5.79,968 4.554,969 5.088,970 2.295,971 6.723,972 4.473,973 6.255,974 1.472,975 7.478,976 3.772,977 4.111,978 4.832,979 0.325,980 7.621,981 4.01,982 7.554,983 1.307,984 9.137,985 3.282,986 6.138,987 7.23,988 2.502,989 10.735,990 5.989,991 8.888,992 1,993 10.859,994 2.879,995 6.538,996 7.779,997 0.931,998 12.521,999 6.381,1000 10.256,1001 0.914,1002 12.621,1003 2.275,1004 8.026,1005 9.654,1006 2.801,1007 15.174,1008 7.832,1009 11.648,1010 0.841,1011 14.414,1012 2.21,1013 8.832,1014 10.59,1015 1.621,1016 17.351,1017 8.636,1018 13.059,1019 0.604,1020 16.229,1021 1.933,1022 10.109,1023 12.235,1024 3.171,1025 19.863,1026 9.89,1027 3.301,1028 0.121,1029 18.064,1030 1.404,1031 11.112,1032 13.375,1033 2.316,1034 22.206,1035 10.893,1036 2.861,1037 11.689,1038 19.914,1039 0.283,1040 12.313,1041 14.905,1042 3.595,1043 24.676,1044 12.079,1045 2.648,1046 8.712,1047 21.777,1048 4.146,1049 13.409,1050 16.158,1051 2.996,1052 27.088,1053 13.175,1054 2.262,1055 7.383,1056 23.652,1057 3.881,1058 14.586,1059 17.627,1060 4.059,1061 29.547,1062 14.344,1063 2.215,1064 7.257,1065 25.537,1066 3.634,1067 15.726,1068 18.943,1069 3.659,1070 31.986,1071 15.482,1072 2.085,1073 6.426,1074 27.43,1075 2.82,1076 16.899,1077 20.38,1078 4.553,1079 34.442,1080 16.649,1081 2.026,1082 6.386,1083 29.331,1084 2.809,1085 18.061,1086 21.733,1087 4.307,1088 36.892,1089 17.808,1090 15216,1091 26664,1092 22.77,1093 34.938,1094 51.019,1095 53.187,1096 52.253,1097 50.433,1098 50.414,1099 65.693,1100 8.319,1101 143.361,1102 48.359,1103 5.536,1104 5.952,1105 6.644,1106 5.372,1107 5.301,1108 7.146,1109 2.549,1110 18.826,1111 5.262,1112 15.309,1113 1.501,1114 1.564,1115 1.537,1116 1.483,1117 1.483,1118 1.932,1119 0.245,1120 4.216,1121 1.422,1122 4.027,1123 4.047,1124 3.99,1125 3.932,1126 7.447,1127 3.94,1128 3.937,1129 3.962,1130 3.885,1131 3.85,1132 7.408,1133 3.852,1134 3.829,1135 3.877,1136 3.792,1137 3.64,1138 5.305,1139 3.676,1140 3.614,1141 3.673,1142 3.487,1143 3.455,1144 4.985,1145 3.453,1146 3.358,1147 3.391,1148 3.268,1149 3.151,1150 4.856,1151 3.174,1152 3.22,1153 3.277,1154 3.108,1155 3.005,1156 4.686,1157 3.018,1158 3.056,1159 3.167,1160 2.973,1161 2.843,1162 4.597,1163 2.858,1164 3.014,1165 3.021,1166 2.917,1167 2.758,1168 4.353,1169 2.792,1170 0.135,1171 0.116,1172 0.205,1173 0.126,1174 0.097,1175 4.585,1176 0.122,1177 3.952,1178 0.04,1179 6.964,1180 0.344,1181 4.291,1182 0.096,1183 3.301,1184 4.146,1185 1.349,1186 11.689,1187 3.262,1188 1.904,1189 1.882,1190 2.018,1191 2.02,1192 1.203,1193 2.015,1194 1.887,1195 1.868,1196 1.986,1197 1.959,1198 1.127,1199 1.968,1200 1.728,1201 1.684,1202 1.872,1203 1.947,1204 1.085,1205 1.914,1206 1.638,1207 1.58,1208 1.796,1209 1.851,1210 0.747,1211 1.853,1212 1.268,1213 1.24,1214 1.44,1215 1.548,1216 0.594,1217 1.509,1218 1.142,1219 1.094,1220 1.369,1221 1.426,1222 0.527,1223 1.408,1224 1.007,1225 0.994,1226 1.258,1227 1.333,1228 0.249,1229 1.326,1230 0.958,1231 0.857,1232 1.181,1233 1.198,1234 0.218,1235 1.168,1236 4.234,1238 5.549,1239 2.398,1240 7.057,1241 4.949,1242 8.652,1243 7.195,1244 10.292,1250 11.206,1252 1.51,1254 11.324,1257 1.265,1262 34.181,1263 86.467,1264 197.894,1265 242.423,1266 262.423,1267 262.423,1268 262.423,1269 62.418,1270 7.79,1271 135.35,1272 135.35,1273 23,1274 12.593,1275 4.392,1276 3.585,1277 50.076,1278 170,1279 150,1280 0.14,1281 209.983,1282 368.14,1283 504.12,1284 31931,1286 21.794,1287 0.703,1288 0.537,1289 21.794,1290 16.654,1291 15.025,1292 0.442,1293 0.285,1294 9.534,1295 14.338,1296 9.384,1297 7.744,1298 15.025,1299 9.705,1300 13.398,1301 0.285,1302 0.147,1303 13.398,1304 6.92,1305 11.497,1306 0.185,1307 0.077,1308 11.497,1309 4.792,1310 9.362,1311 0.12,1312 0.041,1313 9.362,1314 3.207,1315 7.293,1316 0.078,1317 0.023,1318 7.293,1319 2.114,1320 0.233,1321 95.098,1322 0.21,1323 30.23,1324 0.351,1325 162,1326 538.502,1327 182.313,1328 511.931,1329 693.27,1330 478,1331 190,1332 506.675,1333 210.619,1334 508.406,1335 745.88,1336 478,1337 4.804}
{0 CHEMBL175017,1 1.671,2 16.323,3 3.459,4 11.966,5 124.277,6 7.614,7 0.545,8 4.145,9 4.265,10 3.852,11 3.689,12 5.237,13 3.646,14 4.665,15 4.831,16 4.112,17 4.05,18 5.936,19 3.982,20 4.901,21 5.098,22 4.123,23 4.175,24 5.988,25 4.073,26 4.99,27 5.219,28 3.97,29 4.116,30 6.099,31 3.992,32 4.903,33 5.153,34 3.858,35 4.023,36 5.923,37 3.892,38 4.771,39 4.997,40 3.788,41 3.941,42 5.807,43 3.819,44 4.775,45 5.02,46 3.647,47 3.841,48 5.869,49 3.713,50 4.593,51 4.848,52 3.592,53 3.735,54 5.531,55 3.586,56 0.122,57 0.887,58 15.121,59 5.433,60 23.118,61 6.846,62 0.441,63 1.336,64 24.245,65 9.445,66 65.805,67 11.954,68 0.331,69 1.585,70 34.387,71 11.884,72 53.872,73 15.013,74 0.577,75 1.596,76 38.965,77 12.213,78 93.731,79 15.747,80 0.525,81 1.433,82 35.12,83 11.19,84 79.761,85 15.016,86 0.383,87 1.311,88 32.533,89 10.209,90 62.483,91 13.255,92 0.628,93 1.214,94 28.986,95 9.222,96 90.791,97 12.765,98 0.341,99 1.05,100 24.255,101 8.605,102 39.871,103 11.923,104 26,105 45,106 0.272,107 0.602,108 0.771,109 0.838,110 0.85,111 0.85,112 3.47,113 1.042,114 -4.06,115 -4.01,116 -3.8,119 37.9,120 1,121 3,125 2,139 8,140 3,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 12,169 2,170 5,172 3,173 5,175 2,178 13,180 1,182 9,187 4,189 10,191 1,193 9,195 1,196 1,197 1,198 4,200 2,201 4,204 2,205 1,207 9,210 1,212 4,215 6,218 3,221 7,226 4,229 7,231 3,233 2,239 4,241 5,243 2,245 2,246 2,248 1,249 1,251 4,254 4,256 2,260 6,265 1,268 2,273 1748,274 20.455,275 20.455,276 20.455,277 20.455,278 20.455,279 17.863,280 24.042,281 12.201,282 20.943,283 16.272,284 16.272,285 16.272,286 16.272,287 16.272,288 12.411,289 24.807,290 5.833,291 17.084,292 4.187,293 2.155,294 1.116,295 0.703,296 0.634,297 0.634,298 4.151,301 1,302 1,303 1068,304 4.062,307 379.15,314 2.549,315 36.309,318 1,319 0.83,320 0.83,321 0.8,322 0.5,323 0.83,324 0.5,325 0.76,326 67.5,327 506,328 4.844,329 4.683,330 7.293,331 4.291,332 3.374,333 4.697,334 0.86,335 12.404,336 3.065,337 4.258,338 3.123,339 6.094,340 3.861,341 2.894,342 3.902,343 0.68,344 8.876,345 2.805,346 4.011,347 2.884,348 5.474,349 3.575,350 2.615,351 3.615,353 7.319,354 2.509,355 3.835,356 2.562,357 5.149,358 3.4,359 2.401,360 3.393,362 6.415,363 2.398,364 3.547,365 2.549,366 5.143,367 3.179,368 2.242,369 2.86,371 6.32,372 2.09,373 3.353,374 2.186,375 4.907,376 2.944,377 2.008,378 2.638,380 5.616,381 1.87,382 3.086,383 1.961,384 4.733,385 2.745,386 1.769,387 2.292,389 4.771,390 1.722,391 2.826,392 1.736,393 4.128,394 2.571,395 1.581,396 1.953,398 3.665,399 1.562,400 2.749,401 1.56,402 3.789,403 2.351,404 1.418,405 1.752,407 3.479,408 1.32,409 2.5,410 1.368,411 3.414,412 2.017,413 1.083,414 1.5,415 2.317,416 1.004,417 2.5,418 1,419 3.414,420 2,421 1,422 1.5,423 2.275,424 1,425 2.183,426 1,427 3.401,428 2,429 1,430 1.157,431 2.275,432 1,433 1.691,434 0.791,435 3.087,436 1.429,437 0.486,438 0.559,439 1.135,440 0.455,441 1.44,442 0.61,443 2.906,444 1.207,445 0.281,446 0.315,448 0.639,449 0.258,450 1.12,451 0.366,452 2.629,453 0.79,454 -0.169,455 -0.197,457 -0.382,458 -0.16,459 14.833,460 0.478,461 0.841,462 0.027,463 41.75,464 1.347,465 22.5,466 0.726,467 19.25,468 0.621,469 24.321,470 0.785,471 34.367,472 0.593,473 31.641,474 1.021,475 8.042,476 0.259,477 6.789,478 0.219,479 0.133,480 0.056,481 0.236,485 0.736,486 1.29,487 0.874,488 1.207,489 0.837,490 0.97,491 0.684,492 0.979,493 0.875,494 1.02,495 0.52,496 0.992,497 1.12,498 1.202,499 1.175,500 1.214,501 0.894,502 1.104,503 1.352,504 0.992,505 1.219,506 1.087,507 1.354,508 1.085,509 1.151,510 0.898,511 0.992,512 0.901,513 1.27,514 0.942,515 1.12,516 1.145,517 1.251,518 1.247,519 1.069,520 1.12,521 1.16,522 0.924,523 0.91,524 0.86,525 1.337,526 1.022,527 0.587,528 0.962,529 0.77,530 0.971,531 0.423,532 1.027,533 7.5,534 0.136,535 3.778,536 1.688,537 1.498,538 0.764,539 0.464,540 0.351,541 0.214,542 0.232,543 16075,544 46058,545 2.004,546 46.6,547 5,548 12,550 1,551 5,553 4,555 1.725,556 1.869,557 3.932,558 2.413,560 1,564 96.909,565 1.671,566 3.703,567 4.742,568 5.155,569 5.224,570 5.224,571 3.37,572 4.567,573 4.929,574 4.149,575 1929.39,576 8.543,577 31300.7,579 1,582 339.763,583 1.525,584 4.873,585 0.227,586 0.006,587 0.084,588 0.038,589 0.042,590 0.023,591 0.015,592 0.013,593 0.009,594 0.01,595 0.467,596 0.17,597 1,598 0.584,599 168.886,600 0.012,601 -0.029,602 0.178,603 -0.017,604 -0.193,605 0.055,606 0.277,607 0.133,608 0.069,609 0.026,610 0.308,611 0.001,612 -0.126,613 -0.155,614 -0.107,615 -0.123,616 -0.025,617 -0.101,618 -0.179,619 -0.019,620 -0.173,621 -0.084,622 -0.121,623 -0.116,624 -0.1,625 0.029,626 -0.015,627 0.061,628 -0.131,629 0.041,630 -0.123,631 -0.155,632 -0.166,633 -0.181,634 -0.093,635 -0.118,636 0.022,637 -0.03,638 -0.057,639 0.006,640 -0.085,641 -0.068,642 0.217,643 -0.049,644 0.124,645 -0.024,646 0.117,647 -0.016,648 4.385,649 5.234,650 0.581,651 38.98,652 1.005,653 1.131,654 2.833,655 8.028,656 0.662,657 3.526,658 3.829,659 3.989,660 4.127,661 4.317,662 4.263,663 4.19,664 4.205,665 4.234,666 4.263,667 9.405,668 0.625,669 441.61,670 3.526,671 5.056,672 5.866,673 6.718,674 7.545,675 8.397,676 9.231,677 10.084,678 10.92,679 11.774,680 8.6,682 1,684 2,690 2,695 9,696 2,700 7,702 18,711 2,716 1,718 58,719 20,720 2,721 33,723 60,724 22,725 16,726 4,727 8,729 3,730 3,734 1,739 3,741 16,742 6,744 2,747 1,748 2,754 1,757 27,758 8,759 5,760 9,761 1,764 5,769 1,770 3,776 1,781 3,802 3,804 1,806 1,810 31,811 2,814 1,816 5,817 1,818 1,829 5.2,832 2,834 1,836 16.583,837 10.233,838 6.819,839 3.279,840 2.978,841 1.409,842 0.981,843 7.853,844 10.255,845 3.807,846 4.413,847 4.858,848 5.314,849 5.821,850 5.859,851 5.933,852 6.103,853 6.369,854 6.622,855 0.909,856 44,857 11.631,859 5.031,860 7.89,861 21.698,863 17.493,865 2.39,866 74.083,869 1,870 258.964,871 134.37,872 115.77,874 55.313,876 5.807,877 128.562,878 314.277,879 115.77,880 8.825,881 14.302,882 163.817,883 89.655,884 36.398,885 4.227,886 247.193,888 258.964,889 244.333,890 55.313,891 5.807,893 211.88,894 102.397,897 50.478,898 160.283,899 39.378,901 258.964,902 171.083,903 134.37,905 5.807,906 258.964,907 34.88,908 93.683,909 16.405,910 154.678,911 258.964,912 171.083,913 134.37,915 0.581,916 0.32,917 0.154,918 0.086,919 19,920 9,921 0.167,922 10,924 1,925 4.429,926 247.757,928 18,929 143.58,932 1,933 23.01,934 10.579,935 6.926,937 171.083,938 16.126,939 7.939,943 4.465,945 82.199,946 564.417,947 44,950 -3.468,951 24.468,956 58.287,957 65.607,958 0.285,959 0.632,960 0.809,961 0.88,962 0.892,963 0.892,964 5.027,965 1.581,966 5.866,967 4.771,968 4.511,969 5.1,970 1.225,971 6.648,972 4.416,973 6.253,974 1.418,975 7.42,976 3.665,977 4.205,978 5.121,980 7.774,981 4.022,982 7.586,983 1.083,984 9.089,985 3.479,986 6.129,987 7.376,988 0.925,989 10.748,990 5.918,991 8.963,992 1,993 10.833,994 2.317,995 6.635,996 8.206,998 12.767,999 6.306,1000 10.376,1001 1,1002 12.631,1003 2.275,1004 8.076,1005 9.998,1006 0.697,1007 15.377,1008 7.716,1009 11.817,1010 0.486,1011 14.47,1012 2.275,1013 8.955,1014 11.191,1016 17.725,1017 8.465,1018 13.28,1019 0.281,1020 16.34,1021 1.135,1022 10.222,1023 12.815,1024 0.525,1025 20.255,1026 9.682,1027 3.374,1028 -0.169,1029 18.234,1030 0.639,1031 11.274,1032 14.182,1034 22.713,1035 10.607,1036 2.894,1037 12.404,1038 20.149,1039 -0.382,1040 12.483,1041 15.743,1042 0.395,1043 25.228,1044 11.744,1045 2.615,1046 8.876,1047 22.078,1048 4.697,1049 13.615,1050 17.196,1052 27.724,1053 12.755,1054 2.401,1055 7.319,1056 24.02,1057 3.902,1058 14.81,1059 18.736,1060 0.298,1061 30.238,1062 13.863,1063 2.242,1064 6.415,1065 25.971,1066 3.615,1067 15.98,1068 20.232,1070 32.748,1071 14.918,1072 2.008,1073 6.32,1074 27.93,1075 3.393,1076 17.175,1077 21.767,1078 0.224,1079 35.263,1080 16.016,1081 1.769,1082 5.616,1083 29.895,1084 2.86,1085 18.363,1086 23.286,1088 37.777,1089 17.094,1090 15533,1091 26471,1092 21.553,1093 38.415,1094 48.311,1095 49.568,1096 49.502,1097 48.326,1098 48.304,1099 64.265,1100 3.08,1101 135.014,1102 46.117,1103 5.788,1104 6.683,1105 7.103,1106 5.361,1107 5.374,1108 7.697,1109 1.72,1110 19.553,1111 5.065,1112 17.317,1113 1.464,1114 1.502,1115 1.5,1116 1.464,1117 1.464,1118 1.947,1119 0.093,1120 4.091,1121 1.397,1122 4.081,1123 4.068,1124 4.735,1125 4.067,1126 7.717,1127 3.982,1128 3.971,1129 4,1130 3.923,1131 3.89,1132 6.999,1133 3.889,1134 3.805,1135 3.851,1136 3.759,1137 3.649,1138 5.291,1139 3.67,1140 3.723,1141 3.765,1142 3.727,1143 3.624,1144 4.979,1145 3.579,1146 3.583,1147 3.599,1148 3.479,1149 3.466,1150 4.844,1151 3.423,1152 3.245,1153 3.311,1154 3.133,1155 3.039,1156 4.703,1157 3.053,1158 3.131,1159 3.226,1160 2.966,1161 2.92,1162 4.458,1163 2.912,1164 3.027,1165 3.125,1166 2.851,1167 2.815,1168 4.328,1169 2.788,1170 0.147,1171 0.142,1172 0.221,1173 0.13,1174 0.102,1175 4.844,1176 0.142,1177 4.683,1178 0.026,1179 7.293,1180 0.376,1181 4.291,1182 0.093,1183 3.374,1184 4.697,1185 0.86,1186 12.404,1187 3.065,1188 1.973,1189 1.977,1190 2.047,1191 2.05,1192 1.291,1193 2.083,1194 1.937,1195 1.911,1196 2.026,1197 2.039,1198 1.204,1199 2.044,1200 1.739,1201 1.695,1202 1.935,1203 1.927,1204 1.181,1205 1.92,1206 1.686,1207 1.638,1208 1.814,1209 1.857,1210 0.876,1211 1.869,1212 1.482,1213 1.484,1214 1.555,1215 1.654,1216 0.818,1217 1.697,1218 1.194,1219 1.131,1220 1.498,1221 1.445,1222 0.672,1223 1.46,1224 1.114,1225 1.028,1226 1.378,1227 1.386,1228 0.394,1229 1.402,1230 0.972,1231 0.914,1232 1.229,1233 1.291,1234 0.345,1235 1.301,1236 4.205,1238 5.509,1240 6.997,1242 8.565,1244 10.175,1246 1.919,1250 11.39,1252 2.887,1253 2.62,1254 5.738,1262 36.233,1263 96.909,1264 214.763,1265 275.008,1266 299.008,1267 303.008,1268 303.008,1269 71.984,1270 7.277,1271 133.22,1272 141.6,1273 18,1274 12.333,1275 4.392,1276 3.585,1277 59.037,1278 180,1279 151,1280 0.155,1281 230.366,1282 395.5,1283 553.854,1284 16821,1286 22.269,1287 0.718,1288 0.588,1289 22.519,1290 18.23,1291 14.831,1292 0.449,1293 0.347,1294 9.982,1295 13.524,1296 9.601,1297 8.017,1298 15.652,1299 11.466,1300 13.676,1301 0.304,1302 0.2,1303 15,1304 8.993,1305 10.516,1306 0.198,1307 0.117,1308 11.624,1309 6.175,1310 7.875,1311 0.129,1312 0.065,1313 8.742,1314 3.992,1315 6.21,1316 0.084,1317 0.039,1318 6.928,1319 2.869,1320 0.261,1321 100.974,1322 0.215,1323 30.523,1324 0.383,1325 156,1326 472.315,1327 208.168,1328 479.968,1329 645.97,1330 442,1331 176,1332 443.966,1333 233.71,1334 487.013,1335 698.99,1336 455,1337 5.763}
{0 CHEMBL175577,1 1.856,2 8.632,3 2.797,4 7.822,5 77.66,6 9.651,7 0.6,8 3.557,9 3.673,10 3.319,11 3.097,12 4.801,13 3.094,14 4.008,15 4.156,16 3.724,17 3.444,18 5.274,19 3.42,20 4.178,21 4.32,22 3.935,23 3.553,24 5.499,25 3.506,26 4.202,27 4.376,28 3.541,29 3.417,30 5.378,31 3.341,32 4.17,33 4.4,34 3.282,35 3.292,36 5.331,37 3.192,38 4.083,39 4.365,40 3.257,41 3.211,42 5.045,43 3.095,44 3.755,45 3.937,46 3.264,47 3.139,48 4.961,49 3.063,50 3.868,51 4.12,52 3.423,53 3.073,54 5.057,55 2.948,56 0.118,57 0.456,58 4.04,59 2.321,60 13.248,61 2.652,62 0.268,63 0.647,64 9.299,65 4.309,66 23.007,67 5.081,68 0.445,69 0.697,70 16.685,71 4.777,72 33.732,73 5.348,74 0.435,75 0.666,76 16.133,77 5.509,78 37.494,79 6.175,80 0.523,81 0.666,82 16.831,83 4.272,84 54.464,85 5.047,86 0.408,87 0.566,88 21.371,89 5.611,90 36.458,91 7.626,92 0.172,93 0.511,94 6.346,95 2.889,96 17.397,97 3.573,98 0.299,99 0.431,100 14.227,101 4.002,102 29.917,103 5.45,104 26,105 28,106 0.354,107 0.716,108 0.8,109 0.866,110 0.878,111 0.878,112 3.009,113 0.929,114 -4.02,115 -3.97,116 -3.76,119 38.7,120 1,125 1,139 3,140 1,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 2,172 3,173 3,178 4,181 2,182 3,184 1,185 1,189 6,193 2,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,207 3,209 1,210 1,212 1,215 1,218 1,221 5,226 2,229 2,231 2,234 2,239 2,241 1,243 2,246 2,251 3,254 1,256 3,260 2,265 2,268 1,270 2,273 395,274 12.223,275 12.223,276 12.223,277 12.223,278 12.223,279 10.513,280 15.208,281 7.048,282 12.75,283 9.812,284 9.812,285 9.812,286 9.812,287 9.812,288 7.341,289 19.552,290 3.328,291 10.819,292 3.098,293 1.197,294 0.758,295 0.411,296 0.347,297 0.347,298 3.66,299 2,300 1,301 1,302 1,303 337,304 2.345,307 129.851,314 1.163,315 21.403,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 41.667,327 164,328 4.383,329 3.334,330 6.418,331 3.951,332 3.015,333 4.071,334 1.151,335 9.77,336 2.816,337 4.212,338 3.255,339 5.95,340 3.733,341 2.823,342 3.868,344 8.319,345 2.566,346 3.541,347 2.674,348 5.21,349 3.144,350 2.238,351 2.851,353 6.431,354 1.943,355 3.436,356 2.296,357 5.008,358 2.999,359 2.084,360 2.752,362 5.902,363 1.865,364 3.232,365 2.136,366 4.879,367 2.815,368 1.879,369 2.481,371 5.225,372 1.755,373 2.82,374 2.088,375 4.043,376 2.306,377 1.414,378 1.949,380 3.527,381 1.199,382 2.148,383 1.567,384 3.573,385 1.883,386 1.022,387 1.116,389 2.441,390 0.866,391 1.511,392 0.832,393 2.891,394 1.145,395 0.287,396 0.335,398 0.671,399 0.217,400 1.14,401 0.488,402 2.653,403 0.704,404 -0.081,405 -0.095,407 -0.189,408 -0.057,409 1,410 -0.06,411 2.381,412 0.575,413 -0.347,414 -0.445,415 -0.898,416 -0.32,417 0.726,418 -0.153,419 2.324,420 0.27,421 -0.617,422 -0.726,423 -1.472,424 -0.443,425 0.434,426 -0.359,427 1.877,428 0.208,429 -0.699,430 -0.818,431 -1.668,432 -0.615,433 0.108,434 -0.584,435 1.468,436 -0.229,437 -1.096,438 -1.288,439 -2.888,440 -0.865,441 -0.17,442 -1.053,443 1.452,444 -0.565,445 -1.414,446 -1.743,448 -3.693,449 -1.119,450 -0.196,451 -1.129,452 1.281,453 -0.588,454 -1.448,455 -1.848,457 -4.024,458 -1.277,459 9.362,460 0.493,461 0.617,462 0.032,463 26,464 1.368,465 13.5,466 0.711,467 12.5,468 0.658,469 13.486,470 0.71,471 20.638,472 0.666,473 16.764,474 0.882,475 5.207,476 0.274,477 3.762,478 0.198,479 0.291,481 0.374,485 0.919,486 1.234,487 0.544,488 0.769,489 1.112,490 0.746,491 0.836,492 0.923,493 0.552,494 0.739,495 0.567,496 0.725,497 1.059,498 1.081,499 0.894,500 0.974,501 0.897,502 1.004,503 1.407,504 1.208,505 1.004,506 1.165,507 0.995,508 1.203,509 1.219,510 0.791,511 1.073,512 0.962,513 1.547,514 1.158,515 0.55,516 0.754,517 0.552,518 0.664,519 0.465,520 0.612,521 0.836,522 1.369,523 0.772,524 0.983,525 1.152,526 1.13,527 0.499,528 1.031,529 0.726,530 0.873,531 0.607,532 0.845,533 5,534 0.041,535 2.667,536 1.563,537 1.098,538 0.514,539 0.243,540 0.33,541 0.234,542 0.076,543 3096,544 12418,545 1.935,546 38.7,548 5,551 4,552 3,555 1.6,556 1.754,557 3.07,558 2.09,560 1,562 1,564 57.541,565 1.856,566 3.757,567 4.196,568 4.543,569 4.607,570 4.607,571 2.445,572 3.827,573 4.224,574 3.195,575 546.416,576 7.176,577 5439.75,578 1,579 1,580 1,581 1,582 153.58,583 1.568,584 4.14,585 0.25,586 0.014,587 0.095,588 0.056,589 0.052,590 0.034,591 0.014,592 0.021,593 0.017,594 0.009,595 0.562,596 0.5,597 1,598 0.73,599 82.895,600 -0.182,601 -0.008,602 -0.018,603 0.066,604 -0.322,605 0.069,606 0.07,607 0.165,608 0.129,609 0.165,610 0.183,611 0.17,612 0.034,613 -0.01,614 0.014,615 -0.051,616 0.011,617 -0.141,618 -0.232,619 -0.278,620 -0.174,621 -0.218,622 -0.062,623 -0.27,624 -0.238,625 0.242,626 -0.277,627 -0.102,628 -0.448,629 -0.267,630 0.235,631 0.043,632 0.323,633 0.356,634 0.309,635 0.527,636 -0.197,637 -0.224,638 -0.109,639 -0.134,640 -0.321,641 -0.255,642 0.291,643 -0.154,644 0.34,645 0.142,646 0.337,647 0.231,648 1.545,649 2.096,650 0.632,651 11.823,652 1.026,653 1.134,654 2.792,655 7.797,656 0.71,657 3.045,658 3.367,659 3.555,660 3.714,661 3.829,662 3.784,663 3.555,664 3.689,665 3.761,666 3.714,667 5.105,668 0.68,669 299.18,670 3.045,671 4.575,672 5.398,673 6.26,674 7.096,675 7.958,676 8.797,677 9.659,678 10.5,679 11.363,680 12.9,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,717 2,718 31,719 12,720 1,721 20,723 32,724 12,725 10,726 3,727 3,729 2,730 2,731 2,734 1,741 10,742 2,753 1,754 1,757 12,758 5,759 4,760 7,761 2,764 4,769 1,770 1,776 1,781 2,802 2,806 1,807 2,810 19,811 2,816 1,818 1,828 2,829 3.2,834 1,836 10.833,837 5.769,838 4.167,839 1.57,840 2.231,841 1.363,842 0.97,843 4.342,844 8.369,845 3.296,846 3.932,847 4.437,848 4.913,849 5.362,850 5.362,851 5.159,852 5.524,853 5.955,854 6.278,855 0.833,856 28,857 6.916,859 2.843,860 7.968,861 12.743,863 9.849,865 2.468,866 46.889,870 94.169,871 64.26,872 99.365,873 78.297,874 11,877 64.26,878 183.466,879 99.365,880 8.825,881 4.592,882 94.223,883 33.571,884 29.187,885 4.227,886 94.169,887 78.297,888 94.169,889 163.626,890 11,891 78.297,893 94.169,894 11,897 18.073,898 111.981,899 111.868,901 94.169,902 110.365,903 142.558,906 94.169,907 27.006,908 37.254,910 188.663,911 94.169,912 110.365,913 142.558,915 0.593,916 0.34,917 0.165,918 0.081,919 13,920 7,921 0.094,922 3,924 1,925 3.071,926 131.345,928 12,929 80.711,933 14.181,934 5.817,935 3.405,937 110.365,938 5.254,939 7.843,943 3.176,945 65.794,946 347.092,947 26,956 31.8,957 35.167,958 0.375,959 0.758,960 0.847,961 0.917,962 0.93,963 0.93,964 4.522,965 0.287,966 5.407,967 2.441,968 4.043,969 4.615,970 1.294,971 6.188,972 3.854,973 5.757,974 -0.081,975 6.965,976 0.671,977 3.761,978 4.559,980 7.034,981 3.442,982 7.076,983 -0.347,984 8.617,985 -0.189,986 5.624,987 6.834,988 1.506,989 10.07,990 5.285,991 8.426,992 -0.617,993 10.318,994 -0.898,995 6.066,996 7.487,998 11.671,999 5.593,1000 9.801,1001 -0.699,1002 12.051,1003 -1.472,1004 7.467,1005 9.306,1006 1.731,1007 14.25,1008 6.981,1009 11.192,1010 -1.096,1011 13.806,1012 -1.668,1013 8.245,1014 10.299,1016 16.194,1017 7.64,1018 12.597,1019 -1.414,1020 15.576,1021 -2.888,1022 9.461,1023 11.916,1024 1.968,1025 18.595,1026 8.829,1027 3.015,1028 -1.448,1029 17.36,1030 -3.693,1031 10.4,1032 13.088,1034 20.704,1035 9.665,1036 2.823,1037 9.77,1038 19.153,1039 -4.024,1040 11.538,1041 14.601,1042 2.214,1043 23.03,1044 10.763,1045 2.238,1046 8.319,1047 20.956,1048 4.071,1049 12.554,1050 15.87,1052 25.219,1053 11.689,1054 2.084,1055 6.431,1056 22.766,1057 3.868,1058 13.661,1059 17.328,1060 2.468,1061 27.512,1062 12.744,1063 1.879,1064 5.902,1065 24.581,1066 2.851,1067 14.713,1068 18.65,1070 29.742,1071 13.717,1072 1.414,1073 5.225,1074 26.403,1075 2.752,1076 15.808,1077 20.078,1078 2.727,1079 32.022,1080 14.753,1081 1.022,1082 3.527,1083 28.228,1084 2.481,1085 16.878,1086 21.43,1088 34.273,1089 15.749,1090 3180,1091 6477,1092 12.542,1093 22,1094 29.766,1095 31.041,1096 31.144,1097 29.713,1098 29.525,1099 38.844,1100 2.302,1101 84.571,1102 26.453,1103 5.216,1104 5.334,1105 5.766,1106 5.02,1107 5.015,1108 7.071,1109 2.302,1110 16.605,1111 4.816,1112 11.688,1113 1.488,1114 1.552,1115 1.557,1116 1.486,1117 1.476,1118 1.942,1119 0.115,1120 4.229,1121 1.323,1122 3.95,1123 3.976,1124 4.116,1125 3.883,1126 5.298,1127 3.875,1128 3.85,1129 3.888,1130 3.858,1131 3.691,1132 5.042,1133 3.721,1134 3.253,1135 3.309,1136 3.415,1137 3.075,1138 4.983,1139 3.072,1140 3.183,1141 3.277,1142 3.377,1143 2.95,1144 4.609,1145 2.95,1146 3.057,1147 3.166,1148 3.03,1149 2.792,1150 4.49,1151 2.793,1152 2.877,1153 2.921,1154 2.98,1155 2.756,1156 4.329,1157 2.762,1158 2.637,1159 2.726,1160 2.727,1161 2.372,1162 4.072,1163 2.372,1164 2.472,1165 2.579,1166 2.401,1167 2.129,1168 3.856,1169 2.12,1170 0.219,1171 0.167,1172 0.321,1173 0.198,1174 0.151,1175 4.383,1176 0.204,1177 3.334,1178 0.058,1179 6.418,1180 0.489,1181 3.951,1182 0.141,1183 3.015,1184 4.071,1185 1.151,1186 9.77,1187 2.816,1188 1.898,1189 1.882,1190 1.971,1191 2.013,1192 1.135,1193 1.996,1194 1.769,1195 1.728,1196 1.86,1197 1.93,1198 0.91,1199 1.925,1200 1.168,1201 1.128,1202 1.491,1203 1.462,1204 0.579,1205 1.484,1206 1.164,1207 1.067,1208 1.379,1209 1.426,1210 0.39,1211 1.416,1212 0.956,1213 0.852,1214 1.256,1215 1.321,1216 0.161,1217 1.323,1218 0.867,1219 0.824,1220 1.081,1221 1.012,1223 1.054,1224 0.551,1225 0.476,1226 0.892,1227 0.912,1229 0.923,1230 0.42,1231 0.289,1232 0.713,1233 0.696,1235 0.729,1236 3.714,1238 5.03,1240 6.535,1242 8.129,1244 9.766,1246 1.749,1247 11.765,1250 11.219,1252 0.287,1254 5.596,1262 21.089,1263 57.541,1264 116.461,1265 130.07,1266 140.825,1267 142.825,1268 142.825,1269 30.161,1270 6.138,1271 87.05,1272 87.05,1273 12,1274 11.916,1275 3.7,1276 2.807,1277 33.791,1278 59,1279 50,1280 0.29,1281 141.367,1282 237.01,1283 336.694,1284 3079,1285 6.5,1286 13.991,1287 0.736,1288 0.614,1289 14.991,1290 11.664,1291 8.969,1292 0.448,1293 0.31,1294 5.411,1295 8.074,1296 5.181,1297 4.305,1298 9.547,1299 6.19,1300 8.406,1301 0.3,1302 0.169,1303 9.148,1304 4.733,1305 6.625,1306 0.195,1307 0.094,1308 7.54,1309 3.185,1310 5.194,1311 0.13,1312 0.047,1313 5.596,1314 1.891,1315 3.513,1316 0.078,1317 0.025,1318 3.893,1319 1.111,1320 0.451,1321 62.468,1322 0.282,1323 19.045,1324 0.8,1325 96,1326 324.057,1327 136.965,1328 374.819,1329 486.91,1330 346,1331 110,1332 311.504,1333 147.21,1334 335.39,1335 487.53,1336 313,1337 5.339}
{0 CHEMBL175747,1 1.382,2 8.667,3 2.788,4 7.772,5 75.913,6 6.732,7 0.632,8 3.651,9 3.804,10 3.117,11 3.179,12 4.757,13 3.137,14 4.134,15 4.337,16 3.421,17 3.534,18 5.187,19 3.451,20 4.357,21 4.595,22 3.409,23 3.639,24 5.275,25 3.531,26 4.411,27 4.661,28 3.274,29 3.606,30 5.36,31 3.453,32 4.47,33 4.772,34 2.982,35 3.507,36 5.318,37 3.317,38 4.331,39 4.67,40 2.865,41 3.332,42 5.038,43 3.132,44 3.989,45 4.277,46 2.945,47 3.161,48 4.887,49 3.037,50 3.852,51 4.098,52 2.867,53 3.063,54 4.93,55 2.961,56 0.053,57 0.547,58 8.194,59 2.998,60 9.618,61 4.492,62 0.16,63 0.818,64 13.705,65 5.439,66 20.007,67 7.836,68 0.136,69 0.949,70 17.525,71 5.952,72 17.568,73 9.209,74 0.173,75 0.956,76 18.617,77 6.524,78 27.904,79 9.951,80 0.24,81 0.916,82 20.525,83 5.915,84 36.513,85 9.665,86 0.164,87 0.737,88 17.891,89 5.851,90 24.514,91 9.231,92 0.084,93 0.595,94 12.295,95 4.189,96 15.961,97 6.538,98 0.102,99 0.562,100 10.673,101 3.069,102 19.327,103 5.042,104 10,105 25,106 0.255,107 0.606,108 0.732,109 0.802,110 0.836,111 0.836,112 2.959,113 0.962,114 -4.27,115 -4.21,116 -3.98,119 38.9,120 1,121 3,139 5,140 2,143 1,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 3,172 3,173 3,175 1,178 12,180 1,182 2,187 1,189 10,191 1,193 3,195 1,196 1,197 1,198 4,200 2,201 7,204 4,205 1,207 2,212 2,215 6,218 2,221 2,226 2,229 4,231 2,234 4,239 3,241 3,243 3,246 4,251 3,254 2,256 3,260 2,265 3,268 1,270 3,273 356,274 11.983,275 11.983,276 11.983,277 11.983,278 11.983,279 10.35,280 12.627,281 7.281,282 12.17,283 9.378,284 9.378,285 9.378,286 9.378,287 9.378,288 7.05,289 13.245,290 3.466,291 9.683,292 3.788,293 1.882,294 1.198,295 0.82,296 0.632,297 0.632,298 3.615,300 1,301 1,302 1,303 324,304 2.345,307 124.86,314 1.185,315 11.955,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 38,327 156,328 4.38,329 3.194,330 6.417,331 3.974,332 3.011,333 4.069,335 9.765,336 2.903,337 3.896,338 2.716,339 5.34,340 3.518,341 2.519,342 3.444,344 6.965,345 2.517,346 3.473,347 2.3,348 5.015,349 3.057,350 2.133,351 2.791,353 5.938,354 1.966,355 3.232,356 2.089,357 4.879,358 2.815,359 1.879,360 2.481,362 5.225,363 1.756,364 2.942,365 1.658,366 3.753,367 2.571,368 1.575,369 2.11,371 3.301,372 1.568,373 2.5,374 1.388,375 3.529,376 2.199,377 1.211,378 1.5,380 2.696,381 1.196,382 2.363,383 1,384 3.247,385 2,386 1,387 1.351,389 2.136,390 1,391 1.616,392 0.701,393 2.976,394 1.43,395 0.456,396 0.507,398 1.098,399 0.443,400 1,401 -0.105,402 2.653,403 0.681,404 -0.305,405 -0.359,407 -0.719,408 -0.299,409 0.95,410 -0.16,411 2.378,412 0.575,413 -0.347,414 -0.445,415 -0.898,416 -0.32,417 0.51,418 -0.361,419 1.687,420 0.249,421 -0.674,422 -0.745,423 -1.486,424 -0.622,425 0.5,426 -0.787,427 1.555,428 0.083,429 -0.909,430 -1.123,431 -1.965,432 -0.903,433 0.336,434 -1,435 1.468,437 -1,438 -1.5,439 -2.347,440 -1,441 -0.221,442 -1.22,443 1.42,444 -0.495,445 -1.456,446 -1.734,448 -3.729,449 -1.353,450 -0.232,451 -1.388,452 1.018,453 -0.571,454 -1.532,455 -2.036,457 -4.493,458 -1.463,459 8.6,460 0.478,461 0.421,462 0.023,463 24,464 1.333,465 13,466 0.722,467 11,468 0.611,469 12.482,470 0.693,471 19.6,472 0.544,473 14.278,474 0.793,475 4.649,476 0.258,477 4.015,478 0.223,479 0.151,481 0.291,485 1.166,486 1.204,487 0.951,488 1.01,489 1.319,490 0.964,491 0.357,492 1.003,493 0.835,494 1.091,495 0.366,496 1.029,497 1.089,498 1.127,499 1.045,500 1.073,501 0.92,502 1.057,503 0.824,504 1.234,505 1.17,506 1.324,507 0.812,508 1.292,509 1.525,510 0.867,511 1.282,512 0.977,513 1.599,514 1.082,515 0.778,516 0.665,517 0.749,518 0.695,519 0.779,520 0.715,521 0.672,522 0.983,523 0.68,524 0.843,525 0.629,526 0.775,527 1.496,528 1.248,529 1.175,530 1.101,531 1.405,532 1.101,533 3.5,534 0.025,535 1.778,536 1.313,537 0.716,538 0.236,539 0.325,540 0.156,541 0.123,542 0.094,543 2875,544 6993,545 1.994,546 50,547 6,548 5,551 4,552 3,555 1.581,556 1.862,557 3.072,558 1.996,560 1,562 1,564 49.756,565 1.382,566 3.288,567 3.972,568 4.35,569 4.538,570 4.538,571 2.447,572 3.281,573 4.145,574 3.21,575 491.148,576 7.007,577 4778.71,578 1,579 1,581 1,582 186.117,583 1.415,584 4.096,585 0.184,586 0.008,587 0.071,588 0.055,589 0.038,590 0.018,591 0.025,592 0.01,593 0.009,594 0.012,595 0.431,596 0.17,597 1,598 0.662,599 77.591,600 -0.161,601 0.049,602 0.003,603 0.084,604 -0.234,605 0.066,606 0.474,607 0.11,608 0.11,609 -0.017,610 0.37,611 0.001,612 -0.128,613 -0.074,614 -0.083,615 -0.063,616 -0.117,617 -0.067,618 0.075,619 -0.227,620 -0.216,621 -0.323,622 0.1,623 -0.306,624 -0.345,625 0.079,626 -0.289,627 -0.075,628 -0.393,629 -0.159,630 0.035,631 0.144,632 0.224,633 0.248,634 0.039,635 0.256,636 0.136,637 -0.073,638 0.286,639 0.148,640 0.219,641 0.22,642 -0.231,643 -0.178,644 -0.18,645 -0.162,646 -0.165,647 -0.165,648 1.42,649 1.871,650 0.667,651 11.778,652 0.989,653 1.136,654 3.044,655 9.266,656 0.649,657 2.996,658 3.258,659 3.434,660 3.611,661 3.664,662 3.526,663 3.367,664 3.367,665 3.434,666 3.434,667 5.156,668 0.605,669 242.36,670 2.996,671 4.489,672 5.293,673 6.133,674 6.95,675 7.794,676 8.616,677 9.463,678 10.287,679 11.136,680 11.1,684 2,690 2,695 5,696 2,700 5,702 12,711 2,718 36,719 12,720 1,721 19,723 37,724 14,725 10,726 1,727 5,729 2,730 2,734 1,739 3,741 10,742 4,754 1,757 18,758 4,759 4,760 4,764 4,769 1,776 1,781 2,802 2,806 1,810 18,811 2,816 3,836 9.667,837 6.483,838 4.056,839 2.103,840 2.154,841 1.361,842 0.976,843 4.029,844 8.125,845 3.258,846 3.829,847 4.317,848 4.798,849 5.198,850 5.035,851 4.813,852 4.996,853 5.34,854 5.719,855 0.833,856 24,857 6.6,859 2.654,860 7.657,861 12.72,863 10.005,865 2.157,866 38.833,867 0.002,870 164.795,871 77.165,872 99.365,877 77.165,878 164.795,879 99.365,880 8.825,881 7.604,882 113.176,883 33.571,884 9.128,885 4.227,886 164.795,888 164.795,889 176.53,893 164.795,897 21.085,898 121.875,899 33.571,901 164.795,902 99.365,903 77.165,906 164.795,907 20.959,908 56.206,910 99.365,911 164.795,912 99.365,913 77.165,915 0.57,916 0.323,917 0.172,918 0.08,919 11,920 5,921 0.108,922 4,924 1,925 3.098,926 117.822,928 12,929 69.059,933 12.685,934 5.718,935 3.363,937 99.365,938 10.41,939 8.151,943 3.989,945 65.794,946 341.326,947 25,956 35.592,957 40.9,958 0.267,959 0.636,960 0.768,961 0.841,962 0.878,963 0.878,964 4.443,965 0.456,966 5.252,967 2.136,968 3.932,969 4.511,971 5.984,972 3.87,973 5.633,974 -0.305,975 6.765,976 1.098,977 3.434,978 4.227,980 6.742,981 3.319,982 6.916,983 -0.347,984 8.38,985 -0.719,986 5.442,987 6.661,989 9.811,990 5.319,991 8.236,992 -0.674,993 10.056,994 -0.898,995 5.74,996 7.153,998 11.415,999 5.568,1000 9.585,1001 -0.909,1002 11.772,1003 -1.486,1004 7.232,1005 9.082,1007 14.001,1008 7.051,1009 10.956,1010 -1,1011 13.517,1012 -1.965,1013 7.928,1014 9.967,1016 15.975,1017 7.701,1018 12.345,1019 -1.456,1020 15.284,1021 -2.347,1022 9.192,1023 11.653,1025 18.384,1026 8.948,1027 3.011,1028 -1.532,1029 17.068,1030 -3.729,1031 10.09,1032 12.756,1034 20.524,1035 9.802,1036 2.519,1037 9.765,1038 18.865,1039 -4.493,1040 11.253,1041 14.312,1043 22.861,1044 10.941,1045 2.133,1046 6.965,1047 20.674,1048 4.069,1049 12.252,1050 15.54,1052 25.075,1053 11.896,1054 1.879,1055 5.938,1056 22.491,1057 3.444,1058 13.373,1059 17.025,1061 27.381,1062 12.987,1063 1.575,1064 5.225,1065 24.316,1066 2.791,1067 14.422,1068 18.326,1070 29.629,1071 13.993,1072 1.211,1073 3.301,1074 26.148,1075 2.481,1076 15.526,1077 19.772,1079 31.92,1080 15.063,1081 1,1082 2.696,1083 27.984,1084 2.11,1085 16.599,1086 21.115,1088 34.184,1089 16.094,1090 2903,1091 4610,1092 12.425,1093 23.353,1094 27.752,1095 27.699,1096 28.247,1097 27.635,1098 27.567,1099 36.507,1101 74.248,1102 26.698,1103 5.25,1104 5.194,1105 6.219,1106 5.043,1107 5.011,1108 7.069,1110 16.599,1111 4.903,1112 8.621,1113 1.461,1114 1.458,1115 1.487,1116 1.454,1117 1.451,1118 1.921,1120 3.908,1121 1.405,1122 3.963,1123 4.008,1124 3.902,1125 3.882,1126 5.283,1127 3.876,1128 3.871,1129 3.913,1130 3.813,1131 3.753,1132 4.978,1133 3.766,1134 3.466,1135 3.54,1136 3.312,1137 3.313,1138 4.751,1139 3.304,1140 3.189,1141 3.293,1142 3.008,1143 2.95,1144 4.458,1145 2.953,1146 3.101,1147 3.214,1148 2.961,1149 2.871,1150 3.981,1151 2.875,1152 2.894,1153 2.995,1154 2.691,1155 2.735,1156 3.856,1157 2.715,1158 2.854,1159 2.925,1160 2.687,1161 2.645,1162 3.674,1163 2.654,1164 2.56,1165 2.69,1166 2.282,1167 2.299,1168 3.588,1169 2.279,1170 0.231,1171 0.168,1172 0.338,1173 0.209,1174 0.158,1175 4.38,1176 0.214,1177 3.194,1179 6.417,1180 0.514,1181 3.974,1182 0.153,1183 3.011,1184 4.069,1186 9.765,1187 2.903,1188 1.936,1189 1.903,1190 2.077,1191 2.045,1192 1.324,1193 2.052,1194 1.831,1195 1.79,1196 1.947,1197 1.974,1198 1.072,1199 1.971,1200 1.468,1201 1.399,1202 1.718,1203 1.663,1204 0.845,1205 1.687,1206 1.167,1207 1.067,1208 1.488,1209 1.458,1210 0.553,1211 1.484,1212 1.042,1213 0.959,1214 1.324,1215 1.374,1216 0.301,1217 1.364,1218 0.886,1219 0.821,1220 1.219,1221 1.163,1222 0.218,1223 1.203,1224 0.869,1225 0.759,1226 1.181,1227 1.062,1228 0.056,1229 1.107,1230 0.564,1231 0.449,1232 0.961,1233 0.884,1235 0.909,1236 3.664,1238 4.934,1240 6.402,1242 7.964,1244 9.572,1246 1.923,1250 11.416,1252 2.944,1262 21.773,1263 49.756,1264 118.369,1265 142.998,1266 156.608,1267 163.362,1268 163.362,1269 23.628,1270 5.971,1271 77.82,1272 77.82,1273 12,1274 11.7,1275 3.7,1276 2.807,1277 31.197,1278 56,1279 48,1280 0.277,1281 139.889,1282 232.4,1283 333.09,1284 2609,1286 12.958,1287 0.72,1288 0.587,1289 12.958,1290 10.557,1291 8.665,1292 0.456,1293 0.321,1294 6.04,1295 8.459,1296 5.847,1297 4.915,1298 8.665,1299 6.09,1300 7.63,1301 0.305,1302 0.175,1303 7.63,1304 4.37,1305 5.885,1306 0.196,1307 0.1,1308 5.885,1309 2.998,1310 4.963,1311 0.138,1312 0.057,1313 4.963,1314 2.063,1315 3.235,1316 0.085,1317 0.032,1318 3.235,1319 1.222,1320 0.436,1321 53.382,1322 0.284,1323 18.394,1324 0.749,1325 88,1326 215.915,1327 94.383,1328 220.91,1329 306.07,1330 206,1331 99,1332 231.324,1333 104.495,1334 238.293,1335 340.38,1336 224,1337 6.086}
{0 CHEMBL175752,1 1.804,2 7.882,3 1.85,4 3.421,5 68.263,6 8.954,7 0.667,8 3.461,9 3.584,10 3.161,11 2.971,12 4.721,13 2.981,14 3.887,15 4.033,16 3.51,17 3.296,18 5.166,19 3.282,20 4.053,21 4.217,22 3.577,23 3.366,24 5.306,25 3.324,26 4.048,27 4.233,28 3.327,29 3.215,30 5.258,31 3.129,32 3.925,33 4.185,34 2.987,35 3.023,36 4.993,37 2.935,38 3.681,39 3.9,40 3.105,41 2.977,42 4.765,43 2.911,44 3.619,45 3.803,46 3.232,47 2.915,48 5.002,49 2.866,50 3.57,51 3.839,52 2.622,53 2.688,54 4.645,55 2.553,56 0.096,57 0.427,58 4.377,59 2.046,60 12.045,61 2.416,62 0.225,63 0.598,64 8.27,65 3.671,66 19.82,67 4.339,68 0.338,69 0.626,70 11.977,71 4.158,72 25.956,73 5.073,74 0.399,75 0.556,76 16.868,77 4.642,78 37.425,79 5.479,80 0.351,81 0.505,82 13.636,83 3.482,84 37.416,85 4.673,86 0.186,87 0.427,88 9.483,89 3.201,90 16.698,91 4.186,92 0.227,93 0.417,94 9.272,95 2.252,96 23.939,97 3.018,98 0.193,99 0.351,100 10.999,101 2.662,102 20.819,103 3.723,104 10,105 24,106 0.352,107 0.703,108 0.798,109 0.882,110 0.895,111 0.895,112 2.907,113 0.881,114 -3.49,115 -3.46,116 -3.31,119 39.3,125 1,139 4,140 1,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 1,172 3,173 3,178 6,181 2,182 1,184 1,185 1,189 4,193 3,195 1,196 1,197 1,200 2,201 1,205 1,207 3,209 1,210 1,212 1,218 1,221 2,226 1,231 1,234 6,239 4,243 4,246 2,251 2,256 2,265 3,270 3,273 291,274 11.276,275 11.276,276 11.276,277 11.276,278 11.276,279 9.643,280 12.357,281 6.73,282 11.681,283 8.855,284 8.855,285 8.855,286 8.855,287 8.855,288 6.541,289 14.604,290 3.186,291 9.582,292 3.004,293 1.2,294 0.714,295 0.286,296 0.214,297 0.214,298 3.56,299 1,301 1,302 1,303 278,304 2.121,307 113.17,314 1.093,315 16.926,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 37.333,327 134,328 4.241,329 3.252,330 6.079,331 3.806,332 2.878,333 3.884,334 1.151,335 8.765,336 2.66,337 4.146,338 3.046,339 5.998,340 3.699,341 2.762,342 3.767,344 8.481,345 2.568,346 3.463,347 2.394,348 4.96,349 3.026,350 2.125,351 2.777,353 5.819,354 1.912,355 2.941,356 2.088,357 4.266,358 2.539,359 1.603,360 2.107,362 4.031,363 1.504,364 2.858,365 1.689,366 4.115,367 2.362,368 1.414,369 2.001,371 3.638,372 1.319,373 2.817,374 1.514,375 3.604,376 2.331,377 1.414,378 1.944,380 2.982,381 1.231,382 1.998,383 1.054,384 3.228,385 1.657,386 0.764,387 0.915,389 1.743,390 0.673,391 1.362,392 0.516,393 2.558,394 0.996,395 0.108,396 0.13,398 0.244,399 0.09,400 0.951,401 0.194,402 2.359,403 0.51,404 -0.325,405 -0.39,407 -0.706,408 -0.232,409 0.795,410 -0.314,411 2,412 0.392,413 -0.515,414 -0.621,415 -1.242,416 -0.466,417 0.617,418 -0.504,419 2,420 0.158,421 -0.792,422 -1.037,423 -1.891,424 -0.718,425 0.151,426 -0.878,427 1.609,428 -0.198,429 -1.123,430 -1.444,431 -2.956,432 -1.028,433 -0.096,434 -1.144,435 1.373,436 -0.461,437 -1.414,438 -1.841,439 -3.459,440 -1.141,441 -0.172,442 -1.255,443 1.067,444 -0.622,445 -1.414,446 -1.896,448 -4.036,449 -1.328,450 -0.244,451 -1.383,452 1,453 -0.674,454 -1.551,455 -2.039,457 -4.143,458 -1.426,459 8.148,460 0.479,461 0.421,462 0.025,463 24.75,464 1.456,465 13.5,466 0.794,467 11.25,468 0.662,469 9.615,470 0.566,471 18.252,472 0.652,473 15.211,474 0.895,475 5.07,476 0.298,477 3.094,478 0.182,479 0.186,481 0.307,485 0.997,486 1.221,487 0.6,488 0.829,489 1.201,490 0.765,491 0.92,492 0.901,493 0.653,494 0.876,495 0.629,496 0.858,497 1.059,498 1.091,499 0.994,500 1.035,501 0.874,502 1.043,503 1.324,504 1.072,505 1.497,506 1.445,507 1.145,508 1.357,509 1.187,510 0.624,511 0.909,512 0.648,513 1.229,514 0.8,515 0.933,516 1.051,517 0.648,518 0.708,519 0.713,520 0.712,521 0.781,522 1.371,523 1.205,524 1.301,525 1.041,526 1.194,527 0.948,528 1.016,529 1.242,530 1.028,531 1.171,532 1.054,533 3.5,534 0.012,535 2.222,536 0.938,537 0.716,538 0.403,539 0.245,540 0.149,541 0.147,542 0.03,543 2358,544 8352,545 1.994,546 39.3,548 6,550 1,551 4,555 1.566,556 1.855,557 2.977,558 2.178,560 1,562 1,564 50.498,565 1.804,566 3.607,567 4.093,568 4.522,569 4.593,570 4.593,571 2.419,572 3.852,573 4.064,574 3.079,575 418.743,576 6.851,577 3850.16,578 1,579 1,581 1,582 134.606,583 1.447,584 4.01,585 0.194,586 0.012,587 0.093,588 0.041,589 0.045,590 0.031,591 0.016,592 0.011,593 0.018,594 0.007,595 0.469,596 0.5,597 1,598 0.682,599 70.978,600 -0.203,601 -0.015,602 -0.017,603 0.063,604 -0.345,605 0.074,606 0.058,607 0.192,608 0.06,609 0.058,610 0.141,611 0.032,612 0.046,613 -0.071,614 -0.067,615 -0.078,616 0.021,617 -0.138,618 -0.07,619 -0.182,620 -0.302,621 -0.424,622 -0.072,623 -0.392,624 -0.173,625 0.289,626 -0.028,627 0.269,628 -0.201,629 0.176,630 -0.052,631 -0.145,632 0.244,633 0.295,634 0.086,635 0.317,636 0.099,637 -0.299,638 -0.058,639 -0.362,640 0.078,641 -0.3,642 -0.153,643 -0.132,644 -0.111,645 -0.048,646 -0.162,647 -0.02,648 1.549,649 1.969,650 0.706,651 10.007,652 1.021,653 1.136,654 2.257,655 5.094,656 0.692,657 2.944,658 3.219,659 3.401,660 3.526,661 3.664,662 3.526,663 3.401,664 3.434,665 3.497,666 3.367,667 4.747,668 0.669,669 250.71,670 2.944,671 4.443,672 5.252,673 6.089,674 6.913,675 7.751,676 8.579,677 9.417,678 10.247,679 11.085,680 14.3,684 2,690 2,695 5,696 2,700 5,702 12,711 2,716 1,717 1,718 28,719 12,720 1,721 18,723 29,724 11,725 10,726 2,727 4,729 2,730 2,731 1,741 10,742 1,754 1,757 11,758 5,759 4,760 6,761 1,764 4,769 1,770 1,776 1,781 2,802 2,807 1,810 17,811 2,816 1,818 1,828 1,829 3.6,834 1,836 9.167,837 4.793,838 3.806,839 1.377,840 2.231,841 1.378,842 0.978,843 3.661,844 8.131,845 3.219,846 3.807,847 4.304,848 4.751,849 5.215,850 5.066,851 5.011,852 5.34,853 5.752,854 6.019,855 1,856 23,857 6.178,859 2.517,860 7.938,861 11.407,863 8.733,865 2.438,866 41.444,867 0.001,870 82.398,871 67.701,872 99.365,873 39.149,874 11,877 67.701,878 132.546,879 99.365,881 4.592,882 103.699,883 45.342,884 31.977,885 4.227,886 70.627,887 39.149,888 82.398,889 167.067,890 11,891 39.149,893 82.398,894 11,897 15.539,898 117.957,899 72.72,901 82.398,902 110.365,903 106.85,906 82.398,907 20.749,908 46.952,910 149.514,911 82.398,912 110.365,913 106.85,915 0.577,916 0.329,917 0.16,918 0.082,919 11,920 5,921 0.103,922 3,924 1,925 2.967,926 110.174,928 12,929 69.487,933 11.951,934 5.207,935 2.987,937 110.365,938 8.841,939 7.598,943 2.226,945 65.794,946 299.613,947 24,956 28.593,957 31.807,958 0.375,959 0.75,960 0.851,961 0.941,962 0.955,963 0.955,964 4.407,965 0.108,966 5.22,967 1.743,968 3.892,969 4.489,970 1.294,971 5.953,972 3.733,973 5.608,974 -0.325,975 6.742,976 0.244,977 3.434,978 4.227,980 6.72,981 3.154,982 6.897,983 -0.515,984 8.362,985 -0.706,986 5.416,987 6.654,988 1.506,989 9.74,990 5.115,991 8.222,992 -0.792,993 10.038,994 -1.242,995 5.74,996 7.153,998 11.301,999 5.306,1000 9.574,1001 -1.123,1002 11.75,1003 -1.891,1004 7.209,1005 9.073,1006 1.731,1007 13.82,1008 6.762,1009 10.946,1010 -1.414,1011 13.485,1012 -2.956,1013 7.902,1014 9.943,1016 15.705,1017 7.327,1018 12.333,1019 -1.414,1020 15.237,1021 -3.459,1022 9.144,1023 11.619,1024 1.968,1025 18.028,1026 8.545,1027 2.878,1028 -1.551,1029 17.001,1030 -4.036,1031 10.016,1032 12.687,1034 20.057,1035 9.3,1036 2.762,1037 8.765,1038 18.773,1039 -4.143,1040 11.153,1041 14.229,1042 2.214,1043 22.293,1044 10.399,1045 2.125,1046 8.481,1047 20.551,1048 3.884,1049 12.112,1050 15.409,1052 24.389,1053 11.252,1054 1.603,1055 5.819,1056 22.334,1057 3.767,1058 13.199,1059 16.873,1060 2.468,1061 26.585,1062 12.289,1063 1.414,1064 4.031,1065 24.12,1066 2.777,1067 14.2,1068 18.119,1070 28.713,1071 13.193,1072 1.414,1073 3.638,1074 25.91,1075 2.107,1076 15.265,1077 19.537,1078 2.727,1079 30.89,1080 14.197,1081 0.764,1082 2.982,1083 27.701,1084 2.001,1085 16.287,1086 20.822,1088 33.033,1089 15.13,1090 2401,1091 4608,1092 11.731,1093 19.381,1094 26.32,1095 26.873,1096 27.168,1097 26.253,1098 26.137,1099 35.05,1100 2.302,1101 71.405,1102 23.914,1103 5.071,1104 5.252,1105 5.769,1106 4.875,1107 4.878,1108 6.884,1109 2.302,1110 15.016,1111 4.66,1112 8.335,1113 1.462,1114 1.493,1115 1.509,1116 1.459,1117 1.452,1118 1.947,1119 0.128,1120 3.967,1121 1.329,1122 3.937,1123 3.965,1124 4.012,1125 3.868,1126 5.305,1127 3.861,1128 3.825,1129 3.873,1130 3.817,1131 3.641,1132 4.987,1133 3.676,1134 3.24,1135 3.299,1136 3.301,1137 3.027,1138 4.935,1139 3.034,1140 3.053,1141 3.171,1142 3.127,1143 2.798,1144 4.585,1145 2.792,1146 2.883,1147 2.989,1148 2.9,1149 2.755,1150 4.345,1151 2.764,1152 2.875,1153 2.922,1154 2.731,1155 2.575,1156 4.217,1157 2.606,1158 2.535,1159 2.599,1160 2.469,1161 2.307,1162 3.741,1163 2.293,1164 2.25,1165 2.398,1166 2.097,1167 1.791,1168 3.596,1169 1.816,1170 0.236,1171 0.181,1172 0.338,1173 0.211,1174 0.16,1175 4.241,1176 0.216,1177 3.252,1178 0.064,1179 6.079,1180 0.487,1181 3.806,1182 0.148,1183 2.878,1184 3.884,1185 1.151,1186 8.765,1187 2.66,1188 1.901,1189 1.88,1190 1.998,1191 2.004,1192 1.134,1193 2,1194 1.727,1195 1.683,1196 1.798,1197 1.93,1198 0.748,1199 1.907,1200 1.178,1201 1.124,1202 1.439,1203 1.45,1204 0.575,1205 1.441,1206 0.959,1207 0.854,1208 1.26,1209 1.34,1210 0.171,1211 1.334,1212 0.868,1213 0.824,1214 1.13,1215 1.151,1217 1.158,1218 0.8,1219 0.691,1220 1.103,1221 1.017,1223 1.061,1224 0.489,1225 0.416,1226 0.785,1227 0.733,1229 0.766,1230 0.152,1232 0.526,1233 0.574,1235 0.569,1236 3.611,1238 4.89,1240 6.368,1242 7.933,1244 9.537,1247 5.993,1250 11.014,1252 0.303,1254 5.469,1262 18.735,1263 50.498,1264 100.996,1265 114.606,1266 126.606,1267 128.606,1268 128.606,1269 21.731,1270 5.9,1271 87.05,1272 87.05,1273 12,1274 11.653,1275 3.7,1276 2.807,1277 28.546,1278 49,1279 41,1280 0.295,1281 123.441,1282 204.5,1283 292.957,1284 2319,1285 3.6,1286 12.251,1287 0.721,1288 0.57,1289 12.751,1290 9.685,1291 8.165,1292 0.454,1293 0.294,1294 4.854,1295 7.542,1296 4.727,1297 3.932,1298 8.453,1299 5.286,1300 7.255,1301 0.302,1302 0.157,1303 7.626,1304 3.765,1305 5.807,1306 0.2,1307 0.087,1308 6.187,1309 2.511,1310 4.407,1311 0.134,1312 0.045,1313 4.676,1314 1.471,1315 3.235,1316 0.085,1317 0.023,1318 3.414,1319 0.879,1320 0.458,1321 54.512,1322 0.292,1323 17.275,1324 0.816,1325 84,1326 281.854,1327 109.113,1328 304.051,1329 401.47,1330 282,1331 95,1332 271.289,1333 116.192,1334 284.619,1335 410.88,1336 266,1337 5.452}
{0 CHEMBL176332,1 1.553,2 11.077,3 3.286,4 10.796,5 102.676,6 6.894,7 0.429,8 4.043,9 4.171,10 3.533,11 3.491,12 5.133,13 3.479,14 4.591,15 4.779,16 3.868,17 3.881,18 5.594,19 3.841,20 4.769,21 4.967,22 3.976,23 4.04,24 5.736,25 3.977,26 4.89,27 5.098,28 3.979,29 4.098,30 5.871,31 4.009,32 5.037,33 5.281,34 3.71,35 4.074,36 5.925,37 3.941,38 4.946,39 5.223,40 3.475,41 3.967,42 5.702,43 3.783,44 4.833,45 5.144,46 3.399,47 3.828,48 5.537,49 3.646,50 4.639,51 4.923,52 3.459,53 3.693,54 5.432,55 3.562,56 0.047,57 0.744,58 12.108,59 4.625,60 12.878,61 6.452,62 0.344,63 1.133,64 22.541,65 8.067,66 33.082,67 11.016,68 0.398,69 1.361,70 26.68,71 9.183,72 30.891,73 13.473,74 0.322,75 1.48,76 30.16,77 10.564,78 39.067,79 15.413,80 0.655,81 1.501,82 37.017,83 10.516,84 62.958,85 15.892,86 0.47,87 1.323,88 33.621,89 10.781,90 47.265,91 16.219,92 0.391,93 1.158,94 30.289,95 9.543,96 41.109,97 14.796,98 0.25,99 1,100 24.499,101 7.903,102 30.549,103 12.081,104 35,105 39,106 0.263,107 0.557,108 0.719,109 0.785,110 0.794,111 0.821,112 3.304,113 0.94,114 -3.71,115 -3.68,116 -3.5,119 36.5,121 5,122 1,124 3,139 2,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 9,169 1,170 5,172 3,173 3,175 1,178 11,180 1,181 2,182 7,187 1,189 7,191 1,192 1,193 9,195 1,196 1,197 1,198 5,200 2,201 6,204 5,205 1,207 5,212 3,215 5,218 3,221 5,226 2,229 5,231 2,234 5,239 2,241 2,243 2,246 9,251 3,256 3,260 4,265 1,270 1,273 916,274 17.696,275 17.696,276 17.696,277 17.696,278 17.696,279 16.167,280 25.204,281 10.237,282 18.384,283 13.619,284 13.619,285 13.619,286 13.619,287 13.619,288 11.06,289 28.66,290 4.549,291 14.447,292 4.148,293 2.413,294 1.453,295 1.063,296 1.01,297 0.851,298 3.983,300 1,301 1,302 1,303 607,304 3.24,306 60.262,307 162.524,310 112.463,314 1.467,315 23.905,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 57,327 288,328 4.489,329 3.402,330 6.78,331 4.165,332 3.187,333 4.138,334 0.86,335 11.107,336 3.119,337 4.419,338 3.376,339 6.523,340 4.008,341 3.061,342 4.104,343 0.86,344 10.257,345 2.897,346 3.618,347 2.593,348 5.321,349 3.311,350 2.359,351 2.912,352 0.86,353 6.787,354 2.256,355 3.561,356 2.555,357 5.279,358 3.223,359 2.261,360 2.874,362 6.663,363 2.155,364 3.355,365 2.462,366 5.19,367 2.972,368 2.061,369 2.604,371 6.118,372 1.868,373 3.299,374 2.212,375 5.063,376 2.924,377 1.98,378 2.549,380 5.791,381 1.867,382 2.941,383 1.973,384 4.766,385 2.731,386 1.768,387 1.988,389 5.01,390 1.695,391 2.288,392 1.886,393 3.827,394 2.141,395 1.219,396 1.277,398 2.731,399 1.126,400 2.089,401 1.186,402 3.59,403 1.923,404 1.026,405 1.073,407 2.181,408 0.906,409 1.908,410 0.99,411 3.395,412 1.78,413 0.806,414 0.864,415 1.986,416 0.783,417 1.576,418 0.969,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.419,426 0.916,427 2.776,428 1.188,429 0.337,430 0.357,431 0.453,432 0.283,433 1.192,434 0.307,435 2.659,436 0.979,437 0.023,438 0.026,439 0.052,440 0.022,441 0.985,442 -0.004,443 2.487,444 0.639,445 -0.293,446 -0.353,448 -0.689,449 -0.271,450 0.798,451 -0.192,452 2.297,453 0.454,454 -0.467,455 -0.558,457 -1.057,458 -0.426,459 12.1,460 0.465,461 0.606,462 0.023,463 31.5,464 1.212,465 14.5,466 0.558,467 17,468 0.654,469 23.602,470 0.908,471 29.9,472 0.575,473 22.419,474 0.862,475 6.045,476 0.233,477 6.521,478 0.251,479 0.19,481 0.372,485 0.98,486 1.383,487 0.883,488 1.239,489 1.099,490 1.061,491 1.148,492 0.872,493 0.854,494 0.89,495 0.731,496 0.849,497 0.752,498 1.186,499 0.914,500 1.117,501 0.756,502 1.048,503 0.744,504 1.331,505 1.009,506 1.353,507 0.73,508 1.247,509 1.525,510 0.963,511 1.391,512 1.05,513 1.546,514 1.174,515 0.998,516 0.952,517 1.133,518 1.061,519 1.003,520 1.121,521 0.709,522 0.76,523 0.826,524 0.811,525 0.779,526 0.836,527 0.725,528 0.968,529 0.749,530 0.925,531 0.67,532 0.859,533 5.5,534 0.221,535 2.889,536 2.597,537 1.774,538 0.806,539 0.243,540 0.309,541 0.197,542 0.293,543 7905,544 20955,545 2.014,546 50,547 9,548 11,551 4,552 2,555 1.688,556 1.857,557 3.396,558 1.735,559 1,560 1,564 80.746,565 1.553,566 3.288,567 4.248,568 4.637,569 4.69,570 4.849,571 2.811,572 4.239,573 4.678,574 3.566,575 1158.79,576 8.085,577 14843.9,579 1,581 1,582 296.423,583 1.502,584 4.615,585 0.196,586 0.009,587 0.074,588 0.062,589 0.044,590 0.029,591 0.011,592 0.014,593 0.008,594 0.012,595 0.46,596 0.17,597 1,598 0.998,599 128.3,600 -0.078,601 -0.078,602 0.045,603 -0.053,604 -0.102,605 0.017,606 -0.021,607 0.231,608 0.125,609 0.197,610 0.166,611 0.176,612 0.135,613 -0.061,614 0.033,615 -0.032,616 0.058,617 -0.013,618 0.101,619 -0.241,620 -0.068,621 -0.276,622 0.129,623 -0.213,624 -0.325,625 0.024,626 -0.383,627 -0.098,628 -0.39,629 -0.228,630 -0.128,631 -0.046,632 -0.171,633 -0.075,634 -0.177,635 -0.125,636 -0.002,637 0.097,638 0.128,639 0.147,640 -0.025,641 0.161,642 0.042,643 -0.07,644 0.206,645 0.067,646 0.097,647 0.151,648 1.403,649 2.076,650 0.577,651 21.325,652 1.002,653 1.138,654 2.48,655 6.15,656 0.63,657 3.367,658 3.689,659 3.989,660 4.277,661 4.394,662 4.419,663 4.394,664 4.407,665 4.407,666 4.5,667 6.553,668 0.597,669 358.49,670 3.367,671 4.905,672 5.765,673 6.655,674 7.53,675 8.424,676 9.302,677 10.197,678 11.077,679 11.972,680 7.7,684 2,690 2,695 2,696 2,700 8,702 12,711 2,716 3,718 52,719 12,720 1,721 28,723 54,724 19,725 10,726 4,727 2,729 3,730 4,736 2,737 1,739 5,741 10,742 9,743 1,753 1,754 1,757 26,758 7,759 4,760 7,764 4,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,806 3,810 26,811 2,816 5,818 3,820 1,829 5.8,834 3,836 14,837 10.067,838 5.972,839 2.992,840 2.245,841 1.311,842 0.952,843 5.965,844 9.463,845 3.555,846 4.143,847 4.714,848 5.259,849 5.687,850 5.81,851 5.817,852 5.855,853 5.873,854 6.122,855 1,856 42,857 9.574,859 3.94,860 7.679,861 18.439,863 14.88,865 2.179,866 56.667,869 1,870 258.964,871 93.36,872 99.365,874 33,877 93.36,878 291.964,879 99.365,880 32.649,881 12.673,882 84.747,883 33.571,884 57.858,885 4.227,886 258.964,888 258.964,889 192.725,890 33,893 258.964,894 33,897 17.328,898 141.825,899 33.571,901 258.964,902 132.365,903 93.36,906 258.964,907 41.758,908 51.602,910 132.365,911 258.964,912 132.365,913 93.36,915 0.572,916 0.359,917 0.21,918 0.105,919 18,920 9,921 0.13,922 7,923 1,924 1.133,925 3.73,926 212.784,927 0.133,928 15,929 114.211,933 18.895,934 8.208,935 3.953,937 132.365,938 4.004,939 8.459,943 6.02,945 65.794,946 484.689,947 34,956 52.109,957 59.189,958 0.272,959 0.577,960 0.745,961 0.813,962 0.823,963 0.851,964 4.804,965 1.219,966 5.759,967 5.01,968 4.369,969 4.828,970 1.693,971 6.6,972 4.268,973 6.005,974 1.026,975 7.338,976 2.731,977 4.007,978 4.745,980 7.576,981 3.872,982 7.324,983 0.806,984 9.015,985 2.181,986 5.989,987 7.024,988 1.454,989 10.685,990 5.815,991 8.68,992 0.396,993 10.752,994 1.986,995 6.447,996 7.731,998 12.494,999 6.239,1000 10.068,1001 0.337,1002 12.526,1003 0.603,1004 7.901,1005 9.524,1006 1.232,1007 15.13,1008 7.668,1009 11.478,1010 0.023,1011 14.328,1012 0.453,1013 8.74,1014 10.59,1016 17.286,1017 8.472,1018 12.906,1019 -0.293,1020 16.149,1021 0.052,1022 9.995,1023 12.187,1024 1.028,1025 19.762,1026 9.705,1027 3.187,1028 -0.467,1029 17.987,1030 -0.689,1031 11.007,1032 13.428,1034 22.058,1035 10.684,1036 3.061,1037 11.107,1038 19.837,1039 -1.057,1040 12.188,1041 14.936,1042 0.845,1043 24.477,1044 11.843,1045 2.359,1046 10.257,1047 21.698,1048 4.138,1049 13.275,1050 16.264,1052 26.828,1053 12.9,1054 2.261,1055 6.787,1056 23.566,1057 4.104,1058 14.431,1059 17.727,1060 0.684,1061 29.227,1062 14.032,1063 2.061,1064 6.663,1065 25.442,1066 2.912,1067 15.551,1068 19.098,1070 31.601,1071 15.124,1072 1.98,1073 6.118,1074 27.323,1075 2.874,1076 16.698,1077 20.539,1078 0.546,1079 33.994,1080 16.247,1081 1.768,1082 5.791,1083 29.208,1084 2.604,1085 17.833,1086 21.932,1088 36.377,1089 17.355,1090 7794,1091 12786,1092 18.205,1093 32.762,1094 40.781,1095 42.23,1096 43.899,1097 40.902,1098 40.969,1099 50.432,1100 5.16,1101 119.477,1102 38.638,1103 5.43,1104 5.402,1105 6.333,1106 5.236,1107 5.187,1108 7.138,1109 1.72,1110 18.027,1111 5.119,1112 14.943,1113 1.456,1114 1.508,1115 1.568,1116 1.461,1117 1.463,1118 1.801,1119 0.184,1120 4.267,1121 1.38,1122 4.03,1123 4.072,1124 3.974,1125 3.927,1126 5.283,1127 3.932,1128 3.935,1129 3.951,1130 3.896,1131 3.838,1132 4.978,1133 3.848,1134 3.574,1135 3.638,1136 3.454,1137 3.404,1138 4.971,1139 3.407,1140 3.388,1141 3.462,1142 3.254,1143 3.177,1144 4.58,1145 3.191,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.477,1151 3.026,1152 3.226,1153 3.299,1154 3.026,1155 2.974,1156 4.463,1157 2.974,1158 3.17,1159 3.254,1160 2.968,1161 2.894,1162 4.237,1163 2.892,1164 3.083,1165 3.203,1166 2.917,1167 2.794,1168 4,1169 2.809,1170 0.16,1171 0.122,1172 0.242,1173 0.149,1174 0.114,1175 4.489,1176 0.148,1177 3.402,1178 0.031,1179 6.78,1180 0.397,1181 4.165,1182 0.111,1183 3.187,1184 4.138,1185 0.86,1186 11.107,1187 3.119,1188 1.918,1189 1.901,1190 2.046,1191 2.032,1192 1.389,1193 2.032,1194 1.798,1195 1.761,1196 1.903,1197 1.968,1198 1.165,1199 1.94,1200 1.657,1201 1.602,1202 1.828,1203 1.83,1204 1.042,1205 1.846,1206 1.406,1207 1.347,1208 1.67,1209 1.618,1210 0.863,1211 1.642,1212 1.227,1213 1.163,1214 1.59,1215 1.558,1216 0.584,1217 1.565,1218 1.184,1219 1.106,1220 1.569,1221 1.508,1222 0.577,1223 1.528,1224 1.151,1225 1.063,1226 1.518,1227 1.431,1228 0.564,1229 1.463,1230 1.03,1231 0.937,1232 1.318,1233 1.369,1234 0.417,1235 1.36,1236 4.043,1238 5.361,1239 2.398,1240 6.882,1241 4.727,1242 8.505,1243 6.843,1244 10.183,1246 4.868,1250 11.771,1252 4.931,1254 16.218,1256 0.396,1262 31.025,1263 80.746,1264 170.965,1265 220.874,1266 241.139,1267 243.894,1268 252.158,1269 44.204,1270 7.217,1271 105.51,1272 105.51,1273 17,1274 12.5,1275 3.7,1276 2.807,1277 44.559,1278 106,1279 88,1280 0.21,1281 192.446,1282 332.91,1283 461.329,1284 13111,1286 18.681,1287 0.719,1288 0.598,1289 18.681,1290 15.541,1291 12.566,1292 0.449,1293 0.313,1294 8.602,1295 11.91,1296 8.319,1297 6.952,1298 12.566,1299 8.776,1300 10.906,1301 0.28,1302 0.166,1303 10.906,1304 6.489,1305 9.324,1306 0.176,1307 0.093,1308 9.324,1309 4.952,1310 8.341,1311 0.117,1312 0.053,1313 8.341,1314 3.767,1315 6.099,1316 0.076,1317 0.031,1318 6.099,1319 2.462,1320 0.335,1321 80.138,1322 0.234,1323 25.197,1324 0.564,1325 134,1326 399.121,1327 149.019,1328 375.746,1329 515.46,1330 354,1331 159,1332 378.96,1333 174.185,1334 385.832,1335 561.51,1336 358,1337 6.658}
{0 CHEMBL176848,1 1.598,2 15.065,3 2.9,4 8.409,5 119.339,6 7.732,7 0.529,8 4.095,9 4.214,10 3.684,11 3.628,12 5.271,13 3.624,14 4.604,15 4.763,16 4.041,17 4.013,18 5.769,19 3.984,20 4.849,21 5.041,22 4.094,23 4.118,24 5.975,25 4.075,26 4.912,27 5.125,28 3.954,29 4.058,30 6.145,31 3.986,32 4.824,33 5.056,34 3.773,35 3.968,36 5.898,37 3.871,38 4.726,39 4.954,40 3.659,41 3.88,42 5.76,43 3.776,44 4.664,45 4.911,46 3.58,47 3.758,48 5.714,49 3.645,50 4.483,51 4.731,52 3.502,53 3.63,54 5.471,55 3.53,56 0.074,57 0.815,58 10.28,59 4.561,60 15.11,61 5.786,62 0.335,63 1.272,64 19.181,65 8.01,66 30.298,67 10.353,68 0.311,69 1.492,70 26.682,71 9.952,72 42.832,73 13.139,74 0.629,75 1.505,76 30.413,77 10.192,78 106.352,79 13.463,80 0.511,81 1.353,82 28.581,83 9.733,84 75.99,85 13.183,86 0.38,87 1.244,88 25.377,89 8.922,90 64.258,91 12.114,92 0.507,93 1.126,94 24.895,95 8.524,96 68.548,97 12.009,98 0.348,99 0.955,100 20.434,101 7.279,102 37.609,103 10.353,104 17,105 47,106 0.263,107 0.618,108 0.763,109 0.836,110 0.836,111 0.836,112 3.471,113 0.888,114 -4.28,115 -4.22,116 -3.98,119 42.6,121 3,125 2,139 8,140 4,141 1,142 1,144 1,147 1,153 2,157 2,158 2,159 2,166 13,169 3,170 10,172 3,173 3,175 1,178 13,180 1,182 12,187 1,189 9,191 1,192 1,193 11,195 1,196 1,197 1,198 2,200 2,201 6,204 2,205 1,206 1,207 9,212 3,215 8,218 3,221 5,226 3,229 7,231 3,233 2,234 4,239 2,241 4,243 2,245 2,246 4,248 1,249 1,251 2,254 2,256 2,260 7,268 5,273 1646,274 20.982,275 20.982,276 20.982,277 20.982,278 20.982,279 18.544,280 25.335,281 12.449,282 21.363,283 16.756,284 16.756,285 16.756,286 16.756,287 16.756,288 13.045,289 29.678,290 5.919,291 17.34,292 4.156,293 1.995,294 1.111,295 0.667,296 0.667,297 0.667,298 4.168,301 1,302 1,303 1017,304 3.317,306 79.634,307 332.08,310 153.097,314 2.445,315 36.631,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 67.5,327 467,328 4.585,329 3.952,330 6.964,331 4.291,332 3.301,333 4.146,334 1.349,335 11.689,336 3.262,337 4.258,338 3.256,339 6.094,340 3.861,341 2.894,342 3.902,343 0.86,344 8.876,345 2.805,346 4.011,347 3.123,348 5.685,349 3.575,350 2.615,351 3.615,352 0.8,353 7.319,354 2.509,355 3.549,356 2.884,357 5.491,358 3.213,359 2.255,360 2.86,361 0.68,362 7.258,363 2.162,364 3.538,365 2.549,366 5.474,367 3.173,368 2.23,369 2.812,371 6.426,372 2.093,373 3.441,374 2.434,375 5.144,376 3.066,377 2.026,378 2.65,380 6.415,381 2.087,382 3.353,383 2.186,384 4.907,385 2.941,386 2.005,387 2.638,389 5.616,390 1.868,391 2.852,392 1.968,393 4.128,394 2.633,395 1.645,396 1.959,398 3.663,399 1.622,400 2.823,401 1.693,402 3.827,403 2.364,404 1.421,405 1.95,407 3.437,408 1.346,409 2.647,410 1.539,411 3.635,412 2.337,413 1.362,414 1.652,415 2.979,416 1.314,417 2.5,418 1.35,419 3.618,420 2,421 1,422 1.5,423 2.275,424 1,425 2.48,426 1.261,427 3.414,428 1.942,429 0.914,430 1.387,431 2.21,432 0.934,433 2.128,434 1.025,435 3.34,436 1.866,437 0.908,438 1.021,439 2.03,440 0.858,441 1.713,442 1,443 3.054,444 1.409,445 0.446,446 0.533,448 1.065,449 0.426,450 1.534,451 0.664,452 2.803,453 1.207,454 0.231,455 0.279,457 0.538,458 0.221,459 14.5,460 0.468,461 0.733,462 0.024,463 42.75,464 1.379,465 22.5,466 0.726,467 20.25,468 0.653,469 23.036,470 0.743,471 32.9,472 0.609,473 32.423,474 1.046,475 8.475,476 0.273,477 6.55,478 0.211,479 0.101,481 0.338,485 0.811,486 1.228,487 0.768,488 1.013,489 0.71,490 0.892,491 0.691,492 0.963,493 0.822,494 1.011,495 0.545,496 0.959,497 1.069,498 1.133,499 0.936,500 1.096,501 0.865,502 1.009,503 1.28,504 0.968,505 1.17,506 1.049,507 1.228,508 1.086,509 1.187,510 0.924,511 1.121,512 0.986,513 1.31,514 1.039,515 1.127,516 1.068,517 1.163,518 1.123,519 1.131,520 1.151,521 0.787,522 0.996,523 0.977,524 1.05,525 0.774,526 1.051,527 0.615,528 0.904,529 0.826,530 0.995,531 0.423,532 0.961,533 5.5,534 0.148,535 3.556,536 2.799,537 1.538,538 0.667,539 0.434,540 0.358,541 0.219,542 0.231,543 16301,544 46378,545 2.084,546 42.6,547 2,548 12,550 1,551 4,553 4,555 1.726,556 1.958,557 3.806,558 1.6,560 1,564 86.316,565 1.598,566 3.76,567 4.644,568 5.088,569 5.088,570 5.088,571 3.191,572 4.438,573 4.931,574 4.052,575 1884.19,576 8.547,577 29821.7,579 1,582 310.764,583 1.383,584 4.888,585 0.162,586 0.006,587 0.076,588 0.058,589 0.039,590 0.02,591 0.015,592 0.014,593 0.009,594 0.009,595 0.408,597 1,598 0.541,599 167.408,600 -0.091,601 -0.045,602 0.027,603 0.018,604 -0.096,605 0.045,606 0.16,607 0.134,608 0.049,609 0.006,610 0.085,611 -0.002,612 -0.089,613 -0.129,614 0.006,615 -0.091,616 -0.013,617 -0.032,618 -0.091,619 0.002,620 -0.167,621 -0.081,622 0.022,623 -0.128,624 -0.134,625 0.01,626 -0.114,627 0.002,628 -0.154,629 -0.044,630 -0.155,631 -0.127,632 -0.174,633 -0.128,634 -0.169,635 -0.151,636 0.175,637 -0.099,638 0.046,639 -0.053,640 0.066,641 -0.028,642 0.227,643 0.008,644 0.179,645 0.012,646 0.135,647 0.074,648 1.885,649 5.345,650 0.677,651 35.777,652 1.008,653 1.127,654 3.048,655 9.292,656 0.671,657 3.555,658 3.871,659 4.143,660 4.382,661 4.564,662 4.5,663 4.533,664 4.595,665 4.543,666 4.533,667 8.935,668 0.648,669 417.51,670 3.555,671 5.094,672 5.943,673 6.815,674 7.68,675 8.557,676 9.43,677 10.311,678 11.189,679 12.072,680 9.3,684 2,687 1,690 2,695 9,696 2,700 7,702 18,711 2,716 1,718 54,719 20,720 2,721 34,723 57,724 23,725 16,726 4,727 8,728 2,729 4,730 5,739 3,741 18,742 5,744 2,748 2,751 2,754 1,757 23,758 8,759 4,760 8,764 5,767 1,769 0.75,770 3,776 1,780 1,781 3,784 1,802 3,810 31,811 2,816 5,818 1,821 1,829 5.6,832 2,834 1,836 15.833,837 9.517,838 6.833,839 3.181,840 3.341,841 1.429,842 0.999,843 6.261,844 11.121,845 3.829,846 4.401,847 4.951,848 5.466,849 5.955,850 5.967,851 6.193,852 6.453,853 6.645,854 6.753,855 0.9,856 48,857 11.468,859 4.929,860 7.887,861 21.57,863 17.632,865 2.387,866 74,869 1,870 223.651,871 130.781,872 102.49,874 61.29,877 130.781,878 284.941,879 102.49,881 17.426,882 141.604,883 105.041,884 38.033,885 4.227,886 211.88,888 223.651,889 233.271,890 61.29,893 176.567,894 108.374,897 28.373,898 171.327,899 33.571,901 223.651,902 163.779,903 130.781,906 223.651,907 45.924,908 87.982,910 160.655,911 223.651,912 163.779,913 130.781,915 0.58,916 0.344,917 0.186,918 0.1,919 22,920 10,921 0.14,922 8,923 1,924 1.095,925 4.436,926 262.716,927 0.095,928 21,929 139.58,933 20.978,934 9.252,935 4.738,937 163.779,938 16.274,939 7.947,943 4.131,945 65.794,946 518.212,947 45,951 24.69,954 -0.437,956 54.443,957 60.857,958 0.278,959 0.653,960 0.807,961 0.884,962 0.884,963 0.884,964 5.059,965 1.645,966 5.922,967 5.616,968 4.554,969 5.088,970 2.105,971 6.725,972 4.495,973 6.255,974 1.421,975 7.478,976 3.663,977 4.111,978 4.832,979 0.325,980 7.621,981 4.032,982 7.554,983 1.362,984 9.138,985 3.437,986 6.138,987 7.23,988 2.211,989 10.745,990 6.029,991 8.888,992 1,993 10.86,994 2.979,995 6.538,996 7.779,997 0.931,998 12.528,999 6.419,1000 10.256,1001 0.914,1002 12.623,1003 2.275,1004 8.028,1005 9.656,1006 2.486,1007 15.187,1008 7.884,1009 11.649,1010 0.908,1011 14.417,1012 2.21,1013 8.836,1014 10.593,1015 1.621,1016 17.361,1017 8.688,1018 13.061,1019 0.446,1020 16.233,1021 2.03,1022 10.115,1023 12.239,1024 2.878,1025 19.875,1026 9.95,1027 3.301,1028 0.231,1029 18.069,1030 1.065,1031 11.121,1032 13.382,1033 2.316,1034 22.216,1035 10.951,1036 2.894,1037 11.689,1038 19.92,1039 0.538,1040 12.323,1041 14.912,1042 3.344,1043 24.686,1044 12.14,1045 2.615,1046 8.876,1047 21.784,1048 4.146,1049 13.42,1050 16.167,1051 2.996,1052 27.096,1053 13.233,1054 2.255,1055 7.319,1056 23.659,1057 3.902,1058 14.598,1059 17.637,1060 3.853,1061 29.554,1062 14.401,1063 2.23,1064 7.258,1065 25.544,1066 3.615,1067 15.739,1068 18.955,1069 3.659,1070 31.991,1071 15.535,1072 2.026,1073 6.426,1074 27.437,1075 2.86,1076 16.912,1077 20.393,1078 4.39,1079 34.447,1080 16.7,1081 2.005,1082 6.415,1083 29.338,1084 2.812,1085 18.074,1086 21.747,1087 4.307,1088 36.896,1089 17.855,1090 15280,1091 25920,1092 22.77,1093 36.245,1094 51.116,1095 53.053,1096 52.216,1097 50.547,1098 50.506,1099 65.808,1100 7.378,1101 143.594,1102 49.012,1103 5.545,1104 5.952,1105 6.728,1106 5.36,1107 5.301,1108 7.146,1109 2.549,1110 18.826,1111 5.262,1112 15.304,1113 1.503,1114 1.56,1115 1.536,1116 1.487,1117 1.485,1118 1.936,1119 0.217,1120 4.223,1121 1.442,1122 4.03,1123 4.053,1124 3.992,1125 3.936,1126 7.447,1127 3.944,1128 3.966,1129 3.997,1130 3.915,1131 3.884,1132 7.408,1133 3.885,1134 3.804,1135 3.849,1136 3.758,1137 3.647,1138 5.291,1139 3.669,1140 3.659,1141 3.72,1142 3.519,1143 3.521,1144 4.979,1145 3.51,1146 3.41,1147 3.454,1148 3.315,1149 3.208,1150 4.843,1151 3.23,1152 3.216,1153 3.291,1154 3.105,1155 3.018,1156 4.687,1157 3.033,1158 3.065,1159 3.151,1160 2.973,1161 2.843,1162 4.457,1163 2.858,1164 3.014,1165 3.078,1166 2.915,1167 2.831,1168 4.324,1169 2.832,1170 0.135,1171 0.116,1172 0.205,1173 0.126,1174 0.097,1175 4.585,1176 0.122,1177 3.952,1178 0.04,1179 6.964,1180 0.344,1181 4.291,1182 0.096,1183 3.301,1184 4.146,1185 1.349,1186 11.689,1187 3.262,1188 1.937,1189 1.911,1190 2.047,1191 2.047,1192 1.282,1193 2.045,1194 1.887,1195 1.868,1196 1.986,1197 1.959,1198 1.201,1199 1.968,1200 1.739,1201 1.695,1202 1.939,1203 1.934,1204 1.085,1205 1.926,1206 1.685,1207 1.626,1208 1.814,1209 1.871,1210 0.874,1211 1.869,1212 1.354,1213 1.315,1214 1.551,1215 1.622,1216 0.78,1217 1.595,1218 1.156,1219 1.094,1220 1.382,1221 1.425,1222 0.394,1223 1.419,1224 1.007,1225 0.994,1226 1.249,1227 1.312,1228 0.32,1229 1.303,1230 0.996,1231 0.929,1232 1.225,1233 1.235,1234 0.218,1235 1.245,1236 4.234,1238 5.549,1239 2.398,1240 7.057,1241 4.949,1242 8.653,1243 7.195,1244 10.296,1250 11.402,1252 2.905,1254 5.777,1257 1.312,1262 34.993,1263 86.316,1264 203.015,1265 250.764,1266 274.764,1267 274.764,1268 274.764,1269 63.015,1270 7.78,1271 126.12,1272 126.12,1273 23,1274 12.607,1275 4.392,1276 3.585,1277 50.111,1278 172,1279 146,1280 0.139,1281 215.58,1282 376.65,1283 517.774,1284 31730,1286 21.794,1287 0.703,1288 0.547,1289 21.794,1290 16.953,1291 15.025,1292 0.442,1293 0.296,1294 9.928,1295 14.462,1296 9.751,1297 8.063,1298 15.025,1299 10.065,1300 13.41,1301 0.285,1302 0.156,1303 13.41,1304 7.323,1305 11.438,1306 0.184,1307 0.083,1308 11.438,1309 5.158,1310 9.386,1311 0.119,1312 0.044,1313 9.386,1314 3.498,1315 7.436,1316 0.078,1317 0.025,1318 7.436,1319 2.372,1320 0.232,1321 94.189,1322 0.21,1323 30.243,1324 0.347,1325 162,1326 494.766,1327 178.77,1328 478.386,1329 650.23,1330 446,1331 190,1332 477.22,1333 206.466,1334 482.213,1335 705.98,1336 454,1337 5.438}
{0 CHEMBL176882,1 1.405,2 7.824,3 2.332,4 5.436,5 71.312,6 6.919,7 0.667,8 3.573,9 3.725,10 3.063,11 3.103,12 4.711,13 3.068,14 4.039,15 4.237,16 3.376,17 3.453,18 5.134,19 3.381,20 4.244,21 4.47,22 3.363,23 3.554,24 5.211,25 3.46,26 4.304,27 4.544,28 3.221,29 3.518,30 5.301,31 3.377,32 4.38,33 4.686,34 2.947,35 3.411,36 5.265,37 3.237,38 4.169,39 4.495,40 2.95,41 3.232,42 4.974,43 3.076,44 3.852,45 4.098,46 2.867,47 3.063,48 4.93,49 2.961,50 3.823,51 4.126,52 2.488,53 2.858,54 4.751,55 2.688,56 0.048,57 0.509,58 7.322,59 2.662,60 9.252,61 3.953,62 0.149,63 0.755,64 12.179,65 4.845,66 18.612,67 6.938,68 0.122,69 0.872,70 15.367,71 5.178,72 15.972,73 7.954,74 0.156,75 0.878,76 16.505,77 5.768,78 26.222,79 8.744,80 0.242,81 0.84,82 18.982,83 5.24,84 37.214,85 8.6,86 0.114,87 0.657,88 15.271,89 5.141,90 20.805,91 8.045,92 0.1,93 0.563,94 10.569,95 3.098,96 19.148,97 4.998,98 0.1,99 0.475,100 10.676,101 3.208,102 18.682,103 5.183,104 10,105 24,106 0.264,107 0.613,108 0.714,109 0.791,110 0.83,111 0.83,112 2.907,113 0.932,114 -4.01,115 -3.96,116 -3.75,119 39.4,120 1,121 2,139 5,140 2,143 1,144 1,147 1,157 2,158 2,159 2,166 9,169 1,170 3,172 3,173 3,175 1,178 11,180 1,182 2,187 1,189 9,191 1,193 3,195 1,196 1,197 1,198 4,200 2,201 6,204 4,205 1,207 2,212 2,215 4,218 2,221 4,226 3,229 3,231 3,234 4,239 3,241 2,243 3,246 2,251 3,254 1,256 3,265 2,270 2,273 309,274 11.276,275 11.276,276 11.276,277 11.276,278 11.276,279 9.643,280 11.059,281 6.795,282 11.463,283 8.878,284 8.878,285 8.878,286 8.878,287 8.878,288 6.55,289 11.774,290 3.24,291 9.183,292 3.64,293 1.784,294 1.246,295 0.834,296 0.629,297 0.629,298 3.559,301 1,302 1,303 276,304 2.121,307 113.17,314 1.052,315 11.58,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 36,327 133,328 4.382,329 3.201,330 6.418,331 3.977,332 3.013,333 4.07,335 9.77,336 2.908,337 3.893,338 2.705,339 5.339,340 3.507,341 2.51,342 3.443,344 6.964,345 2.502,346 3.468,347 2.283,348 5.01,349 3.044,350 2.119,351 2.788,353 5.92,354 1.953,355 3.232,356 2.088,357 4.879,358 2.815,359 1.879,360 2.481,362 5.225,363 1.756,364 2.926,365 1.62,366 3.707,367 2.517,368 1.52,369 2.094,371 3.207,372 1.514,373 2.5,374 1.234,375 3.431,376 2,377 1,378 1.5,380 2.253,381 1,382 2.103,383 1,384 3.247,385 1.929,386 0.95,387 1.061,389 2.136,390 0.929,391 1.317,392 0.313,393 2.733,394 1.067,395 0.092,396 0.107,398 0.225,399 0.089,400 1,401 -0.151,402 2.653,403 0.575,404 -0.347,405 -0.445,407 -0.898,408 -0.32,409 0.691,410 -0.357,411 2.082,412 0.329,413 -0.629,414 -0.727,415 -1.425,416 -0.589,417 0.5,418 -0.534,419 1.555,420 0.21,421 -0.743,422 -0.895,423 -1.597,424 -0.724,425 0.414,426 -1,427 1.468,429 -1,430 -1.5,431 -2.347,432 -1,433 -0.121,434 -1.109,435 1.462,436 -0.36,437 -1.346,438 -1.646,439 -3.548,440 -1.303,441 -0.232,442 -1.383,443 1.122,444 -0.569,445 -1.532,446 -2.036,448 -4.288,449 -1.448,450 -0.243,451 -1.419,452 1,453 -0.632,454 -1.552,455 -2.038,457 -4.493,458 -1.464,459 8.1,460 0.476,461 0.421,462 0.025,463 23.5,464 1.382,465 13,466 0.765,467 10.5,468 0.618,469 10.946,470 0.644,471 18.3,472 0.555,473 14.04,474 0.826,475 4.649,476 0.273,477 3.515,478 0.207,479 0.16,481 0.309,485 1.175,486 1.184,487 0.923,488 0.971,489 1.344,490 0.926,491 0.347,492 0.967,493 0.792,494 1.053,495 0.37,496 0.989,497 1.14,498 1.149,499 1.071,500 1.088,501 0.971,502 1.074,503 0.852,504 1.263,505 1.207,506 1.37,507 0.839,508 1.338,509 1.546,510 0.767,511 1.224,512 0.856,513 1.595,514 0.977,515 0.52,516 0.789,517 0.554,518 0.694,519 0.488,520 0.639,521 1.41,522 1.219,523 1.167,524 1.105,525 1.326,526 1.106,527 1.072,528 1.031,529 1.019,530 1.006,531 0.986,532 1.006,533 3.5,534 0.012,535 1.778,536 1.188,537 0.716,538 0.458,539 0.204,540 0.156,541 0.122,542 0.03,543 2326,544 5868,545 1.994,546 48.5,547 4,548 5,551 4,552 3,555 1.567,556 1.855,557 2.944,558 2.063,560 1,561 1,562 1,564 46.359,565 1.405,566 3.26,567 3.798,568 4.211,569 4.415,570 4.415,571 2.38,572 3.499,573 4.062,574 3.06,575 416.127,576 6.855,577 3797.8,578 1,579 1,581 1,582 166.465,583 1.447,584 4.01,585 0.194,586 0.012,587 0.074,588 0.052,589 0.04,590 0.035,591 0.014,592 0.012,593 0.015,594 0.01,595 0.458,596 0.5,597 1,598 0.682,599 70.714,600 -0.181,601 0.053,602 -0.001,603 0.095,604 -0.276,605 0.073,606 0.487,607 0.14,608 0.136,609 0.007,610 0.366,611 0.025,612 -0.167,613 -0.083,614 -0.123,615 -0.085,616 -0.165,617 -0.097,618 0.056,619 -0.25,620 -0.264,621 -0.375,622 0.083,623 -0.361,624 -0.351,625 0.162,626 -0.22,627 0.036,628 -0.373,629 -0.058,630 0.206,631 0.014,632 0.428,633 0.285,634 0.28,635 0.367,636 -0.23,637 -0.175,638 -0.189,639 -0.166,640 -0.175,641 -0.172,642 -0.075,643 -0.149,644 -0.03,645 -0.078,646 -0.002,647 -0.053,648 1.427,649 1.855,650 0.706,651 10.048,652 0.991,653 1.136,654 2.78,655 7.731,656 0.654,657 2.944,658 3.219,659 3.401,660 3.584,661 3.664,662 3.584,663 3.367,664 3.434,665 3.434,666 3.367,667 4.67,668 0.614,669 228.33,670 2.944,671 4.443,672 5.252,673 6.098,674 6.921,675 7.772,676 8.6,677 9.454,678 10.284,679 11.14,680 12.1,684 2,690 2,695 5,696 2,700 5,702 12,711 2,718 33,719 12,720 1,721 18,723 34,724 13,725 10,726 1,727 5,729 2,730 2,734 1,739 2,741 10,742 3,754 1,757 16,758 4,759 4,760 4,764 4,769 1,776 1,781 2,802 2,806 1,810 17,811 2,816 2,836 9.167,837 5.983,838 3.806,839 1.853,840 2.203,841 1.374,842 0.982,843 3.474,844 8.092,845 3.219,846 3.807,847 4.304,848 4.79,849 5.215,850 5.128,851 4.996,852 5.34,853 5.719,854 6.019,855 1,856 23,857 6.222,859 2.512,860 7.696,861 11.903,863 9.338,865 2.196,866 37.333,867 0.002,870 141.253,871 74.63,872 99.365,877 74.63,878 141.253,879 99.365,880 8.825,881 5.069,882 113.176,883 33.571,884 9.128,885 4.227,886 141.253,888 141.253,889 173.996,893 141.253,897 18.55,898 121.875,899 33.571,901 141.253,902 99.365,903 74.63,906 141.253,907 18.424,908 56.206,910 99.365,911 141.253,912 99.365,913 74.63,915 0.574,916 0.325,917 0.171,918 0.082,919 11,920 5,921 0.088,922 3,924 1,925 2.958,926 110.786,928 12,929 65.487,933 11.711,934 5.043,935 2.872,937 99.365,938 10.277,939 8.124,943 3.867,945 65.794,946 315.249,947 24,956 32.709,957 37.484,958 0.278,959 0.646,960 0.753,961 0.835,962 0.875,963 0.875,964 4.407,965 0.092,966 5.22,967 2.136,968 3.892,969 4.489,971 5.964,972 3.827,973 5.608,974 -0.347,975 6.742,976 0.225,977 3.434,978 4.227,980 6.742,981 3.319,982 6.897,983 -0.629,984 8.364,985 -0.898,986 5.416,987 6.654,989 9.806,990 5.289,991 8.222,992 -0.743,993 10.045,994 -1.425,995 5.74,996 7.153,998 11.415,999 5.568,1000 9.575,1001 -1,1002 11.765,1003 -1.597,1004 7.217,1005 9.08,1007 14.003,1008 7.033,1009 10.949,1010 -1.346,1011 13.513,1012 -2.347,1013 7.928,1014 9.967,1016 15.977,1017 7.701,1018 12.34,1019 -1.532,1020 15.281,1021 -3.548,1022 9.185,1023 11.652,1025 18.388,1026 8.94,1027 3.013,1028 -1.552,1029 17.066,1030 -4.288,1031 10.091,1032 12.756,1034 20.527,1035 9.804,1036 2.51,1037 9.77,1038 18.865,1039 -4.493,1040 11.253,1041 14.313,1043 22.866,1044 10.941,1045 2.119,1046 6.964,1047 20.674,1048 4.07,1049 12.256,1050 15.542,1052 25.08,1053 11.902,1054 1.879,1055 5.92,1056 22.492,1057 3.443,1058 13.377,1059 17.027,1061 27.386,1062 12.993,1063 1.52,1064 5.225,1065 24.318,1066 2.788,1067 14.429,1068 18.328,1070 29.635,1071 14.003,1072 1,1073 3.207,1074 26.149,1075 2.481,1076 15.534,1077 19.774,1079 31.927,1080 15.074,1081 0.95,1082 2.253,1083 27.986,1084 2.094,1085 16.609,1086 21.117,1088 34.192,1089 16.109,1090 2369,1091 3840,1092 11.731,1093 21.591,1094 26.339,1095 26.366,1096 26.864,1097 26.244,1098 26.167,1099 35.088,1101 71.399,1102 25.301,1103 5.21,1104 5.201,1105 6.22,1106 5.047,1107 5.013,1108 7.07,1110 16.604,1111 4.908,1112 8.169,1113 1.463,1114 1.465,1115 1.492,1116 1.458,1117 1.454,1118 1.949,1120 3.967,1121 1.406,1122 3.969,1123 4.012,1124 3.911,1125 3.888,1126 5.283,1127 3.883,1128 3.848,1129 3.891,1130 3.791,1131 3.727,1132 4.978,1133 3.741,1134 3.347,1135 3.425,1136 3.204,1137 3.183,1138 4.75,1139 3.177,1140 3.185,1141 3.29,1142 2.997,1143 2.95,1144 4.455,1145 2.949,1146 3.053,1147 3.175,1148 2.901,1149 2.771,1150 3.895,1151 2.791,1152 2.854,1153 2.925,1154 2.687,1155 2.735,1156 3.854,1157 2.715,1158 2.732,1159 2.828,1160 2.522,1161 2.516,1162 3.674,1163 2.511,1164 2.482,1165 2.634,1166 2.185,1167 2.116,1168 3.465,1169 2.108,1170 0.243,1171 0.178,1172 0.357,1173 0.221,1174 0.167,1175 4.382,1176 0.226,1177 3.201,1179 6.418,1180 0.543,1181 3.977,1182 0.162,1183 3.013,1184 4.07,1186 9.77,1187 2.908,1188 1.94,1189 1.908,1190 2.071,1191 2.048,1192 1.278,1193 2.052,1194 1.806,1195 1.765,1196 1.917,1197 1.953,1198 1.012,1199 1.948,1200 1.34,1201 1.269,1202 1.619,1203 1.552,1204 0.754,1205 1.574,1206 1.167,1207 1.067,1208 1.472,1209 1.456,1210 0.417,1211 1.484,1212 0.963,1213 0.863,1214 1.262,1215 1.346,1216 0.218,1217 1.337,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.163,1223 1.107,1224 0.739,1225 0.639,1226 1.086,1227 0.991,1229 1.031,1230 0.433,1231 0.288,1232 0.86,1233 0.834,1235 0.851,1236 3.611,1238 4.89,1240 6.368,1242 7.939,1244 9.555,1246 1.911,1250 11.389,1252 1.765,1262 20.246,1263 46.359,1264 107.594,1265 125.346,1266 138.955,1267 145.71,1268 145.71,1269 21.014,1270 5.889,1271 77.82,1272 77.82,1273 12,1274 11.699,1275 3.7,1276 2.807,1277 28.502,1278 47,1279 42,1280 0.302,1281 130.297,1282 215.1,1283 309.684,1284 2251,1286 12.251,1287 0.721,1288 0.579,1289 12.251,1290 9.85,1291 8.165,1292 0.454,1293 0.311,1294 5.54,1295 7.959,1296 5.357,1297 4.499,1298 8.165,1299 5.59,1300 7.276,1301 0.303,1302 0.167,1303 7.276,1304 4.017,1305 5.643,1306 0.195,1307 0.096,1308 5.643,1309 2.77,1310 4.749,1311 0.136,1312 0.053,1313 4.749,1314 1.864,1315 3.093,1316 0.081,1317 0.028,1318 3.093,1319 1.077,1320 0.465,1321 50.382,1322 0.292,1323 17.239,1324 0.846,1325 84,1326 211.915,1327 90.383,1328 216.748,1329 300.31,1330 202,1331 95,1332 227.324,1333 100.495,1334 234.133,1335 334.66,1336 220,1337 4.893}
{0 CHEMBL177125,1 1.411,2 8.526,3 2.501,4 6.256,5 78.57,6 7.586,7 0.81,8 3.604,9 3.739,10 3.188,11 3.199,12 4.789,13 3.177,14 4.048,15 4.208,16 3.526,17 3.58,18 5.209,19 3.527,20 4.271,21 4.462,22 3.523,23 3.694,24 5.315,25 3.611,26 4.342,27 4.585,28 3.31,29 3.603,30 5.356,31 3.473,32 4.221,33 4.489,34 3.145,35 3.432,36 5.152,37 3.298,38 4.031,39 4.293,40 3.031,41 3.244,42 5.016,43 3.136,44 3.892,45 4.158,46 2.953,47 3.101,48 4.882,49 3.001,50 3.67,51 3.907,52 2.785,53 2.891,54 4.805,55 2.811,56 0.043,57 0.512,58 6.406,59 2.59,60 9.3,61 3.465,62 0.136,63 0.783,64 10.552,65 4.686,66 15.895,67 6.324,68 0.081,69 0.931,70 13.964,71 5.666,72 14.929,73 7.84,74 0.178,75 0.946,76 16.59,77 6.219,78 30.009,79 8.836,80 0.114,81 0.808,82 15.373,83 5.644,84 23.231,85 8.188,86 0.116,87 0.687,88 12.575,89 4.244,90 20.511,91 6.175,92 0.077,93 0.59,94 11.031,95 3.877,96 14.764,97 5.685,98 0.069,99 0.498,100 8.309,101 2.667,102 15.132,103 3.876,104 5,105 29,106 0.259,107 0.584,108 0.713,109 0.833,110 0.86,111 0.882,112 3.01,113 0.867,114 -4.37,115 -4.31,116 -4.06,119 45.5,121 1,139 7,140 4,142 1,144 1,147 1,157 2,158 2,159 2,166 13,169 1,170 2,172 3,173 3,175 1,178 17,180 1,182 2,187 1,189 16,191 1,193 2,195 1,196 1,197 1,198 2,200 2,201 10,204 2,205 1,207 4,212 3,215 6,218 3,221 4,226 3,229 3,231 3,234 4,239 4,241 1,243 4,246 4,251 4,256 4,260 2,265 3,270 3,273 393,274 12.878,275 12.878,276 12.878,277 12.878,278 12.878,279 10.783,280 11.769,281 7.638,282 13.059,283 10.382,284 10.382,285 10.382,286 10.382,287 10.382,288 7.344,289 16.208,290 3.662,291 10.679,292 3.634,293 1.868,294 1.164,295 0.508,296 0.364,297 0.242,298 3.693,300 1,301 1,302 1,303 352,304 2,307 146.849,311 76.751,314 1.235,315 11.87,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 40,327 162,328 4.414,329 3.137,330 6.196,331 3.951,332 2.959,333 4.338,334 0.68,335 9.278,336 2.943,337 4.232,338 2.889,339 6.075,340 3.798,341 2.83,342 3.886,344 8.794,345 2.738,346 3.653,347 2.482,348 5.25,349 3.259,350 2.289,351 3.066,353 6.654,354 2.222,355 3.39,356 2.153,357 4.916,358 2.954,359 2.01,360 2.711,362 5.639,363 1.884,364 3.118,365 1.618,366 4.415,367 2.618,368 1.618,369 2.427,371 4.367,372 1.618,373 2.903,374 1.573,375 4.127,376 2.424,377 1.452,378 2.092,380 3.657,381 1.417,382 2.814,383 1.401,384 3.616,385 2.33,386 1.37,387 1.944,389 2.997,390 1.306,391 2.192,392 0.774,393 3.199,394 1.711,395 0.714,396 1.046,398 1.65,399 0.712,400 1.629,401 0.559,402 3.016,403 1.309,404 0.356,405 0.439,407 0.864,408 0.338,409 1.113,410 -0.087,411 2.389,412 0.705,413 -0.271,414 -0.356,415 -0.664,416 -0.264,417 0.882,418 -0.314,419 2.358,420 0.393,421 -0.514,422 -0.621,423 -1.242,424 -0.466,425 0.798,426 -0.618,427 2.163,428 0.382,429 -0.618,430 -0.927,431 -1.593,432 -0.618,433 0.556,434 -0.676,435 2,436 0.179,437 -0.803,438 -1.076,439 -2.088,440 -0.786,441 0.363,442 -1.022,443 1.817,444 -0.107,445 -1.099,446 -1.554,448 -2.945,449 -1.082,450 0.065,451 -1.164,452 1.379,453 -0.298,454 -1.251,455 -1.739,457 -3.472,458 -1.195,459 9.1,460 0.479,461 0.452,462 0.024,463 29,464 1.526,465 17,466 0.895,467 12,468 0.632,469 10.56,470 0.556,471 19.1,472 0.579,473 18.016,474 0.948,475 5.791,476 0.305,477 3.43,478 0.181,479 0.088,481 0.33,485 1.16,486 1.004,487 0.821,488 0.804,489 1.325,490 0.777,491 0.388,492 0.813,493 0.796,494 0.95,495 0.431,496 0.927,497 0.95,498 1.14,499 1.068,500 1.15,501 0.84,502 1.128,503 0.911,504 0.922,505 1.151,506 1.107,507 0.952,508 1.149,509 0.872,510 0.97,511 0.965,512 1.001,513 0.894,514 0.996,515 1.205,516 0.981,517 1.02,518 0.933,519 1.167,520 0.95,521 0.889,522 1.062,523 0.797,524 0.913,525 0.774,526 0.857,527 1.406,528 1.341,529 1.113,530 1.138,531 1.353,532 1.099,533 4,534 0.025,535 2,536 1,537 1.129,538 0.264,539 0.363,540 0.22,541 0.094,542 0.094,543 3413,544 8847,545 2.113,546 42.4,547 2,548 7,550 1,551 4,555 1.6,556 2,557 3.093,558 1.935,560 1,562 1,564 46.559,565 1.411,566 3.176,567 3.881,568 4.537,569 4.681,570 4.802,571 2.505,572 4.248,573 4.223,574 3.178,575 543.4,576 7.175,577 5294.82,578 1,579 1,581 1,582 166.465,583 1.324,584 4.189,585 0.19,586 0.008,587 0.069,588 0.036,589 0.054,590 0.015,591 0.023,592 0.015,593 0.008,594 0.013,595 0.431,596 0.33,597 1,598 0.565,599 82.375,600 -0.203,601 0.122,602 0.004,603 0.143,604 -0.312,605 0.107,606 0.418,607 0.243,608 0.055,609 0.032,610 0.274,611 0.006,612 -0.131,613 -0.134,614 -0.18,615 -0.172,616 -0.107,617 -0.18,618 0.002,619 0.032,620 -0.186,621 -0.13,622 -0.014,623 -0.171,624 -0.02,625 -0.068,626 0.037,627 -0.002,628 -0.004,629 0.019,630 -0.141,631 -0.023,632 -0.014,633 0.025,634 -0.134,635 0.022,636 0.07,637 -0.143,638 0.221,639 0.069,640 0.163,641 0.146,642 -0.158,643 -0.325,644 -0.126,645 -0.227,646 -0.096,647 -0.183,648 1.459,649 1.851,650 0.842,651 12.299,652 0.995,653 1.123,654 3.143,655 9.877,656 0.692,657 3.091,658 3.401,659 3.638,660 3.871,661 4.111,662 4.043,663 4.111,664 4.234,665 4.304,666 4.19,667 4.981,668 0.658,669 250.33,670 3.091,671 4.615,672 5.451,673 6.315,674 7.166,675 8.032,676 8.888,677 9.753,678 10.612,679 11.478,680 12.1,684 2,690 2,694 2,695 8,696 2,700 4,702 17,711 2,718 33,719 17,720 2,721 21,723 35,724 15,725 14,726 3,727 7,729 3,730 4,739 1,741 14,742 1,754 1,757 14,758 4,759 4,760 4,764 4,769 0.667,776 1,781 3,785 1,802 2,810 19,811 2,816 1,836 9.5,837 5.733,838 4.139,839 1.786,840 3.399,841 1.513,842 1.043,843 2.957,844 10.021,845 3.418,846 4.078,847 4.677,848 5.272,849 5.872,850 6.045,851 6.407,852 6.867,853 7.28,854 7.35,855 0.833,856 28,857 6.946,859 2.915,860 7.684,861 13.276,863 10.823,865 2.184,866 41.5,867 0.001,870 117.711,871 93.66,872 99.365,877 93.66,878 117.711,879 99.365,881 2.535,882 132.128,883 45.342,884 20.564,885 4.227,886 105.94,888 117.711,889 193.025,893 117.711,897 13.481,898 145.973,899 33.571,901 117.711,902 99.365,903 93.66,906 117.711,907 18.279,908 75.381,910 99.365,911 117.711,912 99.365,913 93.66,915 0.581,916 0.334,917 0.178,918 0.1,919 15,920 6,921 0.057,922 2,923 1,924 1.125,925 3.208,926 138.788,927 0.125,928 16,929 80.711,933 11.785,934 4.767,935 2.453,936 2.447,937 99.365,938 16.317,939 7.962,943 2.726,945 65.794,946 310.736,947 29.5,956 32.825,957 37.069,958 0.28,959 0.63,960 0.769,961 0.899,962 0.928,963 0.952,964 4.618,965 0.714,966 5.425,967 2.997,968 4.078,969 4.762,970 0.655,971 6.192,972 4.027,973 5.842,974 0.356,975 6.956,976 1.65,977 3.611,978 4.559,980 6.969,981 3.533,982 7.149,983 -0.271,984 8.581,985 0.864,986 5.631,987 7.034,988 0.356,989 10.034,990 5.542,991 8.492,992 -0.514,993 10.261,994 -0.664,995 5.943,996 7.628,998 11.605,999 5.833,1000 9.862,1001 -0.618,1002 11.976,1003 -1.242,1004 7.444,1005 9.571,1006 0.18,1007 14.167,1008 7.325,1009 11.252,1010 -0.803,1011 13.714,1012 -1.593,1013 8.137,1014 10.572,1016 16.082,1017 8.003,1018 12.659,1019 -1.099,1020 15.469,1021 -2.088,1022 9.404,1023 12.265,1024 0.087,1025 18.445,1026 9.261,1027 2.959,1028 -1.251,1029 17.236,1030 -2.945,1031 10.288,1032 13.483,1034 20.518,1035 10.134,1036 2.83,1037 9.278,1038 19.013,1039 -3.472,1040 11.447,1041 15.051,1042 0.041,1043 22.796,1044 11.283,1045 2.289,1046 8.794,1047 20.798,1048 4.338,1049 12.426,1050 16.383,1052 24.942,1053 12.252,1054 2.01,1055 6.654,1056 22.588,1057 3.886,1058 13.535,1059 17.89,1060 0.019,1061 27.183,1062 13.352,1063 1.618,1064 5.639,1065 24.383,1066 3.066,1067 14.56,1068 19.281,1070 29.363,1071 14.369,1072 1.452,1073 4.367,1074 26.182,1075 2.711,1076 15.647,1077 20.76,1078 0.009,1079 31.588,1080 15.447,1081 1.37,1082 3.657,1083 27.983,1084 2.427,1085 16.695,1086 22.182,1088 33.785,1089 16.488,1090 3295,1091 5388,1092 14.216,1093 22.83,1094 31.404,1095 31.32,1096 31.907,1097 31.222,1098 31.197,1099 43.896,1100 1.36,1101 87.799,1102 30.355,1103 5.174,1104 5.137,1105 5.883,1106 5.02,1107 4.959,1108 7.338,1109 1.36,1110 15.652,1111 4.943,1112 7.423,1113 1.495,1114 1.491,1115 1.519,1116 1.487,1117 1.486,1118 2.09,1119 0.065,1120 4.181,1121 1.445,1122 4.094,1123 4.117,1124 4.045,1125 4.055,1126 5.291,1127 4.05,1128 3.862,1129 3.915,1130 3.824,1131 3.714,1132 4.979,1133 3.733,1134 3.495,1135 3.543,1136 3.404,1137 3.396,1138 4.895,1139 3.394,1140 3.153,1141 3.245,1142 3.032,1143 2.997,1144 4.459,1145 2.993,1146 3.041,1147 3.125,1148 2.915,1149 2.87,1150 4.303,1151 2.877,1152 2.946,1153 3.043,1154 2.794,1155 2.641,1156 3.867,1157 2.667,1158 2.742,1159 2.843,1160 2.586,1161 2.54,1162 3.745,1163 2.547,1164 2.563,1165 2.649,1166 2.358,1167 2.4,1168 3.591,1169 2.378,1170 0.21,1171 0.149,1172 0.295,1173 0.188,1174 0.141,1175 4.414,1176 0.207,1177 3.137,1178 0.032,1179 6.196,1180 0.442,1181 3.951,1182 0.14,1183 2.959,1184 4.338,1185 0.68,1186 9.278,1187 2.943,1188 2.082,1189 2.063,1190 2.169,1191 2.137,1192 1.322,1193 2.149,1194 1.793,1195 1.75,1196 1.89,1197 1.972,1198 1.028,1199 1.947,1200 1.489,1201 1.445,1202 1.645,1203 1.626,1204 0.654,1205 1.641,1206 1.124,1207 1.064,1208 1.362,1209 1.388,1210 0.393,1211 1.383,1212 1.017,1213 0.947,1214 1.268,1215 1.268,1216 0.29,1217 1.282,1218 0.872,1219 0.754,1220 1.205,1221 1.173,1222 0.013,1223 1.198,1224 0.718,1225 0.631,1226 1.055,1227 1.008,1229 1.036,1230 0.596,1231 0.511,1232 0.942,1233 0.806,1235 0.857,1236 3.761,1238 5.069,1240 6.581,1242 8.184,1244 9.83,1250 11.344,1252 0.705,1262 21.72,1263 46.559,1264 104.814,1265 128.059,1266 149.71,1267 154.465,1268 158.465,1269 20.516,1270 6.623,1271 77.82,1272 77.82,1273 18,1274 12.025,1275 4.17,1276 3.248,1277 27.908,1278 57,1279 52,1280 0.245,1281 136.233,1282 221.16,1283 324.169,1284 6002,1286 13.242,1287 0.697,1288 0.546,1289 13.242,1290 10.375,1291 9.22,1292 0.439,1293 0.289,1294 6.017,1295 9.014,1296 5.87,1297 4.894,1298 9.22,1299 6.068,1300 8.375,1301 0.289,1302 0.155,1303 8.375,1304 4.497,1305 6.894,1306 0.186,1307 0.084,1308 6.894,1309 3.125,1310 5.691,1311 0.121,1312 0.046,1313 5.691,1314 2.139,1315 4.722,1316 0.079,1317 0.025,1318 4.722,1319 1.507,1320 0.379,1321 56.762,1322 0.265,1323 18.999,1324 0.684,1325 100,1326 249.915,1327 106.05,1328 256.89,1329 359.6,1330 240,1331 116,1332 273.972,1333 121.329,1334 284.086,1335 409.58,1336 267,1337 4.213}
{0 CHEMBL177408,1 1.568,2 7.95,3 3.25,4 10.56,5 86.193,6 9.976,7 0.773,8 3.61,9 3.735,10 3.428,11 3.253,12 4.802,13 3.219,14 4.056,15 4.204,16 3.853,17 3.652,18 5.229,19 3.586,20 4.284,21 4.455,22 4.007,23 3.81,24 5.35,25 3.711,26 4.36,27 4.564,28 3.917,29 3.779,30 5.428,31 3.635,32 4.315,33 4.555,34 3.684,35 3.642,36 5.269,37 3.487,38 4.156,39 4.395,40 3.479,41 3.447,42 5.185,43 3.317,44 3.995,45 4.244,46 3.533,47 3.257,48 5.089,49 3.154,50 3.767,51 4.005,52 3.606,53 2.991,54 4.949,55 2.867,56 0.041,57 0.498,58 3.898,59 2.51,60 9.637,61 3.071,62 0.124,63 0.766,64 7.802,65 4.624,66 16.102,67 5.932,68 0.087,69 0.915,70 15.663,71 6.199,72 15.256,73 7.544,74 0.182,75 0.961,76 22.49,77 7.143,78 29.718,79 8.657,80 0.136,81 0.882,82 25.093,83 7.278,84 24.605,85 9.154,86 0.129,87 0.769,88 26.133,89 6.126,90 22.397,91 7.45,92 0.105,93 0.678,94 13.082,95 4.523,96 19.437,97 5.692,98 0.181,99 0.52,100 17.635,101 3.483,102 22.125,103 4.075,104 10,105 31,106 0.288,107 0.631,108 0.762,109 0.86,110 0.882,111 0.893,112 3.059,113 0.951,114 -5.01,115 -4.91,116 -4.61,117 1,119 45.5,121 1,139 6,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 11,169 1,170 2,172 3,173 3,175 1,178 16,180 1,182 2,187 1,189 17,191 1,193 2,195 1,196 1,197 1,198 2,200 2,201 13,204 2,205 1,207 4,212 3,215 7,218 3,221 6,226 4,229 2,231 4,234 4,239 4,243 4,246 4,251 5,256 5,265 2,270 2,273 462,274 13.43,275 13.43,276 13.43,277 13.43,278 13.43,279 11.27,280 13.413,281 7.86,282 13.743,283 10.843,284 10.843,285 10.843,286 10.843,287 10.843,288 7.72,289 16.884,290 3.722,291 11.42,292 3.476,293 1.611,294 0.894,295 0.364,296 0.242,297 0.182,298 3.738,300 1,301 1,302 1,303 342,304 2.121,307 147.614,311 77.32,314 1.065,315 13.283,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 41.75,327 159,328 4.584,329 3.317,330 6.677,331 4.117,332 3.137,333 4.535,334 0.68,335 10.754,336 3.071,337 4.228,338 3.041,339 6.081,340 3.796,341 2.842,342 3.881,344 8.798,345 2.715,346 3.659,347 2.626,348 5.579,349 3.227,350 2.293,351 3.083,353 7.108,354 2.128,355 3.434,356 2.27,357 4.961,358 2.979,359 2.059,360 2.776,362 5.776,363 1.88,364 3.312,365 2.008,366 4.663,367 2.828,368 1.865,369 2.663,371 4.825,372 1.729,373 2.835,374 1.572,375 4.145,376 2.37,377 1.433,378 1.969,380 3.681,381 1.34,382 2.777,383 1.3,384 3.692,385 2.277,386 1.282,387 1.912,389 2.852,390 1.271,391 2.464,392 1.135,393 3.595,394 1.985,395 1.013,396 1.448,398 2.543,399 0.956,400 1.742,401 0.826,402 3.074,403 1.393,404 0.474,405 0.579,407 1.121,408 0.402,409 1.335,410 0.376,411 2.636,412 0.905,413 0.019,414 0.024,415 0.044,416 0.014,417 0.932,418 -0.275,419 2.359,420 0.442,421 -0.512,422 -0.621,423 -1.242,424 -0.439,425 0.798,426 -0.314,427 2.349,428 0.393,429 -0.525,430 -0.715,431 -1.312,432 -0.467,433 0.616,434 -0.645,435 2.114,436 0.212,437 -0.76,438 -1.021,439 -2.028,440 -0.682,441 0.475,442 -0.756,443 2,444 0.012,445 -0.905,446 -1.277,448 -2.212,449 -0.788,450 0.098,451 -0.97,452 1.44,453 -0.288,454 -1.186,455 -1.521,457 -3.134,458 -1.06,459 10.433,460 0.522,461 0.524,462 0.026,463 29.5,464 1.475,465 17,466 0.85,467 12.5,468 0.625,469 14.083,470 0.704,471 19.567,472 0.593,473 17.703,474 0.885,475 5.624,476 0.281,477 4.024,478 0.201,479 0.204,481 0.335,485 1.051,486 0.967,487 0.483,488 0.622,489 1.294,490 0.688,491 0.413,492 0.765,493 0.563,494 0.736,495 0.432,496 0.818,497 0.964,498 1.052,499 0.91,500 0.955,501 0.815,502 0.996,503 0.993,504 0.914,505 1.094,506 1.081,507 0.971,508 1.154,509 0.887,510 0.966,511 0.927,512 1.006,513 0.918,514 1.041,515 1.093,516 1.107,517 1.124,518 1.101,519 1.014,520 1.031,521 1.175,522 1.18,523 0.614,524 0.769,525 1.073,526 0.83,527 1.313,528 1.251,529 1.434,530 1.311,531 1.387,532 1.128,533 4,534 0.012,535 2.667,536 1.438,537 1.24,538 0.5,539 0.365,540 0.307,541 0.151,542 0.081,543 3594,544 11152,545 2.077,546 39.4,547 2,548 6,550 1,551 4,555 1.62,556 1.935,557 2.998,558 1.928,560 1,562 1,564 51.756,565 1.568,566 3.433,567 4.15,568 4.681,569 4.802,570 4.863,571 2.409,572 4.022,573 4.297,574 3.095,575 588.14,576 7.35,577 5887.6,578 1,579 1,580 1,581 1,582 166.465,583 1.441,584 4.248,585 0.182,586 0.006,587 0.086,588 0.045,589 0.048,590 0.023,591 0.018,592 0.017,593 0.013,594 0.016,595 0.454,596 0.17,597 1,598 0.627,599 87.323,600 -0.209,601 0.135,602 -0.009,603 0.119,604 -0.324,605 0.103,606 0.344,607 0.27,608 0.028,609 0.079,610 0.26,611 0.044,612 -0.14,613 -0.06,614 -0.034,615 -0.036,616 -0.085,617 -0.081,618 -0.079,619 0.054,620 -0.082,621 -0.103,622 -0.052,623 -0.194,624 -0.057,625 -0.062,626 -0.03,627 -0.021,628 -0.063,629 -0.017,630 -0.095,631 -0.168,632 -0.1,633 -0.099,634 -0.037,635 -0.025,636 -0.055,637 -0.185,638 0.086,639 0.115,640 0.034,641 0.125,642 0.116,643 -0.231,644 0.031,645 -0.224,646 -0.006,647 -0.157,648 1.466,649 1.903,650 0.8,651 12.3,652 1.002,653 1.119,654 3.783,655 14.307,656 0.733,657 3.135,658 3.466,659 3.738,660 3.989,661 4.234,662 4.205,663 4.263,664 4.357,665 4.407,666 4.304,667 4.799,668 0.689,669 329.22,670 3.135,671 4.673,672 5.525,673 6.405,674 7.276,675 8.159,676 9.035,677 9.919,678 10.799,679 11.683,680 12.1,684 2,690 2,694 2,695 7,696 2,700 5,702 17,711 2,717 1,718 33,719 17,720 2,721 22,722 1,723 35,724 15,725 14,726 4,727 6,729 3,730 4,739 1,741 14,742 1,753 1,754 1,757 13,758 4,759 4,760 5,761 1,764 4,769 0.667,776 1,781 3,785 1,802 2,805 1,810 20,811 2,816 1,828 1,836 10.333,837 5.793,838 4.361,839 1.78,840 3.404,841 1.506,842 1.044,843 3.49,844 10.129,845 3.45,846 4.127,847 4.758,848 5.366,849 5.958,850 6.169,851 6.529,852 6.949,853 7.368,854 7.451,855 1,856 32,857 7.31,859 3.07,860 7.696,861 13.946,863 11.395,865 2.196,866 43.917,867 0.001,870 105.94,871 87.239,872 145.32,877 133.193,878 105.94,879 99.365,881 2.535,882 122.652,883 45.342,884 23.62,885 4.227,886 94.169,887 45.954,888 105.94,889 186.604,892 45.954,893 105.94,897 13.481,898 139.552,899 33.571,900 45.954,901 105.94,902 99.365,903 133.193,906 105.94,907 21.334,908 65.905,909 45.954,910 99.365,911 105.94,912 99.365,913 133.193,915 0.586,916 0.346,917 0.188,918 0.105,919 16,920 7,921 0.057,922 2,923 1,924 1.125,925 3.198,926 153.118,927 0.125,928 16,929 86.439,933 13.191,934 5.291,935 2.594,936 2.373,937 99.365,938 14.066,939 8.014,943 3.783,945 65.794,946 338.498,947 30.5,956 33.054,957 36.911,958 0.311,959 0.681,960 0.823,961 0.928,962 0.952,963 0.964,964 4.666,965 1.013,966 5.517,967 2.852,968 4.143,969 4.812,970 0.655,971 6.333,972 4.049,973 5.904,974 0.474,975 7.083,976 2.543,977 3.761,978 4.691,980 7.248,981 3.584,982 7.227,983 0.019,984 8.748,985 1.121,986 5.74,987 7.117,988 0.356,989 10.353,990 5.583,991 8.588,992 -0.512,993 10.473,994 0.044,995 6.155,996 7.814,998 12.095,999 5.935,1000 9.98,1001 -0.525,1002 12.236,1003 -1.242,1004 7.625,1005 9.718,1006 0.18,1007 14.724,1008 7.419,1009 11.395,1010 -0.76,1011 14.024,1012 -1.312,1013 8.417,1014 10.821,1016 16.815,1017 8.168,1018 12.827,1019 -0.905,1020 15.832,1021 -2.028,1022 9.679,1023 12.497,1024 0.087,1025 19.275,1026 9.43,1027 3.137,1028 -1.186,1029 17.655,1030 -2.212,1031 10.65,1032 13.803,1034 21.518,1035 10.371,1036 2.842,1037 10.754,1038 19.488,1039 -3.134,1040 11.826,1041 15.378,1042 0.041,1043 23.917,1044 11.538,1045 2.293,1046 8.798,1047 21.331,1048 4.535,1049 12.88,1050 16.786,1052 26.228,1053 12.568,1054 2.059,1055 7.108,1056 23.182,1057 3.881,1058 14.024,1059 18.317,1060 0.019,1061 28.606,1062 13.698,1063 1.865,1064 5.776,1065 25.038,1066 3.083,1067 15.117,1068 19.773,1070 30.948,1071 14.77,1072 1.433,1073 4.825,1074 26.9,1075 2.776,1076 16.249,1077 21.287,1078 0.009,1079 33.319,1080 15.885,1081 1.282,1082 3.681,1083 28.766,1084 2.663,1085 17.361,1086 22.768,1088 35.676,1089 16.977,1090 3525,1091 6291,1092 14.622,1093 24.182,1094 33.117,1095 33.635,1096 34.206,1097 33.007,1098 32.835,1099 45.74,1100 1.36,1101 95.005,1102 31.014,1103 5.351,1104 5.317,1105 6.357,1106 5.186,1107 5.137,1108 7.535,1109 1.36,1110 17.938,1111 5.071,1112 9.327,1113 1.505,1114 1.529,1115 1.555,1116 1.5,1117 1.493,1118 2.079,1119 0.062,1120 4.318,1121 1.41,1122 4.102,1123 4.121,1124 6.881,1125 4.079,1126 5.291,1127 4.067,1128 3.852,1129 3.905,1130 4.011,1131 3.698,1132 4.979,1133 3.719,1134 3.477,1135 3.521,1136 3.807,1137 3.407,1138 4.884,1139 3.389,1140 3.228,1141 3.295,1142 3.359,1143 3.135,1144 4.452,1145 3.108,1146 3.039,1147 3.146,1148 3.041,1149 2.807,1150 4.33,1151 2.819,1152 2.901,1153 2.993,1154 2.86,1155 2.61,1156 3.925,1157 2.637,1158 2.69,1159 2.794,1160 2.746,1161 2.578,1162 3.743,1163 2.561,1164 2.655,1165 2.716,1166 2.54,1167 2.494,1168 3.525,1169 2.46,1170 0.208,1171 0.151,1172 0.304,1173 0.187,1174 0.143,1175 4.584,1176 0.206,1177 3.317,1178 0.031,1179 6.677,1180 0.489,1181 4.117,1182 0.14,1183 3.137,1184 4.535,1185 0.68,1186 10.754,1187 3.071,1188 2.085,1189 2.07,1190 2.145,1191 2.13,1192 1.348,1193 2.142,1194 1.778,1195 1.733,1196 1.87,1197 1.961,1198 0.989,1199 1.936,1200 1.482,1201 1.442,1202 1.636,1203 1.602,1204 0.674,1205 1.624,1206 1.191,1207 1.141,1208 1.375,1209 1.41,1210 0.429,1211 1.412,1212 0.964,1213 0.882,1214 1.237,1215 1.292,1216 0.209,1217 1.297,1218 0.844,1219 0.73,1220 1.158,1221 1.121,1222 0.055,1223 1.142,1224 0.696,1225 0.639,1226 1.045,1227 0.969,1229 1.007,1230 0.661,1231 0.568,1232 0.921,1233 0.825,1235 0.865,1236 3.807,1238 5.13,1240 6.663,1242 8.294,1244 9.974,1245 3.575,1250 11.426,1252 0.68,1262 22.745,1263 51.756,1264 113.304,1265 136.955,1266 154.465,1267 158.465,1268 160.465,1269 23.592,1270 6.725,1271 77.82,1272 77.82,1273 18,1274 12.217,1275 4.17,1276 3.248,1277 29.876,1278 57,1279 58,1280 0.262,1281 148.147,1282 240.44,1283 353.239,1284 6646,1285 3,1286 14.113,1287 0.706,1288 0.613,1289 15.113,1290 12.262,1291 9.648,1292 0.439,1293 0.317,1294 6.177,1295 8.899,1296 5.981,1297 4.957,1298 10.225,1299 6.972,1300 8.818,1301 0.284,1302 0.175,1303 9.56,1304 5.422,1305 7.419,1306 0.181,1307 0.096,1308 8.136,1309 3.95,1310 6.145,1311 0.116,1312 0.052,1313 6.725,1314 2.732,1315 5.104,1316 0.075,1317 0.03,1318 5.69,1319 2.009,1320 0.398,1321 67.699,1322 0.262,1323 19.583,1324 0.758,1325 106,1326 276.569,1327 177.921,1328 318.585,1329 432.07,1330 296,1331 125,1332 299.705,1333 164.246,1334 322.031,1335 468.71,1336 303,1337 5.55}
{0 CHEMBL177796,1 1.449,2 8.7,3 1.919,4 3.682,5 83.639,6 7.581,7 0.773,8 3.668,9 3.811,10 3.245,11 3.219,12 4.854,13 3.207,14 4.11,15 4.28,16 3.575,17 3.59,18 5.272,19 3.547,20 4.336,21 4.542,22 3.604,23 3.705,24 5.398,25 3.633,26 4.378,27 4.607,28 3.413,29 3.642,30 5.404,31 3.527,32 4.38,33 4.661,34 3.194,35 3.512,36 5.294,37 3.37,38 4.164,39 4.448,40 3.125,41 3.335,42 5.053,43 3.218,44 3.971,45 4.21,46 3.168,47 3.243,48 5.054,49 3.176,50 3.936,51 4.184,52 3.048,53 3.129,54 5.053,55 3.052,56 0.049,57 0.568,58 6.964,59 2.61,60 10.156,61 3.583,62 0.147,63 0.855,64 11.467,65 4.679,66 17.628,67 6.414,68 0.171,69 1.008,70 15.422,71 5.804,72 18.999,73 8.202,74 0.164,75 0.995,76 16.721,77 6.087,78 28.137,79 8.756,80 0.216,81 0.92,82 18.508,83 5.962,84 32.246,85 8.921,86 0.126,87 0.738,88 15.018,89 5.071,90 19.423,91 7.622,92 0.091,93 0.667,94 11.378,95 3.726,96 17.263,97 5.527,98 0.089,99 0.634,100 11.136,101 3.438,102 18.832,103 5.196,104 5,105 30,106 0.263,107 0.603,108 0.728,109 0.83,110 0.879,111 0.9,112 3.058,113 0.862,114 -3.85,115 -3.81,116 -3.62,119 42.9,125 1,139 7,140 3,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 11,169 1,172 3,173 3,175 1,178 14,185 2,186 1,187 2,188 1,189 12,195 1,196 1,197 1,198 3,200 2,201 6,205 1,207 2,211 1,212 4,214 1,215 2,218 1,221 4,226 3,231 2,234 6,239 4,243 4,246 6,251 5,256 5,260 2,265 4,270 4,273 450,274 13.637,275 13.637,276 13.637,277 13.637,278 13.637,279 11.522,280 13.992,281 8.129,282 13.873,283 10.859,284 10.859,285 10.859,286 10.859,287 10.859,288 7.786,289 21.152,290 3.845,291 11.249,292 3.68,293 1.807,294 1.119,295 0.557,296 0.286,297 0.171,298 3.741,300 1,301 1,302 1,303 377,304 2.236,307 155.098,311 80.836,314 1.16,315 12.787,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 42.5,327 174,328 4.494,329 3.135,330 6.506,331 4.032,332 3.035,333 4.43,334 0.657,335 10.197,336 3.028,337 4.228,338 2.955,339 6.058,340 3.789,341 2.846,342 3.879,344 8.702,345 2.681,346 3.532,347 2.358,348 5.203,349 3.136,350 2.178,351 2.916,353 6.263,354 2.109,355 3.434,356 2.194,357 4.956,358 2.999,359 2.051,360 2.762,362 5.787,363 1.917,364 3.118,365 1.637,366 4.216,367 2.618,368 1.618,369 2.427,371 3.867,372 1.618,373 2.853,374 1.618,375 4.127,376 2.406,377 1.483,378 1.985,380 3.715,381 1.367,382 2.769,383 1.289,384 3.6,385 2.273,386 1.275,387 1.902,389 2.849,390 1.272,391 2.416,392 1.154,393 3.416,394 2.009,395 1.032,396 1.385,398 2.36,399 1.007,400 1.93,401 0.759,402 3.125,403 1.59,404 0.641,405 0.808,407 1.48,408 0.607,409 1.316,410 0.223,411 2.56,412 0.964,413 0.024,414 0.03,415 0.056,416 0.023,417 0.931,418 -0.313,419 2.359,420 0.514,421 -0.458,422 -0.607,423 -1.096,424 -0.445,425 0.882,426 -0.316,427 2.304,428 0.392,429 -0.515,430 -0.622,431 -1.243,432 -0.467,433 0.794,434 -0.618,435 2,436 0.382,437 -0.618,438 -0.927,439 -1.478,440 -0.618,441 0.491,442 -0.819,443 2,444 0.057,445 -0.929,446 -1.251,448 -2.283,449 -0.909,450 0.153,451 -1.033,452 1.721,453 -0.196,454 -1.142,455 -1.517,457 -2.974,458 -1.078,459 9.5,460 0.475,461 0.435,462 0.022,463 30.5,464 1.525,465 17.5,466 0.875,467 13,468 0.65,469 11.153,470 0.558,471 20.5,472 0.586,473 19.534,474 0.977,475 6.165,476 0.308,477 3.572,478 0.179,479 0.084,481 0.316,485 1.226,486 1.109,487 0.835,488 0.835,489 1.34,490 0.79,491 0.604,492 0.925,493 0.831,494 0.98,495 0.498,496 0.945,497 0.816,498 0.988,499 0.98,500 1.052,501 0.728,502 1.041,503 0.926,504 1.12,505 1.198,506 1.264,507 0.898,508 1.268,509 1.096,510 0.852,511 1.114,512 0.968,513 1.1,514 1.03,515 0.817,516 0.873,517 0.789,518 0.827,519 0.659,520 0.808,521 1.097,522 1.119,523 0.885,524 0.936,525 1.084,526 0.891,527 1.202,528 1.287,529 0.994,530 1.08,531 1.135,532 1.021,533 3.5,534 0.037,535 2.444,536 1.125,537 0.849,538 0.382,539 0.264,540 0.215,541 0.159,542 0.108,543 3914,544 10344,545 2.107,546 42.9,548 9,550 1,551 5,555 1.616,556 2,557 3.1,558 2.819,560 1,562 1,564 50.709,565 1.449,566 3.322,567 4.01,568 4.572,569 4.844,570 4.958,571 2.446,572 3.684,573 4.299,574 3.212,575 610.352,576 7.331,577 6267.64,578 1,579 1,581 1,582 179.525,583 1.295,584 4.266,585 0.159,586 0.009,587 0.081,588 0.038,589 0.037,590 0.021,591 0.015,592 0.011,593 0.01,594 0.012,595 0.393,596 0.5,597 1,598 0.548,599 88.652,600 -0.232,601 0.065,603 0.133,604 -0.326,605 0.105,606 0.288,607 0.177,608 0.032,609 0.012,610 0.229,611 -0.009,612 0.095,613 0.049,614 -0.07,615 -0.068,616 0.034,617 -0.087,618 -0.023,619 -0.135,620 -0.261,621 -0.285,622 -0.031,623 -0.302,624 -0.112,625 0.061,626 -0.099,628 -0.153,629 -0.039,630 0.036,631 0.001,632 0.232,633 0.177,634 0.114,635 0.222,636 -0.082,637 -0.133,638 0.085,639 0.026,640 -0.01,641 0.069,642 -0.097,643 -0.308,644 -0.004,645 -0.144,646 0.026,647 -0.076,648 1.488,649 1.805,650 0.8,651 12.7,652 0.998,653 1.131,654 2.623,655 6.881,656 0.681,657 3.135,658 3.434,659 3.689,660 3.912,661 4.111,662 4.043,663 4.06,664 4.159,665 4.248,666 4.174,667 5.172,668 0.65,669 265.35,670 3.135,671 4.654,672 5.493,673 6.354,674 7.207,675 8.071,676 8.928,677 9.793,678 10.652,679 11.517,680 14.3,684 2,685 1,690 2,694 2,695 8,696 2,700 4,702 17,711 2,712 1,718 35,719 17,720 2,721 22,723 37,724 15,725 14,726 3,727 7,729 3,730 4,741 14,742 1,753 1,754 1,757 15,758 5,759 5,760 5,764 5,769 0.667,776 1,781 3,785 1,802 2,810 20,811 2,816 1,817 1,836 10,837 5.983,838 4.417,839 1.856,840 3.39,841 1.507,842 1.039,843 3.396,844 10.076,845 3.45,846 4.094,847 4.707,848 5.286,849 5.839,850 5.967,851 6.252,852 6.627,853 7.03,854 7.002,855 0.833,856 30,857 7.304,859 3.044,860 7.7,861 13.908,863 11.202,865 2.2,866 44,867 0.001,870 117.711,871 92.802,872 117.376,877 92.802,878 117.711,879 117.376,881 2.106,882 132.128,883 63.353,884 20.136,885 4.227,886 105.94,888 117.711,889 210.178,893 117.711,897 13.052,898 145.544,899 51.582,901 117.711,902 117.376,903 92.802,906 117.711,907 17.421,908 75.381,909 18.011,910 99.365,911 117.711,912 117.376,913 92.802,915 0.577,916 0.338,917 0.182,918 0.097,919 15,920 6,921 0.081,922 3,923 1,924 1.125,925 3.3,926 148.133,927 0.125,928 16,929 84.439,933 12.696,934 5.35,935 2.681,936 2.436,937 117.376,938 16.098,939 7.869,943 2.419,945 83.805,946 327.889,947 30.5,956 34.927,957 39.568,958 0.282,959 0.648,960 0.782,961 0.891,962 0.944,963 0.967,964 4.647,965 1.032,966 5.46,967 2.849,968 4.111,969 4.779,970 0.623,971 6.236,972 4.046,973 5.862,974 0.641,975 6.997,976 2.36,977 3.611,978 4.559,980 7.081,981 3.516,982 7.167,983 0.024,984 8.636,985 1.48,986 5.666,987 7.051,988 0.317,989 10.165,990 5.548,991 8.512,992 -0.458,993 10.337,994 0.056,995 5.994,996 7.676,998 11.862,999 5.856,1000 9.888,1001 -0.515,1002 12.078,1003 -1.096,1004 7.506,1005 9.617,1006 0.149,1007 14.447,1008 7.35,1009 11.288,1010 -0.618,1011 13.847,1012 -1.243,1013 8.234,1014 10.664,1016 16.492,1017 8.068,1018 12.707,1019 -0.929,1020 15.635,1021 -1.478,1022 9.509,1023 12.354,1024 0.067,1025 18.902,1026 9.329,1027 3.035,1028 -1.142,1029 17.438,1030 -2.283,1031 10.43,1032 13.616,1034 21.094,1035 10.245,1036 2.846,1037 10.197,1038 19.253,1039 -2.974,1040 11.601,1041 15.189,1042 0.03,1043 23.439,1044 11.405,1045 2.178,1046 8.702,1047 21.076,1048 4.43,1049 12.614,1050 16.559,1052 25.695,1053 12.415,1054 2.051,1055 6.263,1056 22.906,1057 3.879,1058 13.739,1059 18.078,1060 0.013,1061 28.018,1062 13.534,1063 1.618,1064 5.787,1065 24.742,1066 2.916,1067 14.795,1068 19.502,1070 30.303,1071 14.588,1072 1.483,1073 3.867,1074 26.582,1075 2.762,1076 15.902,1077 20.997,1078 0.006,1079 32.618,1080 15.691,1081 1.275,1082 3.715,1083 28.426,1084 2.427,1085 16.978,1086 22.448,1088 34.919,1089 16.767,1090 3785,1091 6246,1092 14.909,1093 23.836,1094 32.595,1095 32.573,1096 33.321,1097 32.359,1098 32.367,1099 45.047,1100 1.315,1101 90.554,1102 31.255,1103 5.325,1104 5.135,1105 6.195,1106 5.101,1107 5.035,1108 7.43,1109 1.315,1110 16.981,1111 5.028,1112 7.75,1113 1.482,1114 1.481,1115 1.515,1116 1.471,1117 1.471,1118 2.048,1119 0.06,1120 4.116,1121 1.421,1122 4.093,1123 4.117,1124 4.046,1125 4.054,1126 5.295,1127 4.049,1128 3.861,1129 3.922,1130 3.827,1131 3.671,1132 4.98,1133 3.704,1134 3.499,1135 3.551,1136 3.396,1137 3.41,1138 4.895,1139 3.4,1140 3.283,1141 3.364,1142 3.164,1143 3.115,1144 4.486,1145 3.114,1146 3.074,1147 3.186,1148 2.948,1149 2.824,1150 4.337,1151 2.848,1152 2.934,1153 3.033,1154 2.791,1155 2.651,1156 4.044,1157 2.666,1158 2.796,1159 2.898,1160 2.609,1161 2.574,1162 3.757,1163 2.572,1164 2.662,1165 2.72,1166 2.534,1167 2.548,1168 3.722,1169 2.546,1170 0.204,1171 0.142,1172 0.296,1173 0.183,1174 0.138,1175 4.494,1176 0.201,1177 3.135,1178 0.03,1179 6.506,1180 0.464,1181 4.032,1182 0.138,1183 3.035,1184 4.43,1185 0.657,1186 10.197,1187 3.028,1188 2.081,1189 2.062,1190 2.166,1191 2.138,1192 1.325,1193 2.148,1194 1.761,1195 1.707,1196 1.844,1197 1.979,1198 0.894,1199 1.944,1200 1.507,1201 1.464,1202 1.685,1203 1.643,1204 0.717,1205 1.66,1206 1.253,1207 1.188,1208 1.488,1209 1.483,1210 0.574,1211 1.49,1212 0.995,1213 0.908,1214 1.266,1215 1.349,1216 0.243,1217 1.34,1218 0.872,1219 0.766,1220 1.18,1221 1.176,1222 0.06,1223 1.185,1224 0.771,1225 0.668,1226 1.111,1227 1.051,1229 1.082,1230 0.686,1231 0.631,1232 0.948,1233 0.838,1235 0.878,1236 3.807,1238 5.106,1240 6.616,1242 8.223,1244 9.875,1250 11.284,1252 0.652,1253 3.243,1262 22.741,1263 50.709,1264 116.264,1265 140.364,1266 160.015,1267 169.525,1268 173.525,1269 21.744,1270 6.686,1271 89.85,1272 89.85,1273 18,1274 12.065,1275 4.17,1276 3.248,1277 30.029,1278 63,1279 58,1280 0.239,1281 143.028,1282 232.16,1283 340.748,1284 6748,1286 13.949,1287 0.697,1288 0.544,1289 13.949,1290 10.875,1291 9.737,1292 0.443,1293 0.287,1294 6.253,1295 9.465,1296 6.121,1297 5.105,1298 9.737,1299 6.324,1300 8.632,1301 0.288,1302 0.151,1303 8.632,1304 4.519,1305 7.241,1306 0.186,1307 0.082,1308 7.241,1309 3.186,1310 6.015,1311 0.123,1312 0.045,1313 6.015,1314 2.183,1315 4.771,1316 0.08,1317 0.024,1318 4.771,1319 1.454,1320 0.37,1321 60.317,1322 0.259,1323 19.908,1324 0.661,1325 104,1326 268.248,1327 111.771,1328 273.438,1329 383.26,1330 256,1331 121,1332 292.662,1333 128.41,1334 301.4,1335 436.24,1336 284,1337 5.229}
{0 CHEMBL177862,1 1.449,2 9.35,3 1.919,4 3.682,5 83.639,6 7.581,7 0.773,8 3.668,9 3.811,10 3.245,11 3.219,12 4.853,13 3.207,14 4.11,15 4.28,16 3.575,17 3.59,18 5.274,19 3.547,20 4.336,21 4.542,22 3.581,23 3.696,24 5.408,25 3.619,26 4.374,27 4.619,28 3.337,29 3.596,30 5.38,31 3.471,32 4.301,33 4.588,34 3.123,35 3.43,36 5.203,37 3.291,38 4.058,39 4.321,40 3.084,41 3.263,42 5.003,43 3.155,44 3.973,45 4.231,46 3.032,47 3.175,48 5.001,49 3.09,50 3.857,51 4.121,52 2.949,53 3.07,54 4.867,55 2.981,56 0.049,57 0.568,58 6.964,59 2.61,60 10.069,61 3.583,62 0.147,63 0.855,64 11.467,65 4.679,66 17.37,67 6.414,68 0.168,69 1.005,70 15.39,71 5.804,72 19.841,73 8.201,74 0.182,75 0.967,76 17.176,77 6.063,78 30.117,79 8.814,80 0.209,81 0.843,82 17.308,83 5.539,84 30.008,85 8.313,86 0.089,87 0.684,88 12.965,89 4.502,90 17.283,91 6.706,92 0.127,93 0.647,94 11.817,95 3.56,96 20.43,97 5.361,98 0.082,99 0.564,100 10.621,101 3.532,102 14.592,103 5.3,104 5,105 30,106 0.263,107 0.603,108 0.732,109 0.844,110 0.869,111 0.89,112 3.057,113 0.861,114 -3.85,115 -3.81,116 -3.62,119 42.9,125 1,139 7,140 3,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 11,169 1,172 3,173 3,175 1,178 14,185 2,186 1,187 2,188 1,189 12,195 1,196 1,197 1,198 2,200 2,201 6,205 1,207 2,211 1,212 3,214 1,215 2,218 1,221 4,226 4,231 2,234 4,239 4,243 3,246 4,251 4,256 4,260 4,265 4,270 4,273 450,274 13.585,275 13.585,276 13.585,277 13.585,278 13.585,279 11.49,280 13.992,281 8.084,282 13.821,283 10.865,284 10.865,285 10.865,286 10.865,287 10.865,288 7.801,289 21.152,290 3.862,291 11.256,292 3.68,293 1.807,294 1.097,295 0.479,296 0.343,297 0.229,298 3.741,300 1,301 1,302 1,303 406,304 2.236,307 163.078,311 85.078,314 1.35,315 12.823,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 42.5,327 187,328 4.407,329 3.03,330 6.184,331 3.926,332 2.93,333 4.336,334 0.657,335 9.228,336 2.922,337 4.229,338 2.927,339 6.059,340 3.792,341 2.847,342 3.879,344 8.707,345 2.685,346 3.649,347 2.513,348 5.256,349 3.281,350 2.298,351 3.057,353 6.675,354 2.263,355 3.448,356 2.238,357 4.954,358 3.016,359 2.092,360 2.766,362 5.794,363 1.922,364 3.118,365 1.637,366 4.415,367 2.618,368 1.618,369 2.427,371 4.369,372 1.618,373 2.906,374 1.618,375 4.172,376 2.436,377 1.488,378 2.095,380 3.77,381 1.424,382 2.843,383 1.425,384 3.621,385 2.373,386 1.401,387 1.976,389 3.016,390 1.344,391 2.22,392 1.004,393 3.304,394 1.804,395 0.845,396 1.109,398 1.939,399 0.807,400 1.954,401 0.679,402 3.134,403 1.6,404 0.631,405 0.835,407 1.468,408 0.611,409 1.308,410 0.24,411 2.619,412 0.962,413 0.025,414 0.031,415 0.06,416 0.024,417 0.93,418 -0.314,419 2.359,420 0.508,421 -0.466,422 -0.618,423 -1.097,424 -0.453,425 0.882,426 -0.329,427 2.251,428 0.392,429 -0.515,430 -0.626,431 -1.243,432 -0.468,433 0.794,434 -0.618,435 2,436 0.382,437 -0.618,438 -0.927,439 -1.598,440 -0.618,441 0.418,442 -0.848,443 2,444 -0.024,445 -1,446 -1.288,448 -2.666,449 -0.96,450 0.195,451 -1.071,452 1.664,453 -0.16,454 -1.129,455 -1.59,457 -3.016,458 -1.098,459 9.5,460 0.475,461 0.452,462 0.023,463 30.5,464 1.525,465 17.5,466 0.875,467 13,468 0.65,469 11.006,470 0.55,471 20.5,472 0.586,473 19.348,474 0.967,475 6.149,476 0.307,477 3.571,478 0.179,479 0.084,481 0.316,485 1.226,486 1.109,487 0.835,488 0.835,489 1.345,490 0.79,491 0.604,492 0.925,493 0.831,494 0.98,495 0.485,496 0.945,497 0.824,498 1.029,499 1.028,500 1.112,501 0.746,502 1.1,503 0.944,504 1.046,505 1.183,506 1.201,507 0.924,508 1.221,509 1.069,510 0.772,511 1.048,512 0.878,513 1.113,514 0.946,515 0.813,516 1.076,517 0.861,518 1.007,519 0.653,520 0.952,521 1.345,522 0.992,523 1.041,524 0.887,525 1.295,526 0.916,527 0.903,528 1.033,529 0.795,530 0.889,531 0.83,532 0.838,533 4,534 0.074,535 2.222,536 0.875,537 1.049,538 0.375,539 0.181,540 0.264,541 0.168,542 0.076,543 4134,544 10876,545 2.107,546 42.9,548 9,550 1,551 5,555 1.612,556 2,557 3.21,558 2.819,560 1,562 1,564 50.709,565 1.449,566 3.322,567 4.032,568 4.651,569 4.786,570 4.901,571 2.666,572 3.922,573 4.298,574 3.32,575 630.835,576 7.31,577 6542.73,578 1,579 1,581 1,582 179.525,583 1.295,584 4.266,585 0.182,586 0.011,587 0.074,588 0.03,589 0.05,590 0.022,591 0.011,592 0.016,593 0.011,594 0.006,595 0.413,596 0.5,597 1,598 0.548,599 89.554,600 -0.232,601 0.065,603 0.133,604 -0.331,605 0.105,606 0.288,607 0.177,608 0.032,609 0.012,610 0.242,611 -0.009,612 0.086,613 0.006,614 -0.119,615 -0.13,616 0.019,617 -0.148,618 -0.022,619 -0.084,620 -0.223,621 -0.225,622 -0.035,623 -0.247,624 -0.088,625 0.13,626 -0.023,627 0.093,628 -0.129,629 0.053,630 0.038,631 -0.172,632 0.132,633 -0.007,634 0.133,635 0.061,636 -0.221,637 -0.013,638 -0.042,639 0.048,640 -0.189,641 0.032,642 0.023,643 -0.114,644 0.208,645 0.096,646 0.141,647 0.163,648 1.487,649 1.782,650 0.8,651 13.95,652 0.998,653 1.131,654 2.623,655 6.881,656 0.681,657 3.135,658 3.434,659 3.664,660 3.871,661 4.094,662 4.025,663 4.007,664 4.143,665 4.248,666 4.159,667 5.477,668 0.65,669 265.35,670 3.135,671 4.654,672 5.485,673 6.34,674 7.185,675 8.041,676 8.89,677 9.747,678 10.597,679 11.454,680 14.3,684 2,685 1,690 2,694 2,695 8,696 2,700 4,702 17,711 2,712 1,718 35,719 17,720 2,721 22,723 37,724 15,725 14,726 3,727 7,729 3,730 4,741 14,742 1,753 1,754 1,757 15,758 5,759 5,760 5,764 5,769 0.667,776 1,781 3,785 1,802 2,810 20,811 2,816 1,817 1,836 10,837 5.983,838 4.389,839 1.849,840 3.354,841 1.502,842 1.039,843 3.396,844 10.04,845 3.45,846 4.094,847 4.687,848 5.257,849 5.837,850 5.973,851 6.231,852 6.633,853 7.038,854 6.972,855 1,856 29,857 7.303,859 3.043,860 7.7,861 13.908,863 11.197,865 2.2,866 44,867 0.001,870 117.711,871 92.802,872 117.376,877 92.802,878 117.711,879 117.376,881 2.106,882 132.128,883 63.353,884 20.136,885 4.227,886 105.94,888 117.711,889 210.178,893 117.711,897 13.052,898 145.544,899 51.582,901 117.711,902 117.376,903 92.802,906 117.711,907 17.421,908 75.381,909 18.011,910 99.365,911 117.711,912 117.376,913 92.802,915 0.579,916 0.332,917 0.174,918 0.095,919 15,920 6,921 0.081,922 3,923 1,924 1.125,925 3.347,926 145.838,927 0.125,928 16,929 86.439,933 12.696,934 5.35,935 2.833,936 2.444,937 117.376,938 16.199,939 7.844,943 2.393,945 83.805,946 327.889,947 30.5,956 34.927,957 39.568,958 0.282,959 0.648,960 0.786,961 0.907,962 0.933,963 0.955,964 4.647,965 0.845,966 5.451,967 3.016,968 4.111,969 4.779,970 0.623,971 6.205,972 4.046,973 5.862,974 0.631,975 6.974,976 1.939,977 3.611,978 4.559,980 6.969,981 3.516,982 7.164,983 0.025,984 8.594,985 1.468,986 5.652,987 7.039,988 0.317,989 10.019,990 5.532,991 8.502,992 -0.466,993 10.268,994 0.06,995 5.943,996 7.628,998 11.588,999 5.797,1000 9.869,1001 -0.515,1002 11.978,1003 -1.097,1004 7.452,1005 9.571,1006 0.149,1007 14.131,1008 7.287,1009 11.256,1010 -0.618,1011 13.712,1012 -1.243,1013 8.128,1014 10.569,1016 16.044,1017 7.943,1018 12.661,1019 -1,1020 15.463,1021 -1.598,1022 9.398,1023 12.261,1024 0.067,1025 18.393,1026 9.195,1027 2.93,1028 -1.129,1029 17.227,1030 -2.666,1031 10.269,1032 13.477,1034 20.461,1035 10.05,1036 2.847,1037 9.228,1038 19,1039 -3.016,1040 11.426,1041 15.045,1042 0.03,1043 22.729,1044 11.192,1045 2.298,1046 8.707,1047 20.781,1048 4.336,1049 12.395,1050 16.375,1052 24.869,1053 12.146,1054 2.092,1055 6.675,1056 22.568,1057 3.879,1058 13.5,1059 17.882,1060 0.013,1061 27.101,1062 13.239,1063 1.618,1064 5.794,1065 24.36,1066 3.057,1067 14.517,1068 19.272,1070 29.276,1071 14.243,1072 1.488,1073 4.369,1074 26.155,1075 2.766,1076 15.599,1077 20.751,1078 0.006,1079 31.493,1080 15.314,1081 1.401,1082 3.77,1083 27.954,1084 2.427,1085 16.639,1086 22.172,1088 33.684,1089 16.345,1090 3972,1091 6537,1092 14.909,1093 23.836,1094 32.594,1095 32.551,1096 33.105,1097 32.344,1098 32.353,1099 45.025,1100 1.315,1101 90.054,1102 31.242,1103 5.234,1104 5.03,1105 5.871,1106 4.995,1107 4.93,1108 7.336,1109 1.315,1110 15.542,1111 4.922,1112 7.805,1113 1.482,1114 1.48,1115 1.505,1116 1.47,1117 1.471,1118 2.047,1119 0.06,1120 4.093,1121 1.42,1122 4.088,1123 4.112,1124 4.039,1125 4.049,1126 5.295,1127 4.043,1128 3.865,1129 3.926,1130 3.83,1131 3.676,1132 4.98,1133 3.708,1134 3.538,1135 3.59,1136 3.443,1137 3.443,1138 4.898,1139 3.437,1140 3.204,1141 3.294,1142 3.087,1143 3.017,1144 4.492,1145 3.016,1146 3.061,1147 3.162,1148 2.935,1149 2.886,1150 4.331,1151 2.896,1152 2.984,1153 3.069,1154 2.834,1155 2.716,1156 3.974,1157 2.731,1158 2.843,1159 2.949,1160 2.686,1161 2.574,1162 3.822,1163 2.6,1164 2.585,1165 2.662,1166 2.415,1167 2.438,1168 3.737,1169 2.42,1170 0.2,1171 0.138,1172 0.281,1173 0.178,1174 0.133,1175 4.407,1176 0.197,1177 3.03,1178 0.03,1179 6.184,1180 0.419,1181 3.926,1182 0.133,1183 2.93,1184 4.336,1185 0.657,1186 9.228,1187 2.922,1188 2.077,1189 2.058,1190 2.165,1191 2.134,1192 1.309,1193 2.145,1194 1.766,1195 1.713,1196 1.854,1197 1.983,1198 0.936,1199 1.949,1200 1.537,1201 1.494,1202 1.699,1203 1.679,1204 0.728,1205 1.691,1206 1.16,1207 1.091,1208 1.405,1209 1.423,1210 0.482,1211 1.42,1212 1.033,1213 0.964,1214 1.275,1215 1.323,1216 0.327,1217 1.322,1218 0.921,1219 0.815,1220 1.234,1221 1.19,1222 0.015,1223 1.213,1224 0.79,1225 0.684,1226 1.121,1227 1.108,1229 1.127,1230 0.611,1231 0.536,1232 0.942,1233 0.809,1235 0.858,1236 3.807,1238 5.106,1240 6.608,1242 8.201,1244 9.837,1250 11.249,1252 0.655,1253 3.216,1262 22.741,1263 50.709,1264 116.264,1265 141.119,1266 162.77,1267 167.525,1268 171.525,1269 21.558,1270 6.686,1271 89.85,1272 89.85,1273 18,1274 12.008,1275 4.17,1276 3.248,1277 30.167,1278 67,1279 58,1280 0.224,1281 143.028,1282 232.16,1283 340.748,1284 6782,1286 13.949,1287 0.697,1288 0.544,1289 13.949,1290 10.875,1291 9.72,1292 0.442,1293 0.287,1294 6.247,1295 9.448,1296 6.112,1297 5.101,1298 9.72,1299 6.318,1300 8.717,1301 0.291,1302 0.152,1303 8.717,1304 4.562,1305 7.203,1306 0.19,1307 0.082,1308 7.203,1309 3.134,1310 5.839,1311 0.124,1312 0.045,1313 5.839,1314 2.092,1315 4.724,1316 0.08,1317 0.024,1318 4.724,1319 1.439,1320 0.354,1321 60.216,1322 0.259,1323 20.137,1324 0.606,1325 104,1326 268.248,1327 111.771,1328 273.73,1329 382.76,1330 256,1331 120,1332 291.662,1333 127.41,1334 300.897,1335 434.02,1336 283,1337 4.147}
{0 CHEMBL178119,1 1.622,2 10.741,3 2.652,4 7.031,5 106.892,6 7.389,7 0.586,8 4.019,9 4.144,10 3.569,11 3.451,12 5.195,13 3.463,14 4.517,15 4.701,16 3.903,17 3.799,18 5.628,19 3.803,20 4.62,21 4.767,22 4.032,23 3.99,24 5.721,25 3.978,26 4.842,27 5.023,28 4.046,29 4.092,30 5.944,31 4.023,32 4.966,33 5.206,34 3.962,35 4.093,36 5.922,37 3.999,38 4.973,39 5.202,40 3.807,41 4.009,42 5.927,43 3.923,44 4.827,45 5.069,46 3.641,47 3.958,48 5.761,49 3.822,50 4.866,51 5.187,52 3.568,53 3.807,54 5.637,55 3.663,56 0.082,57 0.739,58 10.69,59 4.038,60 12.51,61 5.484,62 0.439,63 1.082,64 20.3,65 6.51,66 34.047,67 8.754,68 0.246,69 1.296,70 20.526,71 7.362,72 18.114,73 10.076,74 0.68,75 1.473,76 27.271,77 9.774,78 44.953,79 13.756,80 0.431,81 1.528,82 32.725,83 10.97,84 42.682,85 15.983,86 0.886,87 1.388,88 35.207,89 9.909,90 62.506,91 13.806,92 0.4,93 1.32,94 28.431,95 9.617,96 43.376,97 14.049,98 0.497,99 1.174,100 33.318,101 9.824,102 44.679,103 15.39,104 46,105 41,106 0.274,107 0.606,108 0.722,109 0.778,110 0.787,111 0.815,112 3.34,113 0.858,114 -3.2,115 -3.19,116 -3.06,119 38,124 4,125 1,139 5,140 2,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 12,172 3,173 3,175 1,178 5,180 1,182 5,187 1,189 2,191 1,192 5,193 6,195 1,196 1,197 1,198 3,200 2,201 2,204 3,205 1,206 2,207 1,209 1,210 1,212 3,215 2,218 3,220 1,221 4,229 4,234 6,236 1,237 1,239 1,241 4,243 1,246 2,259 4,260 6,262 2,263 2,265 3,270 3,273 1053,274 18.143,275 18.143,276 18.143,277 18.143,278 18.143,279 16.107,280 26.521,281 10.387,282 18.945,283 14.097,284 14.097,285 14.097,286 14.097,287 14.097,288 10.793,289 36.225,290 4.66,291 15.097,292 4.022,293 2.056,294 1.368,295 1.041,296 0.986,297 0.82,298 4.018,300 1,301 1,302 1,303 609,304 3.391,307 235.918,311 122.474,314 1.492,315 23.64,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 59.5,327 290,328 4.551,329 3.394,330 6.559,331 4.087,332 3.123,333 4.495,334 0.916,335 10.41,336 3.011,337 4.428,338 3.155,339 6.509,340 4.021,341 3.057,342 4.108,343 0.86,344 10.204,345 2.942,346 3.917,347 2.9,348 5.955,349 3.587,350 2.652,351 3.331,352 0.86,353 8.342,354 2.479,355 3.558,356 2.647,357 5.265,358 3.17,359 2.237,360 2.885,361 0.86,362 6.62,363 2.08,364 3.448,365 2.555,366 5.19,367 3.011,368 2.091,369 2.811,370 0.172,371 6.118,372 1.918,373 3.416,374 2.23,375 5.065,376 2.972,377 2.061,378 2.761,380 5.907,381 1.879,382 3.355,383 2.073,384 5.011,385 2.935,386 1.99,387 2.604,389 5.793,390 1.867,391 2.623,392 1.789,393 4.255,394 2.334,395 1.396,396 1.645,398 3.812,399 1.303,400 2.439,401 1.317,402 3.712,403 1.978,404 1.006,405 1.415,407 2.565,408 0.976,409 1.956,410 1.102,411 3.606,412 1.729,413 0.838,414 0.909,415 1.872,416 0.739,417 1.599,418 1.056,419 2.859,420 1.344,421 0.501,422 0.54,423 0.705,424 0.419,425 1.576,426 0.916,427 2.793,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.361,434 0.475,435 2.729,436 0.947,437 0.02,438 0.025,439 0.044,440 0.018,441 1.011,442 0.086,443 2.621,444 0.751,445 -0.155,446 -0.176,448 -0.281,449 -0.139,450 0.959,451 -0.298,452 2.489,453 0.477,454 -0.448,455 -0.578,457 -1.156,458 -0.412,459 12.5,460 0.463,461 0.712,462 0.026,463 37.25,464 1.38,465 19,466 0.704,467 18.25,468 0.676,469 20.729,470 0.768,471 30.1,472 0.602,473 29.696,474 1.1,475 7.801,476 0.289,477 5.159,478 0.191,479 0.224,481 0.392,485 1.015,486 1.456,487 0.821,488 1.212,489 1.177,490 1.001,491 1.335,492 0.743,493 0.787,494 0.641,495 0.793,496 0.622,497 1.151,498 1.328,499 0.996,500 1.162,501 0.971,502 1.059,503 0.653,504 1.255,505 1.052,506 1.299,507 0.745,508 1.268,509 0.786,510 1.077,511 0.957,512 1.188,513 0.784,514 1.117,515 1.777,516 0.807,517 1.299,518 0.834,519 1.32,520 0.976,521 0.852,522 1.074,523 1.197,524 1.263,525 1.043,526 1.288,527 0.681,528 0.703,529 0.604,530 0.678,531 0.556,532 0.637,533 6.5,534 0.206,535 3.333,536 2.188,537 2.382,538 1.354,539 0.404,540 0.432,541 0.377,542 0.198,543 8033,544 23273,545 1.992,546 46,548 19,551 4,555 1.703,556 1.82,557 3.354,558 1.734,559 1,560 1,564 81.076,565 1.622,566 3.588,567 4.276,568 4.603,569 4.658,570 4.823,571 2.809,572 4.459,573 4.729,574 3.502,575 1229.03,576 8.218,577 15531.5,579 1,581 1,582 282.193,583 1.541,584 4.659,585 0.224,586 0.011,587 0.081,588 0.048,589 0.055,590 0.035,591 0.012,592 0.016,593 0.014,594 0.008,595 0.504,596 0.17,597 1,598 1.011,599 132.936,600 -0.105,601 -0.2,602 0.045,603 -0.109,604 -0.217,605 -0.01,606 -0.11,607 0.345,608 0.187,609 0.367,610 0.134,611 0.333,612 -0.189,613 -0.127,614 -0.106,615 -0.085,616 -0.15,617 -0.075,618 0.283,619 -0.168,620 -0.134,621 -0.241,622 0.111,623 -0.27,624 0.028,625 -0.095,626 -0.005,627 -0.177,628 0.055,629 -0.107,630 -0.354,631 0.096,632 -0.258,633 0.121,634 -0.285,635 -0.032,636 -0.092,637 -0.085,638 -0.258,639 -0.246,640 -0.212,641 -0.276,642 0.091,643 0.074,644 0.423,645 0.282,646 0.21,647 0.4,648 1.506,649 2.029,650 0.593,651 22.074,652 1.009,653 1.137,654 1.966,655 3.866,656 0.645,657 3.401,658 3.738,659 4.025,660 4.29,661 4.543,662 4.585,663 4.595,664 4.635,665 4.71,666 4.762,667 6.185,668 0.62,669 369.47,670 3.401,671 4.949,672 5.808,673 6.698,674 7.577,675 8.47,676 9.353,677 10.246,678 11.132,679 12.025,680 10,684 2,686 1,690 2,694 2,695 5,696 2,700 7,702 17,711 2,714 1,716 3,718 50,719 17,720 2,721 29,723 52,724 19,725 14,726 7,727 5,729 3,730 4,741 14,742 5,753 1,754 1,757 23,758 8,759 4,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,802 2,806 4,810 27,811 2,816 1,818 3,821 1,829 6,834 3,836 14.833,837 10.183,838 6.139,839 2.494,840 3.404,841 1.466,842 0.965,843 5.771,844 10.704,845 3.651,846 4.304,847 4.933,848 5.539,849 6.126,850 6.397,851 6.686,852 6.995,853 7.374,854 7.504,855 1,856 46,857 9.876,859 4.026,860 7.759,861 18.617,863 14.479,865 2.259,866 61,869 1,870 223.651,871 121.149,872 102.49,874 33,877 121.149,878 256.651,879 102.49,880 41.046,881 2.106,882 113.176,883 33.571,884 62.514,885 4.227,886 223.651,888 223.651,889 223.639,890 33,893 223.651,894 33,897 6.149,898 183.919,899 33.571,901 223.651,902 135.489,903 121.149,906 223.651,907 32.722,908 91.551,910 132.365,911 223.651,912 135.489,913 121.149,915 0.579,916 0.357,917 0.198,918 0.115,919 19,920 10,921 0.115,922 6,923 1,924 1.125,925 3.699,926 230.756,927 0.125,928 16,929 120.382,933 19.324,934 8.064,935 3.964,936 1.457,937 135.489,938 9.433,939 8.241,943 4.417,945 65.794,946 480.29,947 37.5,956 50.443,957 56.857,958 0.287,959 0.636,960 0.758,961 0.816,962 0.825,963 0.855,964 4.892,965 1.396,966 5.814,967 5.793,968 4.419,969 4.99,970 1.938,971 6.653,972 4.299,973 6.126,974 1.006,975 7.397,976 3.812,977 4.111,978 4.956,979 0.325,980 7.6,981 3.948,982 7.456,983 0.838,984 9.074,985 2.565,986 6.047,987 7.281,988 1.656,989 10.688,990 5.84,991 8.823,992 0.501,993 10.804,994 1.872,995 6.509,996 8.02,997 0.393,998 12.408,999 6.259,1000 10.218,1001 0.396,1002 12.567,1003 0.705,1004 7.944,1005 9.861,1006 1.418,1007 15.028,1008 7.665,1009 11.633,1010 0.02,1011 14.352,1012 0.603,1013 8.76,1014 10.973,1015 0.384,1016 17.087,1017 8.441,1018 13.063,1019 -0.155,1020 16.154,1021 0.044,1022 10.001,1023 12.614,1024 1.207,1025 19.532,1026 9.656,1027 3.123,1028 -0.448,1029 17.968,1030 -0.281,1031 10.984,1032 13.914,1033 0.351,1034 21.743,1035 10.601,1036 3.057,1037 10.41,1038 19.793,1039 -1.156,1040 12.149,1041 15.466,1042 1.019,1043 24.12,1044 11.739,1045 2.652,1046 10.204,1047 21.626,1048 4.495,1049 13.209,1050 16.862,1051 0.312,1052 26.397,1053 12.762,1054 2.237,1055 8.342,1056 23.466,1057 4.108,1058 14.346,1059 18.375,1060 0.852,1061 28.747,1062 13.869,1063 2.091,1064 6.62,1065 25.312,1066 3.331,1067 15.442,1068 19.817,1069 0.273,1070 31.054,1071 14.928,1072 2.061,1073 6.118,1074 27.162,1075 2.885,1076 16.57,1077 21.314,1078 0.706,1079 33.393,1080 16.024,1081 1.99,1082 5.907,1083 29.016,1084 2.811,1085 17.681,1086 22.78,1087 0.236,1088 35.714,1089 17.1,1090 7975,1091 13689,1092 18.611,1093 32.245,1094 42.836,1095 44.19,1096 45.762,1097 42.652,1098 42.739,1099 55.956,1100 7.338,1101 125.988,1102 39.946,1103 5.398,1104 5.394,1105 6.112,1106 5.158,1107 5.123,1108 7.495,1109 1.776,1110 17.33,1111 5.011,1112 16.386,1113 1.477,1114 1.524,1115 1.578,1116 1.471,1117 1.474,1118 1.93,1119 0.253,1120 4.344,1121 1.377,1122 4.078,1123 4.113,1124 4.047,1125 3.98,1126 5.308,1127 3.992,1128 3.938,1129 3.95,1130 3.901,1131 3.843,1132 4.983,1133 3.854,1134 3.567,1135 3.639,1136 3.496,1137 3.351,1138 4.957,1139 3.379,1140 3.335,1141 3.397,1142 3.213,1143 3.114,1144 4.701,1145 3.128,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.253,1153 3.33,1154 3.078,1155 2.973,1156 4.576,1157 2.984,1158 3.13,1159 3.236,1160 3.016,1161 2.887,1162 4.263,1163 2.906,1164 3.107,1165 3.204,1166 2.846,1167 2.845,1168 4.023,1169 2.828,1170 0.157,1171 0.117,1172 0.226,1173 0.141,1174 0.108,1175 4.551,1176 0.155,1177 3.394,1178 0.032,1179 6.559,1180 0.359,1181 4.087,1182 0.104,1183 3.123,1184 4.495,1185 0.916,1186 10.41,1187 3.011,1188 2.015,1189 1.987,1190 2.08,1191 2.133,1192 1.229,1193 2.118,1194 1.887,1195 1.876,1196 1.967,1197 2.009,1198 1.127,1199 1.994,1200 1.487,1201 1.42,1202 1.693,1203 1.742,1204 0.787,1205 1.728,1206 1.272,1207 1.21,1208 1.59,1209 1.561,1210 0.587,1211 1.565,1212 1.227,1213 1.163,1214 1.587,1215 1.558,1216 0.584,1217 1.565,1218 1.203,1219 1.121,1220 1.515,1221 1.498,1222 0.552,1223 1.509,1224 1.104,1225 1.006,1226 1.472,1227 1.391,1228 0.472,1229 1.435,1230 1.046,1231 0.964,1232 1.314,1233 1.386,1234 0.389,1235 1.371,1236 4.078,1238 5.407,1240 6.944,1242 8.579,1244 10.266,1246 6.819,1250 11.66,1252 0.553,1254 16.361,1257 2.058,1262 30.993,1263 81.076,1264 179.406,1265 213.789,1266 230.154,1267 232.909,1268 241.173,1269 41.83,1270 7.3,1271 108.75,1272 108.75,1273 18,1274 12.553,1275 4.17,1276 3.248,1277 46.925,1278 101,1279 97,1280 0.231,1281 193.386,1282 327.73,1283 463.621,1284 13867,1286 19.552,1287 0.724,1288 0.586,1289 19.552,1290 15.815,1291 12.96,1292 0.447,1293 0.286,1294 8.085,1295 12.189,1296 7.751,1297 6.533,1298 12.96,1299 8.292,1300 11.51,1301 0.281,1302 0.147,1303 11.51,1304 6.035,1305 9.857,1306 0.179,1307 0.08,1308 9.857,1309 4.379,1310 8.197,1311 0.114,1312 0.041,1313 8.197,1314 2.958,1315 6.816,1316 0.073,1317 0.022,1318 6.816,1319 2.04,1320 0.359,1321 83.161,1322 0.232,1323 25.645,1324 0.644,1325 140,1326 446.766,1327 157.1,1328 423.267,1329 581.09,1330 398,1331 166,1332 429.425,1333 182.964,1334 439.596,1335 636.45,1336 406,1337 4.644}
{0 CHEMBL178512,1 1.631,2 11.935,3 2.301,4 5.297,5 120.321,6 7.646,7 0.647,8 4.131,9 4.268,10 3.713,11 3.573,12 5.316,13 3.59,14 4.613,15 4.796,16 4.056,17 3.938,18 5.743,19 3.942,20 4.752,21 4.927,22 4.158,23 4.083,24 5.853,25 4.07,26 4.909,27 5.103,28 4.192,29 4.159,30 6.043,31 4.114,32 5.068,33 5.314,34 4.047,35 4.15,36 6.078,37 4.072,38 4.978,39 5.241,40 3.897,41 4.038,42 5.923,43 3.943,44 4.877,45 5.141,46 3.799,47 3.971,48 5.798,49 3.875,50 4.799,51 5.053,52 3.753,53 3.965,54 5.711,55 3.855,56 0.129,57 0.882,58 11.278,59 4.068,60 14.459,61 5.606,62 0.419,63 1.3,64 20.847,65 6.775,66 33.626,67 9.336,68 0.39,69 1.521,70 22.984,71 7.551,72 23.41,73 10.884,74 0.497,75 1.693,76 27.62,77 9.414,78 41.839,79 13.566,80 0.801,81 1.739,82 36.412,83 9.527,84 65.247,85 14.834,86 0.656,87 1.528,88 34.052,89 9.531,90 53.365,91 14.615,92 0.606,93 1.371,94 31.188,95 9.209,96 50.482,97 13.66,98 0.432,99 1.323,100 27.829,101 9.286,102 40.033,103 13.65,104 30,105 48,106 0.267,107 0.649,108 0.791,109 0.821,110 0.833,111 0.839,112 3.472,113 0.844,114 -3.26,115 -3.25,116 -3.11,119 38.2,120 1,124 2,125 1,139 4,140 3,141 4,142 1,144 1,146 1,147 1,148 2,157 2,158 2,159 2,164 1,166 4,169 2,170 9,172 3,173 3,175 3,178 3,180 1,181 1,182 6,185 1,187 5,189 1,191 1,192 2,193 5,195 3,196 6,197 1,198 7,200 2,201 2,204 3,205 1,206 1,210 3,212 5,215 3,218 1,221 3,224 3,225 1,226 4,228 1,229 2,231 2,234 5,237 2,238 1,240 1,241 3,245 1,246 5,250 1,253 1,254 4,259 1,260 5,264 1,265 1,267 1,268 2,270 1,273 1537,274 21.102,275 21.102,276 21.102,277 21.102,278 21.102,279 18.409,280 28.194,281 12.249,282 21.851,283 16.636,284 16.636,285 16.636,286 16.636,287 16.636,288 12.463,289 35.429,290 5.598,291 17.663,292 4.151,293 1.818,294 0.95,295 0.768,296 0.696,297 0.659,298 4.165,301 1,302 1,303 798,304 3.24,306 80.11,307 278.184,311 147.117,314 1.563,315 25.393,318 0.75,319 0.67,320 0.83,321 0.5,323 0.83,324 1,325 0.65,326 68,327 370,328 4.654,329 3.321,330 6.835,331 4.185,332 3.212,333 4.616,334 0.86,335 11.23,336 3.129,337 4.479,338 3.306,339 6.574,340 4.07,341 3.116,342 4.185,343 0.86,344 10.486,345 2.97,346 3.992,347 2.939,348 6.035,349 3.573,350 2.647,351 3.523,352 0.522,353 8.612,354 2.445,355 3.907,356 2.74,357 5.8,358 3.502,359 2.545,360 3.41,362 7.854,363 2.434,364 3.54,365 2.354,366 5.239,367 3.135,368 2.188,369 2.906,371 6.362,372 2.068,373 3.454,374 2.211,375 5.097,376 2.986,377 2.051,378 2.861,380 5.914,381 1.913,382 3.387,383 2.144,384 5.009,385 2.903,386 1.981,387 2.711,389 5.794,390 1.822,391 3.059,392 2.051,393 4.531,394 2.643,395 1.698,396 2.258,398 4.56,399 1.603,400 2.715,401 1.712,402 4.258,403 2.379,404 1.434,405 1.784,407 3.607,408 1.351,409 2.544,410 1.509,411 3.863,412 2.217,413 1.283,414 1.554,415 3.001,416 1.191,417 2.301,418 1.201,419 3.446,420 1.971,421 1.029,422 1.262,423 2.32,424 0.965,425 2.118,426 1.034,427 3.184,428 1.593,429 0.679,430 0.927,431 1.483,432 0.616,433 1.949,434 0.832,435 3,436 1.591,437 0.618,438 0.846,439 1.372,440 0.6,441 1.587,442 0.618,443 2.955,444 1.295,445 0.392,446 0.44,448 0.762,449 0.346,450 1.456,451 0.553,452 2.822,453 1.177,454 0.284,455 0.328,457 0.447,458 0.256,459 14.367,460 0.463,461 0.746,462 0.024,463 43.75,464 1.411,465 22.5,466 0.726,467 21.25,468 0.685,469 24.382,470 0.787,471 33.633,472 0.612,473 34.818,474 1.123,475 8.974,476 0.289,477 6.038,478 0.195,479 0.16,481 0.376,485 1.042,486 1.366,487 0.802,488 1.089,489 1.176,490 0.918,491 1.198,492 0.939,493 0.786,494 0.779,495 0.763,496 0.729,497 0.999,498 1.323,499 0.924,500 1.102,501 0.861,502 1.007,503 0.768,504 1.281,505 1.009,506 1.308,507 0.673,508 1.225,509 1.239,510 1.032,511 1.215,512 1.012,513 1.288,514 1.088,515 1.072,516 0.906,517 1.095,518 0.995,519 0.93,520 1.036,521 1.134,522 0.745,523 1.033,524 0.854,525 0.965,526 0.919,527 0.831,528 0.886,529 0.982,530 1.017,531 0.845,532 1.032,533 6,534 0.276,535 3.778,536 2.653,537 2.293,538 1.08,539 0.561,540 0.378,541 0.386,542 0.289,543 12967,544 36502,545 2.065,546 43.6,547 3,548 12,549 2,550 1,551 6,555 1.737,556 1.918,557 3.5,558 3.275,560 1,564 89.697,565 1.631,566 3.964,567 4.831,568 5.013,569 5.086,570 5.122,571 2.85,572 4.696,573 4.931,574 3.683,575 1712.6,576 8.613,577 24642.3,579 1,582 317.975,583 1.462,584 4.877,585 0.176,586 0.008,587 0.079,588 0.051,589 0.045,590 0.026,591 0.016,592 0.011,593 0.012,594 0.008,595 0.432,596 0.17,597 1,598 0.839,599 161.257,600 -0.109,601 -0.112,602 0.038,603 -0.036,604 -0.227,605 0.026,606 -0.057,607 0.176,608 0.144,609 0.232,610 0.12,611 0.219,612 -0.034,613 -0.171,614 -0.032,615 -0.077,616 -0.045,617 -0.052,618 0.144,619 -0.175,620 -0.098,621 -0.295,622 0.191,623 -0.26,624 -0.147,625 -0.041,626 -0.216,627 -0.081,628 -0.25,629 -0.147,630 -0.071,631 0.034,632 -0.085,633 -0.042,634 -0.046,635 -0.059,636 -0.112,637 0.168,638 -0.018,639 0.128,640 -0.079,641 0.08,642 -0.026,643 0.05,644 -0.012,645 0.019,646 -0.053,647 0.007,648 1.56,649 2.044,650 0.677,651 28.019,652 1.01,653 1.14,654 2.029,655 4.118,656 0.655,657 3.555,658 3.892,659 4.205,660 4.489,661 4.673,662 4.779,663 4.82,664 4.852,665 4.905,666 4.905,667 7.085,668 0.633,669 420.53,670 3.555,671 5.106,672 5.974,673 6.866,674 7.749,675 8.646,676 9.534,677 10.432,678 11.321,679 12.22,680 14.5,682 1,684 2,685 1,688 1,690 3,694 2,695 7,696 3,700 8,701 1,702 22,711 2,716 2,718 55,719 22,720 1,721 34,723 58,724 21,725 17,726 4,727 2,729 4,730 5,734 1,741 17,742 4,754 1,757 24,758 9,759 6,760 10,764 8,768 1,769 0.75,770 2,775 1,776 1,777 1,780 1,781 3,785 1,802 3,806 3,810 31,811 2,816 1,817 2,818 2,829 3.6,834 2,836 16.167,837 10.633,838 6.944,839 2.833,840 4.163,841 1.535,842 1.003,843 6.13,844 11.945,845 3.829,846 4.491,847 5.144,848 5.77,849 6.288,850 6.634,851 6.943,852 7.232,853 7.524,854 7.549,855 0.875,856 52,857 11.337,859 4.712,860 7.731,861 21.407,863 16.976,865 2.231,866 69.167,869 1,870 211.88,871 128.631,872 153.827,874 22,877 128.631,878 233.88,879 153.827,880 30.591,881 2.106,882 139.682,883 80.016,884 59.606,885 27.769,886 176.567,888 211.88,889 282.458,890 22,893 213.595,894 22,897 41.665,898 170.833,899 68.245,901 211.88,902 175.826,903 128.631,906 211.88,907 32.992,908 97.538,909 35.776,910 138.151,911 211.88,912 175.826,913 128.631,915 0.579,916 0.358,917 0.204,918 0.104,919 23,920 11,921 0.121,922 7,923 1,924 1.095,925 4.145,926 282.741,927 0.095,928 21,929 146.825,933 21.178,934 8.973,935 4.228,936 1.182,937 173.927,938 13.361,939 12.578,943 5.285,944 1.983,945 101.571,946 516.337,947 45,956 55.538,957 62.727,958 0.282,959 0.686,960 0.836,961 0.867,962 0.88,963 0.886,964 5.066,965 1.698,966 5.969,967 5.794,968 4.575,969 5.179,970 1.505,971 6.815,972 4.466,973 6.298,974 1.434,975 7.551,976 4.56,977 4.205,978 5.094,980 7.789,981 4.058,982 7.627,983 1.283,984 9.234,985 3.607,986 6.201,987 7.477,988 1.205,989 10.911,990 6.005,991 8.997,992 1.029,993 10.977,994 3.001,995 6.661,996 8.228,998 12.706,999 6.434,1000 10.399,1001 0.679,1002 12.757,1003 2.32,1004 8.116,1005 10.075,1006 0.978,1007 15.353,1008 7.851,1009 11.823,1010 0.618,1011 14.563,1012 1.483,1013 8.953,1014 11.216,1016 17.489,1017 8.659,1018 13.265,1019 0.392,1020 16.388,1021 1.372,1022 10.208,1023 12.855,1024 0.792,1025 19.973,1026 9.881,1027 3.212,1028 0.284,1029 18.227,1030 0.762,1031 11.216,1032 14.187,1034 22.256,1035 10.862,1036 3.116,1037 11.23,1038 20.078,1039 0.447,1040 12.397,1041 15.743,1042 0.636,1043 24.682,1044 12.013,1045 2.647,1046 10.486,1047 21.938,1048 4.616,1049 13.483,1050 17.168,1052 27.028,1053 13.07,1054 2.545,1055 8.612,1056 23.805,1057 4.185,1058 14.639,1059 18.693,1060 0.504,1061 29.434,1062 14.198,1063 2.188,1064 7.854,1065 25.679,1066 3.523,1067 15.759,1068 20.162,1070 31.81,1071 15.29,1072 2.051,1073 6.362,1074 27.557,1075 3.41,1076 16.909,1077 21.677,1078 0.395,1079 34.211,1080 16.411,1081 1.981,1082 5.914,1083 29.441,1084 2.906,1085 18.045,1086 23.169,1088 36.6,1089 17.52,1090 12391,1091 20943,1092 22.482,1093 36.046,1094 50.578,1095 51.048,1096 52.592,1097 50.293,1098 50.314,1099 67.219,1100 4.483,1101 147.606,1102 47.413,1103 5.537,1104 5.321,1105 6.43,1106 5.26,1107 5.212,1108 7.616,1109 1.72,1110 18.464,1111 5.129,1112 16.625,1113 1.488,1114 1.501,1115 1.547,1116 1.479,1117 1.48,1118 1.977,1119 0.132,1120 4.341,1121 1.395,1122 4.083,1123 4.124,1124 4.055,1125 3.964,1126 5.322,1127 3.981,1128 4.023,1129 4.061,1130 3.989,1131 3.905,1132 4.982,1133 3.921,1134 3.766,1135 3.799,1136 3.704,1137 3.646,1138 4.971,1139 3.654,1140 3.571,1141 3.642,1142 3.499,1143 3.368,1144 4.808,1145 3.393,1146 3.328,1147 3.412,1148 3.216,1149 3.038,1150 4.76,1151 3.066,1152 3.244,1153 3.312,1154 3.051,1155 2.96,1156 4.5,1157 2.964,1158 3.186,1159 3.275,1160 3.048,1161 2.947,1162 4.44,1163 2.955,1164 3.131,1165 3.229,1166 2.983,1167 2.84,1168 4.187,1169 2.867,1170 0.137,1171 0.098,1172 0.201,1173 0.123,1174 0.094,1175 4.654,1176 0.136,1177 3.321,1178 0.025,1179 6.835,1180 0.33,1181 4.185,1182 0.092,1183 3.212,1184 4.616,1185 0.86,1186 11.23,1187 3.129,1188 1.995,1189 1.963,1190 2.057,1191 2.132,1192 1.222,1193 2.11,1194 1.901,1195 1.88,1196 1.967,1197 2.038,1198 1.114,1199 2.017,1200 1.493,1201 1.438,1202 1.67,1203 1.745,1204 0.752,1205 1.724,1206 1.48,1207 1.429,1208 1.647,1209 1.651,1210 0.694,1211 1.63,1212 1.391,1213 1.338,1214 1.597,1215 1.593,1216 0.622,1217 1.622,1218 1.231,1219 1.145,1220 1.576,1221 1.549,1222 0.575,1223 1.549,1224 1.185,1225 1.102,1226 1.543,1227 1.516,1228 0.559,1229 1.528,1230 1.139,1231 1.054,1232 1.453,1233 1.408,1234 0.521,1235 1.428,1236 4.234,1238 5.565,1239 2.398,1240 7.098,1241 4.443,1242 8.733,1243 6.293,1244 10.425,1246 5.174,1250 11.715,1252 0.484,1253 6.498,1254 10.906,1262 34.815,1263 89.697,1264 218.005,1265 265.71,1266 275.71,1267 279.71,1268 281.71,1269 45.328,1270 7.783,1271 138.16,1272 138.16,1273 23,1274 12.744,1275 4.524,1276 3.585,1277 49.453,1278 135,1279 125,1280 0.179,1281 215.709,1282 358,1283 518.09,1284 27117,1286 21.957,1287 0.708,1288 0.565,1289 21.957,1290 17.509,1291 15.012,1292 0.442,1293 0.281,1294 9.359,1295 14.202,1296 9.069,1297 7.603,1298 15.012,1299 9.569,1300 13.295,1301 0.277,1302 0.143,1303 13.295,1304 6.867,1305 11.596,1306 0.176,1307 0.076,1308 11.596,1309 5.021,1310 10.125,1311 0.115,1312 0.039,1313 10.125,1314 3.423,1315 7.459,1316 0.07,1317 0.02,1318 7.459,1319 2.078,1320 0.283,1321 95.677,1322 0.211,1323 29.054,1324 0.486,1325 164,1326 497.342,1327 183.44,1328 480.529,1329 669.98,1330 452,1331 196,1332 510.424,1333 216.356,1334 518.733,1335 756.26,1336 484,1337 5.456}
{0 CHEMBL178684,1 1.518,2 11.7,3 1.994,4 3.977,5 122.768,6 6.597,7 0.375,8 4.221,9 4.358,10 3.672,11 3.647,12 5.262,13 3.626,14 4.792,15 4.998,16 3.98,17 4.042,18 5.735,19 3.993,20 4.942,21 5.138,22 4.115,23 4.274,24 5.835,25 4.189,26 5.22,27 5.472,28 4.166,29 4.366,30 6.065,31 4.252,32 5.271,33 5.515,34 4.143,35 4.373,36 6.146,37 4.255,38 5.289,39 5.547,40 4.029,41 4.365,42 6.115,43 4.209,44 5.338,45 5.634,46 3.906,47 4.275,48 6.068,49 4.114,50 5.118,51 5.382,52 3.786,53 4.167,54 5.936,55 4.012,56 0.048,57 0.899,58 15.303,59 5.493,60 14.151,61 8.065,62 0.502,63 1.364,64 28.567,65 9.156,66 40.785,67 13.234,68 0.149,69 1.731,70 31.693,71 11.454,72 21.911,73 17.266,74 0.355,75 1.955,76 42.96,77 14.091,78 46.092,79 21.645,80 0.832,81 1.97,82 46.256,83 13.921,84 60.653,85 21.561,86 0.648,87 1.945,88 46.565,89 15.248,90 58.789,91 23.013,92 0.754,93 1.79,94 50.004,95 14.614,96 64.659,97 22.594,98 0.527,99 1.601,100 39.538,101 12.232,102 53.331,103 18.715,104 55,105 44,106 0.247,107 0.537,108 0.742,109 0.77,110 0.791,111 0.798,112 3.44,113 0.956,114 -3.36,115 -3.35,116 -3.2,119 34.9,121 3,122 1,124 4,125 4,139 2,140 4,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 9,172 3,173 3,175 1,178 8,180 1,182 13,187 1,189 4,191 1,193 10,195 1,196 1,197 1,198 4,200 2,201 2,204 4,205 1,206 4,207 3,212 3,215 6,218 3,220 4,223 1,224 1,226 1,229 9,231 1,234 2,241 6,246 9,248 1,249 1,251 2,254 2,256 2,260 10,265 2,270 2,273 1464,274 20.265,275 20.265,276 20.265,277 20.265,278 20.265,279 18.736,280 31.326,281 12.209,282 21.074,283 15.711,284 15.711,285 15.711,286 15.711,287 15.711,288 13.23,289 41.952,290 5.557,291 16.727,292 4.459,293 2.677,294 1.414,295 1.243,296 1.112,297 1.068,298 4.121,301 1,302 1,303 731,304 3.808,307 278.169,311 147.038,314 1.673,315 25.919,318 1,319 1,320 0.83,321 1,322 1,323 1,324 1,325 0.98,326 65.5,327 351,328 4.447,329 3.363,330 6.558,331 4.093,332 3.112,333 4.121,334 1.151,335 10.421,336 3.06,337 4.416,338 3.27,339 6.502,340 4.045,341 3.072,342 4.091,343 1.151,344 10.178,345 2.99,346 3.825,347 2.953,348 5.989,349 3.612,350 2.664,351 3.075,352 1.151,353 8.468,354 2.524,355 3.541,356 2.606,357 5.295,358 3.271,359 2.311,360 2.829,361 0.8,362 6.792,363 2.22,364 3.383,365 2.425,366 5.223,367 3.085,368 2.115,369 2.626,371 6.311,372 2.051,373 3.325,374 2.285,375 5.062,376 2.969,377 2.032,378 2.563,380 5.803,381 1.896,382 3.198,383 2.221,384 4.973,385 2.9,386 1.948,387 2.29,389 5.759,390 1.849,391 2.588,392 2.102,393 4.259,394 2.421,395 1.524,396 1.593,398 3.782,399 1.362,400 2.356,401 1.845,402 3.807,403 2.149,404 1.243,405 1.346,407 2.855,408 1.117,409 2.113,410 1.61,411 3.707,412 1.979,413 1.017,414 1.084,415 2.565,416 0.977,417 2.094,418 1.415,419 3.153,420 1.854,421 1,422 1.074,423 1.714,424 0.845,425 2.083,426 1.294,427 3.104,428 1.849,429 1,430 1.06,431 1.682,432 0.841,433 1.383,434 0.882,435 2.923,436 1.18,437 0.254,438 0.273,439 0.517,440 0.233,441 1.281,442 0.333,443 2.682,444 1.067,445 0.133,446 0.145,448 0.274,449 0.124,450 1,451 0.224,452 2.567,453 0.69,454 -0.254,455 -0.299,457 -0.478,458 -0.236,459 14,460 0.467,461 0.712,462 0.024,463 33.25,464 1.108,465 13.5,466 0.45,467 19.75,468 0.658,469 30.964,470 1.032,471 35.2,472 0.559,473 26.732,474 0.891,475 6.762,476 0.225,477 7.698,478 0.257,479 0.2,481 0.35,485 0.988,486 1.546,487 0.93,488 1.335,489 1.113,490 1.142,491 1.464,492 0.788,493 0.97,494 0.734,495 0.929,496 0.785,497 0.699,498 1.413,499 1.043,500 1.337,501 0.723,502 1.249,503 0.748,504 1.17,505 0.93,506 1.168,507 0.723,508 1.087,509 1.036,510 1.043,511 1.12,512 1.072,513 1.113,514 1.101,515 0.817,516 1.066,517 1.112,518 1.23,519 0.898,520 1.222,521 1.259,522 0.791,523 0.948,524 0.799,525 0.866,526 0.835,527 1.168,528 1.015,529 1.172,530 1.098,531 1.109,532 1.138,533 6.5,534 0.223,535 3.333,536 2.313,537 2.462,538 1.104,539 0.912,540 0.451,541 0.234,542 0.278,543 10876,544 27468,545 1.993,546 52.4,547 4,548 22,551 4,552 2,553 1,555 1.731,556 1.837,557 3.492,558 1.631,560 1,564 95.632,565 1.518,566 3.3,567 4.564,568 4.734,569 4.866,570 4.909,571 2.911,572 4.374,573 4.879,574 3.653,575 1588.96,576 8.523,577 22092,579 1,582 376.569,583 1.506,584 4.82,585 0.203,586 0.008,587 0.076,588 0.047,589 0.05,590 0.024,591 0.023,592 0.013,593 0.008,594 0.01,595 0.462,596 0.17,597 1,598 1.292,599 153.988,600 -0.056,601 -0.187,602 0.053,603 -0.103,604 -0.095,605 -0.014,606 -0.145,607 0.331,608 0.063,609 0.33,610 0.05,611 0.231,612 -0.055,613 -0.168,614 -0.105,615 -0.165,616 -0.044,617 -0.143,618 0.026,619 -0.113,620 0.024,621 -0.115,622 0.065,623 -0.054,624 0.037,625 -0.002,626 -0.124,627 -0.06,628 -0.108,629 -0.107,630 0.063,631 -0.057,632 -0.149,633 -0.2,634 -0.043,635 -0.207,636 -0.127,637 0.05,638 0.047,639 0.139,640 -0.017,641 0.119,642 -0.151,643 -0.039,644 -0.19,645 -0.098,646 -0.161,647 -0.146,648 1.408,649 2.113,650 0.533,651 29.387,652 0.998,653 1.142,654 2.133,655 4.549,656 0.62,657 3.497,658 3.807,659 4.078,660 4.369,661 4.615,662 4.673,663 4.745,664 4.754,665 4.828,666 4.82,667 6.852,668 0.581,669 415.6,670 3.497,671 5.03,672 5.878,673 6.763,674 7.635,675 8.526,676 9.406,677 10.297,678 11.181,679 12.072,680 7.9,684 2,686 1,690 2,695 2,696 2,700 8,702 12,711 2,714 1,718 63,719 12,720 1,721 32,723 65,724 22,725 10,726 4,727 2,729 3,730 4,736 3,737 1,739 3,741 10,742 12,743 1,754 1,757 33,758 8,759 4,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,801 3,802 2,806 4,810 30,811 2,816 7,818 3,820 1,821 1,829 4.8,833 3,836 16.333,837 12.267,838 6.889,839 3.425,840 2.254,841 1.301,842 0.94,843 7.889,844 9.756,845 3.664,846 4.22,847 4.758,848 5.305,849 5.799,850 5.96,851 6.08,852 6.173,853 6.351,854 6.466,855 0.875,856 49,857 11.069,859 4.483,860 7.622,861 21.486,863 17.173,865 2.122,866 63.667,870 341.362,871 105.967,872 102.49,874 33,877 105.967,878 374.362,879 102.49,880 41.046,881 23.486,882 84.747,883 66.571,884 21.38,885 4.227,886 341.362,888 341.362,889 208.457,890 33,893 329.591,894 11.771,895 33,897 28.142,898 146.744,899 33.571,901 341.362,902 135.489,903 105.967,906 341.362,907 45.969,908 63.122,910 132.365,911 341.362,912 135.489,913 105.967,915 0.565,916 0.336,917 0.201,918 0.12,919 19,920 10,921 0.138,922 9,923 1,924 1.125,925 3.975,926 262.413,927 0.125,928 16,929 132.452,933 22.756,934 10.4,935 5.423,937 135.489,938 4.373,939 8.512,943 7.328,945 65.794,946 582.819,947 38,956 62.861,957 71.933,958 0.254,959 0.552,960 0.763,961 0.792,962 0.814,963 0.821,964 4.913,965 1.524,966 5.866,967 5.759,968 4.489,969 4.905,970 2.293,971 6.691,972 4.392,973 6.099,974 1.243,975 7.433,976 3.782,977 4.111,978 4.796,979 0.325,980 7.6,981 4.015,982 7.406,983 1.017,984 9.099,985 2.855,986 6.089,987 7.061,988 2.484,989 10.711,990 5.941,991 8.748,992 1,993 10.822,994 2.565,995 6.509,996 7.747,997 0.268,998 12.419,999 6.361,1000 10.123,1001 1,1002 12.581,1003 1.714,1004 7.971,1005 9.536,1006 2.722,1007 15.044,1008 7.786,1009 11.521,1010 0.254,1011 14.364,1012 1.682,1013 8.766,1014 10.586,1015 0.188,1016 17.098,1017 8.575,1018 12.936,1019 0.133,1020 16.164,1021 0.517,1022 10.02,1023 12.18,1024 2.977,1025 19.543,1026 9.801,1027 3.112,1028 -0.254,1029 17.977,1030 0.274,1031 10.993,1032 13.41,1033 0.125,1034 21.751,1035 10.762,1036 3.072,1037 10.421,1038 19.801,1039 -0.478,1040 12.164,1041 14.914,1042 3.241,1043 24.126,1044 11.91,1045 2.664,1046 10.178,1047 21.633,1048 4.121,1049 13.218,1050 16.233,1051 0.082,1052 26.402,1053 12.95,1054 2.311,1055 8.468,1056 23.473,1057 4.091,1058 14.357,1059 17.693,1060 3.51,1061 28.749,1062 14.069,1063 2.115,1064 6.792,1065 25.317,1066 3.075,1067 15.45,1068 19.058,1069 0.054,1070 31.055,1071 15.144,1072 2.032,1073 6.311,1074 27.167,1075 2.829,1076 16.578,1077 20.495,1078 3.783,1079 33.393,1080 16.253,1081 1.948,1082 5.803,1083 29.02,1084 2.626,1085 17.688,1086 21.883,1087 0.035,1088 35.713,1089 17.345,1090 10820,1091 17271,1092 20.69,1093 39.052,1094 46.816,1095 47.971,1096 49.611,1097 46.787,1098 46.849,1099 56.341,1100 8.505,1101 134.241,1102 44.179,1103 5.392,1104 5.363,1105 6.329,1106 5.165,1107 5.112,1108 7.121,1109 2.302,1110 17.365,1111 5.06,1112 17.869,1113 1.463,1114 1.499,1115 1.55,1116 1.462,1117 1.464,1118 1.761,1119 0.266,1120 4.195,1121 1.381,1122 4.036,1123 4.076,1124 3.978,1125 3.944,1126 5.282,1127 3.947,1128 3.95,1129 3.983,1130 3.902,1131 3.852,1132 4.978,1133 3.857,1134 3.617,1135 3.687,1136 3.516,1137 3.421,1138 4.822,1139 3.438,1140 3.446,1141 3.488,1142 3.299,1143 3.198,1144 4.614,1145 3.212,1146 3.418,1147 3.488,1148 3.284,1149 3.193,1150 4.59,1151 3.206,1152 3.361,1153 3.418,1154 3.183,1155 3.054,1156 4.483,1157 3.07,1158 3.232,1159 3.31,1160 3.039,1161 2.989,1162 4.44,1163 2.987,1164 3.157,1165 3.26,1166 3.007,1167 2.923,1168 4.118,1169 2.924,1170 0.139,1171 0.105,1172 0.205,1173 0.128,1174 0.097,1175 4.447,1176 0.129,1177 3.363,1178 0.036,1179 6.558,1180 0.326,1181 4.093,1182 0.096,1183 3.112,1184 4.121,1185 1.151,1186 10.421,1187 3.06,1188 1.977,1189 1.949,1190 2.101,1191 2.102,1192 1.457,1193 2.102,1194 1.925,1195 1.891,1196 2.036,1197 2.041,1198 1.281,1199 2.038,1200 1.556,1201 1.492,1202 1.737,1203 1.792,1204 0.921,1205 1.781,1206 1.371,1207 1.324,1208 1.666,1209 1.671,1210 0.778,1211 1.667,1212 1.362,1213 1.293,1214 1.631,1215 1.637,1216 0.751,1217 1.637,1218 1.281,1219 1.214,1220 1.604,1221 1.611,1222 0.687,1223 1.614,1224 1.197,1225 1.117,1226 1.559,1227 1.483,1228 0.646,1229 1.512,1230 1.131,1231 1.041,1232 1.467,1233 1.411,1234 0.576,1235 1.42,1236 4.174,1238 5.485,1240 7,1242 8.622,1244 10.301,1246 7.247,1250 11.859,1252 5.289,1254 16.303,1256 0.465,1257 2.291,1262 36.627,1263 95.632,1264 207.922,1265 287.51,1266 298.265,1267 306.53,1268 309.284,1269 55.326,1270 7.502,1271 108.75,1272 108.75,1273 18,1274 12.601,1275 3.7,1276 2.807,1277 55.232,1278 124,1279 122,1280 0.219,1281 228.018,1282 395.81,1283 548.123,1284 17880,1286 21.673,1287 0.722,1288 0.613,1289 21.673,1290 18.403,1291 14.46,1292 0.452,1293 0.319,1294 9.972,1295 13.668,1296 9.559,1297 8.017,1298 14.46,1299 10.197,1300 12.651,1301 0.288,1302 0.18,1303 12.651,1304 7.923,1305 10.24,1306 0.177,1307 0.098,1308 10.24,1309 5.705,1310 8.987,1311 0.115,1312 0.055,1313 8.987,1314 4.277,1315 7.389,1316 0.074,1317 0.031,1318 7.389,1319 3.143,1320 0.343,1321 92.436,1322 0.22,1323 28.2,1324 0.602,1325 152,1326 436.766,1327 167.107,1328 412.533,1329 554.04,1330 388,1331 178,1332 384.971,1333 193.303,1334 402.836,1335 580.4,1336 367,1337 5.788}
{0 CHEMBL17873,1 1.752,2 9.333,3 2.692,4 7.247,5 87.838,6 9.794,7 0.696,8 3.646,9 3.78,10 3.423,11 3.196,12 4.878,13 3.2,14 4.095,15 4.246,16 3.843,17 3.598,18 5.353,19 3.572,20 4.302,21 4.478,22 4,23 3.693,24 5.505,25 3.635,26 4.307,27 4.512,28 3.711,29 3.565,30 5.501,31 3.486,32 4.3,33 4.564,34 3.378,35 3.422,36 5.374,37 3.312,38 4.11,39 4.369,40 3.291,41 3.341,42 5.059,43 3.217,44 3.884,45 4.083,46 3.393,47 3.242,48 5.053,49 3.163,50 3.863,51 4.086,52 3.454,53 3.136,54 5.069,55 3.063,56 0.13,57 0.545,58 4.16,59 2.178,60 13.445,61 2.43,62 0.238,63 0.807,64 7.924,65 4.142,66 19.739,67 5.046,68 0.354,69 0.885,70 18.125,71 5.277,72 29.788,73 6.149,74 0.4,75 0.868,76 15.961,77 5.472,78 34.458,79 6.885,80 0.503,81 0.793,82 18.321,83 4.936,84 48.531,85 6.174,86 0.313,87 0.627,88 19.029,89 5.39,90 31.983,91 7.161,92 0.221,93 0.549,94 11.447,95 3.804,96 20.229,97 4.724,98 0.281,99 0.483,100 12.069,101 3.321,102 25.108,103 3.975,104 17,105 33,106 0.323,107 0.716,108 0.825,109 0.885,110 0.896,111 0.896,112 3.103,113 0.897,114 -4.24,115 -4.18,116 -3.95,119 39.4,125 1,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 2,169 1,170 2,172 3,173 4,175 6,178 3,180 1,182 2,187 3,189 5,191 1,195 1,196 2,197 4,198 2,200 4,201 3,204 1,205 1,210 2,211 1,212 2,214 1,215 3,218 1,226 2,229 2,234 4,238 1,239 3,240 1,241 2,243 2,246 2,251 2,254 1,256 1,260 2,265 4,270 3,273 527,274 13.878,275 13.878,276 13.878,277 13.878,278 13.878,279 11.822,280 18.204,281 7.979,282 14.404,283 11.322,284 11.322,285 11.322,286 11.322,287 11.322,288 8.261,289 27.438,290 3.784,291 12.322,292 3.292,293 1.16,294 0.568,295 0.242,296 0.182,297 0.182,298 3.779,299 2,300 1,301 1,302 1,303 420,304 2.449,306 43.624,307 119.386,310 81.818,314 1.302,315 20.906,317 1,318 0.75,319 0.83,320 0.83,321 0.5,323 0.83,324 1,325 0.68,326 45.667,327 196,328 4.638,329 3.319,330 6.78,331 4.155,332 3.188,333 4.608,334 0.657,335 11.107,336 3.084,337 4.214,338 3.265,339 5.951,340 3.731,341 2.828,342 3.869,344 8.323,345 2.54,346 3.715,347 2.62,348 5.332,349 3.284,350 2.361,351 3.157,353 6.764,354 2.17,355 3.51,356 2.4,357 5.182,358 3.089,359 2.183,360 2.825,362 6.346,363 1.88,364 3.405,365 2.134,366 5.063,367 2.899,368 1.98,369 2.781,371 5.79,372 1.818,373 3.045,374 2.066,375 4.753,376 2.661,377 1.709,378 2.22,380 4.954,381 1.614,382 2.82,383 1.918,384 4.043,385 2.306,386 1.414,387 1.949,389 3.525,390 1.199,391 2.307,392 1.014,393 3.589,394 1.797,395 0.87,396 1.226,398 2.128,399 0.803,400 1.875,401 0.845,402 3.267,403 1.571,404 0.655,405 0.776,407 1.609,408 0.586,409 1.348,410 0.628,411 2.696,412 0.898,413 0.108,414 0.128,415 0.24,416 0.069,417 1.095,418 0.04,419 2.574,420 0.639,421 -0.255,422 -0.324,423 -0.673,424 -0.223,425 0.858,426 -0.157,427 2.375,428 0.429,429 -0.467,430 -0.581,431 -1.188,432 -0.391,433 0.718,434 -0.301,435 2.237,436 0.268,437 -0.615,438 -0.751,439 -1.565,440 -0.477,441 0.345,442 -0.521,443 2,444 0.025,445 -0.883,446 -1.082,448 -2.321,449 -0.721,450 0.093,451 -0.92,452 1.88,453 -0.314,454 -1.192,455 -1.482,457 -3.058,458 -1.003,459 10.329,460 0.492,461 0.63,462 0.03,463 30,464 1.429,465 15.5,466 0.738,467 14.5,468 0.69,469 14.321,470 0.682,471 22.071,472 0.669,473 19.568,474 0.932,475 5.939,476 0.283,477 4.103,478 0.195,479 0.216,481 0.387,485 1.016,486 1.221,487 0.545,488 0.638,489 1.114,490 0.644,491 0.621,492 0.975,493 0.568,494 0.769,495 0.467,496 0.79,497 1.049,498 1.323,499 0.848,500 1.012,501 0.9,502 1.014,503 0.752,504 1.131,505 0.924,506 1.234,507 0.73,508 1.254,509 1.102,510 0.634,511 0.896,512 0.81,513 1.27,514 1.031,515 0.822,516 0.824,517 0.844,518 0.873,519 0.83,520 0.891,521 0.954,522 1.112,523 0.943,524 1.018,525 0.892,526 1.01,527 1.276,528 1.017,529 1.003,530 0.791,531 1.276,532 0.829,533 5,534 0.062,535 2.667,536 1.785,537 1.303,538 0.427,539 0.375,540 0.234,541 0.263,542 0.173,543 4402,544 16567,545 2.045,546 36.4,548 5,549 1,551 6,555 1.628,556 1.881,557 3.184,558 3.823,560 1,562 1,564 57.83,565 1.752,566 3.885,567 4.476,568 4.802,569 4.863,570 4.863,571 2.643,572 4.202,573 4.367,574 3.307,575 694.446,576 7.462,577 7372.71,578 1,579 1,580 1,581 1,582 166.465,583 1.51,584 4.305,585 0.217,586 0.009,587 0.081,588 0.056,589 0.05,590 0.024,591 0.021,592 0.012,593 0.015,594 0.013,595 0.499,596 0.17,597 1,598 0.665,599 95.067,600 -0.278,602 -0.03,603 0.158,604 -0.335,605 0.129,606 0.135,607 0.168,608 0.063,609 0.096,610 0.2,611 0.062,612 -0.128,613 -0.29,614 0.038,615 -0.082,616 -0.067,617 -0.105,618 0.13,619 -0.123,620 -0.123,621 -0.323,622 0.123,623 -0.323,624 -0.182,625 0.334,626 -0.13,627 0.087,628 -0.281,629 -0.066,630 -0.016,631 0.019,632 0.074,633 0.169,634 -0.023,635 0.231,636 -0.08,637 -0.143,638 -0.039,639 -0.043,640 -0.01,641 -0.026,642 -0.192,643 -0.071,644 0.062,645 0.183,646 -0.192,647 0.14,648 1.522,649 1.898,650 0.714,651 14.671,652 1.024,653 1.138,654 3.009,655 9.052,656 0.721,657 3.178,658 3.526,659 3.784,660 4.043,661 4.19,662 4.22,663 4.22,664 4.304,665 4.344,666 4.357,667 5.449,668 0.694,669 323.21,670 3.178,671 4.727,672 5.58,673 6.466,674 7.334,675 8.223,676 9.096,677 9.987,678 10.865,679 11.757,680 18.2,684 2,685 1,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,712 1,717 2,718 33,719 16,720 1,721 23,723 35,724 13,725 12,726 3,727 3,729 3,730 4,731 2,741 12,742 1,753 1,754 1,757 12,758 5,759 6,760 8,761 2,764 6,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,807 2,810 21,811 2,816 1,817 1,828 2,836 11.167,837 5.686,838 4.528,839 1.674,840 3.104,841 1.455,842 1.041,843 3.904,844 9.923,845 3.466,846 4.155,847 4.776,848 5.389,849 5.862,850 6.114,851 6.361,852 6.719,853 6.838,854 7.064,855 1,856 32,857 7.65,859 3.255,860 7.884,861 14.248,863 11.542,865 2.384,866 50.056,870 70.627,871 61.041,872 134.162,873 78.297,877 61.041,878 148.924,879 134.162,881 2.106,882 103.271,883 53.297,884 32.302,885 15.998,886 58.856,887 78.297,888 70.627,889 195.202,891 78.297,893 70.627,897 22.506,898 121.115,899 129.879,901 70.627,902 134.162,903 139.338,906 70.627,907 23.565,908 37.476,909 34.796,910 177.663,911 70.627,912 134.162,913 139.338,915 0.594,916 0.347,917 0.183,918 0.094,919 17,920 8,921 0.086,922 3,923 1,924 1.133,925 3.327,926 160.526,927 0.133,928 15,929 92.239,933 14.407,934 5.69,935 2.912,936 1.377,937 117.376,938 7.163,939 8.076,940 3.028,943 3.302,945 100.591,946 344.126,947 31,956 33.793,957 37.539,958 0.347,959 0.77,960 0.887,961 0.952,962 0.964,963 0.964,964 4.7,965 0.87,966 5.587,967 3.525,968 4.205,969 4.84,970 0.623,971 6.409,972 4.046,973 5.948,974 0.655,975 7.159,976 2.128,977 3.892,978 4.808,980 7.326,981 3.619,982 7.281,983 0.108,984 8.826,985 1.609,986 5.814,987 7.155,988 0.317,989 10.422,990 5.543,991 8.65,992 -0.255,993 10.548,994 0.24,995 6.275,996 7.927,998 12.183,999 5.916,1000 10.048,1001 -0.467,1002 12.306,1003 -0.673,1004 7.708,1005 9.776,1006 0.149,1007 14.818,1008 7.349,1009 11.469,1010 -0.615,1011 14.092,1012 -1.188,1013 8.531,1014 10.936,1016 16.955,1017 8.115,1018 12.908,1019 -0.883,1020 15.898,1021 -1.565,1022 9.777,1023 12.585,1024 0.067,1025 19.435,1026 9.349,1027 3.188,1028 -1.192,1029 17.721,1030 -2.321,1031 10.771,1032 13.935,1034 21.732,1035 10.306,1036 2.828,1037 11.107,1038 19.559,1039 -3.058,1040 11.946,1041 15.502,1042 0.03,1043 24.159,1044 11.463,1045 2.361,1046 8.323,1047 21.409,1048 4.608,1049 13.02,1050 16.942,1052 26.521,1053 12.509,1054 2.183,1055 6.764,1056 23.269,1057 3.869,1058 14.17,1059 18.477,1060 0.013,1061 28.933,1062 13.638,1063 1.98,1064 6.346,1065 25.138,1066 3.157,1067 15.282,1068 19.96,1070 31.321,1071 14.724,1072 1.709,1073 5.79,1074 27.014,1075 2.825,1076 16.426,1077 21.484,1078 0.006,1079 33.728,1080 15.846,1081 1.414,1082 4.954,1083 28.896,1084 2.781,1085 17.556,1086 22.987,1088 36.127,1089 16.951,1090 4311,1091 8470,1092 15.027,1093 23.796,1094 34.8,1095 35.723,1096 36.267,1097 34.71,1098 34.595,1099 47.079,1100 1.315,1101 101.573,1102 31.524,1103 5.474,1104 5.319,1105 6.158,1106 5.227,1107 5.188,1108 7.608,1109 1.315,1110 17.998,1111 5.084,1112 11.36,1113 1.513,1114 1.553,1115 1.577,1116 1.509,1117 1.504,1118 2.047,1119 0.057,1120 4.416,1121 1.371,1122 4.11,1123 4.157,1124 4.126,1125 3.974,1126 5.322,1127 3.995,1128 3.9,1129 3.922,1130 4.063,1131 3.845,1132 5.046,1133 3.838,1134 3.457,1135 3.538,1136 3.447,1137 3.225,1138 4.981,1139 3.255,1140 3.219,1141 3.312,1142 3.397,1143 2.971,1144 4.772,1145 2.99,1146 3.08,1147 3.202,1148 3.299,1149 2.794,1150 4.492,1151 2.805,1152 2.878,1153 2.922,1154 3,1155 2.766,1156 4.371,1157 2.763,1158 2.776,1159 2.826,1160 2.85,1161 2.626,1162 4.099,1163 2.616,1164 2.53,1165 2.674,1166 2.475,1167 2.21,1168 3.859,1169 2.219,1170 0.202,1171 0.144,1172 0.295,1173 0.181,1174 0.139,1175 4.638,1176 0.2,1177 3.319,1178 0.029,1179 6.78,1180 0.483,1181 4.155,1182 0.134,1183 3.188,1184 4.608,1185 0.657,1186 11.107,1187 3.084,1188 1.89,1189 1.868,1190 1.958,1191 2.019,1192 1.12,1193 1.998,1194 1.814,1195 1.781,1196 1.855,1197 1.958,1198 1.004,1199 1.946,1200 1.548,1201 1.485,1202 1.697,1203 1.75,1204 0.729,1205 1.746,1206 1.123,1207 1.034,1208 1.357,1209 1.449,1210 0.372,1211 1.434,1212 0.982,1213 0.891,1214 1.263,1215 1.363,1216 0.171,1217 1.348,1218 0.868,1219 0.824,1220 1.113,1221 1.117,1222 0.021,1223 1.12,1224 0.826,1225 0.741,1226 1.047,1227 1.01,1229 1.051,1230 0.598,1231 0.507,1232 0.831,1233 0.822,1235 0.859,1236 3.85,1238 5.187,1239 2.398,1240 6.711,1241 4.727,1242 8.324,1243 6.843,1244 9.986,1247 11.865,1250 11.463,1252 0.537,1253 3.244,1262 22.891,1263 57.83,1264 128.2,1265 147.71,1266 158.465,1267 160.465,1268 160.465,1269 28.656,1270 6.819,1271 105.64,1272 105.64,1273 17,1274 12.287,1275 4.087,1276 3.17,1277 32.334,1278 69,1279 63,1280 0.234,1281 150.23,1282 241.62,1283 358.322,1284 7672,1285 6.1,1286 14.983,1287 0.713,1288 0.587,1289 15.983,1290 12.333,1291 10.042,1292 0.437,1293 0.299,1294 6.095,1295 9.14,1296 5.923,1297 4.882,1298 10.619,1299 6.878,1300 9.44,1301 0.286,1302 0.161,1303 10.181,1304 5.301,1305 7.786,1306 0.181,1307 0.088,1308 8.7,1309 3.8,1310 6.515,1311 0.116,1312 0.043,1313 6.916,1314 2.386,1315 4.832,1316 0.074,1317 0.023,1318 5.212,1319 1.497,1320 0.365,1321 68.903,1322 0.258,1323 20.802,1324 0.644,1325 112,1326 336.987,1327 152.919,1328 395.709,1329 524.86,1330 366,1331 132,1332 349.711,1333 168.722,1334 375.516,1335 549.92,1336 353,1337 4.842}
{0 CHEMBL178888,1 1.543,2 12.467,3 2.96,4 8.762,5 119.561,6 7.576,7 0.697,8 4.08,9 4.218,10 3.656,11 3.596,12 5.258,13 3.591,14 4.549,15 4.725,16 3.996,17 3.966,18 5.68,19 3.941,20 4.738,21 4.921,22 4.101,23 4.114,24 5.814,25 4.073,26 4.869,27 5.076,28 4.063,29 4.129,30 5.974,31 4.054,32 4.959,33 5.222,34 3.876,35 4.076,36 5.931,37 3.973,38 4.856,39 5.134,40 3.748,41 3.947,42 5.769,43 3.833,44 4.685,45 4.934,46 3.722,47 3.858,48 5.644,49 3.767,50 4.665,51 4.907,52 3.708,53 3.868,54 5.632,55 3.775,56 0.089,57 0.846,58 10.698,59 4.161,60 13.41,61 5.59,62 0.272,63 1.27,64 18.84,65 7.129,66 27.768,67 9.615,68 0.199,69 1.515,70 22.681,71 8.248,72 20.465,73 11.636,74 0.367,75 1.652,76 27.058,77 9.646,78 42.465,79 13.682,80 0.442,81 1.677,82 32.508,83 9.259,84 54.164,85 14.123,86 0.425,87 1.435,88 30.407,89 9.377,90 46.198,91 13.984,92 0.321,93 1.241,94 24.56,95 8.204,96 36.036,97 11.766,98 0.329,99 1.206,100 23.966,101 8.224,102 35.921,103 11.681,104 18,105 46,106 0.254,107 0.623,108 0.772,109 0.852,110 0.87,111 0.87,112 3.44,113 0.86,114 -4.88,115 -4.78,116 -4.49,119 41.5,120 1,124 1,125 1,139 8,140 5,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,164 1,166 13,169 2,170 5,172 3,173 3,175 3,178 15,180 1,182 5,185 1,187 6,189 11,191 1,192 1,193 6,195 3,196 5,197 1,198 10,200 2,201 7,204 3,205 1,207 1,210 1,212 7,215 5,218 1,221 3,224 2,225 1,226 6,228 1,229 4,231 2,234 4,237 2,238 1,239 3,240 1,241 6,245 1,246 5,250 1,251 1,253 1,254 8,260 4,264 1,265 1,267 1,268 8,270 1,273 1416,274 20.438,275 20.438,276 20.438,277 20.438,278 20.438,279 17.617,280 19.226,281 12.01,282 20.909,283 16.215,284 16.215,285 16.215,286 16.215,287 16.215,288 11.974,289 23.699,290 5.59,291 16.884,292 4.185,293 1.94,294 1.038,295 0.548,296 0.444,297 0.444,298 4.137,301 1,302 1,303 813,304 3,307 365.302,311 140.228,314 1.667,315 21.946,318 0.75,319 0.83,320 0.83,321 0.5,323 0.83,324 1,325 0.68,326 64.5,327 374,328 4.654,329 3.312,330 6.835,331 4.184,332 3.212,333 4.616,334 0.86,335 11.23,336 3.129,337 4.35,338 3.135,339 6.28,340 3.964,341 2.982,342 4.024,343 0.522,344 9.533,345 2.932,346 3.981,347 2.75,348 5.978,349 3.607,350 2.635,351 3.505,353 8.477,354 2.552,355 3.904,356 2.73,357 5.799,358 3.497,359 2.54,360 3.409,362 7.852,363 2.431,364 3.454,365 2.229,366 5.097,367 2.995,368 2.06,369 2.861,371 5.917,372 1.919,373 3.39,374 2.064,375 5.009,376 2.906,377 1.985,378 2.713,380 5.795,381 1.824,382 3.276,383 2.015,384 4.518,385 2.808,386 1.816,387 2.615,389 4.597,390 1.799,391 2.951,392 1.827,393 4.369,394 2.629,395 1.686,396 2.085,398 4.284,399 1.585,400 2.71,401 1.653,402 4.246,403 2.327,404 1.374,405 1.781,407 3.566,408 1.307,409 2.645,410 1.269,411 3.515,412 2.167,413 1.179,414 1.712,415 2.714,416 1.163,417 2.5,418 1.171,419 3.485,420 2.032,421 1.071,422 1.5,423 2.453,424 1.026,425 2.304,426 1,427 3.247,428 2,429 1,430 1.276,431 2.136,432 1,433 1.795,434 0.956,435 3.06,436 1.493,437 0.592,438 0.69,439 1.129,440 0.527,441 1.54,442 0.539,443 2.844,444 1.235,445 0.294,446 0.349,448 0.625,449 0.276,450 1.2,451 0.132,452 2.817,453 0.839,454 -0.105,455 -0.131,457 -0.272,458 -0.099,459 14.133,460 0.471,461 0.695,462 0.023,463 43.5,464 1.45,465 24,466 0.8,467 19.5,468 0.65,469 22.28,470 0.743,471 31.467,472 0.594,473 33.105,474 1.103,475 8.817,476 0.294,477 5.745,478 0.192,479 0.127,481 0.354,485 1.038,486 1.137,487 0.818,488 0.941,489 1.216,490 0.854,491 0.98,492 0.891,493 0.797,494 0.851,495 0.669,496 0.817,497 0.967,498 1.272,499 0.928,500 1.102,501 0.839,502 1.022,503 0.852,504 1.246,505 1.078,506 1.274,507 0.719,508 1.23,509 1.256,510 1.005,511 1.213,512 0.998,513 1.312,514 1.067,515 1.058,516 0.826,517 1.004,518 0.9,519 0.921,520 0.935,521 1.071,522 0.867,523 0.976,524 0.969,525 0.888,526 0.965,527 1.104,528 0.853,529 0.984,530 0.948,531 0.923,532 0.957,533 5.5,534 0.19,535 3.556,536 2.375,537 1.853,538 0.951,539 0.526,540 0.29,541 0.337,542 0.269,543 12551,544 33188,545 2.087,546 43.4,547 3,548 13,550 1,551 6,555 1.727,556 1.957,557 3.583,558 3.257,560 1,564 81.779,565 1.543,566 3.788,567 4.69,568 5.18,569 5.284,570 5.284,571 2.991,572 4.215,573 4.883,574 3.74,575 1626.83,576 8.504,577 23114.1,579 1,582 303.58,583 1.4,584 4.839,585 0.167,586 0.007,587 0.077,588 0.047,589 0.041,590 0.026,591 0.016,592 0.009,593 0.011,594 0.009,595 0.41,597 1,598 0.715,599 155.487,600 -0.09,601 0.065,602 0.025,603 0.07,604 -0.246,605 0.07,606 0.08,607 0.211,608 0.109,609 0.158,610 0.164,611 0.134,612 -0.036,613 -0.18,614 -0.028,615 -0.097,616 -0.04,617 -0.066,618 0.141,619 -0.201,620 -0.141,621 -0.291,622 0.183,623 -0.274,624 -0.228,625 -0.005,626 -0.208,627 -0.076,628 -0.282,629 -0.122,630 -0.028,631 0.095,632 0.026,633 0.061,634 -0.009,635 0.055,636 0.007,637 0.078,638 0.026,639 0.018,640 0.016,641 0.025,642 -0.01,643 0.083,644 0.012,645 0.059,646 -0.022,647 0.043,648 1.551,649 2.033,650 0.733,651 27.493,652 1.002,653 1.132,654 3.645,655 13.289,656 0.671,657 3.526,658 3.85,659 4.143,660 4.407,661 4.615,662 4.663,663 4.727,664 4.779,665 4.844,666 4.86,667 7.247,668 0.643,669 401.52,670 3.526,671 5.069,672 5.927,673 6.808,674 7.679,675 8.565,676 9.442,677 10.33,678 11.209,679 12.098,680 13.2,682 1,684 2,685 1,690 3,694 2,695 9,696 3,700 8,702 23,711 2,716 1,718 53,719 23,720 2,721 33,723 56,724 22,725 19,726 4,727 8,729 4,730 5,734 1,741 19,742 3,754 1,757 23,758 8,759 6,760 8,764 7,768 1,769 0.75,770 1,775 1,776 1,781 4,785 1,802 3,806 2,810 30,811 2,816 1,817 2,818 1,829 1.9,834 1,836 15.333,837 9.933,838 6.667,839 2.831,840 4.341,841 1.559,842 1.018,843 5.768,844 12.112,845 3.818,846 4.472,847 5.11,848 5.724,849 6.299,850 6.565,851 6.912,852 7.227,853 7.544,854 7.62,855 1,856 50,857 10.98,859 4.581,860 7.689,861 20.872,863 16.731,865 2.189,866 65.667,869 1,870 200.109,871 135.929,872 151.927,874 11,877 135.929,878 211.109,879 151.927,880 19.708,881 2.106,882 159.493,883 80.016,884 45.078,885 4.227,886 188.338,888 200.109,889 287.857,890 11,893 201.824,894 11,897 39.766,898 178.131,899 68.245,901 200.109,902 162.927,903 135.929,906 200.109,907 31.363,908 104.566,909 35.776,910 127.151,911 200.109,912 162.927,913 135.929,915 0.579,916 0.35,917 0.195,918 0.102,919 22,920 10,921 0.107,922 6,923 1,924 1.091,925 4.153,926 265.59,927 0.091,928 22,929 143.207,933 20.043,934 8.633,935 4.216,936 1.207,937 162.927,938 17.956,939 12.568,943 6.16,945 101.571,946 498.965,947 44.5,956 53.109,957 60.019,958 0.269,959 0.661,960 0.819,961 0.904,962 0.923,963 0.923,964 5.042,965 1.686,966 5.911,967 4.597,968 4.533,969 5.159,970 1.106,971 6.732,972 4.459,973 6.266,974 1.374,975 7.477,976 4.284,977 4.111,978 5.007,980 7.662,981 4.013,982 7.586,983 1.179,984 9.145,985 3.566,986 6.133,987 7.44,988 0.807,989 10.776,990 6.005,991 8.944,992 1.071,993 10.874,994 2.714,995 6.538,996 8.119,998 12.541,999 6.391,1000 10.334,1001 1,1002 12.642,1003 2.453,1004 8.023,1005 10.02,1006 0.615,1007 15.177,1008 7.851,1009 11.748,1010 0.592,1011 14.437,1012 2.136,1013 8.817,1014 11.109,1016 17.293,1017 8.628,1018 13.181,1019 0.294,1020 16.252,1021 1.129,1022 10.086,1023 12.784,1024 0.476,1025 19.767,1026 9.875,1027 3.212,1028 -0.105,1029 18.082,1030 0.625,1031 11.065,1032 14.085,1034 22.038,1035 10.834,1036 2.982,1037 11.23,1038 19.924,1039 -0.272,1040 12.249,1041 15.661,1042 0.369,1043 24.458,1044 11.997,1045 2.635,1046 9.533,1047 21.776,1048 4.616,1049 13.314,1050 17.07,1052 26.8,1053 13.04,1054 2.54,1055 8.477,1056 23.636,1057 4.024,1058 14.467,1059 18.606,1060 0.284,1061 29.204,1062 14.171,1063 2.06,1064 7.852,1065 25.502,1066 3.505,1067 15.573,1068 20.069,1070 31.58,1071 15.255,1072 1.985,1073 5.917,1074 27.375,1075 3.409,1076 16.717,1077 21.591,1078 0.217,1079 33.984,1080 16.376,1081 1.816,1082 5.795,1083 29.253,1084 2.861,1085 17.844,1086 23.082,1088 36.377,1089 17.479,1090 11877,1091 19474,1092 22.076,1093 35.586,1094 49.154,1095 49.328,1096 50.561,1097 48.878,1098 48.852,1099 66.272,1100 2.763,1101 140.615,1102 46.942,1103 5.533,1104 5.312,1105 6.636,1106 5.259,1107 5.212,1108 7.616,1109 1.72,1110 18.464,1111 5.129,1112 14.496,1113 1.49,1114 1.495,1115 1.532,1116 1.481,1117 1.48,1118 2.008,1119 0.084,1120 4.261,1121 1.422,1122 4.076,1123 4.115,1124 4.05,1125 3.974,1126 5.322,1127 3.984,1128 3.996,1129 4.021,1130 3.951,1131 3.929,1132 4.982,1133 3.934,1134 3.768,1135 3.803,1136 3.699,1137 3.681,1138 4.908,1139 3.68,1140 3.565,1141 3.636,1142 3.493,1143 3.367,1144 4.806,1145 3.392,1146 3.272,1147 3.376,1148 3.146,1149 3.02,1150 4.713,1151 3.033,1152 3.245,1153 3.309,1154 3.076,1155 2.985,1156 4.402,1157 2.992,1158 3.155,1159 3.255,1160 3.048,1161 2.888,1162 4.27,1163 2.915,1164 3.023,1165 3.152,1166 2.822,1167 2.758,1168 4.123,1169 2.741,1170 0.141,1171 0.1,1172 0.207,1173 0.127,1174 0.097,1175 4.654,1176 0.14,1177 3.312,1178 0.026,1179 6.835,1180 0.34,1181 4.184,1182 0.095,1183 3.212,1184 4.616,1185 0.86,1186 11.23,1187 3.129,1188 1.997,1189 1.97,1190 2.081,1191 2.132,1192 1.223,1193 2.11,1194 1.981,1195 1.957,1196 2.053,1197 2.058,1198 1.189,1199 2.063,1200 1.754,1201 1.725,1202 1.878,1203 1.877,1204 0.947,1205 1.879,1206 1.491,1207 1.427,1208 1.644,1209 1.73,1210 0.75,1211 1.715,1212 1.214,1213 1.131,1214 1.566,1215 1.526,1216 0.573,1217 1.533,1218 1.196,1219 1.113,1220 1.542,1221 1.489,1222 0.559,1223 1.511,1224 1.073,1225 0.982,1226 1.306,1227 1.388,1228 0.265,1229 1.371,1230 0.946,1231 0.847,1232 1.26,1233 1.335,1234 0.236,1235 1.34,1236 4.205,1238 5.525,1240 7.055,1242 8.684,1244 10.364,1246 3.613,1250 11.695,1252 0.511,1253 6.468,1254 5.488,1262 34.079,1263 81.779,1264 200.786,1265 248.56,1266 274.56,1267 280.07,1268 280.07,1269 42.247,1270 7.771,1271 124,1272 124,1273 24,1274 12.629,1275 4.585,1276 3.644,1277 47.186,1278 134,1279 116,1280 0.172,1281 211.583,1282 352.87,1283 508.023,1284 27841,1286 21.087,1287 0.703,1288 0.56,1289 21.087,1290 16.808,1291 14.563,1292 0.441,1293 0.287,1294 9.317,1295 14.005,1296 9.04,1297 7.571,1298 14.563,1299 9.46,1300 12.918,1301 0.281,1302 0.149,1303 12.918,1304 6.834,1305 11.111,1306 0.179,1307 0.08,1308 11.111,1309 4.943,1310 9.627,1311 0.119,1312 0.042,1313 9.627,1314 3.362,1315 7.376,1316 0.074,1317 0.021,1318 7.376,1319 2.132,1320 0.274,1321 91.295,1322 0.213,1323 28.529,1324 0.459,1325 158,1326 437.961,1327 172.146,1328 434.295,1329 608.44,1330 408,1331 187,1332 464.357,1333 201.286,1334 475.825,1335 692.03,1336 446,1337 6.357}
{0 CHEMBL178904,1 1.56,2 9.381,3 2.893,4 8.371,5 88.636,6 7.791,7 0.522,8 3.767,9 3.911,10 3.363,11 3.31,12 4.86,13 3.28,14 4.287,15 4.469,16 3.746,17 3.727,18 5.351,19 3.658,20 4.588,21 4.819,22 3.766,23 3.864,24 5.512,25 3.757,26 4.631,27 4.895,28 3.639,29 3.781,30 5.559,31 3.644,32 4.567,33 4.85,34 3.392,35 3.669,36 5.43,37 3.513,38 4.442,39 4.728,40 3.251,41 3.56,42 5.314,43 3.387,44 4.299,45 4.594,46 3.25,47 3.452,48 5.091,49 3.283,50 4.045,51 4.286,52 3.231,53 3.291,54 5.069,55 3.148,56 0.048,57 0.613,58 8.033,59 3.125,60 9.363,61 4.442,62 0.143,63 0.954,64 14.956,65 6.03,66 21.61,67 8.423,68 0.185,69 1.149,70 24.031,71 7.598,72 24.443,73 11.068,74 0.301,75 1.126,76 25.72,77 7.706,78 39.023,79 11.537,80 0.277,81 1.015,82 25.3,83 7.096,84 38.085,85 10.716,86 0.312,87 0.878,88 22.812,89 6.767,90 39.243,91 9.934,92 0.166,93 0.73,94 20.183,95 6.359,96 23.03,97 9.291,98 0.152,99 0.579,100 17.937,101 5.018,102 22.851,103 6.964,104 10,105 32,106 0.281,107 0.665,108 0.822,109 0.896,110 0.896,111 0.896,112 3.103,113 0.965,114 -4.53,115 -4.45,116 -4.19,119 38.5,121 3,122 1,125 1,139 4,140 1,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 3,172 3,173 3,175 4,178 9,180 1,182 3,187 4,189 4,191 1,193 3,195 1,196 1,197 1,198 8,200 2,201 3,204 4,205 1,207 1,212 3,215 5,218 3,224 2,225 1,226 1,228 1,229 8,231 1,241 6,246 4,250 1,251 2,253 1,254 4,256 2,260 2,265 1,270 1,273 537,274 14.033,275 14.033,276 14.033,277 14.033,278 14.033,279 12.427,280 19.708,281 8.275,282 14.405,283 11.371,284 11.371,285 11.371,286 11.371,287 11.371,288 8.993,289 26.628,290 3.979,291 12.034,292 3.725,293 1.593,294 0.718,295 0.308,296 0.308,297 0.308,298 3.784,299 1,300 1,301 1,302 1,303 423,304 2.345,307 171.008,311 88.596,314 1.506,315 17.522,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 44.833,327 197,328 4.417,329 3.269,330 6.502,331 4.048,332 3.079,333 4.091,334 0.4,335 10.175,336 2.99,337 4.044,338 2.989,339 5.521,340 3.611,341 2.664,342 3.648,344 7.487,345 2.514,346 3.572,347 2.556,348 5.294,349 3.36,350 2.398,351 2.836,353 6.835,354 2.305,355 3.357,356 2.362,357 5.062,358 2.983,359 2.061,360 2.582,362 5.804,363 1.9,364 3.304,365 2.221,366 4.971,367 2.926,368 1.992,369 2.552,371 5.761,372 1.86,373 3.166,374 2.098,375 4.734,376 2.819,377 1.902,378 2.261,380 5.263,381 1.661,382 2.67,383 1.327,384 3.71,385 2.184,386 1.209,387 1.748,389 2.629,390 1.151,391 2.094,392 1.29,393 3.49,394 1.983,395 1.008,396 1.069,398 2.565,399 0.981,400 1.818,401 0.883,402 3.238,403 1.642,404 0.692,405 0.759,407 1.662,408 0.655,409 1.24,410 0.215,411 2.738,412 0.966,413 0.022,414 0.026,415 0.056,416 0.021,417 0.94,418 0.181,419 2.567,420 0.504,421 -0.392,422 -0.494,423 -0.879,424 -0.255,425 0.867,426 -0.28,427 2.428,428 0.449,429 -0.442,430 -0.546,431 -1.144,432 -0.401,433 0.691,434 -0.402,435 2.105,436 0.31,437 -0.592,438 -0.693,439 -1.596,440 -0.544,441 0.334,442 -0.568,443 2,444 0.148,445 -0.815,446 -0.865,448 -2.155,449 -0.783,450 0.265,451 -0.734,452 1.671,453 0.059,454 -0.907,455 -1.08,457 -2.499,458 -0.878,459 10.214,460 0.486,461 0.558,462 0.027,463 27.25,464 1.298,465 13.5,466 0.643,467 13.75,468 0.655,469 16.504,470 0.786,471 22.786,472 0.584,473 16.677,474 0.794,475 5.034,476 0.24,477 5.08,478 0.242,479 0.148,481 0.343,485 0.996,486 1.225,487 0.677,488 0.863,489 1.1,490 0.851,491 0.537,492 1.086,493 0.68,494 1.01,495 0.382,496 0.996,497 1.03,498 1.197,499 0.964,500 1.081,501 0.851,502 1.071,503 0.867,504 1.078,505 0.874,506 1.064,507 0.798,508 1.09,509 1.131,510 0.962,511 0.975,512 0.964,513 1.253,514 1.028,515 0.928,516 0.706,517 0.985,518 0.926,519 1.14,520 1.017,521 0.723,522 0.801,523 0.768,524 0.811,525 0.724,526 0.823,527 1.151,528 1.029,529 1.445,530 1.18,531 1.095,532 1.067,533 5,534 0.07,535 2,536 1.313,537 1.44,538 0.354,539 0.264,540 0.28,541 0.135,542 0.161,543 4587,544 13187,545 2.074,546 46.2,547 4,548 6,551 5,552 2,553 1,555 1.627,556 1.938,557 3.213,558 2.798,559 1,560 1,562 1,564 60.859,565 1.56,566 3.692,567 4.567,568 4.978,569 4.978,570 4.978,571 2.707,572 4.011,573 4.366,574 3.36,575 705.536,576 7.455,577 7558.98,578 1,579 1,580 1,581 1,582 206.131,583 1.418,584 4.322,585 0.217,586 0.007,587 0.063,588 0.042,589 0.058,590 0.018,591 0.016,592 0.016,593 0.008,594 0.012,595 0.457,596 0.17,597 1,598 0.61,599 95.599,600 -0.173,601 0.04,602 -0.003,603 0.108,604 -0.189,605 0.09,606 0.22,607 0.058,608 0.057,609 -0.018,610 0.298,611 -0.02,612 -0.133,613 -0.167,614 -0.087,615 -0.11,616 -0.079,617 -0.102,618 0.037,619 -0.102,620 -0.041,621 -0.133,622 0.054,623 -0.135,624 -0.194,625 -0.021,626 -0.112,627 -0.04,628 -0.237,629 -0.073,630 -0.023,631 0.217,632 -0.093,633 0.02,634 -0.163,635 -0.044,636 0.043,637 0.05,638 0.166,639 0.193,640 0.024,641 0.205,642 -0.029,643 -0.125,644 -0.096,645 -0.101,646 0.006,647 -0.04,648 1.401,649 1.963,650 0.762,651 15.973,652 1,653 1.137,654 3.298,655 10.876,656 0.672,657 3.178,658 3.497,659 3.714,660 3.97,661 4.19,662 4.159,663 4.19,664 4.263,665 4.382,666 4.344,667 5.616,668 0.631,669 303.83,670 3.178,671 4.71,672 5.541,673 6.412,674 7.259,675 8.132,676 8.986,677 9.86,678 10.719,679 11.593,680 12.8,684 2,685 1,690 2,695 4,696 2,700 6,702 12,711 2,712 1,717 1,718 39,719 12,720 1,721 23,723 41,724 15,725 10,726 2,727 4,729 3,730 4,731 1,736 3,737 1,739 3,741 10,742 5,743 1,753 1,754 1,757 18,758 5,759 5,760 6,761 1,764 5,769 0.667,776 1,781 3,785 1,802 2,807 1,810 21,811 2,816 4,817 1,820 1,828 1,836 10.833,837 6.626,838 4.556,839 2.27,840 2.202,841 1.323,842 1.005,843 4.173,844 9.013,845 3.401,846 3.989,847 4.483,848 4.999,849 5.462,850 5.454,851 5.448,852 5.652,853 5.961,854 6.08,855 1,856 31,857 7.719,859 3.26,860 7.688,861 14.888,863 12.396,865 2.188,866 45.944,867 0.001,870 153.024,871 64.041,872 117.376,873 39.149,877 64.041,878 192.173,879 117.376,881 9.709,882 103.699,883 51.582,884 12.2,885 4.227,886 153.024,887 39.149,888 153.024,889 181.417,891 39.149,893 141.253,894 11.771,897 14.365,898 115.47,899 90.73,901 153.024,902 117.376,903 103.19,906 153.024,907 26.136,908 37.905,909 18.011,910 138.514,911 153.024,912 117.376,913 103.19,915 0.584,916 0.328,917 0.179,918 0.099,919 16,920 7,921 0.073,922 3,923 1,924 1.125,925 3.39,926 157.605,927 0.125,928 16,929 92.239,933 14.419,934 6.078,935 3.39,937 117.376,938 7.749,939 8.346,943 4.607,945 83.805,946 373.59,947 29,956 39.018,957 44.342,958 0.295,959 0.699,960 0.864,961 0.942,962 0.942,963 0.942,964 4.635,965 1.008,966 5.525,967 2.629,968 4.174,969 4.673,970 0.278,971 6.297,972 4.07,973 5.83,974 0.692,975 7.059,976 2.565,977 3.761,978 4.477,980 7.081,981 3.568,982 7.127,983 0.022,984 8.685,985 1.662,986 5.733,987 6.815,988 0.05,989 10.155,990 5.55,991 8.451,992 -0.392,993 10.363,994 0.056,995 6.066,996 7.365,998 11.748,999 5.816,1000 9.804,1001 -0.442,1002 12.077,1003 -0.879,1004 7.544,1005 9.23,1006 0.008,1007 14.354,1008 7.298,1009 11.176,1010 -0.592,1011 13.816,1012 -1.144,1013 8.252,1014 10.157,1016 16.337,1017 7.958,1018 12.565,1019 -0.815,1020 15.575,1021 -1.596,1022 9.515,1023 11.803,1024 0.001,1025 18.767,1026 9.214,1027 3.079,1028 -0.907,1029 17.35,1030 -2.155,1031 10.422,1032 12.937,1034 20.936,1035 10.083,1036 2.664,1037 10.175,1038 19.141,1039 -2.499,1040 11.59,1041 14.468,1043 23.298,1044 11.238,1045 2.398,1046 7.487,1047 20.944,1048 4.091,1049 12.599,1050 15.716,1052 25.551,1053 12.216,1054 2.061,1055 6.835,1056 22.757,1057 3.648,1058 13.729,1059 17.186,1061 27.886,1062 13.327,1063 1.992,1064 5.804,1065 24.58,1066 2.836,1067 14.79,1068 18.499,1070 30.176,1071 14.359,1072 1.902,1073 5.761,1074 26.411,1075 2.582,1076 15.907,1077 19.936,1079 32.502,1080 15.454,1081 1.209,1082 5.263,1083 28.249,1084 2.552,1085 16.995,1086 21.286,1088 34.808,1089 16.515,1090 4446,1091 7627,1092 15.315,1093 26.216,1094 34.184,1095 34.492,1096 34.957,1097 34.263,1098 34.056,1099 43.141,1100 0.8,1101 96.473,1102 32.076,1103 5.362,1104 5.269,1105 6.063,1106 5.12,1107 5.079,1108 7.091,1109 0.8,1110 17.069,1111 4.99,1112 9.883,1113 1.486,1114 1.5,1115 1.52,1116 1.49,1117 1.481,1118 1.876,1119 0.035,1120 4.194,1121 1.395,1122 4.006,1123 4.053,1124 4.006,1125 3.896,1126 5.282,1127 3.899,1128 3.889,1129 3.921,1130 3.924,1131 3.817,1132 4.978,1133 3.814,1134 3.575,1135 3.647,1136 3.505,1137 3.389,1138 4.948,1139 3.403,1140 3.234,1141 3.323,1142 3.318,1143 3.038,1144 4.475,1145 3.033,1146 3.137,1147 3.244,1148 3.041,1149 2.893,1150 4.389,1151 2.906,1152 2.916,1153 3.021,1154 2.988,1155 2.794,1156 4.097,1157 2.769,1158 2.876,1159 2.922,1160 2.73,1161 2.703,1162 3.868,1163 2.703,1164 2.795,1165 2.903,1166 2.59,1167 2.498,1168 3.687,1169 2.51,1170 0.192,1171 0.142,1172 0.283,1173 0.176,1174 0.134,1175 4.417,1176 0.178,1177 3.269,1178 0.017,1179 6.502,1180 0.442,1181 4.048,1182 0.13,1183 3.079,1184 4.091,1185 0.4,1186 10.175,1187 2.99,1188 1.952,1189 1.912,1190 2.092,1191 2.092,1192 1.45,1193 2.093,1194 1.871,1195 1.844,1196 1.966,1197 1.968,1198 1.068,1199 1.974,1200 1.52,1201 1.455,1202 1.671,1203 1.745,1204 0.842,1205 1.737,1206 1.218,1207 1.136,1208 1.517,1209 1.463,1210 0.746,1211 1.485,1212 1.067,1213 0.978,1214 1.343,1215 1.396,1216 0.406,1217 1.387,1218 0.88,1219 0.824,1220 1.216,1221 1.197,1222 0.18,1223 1.226,1224 0.864,1225 0.789,1226 1.117,1227 1.062,1228 0.12,1229 1.083,1230 0.757,1231 0.639,1232 1.058,1233 1.009,1234 0.072,1235 1.048,1236 3.85,1238 5.165,1240 6.673,1242 8.276,1244 9.927,1247 5.984,1250 11.602,1252 3.725,1253 3.426,1256 0.506,1262 24.622,1263 60.859,1264 143.992,1265 178.131,1266 194.131,1267 194.131,1268 194.131,1269 29.338,1270 6.811,1271 89.85,1272 89.85,1273 18,1274 12.136,1275 3.7,1276 2.807,1277 32.372,1278 71,1279 60,1280 0.226,1281 157.215,1282 263.55,1283 375.365,1284 7763,1285 2.6,1286 14.82,1287 0.706,1288 0.59,1289 15.32,1290 12.398,1291 10.114,1292 0.44,1293 0.322,1294 6.978,1295 9.535,1296 6.805,1297 5.619,1298 10.403,1299 7.395,1300 9.372,1301 0.293,1302 0.182,1303 9.78,1304 5.829,1305 7.395,1306 0.185,1307 0.102,1308 7.657,1309 4.079,1310 6.327,1311 0.122,1312 0.057,1313 6.595,1314 2.955,1315 5.022,1316 0.077,1317 0.033,1318 5.199,1319 2.14,1320 0.355,1321 65.709,1322 0.256,1323 20.964,1324 0.613,1325 110,1326 280.451,1327 133.623,1328 311.852,1329 420.88,1330 290,1331 127,1332 293.877,1333 144.252,1334 309.68,1335 448.65,1336 292,1337 6.893}
{0 CHEMBL179102,1 1.411,2 10.208,3 3.256,4 10.6,5 99.717,6 7.693,7 0.815,8 3.83,9 3.963,10 3.429,11 3.426,12 4.997,13 3.409,14 4.287,15 4.443,16 3.788,17 3.818,18 5.438,19 3.775,20 4.533,21 4.729,22 3.835,23 3.947,24 5.574,25 3.88,26 4.577,27 4.793,28 3.703,29 3.893,30 5.617,31 3.79,32 4.581,33 4.841,34 3.501,35 3.773,36 5.548,37 3.639,38 4.428,39 4.71,40 3.288,41 3.61,42 5.291,43 3.471,44 4.223,45 4.478,46 3.281,47 3.531,48 5.146,49 3.417,50 4.107,51 4.327,52 3.285,53 3.479,54 5.094,55 3.383,56 0.054,57 0.643,58 7.831,59 3.179,60 10.028,61 4.181,62 0.147,63 1.001,64 13.033,65 5.676,66 17.945,67 7.607,68 0.122,69 1.224,70 18.189,71 7.054,72 17.667,73 9.71,74 0.155,75 1.247,76 19.691,77 7.753,78 27.001,79 10.813,80 0.247,81 1.205,82 21.685,83 7.818,84 35.167,85 11.161,86 0.184,87 0.993,88 19.506,89 6.867,90 27.889,91 9.93,92 0.146,93 0.825,94 15.082,95 5.789,96 20.278,97 8.219,98 0.067,99 0.755,100 12.436,101 5.09,102 13.278,103 7.124,104 5,105 38,106 0.244,107 0.552,108 0.704,109 0.844,110 0.885,111 0.901,112 3.228,113 0.86,114 -5.06,115 -4.96,116 -4.64,119 46.3,125 1,139 10,140 4,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 13,169 1,170 3,172 3,173 3,175 4,178 16,180 1,182 3,187 5,189 14,191 1,193 1,195 1,196 1,197 1,198 6,200 2,201 8,204 3,205 1,207 1,210 2,211 1,212 6,214 1,215 8,218 3,226 1,229 10,234 2,238 1,239 1,240 1,241 12,243 1,246 4,251 2,254 8,256 2,260 6,265 4,268 2,270 4,273 722,274 16.447,275 16.447,276 16.447,277 16.447,278 16.447,279 13.824,280 16.037,281 9.694,282 16.683,283 13.353,284 13.353,285 13.353,286 13.353,287 13.353,288 9.446,289 23.348,290 4.613,291 13.747,292 3.947,293 2.166,294 1.286,295 0.476,296 0.244,297 0.146,298 3.932,300 1,301 1,302 1,303 544,304 2.449,307 226.72,311 193.163,314 1.458,315 14.898,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50.5,327 245,328 4.542,329 3.144,330 6.508,331 4.052,332 3.081,333 4.491,334 0.657,335 10.202,336 3.029,337 4.492,338 3.097,339 6.5,340 4.023,341 3.028,342 4.429,344 10.168,345 2.979,346 3.777,347 2.58,348 5.339,349 3.373,350 2.423,351 3.237,353 6.929,354 2.302,355 3.509,356 2.266,357 5.172,358 3.094,359 2.117,360 2.906,362 6.198,363 2.075,364 3.427,365 2.141,366 5.062,367 2.965,368 2.023,369 2.811,371 5.8,372 1.894,373 3.358,374 2.016,375 4.966,376 2.892,377 1.941,378 2.686,380 5.732,381 1.838,382 3.118,383 1.618,384 4.167,385 2.618,386 1.618,387 2.427,389 3.801,390 1.618,391 2.77,392 1.298,393 3.71,394 2.276,395 1.277,396 1.904,398 2.853,399 1.275,400 2.458,401 1.169,402 3.601,403 2.023,404 1.041,405 1.441,407 2.565,408 1.02,409 2.41,410 1.057,411 3.419,412 1.976,413 1,414 1.376,415 2.369,416 0.974,417 1.881,418 0.713,419 3.125,420 1.552,421 0.592,422 0.745,423 1.402,424 0.567,425 1.391,426 0.172,427 2.733,428 0.984,429 0.034,430 0.045,431 0.086,432 0.033,433 1.028,434 -0.217,435 2.569,436 0.603,437 -0.366,438 -0.485,439 -0.925,440 -0.352,441 0.951,442 -0.304,443 2.448,444 0.473,445 -0.459,446 -0.59,448 -1.169,449 -0.427,450 0.882,451 -0.618,452 2.301,453 0.382,454 -0.618,455 -0.927,457 -1.478,458 -0.618,459 11.5,460 0.479,461 0.554,462 0.023,463 37,464 1.542,465 21.5,466 0.896,467 15.5,468 0.646,469 14.459,470 0.602,471 23.9,472 0.583,473 25.102,474 1.046,475 7.373,476 0.307,477 4.33,478 0.18,479 0.07,481 0.348,485 1.19,486 1.015,487 0.806,488 0.789,489 1.323,490 0.758,491 0.563,492 0.929,493 0.805,494 0.961,495 0.467,496 0.922,497 1.07,498 1.106,499 0.982,500 1.022,501 0.843,502 0.997,503 0.851,504 1.204,505 1.117,506 1.261,507 0.771,508 1.229,509 0.941,510 0.952,511 1.121,512 1.089,513 1.027,514 1.12,515 1.049,516 0.788,517 0.997,518 0.86,519 0.991,520 0.91,521 0.766,522 0.682,523 0.878,524 0.807,525 0.78,526 0.847,527 0.728,528 1.034,529 0.919,530 1.052,531 0.77,532 1.017,533 4.5,534 0.103,535 2.667,536 1.5,537 1.493,538 0.444,539 0.283,540 0.236,541 0.209,542 0.177,543 6919,544 17323,545 2.161,546 41.5,548 12,551 5,555 1.665,556 2.057,557 3.309,558 2.578,559 1,560 1,564 57.853,565 1.411,566 3.192,567 4.071,568 4.882,569 5.114,570 5.211,571 2.709,572 4.054,573 4.563,574 3.451,575 952.501,576 7.851,577 11218.6,578 1,579 1,581 1,582 219.66,583 1.281,584 4.532,585 0.167,586 0.006,587 0.07,588 0.038,589 0.047,590 0.018,591 0.013,592 0.011,593 0.009,594 0.009,595 0.389,596 0.17,597 1,598 0.49,599 114.344,600 -0.205,601 0.108,602 0.011,603 0.142,604 -0.323,605 0.11,606 0.307,607 0.134,608 0.042,610 0.249,611 -0.009,612 -0.131,613 -0.085,614 -0.072,615 -0.059,616 -0.069,617 -0.059,618 0.055,619 -0.225,620 -0.178,621 -0.287,622 0.093,623 -0.265,624 0.07,625 -0.002,626 -0.108,627 -0.111,628 -0.032,629 -0.128,630 -0.11,631 0.123,632 0.047,633 0.145,634 -0.112,635 0.121,636 0.036,637 0.238,638 0.116,639 0.214,640 0.024,641 0.182,642 0.005,643 -0.094,644 0.021,645 -0.039,646 0.002,647 -0.013,648 1.475,649 1.949,650 0.833,651 17.924,652 0.995,653 1.122,654 3.828,655 14.654,656 0.697,657 3.332,658 3.664,659 3.951,660 4.234,661 4.477,662 4.466,663 4.543,664 4.635,665 4.779,666 4.754,667 6.008,668 0.665,669 315.41,670 3.332,671 4.875,672 5.733,673 6.616,674 7.487,675 8.372,676 9.247,677 10.131,678 11.008,679 11.891,680 12.2,684 2,685 1,690 2,694 4,695 10,696 2,700 4,702 22,711 2,712 1,718 41,719 22,720 3,721 27,723 44,724 19,725 18,726 6,727 10,729 4,730 6,741 18,742 1,753 1,754 1,757 17,758 5,759 5,760 5,764 5,769 0.5,776 1,781 4,785 2,802 2,810 24,811 2,816 1,817 1,836 11.667,837 7.15,838 5.194,839 2.263,840 4.538,841 1.605,842 1.071,843 3.673,844 12.044,845 3.664,846 4.357,847 5.024,848 5.672,849 6.281,850 6.536,851 6.902,852 7.272,853 7.694,854 7.683,855 0.857,856 39,857 8.792,859 3.751,860 7.639,861 16.871,863 13.984,865 2.139,866 51.333,869 1,870 141.253,871 116.901,872 117.376,877 116.901,878 141.253,879 117.376,881 2.106,882 160.557,883 51.582,884 15.805,885 4.227,886 141.253,888 141.253,889 234.277,893 141.253,897 6.149,898 176.546,899 51.582,901 141.253,902 117.376,903 116.901,906 141.253,907 22.138,908 94.762,909 18.011,910 99.365,911 141.253,912 117.376,913 116.901,915 0.583,916 0.345,917 0.196,918 0.108,919 20,920 8,921 0.068,922 3,923 2,924 1.2,925 3.693,926 199.238,927 0.2,928 20,929 108.039,933 14.729,934 5.984,935 2.873,936 4.037,937 117.376,938 20.532,939 8.214,943 2.799,945 83.805,946 375.53,947 38,956 40.811,957 45.983,958 0.263,959 0.596,960 0.76,961 0.911,962 0.954,963 0.973,964 4.879,965 1.277,966 5.714,967 3.801,968 4.344,969 5.043,970 0.623,971 6.524,972 4.29,973 6.114,974 1.041,975 7.268,976 2.853,977 3.892,978 4.913,980 7.402,981 3.807,982 7.437,983 1,984 8.921,985 2.565,986 5.932,987 7.38,988 0.317,989 10.513,990 5.834,991 8.798,992 0.592,993 10.634,994 2.369,995 6.293,996 8.087,998 12.23,999 6.175,1000 10.191,1001 0.034,1002 12.386,1003 1.402,1004 7.8,1005 10.012,1006 0.149,1007 14.848,1008 7.669,1009 11.607,1010 -0.366,1011 14.165,1012 0.086,1013 8.558,1014 11.132,1016 16.917,1017 8.413,1018 13.042,1019 -0.459,1020 15.964,1021 -0.925,1022 9.837,1023 12.819,1024 0.067,1025 19.357,1026 9.679,1027 3.081,1028 -0.618,1029 17.778,1030 -1.169,1031 10.789,1032 14.142,1034 21.573,1035 10.618,1036 3.028,1037 10.202,1038 19.604,1039 -1.478,1040 11.971,1041 15.723,1042 0.03,1043 23.943,1044 11.787,1045 2.423,1046 10.168,1047 21.439,1048 4.491,1049 13.013,1050 17.14,1052 26.22,1053 12.815,1054 2.117,1055 6.929,1056 23.281,1057 4.429,1058 14.155,1059 18.674,1060 0.013,1061 28.562,1062 13.943,1063 2.023,1064 6.198,1065 25.13,1066 3.237,1067 15.238,1068 20.134,1070 30.864,1071 15.011,1072 1.941,1073 5.8,1074 26.983,1075 2.906,1076 16.364,1077 21.647,1078 0.006,1079 33.194,1080 16.123,1081 1.618,1082 5.732,1083 28.84,1084 2.811,1085 17.465,1086 23.127,1088 35.507,1089 17.209,1090 6448,1091 10322,1092 18.493,1093 28.597,1094 40.522,1095 40.513,1096 41.213,1097 40.366,1098 40.35,1099 56.996,1100 1.315,1101 116.213,1102 39.211,1103 5.37,1104 5.144,1105 6.197,1106 5.124,1107 5.081,1108 7.491,1109 1.315,1110 17.096,1111 5.029,1112 8.834,1113 1.501,1114 1.5,1115 1.526,1116 1.495,1117 1.494,1118 2.111,1119 0.049,1120 4.304,1121 1.452,1122 4.11,1123 4.138,1124 4.067,1125 4.06,1126 5.308,1127 4.057,1128 4.038,1129 4.067,1130 4.004,1131 3.956,1132 4.982,1133 3.965,1134 3.559,1135 3.626,1136 3.482,1137 3.428,1138 4.899,1139 3.425,1140 3.449,1141 3.502,1142 3.358,1143 3.291,1144 4.71,1145 3.313,1146 3.229,1147 3.301,1148 3.105,1149 3.09,1150 4.354,1151 3.085,1152 3.13,1153 3.236,1154 3.02,1155 2.906,1156 4.239,1157 2.921,1158 2.932,1159 3.004,1160 2.811,1161 2.745,1162 3.952,1163 2.753,1164 2.73,1165 2.824,1166 2.552,1167 2.577,1168 3.808,1169 2.563,1170 0.168,1171 0.116,1172 0.241,1173 0.15,1174 0.114,1175 4.542,1176 0.166,1177 3.144,1178 0.024,1179 6.508,1180 0.378,1181 4.052,1182 0.112,1183 3.081,1184 4.491,1185 0.657,1186 10.202,1187 3.029,1188 2.083,1189 2.064,1190 2.168,1191 2.149,1192 1.327,1193 2.154,1194 2.003,1195 1.976,1196 2.065,1197 2.108,1198 1.176,1199 2.099,1200 1.531,1201 1.484,1202 1.709,1203 1.718,1204 0.827,1205 1.71,1206 1.409,1207 1.349,1208 1.565,1209 1.589,1210 0.616,1211 1.6,1212 1.218,1213 1.158,1214 1.444,1215 1.42,1216 0.405,1217 1.437,1218 1.052,1219 0.976,1220 1.295,1221 1.386,1222 0.261,1223 1.371,1224 0.912,1225 0.834,1226 1.18,1227 1.118,1228 0.184,1229 1.142,1230 0.729,1231 0.647,1232 1.067,1233 0.977,1234 0.059,1235 1.016,1236 4.007,1238 5.333,1240 6.868,1242 8.502,1244 10.187,1250 11.581,1252 0.725,1253 3.445,1262 27.268,1263 57.853,1264 130.857,1265 166.931,1266 200.15,1267 209.66,1268 213.66,1269 26.976,1270 7.506,1271 89.85,1272 89.85,1273 24,1274 12.426,1275 4.524,1276 3.585,1277 34.017,1278 89,1279 76,1280 0.19,1281 168.149,1282 272.82,1283 402.043,1284 19727,1286 16.518,1287 0.688,1288 0.543,1289 16.518,1290 13.03,1291 11.704,1292 0.433,1293 0.287,1294 7.669,1295 11.434,1296 7.504,1297 6.233,1298 11.704,1299 7.738,1300 10.634,1301 0.28,1302 0.15,1303 10.634,1304 5.691,1305 9.036,1306 0.177,1307 0.08,1308 9.036,1309 4.105,1310 7.913,1311 0.116,1312 0.043,1313 7.913,1314 2.925,1315 6.551,1316 0.075,1317 0.023,1318 6.551,1319 2.017,1320 0.299,1321 72.069,1322 0.233,1323 23.45,1324 0.516,1325 130,1326 318.248,1327 138.104,1328 325.836,1329 463.06,1330 306,1331 154,1332 359.014,1333 161.494,1334 370.1,1335 540.68,1336 350,1337 6.721}
{0 CHEMBL179131,1 1.637,2 11.724,3 2.471,4 6.105,5 112.252,6 7.83,7 0.688,8 4.041,9 4.171,10 3.638,11 3.513,12 5.258,13 3.53,14 4.509,15 4.68,16 4.007,17 3.893,18 5.689,19 3.893,20 4.685,21 4.854,22 4.096,23 4.033,24 5.836,25 4.018,26 4.83,27 5.018,28 4.109,29 4.091,30 6.013,31 4.046,32 4.963,33 5.205,34 3.956,35 4.071,36 6.043,37 3.997,38 4.834,39 5.077,40 3.792,41 3.943,42 5.889,43 3.85,44 4.713,45 4.961,46 3.638,47 3.804,48 5.76,49 3.708,50 4.604,51 4.872,52 3.596,53 3.687,54 5.592,55 3.6,56 0.119,57 0.807,58 9.789,59 3.725,60 16.474,61 4.879,62 0.326,63 1.216,64 17.517,65 6.409,66 29.273,67 8.509,68 0.343,69 1.416,70 20.636,71 7.31,72 27.49,73 10.031,74 0.483,75 1.552,76 24.875,77 9.069,78 47.121,79 12.364,80 0.716,81 1.573,82 32.508,83 9.304,84 72.431,85 13.432,86 0.539,87 1.343,88 28.861,89 9.326,90 56.512,91 13.081,92 0.481,93 1.178,94 25.779,95 7.988,96 59.877,97 11.487,98 0.425,99 1.037,100 24.097,101 7.538,102 47.241,103 11.075,104 27,105 46,106 0.273,107 0.681,108 0.822,109 0.856,110 0.862,111 0.862,112 3.408,113 0.837,114 -2.96,115 -2.96,116 -2.86,119 40,120 1,124 1,125 1,139 4,140 3,141 4,142 1,144 1,146 1,147 1,148 2,157 2,158 2,159 2,166 4,169 2,170 8,172 3,173 3,175 4,178 3,180 1,181 1,182 5,186 1,187 4,189 1,191 1,192 1,193 5,195 3,196 6,197 1,198 5,200 2,201 3,204 3,205 1,207 2,210 2,212 2,215 4,218 1,221 2,224 2,225 1,226 5,228 1,229 3,231 2,234 3,237 1,239 4,241 2,245 1,246 5,250 1,251 1,253 1,256 1,259 1,260 4,263 2,264 1,265 1,267 1,268 2,270 1,273 1240,274 19.524,275 19.524,276 19.524,277 19.524,278 19.524,279 16.78,280 26.152,281 11.24,282 20.125,283 15.699,284 15.699,285 15.699,286 15.699,287 15.699,288 11.536,289 35.657,290 5.216,291 16.606,292 4.007,293 1.56,294 0.71,295 0.51,296 0.47,297 0.47,298 4.1,301 1,302 1,303 740,304 2.915,306 84.303,307 254.98,311 136.832,314 1.665,315 28.716,318 0.75,319 0.67,320 0.83,321 0.5,323 0.83,324 1,325 0.65,326 63.5,327 340,328 4.654,329 3.325,330 6.835,331 4.186,332 3.213,333 4.616,334 0.86,335 11.231,336 3.13,337 4.469,338 3.288,339 6.559,340 4.055,341 3.103,342 4.177,343 0.657,344 10.408,345 2.95,346 3.988,347 2.859,348 5.959,349 3.588,350 2.644,351 3.515,353 8.352,354 2.494,355 3.891,356 2.696,357 5.791,358 3.468,359 2.514,360 3.403,362 7.82,363 2.395,364 3.514,365 2.456,366 5.204,367 3.072,368 2.142,369 2.882,371 6.173,372 1.989,373 3.453,374 2.215,375 5.097,376 2.984,377 2.05,378 2.861,380 5.913,381 1.909,382 3.384,383 2.054,384 5.009,385 2.902,386 1.98,387 2.707,389 5.793,390 1.82,391 3.032,392 1.848,393 4.464,394 2.612,395 1.651,396 2.228,398 4.454,399 1.58,400 2.709,401 1.618,402 4.245,403 2.322,404 1.369,405 1.779,407 3.552,408 1.301,409 2.492,410 1.471,411 3.726,412 2.1,413 1.166,414 1.489,415 2.709,416 1.083,417 2.118,418 1.018,419 3.311,420 1.7,421 0.751,422 0.948,423 1.825,424 0.71,425 2.048,426 0.852,427 3.075,428 1.591,429 0.618,430 0.927,431 1.372,432 0.6,433 1.787,434 0.618,435 3,436 1.466,437 0.585,438 0.681,439 1.135,440 0.51,441 1.43,442 0.488,443 2.84,444 1.078,445 0.158,446 0.191,448 0.339,449 0.144,450 1.197,451 0.163,452 2.813,453 0.838,454 -0.107,455 -0.132,457 -0.273,458 -0.1,459 13.467,460 0.464,461 0.784,462 0.027,463 42.5,464 1.466,465 22.5,466 0.776,467 20,468 0.69,469 21.18,470 0.73,471 30.933,472 0.619,473 33.036,474 1.139,475 8.587,476 0.296,477 5.387,478 0.186,479 0.158,481 0.401,485 1.101,486 1.347,487 0.799,488 1.004,489 1.172,490 0.861,491 0.93,492 0.962,493 0.728,494 0.847,495 0.591,496 0.77,497 0.983,498 1.285,499 0.932,500 1.11,501 0.89,502 1.023,503 0.843,504 1.181,505 1.037,506 1.277,507 0.847,508 1.218,509 1.255,510 0.881,511 1.186,512 0.951,513 1.195,514 1.026,515 1.146,516 0.889,517 1.091,518 1.046,519 1.135,520 1.069,521 1.156,522 0.974,523 1.105,524 1.044,525 1.418,526 1.07,527 0.899,528 0.843,529 0.792,530 0.856,531 0.977,532 0.823,533 6,534 0.206,535 3.778,536 2.528,537 2.253,538 1.129,539 0.602,540 0.383,541 0.347,542 0.238,543 11033,544 31334,545 2.07,546 42,547 3,548 9,549 2,550 1,551 6,555 1.718,556 1.912,557 3.494,558 3.339,559 1,560 1,564 81.864,565 1.637,566 4.084,567 4.934,568 5.134,569 5.174,570 5.174,571 2.905,572 4.582,573 4.833,574 3.662,575 1486.58,576 8.405,577 20079.8,579 1,581 1,582 282.193,583 1.487,584 4.777,585 0.188,586 0.008,587 0.082,588 0.052,589 0.048,590 0.029,591 0.018,592 0.014,593 0.012,594 0.008,595 0.459,596 0.17,597 1,598 0.772,599 147.528,600 -0.189,601 -0.132,602 0.013,603 0.021,604 -0.26,605 0.055,606 0.03,607 0.163,608 0.155,609 0.163,610 0.128,611 0.173,612 -0.047,613 -0.166,614 -0.056,615 -0.102,616 -0.053,617 -0.082,618 0.118,619 -0.117,620 -0.128,621 -0.274,622 0.076,623 -0.262,624 -0.158,625 0.085,626 -0.178,627 -0.003,628 -0.141,629 -0.068,630 -0.09,631 0.022,632 -0.079,633 -0.048,634 -0.053,635 -0.062,636 -0.111,637 -0.07,638 -0.087,639 -0.053,640 -0.153,641 -0.064,642 0.075,643 0.012,644 0.255,645 0.15,646 0.048,647 0.221,648 1.576,649 4.503,650 0.724,651 25.941,652 1.011,653 1.136,654 1.725,655 2.976,656 0.666,657 3.497,658 3.85,659 4.159,660 4.443,661 4.635,662 4.727,663 4.754,664 4.828,665 4.92,666 4.97,667 6.838,668 0.645,669 391.48,670 3.497,671 5.056,672 5.927,673 6.823,674 7.708,675 8.608,676 9.497,677 10.396,678 11.287,679 12.187,680 14,684 2,685 1,688 1,690 3,694 2,695 7,696 3,700 8,701 1,702 22,711 2,712 1,715 1,716 1,718 50,719 22,720 1,721 32,723 53,724 20,725 17,726 4,727 2,729 4,730 5,734 1,741 17,742 3,754 1,757 21,758 8,759 6,760 9,764 7,769 0.75,770 2,775 1,776 1,777 1,780 1,781 3,785 1,802 3,806 2,810 29,811 2,815 1,816 1,817 1,818 1,829 4,831 1,834 1,836 15.167,837 9.417,838 6.361,839 2.612,840 4.018,841 1.522,842 0.999,843 5.172,844 11.71,845 3.784,846 4.469,847 5.12,848 5.748,849 6.274,850 6.617,851 6.933,852 7.276,853 7.632,854 7.788,855 0.875,856 49,857 10.635,859 4.525,860 7.816,861 19.941,863 16.1,865 2.316,866 67.167,869 1,870 176.567,871 112.505,872 136.061,874 53.683,877 112.505,878 230.25,879 136.061,880 19.708,881 2.106,882 121.794,883 122.822,884 43.363,885 27.769,886 141.253,888 176.567,889 248.565,890 53.683,893 178.282,894 53.683,897 23.777,898 154.706,899 68.367,901 176.567,902 189.744,903 112.505,906 176.567,907 27.749,908 86.655,909 18.011,910 169.834,911 176.567,912 189.744,913 112.505,915 0.588,916 0.359,917 0.202,918 0.104,919 23,920 11,921 0.094,922 5,923 1,924 1.095,925 3.988,926 260.11,927 0.095,928 21,929 136.881,933 19.297,934 7.772,935 3.665,936 1.125,937 187.845,938 12.691,939 12.48,943 4.193,944 1.869,945 126.488,946 478.815,947 43,956 50.552,957 56.813,958 0.29,959 0.724,960 0.874,961 0.91,962 0.917,963 0.917,964 5.027,965 1.651,966 5.932,967 5.793,968 4.533,969 5.156,970 1.207,971 6.783,972 4.427,973 6.271,974 1.369,975 7.52,976 4.454,977 4.205,978 5.094,980 7.758,981 4.058,982 7.607,983 1.166,984 9.207,985 3.552,986 6.168,987 7.466,988 0.903,989 10.88,990 5.977,991 8.98,992 0.751,993 10.952,994 2.709,995 6.648,996 8.222,998 12.669,999 6.424,1000 10.384,1001 0.618,1002 12.732,1003 1.825,1004 8.09,1005 10.067,1006 0.678,1007 15.319,1008 7.829,1009 11.809,1010 0.585,1011 14.538,1012 1.372,1013 8.934,1014 11.209,1016 17.451,1017 8.645,1018 13.252,1019 0.158,1020 16.363,1021 1.135,1022 10.184,1023 12.848,1024 0.512,1025 19.938,1026 9.861,1027 3.213,1028 -0.107,1029 18.202,1030 0.339,1031 11.196,1032 14.18,1034 22.219,1035 10.844,1036 3.103,1037 11.231,1038 20.052,1039 -0.273,1040 12.375,1041 15.737,1042 0.387,1043 24.646,1044 11.992,1045 2.644,1046 10.408,1047 21.911,1048 4.616,1049 13.461,1050 17.161,1052 26.993,1053 13.049,1054 2.514,1055 8.352,1056 23.778,1057 4.177,1058 14.616,1059 18.686,1060 0.293,1061 29.4,1062 14.175,1063 2.142,1064 7.82,1065 25.651,1066 3.515,1067 15.737,1068 20.156,1070 31.776,1071 15.266,1072 2.05,1073 6.173,1074 27.53,1075 3.403,1076 16.886,1077 21.671,1078 0.221,1079 34.177,1080 16.386,1081 1.98,1082 5.913,1083 29.413,1084 2.882,1085 18.022,1086 23.164,1088 36.567,1089 17.494,1090 10464,1091 17779,1092 21.096,1093 33.279,1094 48.311,1095 48.414,1096 49.799,1097 47.907,1098 47.886,1099 64.809,1100 3.035,1101 142.153,1102 45.231,1103 5.493,1104 5.325,1105 6.43,1106 5.261,1107 5.213,1108 7.616,1109 1.72,1110 18.468,1111 5.13,1112 15.589,1113 1.51,1114 1.513,1115 1.556,1116 1.497,1117 1.496,1118 2.025,1119 0.095,1120 4.442,1121 1.413,1122 4.086,1123 4.125,1124 4.058,1125 3.97,1126 6.469,1127 3.986,1128 4.016,1129 4.053,1130 3.981,1131 3.897,1132 5.321,1133 3.913,1134 3.766,1135 3.804,1136 3.704,1137 3.649,1138 4.982,1139 3.657,1140 3.541,1141 3.604,1142 3.473,1143 3.356,1144 4.902,1145 3.379,1146 3.283,1147 3.347,1148 3.143,1149 3.01,1150 4.806,1151 3.026,1152 3.188,1153 3.278,1154 3.052,1155 2.955,1156 4.675,1157 2.962,1158 3.115,1159 3.21,1160 2.992,1161 2.858,1162 4.334,1163 2.881,1164 3.023,1165 3.152,1166 2.809,1167 2.705,1168 4.164,1169 2.722,1170 0.145,1171 0.104,1172 0.214,1173 0.131,1174 0.1,1175 4.654,1176 0.144,1177 3.325,1178 0.027,1179 6.835,1180 0.351,1181 4.186,1182 0.098,1183 3.213,1184 4.616,1185 0.86,1186 11.231,1187 3.13,1188 1.998,1189 1.967,1190 2.061,1191 2.134,1192 1.229,1193 2.112,1194 1.895,1195 1.874,1196 1.96,1197 2.028,1198 1.098,1199 2.008,1200 1.496,1201 1.438,1202 1.67,1203 1.732,1204 0.756,1205 1.714,1206 1.48,1207 1.434,1208 1.642,1209 1.599,1210 0.694,1211 1.622,1212 1.365,1213 1.305,1214 1.571,1215 1.593,1216 0.581,1217 1.584,1218 1.207,1219 1.134,1220 1.553,1221 1.53,1222 0.561,1223 1.541,1224 1.159,1225 1.073,1226 1.464,1227 1.422,1228 0.547,1229 1.442,1230 1.002,1231 0.912,1232 1.268,1233 1.346,1234 0.183,1235 1.342,1236 4.174,1238 5.517,1239 2.398,1240 7.059,1241 4.443,1242 8.7,1243 6.293,1244 10.395,1246 3.515,1250 11.652,1251 10.503,1252 0.415,1253 3.227,1254 5.496,1262 32.267,1263 81.864,1264 204.177,1265 246.683,1266 256.683,1267 258.683,1268 258.683,1269 45.938,1270 7.692,1271 137.13,1272 137.13,1273 23,1274 12.711,1275 4.524,1276 3.585,1277 44.858,1278 122,1279 108,1280 0.182,1281 199.322,1282 329.7,1283 478.106,1284 23477,1286 20.543,1287 0.708,1288 0.553,1289 20.543,1290 16.048,1291 13.974,1292 0.437,1293 0.279,1294 8.763,1295 13.322,1296 8.519,1297 7.106,1298 13.974,1299 8.93,1300 12.751,1301 0.277,1302 0.143,1303 12.751,1304 6.559,1305 11.037,1306 0.175,1307 0.076,1308 11.037,1309 4.784,1310 9.57,1311 0.114,1312 0.039,1313 9.57,1314 3.261,1315 7.141,1316 0.07,1317 0.02,1318 7.141,1319 2.002,1320 0.288,1321 88.411,1322 0.218,1323 27.53,1324 0.494,1325 156,1326 463.423,1327 173.277,1328 453.244,1329 630.24,1330 424,1331 187,1332 480.576,1333 204.75,1334 489.014,1335 715.48,1336 458,1337 6.638}
{0 CHEMBL179319,1 1.458,2 9.182,3 2.232,4 4.982,5 88.896,6 7.36,7 0.708,8 3.791,9 3.938,10 3.346,11 3.302,12 4.953,13 3.289,14 4.268,15 4.469,16 3.701,17 3.671,18 5.385,19 3.638,20 4.444,21 4.633,22 3.779,23 3.83,24 5.489,25 3.778,26 4.616,27 4.848,28 3.735,29 3.859,30 5.684,31 3.761,32 4.689,33 4.969,34 3.513,35 3.802,36 5.627,37 3.676,38 4.532,39 4.815,40 3.342,41 3.672,42 5.427,43 3.519,44 4.368,45 4.652,46 3.257,47 3.51,48 5.264,49 3.377,50 4.201,51 4.479,52 3.084,53 3.319,54 5.203,55 3.199,56 0.042,57 0.654,58 8.344,59 2.985,60 10.339,61 4.352,62 0.22,63 0.984,64 14.762,65 5.172,66 21.825,67 7.505,68 0.096,69 1.162,70 17.182,71 6.009,72 12.804,73 8.93,74 0.26,75 1.263,76 21.793,77 7.641,78 34.415,79 11.326,80 0.31,81 1.229,82 25.308,83 7.141,84 42.192,85 11.348,86 0.266,87 1.03,88 21.597,89 7.245,90 31.999,91 10.966,92 0.146,93 0.874,94 18.338,95 6.039,96 23.869,97 9.338,98 0.194,99 0.754,100 15.434,101 4.464,102 28.604,103 7.049,104 17,105 34,106 0.258,107 0.641,108 0.773,109 0.825,110 0.837,111 0.837,112 3.147,113 0.874,114 -4.14,115 -4.09,116 -3.87,119 40,120 1,124 1,125 1,139 5,140 3,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 7,169 2,170 7,172 3,173 3,175 1,178 7,180 1,182 6,187 1,189 2,191 1,192 2,193 8,195 3,196 3,197 1,198 3,200 2,201 2,204 3,205 1,212 1,215 4,218 1,220 2,221 2,223 1,224 1,226 2,229 7,231 2,234 2,241 5,246 5,248 1,249 1,251 2,254 2,256 2,260 4,265 2,270 2,273 600,274 14.637,275 14.637,276 14.637,277 14.637,278 14.637,279 12.502,280 17.409,281 8.562,282 14.973,283 11.823,284 11.823,285 11.823,286 11.823,287 11.823,288 8.697,289 25.194,290 4.057,291 12.375,292 3.864,293 1.697,294 0.947,295 0.657,296 0.588,297 0.588,298 3.824,300 1,301 1,302 1,303 432,304 2.739,307 178.884,311 93.191,314 1.38,315 15.077,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47,327 202,328 4.656,329 3.337,330 6.837,331 4.19,332 3.217,333 4.616,334 0.916,335 11.242,336 3.134,337 4.074,338 3.052,339 6.069,340 3.756,341 2.809,342 3.558,343 0.172,344 8.741,345 2.661,346 3.872,347 2.649,348 5.753,349 3.447,350 2.489,351 3.39,353 7.692,354 2.387,355 3.455,356 2.196,357 5.097,358 2.992,359 2.053,360 2.861,362 5.92,363 1.921,364 3.394,365 2.052,366 5.01,367 2.907,368 1.984,369 2.719,371 5.797,372 1.826,373 3.086,374 1.86,375 4.372,376 2.698,377 1.73,378 2.276,380 4.113,381 1.67,382 2.705,383 1.557,384 4.09,385 2.298,386 1.342,387 1.776,389 3.403,390 1.28,391 2.5,392 1.141,393 3.467,394 2.008,395 1.043,396 1.5,398 2.495,399 1.003,400 2.381,401 1,402 3.247,403 2,404 1,405 1.351,407 2.136,408 1,409 1.584,410 0.576,411 3,412 1.238,413 0.295,414 0.36,415 0.718,416 0.277,417 1.196,418 0.112,419 2.822,420 0.838,421 -0.111,422 -0.137,423 -0.289,424 -0.105,425 0.969,426 -0.252,427 2.642,428 0.522,429 -0.399,430 -0.519,431 -1.074,432 -0.366,433 0.692,434 -0.36,435 2.353,436 0.312,437 -0.623,438 -0.721,439 -1.505,440 -0.579,441 0.526,442 -0.61,443 2,444 0.204,445 -0.757,446 -0.964,448 -1.645,449 -0.728,450 0.5,451 -0.761,452 1.696,454 -0.937,455 -1.157,457 -2.347,458 -0.861,459 10.4,460 0.473,461 0.613,462 0.028,463 32.25,464 1.466,465 17.5,466 0.795,467 14.75,468 0.67,469 14.901,470 0.677,471 23.2,472 0.58,473 22.126,474 1.006,475 6.467,476 0.294,477 4.092,478 0.186,479 0.173,481 0.375,485 1.125,486 1.363,487 0.838,488 1.019,489 1.289,490 0.909,491 0.736,492 0.839,493 0.733,494 0.794,495 0.44,496 0.768,497 1.052,498 1.363,499 0.994,500 1.184,501 0.854,502 1.098,503 0.67,504 1.146,505 1.037,506 1.261,507 0.581,508 1.211,509 1.382,510 0.903,511 1.187,512 0.936,513 1.301,514 1.018,515 0.777,516 0.803,517 1.03,518 1.009,519 0.934,520 1.048,521 0.782,522 0.982,523 0.863,524 0.968,525 0.79,526 0.934,527 1.207,528 0.929,529 1.107,530 0.959,531 1.301,532 1.009,533 4.5,534 0.062,535 2.667,536 2.063,537 1.6,538 0.674,539 0.426,540 0.286,541 0.188,542 0.086,543 4764,544 12298,545 2.043,546 45,547 3,548 10,550 1,551 4,555 1.645,556 1.886,557 3.165,558 1.87,559 1,560 1,562 1,564 58.309,565 1.458,566 3.625,567 4.375,568 4.665,569 4.734,570 4.734,571 2.681,572 4.096,573 4.432,574 3.283,575 758.424,576 7.615,577 8147.61,578 1,579 1,581 1,582 212.877,583 1.495,584 4.376,585 0.188,586 0.009,587 0.078,588 0.057,589 0.05,590 0.027,591 0.02,592 0.014,593 0.012,594 0.007,595 0.463,596 0.5,597 1,598 0.65,599 100.289,600 -0.151,601 -0.142,602 0.028,603 0.007,604 -0.282,605 0.037,606 0.286,607 0.284,608 0.191,609 0.204,610 0.316,611 0.187,612 -0.13,613 -0.247,614 -0.095,615 -0.169,616 -0.098,617 -0.134,618 0.259,619 -0.126,620 -0.095,621 -0.267,622 0.273,623 -0.238,624 -0.295,625 0.049,626 -0.186,627 -0.001,628 -0.258,629 -0.065,630 0.077,631 0.101,632 -0.045,633 -0.013,634 -0.062,635 -0.041,636 0.027,637 -0.101,638 0.128,639 0.038,640 0.058,641 0.087,642 -0.136,643 0.017,644 -0.104,645 -0.02,646 -0.154,647 -0.051,648 1.522,649 1.984,650 0.727,651 16.182,652 0.998,653 1.137,654 2.913,655 8.483,656 0.665,657 3.219,658 3.555,659 3.829,660 4.094,661 4.29,662 4.304,663 4.357,664 4.419,665 4.5,666 4.407,667 5.329,668 0.632,669 294.4,670 3.219,671 4.762,672 5.617,673 6.503,674 7.373,675 8.264,676 9.142,677 10.036,678 10.918,679 11.813,680 15,684 2,686 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,714 1,718 40,719 17,720 1,721 24,723 42,724 16,725 13,726 1,727 5,729 3,730 4,734 1,741 13,742 3,753 1,754 1,757 18,758 6,759 4,760 6,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 2,810 22,811 2,816 1,821 1,836 11.667,837 7.717,838 4.806,839 2.153,840 3.253,841 1.475,842 1.009,843 3.818,844 10.108,845 3.512,846 4.174,847 4.8,848 5.417,849 5.986,850 6.236,851 6.573,852 6.933,853 7.311,854 7.359,855 1,856 36,857 8.05,859 3.341,860 7.689,861 15.335,863 12.267,865 2.189,866 48.167,870 164.795,871 93.399,872 119.275,877 93.399,878 164.795,879 119.275,880 17.222,881 2.106,882 113.176,883 62.128,884 25.588,885 4.227,886 153.024,888 164.795,889 212.674,893 166.511,897 21.877,898 138.725,899 50.357,901 164.795,902 119.275,903 93.399,906 164.795,907 19.749,908 76.775,910 116.151,911 164.795,912 119.275,913 93.399,915 0.587,916 0.349,917 0.192,918 0.101,919 17,920 8,921 0.071,922 3,923 1,924 1.125,925 3.362,926 173.802,927 0.125,928 16,929 94.107,933 14.544,934 5.776,935 2.837,936 1.307,937 119.275,938 12.007,939 12.542,943 3.774,945 65.794,946 377.47,947 32.5,956 39.912,957 45.481,958 0.274,959 0.681,960 0.822,961 0.877,962 0.89,963 0.89,964 4.738,965 1.043,966 5.617,967 3.403,968 4.234,969 4.86,970 0.918,971 6.447,972 4.147,973 5.972,974 1,975 7.192,976 2.495,977 3.892,978 4.745,979 0.325,980 7.391,981 3.758,982 7.294,983 0.295,984 8.869,985 2.136,986 5.844,987 7.148,988 0.671,989 10.517,990 5.679,991 8.654,992 -0.111,993 10.606,994 0.718,995 6.293,996 7.851,997 0.393,998 12.291,999 6.096,1000 10.046,1001 -0.399,1002 12.381,1003 -0.289,1004 7.749,1005 9.748,1006 0.533,1007 14.953,1008 7.523,1009 11.461,1010 -0.623,1011 14.182,1012 -1.074,1013 8.571,1014 10.864,1015 0.384,1016 17.085,1017 8.321,1018 12.896,1019 -0.757,1020 16.004,1021 -1.505,1022 9.831,1023 12.544,1024 0.438,1025 19.585,1026 9.554,1027 3.217,1028 -0.937,1029 17.842,1030 -1.645,1031 10.831,1032 13.873,1033 0.351,1034 21.876,1035 10.531,1036 2.809,1037 11.242,1038 19.693,1039 -2.347,1040 12.015,1041 15.46,1042 0.366,1043 24.318,1044 11.691,1045 2.489,1046 8.741,1047 21.553,1048 4.616,1049 13.097,1050 16.894,1051 0.312,1052 26.679,1053 12.75,1054 2.053,1055 7.692,1056 23.423,1057 3.558,1058 14.256,1059 18.443,1060 0.309,1061 29.102,1062 13.886,1063 1.984,1064 5.92,1065 25.3,1066 3.39,1067 15.376,1068 19.927,1069 0.273,1070 31.494,1071 14.983,1072 1.73,1073 5.797,1074 27.183,1075 2.861,1076 16.529,1077 21.462,1078 0.262,1079 33.912,1080 16.113,1081 1.342,1082 4.113,1083 29.071,1084 2.719,1085 17.668,1086 22.97,1087 0.236,1088 36.318,1089 17.23,1090 4659,1091 7610,1092 15.72,1093 26.603,1094 36.33,1095 36.039,1096 37.217,1097 35.983,1098 35.923,1099 48.816,1100 2.178,1101 104.514,1102 34.318,1103 5.484,1104 5.337,1105 6.639,1106 5.265,1107 5.217,1108 7.616,1109 1.605,1110 18.517,1111 5.134,1112 11.201,1113 1.514,1114 1.502,1115 1.551,1116 1.499,1117 1.497,1118 2.034,1119 0.091,1120 4.355,1121 1.43,1122 4.074,1123 4.115,1124 4.049,1125 3.962,1126 5.321,1127 3.978,1128 3.899,1129 3.938,1130 3.833,1131 3.82,1132 4.981,1133 3.818,1134 3.561,1135 3.628,1136 3.485,1137 3.377,1138 4.817,1139 3.397,1140 3.325,1141 3.417,1142 3.18,1143 3.099,1144 4.753,1145 3.106,1146 3.162,1147 3.261,1148 3.049,1149 2.928,1150 4.229,1151 2.939,1152 3.023,1153 3.153,1154 2.816,1155 2.735,1156 4.071,1157 2.724,1158 2.877,1159 2.986,1160 2.687,1161 2.706,1162 3.995,1163 2.715,1164 2.854,1165 2.925,1166 2.679,1167 2.632,1168 3.674,1169 2.636,1170 0.194,1171 0.139,1172 0.285,1173 0.175,1174 0.134,1175 4.656,1176 0.192,1177 3.337,1178 0.038,1179 6.837,1180 0.468,1181 4.19,1182 0.131,1183 3.217,1184 4.616,1185 0.916,1186 11.242,1187 3.134,1188 2,1189 1.969,1190 2.072,1191 2.135,1192 1.242,1193 2.115,1194 1.887,1195 1.854,1196 2.001,1197 1.994,1198 1.078,1199 2,1200 1.502,1201 1.438,1202 1.692,1203 1.722,1204 0.803,1205 1.719,1206 1.292,1207 1.201,1208 1.581,1209 1.556,1210 0.564,1211 1.574,1212 1.12,1213 1.029,1214 1.447,1215 1.4,1216 0.535,1217 1.409,1218 0.946,1219 0.827,1220 1.263,1221 1.337,1222 0.218,1223 1.341,1224 0.886,1225 0.821,1226 1.199,1227 1.164,1228 0.177,1229 1.194,1230 0.863,1231 0.757,1232 1.181,1233 1.062,1234 0.104,1235 1.107,1236 3.892,1238 5.22,1240 6.756,1242 8.39,1244 10.075,1246 4.051,1250 11.603,1252 0.725,1257 2.157,1262 25.289,1263 58.309,1264 145.003,1265 175.003,1266 186.612,1267 189.367,1268 189.367,1269 27.624,1270 6.855,1271 93.95,1272 93.95,1273 18,1274 12.341,1275 4.17,1276 3.248,1277 34.473,1278 70,1279 68,1280 0.246,1281 159.414,1282 260.46,1283 380.731,1284 7812,1286 15.69,1287 0.713,1288 0.573,1289 15.69,1290 12.615,1291 10.559,1292 0.44,1293 0.291,1294 6.895,1295 10.188,1296 6.642,1297 5.584,1298 10.559,1299 6.994,1300 9.699,1301 0.285,1302 0.155,1303 9.699,1304 5.266,1305 8.069,1306 0.179,1307 0.083,1308 8.069,1309 3.739,1310 6.995,1311 0.119,1312 0.043,1313 6.995,1314 2.522,1315 5.278,1316 0.073,1317 0.022,1318 5.278,1319 1.608,1320 0.379,1321 65.859,1322 0.252,1323 21.503,1324 0.697,1325 116,1326 307.205,1327 126.241,1328 310.167,1329 434.83,1330 290,1331 137,1332 334.254,1333 147.325,1334 344.596,1335 500.91,1336 322,1337 7.745}
{0 CHEMBL180476,1 1.431,2 12.516,3 4.279,4 18.311,5 127.56,6 7.061,7 0.647,8 4.17,9 4.322,10 3.688,11 3.672,12 5.284,13 3.649,14 4.671,15 4.881,16 4.069,17 4.067,18 5.707,19 4.026,20 4.841,21 5.024,22 4.203,23 4.247,24 5.857,25 4.198,26 5.079,27 5.29,28 4.238,29 4.366,30 6.119,31 4.279,32 5.278,33 5.556,34 4.043,35 4.391,36 6.167,37 4.246,38 5.216,39 5.521,40 3.783,41 4.268,42 5.999,43 4.066,44 5.047,45 5.379,46 3.649,47 4.045,48 5.769,49 3.852,50 4.722,51 5.004,52 3.68,53 3.904,54 5.58,55 3.786,56 0.1,57 0.953,58 13.147,59 4.646,60 15.403,61 6.92,62 0.272,63 1.452,64 23.114,65 8.089,66 29.047,67 12.053,68 0.147,69 1.756,70 26.596,71 9.185,72 18.325,73 13.983,74 0.371,75 2.081,76 34.927,77 11.652,78 45.425,79 17.746,80 0.576,81 2.201,82 45.741,83 13.273,84 63.843,85 21.255,86 0.47,87 1.904,88 43.681,89 14.697,90 57.986,91 22.642,92 0.397,93 1.535,94 37.854,95 12.387,96 48.629,97 19.391,98 0.256,99 1.275,100 26.04,101 8.476,102 31.196,103 13.188,104 50,105 50,106 0.231,107 0.577,108 0.687,109 0.719,110 0.759,111 0.792,112 3.472,113 0.899,114 -5.16,115 -5.06,116 -4.73,119 39,120 5,125 1,139 2,140 7,141 2,142 1,144 1,146 1,147 1,148 2,157 2,158 2,159 2,164 1,166 10,169 2,170 8,172 3,173 3,175 4,178 9,180 1,182 7,187 9,189 8,191 1,192 1,193 7,195 3,196 4,197 1,198 12,200 2,201 10,204 3,205 1,210 2,212 5,215 12,218 1,224 3,225 1,226 2,228 1,229 10,231 2,234 2,237 2,238 1,239 2,240 1,241 10,246 5,250 1,251 2,253 1,254 10,260 7,264 1,265 2,267 1,268 4,270 2,273 1469,274 20.466,275 20.466,276 20.466,277 20.466,278 20.466,279 17.508,280 22.246,281 11.625,282 20.864,283 16.661,284 16.661,285 16.661,286 16.661,287 16.661,288 12.339,289 25.696,290 5.414,291 17.325,292 4.452,293 2.313,294 1.631,295 1.434,296 1.183,297 0.979,298 4.159,301 1,302 1,303 841,304 3.082,306 92.481,307 282.502,311 151.306,314 1.694,315 20.388,318 0.75,319 0.83,320 0.83,321 0.7,322 0.5,323 0.83,324 1,325 0.78,326 66,327 388,328 4.686,329 3.499,330 7.019,331 4.305,332 3.323,333 4.616,334 0.522,335 11.828,336 3.265,337 4.654,338 3.311,339 6.835,340 4.184,341 3.211,342 4.458,344 11.23,345 3.129,346 4.036,347 2.851,348 6.251,349 3.638,350 2.687,351 3.583,353 9.138,354 2.552,355 3.905,356 2.733,357 5.8,358 3.498,359 2.541,360 3.41,362 7.853,363 2.432,364 3.637,365 2.579,366 5.791,367 3.303,368 2.303,369 3,371 7.292,372 2.303,373 3.456,374 2.23,375 5.118,376 3.02,377 2.071,378 2.861,380 5.919,381 1.975,382 3.44,383 2.141,384 5.096,385 2.977,386 2.025,387 2.807,389 5.8,390 1.911,391 3.385,392 2.051,393 5.009,394 2.903,395 1.978,396 2.71,398 5.765,399 1.822,400 2.716,401 1.718,402 4.26,403 2.401,404 1.443,405 1.785,407 3.617,408 1.379,409 2.549,410 1.422,411 3.951,412 2.218,413 1.26,414 1.563,415 2.994,416 1.204,417 2.342,418 1.176,419 3.618,420 2.002,421 1.036,422 1.313,423 2.369,424 0.998,425 2.118,426 1.146,427 3.495,428 1.618,429 0.618,430 0.927,431 1.464,432 0.618,433 1.781,434 0.838,435 3.227,436 1.591,437 0.618,438 0.686,439 1.372,440 0.6,441 1.726,442 0.618,443 3,444 1.462,445 0.512,446 0.593,448 1.279,449 0.485,450 1.379,451 0.341,452 2.915,453 1.036,454 0.083,455 0.101,457 0.209,458 0.078,459 14.7,460 0.474,461 0.967,462 0.031,463 41.75,464 1.347,465 21.5,466 0.694,467 20.25,468 0.653,469 29.804,470 0.961,471 33.3,472 0.564,473 31.479,474 1.015,475 8.231,476 0.266,477 6.559,478 0.212,479 0.224,481 0.435,485 1.089,486 1.285,487 0.883,488 1.024,489 1.275,490 0.942,491 0.736,492 0.917,493 0.681,494 0.791,495 0.472,496 0.739,497 1.056,498 1.413,499 0.958,500 1.173,501 0.817,502 1.072,503 0.986,504 1.318,505 1.17,506 1.328,507 0.667,508 1.283,509 1.37,510 0.92,511 1.254,512 1.019,513 1.211,514 1.105,515 0.725,516 0.865,517 1.04,518 1.07,519 0.813,520 1.092,521 0.558,522 0.715,523 0.731,524 0.793,525 0.604,526 0.786,527 0.871,528 0.846,529 0.834,530 0.826,531 0.755,532 0.825,533 6,534 0.257,535 4.444,536 3.653,537 2.906,538 1.153,539 0.642,540 0.39,541 0.356,542 0.34,543 13223,544 31846,545 2.027,546 47.5,547 15,548 4,549 2,550 1,551 6,555 1.734,556 1.842,557 3.547,558 3.211,560 1,564 84.428,565 1.431,566 3.569,567 4.252,568 4.449,569 4.7,570 4.903,571 2.994,572 4.325,573 4.93,574 3.744,575 1740.89,576 8.593,577 24823.9,579 1,582 347.076,583 1.541,584 4.855,585 0.176,586 0.009,587 0.089,588 0.065,589 0.054,590 0.027,591 0.021,592 0.013,593 0.011,594 0.011,595 0.477,597 1,598 0.645,599 161.555,600 -0.057,601 -0.022,602 0.036,603 0.041,604 -0.244,605 0.049,606 0.249,607 0.211,608 0.27,609 0.245,610 0.305,611 0.258,612 -0.094,613 -0.239,614 -0.029,615 -0.12,616 -0.046,617 -0.074,618 0.054,619 -0.198,620 -0.219,621 -0.319,622 0.173,623 -0.307,624 -0.254,625 0.067,626 -0.256,627 -0.075,628 -0.241,629 -0.151,630 0.075,631 0.005,632 -0.055,633 -0.074,634 -0.022,635 -0.081,636 0.214,637 0.084,638 0.273,639 0.191,640 0.178,641 0.232,642 0.015,643 0.095,644 0.148,645 0.173,646 0.068,647 0.178,648 1.538,649 2.065,650 0.677,651 28.077,652 0.994,653 1.138,654 3.933,655 15.467,656 0.655,657 3.555,658 3.932,659 4.263,660 4.543,661 4.7,662 4.771,663 4.796,664 4.828,665 4.86,666 4.905,667 7.249,668 0.618,669 416.59,670 3.555,671 5.13,672 6.014,673 6.921,674 7.816,675 8.726,676 9.626,677 10.536,678 11.438,679 12.348,680 13.6,682 1,684 2,685 1,688 1,690 3,694 2,695 5,696 3,700 10,701 1,702 22,711 2,718 59,719 22,720 1,721 34,723 62,724 23,725 17,726 6,729 4,730 5,734 5,741 17,742 6,754 1,757 28,758 7,759 6,760 8,764 8,768 1,769 0.75,775 1,776 1,777 1,780 1,781 3,785 1,802 3,806 5,810 31,811 2,816 1,817 2,836 16.833,837 12.133,838 6.722,839 3.333,840 3.97,841 1.51,842 1.013,843 5.67,844 11.754,845 3.829,846 4.535,847 5.195,848 5.82,849 6.325,850 6.661,851 6.949,852 7.241,853 7.52,854 7.583,855 1,856 56,857 11.375,859 4.749,860 7.613,861 21.887,863 17.792,865 2.113,866 65.5,869 1,870 258.964,871 125.469,872 153.827,877 125.469,878 258.964,879 153.827,880 44.126,881 2.106,882 120.73,883 80.016,884 39.862,885 27.769,886 223.651,888 258.964,889 279.295,893 260.68,897 76.966,898 132.37,899 68.245,901 258.964,902 153.827,903 125.469,906 258.964,907 35.248,908 92.12,909 35.776,910 116.151,911 258.964,912 153.827,913 125.469,915 0.598,916 0.373,917 0.207,918 0.101,919 25,920 13,921 0.081,922 5,923 1,924 1.095,925 4.084,926 286.51,927 0.095,928 21,929 141.58,933 21.253,934 8.27,935 3.763,936 1.251,937 151.927,938 10.048,939 12.657,943 9.701,944 2.172,945 101.571,946 538.259,947 45,956 58.65,957 67.138,958 0.243,959 0.607,960 0.723,961 0.756,962 0.799,963 0.834,964 5.091,965 1.978,966 6.038,967 5.8,968 4.615,969 5.223,970 0.434,971 6.925,972 4.544,973 6.351,974 1.443,975 7.655,976 5.765,977 4.369,978 5.247,980 7.978,981 4.28,982 7.702,983 1.26,984 9.373,985 3.617,986 6.286,987 7.559,988 0.138,989 11.137,990 6.158,991 9.093,992 1.036,993 11.15,994 2.994,995 6.847,996 8.391,998 12.994,999 6.712,1000 10.513,1001 0.618,1002 12.962,1003 2.369,1004 8.265,1005 10.201,1006 0.039,1007 15.697,1008 8.097,1009 11.956,1010 0.618,1011 14.799,1012 1.464,1013 9.177,1014 11.398,1016 17.887,1017 9.001,1018 13.417,1019 0.512,1020 16.655,1021 1.372,1022 10.429,1023 13.023,1024 0.011,1025 20.434,1026 10.226,1027 3.323,1028 0.083,1029 18.524,1030 1.279,1031 11.494,1032 14.392,1034 22.769,1035 11.28,1036 3.211,1037 11.828,1038 20.405,1039 0.209,1040 12.691,1041 15.946,1042 0.003,1043 25.257,1044 12.456,1045 2.687,1046 11.23,1047 22.294,1048 4.616,1049 13.822,1050 17.394,1052 27.656,1053 13.573,1054 2.541,1055 9.138,1056 24.191,1057 4.458,1058 15.005,1059 18.923,1060 0.001,1061 30.121,1062 14.737,1063 2.303,1064 7.853,1065 26.094,1066 3.583,1067 16.166,1068 20.407,1070 32.549,1071 15.881,1072 2.071,1073 7.292,1074 28.002,1075 3.41,1076 17.346,1077 21.926,1079 35.006,1080 17.043,1081 2.025,1082 5.919,1083 29.914,1084 3,1085 18.52,1086 23.427,1088 37.448,1089 18.2,1090 12575,1091 19711,1092 21.907,1093 38.66,1094 51.918,1095 51.948,1096 54.586,1097 51.459,1098 51.416,1099 68.826,1100 1.043,1101 156.257,1102 49.504,1103 5.565,1104 5.499,1105 6.613,1106 5.38,1107 5.323,1108 7.616,1109 1.043,1110 19.828,1111 5.265,1112 19.071,1113 1.527,1114 1.528,1115 1.605,1116 1.514,1117 1.512,1118 2.024,1119 0.031,1120 4.596,1121 1.456,1122 4.099,1123 4.139,1124 4.065,1125 4.003,1126 5.322,1127 4.012,1128 4.042,1129 4.08,1130 4.013,1131 3.939,1132 4.982,1133 3.953,1134 3.803,1135 3.851,1136 3.735,1137 3.692,1138 4.878,1139 3.697,1140 3.569,1141 3.642,1142 3.496,1143 3.369,1144 4.808,1145 3.393,1146 3.366,1147 3.441,1148 3.193,1149 3.243,1150 4.635,1151 3.222,1152 3.3,1153 3.399,1154 3.175,1155 3.078,1156 4.309,1157 3.08,1158 3.176,1159 3.271,1160 3.05,1161 2.975,1162 4.126,1163 2.97,1164 3.123,1165 3.228,1166 2.943,1167 2.838,1168 4.048,1169 2.867,1170 0.138,1171 0.103,1172 0.206,1173 0.127,1174 0.098,1175 4.686,1176 0.136,1177 3.499,1178 0.015,1179 7.019,1180 0.348,1181 4.305,1182 0.096,1183 3.323,1184 4.616,1185 0.522,1186 11.828,1187 3.265,1188 2.003,1189 1.975,1190 2.089,1191 2.134,1192 1.307,1193 2.113,1194 1.985,1195 1.957,1196 2.052,1197 2.083,1198 1.219,1199 2.081,1200 1.503,1201 1.438,1202 1.704,1203 1.76,1204 0.807,1205 1.737,1206 1.48,1207 1.437,1208 1.67,1209 1.647,1210 0.764,1211 1.638,1212 1.425,1213 1.361,1214 1.659,1215 1.593,1216 0.709,1217 1.628,1218 1.399,1219 1.331,1220 1.614,1221 1.583,1222 0.694,1223 1.622,1224 1.215,1225 1.119,1226 1.541,1227 1.511,1228 0.581,1229 1.52,1230 1.159,1231 1.067,1232 1.523,1233 1.409,1234 0.561,1235 1.453,1236 4.234,1238 5.595,1239 2.398,1240 7.155,1241 4.443,1242 8.82,1243 6.293,1244 10.541,1246 10.601,1250 11.75,1252 0.564,1253 6.755,1262 36.439,1263 84.428,1264 210.595,1265 250.863,1266 262.473,1267 277.302,1268 289.302,1269 46.067,1270 7.784,1271 119.7,1272 119.7,1273 23,1274 12.865,1275 4.524,1276 3.585,1277 49.68,1278 139,1279 125,1280 0.177,1281 226.901,1282 375.02,1283 545.399,1284 26885,1286 22.284,1287 0.719,1288 0.598,1289 22.284,1290 18.537,1291 14.791,1292 0.435,1293 0.3,1294 10.063,1295 14.29,1296 9.587,1297 8.081,1298 14.791,1299 10.189,1300 13.741,1301 0.275,1302 0.157,1303 13.741,1304 7.867,1305 12.22,1306 0.175,1307 0.087,1308 12.22,1309 6.075,1310 10.478,1311 0.113,1312 0.044,1313 10.478,1314 4.09,1315 7.452,1316 0.068,1317 0.023,1318 7.452,1319 2.477,1320 0.281,1321 92.121,1322 0.214,1323 29.153,1324 0.474,1325 168,1326 417.871,1327 181.682,1328 421.957,1329 601.26,1330 396,1331 204,1332 473.333,1333 218.571,1334 486.169,1335 711.97,1336 456,1337 6.77}
{0 CHEMBL180585,1 1.626,2 7.813,3 1.185,4 1.405,5 63.458,6 7.724,7 0.706,8 3.451,9 3.585,10 3.032,11 2.926,12 4.689,13 2.938,14 3.873,15 4.035,16 3.322,17 3.23,18 5.112,19 3.218,20 4.031,21 4.22,22 3.292,23 3.261,24 5.218,25 3.221,26 4.013,27 4.238,28 3.006,29 3.107,30 5.096,31 3.023,32 3.912,33 4.187,34 2.816,35 2.963,36 4.944,37 2.877,38 3.665,39 3.902,40 2.808,41 2.885,42 4.697,43 2.817,44 3.58,45 3.809,46 2.712,47 2.804,48 4.751,49 2.739,50 3.543,51 3.843,52 2.343,53 2.579,54 4.543,55 2.449,56 0.062,57 0.437,58 5.525,59 2.047,60 10.488,61 2.743,62 0.183,63 0.613,64 9.314,65 3.606,66 18.983,67 4.655,68 0.274,69 0.65,70 11.621,71 3.794,72 23.725,73 5.351,74 0.23,75 0.577,76 12.376,77 4.011,78 28.511,79 5.563,80 0.283,81 0.509,82 12.085,83 3.053,84 32.249,85 4.719,86 0.129,87 0.44,88 8.746,89 2.878,90 14.271,91 4.205,92 0.11,93 0.443,94 7.376,95 2.02,96 16.435,97 3.221,98 0.122,99 0.361,100 8.264,101 2.187,102 16.807,103 3.647,104 5,105 22,106 0.317,107 0.651,108 0.74,109 0.821,110 0.84,111 0.84,112 2.851,113 0.847,114 -2.94,115 -2.94,116 -2.84,119 39.3,125 1,139 5,140 1,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 1,172 3,173 3,178 6,181 2,182 2,184 1,185 1,189 3,193 2,195 1,196 1,197 1,200 2,205 1,207 3,209 1,210 1,212 1,218 1,221 4,226 2,231 2,234 4,239 3,243 3,246 2,251 3,256 3,265 2,270 2,273 250,274 10.776,275 10.776,276 10.776,277 10.776,278 10.776,279 9.196,280 12.1,281 6.591,282 11.07,283 8.394,284 8.394,285 8.394,286 8.394,287 8.394,288 6.157,289 15.316,290 3.162,291 8.885,292 3.181,293 1.469,294 1.013,295 0.598,296 0.5,297 0.5,298 3.505,301 1,302 1,303 261,304 2,307 106.147,314 1.109,315 13.196,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 35,327 125,328 4.232,329 3.131,330 6.06,331 3.787,332 2.86,333 3.88,334 1.151,335 8.711,336 2.647,337 3.891,338 2.738,339 5.337,340 3.494,341 2.506,342 3.442,344 6.956,345 2.475,346 3.46,347 2.314,348 4.955,349 3.02,350 2.114,351 2.775,353 5.801,354 1.91,355 2.939,356 1.803,357 4.176,358 2.517,359 1.559,360 2.107,362 3.792,363 1.498,364 2.83,365 1.537,366 3.634,367 2.353,368 1.414,369 1.962,371 3.122,372 1.317,373 2.5,374 1.058,375 3.247,376 2,377 1,378 1.5,380 2.136,381 1,382 1.962,383 1,384 3.166,385 1.627,386 0.741,387 0.878,389 1.691,390 0.651,391 1.26,392 0.335,393 2.477,394 0.913,400 0.799,401 -0.314,402 2.359,403 0.393,404 -0.514,405 -0.621,407 -1.242,408 -0.466,409 0.69,410 -0.389,411 1.922,412 0.299,413 -0.66,414 -0.833,415 -1.463,416 -0.632,417 0.5,418 -0.87,419 1.555,421 -1,422 -1.44,423 -2.347,424 -1,425 0.15,426 -1,427 1.374,428 -0.201,429 -1.126,430 -1.5,431 -2.919,432 -1.029,433 -0.15,434 -1.253,435 1.134,436 -0.461,437 -1.414,438 -1.856,439 -4.015,440 -1.328,441 -0.241,442 -1.383,443 1,444 -0.629,445 -1.549,446 -2.038,448 -4.067,449 -1.426,450 -0.5,451 -1.508,452 0.781,453 -1,454 -1.93,455 -2.256,457 -4.789,458 -1.743,459 7.433,460 0.465,461 0.332,462 0.021,463 24,464 1.5,465 13.5,466 0.844,467 10.5,468 0.656,469 7.837,470 0.49,471 17.167,472 0.613,473 14.347,474 0.897,475 4.982,476 0.311,477 2.772,478 0.173,479 0.108,481 0.269,485 1.101,486 1.23,487 0.816,488 0.98,489 1.335,490 0.852,491 0.97,492 0.922,493 0.846,494 1.052,495 0.644,496 0.969,497 0.988,498 1.116,499 1.043,500 1.167,501 0.803,502 1.129,503 1.278,504 1.061,505 1.149,506 1.227,507 0.98,508 1.202,509 1.266,510 0.628,511 1.079,512 0.662,513 1.285,514 0.796,515 0.955,516 1.076,517 0.789,518 0.883,519 0.678,520 0.839,521 0.969,522 1.31,523 1.209,524 1.135,525 1.344,526 1.173,527 0.723,528 1.018,529 0.969,530 0.93,531 0.953,532 0.962,533 3,534 0.012,535 1.556,536 0.625,537 0.604,538 0.347,539 0.122,540 0.134,541 0.102,542 0.03,543 2073,544 6091,545 2.03,546 42.9,548 7,550 1,551 4,555 1.545,556 1.92,557 2.981,558 2.198,560 1,562 1,564 45.533,565 1.626,566 3.339,567 3.794,568 4.209,569 4.307,570 4.307,571 2.43,572 3.203,573 3.975,574 3.066,575 367.906,576 6.664,577 3232.08,579 1,582 134.606,583 1.299,584 3.94,585 0.176,586 0.012,587 0.071,588 0.031,589 0.043,590 0.029,591 0.009,592 0.012,593 0.015,594 0.01,595 0.409,596 0.5,597 1,598 0.625,599 65.401,600 -0.193,601 -0.024,602 -0.001,603 0.042,604 -0.353,605 0.066,606 0.125,607 0.171,608 0.038,609 -0.033,610 0.179,611 -0.031,612 0.169,613 -0.094,614 -0.113,615 -0.191,616 0.086,617 -0.2,618 -0.072,619 -0.162,620 -0.16,621 -0.251,622 0.01,623 -0.238,624 -0.148,625 0.272,626 -0.041,627 0.243,628 -0.175,629 0.151,630 -0.061,631 -0.171,632 0.181,633 0.138,634 0.109,635 0.181,636 -0.245,637 -0.228,638 -0.305,639 -0.228,640 -0.293,641 -0.263,642 -0.05,643 -0.137,644 0.045,645 -0.01,646 0.004,647 0.033,648 1.524,649 1.972,650 0.75,651 9.172,652 1.01,653 1.138,654 1.708,655 2.917,656 0.662,657 2.89,658 3.135,659 3.296,660 3.434,661 3.584,662 3.401,663 3.258,664 3.332,665 3.332,666 3.219,667 4.661,668 0.64,669 216.27,670 2.89,671 4.369,672 5.165,673 5.989,674 6.799,675 7.626,676 8.441,677 9.27,678 10.088,679 10.917,680 14.3,684 2,690 2,695 6,696 2,700 4,702 12,711 2,716 1,718 28,719 12,720 1,721 17,723 29,724 11,725 10,726 1,727 5,729 2,730 2,741 10,742 1,754 1,757 12,758 5,759 4,760 5,764 4,769 1,770 1,776 1,781 2,802 2,810 16,811 2,816 1,818 1,829 3.6,834 1,836 8.333,837 4.733,838 3.611,839 1.39,840 2.181,841 1.378,842 0.98,843 3.219,844 7.947,845 3.178,846 3.738,847 4.22,848 4.677,849 5.15,850 4.933,851 4.894,852 5.251,853 5.642,854 5.901,855 1,856 20,857 5.82,859 2.347,860 7.854,861 10.847,863 8.251,865 2.354,866 37.667,867 0.002,870 94.169,871 73.677,872 99.365,874 11,877 73.677,878 105.169,879 99.365,881 4.592,882 113.176,883 45.342,884 28.476,885 4.227,886 82.398,888 94.169,889 173.042,890 11,893 94.169,894 11,897 15.539,898 123.933,899 33.571,901 94.169,902 110.365,903 73.677,906 94.169,907 17.248,908 56.429,910 110.365,911 94.169,912 110.365,913 73.677,915 0.567,916 0.315,917 0.158,918 0.084,919 10,920 4,921 0.103,922 3,924 1,925 2.931,926 99.554,928 12,929 60,933 10.704,934 4.811,935 2.844,937 110.365,938 11.247,939 7.619,943 1.893,945 65.794,946 278.211,947 23,956 28.269,957 31.863,958 0.338,959 0.695,960 0.789,961 0.876,962 0.896,963 0.896,964 4.344,966 5.106,967 1.691,968 3.807,969 4.419,970 1.294,971 5.796,972 3.694,973 5.523,974 -0.514,975 6.592,977 3.219,978 4.007,980 6.447,981 3.046,982 6.792,983 -0.66,984 8.174,985 -1.242,986 5.283,987 6.543,988 1.506,989 9.468,990 5.058,991 8.095,992 -1,993 9.814,994 -1.463,995 5.485,996 6.899,998 10.937,999 5.184,1000 9.425,1001 -1.126,1002 11.49,1003 -2.347,1004 7.015,1005 8.911,1006 1.731,1007 13.446,1008 6.675,1009 10.775,1010 -1.414,1011 13.191,1012 -2.919,1013 7.609,1014 9.657,1016 15.268,1017 7.184,1018 12.141,1019 -1.549,1020 14.91,1021 -4.015,1022 8.887,1023 11.402,1024 1.968,1025 17.581,1026 8.423,1027 2.86,1028 -1.93,1029 16.644,1030 -4.067,1031 9.689,1032 12.373,1034 19.571,1035 9.134,1036 2.506,1037 8.711,1038 18.388,1039 -4.789,1040 10.842,1041 13.964,1042 2.214,1043 21.801,1044 10.243,1045 2.114,1046 6.956,1047 20.14,1048 3.88,1049 11.755,1050 15.074,1052 23.874,1053 11.063,1054 1.559,1055 5.801,1056 21.9,1057 3.442,1058 12.847,1059 16.571,1060 2.468,1061 26.067,1062 12.103,1063 1.414,1064 3.792,1065 23.665,1066 2.775,1067 13.82,1068 17.768,1070 28.183,1071 12.983,1072 1,1073 3.122,1074 25.435,1075 2.107,1076 14.884,1077 19.207,1078 2.727,1079 30.36,1080 13.986,1081 0.741,1082 2.136,1083 27.21,1084 1.962,1085 15.889,1086 20.461,1088 32.498,1089 14.9,1090 2095,1091 3683,1092 11.326,1093 18.523,1094 24.687,1095 24.82,1096 24.915,1097 24.418,1098 24.388,1099 33.087,1100 2.302,1101 64.418,1102 22.995,1103 5.055,1104 5.131,1105 5.862,1106 4.856,1107 4.86,1108 6.88,1109 2.302,1110 14.952,1111 4.647,1112 6.524,1113 1.452,1114 1.46,1115 1.466,1116 1.436,1117 1.435,1118 1.946,1119 0.135,1120 3.789,1121 1.353,1122 3.932,1123 3.966,1124 3.875,1125 3.851,1126 5.305,1127 3.847,1128 3.823,1129 3.873,1130 3.776,1131 3.64,1132 4.985,1133 3.675,1134 3.24,1135 3.299,1136 3.127,1137 3.025,1138 4.78,1139 3.034,1140 3.053,1141 3.171,1142 2.903,1143 2.755,1144 4.56,1145 2.786,1146 2.879,1147 2.989,1148 2.733,1149 2.735,1150 4.218,1151 2.715,1152 2.854,1153 2.925,1154 2.687,1155 2.575,1156 3.741,1157 2.605,1158 2.519,1159 2.602,1160 2.324,1161 2.267,1162 3.674,1163 2.26,1164 2.25,1165 2.398,1166 2.004,1167 1.791,1168 3.56,1169 1.816,1170 0.249,1171 0.184,1172 0.356,1173 0.223,1174 0.168,1175 4.232,1176 0.228,1177 3.131,1178 0.068,1179 6.06,1180 0.512,1181 3.787,1182 0.156,1183 2.86,1184 3.88,1185 1.151,1186 8.711,1187 2.647,1188 1.907,1189 1.879,1190 2.034,1191 2.013,1192 1.135,1193 2.014,1194 1.727,1195 1.683,1196 1.799,1197 1.937,1198 0.748,1199 1.91,1200 1.179,1201 1.123,1202 1.44,1203 1.45,1204 0.576,1205 1.441,1206 0.959,1207 0.854,1208 1.26,1209 1.34,1210 0.218,1211 1.334,1212 0.886,1213 0.821,1214 1.181,1215 1.151,1217 1.158,1218 0.801,1219 0.691,1220 1.128,1221 1.062,1223 1.107,1224 0.504,1225 0.414,1226 0.896,1227 0.784,1229 0.822,1230 0.152,1232 0.526,1233 0.575,1235 0.569,1236 3.555,1238 4.812,1240 6.267,1242 7.808,1244 9.386,1250 11.006,1252 0.429,1254 5.472,1262 17.908,1263 45.533,1264 93.487,1265 106.241,1266 117.851,1267 120.606,1268 120.606,1269 17.309,1270 5.765,1271 87.05,1272 87.05,1273 12,1274 11.493,1275 3.7,1276 2.807,1277 26.122,1278 45,1279 36,1280 0.293,1281 115.108,1282 189.29,1283 272.625,1284 1954,1286 11.38,1287 0.711,1288 0.539,1289 11.38,1290 8.629,1291 7.754,1292 0.456,1293 0.282,1294 4.718,1295 7.423,1296 4.625,1297 3.876,1298 7.754,1299 4.802,1300 6.737,1301 0.306,1302 0.148,1303 6.737,1304 3.252,1305 5.28,1306 0.203,1307 0.078,1308 5.28,1309 2.039,1310 4.083,1311 0.136,1312 0.041,1313 4.083,1314 1.245,1315 3.069,1316 0.088,1317 0.022,1318 3.069,1319 0.764,1320 0.455,1321 48.872,1322 0.297,1323 16.447,1324 0.803,1325 78,1326 247.65,1327 87.593,1328 242.112,1329 329.54,1330 226,1331 87,1332 243.426,1333 96.482,1334 247.274,1335 354.53,1336 231,1337 4.996}
{0 CHEMBL187570,1 1.706,2 8.652,3 3.023,4 9.137,5 98.464,6 10.802,7 0.68,8 3.775,9 3.9,10 3.663,11 3.383,12 4.967,13 3.333,14 4.248,15 4.417,16 4.118,17 3.784,18 5.409,19 3.698,20 4.396,21 4.544,22 4.21,23 3.957,24 5.508,25 3.847,26 4.563,27 4.749,28 4.167,29 3.97,30 5.697,31 3.834,32 4.65,33 4.898,34 4.109,35 3.92,36 5.652,37 3.754,38 4.521,39 4.784,40 4.125,41 3.835,42 5.468,43 3.633,44 4.321,45 4.538,46 4.149,47 3.761,48 5.336,49 3.522,50 4.2,51 4.448,52 3.838,53 3.532,54 5.276,55 3.29,56 0.054,57 0.611,58 3.272,59 3.249,60 10.677,61 3.767,62 0.241,63 0.938,64 11.481,65 6.269,66 24.097,67 7.134,68 0.111,69 1.114,70 23.12,71 8.062,72 14.028,73 8.149,74 0.278,75 1.243,76 19.763,77 9.063,78 33.818,79 10.108,80 0.303,81 1.285,82 39.114,83 10.492,84 43.055,85 11.046,86 0.289,87 1.077,88 25.049,89 9.581,90 34.328,91 11.081,92 0.172,93 0.94,94 48.675,95 10.387,96 24.021,97 9.342,98 0.305,99 0.814,100 38.59,101 8.451,102 31.593,103 7.993,104 27,105 36,106 0.303,107 0.683,108 0.828,109 0.868,110 0.868,111 0.868,112 3.189,113 0.968,114 -4.89,115 -4.8,116 -4.5,119 41,120 1,121 1,124 1,139 3,140 4,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 7,169 2,170 6,172 3,173 3,175 1,178 10,180 1,182 7,187 1,189 9,191 1,192 1,193 7,195 3,196 3,197 1,198 3,200 2,201 6,204 3,205 1,207 5,212 2,215 5,218 2,220 1,221 5,226 3,229 4,231 3,234 4,239 2,241 4,243 2,245 2,246 2,248 1,249 1,251 2,256 2,260 4,265 3,270 3,273 669,274 15.248,275 15.248,276 15.248,277 15.248,278 15.248,279 13.062,280 19.047,281 8.722,282 15.879,283 12.244,284 12.244,285 12.244,286 12.244,287 12.244,288 8.95,289 24.81,290 4.041,291 13.26,292 3.58,293 1.443,294 0.622,295 0.398,296 0.398,297 0.398,298 3.865,301 1,302 1,303 421,304 2.55,307 181.078,311 94.231,314 1.437,315 18.872,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48.9,327 199,328 4.657,329 3.356,330 6.838,331 4.193,332 3.219,333 4.617,334 0.86,335 11.245,336 3.141,337 4.268,338 3.163,339 6.198,340 3.86,341 2.902,342 3.912,343 0.68,344 9.262,345 2.774,346 3.882,347 2.72,348 5.766,349 3.453,350 2.503,351 3.394,353 7.744,354 2.375,355 3.477,356 2.616,357 5.097,358 2.994,359 2.129,360 2.861,362 5.926,363 1.908,364 3.449,365 2.232,366 5.01,367 2.932,368 2.039,369 2.798,371 5.808,372 1.82,373 3.368,374 2.061,375 4.954,376 2.892,377 1.974,378 2.682,380 5.765,381 1.519,382 2.877,383 1.878,384 4.421,385 2.5,386 1.533,387 2.01,389 4.168,390 1.476,391 2.69,392 1.497,393 4.145,394 2.255,395 1.299,396 1.76,398 3.385,399 1.238,400 1.892,401 1.119,402 3.205,403 1.56,404 0.681,405 0.796,407 1.333,408 0.546,409 1.629,410 0.649,411 2.894,412 1.285,413 0.361,414 0.44,415 0.784,416 0.321,417 1.202,418 0.328,419 2.821,420 0.839,421 -0.106,422 -0.132,423 -0.274,424 -0.078,425 1.076,426 0.117,427 2.66,428 0.693,429 -0.22,430 -0.265,431 -0.411,432 -0.101,433 0.937,434 -0.053,435 2.443,436 0.466,437 -0.377,438 -0.48,439 -0.991,440 -0.257,441 0.793,442 -0.301,443 2.309,444 0.346,445 -0.525,446 -0.635,448 -1.303,449 -0.446,450 0.479,451 -0.566,452 2,453 0.122,454 -0.808,455 -1.025,457 -2.114,458 -0.71,459 11.976,460 0.521,461 0.682,462 0.03,463 32.5,464 1.413,465 17.5,466 0.761,467 15,468 0.652,469 19.158,470 0.833,471 23.424,472 0.601,473 20.994,474 0.913,475 6.175,476 0.268,477 4.815,478 0.209,479 0.287,481 0.376,485 1.045,486 1.123,487 0.472,488 0.579,489 1.245,490 0.746,491 0.882,492 0.682,493 0.553,494 0.548,495 0.564,496 0.634,497 1.032,498 1.245,499 1.014,500 1.045,501 0.9,502 1.048,503 0.949,504 1.091,505 0.665,506 0.826,507 0.744,508 1.13,509 1.103,510 0.95,511 0.797,512 0.902,513 1.25,514 1.058,515 0.822,516 0.786,517 0.618,518 0.63,519 0.847,520 0.806,521 1.084,522 1.201,523 1.823,524 1.654,525 0.984,526 1.258,527 0.791,528 1.006,529 1.512,530 1.348,531 0.989,532 1.136,533 5.5,534 0.083,535 2.889,536 2.188,537 1.902,538 0.757,539 0.548,540 0.342,541 0.259,542 0.134,543 5089,544 16451,545 2.016,546 41,547 5,548 6,550 1,551 4,555 1.66,556 1.84,557 3.096,558 1.865,559 1,560 1,563 1,564 66.521,565 1.706,566 3.843,567 4.663,568 4.888,569 4.888,570 4.888,571 2.562,572 4.176,573 4.498,574 3.25,575 822.343,576 7.759,577 9108.9,579 1,581 1,582 206.131,583 1.538,584 4.428,585 0.22,586 0.014,587 0.08,588 0.056,589 0.054,590 0.027,591 0.021,592 0.015,593 0.014,594 0.01,595 0.511,596 0.17,597 1,598 0.872,599 105.982,600 -0.148,601 -0.017,602 -0.004,603 0.026,604 -0.28,605 0.051,606 0.169,607 0.342,608 0.033,609 0.156,610 0.259,611 0.238,612 -0.143,613 -0.176,614 -0.079,615 -0.112,616 -0.132,617 -0.147,618 0.048,619 -0.101,620 -0.03,621 -0.09,622 0.151,623 -0.241,624 -0.201,625 0.022,626 -0.029,627 -0.073,628 -0.251,629 -0.115,630 0.049,631 0.1,632 0.061,633 0.16,634 0.034,635 0.188,636 -0.099,637 -0.239,638 -0.115,639 -0.169,640 -0.088,641 -0.151,642 0.238,643 -0.029,644 -0.093,645 -0.07,646 0.068,647 -0.085,648 1.533,649 2.003,650 0.696,651 16.699,652 1.005,653 1.126,654 3.661,655 13.405,656 0.736,657 3.258,658 3.611,659 3.892,660 4.174,661 4.394,662 4.454,663 4.466,664 4.575,665 4.7,666 4.654,667 5.294,668 0.674,669 421.27,670 3.258,671 4.812,672 5.673,673 6.569,674 7.447,675 8.347,676 9.23,677 10.131,678 11.018,679 11.92,680 12.8,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 1,717 1,718 39,719 17,720 1,721 25,723 41,724 16,725 13,726 3,727 3,729 3,730 4,734 1,739 1,741 13,742 3,754 1,757 16,758 6,759 4,760 7,761 1,762 1,764 5,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 2,809 1,810 23,811 2,816 1,818 1,828 1,829 2.6,834 1,836 12.5,837 7.66,838 5.056,839 2.068,840 3.455,841 1.491,842 1.017,843 4.544,844 10.495,845 3.541,846 4.234,847 4.868,848 5.497,849 6.084,850 6.384,851 6.713,852 7.146,853 7.585,854 7.757,855 0.833,856 39,857 8.421,859 3.5,860 7.723,861 15.984,863 12.794,865 2.223,866 51.12,870 141.253,871 141.476,872 116.151,874 11,876 56.782,877 84.694,878 152.253,879 116.151,880 19.708,881 2.535,882 94.223,883 62.128,884 40.795,885 4.227,886 186.264,888 141.253,889 200.845,890 11,892 56.782,893 142.969,894 11,897 22.306,898 126.467,899 50.357,900 56.782,901 141.253,902 127.151,903 84.694,904 56.782,906 141.253,907 27.51,908 113.966,910 127.151,911 141.253,912 127.151,913 84.694,914 56.782,915 0.589,916 0.354,917 0.196,918 0.106,919 18,920 9,921 0.073,922 3,923 1,924 1.125,925 3.376,926 187.633,927 0.125,928 16,929 104.042,933 16.204,934 6.45,935 3.185,936 1.271,937 127.151,938 7.9,939 12.564,943 5.652,945 65.794,946 409.88,947 33.5,956 39.207,957 43.913,958 0.323,959 0.727,960 0.882,961 0.925,962 0.925,963 0.925,964 4.781,965 1.299,966 5.687,967 4.168,968 4.29,969 4.92,970 1.225,971 6.532,972 4.156,973 6.034,974 0.681,975 7.273,976 3.385,977 4.007,978 4.913,980 7.496,981 3.795,982 7.373,983 0.361,984 8.956,985 1.333,986 5.922,987 7.244,988 0.925,989 10.608,990 5.715,991 8.748,992 -0.106,993 10.693,994 0.784,995 6.399,996 8.008,998 12.378,999 6.155,1000 10.151,1001 -0.22,1002 12.466,1003 -0.274,1004 7.832,1005 9.859,1006 0.697,1007 15.035,1008 7.582,1009 11.574,1010 -0.377,1011 14.264,1012 -0.411,1013 8.668,1014 11.002,1016 17.162,1017 8.396,1018 13.014,1019 -0.525,1020 16.082,1021 -0.991,1022 9.917,1023 12.655,1024 0.525,1025 19.657,1026 9.632,1027 3.219,1028 -0.808,1029 17.916,1030 -1.303,1031 10.921,1032 13.991,1034 21.942,1035 10.618,1036 2.902,1037 11.245,1038 19.763,1039 -2.114,1040 12.101,1041 15.561,1042 0.395,1043 24.379,1044 11.78,1045 2.503,1046 9.262,1047 21.621,1048 4.617,1049 13.184,1050 16.992,1052 26.734,1053 12.843,1054 2.129,1055 7.744,1056 23.487,1057 3.912,1058 14.34,1059 18.529,1060 0.298,1061 29.152,1062 13.98,1063 2.039,1064 5.926,1065 25.361,1066 3.394,1067 15.46,1068 20.007,1070 31.539,1071 15.079,1072 1.974,1073 5.808,1074 27.242,1075 2.861,1076 16.61,1077 21.532,1078 0.224,1079 33.952,1080 16.209,1081 1.533,1082 5.765,1083 29.128,1084 2.798,1085 17.748,1086 23.033,1088 36.353,1089 17.325,1090 5044,1091 9171,1092 16.126,1093 28.711,1094 37.581,1095 38.091,1096 39.455,1097 37.528,1098 37.284,1099 50.538,1100 3.08,1101 110.839,1102 34.238,1103 5.437,1104 5.356,1105 6.38,1106 5.268,1107 5.219,1108 7.617,1109 1.72,1110 18.52,1111 5.141,1112 13.196,1113 1.503,1114 1.524,1115 1.578,1116 1.501,1117 1.491,1118 2.022,1119 0.123,1120 4.434,1121 1.37,1122 4.081,1123 4.117,1124 10.695,1125 4.053,1126 5.321,1127 3.998,1128 3.895,1129 3.916,1130 4.052,1131 3.924,1132 4.982,1133 3.838,1134 3.511,1135 3.576,1136 3.797,1137 3.457,1138 4.861,1139 3.362,1140 3.25,1141 3.311,1142 3.436,1143 3.271,1144 4.783,1145 3.038,1146 3.179,1147 3.274,1148 3.052,1149 2.974,1150 4.365,1151 2.969,1152 3.06,1153 3.154,1154 3.012,1155 2.877,1156 4.18,1157 2.87,1158 3.023,1159 3.139,1160 2.923,1161 2.836,1162 4.022,1163 2.721,1164 2.783,1165 2.843,1166 2.802,1167 2.704,1168 3.739,1169 2.686,1170 0.186,1171 0.134,1172 0.274,1173 0.168,1174 0.129,1175 4.657,1176 0.185,1177 3.356,1178 0.034,1179 6.838,1180 0.45,1181 4.193,1182 0.126,1183 3.219,1184 4.617,1185 0.86,1186 11.245,1187 3.141,1188 2.015,1189 1.988,1190 2.078,1191 2.135,1192 1.28,1193 2.117,1194 1.87,1195 1.85,1196 1.925,1197 1.954,1198 1.076,1199 1.959,1200 1.449,1201 1.392,1202 1.605,1203 1.664,1204 0.683,1205 1.656,1206 1.197,1207 1.131,1208 1.564,1209 1.498,1210 0.574,1211 1.524,1212 1.17,1213 1.085,1214 1.492,1215 1.415,1216 0.558,1217 1.439,1218 1.011,1219 0.934,1220 1.267,1221 1.34,1222 0.207,1223 1.341,1224 0.946,1225 0.826,1226 1.245,1227 1.259,1228 0.131,1229 1.27,1230 0.803,1231 0.751,1232 1.022,1233 0.954,1235 0.994,1236 3.932,1238 5.273,1240 6.819,1242 8.465,1244 10.163,1246 3.668,1249 2.288,1250 11.635,1252 0.693,1254 5.45,1262 26.299,1263 66.521,1264 149.866,1265 181.866,1266 190.621,1267 190.621,1268 190.621,1269 32.12,1270 7.04,1271 99.94,1272 99.94,1273 18,1274 12.443,1275 4.17,1276 3.248,1277 36.725,1278 73,1279 68,1280 0.253,1281 174.201,1282 283.53,1283 416.811,1284 9755,1285 2.6,1286 16.56,1287 0.72,1288 0.65,1289 18.06,1290 14.957,1291 10.99,1292 0.44,1293 0.323,1294 6.948,1295 9.859,1296 6.636,1297 5.534,1298 11.856,1299 8.068,1300 10.17,1301 0.283,1302 0.179,1303 11.395,1304 6.453,1305 8.472,1306 0.176,1307 0.092,1308 9.258,1309 4.429,1310 7.399,1311 0.116,1312 0.049,1313 8.103,1314 3.157,1315 5.646,1316 0.071,1317 0.026,1318 6.401,1319 2.081,1320 0.386,1321 82.473,1322 0.249,1323 22.143,1324 0.726,1325 122,1326 354.944,1327 281.947,1328 390.725,1329 528.83,1330 364,1331 145,1332 367.644,1333 203.481,1334 392.102,1335 571.4,1336 366,1337 8.301}
{0 CHEMBL187595,1 1.605,2 12.1,3 3.587,4 12.863,5 115.129,6 7.651,7 0.531,8 4.063,9 4.184,10 3.629,11 3.578,12 5.288,13 3.574,14 4.546,15 4.718,16 3.968,17 3.94,18 5.793,19 3.908,20 4.731,21 4.906,22 4.035,23 4.096,24 5.862,25 4.05,26 4.83,27 5.026,28 4.018,29 4.134,30 5.985,31 4.055,32 4.894,33 5.129,34 3.902,35 4.1,36 5.983,37 4.011,38 4.776,39 5.002,40 3.859,41 4.06,42 5.809,43 3.96,44 4.797,45 5.033,46 3.865,47 4.039,48 5.787,49 3.938,50 4.762,51 4.98,52 3.862,53 3.966,54 5.848,55 3.892,56 0.094,57 0.782,58 10.349,59 4.453,60 19.21,61 5.656,62 0.38,63 1.186,64 19.012,65 7.769,66 57.255,67 10.162,68 0.302,69 1.409,70 22.947,71 8.844,72 51.065,73 11.723,74 0.357,75 1.538,76 25.771,77 10.265,78 60.785,79 13.869,80 0.486,81 1.547,82 29.856,83 9.737,84 79.26,85 13.784,86 0.243,87 1.402,88 25.37,89 9.853,90 47.494,91 13.893,92 0.289,93 1.382,94 26.741,95 10.288,96 46.254,97 14.592,98 0.317,99 1.329,100 25.669,101 9.135,102 48.907,103 12.633,104 46,105 44,106 0.265,107 0.679,108 0.852,109 0.879,110 0.879,111 0.879,112 3.44,113 0.884,114 -4.68,115 -4.6,116 -4.32,119 41.5,120 1,121 4,124 1,138 2,139 3,140 5,141 1,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 14,167 1,169 2,170 7,172 3,173 4,175 2,178 17,179 1,180 1,182 7,187 2,189 16,190 1,191 1,192 1,193 9,195 3,196 3,197 1,198 4,200 2,201 14,202 1,204 3,205 1,207 7,212 3,215 14,216 1,218 2,221 7,226 4,229 12,230 1,231 3,233 1,234 10,239 4,241 9,242 2,243 3,246 8,251 5,254 4,255 3,256 3,259 2,260 9,262 1,263 1,265 7,268 3,269 1,270 4,273 1684,274 19.938,275 19.938,276 19.938,277 19.938,278 19.938,279 17.299,280 23.811,281 11.823,282 20.357,283 15.727,284 15.727,285 15.727,286 15.727,287 15.727,288 11.686,289 28.279,290 5.566,291 16.31,292 4.123,293 1.614,294 0.571,295 0.406,296 0.406,297 0.406,298 4.121,301 1,302 1,303 756,304 3.808,307 261.443,311 134.163,314 1.853,315 33.542,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 65.5,327 363,328 4.658,329 3.596,330 6.838,331 4.194,332 3.219,333 4.617,334 2.341,335 11.245,336 3.145,337 4.348,338 3.366,339 6.211,340 3.907,341 2.918,342 3.987,343 0.86,344 9.335,345 2.885,346 3.901,347 3.2,348 5.77,349 3.468,350 2.51,351 3.398,352 0.68,353 7.768,354 2.405,355 3.79,356 2.738,357 5.225,358 3.244,359 2.256,360 3.001,362 6.517,363 2.223,364 3.548,365 2.711,366 5.097,367 3.183,368 2.223,369 2.861,371 5.919,372 2.104,373 3.461,374 2.4,375 5.01,376 2.986,377 2.046,378 2.725,380 5.797,381 1.918,382 3.43,383 2.201,384 4.659,385 2.904,386 1.979,387 2.706,389 5.184,390 1.825,391 3.304,392 2.055,393 4.457,394 2.656,395 1.664,396 2.318,398 4.33,399 1.645,400 2.816,401 1.839,402 4.16,403 2.439,404 1.446,405 1.868,407 3.417,408 1.433,409 2.689,410 1.488,411 3.635,412 2.254,413 1.295,414 1.757,415 3.13,416 1.238,417 2.305,418 1.236,419 3.208,420 1.844,421 0.859,422 1.108,423 1.797,424 0.84,425 1.764,426 1.142,427 3.062,428 1.435,429 0.509,430 0.588,431 1.071,432 0.461,433 1.658,434 0.723,435 2.824,436 1.35,437 0.417,438 0.508,439 0.81,440 0.391,441 1.249,442 0.563,443 2.769,444 0.98,445 0.019,446 0.021,448 0.038,449 0.018,450 1.19,451 0.419,452 2.71,453 0.838,454 -0.111,455 -0.137,457 -0.289,458 -0.105,459 14,460 0.467,461 0.788,462 0.026,463 40,464 1.333,465 21,466 0.7,467 19,468 0.633,469 25.036,470 0.835,471 32.2,472 0.608,473 31.775,474 1.059,475 7.98,476 0.266,477 6.404,478 0.213,479 0.176,481 0.357,485 0.933,486 1.188,487 0.814,488 1.001,489 0.903,490 0.895,491 0.63,492 0.842,493 0.725,494 0.886,495 0.426,496 0.843,497 1.017,498 1.137,499 0.983,500 1.02,501 0.995,502 1.002,503 0.706,504 1.137,505 1.031,506 1.214,507 0.765,508 1.199,509 1.041,510 0.9,511 1.129,512 0.918,513 0.925,514 1.003,515 0.58,516 1.05,517 0.945,518 1.113,519 0.443,520 1.092,521 0.532,522 1.04,523 0.831,524 1.077,525 0.449,526 1.024,527 0.969,528 1.164,529 0.979,530 1.122,531 0.688,532 1.067,533 6.5,534 0.227,535 3.111,536 2.313,537 2.022,538 0.903,539 0.649,540 0.51,541 0.44,542 0.291,543 11228,544 35595,545 1.993,546 43.4,547 9,548 6,550 1,551 5,552 2,555 1.731,556 1.837,557 3.518,558 2.419,560 1,564 85.066,565 1.605,566 4.113,567 5.157,568 5.322,569 5.322,570 5.322,571 3.057,572 4.64,573 4.871,574 3.727,575 1621.22,576 8.517,577 22884.8,579 1,581 1,582 303.58,583 1.506,584 4.82,585 0.203,586 0.009,587 0.071,588 0.049,589 0.046,590 0.023,591 0.017,592 0.013,593 0.012,594 0.009,595 0.452,597 1,598 1.706,599 154.907,600 -0.131,601 0.001,602 0.001,603 0.053,604 -0.15,605 0.057,606 0.221,607 0.236,608 0.168,609 0.152,610 0.256,611 0.141,612 -0.159,613 -0.065,614 -0.091,615 0.01,616 -0.168,617 -0.024,618 0.033,619 -0.088,620 -0.132,621 -0.19,622 -0.031,623 -0.204,624 -0.198,625 0.122,626 -0.168,627 0.05,628 -0.14,629 -0.027,630 -0.005,631 -0.046,632 -0.033,633 -0.078,634 0.057,635 -0.059,636 0.096,637 -0.086,638 0.107,639 -0.036,640 0.053,641 0.025,642 -0.074,643 -0.188,644 -0.02,645 -0.116,646 -0.009,647 -0.068,648 2.48,649 3.635,650 0.533,651 33.36,652 1.008,653 1.129,654 3.45,655 11.902,656 0.665,657 3.497,658 3.807,659 4.043,660 4.304,661 4.533,662 4.625,663 4.7,664 4.82,665 4.949,666 4.97,667 7.125,668 0.641,669 405.5,670 3.497,671 5.03,672 5.866,673 6.742,674 7.601,675 8.486,676 9.358,677 10.248,678 11.128,679 12.022,680 9.4,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 1,718 53,719 19,720 1,721 32,723 55,724 22,725 13,726 3,727 3,729 3,730 4,734 1,739 4,740 2,741 14,742 6,744 1,748 1,751 1,754 1,757 23,758 8,759 5,760 8,764 5,769 0.667,770 3,775 1,776 1,781 3,785 1,788 2,792 1,800 1,802 2,806 2,810 30,811 2,815 1,816 4,818 1,823 1,827 2,829 5.7,831 1,832 1,834 1,836 16.333,837 10.133,838 6.722,839 2.999,840 4.328,841 1.573,842 0.957,843 6.838,844 11.876,845 3.795,846 4.419,847 5.011,848 5.633,849 6.216,850 6.577,851 6.951,852 7.352,853 7.788,854 8.029,855 1,856 47,857 11.005,859 4.564,860 7.939,861 20.572,863 16.243,865 2.439,866 73.167,868 1,869 1,870 211.88,871 128.795,872 116.151,874 78.828,877 128.795,878 290.708,879 116.151,880 19.708,881 10.138,882 94.223,883 130.866,884 42.321,885 38.288,886 200.109,888 211.88,889 244.946,890 78.828,893 213.595,894 78.828,897 29.91,898 128.903,899 84.418,901 211.88,902 194.979,903 128.795,906 211.88,907 37.549,908 57.184,909 34.061,910 194.979,911 211.88,912 194.979,913 128.795,915 0.576,916 0.327,917 0.175,918 0.096,919 19,920 10,921 0.109,922 6,923 1,924 1.125,925 4.06,926 257.697,927 0.125,928 16,929 147.207,933 21.513,934 9.536,935 5.253,936 1.149,937 194.979,938 7.45,939 12.6,943 4.835,945 108.478,946 535.654,947 43.5,951 10.635,954 -0.814,956 53.443,957 59.857,958 0.28,959 0.718,960 0.9,961 0.929,962 0.929,963 0.929,964 5.032,965 1.664,966 5.855,967 5.184,968 4.489,969 5.106,970 2.482,971 6.658,972 4.423,973 6.272,974 1.446,975 7.412,976 4.33,977 4.111,978 4.997,979 2.243,980 7.564,981 4.019,982 7.598,983 1.295,984 9.068,985 3.417,986 6.071,987 7.375,988 3.668,989 10.67,990 5.956,991 8.959,992 0.859,993 10.785,994 3.13,995 6.479,996 8.068,997 4.112,998 12.417,999 6.345,1000 10.348,1001 0.509,1002 12.541,1003 1.797,1004 7.936,1005 9.948,1006 5.207,1007 15.067,1008 7.784,1009 11.757,1010 0.417,1011 14.326,1012 1.071,1013 8.726,1014 11.05,1015 5.889,1016 17.185,1017 8.559,1018 13.185,1019 0.019,1020 16.134,1021 0.81,1022 9.985,1023 12.718,1024 6.849,1025 19.677,1026 9.8,1027 3.219,1028 -0.111,1029 17.959,1030 0.038,1031 10.964,1032 14.032,1033 7.625,1034 21.958,1035 10.763,1036 2.918,1037 11.245,1038 19.799,1039 -0.289,1040 12.146,1041 15.607,1042 8.526,1043 24.393,1044 11.927,1045 2.51,1046 9.335,1047 21.651,1048 4.617,1049 13.216,1050 17.027,1051 9.342,1052 26.746,1053 12.978,1054 2.256,1055 7.768,1056 23.513,1057 3.987,1058 14.372,1059 18.565,1060 10.216,1061 29.162,1062 14.114,1063 2.223,1064 6.517,1065 25.383,1066 3.398,1067 15.485,1068 20.037,1069 11.051,1070 31.548,1071 15.207,1072 2.046,1073 5.919,1074 27.26,1075 3.001,1076 16.634,1077 21.562,1078 11.912,1079 33.96,1080 16.335,1081 1.979,1082 5.797,1083 29.144,1084 2.861,1085 17.768,1086 23.059,1087 12.755,1088 36.36,1089 17.447,1090 11188,1091 20024,1092 20.69,1093 35.245,1094 47.998,1095 48.92,1096 48.848,1097 46.739,1098 46.722,1099 62.929,1100 7.762,1101 132.717,1102 45.064,1103 5.453,1104 5.596,1105 6.608,1106 5.269,1107 5.219,1108 7.617,1109 3.925,1110 18.521,1111 5.145,1112 18.108,1113 1.5,1114 1.529,1115 1.527,1116 1.461,1117 1.46,1118 1.967,1119 0.243,1120 4.147,1121 1.408,1122 4.086,1123 4.121,1124 4.059,1125 3.995,1126 7.474,1127 4.004,1128 3.924,1129 3.947,1130 3.885,1131 3.849,1132 6.351,1133 3.856,1134 3.703,1135 3.744,1136 3.592,1137 3.567,1138 5.321,1139 3.562,1140 3.516,1141 3.58,1142 3.45,1143 3.339,1144 4.982,1145 3.36,1146 3.388,1147 3.405,1148 3.322,1149 3.219,1150 4.92,1151 3.238,1152 3.23,1153 3.294,1154 3.069,1155 2.997,1156 4.796,1157 2.998,1158 3.169,1159 3.26,1160 3.047,1161 2.926,1162 4.659,1163 2.937,1164 3.044,1165 3.153,1166 2.905,1167 2.845,1168 4.255,1169 2.854,1170 0.146,1171 0.112,1172 0.214,1173 0.131,1174 0.101,1175 4.658,1176 0.144,1177 3.596,1178 0.073,1179 6.838,1180 0.351,1181 4.194,1182 0.098,1183 3.219,1184 4.617,1185 2.341,1186 11.245,1187 3.145,1188 2.021,1189 1.995,1190 2.091,1191 2.137,1192 1.285,1193 2.12,1194 1.899,1195 1.877,1196 1.98,1197 1.993,1198 1.211,1199 1.992,1200 1.684,1201 1.639,1202 1.899,1203 1.857,1204 1.074,1205 1.87,1206 1.451,1207 1.395,1208 1.614,1209 1.674,1210 0.684,1211 1.663,1212 1.314,1213 1.292,1214 1.574,1215 1.548,1216 0.584,1217 1.549,1218 1.19,1219 1.116,1220 1.497,1221 1.463,1222 0.56,1223 1.464,1224 1.141,1225 1.058,1226 1.451,1227 1.41,1228 0.552,1229 1.427,1230 1.005,1231 0.928,1232 1.267,1233 1.34,1234 0.206,1235 1.341,1236 4.174,1238 5.485,1240 6.989,1242 8.597,1244 10.266,1246 3.564,1250 11.725,1251 8.739,1252 1.711,1254 5.367,1261 6.206,1262 33.993,1263 85.066,1264 218.012,1265 273.315,1266 282.07,1267 282.07,1268 282.07,1269 61.398,1270 7.548,1271 137.24,1272 137.24,1273 18,1274 12.552,1275 4.322,1276 3.644,1277 55.211,1278 123,1279 150,1280 0.212,1281 213.381,1282 371.71,1283 512.409,1284 19944,1286 21.673,1287 0.722,1288 0.563,1289 21.673,1290 16.898,1291 14.384,1292 0.45,1293 0.295,1294 9.298,1295 13.813,1296 9.01,1297 7.521,1298 14.384,1299 9.435,1300 12.963,1301 0.295,1302 0.155,1303 12.963,1304 6.823,1305 10.227,1306 0.183,1307 0.085,1308 10.227,1309 4.743,1310 8.61,1311 0.118,1312 0.043,1313 8.61,1314 3.167,1315 6.687,1316 0.073,1317 0.022,1318 6.687,1319 2.067,1320 0.334,1321 90.424,1322 0.22,1323 28.449,1324 0.58,1325 152,1326 481.181,1327 167.466,1328 469.067,1329 632.63,1330 436,1331 176,1332 459.001,1333 188.976,1334 468.838,1335 676.38,1336 438,1337 7.62}
{0 CHEMBL188540,1 1.615,2 13.677,3 3.366,4 11.33,5 117.259,6 7.337,7 0.515,8 4.152,9 4.275,10 3.681,11 3.617,12 5.325,13 3.615,14 4.665,15 4.842,16 4.018,17 3.983,18 5.853,19 3.952,20 4.878,21 5.069,22 4.089,23 4.135,24 5.932,25 4.089,26 4.981,27 5.188,28 4.072,29 4.182,30 6.053,31 4.103,32 5.054,33 5.299,34 3.956,35 4.17,36 6.045,37 4.065,38 4.977,39 5.226,40 3.914,41 4.086,42 5.938,43 3.986,44 4.884,45 5.098,46 3.902,47 4.013,48 5.955,49 3.933,50 4.845,51 5.081,52 3.822,53 3.977,54 5.833,55 3.879,56 0.106,57 0.844,58 12.35,59 5.013,60 17.883,61 6.667,62 0.449,63 1.269,64 22.859,65 8.664,66 59.534,67 11.594,68 0.427,69 1.509,70 28.911,71 9.933,72 53.604,73 13.879,74 0.542,75 1.634,76 32.537,77 11.436,78 67.07,79 15.948,80 0.696,81 1.659,82 36.638,83 11.144,84 80.251,85 16.682,86 0.539,87 1.479,88 34.133,89 11.115,90 67.219,91 16.219,92 0.739,93 1.353,94 30.838,95 9.994,96 75.739,97 14.065,98 0.537,99 1.34,100 29.366,101 9.509,102 52.892,103 13.992,104 47,105 45,106 0.264,107 0.63,108 0.828,109 0.88,110 0.885,111 0.885,112 3.471,113 0.916,114 -4.28,115 -4.22,116 -3.98,119 37.9,120 1,121 5,124 1,125 1,139 3,140 4,141 2,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 10,167 1,169 2,170 10,172 3,173 4,175 2,178 10,179 1,180 1,182 11,187 2,189 8,190 1,191 1,192 1,193 10,195 3,196 3,197 1,198 4,200 2,201 7,202 1,204 3,205 1,206 1,207 7,212 3,215 8,218 2,220 1,221 6,222 1,226 3,229 8,231 3,233 2,234 6,237 1,239 2,241 8,243 2,245 2,246 3,248 1,249 1,251 2,254 5,255 2,256 2,259 2,260 6,262 1,263 1,265 4,268 5,269 2,270 2,273 1888,274 20.646,275 20.646,276 20.646,277 20.646,278 20.646,279 18.305,280 25.82,281 12.319,282 21.194,283 16.227,284 16.227,285 16.227,286 16.227,287 16.227,288 12.631,289 31.981,290 5.806,291 17.019,292 4.243,293 2.001,294 0.789,295 0.474,296 0.44,297 0.44,298 4.152,301 1,302 1,303 885,304 3.937,307 281.485,311 146.7,314 2.204,315 35.929,318 1,319 0.67,320 0.83,321 1,322 1,323 0.83,324 0.5,325 0.83,326 68.5,327 424,328 4.657,329 3.596,330 6.838,331 4.194,332 3.219,333 4.617,334 2.341,335 11.245,336 3.142,337 4.278,338 3.356,339 6.206,340 3.882,341 2.915,342 3.922,343 0.86,344 9.303,345 2.818,346 3.886,347 3.167,348 5.769,349 3.467,350 2.512,351 3.395,352 0.86,353 7.764,354 2.397,355 3.562,356 2.776,357 5.252,358 3.244,359 2.275,360 2.873,361 0.68,362 6.639,363 2.223,364 3.548,365 2.666,366 5.097,367 3.184,368 2.229,369 2.858,371 5.914,372 2.075,373 3.452,374 2.233,375 5.01,376 2.977,377 2.043,378 2.71,380 5.795,381 1.901,382 3.374,383 2.062,384 4.659,385 2.899,386 1.976,387 2.691,389 5.184,390 1.819,391 2.877,392 1.913,393 4.43,394 2.66,395 1.673,396 2.01,398 4.186,399 1.644,400 2.737,401 1.812,402 4.15,403 2.5,404 1.533,405 1.76,407 3.435,408 1.477,409 2.69,410 1.515,411 3.739,412 2.255,413 1.3,414 1.736,415 3.375,416 1.238,417 2.171,418 1.42,419 3.236,420 2.018,421 1.068,422 1.137,423 2.204,424 1.002,425 1.875,426 1.086,427 3.191,428 1.593,429 0.68,430 0.781,431 1.348,432 0.613,433 1.636,434 0.811,435 2.887,436 1.322,437 0.376,438 0.454,439 0.878,440 0.354,441 1.375,442 0.649,443 2.822,444 1.18,445 0.253,446 0.273,448 0.482,449 0.231,450 1.202,451 0.395,452 2.679,453 0.839,454 -0.107,455 -0.132,457 -0.276,458 -0.1,459 14.333,460 0.462,461 0.788,462 0.025,463 39.5,464 1.274,465 19.5,466 0.629,467 20,468 0.645,469 27.467,470 0.886,471 34.867,472 0.601,473 31.166,474 1.005,475 7.746,476 0.25,477 7.139,478 0.23,479 0.172,481 0.349,485 0.932,486 1.325,487 0.841,488 1.146,489 0.896,490 0.992,491 0.78,492 0.949,493 0.791,494 0.992,495 0.448,496 0.92,497 1.097,498 1.163,499 0.97,500 1.046,501 0.945,502 0.997,503 0.929,504 1.124,505 1.047,506 1.175,507 0.754,508 1.155,509 0.95,510 0.967,511 1.103,512 0.997,513 0.892,514 1.055,515 0.882,516 0.952,517 0.924,518 1,519 0.779,520 0.976,521 1.069,522 1.028,523 1.043,524 1.032,525 0.809,526 1.047,527 0.822,528 1.055,529 1.003,530 1.083,531 0.564,532 1.082,533 6.5,534 0.206,535 3.111,536 2.313,537 2.022,538 0.903,539 0.69,540 0.448,541 0.403,542 0.265,543 13037,544 39922,545 1.993,546 46.6,547 9,548 8,550 1,551 5,552 2,553 2,555 1.735,556 1.842,557 3.675,558 2.413,560 1,564 93.664,565 1.615,566 3.857,567 5.069,568 5.384,569 5.418,570 5.418,571 3.244,572 4.761,573 4.916,574 3.895,575 1811.11,576 8.587,577 26738.6,579 1,581 1,582 339.763,583 1.492,584 4.869,585 0.197,586 0.008,587 0.069,588 0.048,589 0.045,590 0.023,591 0.018,592 0.012,593 0.012,594 0.008,595 0.441,597 1,598 1.832,599 163.589,600 -0.114,601 -0.057,602 0.015,603 -0.001,604 -0.129,605 0.034,606 0.14,607 0.165,608 0.13,609 0.088,610 0.247,611 0.095,612 -0.149,613 -0.09,614 -0.033,615 0.008,616 -0.118,617 0.009,618 -0.037,619 -0.077,620 -0.108,621 -0.134,622 -0.01,623 -0.148,624 -0.091,625 0.039,626 -0.138,627 -0.019,628 -0.132,629 -0.069,630 -0.023,631 -0.004,632 0.046,633 0.008,634 -0.042,635 0.039,636 0.032,637 -0.065,638 -0.059,639 -0.013,640 0.001,641 -0.052,642 0.032,643 -0.06,644 -0.044,645 -0.077,646 0.01,647 -0.078,648 2.434,649 3.564,650 0.516,651 38.398,652 1.009,653 1.136,654 3.053,655 9.32,656 0.642,657 3.526,658 3.829,659 4.06,660 4.317,661 4.533,662 4.625,663 4.691,664 4.804,665 4.942,666 4.956,667 7.845,668 0.617,669 425.54,670 3.526,671 5.056,672 5.889,673 6.76,674 7.616,675 8.498,676 9.366,677 10.255,678 11.131,679 12.024,680 8.6,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 2,718 58,719 18,720 1,721 33,723 60,724 22,725 13,726 3,727 3,729 3,730 4,734 1,739 5,741 14,742 8,744 1,748 1,751 1,754 1,757 27,758 9,759 5,760 9,764 5,769 0.667,770 4,775 1,776 1,781 3,785 1,792 1,800 1,802 2,806 2,810 31,811 2,815 1,816 6,818 2,829 6.9,831 1,832 1,834 2,836 16.833,837 10.8,838 6.972,839 3.374,840 3.536,841 1.465,842 0.943,843 7.743,844 11.141,845 3.773,846 4.382,847 4.949,848 5.555,849 6.134,850 6.451,851 6.799,852 7.215,853 7.65,854 7.85,855 1,856 48,857 11.407,859 4.722,860 7.909,861 21.475,863 17.021,865 2.409,866 74.667,869 1,870 258.964,871 103.918,872 116.151,874 89.828,877 103.918,878 348.792,879 116.151,880 19.708,881 17.265,882 94.223,883 130.866,884 55.379,885 4.227,886 247.193,888 258.964,889 220.069,890 89.828,893 237.137,894 113.37,897 37.037,898 130.961,899 50.357,901 258.964,902 205.979,903 103.918,906 258.964,907 46.734,908 57.184,910 205.979,911 258.964,912 205.979,913 103.918,915 0.573,916 0.325,917 0.175,918 0.093,919 19,920 10,921 0.167,922 10,923 1,924 1.125,925 4.204,926 264.822,927 0.125,928 16,929 153.58,933 22.883,934 10.49,935 5.884,936 1.164,937 205.979,938 7.443,939 12.61,943 4.738,945 108.478,946 568.861,947 42.5,951 10.564,954 -0.768,956 58.538,957 65.896,958 0.276,959 0.658,960 0.865,961 0.919,962 0.925,963 0.925,964 4.999,965 1.673,966 5.872,967 5.184,968 4.511,969 5.069,970 2.599,971 6.668,972 4.424,973 6.211,974 1.533,975 7.424,976 4.186,977 4.111,978 4.997,979 2.243,980 7.564,981 3.997,982 7.525,983 1.3,984 9.076,985 3.435,986 6.084,987 7.317,988 3.696,989 10.671,990 5.931,991 8.876,992 1.068,993 10.79,994 3.375,995 6.479,996 8.054,997 4.112,998 12.415,999 6.306,1000 10.259,1001 0.68,1002 12.545,1003 2.204,1004 7.943,1005 9.894,1006 5.211,1007 15.065,1008 7.739,1009 11.666,1010 0.376,1011 14.328,1012 1.348,1013 8.726,1014 11.026,1015 5.889,1016 17.182,1017 8.505,1018 13.092,1019 0.253,1020 16.135,1021 0.878,1022 9.987,1023 12.673,1024 6.85,1025 19.673,1026 9.741,1027 3.219,1028 -0.107,1029 17.96,1030 0.482,1031 10.964,1032 14.004,1033 7.625,1034 21.954,1035 10.699,1036 2.915,1037 11.245,1038 19.799,1039 -0.276,1040 12.146,1041 15.571,1042 8.526,1043 24.389,1044 11.859,1045 2.512,1046 9.303,1047 21.65,1048 4.617,1049 13.215,1050 16.999,1051 9.342,1052 26.742,1053 12.908,1054 2.275,1055 7.764,1056 23.512,1057 3.922,1058 14.371,1059 18.535,1060 10.216,1061 29.159,1062 14.041,1063 2.229,1064 6.639,1065 25.382,1066 3.395,1067 15.483,1068 20.012,1069 11.051,1070 31.544,1071 15.132,1072 2.043,1073 5.914,1074 27.259,1075 2.873,1076 16.632,1077 21.536,1078 11.912,1079 33.956,1080 16.259,1081 1.976,1082 5.795,1083 29.142,1084 2.858,1085 17.766,1086 23.036,1087 12.755,1088 36.357,1089 17.371,1090 12953,1091 22778,1092 21.383,1093 37.222,1094 48.175,1095 49.623,1096 50.203,1097 48.106,1098 48.105,1099 62.435,1100 9.482,1101 135.502,1102 45.871,1103 5.582,1104 5.596,1105 6.665,1106 5.269,1107 5.219,1108 7.617,1109 3.925,1110 18.52,1111 5.142,1112 18.666,1113 1.46,1114 1.504,1115 1.521,1116 1.458,1117 1.458,1118 1.892,1119 0.287,1120 4.106,1121 1.39,1122 4.084,1123 4.12,1124 4.058,1125 3.984,1126 7.474,1127 3.996,1128 3.912,1129 3.934,1130 3.867,1131 3.814,1132 6.351,1133 3.824,1134 3.746,1135 3.796,1136 3.612,1137 3.604,1138 5.321,1139 3.594,1140 3.521,1141 3.581,1142 3.452,1143 3.34,1144 4.982,1145 3.361,1146 3.466,1147 3.503,1148 3.35,1149 3.248,1150 4.909,1151 3.261,1152 3.253,1153 3.31,1154 3.099,1155 2.99,1156 4.793,1157 2.997,1158 3.18,1159 3.274,1160 3.052,1161 2.961,1162 4.574,1163 2.968,1164 3.085,1165 3.158,1166 2.945,1167 2.853,1168 4.208,1169 2.87,1170 0.141,1171 0.109,1172 0.207,1173 0.127,1174 0.098,1175 4.657,1176 0.14,1177 3.596,1178 0.071,1179 6.838,1180 0.341,1181 4.194,1182 0.095,1183 3.219,1184 4.617,1185 2.341,1186 11.245,1187 3.142,1188 2.014,1189 1.988,1190 2.084,1191 2.137,1192 1.331,1193 2.119,1194 1.871,1195 1.851,1196 1.995,1197 1.995,1198 1.277,1199 1.99,1200 1.736,1201 1.682,1202 1.939,1203 1.906,1204 1.068,1205 1.925,1206 1.455,1207 1.402,1208 1.674,1209 1.684,1210 0.937,1211 1.674,1212 1.402,1213 1.354,1214 1.605,1215 1.648,1216 0.674,1217 1.643,1218 1.191,1219 1.123,1220 1.565,1221 1.506,1222 0.572,1223 1.524,1224 1.169,1225 1.085,1226 1.496,1227 1.418,1228 0.558,1229 1.441,1230 1.013,1231 0.941,1232 1.277,1233 1.342,1234 0.451,1235 1.341,1236 4.205,1238 5.509,1240 7.008,1242 8.61,1244 10.274,1246 3.584,1250 11.73,1251 8.687,1252 3.54,1254 11.373,1262 35.761,1263 93.664,1264 223.685,1265 293.988,1266 312.253,1267 314.253,1268 314.253,1269 67.29,1270 7.605,1271 146.47,1272 146.47,1273 18,1274 12.555,1275 4.248,1276 3.392,1277 58.429,1278 140,1279 176,1280 0.197,1281 223.232,1282 385.78,1283 536.445,1284 21850,1286 22.38,1287 0.722,1288 0.572,1289 22.38,1290 17.72,1291 14.884,1292 0.451,1293 0.305,1294 9.904,1295 14.18,1296 9.634,1297 8.029,1298 14.884,1299 10.074,1300 13.316,1301 0.296,1302 0.162,1303 13.316,1304 7.277,1305 10.462,1306 0.184,1307 0.089,1308 10.462,1309 5.071,1310 8.863,1311 0.12,1312 0.047,1313 8.863,1314 3.444,1315 6.741,1316 0.073,1317 0.024,1318 6.741,1319 2.2,1320 0.315,1321 94.332,1322 0.216,1323 29.596,1324 0.521,1325 156,1326 504.916,1327 175.009,1328 480.768,1329 646.67,1330 448,1331 180,1332 468.455,1333 196.63,1334 472.762,1335 685.03,1336 442,1337 8.699}
{0 CHEMBL188744,1 1.608,2 9.962,3 2.239,4 5.014,5 98.806,6 8.08,7 0.621,8 3.898,9 4.033,10 3.534,11 3.421,12 5.122,13 3.425,14 4.364,15 4.527,16 3.919,17 3.798,18 5.575,19 3.79,20 4.579,21 4.775,22 4,23 3.899,24 5.778,25 3.894,26 4.608,27 4.797,28 3.981,29 3.902,30 5.845,31 3.89,32 4.679,33 4.883,34 3.883,35 3.918,36 5.905,37 3.88,38 4.693,39 4.94,40 3.733,41 3.85,42 5.79,43 3.766,44 4.554,45 4.82,46 3.631,47 3.636,48 5.74,49 3.554,50 4.26,51 4.509,52 3.284,53 3.366,54 5.357,55 3.3,56 0.159,57 0.73,58 7.755,59 3.22,60 12.603,61 4.149,62 0.235,63 1.115,64 13.552,65 5.613,66 21.522,67 7.499,68 0.288,69 1.29,70 18.678,71 6.147,72 32.51,73 8.503,74 0.305,75 1.324,76 18.758,77 6.204,78 35.489,79 8.325,80 0.402,81 1.345,82 21.204,83 6.465,84 55.357,85 8.567,86 0.427,87 1.261,88 24.192,89 7.922,90 55.331,91 11.123,92 0.52,93 1.064,94 22.216,95 7.043,96 63.095,97 10.35,98 0.329,99 0.792,100 16.137,101 4.678,102 38.485,103 6.497,104 18,105 42,106 0.274,107 0.634,108 0.746,109 0.841,110 0.852,111 0.852,112 3.305,113 0.847,114 -4.45,115 -4.38,116 -4.12,119 41.9,120 1,121 1,139 8,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,160 3,166 9,169 3,170 7,172 3,173 3,175 1,178 9,180 1,181 1,182 16,187 1,189 6,191 1,193 19,195 1,196 1,197 1,198 5,200 2,201 3,204 5,205 1,207 11,212 4,215 7,218 4,220 2,221 2,223 1,224 1,226 2,229 9,231 2,233 6,234 4,236 3,237 3,239 1,241 8,243 1,246 3,248 1,249 1,254 4,260 4,262 3,263 3,265 2,268 3,270 2,273 864,274 17.662,275 17.662,276 17.662,277 17.662,278 17.662,279 14.958,280 19.167,281 10.22,282 17.945,283 14.249,284 14.249,285 14.249,286 14.249,287 14.249,288 10.149,289 20.347,290 4.761,291 14.729,292 3.819,293 1.712,294 1.058,295 0.5,296 0.436,297 0.436,298 4,300 1,301 1,302 1,303 564,304 2.449,306 53.68,307 221.635,310 96.521,314 1.583,315 26.41,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 56.5,327 259,328 4.795,329 3.771,330 6.837,331 4.239,332 3.267,333 4.954,334 1.342,335 11.311,336 3.176,337 4.483,338 3.228,339 6.727,340 4.078,341 3.109,342 4.187,344 10.906,345 3.013,346 3.989,347 2.73,348 5.999,349 3.568,350 2.595,351 3.53,353 8.471,354 2.523,355 3.692,356 2.619,357 5.326,358 3.224,359 2.28,360 3.16,362 6.697,363 2.155,364 3.553,365 2.363,366 5.053,367 2.942,368 1.99,369 3.009,371 5.705,372 1.893,373 3.303,374 2.225,375 5.038,376 2.896,377 1.926,378 2.553,380 5.537,381 1.861,382 3.203,383 1.925,384 4.779,385 2.695,386 1.74,387 2.455,389 5.058,390 1.657,391 3.026,392 1.7,393 4.497,394 2.585,395 1.606,396 2.216,398 4.225,399 1.568,400 2.586,401 1.397,402 3.618,403 2.114,404 1.117,405 1.579,407 2.743,408 1.114,409 2.5,410 1,411 3.414,412 2,413 1,414 1.5,415 2.136,416 1,417 2.243,418 0.985,419 3.308,420 1.749,421 0.764,422 1.074,423 1.885,424 0.751,425 1.723,426 0.687,427 3.247,428 1.506,429 0.521,430 0.601,431 0.996,432 0.513,433 1.43,434 0.421,435 2.755,436 1.008,437 0.056,438 0.07,439 0.123,440 0.054,441 1.192,442 0.06,443 2.593,444 0.617,445 -0.342,446 -0.502,448 -0.87,449 -0.327,450 0.827,451 -0.305,452 2.408,453 0.437,454 -0.479,455 -0.589,457 -1.15,458 -0.438,459 12.133,460 0.467,461 0.678,462 0.026,463 41.5,464 1.596,465 24.5,466 0.942,467 17,468 0.654,469 16.967,470 0.653,471 26.867,472 0.625,473 29.808,474 1.146,475 7.818,476 0.301,477 4.762,478 0.183,479 0.135,481 0.396,485 0.664,486 1.043,487 0.727,488 0.866,489 0.82,490 0.81,491 0.483,492 1.132,493 0.652,494 1.03,495 0.494,496 0.903,497 1.045,498 1.203,499 0.816,500 0.941,501 0.833,502 0.844,503 1.215,504 1.246,505 1.017,506 1.101,507 0.971,508 1.03,509 1.57,510 1.084,511 1.293,512 1.054,513 1.558,514 1.105,515 1.053,516 0.897,517 1.055,518 1.012,519 1.253,520 1.037,521 0.591,522 0.758,523 0.811,524 0.911,525 0.748,526 0.911,527 1.502,528 0.868,529 1.137,530 0.875,531 1.56,532 0.94,533 5,534 0.083,535 3.111,536 2.889,537 1.734,538 0.966,539 0.693,540 0.419,541 0.304,542 0.125,543 7572,544 21156,545 2.101,546 39.5,547 3,548 8,551 4,552 2,555 1.693,556 1.95,557 3.272,558 1.773,559 1,560 1,564 69.132,565 1.608,566 3.714,567 4.368,568 4.926,569 4.99,570 4.99,571 2.738,572 4.181,573 4.672,574 3.411,575 1108.73,576 8.107,577 13304.2,579 1,581 1,582 233.329,583 1.46,584 4.624,585 0.172,586 0.006,587 0.074,588 0.064,589 0.04,590 0.025,591 0.022,592 0.015,593 0.015,594 0.007,595 0.441,596 0.17,597 1,598 0.777,599 125.276,600 0.132,601 0.151,602 0.04,603 0.11,604 -0.151,605 0.066,606 0.311,607 -0.024,608 0.181,609 -0.035,610 0.141,611 0.027,612 -0.066,613 -0.146,614 0.096,615 0.018,616 0.028,617 0.082,618 -0.157,619 -0.173,620 -0.113,621 -0.161,622 0.024,623 -0.131,624 -0.399,625 -0.041,626 -0.354,627 -0.124,628 -0.265,629 -0.205,630 -0.052,631 0.022,632 -0.037,633 -0.018,634 -0.149,635 -0.025,636 0.446,637 0.126,638 0.261,639 0.074,640 0.309,641 0.118,642 -0.245,643 0.044,644 -0.08,645 0.085,646 -0.191,647 0.039,648 1.528,649 5.741,650 0.808,651 21.941,652 1.011,653 1.134,654 3.217,655 10.347,656 0.681,657 3.401,658 3.761,659 4.094,660 4.419,661 4.644,662 4.745,663 4.913,664 5.075,665 5.187,666 5.273,667 5.806,668 0.663,669 347.42,670 3.401,671 4.963,672 5.844,673 6.751,674 7.649,675 8.563,676 9.468,677 10.385,678 11.293,679 12.212,680 16.3,684 2,686 1,689 1,690 2,693 1,695 8,696 2,700 6,702 18,711 2,718 43,719 21,720 2,721 29,723 46,724 18,725 16,726 4,727 8,729 4,730 5,734 1,739 1,741 16,742 2,744 3,746 1,748 1,750 1,753 1,754 1,757 17,758 7,759 4,760 8,764 7,769 0.75,770 1,776 1,780 1,781 3,784 1,802 3,806 1,810 26,811 2,816 1,821 1,829 2.3,832 1,836 13.333,837 8,838 5.694,839 2.561,840 4.042,841 1.529,842 1.037,843 4.032,844 11.686,845 3.738,846 4.449,847 5.134,848 5.805,849 6.381,850 6.792,851 7.31,852 7.803,853 8.228,854 8.623,855 0.857,856 45,857 9.553,859 4.138,860 7.84,861 17.901,863 14.678,865 2.34,866 60.833,870 153.024,871 106.344,872 121.957,874 25.373,877 106.344,878 178.398,879 121.957,880 8.825,881 5.584,882 141.604,883 58.945,884 34.49,885 4.227,886 153.024,888 153.024,889 228.302,890 25.373,893 156.074,894 25.373,897 32.679,898 159.002,899 33.571,901 153.024,902 147.331,903 106.344,906 153.024,907 21.709,908 90.564,910 141.402,911 153.024,912 147.331,913 106.344,915 0.586,916 0.359,917 0.209,918 0.113,919 22,920 10,921 0.065,922 3,923 1,924 1.095,925 3.691,926 231.686,927 0.095,928 21,929 118.211,933 16.455,934 6.371,935 2.809,937 144.281,938 14.628,939 8.318,943 3.3,945 65.794,946 406.699,947 41,949 0.758,951 12.741,953 4.381,956 43.458,957 48.774,958 0.296,959 0.685,960 0.805,961 0.908,962 0.92,963 0.92,964 4.98,965 1.606,966 5.849,967 5.058,968 4.443,969 5.136,970 1.526,971 6.72,972 4.379,973 6.236,974 1.117,975 7.445,976 4.225,977 4.111,978 5.112,980 7.727,981 4.001,982 7.584,983 1,984 9.142,985 2.743,986 6.089,987 7.529,988 2.012,989 10.877,990 5.962,991 8.973,992 0.764,993 10.898,994 2.136,995 6.581,996 8.355,998 12.721,999 6.414,1000 10.395,1001 0.521,1002 12.692,1003 1.885,1004 8.046,1005 10.257,1006 2.539,1007 15.391,1008 7.861,1009 11.842,1010 0.056,1011 14.513,1012 0.996,1013 8.914,1014 11.491,1016 17.573,1017 8.695,1018 13.31,1019 -0.342,1020 16.354,1021 0.123,1022 10.185,1023 13.192,1024 3.091,1025 20.077,1026 9.944,1027 3.267,1028 -0.479,1029 18.209,1030 -0.87,1031 11.222,1032 14.62,1034 22.395,1035 10.949,1036 3.109,1037 11.311,1038 20.076,1039 -1.15,1040 12.42,1041 16.244,1042 3.658,1043 24.839,1044 12.123,1045 2.595,1046 10.906,1047 21.953,1048 4.954,1049 13.53,1050 17.762,1052 27.212,1053 13.203,1054 2.28,1055 8.471,1056 23.836,1057 4.187,1058 14.704,1059 19.359,1060 4.234,1061 29.635,1062 14.35,1063 1.99,1064 6.697,1065 25.725,1066 3.53,1067 15.846,1068 20.917,1070 32.03,1071 15.462,1072 1.926,1073 5.705,1074 27.619,1075 3.16,1076 17.013,1077 22.508,1078 4.816,1079 34.445,1080 16.602,1081 1.74,1082 5.537,1083 29.517,1084 3.009,1085 18.169,1086 24.085,1088 36.85,1089 17.728,1090 7235,1091 12251,1092 19.304,1093 29.301,1094 44.296,1095 45.009,1096 46.171,1097 44.015,1098 43.942,1099 61.778,1100 2.683,1101 131.583,1102 42.551,1103 5.502,1104 5.771,1105 6.639,1106 5.309,1107 5.267,1108 8.073,1109 2.683,1110 18.672,1111 5.176,1112 12.78,1113 1.527,1114 1.552,1115 1.592,1116 1.518,1117 1.515,1118 2.13,1119 0.093,1120 4.537,1121 1.467,1122 4.215,1123 4.257,1124 4.199,1125 4.063,1126 7.471,1127 4.087,1128 3.902,1129 3.95,1130 3.869,1131 3.806,1132 5.286,1133 3.805,1134 3.83,1135 3.867,1136 3.764,1137 3.696,1138 4.991,1139 3.718,1140 3.4,1141 3.488,1142 3.317,1143 3.211,1144 4.954,1145 3.207,1146 3.365,1147 3.424,1148 3.204,1149 3.111,1150 4.714,1151 3.149,1152 3.097,1153 3.201,1154 3.006,1155 2.87,1156 4.449,1157 2.89,1158 2.967,1159 3.049,1160 2.854,1161 2.735,1162 4.134,1163 2.741,1164 2.854,1165 2.925,1166 2.693,1167 2.731,1168 3.965,1169 2.715,1170 0.165,1171 0.13,1172 0.236,1173 0.146,1174 0.113,1175 4.795,1176 0.171,1177 3.771,1178 0.046,1179 6.837,1180 0.39,1181 4.239,1182 0.11,1183 3.267,1184 4.954,1185 1.342,1186 11.311,1187 3.176,1188 2.028,1189 2.004,1190 2.086,1191 2.153,1192 1.239,1193 2.128,1194 1.884,1195 1.853,1196 2.004,1197 2.003,1198 1.069,1199 1.998,1200 1.757,1201 1.712,1202 1.891,1203 1.943,1204 1.051,1205 1.923,1206 1.387,1207 1.303,1208 1.631,1209 1.649,1210 0.637,1211 1.658,1212 1.287,1213 1.224,1214 1.38,1215 1.63,1216 0.38,1217 1.573,1218 1.064,1219 1,1220 1.277,1221 1.384,1222 0.218,1223 1.365,1224 0.892,1225 0.821,1226 1.181,1227 1.196,1228 0.187,1229 1.185,1230 0.886,1231 0.809,1232 1.144,1233 1.062,1234 0.148,1235 1.107,1236 4.078,1238 5.425,1239 2.398,1240 6.978,1241 4.844,1242 8.625,1243 7.034,1244 10.321,1246 1.963,1250 11.766,1252 0.644,1257 1.317,1262 28.499,1263 69.132,1264 159.72,1265 187.82,1266 211.82,1267 214.574,1268 214.574,1269 40.161,1270 7.643,1271 121.1,1272 121.1,1273 23,1274 12.723,1275 4.459,1276 3.7,1277 37.961,1278 93,1279 88,1280 0.21,1281 176.141,1282 297.21,1283 421.545,1284 20480,1286 18.259,1287 0.702,1288 0.543,1289 18.259,1290 14.125,1291 12.58,1292 0.434,1293 0.282,1294 8.068,1295 12.073,1296 7.902,1297 6.581,1298 12.58,1299 8.185,1300 11.453,1301 0.273,1302 0.139,1303 11.453,1304 5.844,1305 10.019,1306 0.17,1307 0.071,1308 10.019,1309 4.196,1310 8.969,1311 0.109,1312 0.037,1313 8.969,1314 3.002,1315 7.17,1316 0.07,1317 0.019,1318 7.17,1319 2.002,1320 0.323,1321 79.017,1322 0.228,1323 24.687,1324 0.598,1325 142,1326 416.586,1327 157.869,1328 412.6,1329 579.71,1330 384,1331 172,1332 460.818,1333 189.479,1334 460.639,1335 678.49,1336 435,1337 5.569}
{0 CHEMBL189012,1 1.576,2 13.333,3 4.344,4 18.872,5 138.378,6 8.094,7 0.575,8 4.194,9 4.313,10 3.825,11 3.761,12 5.419,13 3.761,14 4.671,15 4.825,16 4.191,17 4.141,18 5.928,19 4.118,20 4.944,21 5.133,22 4.313,23 4.322,24 6.083,25 4.285,26 4.976,27 5.168,28 4.275,29 4.358,30 6.112,31 4.297,32 5.026,33 5.22,34 4.244,35 4.403,36 6.133,37 4.324,38 5.033,39 5.259,40 4.195,41 4.363,42 6.072,43 4.272,44 4.98,45 5.202,46 4.183,47 4.322,48 5.998,49 4.241,50 4.934,51 5.147,52 4.163,53 4.261,54 6.023,55 4.192,56 0.091,57 0.917,58 10.186,59 4.633,60 19.415,61 5.592,62 0.315,63 1.452,64 18.205,65 7.985,66 51.315,67 10.248,68 0.439,69 1.842,70 26.796,71 10.285,72 61.448,73 13.237,74 0.431,75 1.88,76 27.511,77 11.222,78 60.817,79 14.544,80 0.334,81 1.925,82 29.048,83 12.172,84 63.585,85 15.884,86 0.357,87 1.927,88 31.33,89 12.556,90 55.531,91 17.234,92 0.271,93 1.829,94 29.512,95 11.772,96 42.404,97 16.187,98 0.276,99 1.752,100 27.666,101 10.94,102 44.845,103 14.79,104 23,105 56,106 0.25,107 0.663,108 0.804,109 0.873,110 0.897,111 0.902,112 3.616,113 0.857,114 -4.94,115 -4.84,116 -4.54,119 45.8,121 3,125 1,134 2,138 2,139 7,140 3,141 2,142 1,143 2,144 1,146 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 16,167 1,169 2,170 5,172 3,173 4,175 1,178 18,179 1,181 4,182 7,184 1,185 1,187 1,189 18,190 1,192 2,193 4,195 3,196 3,197 1,198 1,200 2,201 19,202 1,205 1,207 6,209 1,210 1,212 1,215 19,216 1,220 2,221 12,223 1,224 1,226 1,229 16,230 1,234 11,239 1,241 12,242 2,246 15,248 1,249 1,251 6,254 7,255 2,256 4,260 16,261 1,265 8,268 5,269 2,270 6,273 2730,274 24.499,275 24.499,276 24.499,277 24.499,278 24.499,279 21.097,280 26.159,281 14.606,282 24.881,283 19.801,284 19.801,285 19.801,286 19.801,287 19.801,288 14.626,289 34.498,290 6.984,291 20.472,292 4.306,293 1.71,294 0.82,295 0.386,296 0.237,297 0.203,298 4.326,302 1,303 1042,304 3.808,307 308.287,308 83.218,311 133.368,312 273.688,314 2.167,315 34.791,318 1,319 0.67,320 1,321 0.6,323 0.83,324 0.5,325 0.66,326 77.5,327 480,328 4.567,329 3.596,330 6.872,331 4.208,332 3.243,333 4.491,334 2.341,335 11.497,336 3.137,337 4.529,338 3.454,339 6.502,340 4.016,341 3.073,342 4.199,343 0.916,344 10.175,345 2.897,346 4.215,347 3.129,348 6.31,349 3.786,350 2.796,351 3.81,352 0.172,353 9.505,354 2.765,355 3.835,356 3.038,357 5.634,358 3.407,359 2.448,360 3.244,362 7.456,363 2.347,364 3.755,365 2.626,366 5.28,367 3.242,368 2.242,369 2.971,371 6.653,372 2.223,373 3.547,374 2.5,375 5.062,376 3.168,377 2.212,378 2.811,380 5.802,381 2.111,382 3.458,383 2.309,384 4.976,385 2.958,386 2.028,387 2.717,389 5.752,390 1.88,391 3.422,392 2.163,393 4.782,394 2.878,395 1.945,396 2.691,398 5.186,399 1.813,400 3.305,401 2.036,402 4.658,403 2.771,404 1.785,405 2.448,407 4.982,408 1.75,409 3.086,410 1.866,411 4.11,412 2.55,413 1.551,414 2.214,415 3.494,416 1.547,417 2.877,418 1.52,419 3.862,420 2.439,421 1.446,422 2.03,423 3.261,424 1.433,425 2.857,426 1.414,427 3.709,428 2.414,429 1.414,430 1.921,431 3.107,432 1.414,433 2.459,434 1.226,435 3.647,436 2.003,437 1.021,438 1.436,439 2.565,440 1.001,441 2.441,442 1.09,443 3.578,444 1.916,445 1,446 1.356,448 2.498,449 0.914,450 2.284,451 1.057,452 3.266,453 1.739,454 0.749,455 1.007,457 1.747,458 0.738,459 16.967,460 0.471,461 0.853,462 0.024,463 52.25,464 1.451,465 28.5,466 0.792,467 23.75,468 0.66,469 28.635,470 0.795,471 36.433,472 0.618,473 43.787,474 1.216,475 10.304,476 0.286,477 7.187,478 0.2,479 0.086,481 0.348,485 0.931,486 1.167,487 0.751,488 0.893,489 0.884,490 0.804,491 0.508,492 1.051,493 0.754,494 0.988,495 0.408,496 0.925,497 0.939,498 0.938,499 0.912,500 0.871,501 0.887,502 0.884,503 0.785,504 0.901,505 1,506 0.99,507 0.73,508 1.026,509 0.814,510 1.037,511 1.078,512 1.104,513 0.766,514 1.131,515 0.542,516 0.917,517 0.938,518 1.01,519 0.453,520 1.029,521 0.588,522 1.026,523 0.883,524 1.002,525 0.43,526 0.986,527 0.705,528 1.075,529 0.924,530 1.063,531 0.597,532 1.029,533 6.5,534 0.288,535 3.778,536 2.5,537 2.318,538 1.063,539 0.652,540 0.609,541 0.529,542 0.385,543 19008,544 56772,545 2.12,546 39,547 4,548 11,550 1,551 5,552 2,555 1.779,556 2,557 3.613,558 2.245,564 93.001,565 1.576,566 4.173,567 5.062,568 5.497,569 5.645,570 5.679,571 3.173,572 4.948,573 5.131,574 3.833,575 2414.77,576 9.053,577 37615.3,582 347.076,583 1.352,584 5.109,585 0.162,586 0.007,587 0.067,588 0.04,589 0.039,590 0.018,591 0.012,592 0.011,593 0.01,594 0.008,595 0.374,597 0.75,598 1.357,599 194.951,600 -0.141,601 -0.044,602 0.011,603 0.063,604 -0.154,605 0.064,606 0.262,607 0.029,608 0.079,609 -0.023,610 0.232,611 -0.011,612 -0.036,613 0.112,614 -0.001,615 0.089,616 -0.098,617 0.052,618 0.008,619 0.126,620 -0.097,621 -0.007,622 -0.028,623 -0.065,624 -0.098,625 -0.045,626 -0.175,627 -0.097,628 -0.076,629 -0.142,630 0.05,631 0.058,632 0.009,633 0.004,634 0.03,635 0.001,636 0.001,637 -0.052,638 0.059,639 0.013,640 0.023,641 0.042,642 -0.001,643 -0.087,644 0.016,645 -0.063,646 0.03,647 -0.026,648 2.477,649 3.77,650 0.694,651 44.639,652 1.007,653 1.123,654 3.711,655 13.768,656 0.696,657 3.714,658 4.043,659 4.331,660 4.644,661 4.934,662 5.081,663 5.268,664 5.464,665 5.666,666 5.79,667 7.61,668 0.674,669 477.57,670 3.714,671 5.263,672 6.12,673 7.009,674 7.889,675 8.787,676 9.679,677 10.582,678 11.48,679 12.386,680 11.9,684 2,688 1,690 4,694 2,695 8,696 4,700 8,702 23,711 2,714 1,718 59,719 26,720 2,721 40,723 63,724 27,725 18,726 5,727 7,728 2,729 5,730 9,739 3,740 2,741 21,742 4,744 2,748 1,749 2,751 1,757 23,758 9,759 5,760 9,764 7,769 0.4,770 2,774 1,776 1,781 4,782 1,785 1,786 2,788 2,792 1,795 2,800 1,802 2,810 36,811 2,815 1,816 4,821 1,823 1,827 2,829 3.4,831 1,832 1,836 18,837 10.617,838 7.861,839 3.438,840 6.009,841 1.683,842 1.013,843 6.598,844 14.804,845 4.034,846 4.659,847 5.278,848 5.915,849 6.532,850 6.893,851 7.359,852 7.827,853 8.319,854 8.674,855 1,856 63,857 13.222,859 5.665,860 7.843,861 24.925,863 20.434,865 2.343,866 84.333,870 211.88,871 164.927,872 136.061,874 67.828,877 164.927,878 279.708,879 136.061,881 9.709,882 151.081,883 147.651,884 33.858,885 38.288,886 200.109,888 211.88,889 300.988,890 67.828,893 213.595,894 67.828,897 28.681,898 150.436,899 120.156,901 211.88,902 203.889,903 164.927,906 211.88,907 36.533,908 97.458,909 34.061,910 200.765,911 211.88,912 203.889,913 164.927,915 0.578,916 0.331,917 0.188,918 0.106,919 27,920 12,921 0.079,922 5,923 3,924 1.24,925 4.546,926 360.149,927 0.24,928 25,929 184.117,933 23.444,934 10.132,935 5.065,936 0.756,937 203.889,938 15.769,939 17.225,943 5.817,945 108.478,946 580.696,947 55.5,951 10.77,952 4.139,954 -0.81,956 59.436,957 66.229,958 0.268,959 0.709,960 0.861,961 0.934,962 0.96,963 0.965,964 5.277,965 1.945,966 6.103,967 5.752,968 4.727,969 5.347,970 2.404,971 6.927,972 4.659,973 6.507,974 1.785,975 7.663,976 5.186,977 4.29,978 5.121,979 2.283,980 7.854,981 4.172,982 7.825,983 1.551,984 9.328,985 4.982,986 6.323,987 7.588,988 3.653,989 10.994,990 6.182,991 9.178,992 1.446,993 11.055,994 3.494,995 6.711,996 8.192,997 4.12,998 12.784,999 6.518,1000 10.56,1001 1.414,1002 12.824,1003 3.261,1004 8.208,1005 10.118,1006 5.205,1007 15.444,1008 7.993,1009 11.965,1010 1.021,1011 14.624,1012 3.107,1013 8.997,1014 11.147,1015 5.89,1016 17.59,1017 8.731,1018 13.388,1019 1,1020 16.445,1021 2.565,1022 10.277,1023 12.829,1024 6.849,1025 20.086,1026 9.985,1027 3.243,1028 0.749,1029 18.282,1030 2.498,1031 11.261,1032 14.081,1033 7.625,1034 22.383,1035 10.922,1036 3.073,1037 11.497,1038 20.133,1039 1.747,1040 12.455,1041 15.65,1042 8.526,1043 24.822,1044 12.084,1045 2.796,1046 10.175,1047 21.994,1048 4.491,1049 13.529,1050 17.016,1051 9.342,1052 27.184,1053 13.115,1054 2.448,1055 9.505,1056 23.863,1057 4.199,1058 14.692,1059 18.533,1060 10.216,1061 29.606,1062 14.244,1063 2.242,1064 7.456,1065 25.738,1066 3.81,1067 15.808,1068 19.956,1069 11.051,1070 31.999,1071 15.32,1072 2.212,1073 6.653,1074 27.62,1075 3.244,1076 16.962,1077 21.451,1078 11.912,1079 34.418,1080 16.438,1081 2.028,1082 5.802,1083 29.505,1084 2.971,1085 18.099,1086 22.904,1087 12.755,1088 36.827,1089 17.536,1090 18037,1091 31313,1092 27.046,1093 41.04,1094 61.22,1095 61.142,1096 61.145,1097 59.509,1098 59.442,1099 80.835,1100 6.859,1101 171.023,1102 57.438,1103 5.416,1104 5.596,1105 6.644,1106 5.29,1107 5.243,1108 7.491,1109 3.925,1110 19.022,1111 5.137,1112 17.042,1113 1.531,1114 1.529,1115 1.529,1116 1.488,1117 1.486,1118 2.021,1119 0.171,1120 4.276,1121 1.436,1122 4.089,1123 4.126,1124 4.057,1125 4.011,1126 7.474,1127 4.014,1128 3.988,1129 4.029,1130 3.966,1131 3.834,1132 6.351,1133 3.867,1134 3.819,1135 3.845,1136 3.76,1137 3.774,1138 5.342,1139 3.768,1140 3.698,1141 3.738,1142 3.588,1143 3.566,1144 4.99,1145 3.56,1146 3.515,1147 3.582,1148 3.45,1149 3.332,1150 4.919,1151 3.352,1152 3.361,1153 3.379,1154 3.297,1155 3.228,1156 4.854,1157 3.224,1158 3.306,1159 3.354,1160 3.195,1161 3.202,1162 4.729,1163 3.209,1164 3.149,1165 3.231,1166 3.054,1167 2.922,1168 4.474,1169 2.947,1170 0.114,1171 0.09,1172 0.172,1173 0.105,1174 0.081,1175 4.567,1176 0.112,1177 3.596,1178 0.059,1179 6.872,1180 0.287,1181 4.208,1182 0.078,1183 3.243,1184 4.491,1185 2.341,1186 11.497,1187 3.137,1188 1.958,1189 1.932,1190 2.034,1191 2.117,1192 1.22,1193 2.083,1194 1.927,1195 1.901,1196 2.023,1197 2.009,1198 1.174,1199 2.006,1200 1.886,1201 1.848,1202 1.94,1203 1.982,1204 1.125,1205 1.994,1206 1.687,1207 1.641,1208 1.902,1209 1.857,1210 0.973,1211 1.871,1212 1.445,1213 1.388,1214 1.6,1215 1.662,1216 0.716,1217 1.649,1218 1.329,1219 1.287,1220 1.528,1221 1.502,1222 0.576,1223 1.484,1224 1.293,1225 1.268,1226 1.468,1227 1.446,1228 0.569,1229 1.475,1230 1.078,1231 1.008,1232 1.29,1233 1.381,1234 0.262,1235 1.364,1236 4.394,1238 5.72,1240 7.241,1241 2.708,1242 8.861,1243 5.38,1244 10.536,1250 11.729,1251 8.849,1252 1.571,1257 2.171,1261 6.347,1262 39.794,1263 93.001,1264 246.205,1265 298.67,1266 324.321,1267 333.076,1268 335.076,1269 59.302,1270 8.795,1271 145.83,1272 145.83,1273 31,1274 12.905,1275 4.755,1276 4.044,1277 54.246,1278 155,1279 210,1280 0.163,1281 244.438,1282 425.24,1283 588.189,1284 96844,1286 25.07,1287 0.696,1288 0.537,1289 25.07,1290 19.348,1291 17.491,1292 0.437,1293 0.286,1294 11.288,1295 16.928,1296 11.076,1297 9.162,1298 17.491,1299 11.423,1300 15.893,1301 0.284,1302 0.148,1303 15.893,1304 8.266,1305 13.035,1306 0.174,1307 0.077,1308 13.035,1309 5.768,1310 11.471,1311 0.111,1312 0.04,1313 11.471,1314 4.127,1315 9.731,1316 0.071,1317 0.021,1318 9.731,1319 2.892,1320 0.255,1321 108.896,1322 0.192,1323 32.736,1324 0.454,1325 192,1326 558.735,1327 209.389,1328 554.849,1329 767.34,1330 518,1331 227,1332 577.793,1333 243.479,1334 587.997,1335 860.39,1336 555,1337 5.886}
{0 CHEMBL189369,1 1.591,2 12.6,3 3.888,4 15.117,5 133.777,6 8.277,7 0.59,8 4.15,9 4.266,10 3.8,11 3.72,12 5.395,13 3.725,14 4.616,15 4.765,16 4.171,17 4.098,18 5.903,19 4.083,20 4.883,21 5.061,22 4.294,23 4.28,24 6.055,25 4.253,26 4.917,27 5.099,28 4.256,29 4.318,30 6.105,31 4.265,32 4.973,33 5.169,34 4.221,35 4.373,36 6.057,37 4.293,38 5.002,39 5.226,40 4.177,41 4.337,42 6.029,43 4.248,44 4.959,45 5.178,46 4.188,47 4.287,48 6.03,49 4.218,50 4.896,51 5.101,52 4.153,53 4.199,54 6.066,55 4.147,56 0.101,57 0.877,58 9.199,59 4.293,60 19.777,61 5,62 0.32,63 1.384,64 16.307,65 7.343,66 49.985,67 9.186,68 0.441,69 1.755,70 23.849,71 9.381,72 59.759,73 11.621,74 0.432,75 1.793,76 24.515,77 10.293,78 60.716,79 12.915,80 0.275,81 1.857,82 26.327,83 11.534,84 48.135,85 15.161,86 0.374,87 1.877,88 29.709,89 12.072,90 50.782,91 16.34,92 0.305,93 1.779,94 28.579,95 11.372,96 44.192,97 15.31,98 0.34,99 1.666,100 26.226,101 10.208,102 53.005,103 13.203,104 22,105 55,106 0.255,107 0.666,108 0.798,109 0.871,110 0.897,111 0.902,112 3.589,113 0.84,114 -4.74,115 -4.65,116 -4.37,119 46.4,121 2,125 1,134 2,138 2,139 7,140 3,141 2,142 1,143 2,144 1,146 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 15,167 1,169 2,170 5,172 3,173 4,175 1,178 17,179 1,181 4,182 7,184 1,185 1,187 1,189 17,190 1,192 2,193 4,195 3,196 3,197 1,198 1,200 2,201 18,202 1,205 1,207 6,209 1,210 1,212 1,215 18,216 1,220 2,221 12,223 1,224 1,226 1,229 14,230 2,234 12,239 2,241 10,242 2,246 14,247 1,248 1,249 1,251 6,254 5,255 2,256 4,259 1,260 16,263 1,265 8,268 4,269 1,270 6,273 2476,274 23.792,275 23.792,276 23.792,277 23.792,278 23.792,279 20.39,280 24.805,281 14.106,282 24.174,283 19.301,284 19.301,285 19.301,286 19.301,287 19.301,288 14.126,289 33.206,290 6.734,291 19.972,292 4.216,293 1.65,294 0.829,295 0.371,296 0.214,297 0.179,298 4.299,302 1,303 959,304 3.674,307 294.944,308 79.535,311 128.317,312 261.165,314 2,315 34.175,318 1,319 0.67,320 1,321 0.4,323 0.83,324 0.5,325 0.63,326 75.5,327 441,328 4.567,329 3.601,330 6.872,331 4.208,332 3.243,333 4.491,334 2.341,335 11.497,336 3.137,337 4.529,338 3.454,339 6.502,340 4.016,341 3.073,342 4.199,343 0.916,344 10.175,345 2.897,346 4.215,347 3.129,348 6.31,349 3.786,350 2.796,351 3.81,352 0.172,353 9.505,354 2.765,355 3.838,356 3.036,357 5.634,358 3.407,359 2.448,360 3.244,362 7.456,363 2.348,364 3.758,365 2.626,366 5.28,367 3.243,368 2.247,369 2.976,371 6.653,372 2.222,373 3.54,374 2.485,375 5.062,376 3.162,377 2.202,378 2.811,380 5.802,381 2.105,382 3.45,383 2.291,384 4.976,385 2.957,386 2.027,387 2.728,389 5.752,390 1.878,391 3.421,392 2.16,393 4.784,394 2.874,395 1.942,396 2.677,398 5.192,399 1.806,400 3.303,401 2.034,402 4.656,403 2.754,404 1.766,405 2.438,407 4.968,408 1.738,409 3.081,410 1.86,411 4.108,412 2.497,413 1.503,414 2.202,415 3.49,416 1.492,417 2.875,418 1.519,419 3.861,420 2.414,421 1.414,422 2.03,423 3.191,424 1.414,425 2.855,426 1.414,427 3.709,428 2.332,429 1.335,430 1.885,431 2.888,432 1.327,433 2.457,434 1.119,435 3.593,436 1.963,437 1.011,438 1.435,439 2.565,440 0.961,441 2.434,442 1.058,443 3.508,444 1.912,445 0.969,446 1.319,448 2.417,449 0.911,450 2.089,451 0.893,452 3.234,453 1.609,454 0.636,455 0.874,457 1.6,458 0.617,459 16.467,460 0.47,461 0.853,462 0.024,463 51.75,464 1.479,465 28.5,466 0.814,467 23.25,468 0.664,469 26.798,470 0.766,471 35.133,472 0.627,473 43.302,474 1.237,475 10.304,476 0.294,477 6.687,478 0.191,479 0.089,481 0.358,485 0.939,486 1.155,487 0.735,488 0.869,489 0.895,490 0.778,491 0.513,492 1.035,493 0.733,494 0.964,495 0.416,496 0.9,497 0.966,498 0.941,499 0.928,500 0.869,501 0.915,502 0.887,503 0.805,504 0.901,505 1.023,506 0.997,507 0.687,508 1.041,509 0.575,510 1.05,511 1.022,512 1.135,513 0.459,514 1.147,515 0.539,516 0.912,517 0.954,518 1.022,519 0.486,520 1.048,521 0.669,522 1.018,523 0.869,524 0.999,525 0.52,526 0.968,527 0.943,528 1.068,529 0.955,530 1.052,531 0.88,532 1.012,533 6.5,534 0.3,535 3.778,536 2.5,537 2.318,538 1.007,539 0.693,540 0.64,541 0.526,542 0.372,543 17291,544 52795,545 2.123,546 37.5,547 2,548 11,550 1,551 5,552 2,555 1.773,556 2,557 3.543,558 2.275,564 89.11,565 1.591,566 4.158,567 4.979,568 5.437,569 5.593,570 5.629,571 3.043,572 4.844,573 5.093,574 3.75,575 2231.53,576 8.979,577 33743.4,582 325.212,583 1.366,584 5.067,585 0.167,586 0.008,587 0.069,588 0.04,589 0.039,590 0.018,591 0.013,592 0.012,593 0.01,594 0.008,595 0.383,597 0.75,598 1.237,599 187.06,600 -0.152,601 -0.043,602 0.007,603 0.069,604 -0.172,605 0.069,606 0.258,607 0.042,608 0.082,609 -0.013,610 0.223,611 -0.004,612 -0.06,613 0.116,614 -0.037,615 0.08,616 -0.125,617 0.03,618 -0.01,619 0.129,620 -0.138,621 -0.025,622 0.015,623 -0.096,624 -0.023,625 -0.062,626 -0.132,627 -0.127,628 0.01,629 -0.144,630 0.05,631 0.053,633 -0.006,634 -0.009,635 -0.01,636 0.001,637 -0.059,638 0.095,639 0.016,640 0.043,641 0.066,642 -0.055,643 -0.093,644 0.009,645 -0.059,646 -0.01,647 -0.021,648 2.53,649 3.832,650 0.714,651 40.163,652 1.01,653 1.122,654 3.509,655 12.315,656 0.701,657 3.689,658 4.025,659 4.317,660 4.635,661 4.927,662 5.075,663 5.268,664 5.46,665 5.659,666 5.781,667 7.252,668 0.683,669 463.54,670 3.689,671 5.242,672 6.103,673 6.995,674 7.877,675 8.778,676 9.671,677 10.575,678 11.475,679 12.381,680 12.5,684 2,688 1,690 4,694 2,695 8,696 4,700 8,702 23,711 2,714 1,718 56,719 26,720 2,721 39,723 60,724 26,725 18,726 5,727 7,728 2,729 5,730 9,739 2,740 2,741 21,742 3,744 2,748 1,749 2,751 1,757 21,758 9,759 5,760 9,764 7,769 0.4,770 2,774 1,776 1,781 4,782 1,785 1,786 2,788 2,792 1,795 2,800 1,802 2,810 35,811 2,815 1,816 3,821 1,823 1,827 2,829 3.6,831 1,832 1,836 17.5,837 10.117,838 7.611,839 3.188,840 5.969,841 1.683,842 1.018,843 6.116,844 14.712,845 4.016,846 4.649,847 5.273,848 5.912,849 6.537,850 6.89,851 7.364,852 7.831,853 8.324,854 8.674,855 0.889,856 62,857 12.845,859 5.525,860 7.867,861 24.109,863 19.767,865 2.367,866 82.833,870 188.338,871 162.393,872 136.061,874 67.828,877 162.393,878 256.166,879 136.061,881 7.175,882 151.081,883 147.651,884 33.858,885 38.288,886 176.567,888 188.338,889 298.454,890 67.828,893 190.053,894 67.828,897 26.146,898 150.436,899 120.156,901 188.338,902 203.889,903 162.393,906 188.338,907 33.998,908 97.458,909 34.061,910 200.765,911 188.338,912 203.889,913 162.393,915 0.581,916 0.334,917 0.189,918 0.107,919 27,920 12,921 0.067,922 4,923 3,924 1.24,925 4.438,926 350.123,927 0.24,928 25,929 179.525,933 22.491,934 9.518,935 4.691,936 0.743,937 203.889,938 15.624,939 17.179,943 5.655,945 108.478,946 554.62,947 54.5,951 10.832,952 4.091,954 -0.863,956 56.552,957 62.813,958 0.274,959 0.716,960 0.857,961 0.936,962 0.963,963 0.969,964 5.261,965 1.942,966 6.089,967 5.752,968 4.71,969 5.338,970 2.404,971 6.919,972 4.64,973 6.496,974 1.766,975 7.654,976 5.192,977 4.29,978 5.121,979 2.283,980 7.854,981 4.172,982 7.817,983 1.503,984 9.321,985 4.968,986 6.312,987 7.585,988 3.653,989 10.993,990 6.17,991 9.172,992 1.414,993 11.051,994 3.49,995 6.711,996 8.192,997 4.12,998 12.784,999 6.518,1000 10.556,1001 1.335,1002 12.822,1003 3.191,1004 8.203,1005 10.117,1006 5.205,1007 15.444,1008 7.986,1009 11.962,1010 1.011,1011 14.622,1012 2.888,1013 8.997,1014 11.147,1015 5.89,1016 17.59,1017 8.731,1018 13.386,1019 0.969,1020 16.444,1021 2.565,1022 10.275,1023 12.829,1024 6.849,1025 20.086,1026 9.982,1027 3.243,1028 0.636,1029 18.282,1030 2.417,1031 11.261,1032 14.081,1033 7.625,1034 22.383,1035 10.922,1036 3.073,1037 11.497,1038 20.133,1039 1.6,1040 12.454,1041 15.65,1042 8.526,1043 24.822,1044 12.083,1045 2.796,1046 10.175,1047 21.993,1048 4.491,1049 13.529,1050 17.016,1051 9.342,1052 27.184,1053 13.115,1054 2.448,1055 9.505,1056 23.863,1057 4.199,1058 14.692,1059 18.533,1060 10.216,1061 29.606,1062 14.243,1063 2.247,1064 7.456,1065 25.738,1066 3.81,1067 15.808,1068 19.956,1069 11.051,1070 31.999,1071 15.32,1072 2.202,1073 6.653,1074 27.62,1075 3.244,1076 16.962,1077 21.451,1078 11.912,1079 34.418,1080 16.438,1081 2.027,1082 5.802,1083 29.505,1084 2.976,1085 18.099,1086 22.904,1087 12.755,1088 36.827,1089 17.536,1090 16376,1091 28756,1092 26.353,1093 39.279,1094 60.086,1095 59.769,1096 59.803,1097 58.267,1098 58.232,1099 79.622,1100 6.859,1101 168.623,1102 56.228,1103 5.416,1104 5.601,1105 6.562,1106 5.29,1107 5.243,1108 7.491,1109 3.925,1110 19.022,1111 5.137,1112 16.612,1113 1.541,1114 1.533,1115 1.533,1116 1.494,1117 1.493,1118 2.042,1119 0.176,1120 4.324,1121 1.442,1122 4.088,1123 4.126,1124 4.056,1125 4.01,1126 7.474,1127 4.014,1128 3.988,1129 4.029,1130 3.966,1131 3.834,1132 6.351,1133 3.867,1134 3.817,1135 3.842,1136 3.76,1137 3.773,1138 5.342,1139 3.767,1140 3.656,1141 3.688,1142 3.563,1143 3.518,1144 4.99,1145 3.518,1146 3.512,1147 3.579,1148 3.447,1149 3.328,1150 4.918,1151 3.348,1152 3.307,1153 3.355,1154 3.212,1155 3.226,1156 4.854,1157 3.213,1158 3.257,1159 3.282,1160 3.195,1161 3.089,1162 4.728,1163 3.114,1164 3.126,1165 3.22,1166 3.03,1167 2.901,1168 4.47,1169 2.925,1170 0.117,1171 0.092,1172 0.176,1173 0.108,1174 0.083,1175 4.567,1176 0.115,1177 3.601,1178 0.06,1179 6.872,1180 0.295,1181 4.208,1182 0.08,1183 3.243,1184 4.491,1185 2.341,1186 11.497,1187 3.137,1188 1.958,1189 1.932,1190 2.032,1191 2.117,1192 1.185,1193 2.083,1194 1.926,1195 1.901,1196 2.021,1197 2.008,1198 1.135,1199 2.004,1200 1.886,1201 1.848,1202 1.937,1203 1.982,1204 1.062,1205 1.994,1206 1.628,1207 1.591,1208 1.828,1209 1.807,1210 0.972,1211 1.809,1212 1.441,1213 1.382,1214 1.598,1215 1.66,1216 0.715,1217 1.646,1218 1.327,1219 1.284,1220 1.528,1221 1.447,1222 0.571,1223 1.477,1224 1.17,1225 1.153,1226 1.306,1227 1.392,1228 0.276,1229 1.371,1230 1.059,1231 0.993,1232 1.272,1233 1.374,1234 0.231,1235 1.348,1236 4.369,1238 5.7,1240 7.226,1241 2.708,1242 8.851,1243 5.38,1244 10.53,1250 11.707,1251 8.893,1252 0.705,1257 2.15,1261 6.116,1262 38.267,1263 89.11,1264 232.831,1265 278.806,1266 304.457,1267 313.212,1268 315.212,1269 56.027,1270 8.743,1271 145.83,1272 145.83,1273 31,1274 12.9,1275 4.755,1276 4.044,1277 51.935,1278 144,1279 187,1280 0.169,1281 234.846,1282 407.94,1283 564.784,1284 89823,1286 24.363,1287 0.696,1288 0.533,1289 24.363,1290 18.641,1291 16.991,1292 0.436,1293 0.28,1294 10.788,1295 16.428,1296 10.586,1297 8.746,1298 16.991,1299 10.923,1300 15.539,1301 0.283,1302 0.144,1303 15.539,1304 7.913,1305 12.785,1306 0.173,1307 0.075,1308 12.785,1309 5.539,1310 11.295,1311 0.111,1312 0.039,1313 11.295,1314 3.968,1315 9.61,1316 0.07,1317 0.021,1318 9.61,1319 2.812,1320 0.262,1321 105.896,1322 0.195,1323 31.829,1324 0.474,1325 188,1326 554.735,1327 205.389,1328 550.687,1329 761.58,1330 514,1331 223,1332 573.793,1333 239.479,1334 583.837,1335 854.67,1336 551,1337 6.252}
{0 CHEMBL189796,1 1.615,2 13.613,3 3.053,4 9.323,5 117.575,6 7.337,7 0.515,8 4.153,9 4.274,10 3.688,11 3.608,12 5.308,13 3.609,14 4.673,15 4.851,16 4.022,17 3.956,18 5.817,19 3.936,20 4.842,21 5.023,22 4.105,23 4.1,24 5.916,25 4.074,26 4.932,27 5.114,28 4.094,29 4.16,30 6.071,31 4.101,32 5.044,33 5.276,34 3.971,35 4.172,36 6.095,37 4.068,38 4.976,39 5.236,40 3.908,41 4.104,42 5.872,43 3.99,44 4.912,45 5.143,46 3.917,47 4.011,48 5.909,49 3.937,50 4.857,51 5.084,52 3.857,53 3.937,54 5.911,55 3.867,56 0.088,57 0.84,58 12.305,59 4.996,60 13.883,61 6.658,62 0.501,63 1.242,64 23.483,65 8.463,66 47.681,67 11.262,68 0.46,69 1.451,70 27.962,71 9.307,72 44.286,73 12.789,74 0.541,75 1.584,76 30.392,77 10.733,78 62.942,79 14.537,80 0.885,81 1.652,82 36.113,83 10.969,84 89.388,85 16.292,86 0.431,87 1.507,88 33.783,89 11.468,90 48.621,91 17.051,92 0.544,93 1.366,94 31.948,95 10.263,96 53.038,97 14.598,98 0.667,99 1.295,100 30.416,101 9.06,102 63.186,103 13.045,104 47,105 45,106 0.264,107 0.614,108 0.836,109 0.872,110 0.878,111 0.878,112 3.471,113 0.914,114 -4.28,115 -4.22,116 -3.98,119 37.9,120 2,121 3,124 1,125 2,139 3,140 4,141 2,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,166 8,169 3,170 12,172 3,173 3,175 1,178 8,180 1,182 12,187 1,189 7,191 1,192 1,193 9,195 3,196 3,197 1,198 3,200 2,201 8,204 3,205 1,206 3,207 5,212 2,215 9,218 2,220 1,221 6,226 3,229 6,231 3,233 1,234 11,239 2,241 4,243 2,245 2,246 7,248 1,249 1,251 2,254 2,256 2,259 2,260 5,262 1,263 1,265 2,268 5,270 2,273 1850,274 20.809,275 20.809,276 20.809,277 20.809,278 20.809,279 18.521,280 27.911,281 12.388,282 21.546,283 16.176,284 16.176,285 16.176,286 16.176,287 16.176,288 12.598,289 34.905,290 5.722,291 17.155,292 4.243,293 2.099,294 0.742,295 0.522,296 0.487,297 0.487,298 4.152,301 1,302 1,303 881,304 3.937,307 280.931,311 146.391,314 2.142,315 35.081,318 1,319 0.67,320 0.83,321 1,322 1,323 1,324 1,325 0.93,326 68.5,327 422,328 4.657,329 3.681,330 6.838,331 4.194,332 3.219,333 4.617,334 2.443,335 11.245,336 3.142,337 4.279,338 3.356,339 6.206,340 3.882,341 2.915,342 3.922,343 0.86,344 9.303,345 2.818,346 3.886,347 3.167,348 5.769,349 3.467,350 2.512,351 3.395,352 0.86,353 7.764,354 2.398,355 3.657,356 2.775,357 5.253,358 3.351,359 2.378,360 2.876,361 0.68,362 6.641,363 2.294,364 3.556,365 2.666,366 5.097,367 3.177,368 2.255,369 2.858,370 0.286,371 6.063,372 2.068,373 3.452,374 2.233,375 5.028,376 2.977,377 2.043,378 2.821,380 5.914,381 1.901,382 3.374,383 2.061,384 5.01,385 2.899,386 1.976,387 2.691,389 5.795,390 1.819,391 2.877,392 1.903,393 4.43,394 2.501,395 1.537,396 2.01,398 4.186,399 1.477,400 2.69,401 1.824,402 4.15,403 2.403,404 1.457,405 1.76,407 3.392,408 1.366,409 2.522,410 1.717,411 3.605,412 2.255,413 1.299,414 1.517,415 3.022,416 1.238,417 2.121,418 1.489,419 3.209,420 1.954,421 1.027,422 1.079,423 1.786,424 0.937,425 1.907,426 1.154,427 3.124,428 1.612,429 0.702,430 0.811,431 1.352,432 0.63,433 1.655,434 0.953,435 2.881,436 1.342,437 0.393,438 0.472,439 0.917,440 0.37,441 1.462,442 0.649,443 2.821,444 1.208,445 0.293,446 0.326,448 0.534,449 0.264,450 1.202,451 0.336,452 2.68,453 0.839,454 -0.107,455 -0.133,457 -0.277,458 -0.1,459 14.333,460 0.462,461 0.75,462 0.024,463 39.75,464 1.282,465 19.5,466 0.629,467 20.25,468 0.653,469 27.196,470 0.877,471 34.867,472 0.601,473 31.752,474 1.024,475 7.927,476 0.256,477 6.995,478 0.226,479 0.184,481 0.349,485 0.904,486 1.385,487 0.821,488 1.213,489 0.859,490 1.021,491 0.949,492 0.896,493 0.789,494 0.921,495 0.59,496 0.851,497 1.291,498 1.132,499 0.975,500 0.982,501 1.066,502 0.93,503 1.124,504 1.187,505 1.141,506 1.234,507 1.121,508 1.214,509 0.92,510 0.974,511 1.163,512 1.012,513 1.162,514 1.105,515 0.603,516 0.988,517 0.83,518 1.047,519 0.504,520 0.99,521 1.106,522 1.031,523 0.941,524 1.025,525 0.718,526 0.973,527 1.214,528 0.977,529 1.056,530 0.975,531 1.044,532 0.99,533 6.5,534 0.215,535 3.333,536 2.438,537 2.022,538 0.847,539 0.731,540 0.479,541 0.39,542 0.281,543 12813,544 37730,545 1.993,546 46.6,547 5,548 10,550 1,551 4,552 2,553 5,555 1.736,556 1.842,557 3.667,558 1.632,560 1,564 93.664,565 1.615,566 3.759,567 5.116,568 5.336,569 5.371,570 5.371,571 3.216,572 4.761,573 4.918,574 3.862,575 1795.62,576 8.593,577 26328.6,579 1,581 1,582 339.763,583 1.492,584 4.869,585 0.197,586 0.009,587 0.074,588 0.05,589 0.044,590 0.022,591 0.019,592 0.013,593 0.011,594 0.009,595 0.447,597 1,598 1.832,599 163.132,600 -0.085,601 -0.118,602 0.036,603 -0.069,604 -0.123,605 0.004,606 0.106,607 0.191,608 0.159,609 0.137,610 0.177,611 0.147,612 -0.201,613 -0.053,614 -0.022,615 0.064,616 -0.145,617 0.056,618 -0.102,619 -0.102,620 -0.201,621 -0.186,622 -0.062,623 -0.224,624 0.005,625 0.048,626 -0.196,627 -0.031,628 -0.129,629 -0.128,630 0.069,631 -0.033,632 0.116,633 -0.025,634 0.062,635 0.048,636 -0.063,637 -0.093,638 0.047,639 -0.015,640 0.023,641 0.028,642 -0.069,643 -0.012,644 -0.052,645 -0.002,646 -0.062,647 -0.023,648 1.884,649 4.438,650 0.516,651 36.895,652 1.009,653 1.136,654 3.053,655 9.32,656 0.642,657 3.526,658 3.829,659 4.078,660 4.331,661 4.533,662 4.625,663 4.7,664 4.812,665 4.949,666 4.977,667 7.691,668 0.617,669 425.54,670 3.526,671 5.056,672 5.894,673 6.767,674 7.626,675 8.509,676 9.378,677 10.266,678 11.143,679 12.035,680 8.6,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 2,718 58,719 18,720 1,721 33,723 60,724 22,725 13,726 3,727 3,729 3,730 4,734 2,739 3,741 14,742 8,744 1,748 1,751 1,754 1,757 27,758 9,759 4,760 9,764 5,769 0.667,770 4,775 1,776 1,781 3,785 1,793 1,802 2,806 3,810 31,811 2,816 5,818 3,829 6.9,832 1,834 3,836 16.833,837 11.267,838 7.056,839 3.449,840 3.536,841 1.465,842 0.952,843 7.743,844 11.141,845 3.773,846 4.382,847 4.963,848 5.563,849 6.134,850 6.451,851 6.803,852 7.22,853 7.656,854 7.861,855 1,856 49,857 11.412,859 4.683,860 7.844,861 21.492,863 16.799,865 2.344,866 72.667,869 1,870 270.735,871 118.548,872 116.151,874 58.145,877 118.548,878 328.88,879 116.151,880 28.533,881 16.788,882 94.223,883 94.464,884 66.379,885 4.227,886 258.964,888 270.735,889 234.699,890 58.145,893 213.595,894 117,897 45.385,898 137.242,899 50.357,901 270.735,902 174.296,903 118.548,906 270.735,907 52.539,908 66.01,910 174.296,911 270.735,912 174.296,913 118.548,915 0.571,916 0.335,917 0.182,918 0.093,919 19,920 10,921 0.167,922 10,923 1,924 1.125,925 4.177,926 266.42,927 0.125,928 16,929 151.58,933 22.883,934 10.49,935 5.672,936 1.161,937 174.296,938 7.385,939 12.611,943 4.668,945 65.794,946 563.579,947 42.5,951 11.438,954 -0.217,956 58.538,957 65.896,958 0.276,959 0.642,960 0.873,961 0.911,962 0.917,963 0.917,964 4.999,965 1.537,966 5.878,967 5.795,968 4.511,969 5.069,970 2.703,971 6.681,972 4.411,973 6.211,974 1.457,975 7.434,976 4.186,977 4.111,978 4.997,979 2.243,980 7.582,981 3.997,982 7.527,983 1.299,984 9.091,985 3.392,986 6.094,987 7.323,988 3.896,989 10.688,990 5.922,991 8.881,992 1.027,993 10.808,994 3.022,995 6.494,996 8.061,997 4.269,998 12.429,999 6.317,1000 10.266,1001 0.702,1002 12.563,1003 1.786,1004 7.958,1005 9.9,1006 5.494,1007 15.075,1008 7.738,1009 11.675,1010 0.393,1011 14.347,1012 1.352,1013 8.744,1014 11.031,1015 6.158,1016 17.188,1017 8.518,1018 13.102,1019 0.293,1020 16.152,1021 0.917,1022 10.003,1023 12.677,1024 7.209,1025 19.677,1026 9.745,1027 3.219,1028 -0.107,1029 17.975,1030 0.534,1031 10.979,1032 14.006,1033 7.992,1034 21.957,1035 10.709,1036 2.915,1037 11.245,1038 19.812,1039 -0.277,1040 12.159,1041 15.573,1042 8.963,1043 24.39,1044 11.864,1045 2.512,1046 9.303,1047 21.662,1048 4.617,1049 13.226,1050 17.001,1051 9.802,1052 26.743,1053 12.914,1054 2.378,1055 7.764,1056 23.521,1057 3.922,1058 14.38,1059 18.536,1060 10.734,1061 29.159,1062 14.045,1063 2.255,1064 6.641,1065 25.39,1066 3.395,1067 15.49,1068 20.012,1069 11.599,1070 31.544,1071 15.137,1072 2.043,1073 6.063,1074 27.265,1075 2.876,1076 16.638,1077 21.537,1078 12.512,1079 33.957,1080 16.262,1081 1.976,1082 5.914,1083 29.147,1084 2.858,1085 17.771,1086 23.037,1087 13.391,1088 36.358,1089 17.374,1090 12742,1091 21992,1092 21.383,1093 37.222,1094 48.129,1095 49.855,1096 50.473,1097 47.972,1098 48.015,1099 62.313,1100 10.258,1101 135.825,1102 45.445,1103 5.578,1104 5.681,1105 6.617,1106 5.269,1107 5.219,1108 7.617,1109 4.174,1110 18.52,1111 5.142,1112 18.531,1113 1.458,1114 1.511,1115 1.529,1116 1.454,1117 1.455,1118 1.888,1119 0.311,1120 4.116,1121 1.377,1122 4.084,1123 4.12,1124 4.058,1125 3.984,1126 7.432,1127 3.996,1128 3.912,1129 3.932,1130 3.868,1131 3.814,1132 5.321,1133 3.824,1134 3.712,1135 3.745,1136 3.607,1137 3.525,1138 4.982,1139 3.533,1140 3.517,1141 3.579,1142 3.448,1143 3.336,1144 4.909,1145 3.357,1146 3.465,1147 3.534,1148 3.293,1149 3.257,1150 4.793,1151 3.249,1152 3.268,1153 3.322,1154 3.108,1155 3.004,1156 4.574,1157 3.02,1158 3.182,1159 3.275,1160 3.052,1161 2.968,1162 4.464,1163 2.969,1164 3.135,1165 3.192,1166 2.963,1167 2.867,1168 4.204,1169 2.882,1170 0.141,1171 0.112,1172 0.207,1173 0.127,1174 0.098,1175 4.657,1176 0.14,1177 3.681,1178 0.074,1179 6.838,1180 0.341,1181 4.194,1182 0.095,1183 3.219,1184 4.617,1185 2.443,1186 11.245,1187 3.142,1188 2.014,1189 1.988,1190 2.084,1191 2.137,1192 1.279,1193 2.119,1194 1.87,1195 1.85,1196 1.96,1197 1.993,1198 1.197,1199 1.984,1200 1.656,1201 1.614,1202 1.884,1203 1.869,1204 1.062,1205 1.87,1206 1.464,1207 1.401,1208 1.788,1209 1.707,1210 0.936,1211 1.733,1212 1.442,1213 1.376,1214 1.606,1215 1.663,1216 0.677,1217 1.656,1218 1.199,1219 1.138,1220 1.568,1221 1.515,1222 0.574,1223 1.53,1224 1.17,1225 1.086,1226 1.499,1227 1.421,1228 0.558,1229 1.444,1230 1.059,1231 1.005,1232 1.343,1233 1.363,1234 0.515,1235 1.352,1236 4.205,1238 5.509,1240 7.013,1242 8.62,1244 10.286,1246 5.368,1250 11.734,1252 2.261,1254 16.257,1262 35.761,1263 93.664,1264 218.033,1265 296.743,1266 309.498,1267 311.498,1268 311.498,1269 63.979,1270 7.605,1271 135.47,1272 135.47,1273 18,1274 12.566,1275 4.248,1276 3.392,1277 58.368,1278 138,1279 180,1280 0.2,1281 223.232,1282 385.78,1283 536.445,1284 21638,1286 22.38,1287 0.722,1288 0.58,1289 22.38,1290 17.974,1291 14.922,1292 0.452,1293 0.305,1294 9.862,1295 14.145,1296 9.559,1297 7.965,1298 14.922,1299 10.05,1300 13.109,1301 0.291,1302 0.155,1303 13.109,1304 6.982,1305 10.659,1306 0.184,1307 0.084,1308 10.659,1309 4.867,1310 9.086,1311 0.121,1312 0.045,1313 9.086,1314 3.339,1315 6.7,1316 0.073,1317 0.023,1318 6.7,1319 2.1,1320 0.319,1321 94.891,1322 0.216,1323 29.482,1324 0.534,1325 156,1326 516.502,1327 176.448,1328 486.032,1329 659.35,1330 456,1331 181,1332 480.88,1333 199.291,1334 482.371,1335 702.49,1336 452,1337 8.377}
{0 CHEMBL189952,1 1.66,2 12.103,3 2.454,4 6.02,5 108.057,6 7.644,7 0.548,8 4.057,9 4.175,10 3.62,11 3.518,12 5.272,13 3.529,14 4.553,15 4.719,16 3.969,17 3.878,18 5.799,19 3.867,20 4.742,21 4.911,22 4.042,23 4.031,24 5.865,25 4.008,26 4.86,27 5.049,28 4.024,29 4.082,30 5.994,31 4.023,32 4.941,33 5.174,34 3.912,35 4.077,36 6.031,37 3.982,38 4.854,39 5.104,40 3.845,41 4.002,42 5.805,43 3.904,44 4.775,45 4.988,46 3.856,47 3.921,48 5.844,49 3.859,50 4.759,51 4.979,52 3.783,53 3.847,54 5.881,55 3.78,56 0.133,57 0.767,58 10.476,59 4.349,60 19.414,61 5.575,62 0.472,63 1.144,64 19.626,65 7.506,66 59.522,67 9.735,68 0.453,69 1.354,70 23.869,71 8.405,72 53.878,73 11.182,74 0.564,75 1.479,76 27.524,77 9.921,78 65.226,79 13.318,80 0.867,81 1.513,82 32.047,83 9.767,84 90.491,85 14.391,86 0.48,87 1.357,88 29.587,89 10.03,90 53.377,91 14.674,92 0.523,93 1.238,94 26.804,95 8.999,96 50.331,97 12.448,98 0.637,99 1.195,100 26.794,101 8.215,102 67.964,103 11.645,104 45,105 43,106 0.277,107 0.664,108 0.848,109 0.876,110 0.883,111 0.883,112 3.408,113 0.878,114 -3.84,115 -3.8,116 -3.61,119 38.5,120 1,121 3,124 1,125 1,139 3,140 4,141 2,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 8,167 1,169 2,170 10,172 3,173 4,175 2,178 8,179 1,180 1,182 11,187 2,189 7,191 1,192 1,193 8,194 1,195 3,196 3,197 1,198 3,200 2,201 7,204 3,205 1,206 2,207 5,210 1,212 2,215 8,218 2,220 1,221 6,226 3,229 6,230 2,231 3,233 1,234 8,239 4,241 4,242 2,243 2,245 2,246 5,248 1,249 1,251 4,254 2,255 1,256 2,259 2,260 4,261 1,262 1,263 1,265 3,268 3,269 1,270 2,273 1465,274 19.231,275 19.231,276 19.231,277 19.231,278 19.231,279 16.891,280 25.82,281 11.319,282 19.78,283 15.227,284 15.227,285 15.227,286 15.227,287 15.227,288 11.631,289 33.289,290 5.306,291 16.019,292 4.04,293 1.722,294 0.62,295 0.452,296 0.414,297 0.414,298 4.087,301 1,302 1,303 733,304 3.674,307 254.336,311 132.487,314 1.914,315 35.44,318 1,319 0.83,320 1,321 1,322 0.5,323 0.83,324 0.5,325 0.81,326 64.5,327 351,328 4.657,329 3.596,330 6.838,331 4.194,332 3.219,333 4.617,334 2.341,335 11.245,336 3.142,337 4.278,338 3.356,339 6.206,340 3.882,341 2.915,342 3.922,343 0.86,344 9.303,345 2.818,346 3.886,347 3.167,348 5.769,349 3.467,350 2.512,351 3.395,352 0.86,353 7.764,354 2.398,355 3.574,356 2.775,357 5.252,358 3.252,359 2.291,360 2.874,361 0.68,362 6.64,363 2.218,364 3.533,365 2.666,366 5.097,367 3.161,368 2.199,369 2.858,371 5.914,372 2.064,373 3.452,374 2.233,375 5.01,376 2.976,377 2.043,378 2.709,380 5.795,381 1.901,382 3.373,383 2.061,384 4.657,385 2.899,386 1.976,387 2.69,389 5.177,390 1.819,391 2.877,392 1.901,393 4.43,394 2.501,395 1.536,396 2.01,398 4.185,399 1.477,400 2.69,401 1.722,402 4.15,403 2.336,404 1.377,405 1.76,407 3.391,408 1.307,409 2.493,410 1.489,411 3.511,412 2.254,413 1.298,414 1.476,415 2.858,416 1.238,417 1.912,418 1.155,419 3.205,420 1.62,421 0.715,422 0.823,423 1.415,424 0.638,425 1.657,426 0.963,427 2.946,428 1.348,429 0.402,430 0.479,431 0.969,432 0.377,433 1.466,434 0.649,435 2.823,436 1.213,437 0.303,438 0.339,439 0.565,440 0.272,441 1.202,442 0.445,443 2.726,444 0.839,445 -0.107,446 -0.133,448 -0.277,449 -0.1,450 1.073,451 0.157,452 2.616,453 0.695,454 -0.246,455 -0.3,457 -0.509,458 -0.229,459 13.333,460 0.46,461 0.788,462 0.027,463 38.5,464 1.328,465 19.5,466 0.672,467 19,468 0.655,469 23.851,470 0.822,471 32.267,472 0.621,473 30.466,474 1.051,475 7.746,476 0.267,477 6.139,478 0.212,479 0.185,481 0.375,485 0.946,486 1.308,487 0.807,488 1.111,489 0.914,490 0.946,491 0.804,492 0.895,493 0.745,494 0.928,495 0.462,496 0.852,497 1.17,498 1.195,499 1.003,500 1.058,501 1.011,502 1.008,503 0.973,504 1.145,505 1.086,506 1.206,507 0.791,508 1.193,509 0.801,510 0.954,511 1.12,512 0.995,513 0.815,514 1.089,515 0.639,516 0.964,517 0.848,518 1.027,519 0.468,520 0.987,521 1.032,522 1.088,523 0.97,524 1.097,525 0.656,526 1.043,527 1.078,528 1.056,529 1.081,530 1.085,531 1.012,532 1.089,533 6.5,534 0.194,535 3.111,536 2.313,537 2.022,538 0.847,539 0.731,540 0.479,541 0.39,542 0.271,543 10315,544 33532,545 1.993,546 44.2,547 5,548 8,550 1,551 5,552 2,553 2,555 1.72,556 1.832,557 3.517,558 2.494,559 1,560 1,564 86.333,565 1.66,566 3.978,567 5.08,568 5.248,569 5.287,570 5.287,571 3.069,572 4.789,573 4.823,574 3.718,575 1509.53,576 8.409,577 20669.2,579 1,581 1,582 296.423,583 1.519,584 4.768,585 0.21,586 0.009,587 0.072,588 0.05,589 0.047,590 0.023,591 0.02,592 0.013,593 0.012,594 0.01,595 0.467,596 0.17,597 1,598 1.574,599 148.161,600 -0.134,601 -0.061,602 0.01,603 0.003,604 -0.159,605 0.041,606 0.126,607 0.21,608 0.158,609 0.137,610 0.237,611 0.142,612 -0.203,613 -0.103,614 -0.095,615 -0.007,616 -0.171,617 -0.026,618 -0.071,619 -0.087,620 -0.167,621 -0.169,622 -0.044,623 -0.201,624 0.037,625 0.061,626 -0.163,627 -0.018,628 -0.058,629 -0.105,630 0.047,631 -0.009,632 0.104,633 -0.002,634 0.047,635 0.058,636 -0.069,637 -0.128,638 -0.004,639 -0.069,640 0.016,641 -0.033,642 -0.047,643 -0.088,644 -0.095,645 -0.104,646 -0.073,647 -0.112,648 2.506,649 3.616,650 0.552,651 31.194,652 1.015,653 1.136,654 2.611,655 6.818,656 0.648,657 3.466,658 3.784,659 4.025,660 4.29,661 4.511,662 4.605,663 4.682,664 4.787,665 4.92,666 4.942,667 7.024,668 0.629,669 397.48,670 3.466,671 5.004,672 5.844,673 6.723,674 7.584,675 8.472,676 9.344,677 10.236,678 11.116,679 12.012,680 9.6,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 2,718 52,719 18,720 1,721 31,723 54,724 20,725 13,726 3,727 3,729 3,730 4,734 1,739 3,741 14,742 6,744 1,748 1,751 1,754 1,757 23,758 9,759 5,760 9,764 5,769 0.667,770 4,775 1,776 1,781 3,785 1,792 1,800 1,802 2,806 2,810 29,811 2,815 1,816 4,818 2,829 7.7,831 1,832 1,834 2,836 15.833,837 9.8,838 6.472,839 2.874,840 3.542,841 1.473,842 0.948,843 6.595,844 11.029,845 3.726,846 4.357,847 4.934,848 5.547,849 6.13,850 6.447,851 6.801,852 7.217,853 7.652,854 7.856,855 1,856 46,857 10.653,859 4.44,860 7.971,861 19.842,863 15.687,865 2.471,866 71.667,869 1,870 211.88,871 98.849,872 116.151,874 89.828,877 98.849,878 301.708,879 116.151,880 19.708,881 12.196,882 94.223,883 130.866,884 55.379,885 4.227,886 200.109,888 211.88,889 215,890 89.828,893 190.053,894 113.37,897 31.968,898 130.961,899 50.357,901 211.88,902 205.979,903 98.849,906 211.88,907 41.665,908 57.184,910 205.979,911 211.88,912 205.979,913 98.849,915 0.578,916 0.33,917 0.178,918 0.095,919 19,920 10,921 0.148,922 8,923 1,924 1.125,925 3.97,926 246.956,927 0.125,928 16,929 140.881,933 20.93,934 9.137,935 4.981,936 1.135,937 205.979,938 7.239,939 12.543,943 4.506,945 108.478,946 516.708,947 40.5,951 10.616,954 -0.84,956 52.771,957 59.066,958 0.291,959 0.698,960 0.891,961 0.921,962 0.927,963 0.927,964 4.958,965 1.536,966 5.838,967 5.177,968 4.466,969 5.043,970 2.599,971 6.648,972 4.375,973 6.183,974 1.377,975 7.399,976 4.185,977 4.111,978 4.997,979 2.243,980 7.564,981 3.997,982 7.504,983 1.298,984 9.06,985 3.391,986 6.057,987 7.309,988 3.696,989 10.667,990 5.899,991 8.862,992 0.715,993 10.78,994 2.858,995 6.479,996 8.054,997 4.112,998 12.415,999 6.306,1000 10.249,1001 0.402,1002 12.538,1003 1.415,1004 7.928,1005 9.892,1006 5.211,1007 15.065,1008 7.721,1009 11.659,1010 0.303,1011 14.324,1012 0.969,1013 8.726,1014 11.026,1015 5.889,1016 17.182,1017 8.505,1018 13.087,1019 -0.107,1020 16.132,1021 0.565,1022 9.981,1023 12.673,1024 6.85,1025 19.673,1026 9.733,1027 3.219,1028 -0.246,1029 17.958,1030 -0.277,1031 10.964,1032 14.004,1033 7.625,1034 21.954,1035 10.699,1036 2.915,1037 11.245,1038 19.798,1039 -0.509,1040 12.144,1041 15.571,1042 8.526,1043 24.389,1044 11.855,1045 2.512,1046 9.303,1047 21.65,1048 4.617,1049 13.215,1050 16.999,1051 9.342,1052 26.742,1053 12.907,1054 2.291,1055 7.764,1056 23.512,1057 3.922,1058 14.37,1059 18.535,1060 10.216,1061 29.159,1062 14.039,1063 2.199,1064 6.64,1065 25.382,1066 3.395,1067 15.483,1068 20.012,1069 11.051,1070 31.544,1071 15.132,1072 2.043,1073 5.914,1074 27.259,1075 2.874,1076 16.632,1077 21.536,1078 11.912,1079 33.956,1080 16.259,1081 1.976,1082 5.795,1083 29.142,1084 2.858,1085 17.766,1086 23.036,1087 12.755,1088 36.357,1089 17.371,1090 10267,1091 18614,1092 19.997,1093 33.699,1094 45.732,1095 47.126,1096 47.656,1097 45.55,1098 45.57,1099 59.903,1100 9.482,1101 130.438,1102 43.336,1103 5.545,1104 5.596,1105 6.526,1106 5.269,1107 5.219,1108 7.617,1109 3.925,1110 18.52,1111 5.142,1112 17.639,1113 1.475,1114 1.52,1115 1.537,1116 1.469,1117 1.47,1118 1.932,1119 0.306,1120 4.208,1121 1.398,1122 4.084,1123 4.119,1124 4.057,1125 3.984,1126 7.474,1127 3.996,1128 3.911,1129 3.931,1130 3.867,1131 3.814,1132 6.351,1133 3.824,1134 3.683,1135 3.721,1136 3.57,1137 3.508,1138 5.321,1139 3.511,1140 3.511,1141 3.575,1142 3.445,1143 3.335,1144 4.982,1145 3.355,1146 3.307,1147 3.338,1148 3.2,1149 3.018,1150 4.909,1151 3.049,1152 3.194,1153 3.276,1154 3.052,1155 2.971,1156 4.793,1157 2.97,1158 3.17,1159 3.233,1160 3.003,1161 2.891,1162 4.572,1163 2.909,1164 3.053,1165 3.153,1166 2.929,1167 2.849,1168 4.204,1169 2.864,1170 0.15,1171 0.116,1172 0.221,1173 0.135,1174 0.104,1175 4.657,1176 0.149,1177 3.596,1178 0.076,1179 6.838,1180 0.363,1181 4.194,1182 0.101,1183 3.219,1184 4.617,1185 2.341,1186 11.245,1187 3.142,1188 2.014,1189 1.988,1190 2.084,1191 2.137,1192 1.279,1193 2.119,1194 1.87,1195 1.85,1196 1.959,1197 1.993,1198 1.193,1199 1.983,1200 1.642,1201 1.596,1202 1.874,1203 1.844,1204 1.061,1205 1.851,1206 1.447,1207 1.391,1208 1.607,1209 1.668,1210 0.677,1211 1.657,1212 1.205,1213 1.153,1214 1.568,1215 1.529,1216 0.574,1217 1.533,1218 1.171,1219 1.086,1220 1.5,1221 1.438,1222 0.558,1223 1.449,1224 1.09,1225 1.04,1226 1.36,1227 1.404,1228 0.511,1229 1.392,1230 1.006,1231 0.93,1232 1.267,1233 1.34,1234 0.206,1235 1.341,1236 4.143,1238 5.46,1240 6.971,1242 8.584,1244 10.256,1246 3.542,1250 11.684,1251 8.72,1252 1.365,1254 11.155,1262 32.707,1263 86.333,1264 206.855,1265 264.158,1266 272.913,1267 274.913,1268 274.913,1269 59.508,1270 7.488,1271 146.47,1272 146.47,1273 18,1274 12.54,1275 4.248,1276 3.392,1277 52.494,1278 119,1279 140,1280 0.213,1281 204.047,1282 351.18,1283 489.635,1284 18149,1286 20.966,1287 0.723,1288 0.562,1289 20.966,1290 16.306,1291 13.884,1292 0.448,1293 0.293,1294 8.904,1295 13.18,1296 8.654,1297 7.196,1298 13.884,1299 9.074,1300 12.609,1301 0.293,1302 0.153,1303 12.609,1304 6.57,1305 9.962,1306 0.181,1307 0.083,1308 9.962,1309 4.571,1310 8.509,1311 0.118,1312 0.043,1313 8.509,1314 3.113,1315 6.495,1316 0.072,1317 0.022,1318 6.495,1319 1.98,1320 0.335,1321 88.332,1322 0.224,1323 27.669,1324 0.578,1325 148,1326 496.916,1327 167.009,1328 472.444,1329 635.15,1330 440,1331 172,1332 460.455,1333 188.63,1334 464.438,1335 673.51,1336 434,1337 8.658}
{0 CHEMBL189953,1 1.594,2 14.438,3 3.51,4 12.317,5 122.176,6 7.206,7 0.5,8 4.197,9 4.32,10 3.717,11 3.655,12 5.333,13 3.649,14 4.725,15 4.907,16 4.046,17 4.006,18 5.844,19 3.977,20 4.906,21 5.097,22 4.127,23 4.151,24 5.949,25 4.113,26 4.99,27 5.181,28 4.117,29 4.207,30 6.098,31 4.139,32 5.096,33 5.335,34 3.987,35 4.211,36 6.092,37 4.107,38 5.032,39 5.286,40 3.951,41 4.144,42 5.985,43 4.029,44 4.944,45 5.179,46 3.913,47 4.078,48 5.873,49 3.981,50 4.937,51 5.181,52 3.89,53 4.015,54 5.934,55 3.922,56 0.076,57 0.878,58 13.231,59 5.328,60 13.264,61 7.194,62 0.489,63 1.305,64 25.033,65 9.033,66 47.569,67 12.169,68 0.446,69 1.529,70 30.345,71 10.06,72 44.04,73 14.093,74 0.531,75 1.661,76 32.854,77 11.49,78 63.944,79 15.84,80 0.717,81 1.721,82 38.325,83 11.608,84 80.008,85 17.292,86 0.68,87 1.565,88 36.203,89 11.923,90 68.198,91 17.648,92 0.466,93 1.45,94 32.639,95 10.989,96 46.076,97 15.846,98 0.573,99 1.407,100 32.908,101 10.215,102 57.693,103 15.129,104 48,105 46,106 0.258,107 0.601,108 0.83,109 0.874,110 0.879,111 0.879,112 3.502,113 0.931,114 -4.5,115 -4.42,116 -4.17,119 37.7,120 2,121 4,124 1,125 2,139 3,140 4,141 2,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,166 9,169 3,170 12,172 3,173 3,175 1,178 9,180 1,182 12,187 1,189 7,191 1,192 1,193 12,195 3,196 3,197 1,198 3,200 2,201 8,204 3,205 1,206 1,207 5,212 2,215 9,218 2,220 3,221 6,226 3,229 9,231 3,233 1,234 6,239 2,241 6,243 2,245 2,246 8,248 1,249 1,251 2,254 3,256 2,259 2,260 8,262 1,263 1,265 2,268 4,270 2,273 2072,274 21.516,275 21.516,276 21.516,277 21.516,278 21.516,279 19.228,280 27.911,281 12.888,282 22.253,283 16.676,284 16.676,285 16.676,286 16.676,287 16.676,288 13.098,289 33.597,290 5.972,291 17.655,292 4.337,293 2.217,294 0.804,295 0.529,296 0.496,297 0.496,298 4.183,301 1,302 1,303 964,304 4.062,307 294.885,311 153.713,314 2.25,315 35.306,318 1,319 0.67,320 0.83,321 1,322 1,323 0.83,324 0.5,325 0.83,326 70.5,327 462,328 4.657,329 3.681,330 6.838,331 4.194,332 3.219,333 4.617,334 2.443,335 11.245,336 3.142,337 4.278,338 3.356,339 6.206,340 3.882,341 2.915,342 3.922,343 0.86,344 9.303,345 2.818,346 3.886,347 3.167,348 5.769,349 3.467,350 2.512,351 3.395,352 0.86,353 7.764,354 2.398,355 3.656,356 2.776,357 5.252,358 3.351,359 2.375,360 2.874,361 0.68,362 6.639,363 2.297,364 3.559,365 2.666,366 5.097,367 3.185,368 2.265,369 2.858,370 0.286,371 6.066,372 2.074,373 3.452,374 2.233,375 5.029,376 2.977,377 2.043,378 2.825,380 5.914,381 1.901,382 3.374,383 2.062,384 5.01,385 2.899,386 1.976,387 2.691,389 5.795,390 1.819,391 2.877,392 1.908,393 4.43,394 2.574,395 1.608,396 2.01,398 4.186,399 1.545,400 2.69,401 1.828,402 4.15,403 2.5,404 1.532,405 1.76,407 3.398,408 1.477,409 2.658,410 1.766,411 3.706,412 2.255,413 1.3,414 1.658,415 3.298,416 1.238,417 2.155,418 1.498,419 3.247,420 2.022,421 1.105,422 1.136,423 2.066,424 1,425 1.974,426 1.296,427 3.198,428 1.726,429 0.797,430 0.891,431 1.466,432 0.728,433 1.785,434 1.049,435 2.937,436 1.523,437 0.589,438 0.67,439 1.191,440 0.542,441 1.609,442 0.649,443 2.824,444 1.289,445 0.357,446 0.43,448 0.747,449 0.331,450 1.202,451 0.547,452 2.761,453 0.869,454 -0.066,455 -0.072,457 -0.127,458 -0.061,459 14.833,460 0.464,461 0.75,462 0.023,463 40.25,464 1.258,465 19.5,466 0.609,467 20.75,468 0.648,469 29.039,470 0.907,471 36.167,472 0.593,473 32.057,474 1.002,475 7.927,476 0.248,477 7.495,478 0.234,479 0.178,481 0.337,485 0.898,486 1.39,487 0.838,488 1.224,489 0.851,490 1.04,491 0.937,492 0.922,493 0.809,494 0.952,495 0.582,496 0.883,497 1.252,498 1.12,499 0.962,500 0.982,501 1.032,502 0.931,503 1.097,504 1.175,505 1.119,506 1.217,507 1.093,508 1.195,509 1.081,510 0.986,511 1.165,512 1.015,513 1.243,514 1.082,515 0.682,516 0.94,517 0.894,518 0.993,519 0.676,520 0.985,521 0.938,522 1.074,523 0.952,524 1.083,525 0.623,526 1.04,527 0.938,528 1.026,529 0.958,530 1.042,531 0.699,532 1.012,533 6.5,534 0.21,535 3.333,536 2.438,537 2.022,538 0.903,539 0.649,540 0.51,541 0.378,542 0.275,543 14362,544 41205,545 1.993,546 47.5,547 7,548 10,550 1,551 4,552 2,553 5,555 1.743,556 1.846,557 3.748,558 1.601,560 1,564 97.242,565 1.594,566 3.713,567 5.127,568 5.402,569 5.435,570 5.435,571 3.254,572 4.875,573 4.963,574 3.947,575 1957.81,576 8.677,577 29814.2,579 1,582 361.775,583 1.477,584 4.918,585 0.191,586 0.008,587 0.072,588 0.049,589 0.043,590 0.023,591 0.017,592 0.013,593 0.01,594 0.008,595 0.435,597 0.88,598 1.953,599 171.026,600 -0.077,601 -0.114,602 0.037,603 -0.067,604 -0.109,605 0.003,606 0.113,607 0.17,608 0.145,609 0.113,610 0.184,611 0.123,612 -0.175,613 -0.05,614 0.001,615 0.065,616 -0.119,617 0.065,618 -0.082,619 -0.096,620 -0.169,621 -0.168,622 -0.042,623 -0.196,624 -0.132,625 0.03,626 -0.191,627 -0.036,628 -0.206,629 -0.105,630 0.141,631 0.013,632 0.07,633 0.018,634 0.075,635 0.032,636 -0.03,637 -0.109,638 0.011,639 -0.053,641 -0.022,642 0.034,643 -0.063,644 0.026,645 -0.055,646 0.059,647 -0.022,648 1.84,649 4.408,650 0.5,651 40.641,652 1.007,653 1.136,654 3.268,655 10.678,656 0.639,657 3.555,658 3.85,659 4.094,660 4.344,661 4.543,662 4.635,663 4.7,664 4.82,665 4.949,666 4.977,667 8.123,668 0.611,669 439.57,670 3.555,671 5.081,672 5.916,673 6.786,674 7.642,675 8.521,676 9.389,677 10.275,678 11.15,679 12.041,680 8.2,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 2,718 61,719 18,720 1,721 34,723 63,724 23,725 13,726 3,727 3,729 3,730 4,734 2,739 4,741 14,742 9,744 1,748 1,751 1,754 1,757 29,758 9,759 4,760 9,764 5,769 0.667,770 4,775 1,776 1,781 3,785 1,793 1,802 2,806 3,810 32,811 2,816 6,818 3,829 6.6,832 1,834 3,836 17.333,837 11.767,838 7.306,839 3.699,840 3.533,841 1.461,842 0.949,843 8.341,844 11.193,845 3.795,846 4.394,847 4.97,848 5.566,849 6.137,850 6.452,851 6.8,852 7.219,853 7.652,854 7.855,855 0.9,856 50,857 11.79,859 4.825,860 7.818,861 22.308,863 17.466,865 2.318,866 74.167,869 1,870 294.278,871 121.083,872 116.151,874 58.145,877 121.083,878 352.422,879 116.151,880 28.533,881 19.323,882 94.223,883 94.464,884 66.379,885 4.227,886 282.506,888 294.278,889 237.234,890 58.145,893 237.137,894 117,897 47.92,898 137.242,899 50.357,901 294.278,902 174.296,903 121.083,906 294.278,907 55.073,908 66.01,910 174.296,911 294.278,912 174.296,913 121.083,915 0.568,916 0.332,917 0.18,918 0.092,919 19,920 10,921 0.175,922 11,923 1,924 1.125,925 4.295,926 275.243,927 0.125,928 16,929 160,933 23.862,934 11.185,935 6.141,936 1.174,937 174.296,938 7.474,939 12.639,943 4.771,945 65.794,946 589.656,947 43.5,951 11.408,954 -0.174,956 61.421,957 69.312,958 0.269,959 0.626,960 0.865,961 0.911,962 0.916,963 0.916,964 5.019,965 1.608,966 5.894,967 5.795,968 4.533,969 5.081,970 2.703,971 6.691,972 4.435,973 6.225,974 1.532,975 7.446,976 4.186,977 4.111,978 4.997,979 2.243,980 7.582,981 3.997,982 7.537,983 1.3,984 9.099,985 3.398,986 6.107,987 7.326,988 3.896,989 10.69,990 5.938,991 8.888,992 1.105,993 10.813,994 3.298,995 6.494,996 8.061,997 4.269,998 12.429,999 6.317,1000 10.271,1001 0.797,1002 12.566,1003 2.066,1004 7.965,1005 9.901,1006 5.494,1007 15.076,1008 7.747,1009 11.678,1010 0.589,1011 14.349,1012 1.466,1013 8.744,1014 11.031,1015 6.158,1016 17.188,1017 8.518,1018 13.104,1019 0.357,1020 16.153,1021 1.191,1022 10.006,1023 12.677,1024 7.209,1025 19.677,1026 9.749,1027 3.219,1028 -0.066,1029 17.976,1030 0.747,1031 10.979,1032 14.006,1033 7.992,1034 21.957,1035 10.709,1036 2.915,1037 11.245,1038 19.813,1039 -0.127,1040 12.16,1041 15.573,1042 8.963,1043 24.39,1044 11.866,1045 2.512,1046 9.303,1047 21.662,1048 4.617,1049 13.226,1050 17.001,1051 9.802,1052 26.743,1053 12.915,1054 2.375,1055 7.764,1056 23.522,1057 3.922,1058 14.38,1059 18.536,1060 10.734,1061 29.159,1062 14.046,1063 2.265,1064 6.639,1065 25.39,1066 3.395,1067 15.49,1068 20.012,1069 11.599,1070 31.544,1071 15.137,1072 2.043,1073 6.066,1074 27.265,1075 2.874,1076 16.638,1077 21.537,1078 12.512,1079 33.957,1080 16.263,1081 1.976,1082 5.914,1083 29.147,1084 2.858,1085 17.771,1086 23.037,1087 13.391,1088 36.358,1089 17.374,1090 14267,1091 24302,1092 22.076,1093 38.983,1094 49.398,1095 51.187,1096 51.728,1097 49.166,1098 49.184,1099 63.473,1100 10.258,1101 138.155,1102 46.619,1103 5.591,1104 5.681,1105 6.631,1106 5.269,1107 5.219,1108 7.617,1109 4.174,1110 18.52,1111 5.142,1112 19.038,1113 1.453,1114 1.505,1115 1.521,1116 1.446,1117 1.447,1118 1.867,1119 0.302,1120 4.063,1121 1.371,1122 4.084,1123 4.12,1124 4.058,1125 3.984,1126 7.432,1127 3.996,1128 3.912,1129 3.933,1130 3.868,1131 3.814,1132 5.322,1133 3.824,1134 3.74,1135 3.78,1136 3.625,1137 3.576,1138 4.982,1139 3.574,1140 3.53,1141 3.586,1142 3.452,1143 3.338,1144 4.909,1145 3.359,1146 3.497,1147 3.562,1148 3.353,1149 3.288,1150 4.793,1151 3.29,1152 3.31,1153 3.362,1154 3.141,1155 3.079,1156 4.574,1157 3.085,1158 3.215,1159 3.287,1160 3.052,1161 2.979,1162 4.466,1163 2.974,1164 3.176,1165 3.268,1166 3.02,1167 2.948,1168 4.206,1169 2.955,1170 0.137,1171 0.108,1172 0.201,1173 0.123,1174 0.095,1175 4.657,1176 0.136,1177 3.681,1178 0.072,1179 6.838,1180 0.331,1181 4.194,1182 0.092,1183 3.219,1184 4.617,1185 2.443,1186 11.245,1187 3.142,1188 2.014,1189 1.988,1190 2.084,1191 2.137,1192 1.288,1193 2.119,1194 1.87,1195 1.85,1196 1.974,1197 1.995,1198 1.27,1199 1.987,1200 1.705,1201 1.657,1202 1.924,1203 1.895,1204 1.065,1205 1.905,1206 1.483,1207 1.422,1208 1.8,1209 1.736,1210 0.94,1211 1.755,1212 1.446,1213 1.387,1214 1.608,1215 1.667,1216 0.774,1217 1.658,1218 1.258,1219 1.203,1220 1.574,1221 1.541,1222 0.669,1223 1.548,1224 1.178,1225 1.1,1226 1.532,1227 1.467,1228 0.571,1229 1.491,1230 1.163,1231 1.082,1232 1.487,1233 1.413,1234 0.558,1235 1.434,1236 4.234,1238 5.533,1240 7.031,1242 8.633,1244 10.295,1246 5.4,1250 11.753,1252 3.37,1254 16.353,1262 37.288,1263 97.242,1264 226.517,1265 312.755,1266 329.51,1267 331.51,1268 331.51,1269 67.925,1270 7.66,1271 135.47,1272 135.47,1273 18,1274 12.573,1275 4.248,1276 3.392,1277 61.45,1278 150,1279 198,1280 0.192,1281 232.824,1282 403.08,1283 559.85,1284 23654,1286 23.087,1287 0.721,1288 0.584,1289 23.087,1290 18.681,1291 15.422,1292 0.454,1293 0.31,1294 10.362,1295 14.645,1296 10.049,1297 8.381,1298 15.422,1299 10.55,1300 13.463,1301 0.293,1302 0.159,1303 13.463,1304 7.335,1305 10.909,1306 0.185,1307 0.087,1308 10.909,1309 5.117,1310 9.263,1311 0.122,1312 0.046,1313 9.263,1314 3.494,1315 6.82,1316 0.073,1317 0.024,1318 6.82,1319 2.209,1320 0.309,1321 97.891,1322 0.213,1323 30.441,1324 0.506,1325 160,1326 520.502,1327 180.448,1328 490.194,1329 665.11,1330 460,1331 185,1332 484.88,1333 203.291,1334 486.532,1335 708.25,1336 456,1337 7.854}
{0 CHEMBL190026,1 1.706,2 9.217,3 3.023,4 9.137,5 98.464,6 10.802,7 0.68,8 3.775,9 3.9,10 3.663,11 3.383,12 4.967,13 3.333,14 4.248,15 4.417,16 4.118,17 3.784,18 5.411,19 3.698,20 4.396,21 4.545,22 4.329,23 3.987,24 5.506,25 3.86,26 4.553,27 4.742,28 4.189,29 4.013,30 5.68,31 3.833,32 4.624,33 4.879,34 4.221,35 3.895,36 5.621,37 3.732,38 4.433,39 4.674,40 4.284,41 3.857,42 5.403,43 3.628,44 4.323,45 4.562,46 3.964,47 3.74,48 5.306,49 3.474,50 4.102,51 4.328,52 4.072,53 3.388,54 5.199,55 3.251,56 0.054,57 0.611,58 3.272,59 3.249,60 10.677,61 3.767,62 0.241,63 0.938,64 11.481,65 6.269,66 24.407,67 7.134,68 0.13,69 1.119,70 16.52,71 7.877,72 14.47,73 8.075,74 0.218,75 1.265,76 42.421,77 11.244,78 31.626,79 11.203,80 0.351,81 1.24,82 26.488,83 9.404,84 44.699,85 10.32,86 0.184,87 1.05,88 29.215,89 9.505,90 27.574,91 10.151,92 0.203,93 0.918,94 64.899,95 11.953,96 26.064,97 10.431,98 0.18,99 0.753,100 18.762,101 5.246,102 23.744,103 5.729,104 27,105 36,106 0.303,107 0.683,108 0.828,109 0.868,110 0.868,111 0.868,112 3.189,113 0.968,114 -4.89,115 -4.8,116 -4.5,119 41,120 1,121 1,124 1,139 3,140 4,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 7,169 2,170 6,172 3,173 3,175 1,178 10,180 1,182 6,187 1,189 10,191 1,192 1,193 7,195 3,196 3,197 1,198 3,200 2,201 6,204 3,205 1,207 5,212 2,215 5,218 2,221 5,226 3,229 5,231 3,233 1,234 5,239 2,241 2,243 2,246 4,251 3,256 3,259 2,260 2,262 1,263 1,265 2,270 2,273 674,274 15.248,275 15.248,276 15.248,277 15.248,278 15.248,279 13.062,280 19.152,281 8.704,282 15.842,283 12.234,284 12.234,285 12.234,286 12.234,287 12.234,288 8.946,289 25.263,290 4.039,291 13.201,292 3.58,293 1.443,294 0.622,295 0.398,296 0.398,297 0.398,298 3.865,301 1,302 1,303 449,304 2.55,307 182.313,311 95.277,314 1.357,315 18.576,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48.9,327 212,328 4.657,329 3.357,330 6.837,331 4.192,332 3.219,333 4.617,334 0.86,335 11.244,336 3.139,337 4.256,338 3.162,339 6.125,340 3.821,341 2.884,342 3.903,343 0.68,344 8.994,345 2.68,346 3.884,347 2.738,348 5.752,349 3.458,350 2.506,351 3.395,353 7.703,354 2.376,355 3.521,356 2.627,357 5.192,358 3.105,359 2.202,360 2.863,362 6.364,363 1.978,364 3.451,365 2.217,366 5.094,367 2.957,368 2.035,369 2.835,371 5.888,372 1.853,373 3.364,374 2.056,375 5.006,376 2.887,377 1.968,378 2.68,380 5.781,381 1.781,382 2.849,383 1.825,384 4.329,385 2.416,386 1.48,387 1.981,389 3.938,390 1.294,391 2.689,392 1.475,393 4.098,394 2.248,395 1.293,396 1.759,398 3.364,399 1.207,400 1.801,401 1.16,402 3.191,403 1.433,404 0.597,405 0.684,407 1.185,408 0.405,409 1.664,410 0.696,411 2.86,412 1.349,413 0.42,414 0.508,415 0.85,416 0.39,417 1.239,418 0.43,419 2.823,420 0.842,421 -0.051,422 -0.063,423 -0.107,424 -0.021,425 1.176,426 0.112,427 2.719,428 0.79,429 -0.121,430 -0.147,431 -0.303,432 -0.105,433 0.935,434 -0.201,435 2.514,436 0.47,437 -0.418,438 -0.541,439 -1.083,440 -0.322,441 0.727,442 -0.317,443 2.205,444 0.311,445 -0.592,446 -0.714,448 -1.447,449 -0.485,450 0.479,451 -0.6,452 2,453 0.119,454 -0.82,455 -1.06,457 -2.181,458 -0.729,459 11.976,460 0.521,461 0.682,462 0.03,463 32.5,464 1.413,465 17.5,466 0.761,467 15,468 0.652,469 19.309,470 0.84,471 23.424,472 0.601,473 20.74,474 0.902,475 6.176,476 0.269,477 4.815,478 0.209,479 0.287,481 0.376,485 1.045,486 1.123,487 0.472,488 0.579,489 1.245,490 0.746,491 0.882,492 0.682,493 0.553,494 0.548,495 0.554,496 0.634,497 1.064,498 1.193,499 0.975,500 0.954,501 0.92,502 0.989,503 0.646,504 1.196,505 1.3,506 1.34,507 0.654,508 1.329,509 1.242,510 0.819,511 0.585,512 0.651,513 1.305,514 0.871,515 0.789,516 0.981,517 1.105,518 1.05,519 0.903,520 1.024,521 0.787,522 1.08,523 2.101,524 1.828,525 0.819,526 1.249,527 1.46,528 1.245,529 0.919,530 1.04,531 1.258,532 0.972,533 5.5,534 0.062,535 2.889,536 2.188,537 1.902,538 0.757,539 0.507,540 0.358,541 0.226,542 0.159,543 5153,544 16451,545 2.016,546 41,547 5,548 6,550 1,551 4,555 1.659,556 1.84,557 3.168,558 1.865,559 1,560 1,563 1,564 66.521,565 1.706,566 3.843,567 4.663,568 4.888,569 4.888,570 4.888,571 2.653,572 4.089,573 4.497,574 3.289,575 831.998,576 7.753,577 9210.21,579 1,581 1,582 206.131,583 1.538,584 4.428,585 0.22,586 0.008,587 0.08,588 0.056,589 0.056,590 0.027,591 0.02,592 0.016,593 0.012,594 0.012,595 0.508,596 0.17,597 1,598 0.872,599 106.242,600 -0.148,601 -0.017,602 -0.004,603 0.026,604 -0.28,605 0.051,606 0.169,607 0.342,608 0.033,609 0.156,610 0.269,611 0.238,612 -0.175,613 -0.122,614 -0.038,615 -0.019,616 -0.151,617 -0.087,618 0.136,619 -0.174,620 -0.121,621 -0.233,622 0.178,623 -0.345,624 -0.245,625 0.14,626 0.039,627 0.082,628 -0.259,629 0.053,630 -0.05,631 -0.032,632 0.017,633 0.035,634 -0.057,635 0.014,636 0.106,637 -0.138,638 -0.179,639 -0.19,640 0.06,641 -0.076,642 -0.188,643 -0.282,644 0.069,645 -0.063,646 -0.114,647 -0.017,648 1.531,649 2.003,650 0.696,651 16.926,652 1.005,653 1.126,654 3.661,655 13.405,656 0.736,657 3.258,658 3.611,659 3.892,660 4.159,661 4.394,662 4.443,663 4.466,664 4.575,665 4.682,666 4.663,667 5.378,668 0.674,669 421.27,670 3.258,671 4.812,672 5.673,673 6.567,674 7.445,675 8.342,676 9.226,677 10.124,678 11.011,679 11.911,680 12.8,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 1,717 1,718 39,719 17,720 1,721 25,723 41,724 16,725 13,726 3,727 3,729 3,730 4,734 1,739 1,741 13,742 3,754 1,757 16,758 6,759 4,760 7,761 1,762 1,764 5,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 2,809 1,810 23,811 2,816 1,818 1,828 1,829 2.6,834 1,836 12.5,837 7.66,838 5.056,839 2.068,840 3.431,841 1.487,842 1.017,843 4.544,844 10.471,845 3.541,846 4.234,847 4.868,848 5.491,849 6.086,850 6.38,851 6.717,852 7.142,853 7.579,854 7.759,855 1,856 39,857 8.419,859 3.497,860 7.723,861 15.984,863 12.794,865 2.223,866 51.12,870 141.253,871 141.476,872 116.151,874 11,876 56.782,877 84.694,878 152.253,879 116.151,880 19.708,881 2.535,882 94.223,883 62.128,884 40.795,885 4.227,886 186.264,888 141.253,889 200.845,890 11,892 56.782,893 142.969,894 11,897 22.306,898 126.467,899 50.357,900 56.782,901 141.253,902 127.151,903 84.694,904 56.782,906 141.253,907 27.51,908 113.966,910 127.151,911 141.253,912 127.151,913 84.694,914 56.782,915 0.591,916 0.355,917 0.191,918 0.105,919 18,920 9,921 0.073,922 3,923 1,924 1.125,925 3.388,926 186.983,927 0.125,928 16,929 104.042,933 16.204,934 6.45,935 3.185,936 1.284,937 127.151,938 7.843,939 12.57,943 5.766,945 65.794,946 409.88,947 33.5,956 39.207,957 43.913,958 0.323,959 0.727,960 0.882,961 0.925,962 0.925,963 0.925,964 4.781,965 1.293,966 5.687,967 3.938,968 4.29,969 4.92,970 1.225,971 6.529,972 4.156,973 6.034,974 0.597,975 7.273,976 3.364,977 4.007,978 4.913,980 7.486,981 3.795,982 7.373,983 0.42,984 8.955,985 1.185,986 5.922,987 7.244,988 0.925,989 10.594,990 5.706,991 8.748,992 -0.051,993 10.691,994 0.85,995 6.399,996 8.008,998 12.352,999 6.125,1000 10.15,1001 -0.121,1002 12.462,1003 -0.107,1004 7.83,1005 9.858,1006 0.697,1007 15.008,1008 7.551,1009 11.573,1010 -0.418,1011 14.258,1012 -0.303,1013 8.663,1014 11,1016 17.128,1017 8.344,1018 13.013,1019 -0.592,1020 16.073,1021 -1.083,1022 9.91,1023 12.654,1024 0.525,1025 19.624,1026 9.58,1027 3.219,1028 -0.82,1029 17.904,1030 -1.447,1031 10.912,1032 13.988,1034 21.908,1035 10.554,1036 2.884,1037 11.244,1038 19.748,1039 -2.181,1040 12.09,1041 15.559,1042 0.395,1043 24.348,1044 11.716,1045 2.506,1046 8.994,1047 21.603,1048 4.617,1049 13.171,1050 16.989,1052 26.704,1053 12.774,1054 2.202,1055 7.703,1056 23.467,1057 3.903,1058 14.327,1059 18.526,1060 0.298,1061 29.125,1062 13.912,1063 2.035,1064 6.364,1065 25.339,1066 3.395,1067 15.445,1068 20.004,1070 31.514,1071 15.01,1072 1.968,1073 5.888,1074 27.218,1075 2.863,1076 16.595,1077 21.529,1078 0.224,1079 33.929,1080 16.141,1081 1.48,1082 5.781,1083 29.103,1084 2.835,1085 17.732,1086 23.03,1088 36.334,1089 17.258,1090 5104,1091 9223,1092 16.126,1093 28.711,1094 37.473,1095 38.337,1096 39.408,1097 37.411,1098 37.207,1099 50.448,1100 3.08,1101 110.621,1102 34.205,1103 5.431,1104 5.357,1105 6.387,1106 5.267,1107 5.219,1108 7.617,1109 1.72,1110 18.517,1111 5.139,1112 13.196,1113 1.499,1114 1.533,1115 1.576,1116 1.496,1117 1.488,1118 2.018,1119 0.123,1120 4.425,1121 1.368,1122 4.081,1123 4.117,1124 10.695,1125 4.065,1126 5.321,1127 3.999,1128 3.895,1129 3.916,1130 4.05,1131 3.915,1132 4.982,1133 3.838,1134 3.516,1135 3.579,1136 3.79,1137 3.385,1138 4.862,1139 3.36,1140 3.261,1141 3.323,1142 3.448,1143 3.329,1144 4.79,1145 3.044,1146 3.171,1147 3.266,1148 3.062,1149 2.988,1150 4.361,1151 2.96,1152 3.043,1153 3.153,1154 3.041,1155 2.879,1156 4.17,1157 2.857,1158 3.023,1159 3.125,1160 2.891,1161 2.84,1162 4.02,1163 2.721,1164 2.769,1165 2.832,1166 2.801,1167 2.704,1168 3.736,1169 2.677,1170 0.186,1171 0.134,1172 0.273,1173 0.168,1174 0.129,1175 4.657,1176 0.185,1177 3.357,1178 0.034,1179 6.837,1180 0.45,1181 4.192,1182 0.126,1183 3.219,1184 4.617,1185 0.86,1186 11.244,1187 3.139,1188 2.015,1189 1.989,1190 2.077,1191 2.134,1192 1.283,1193 2.117,1194 1.87,1195 1.85,1196 1.927,1197 1.953,1198 1.077,1199 1.959,1200 1.451,1201 1.395,1202 1.614,1203 1.673,1204 0.683,1205 1.663,1206 1.211,1207 1.143,1208 1.564,1209 1.501,1210 0.566,1211 1.527,1212 1.151,1213 1.066,1214 1.487,1215 1.411,1216 0.557,1217 1.432,1218 1.005,1219 0.928,1220 1.267,1221 1.34,1222 0.206,1223 1.341,1224 0.946,1225 0.826,1226 1.245,1227 1.255,1228 0.121,1229 1.266,1230 0.788,1231 0.737,1232 1.03,1233 0.955,1235 0.99,1236 3.932,1238 5.273,1240 6.819,1242 8.464,1244 10.159,1246 3.666,1249 2.319,1250 11.634,1252 0.73,1254 5.307,1262 26.299,1263 66.521,1264 149.866,1265 181.866,1266 190.621,1267 190.621,1268 190.621,1269 31.723,1270 7.04,1271 99.94,1272 99.94,1273 18,1274 12.436,1275 4.17,1276 3.248,1277 36.771,1278 74,1279 74,1280 0.249,1281 174.201,1282 283.53,1283 416.811,1284 9755,1285 2.6,1286 16.56,1287 0.72,1288 0.65,1289 18.06,1290 14.957,1291 10.99,1292 0.44,1293 0.323,1294 6.948,1295 9.893,1296 6.635,1297 5.534,1298 11.856,1299 8.068,1300 10.148,1301 0.282,1302 0.177,1303 11.261,1304 6.37,1305 8.594,1306 0.179,1307 0.1,1308 9.734,1309 4.821,1310 7.223,1311 0.115,1312 0.049,1313 7.881,1314 3.056,1315 5.697,1316 0.071,1317 0.027,1318 6.602,1319 2.195,1320 0.382,1321 82.473,1322 0.249,1323 22.207,1324 0.711,1325 122,1326 354.944,1327 281.947,1328 390.75,1329 528.85,1330 364,1331 145,1332 367.644,1333 212.715,1334 392.178,1335 571.6,1336 366,1337 8.398}
{0 CHEMBL190199,1 1.637,2 12.9,3 2.91,4 8.467,5 112.658,6 7.482,7 0.531,8 4.106,9 4.226,10 3.651,11 3.569,12 5.299,13 3.573,14 4.61,15 4.782,16 3.994,17 3.932,18 5.826,19 3.91,20 4.812,21 4.993,22 4.066,23 4.085,24 5.899,25 4.05,26 4.922,27 5.121,28 4.048,29 4.133,30 6.024,31 4.064,32 5,33 5.239,34 3.929,35 4.121,36 6.016,37 4.024,38 4.918,39 5.16,40 3.897,41 4.041,42 5.954,43 3.943,44 4.818,45 5.039,46 3.85,47 3.973,48 5.806,49 3.894,50 4.803,51 5.032,52 3.828,53 3.925,54 5.87,55 3.843,56 0.119,57 0.805,58 11.419,59 4.681,60 18.68,61 6.124,62 0.46,63 1.206,64 21.256,65 8.086,66 59.613,67 10.671,68 0.44,69 1.431,70 26.449,71 9.174,72 53.903,73 12.552,74 0.553,75 1.556,76 30.091,77 10.683,78 66.467,79 14.653,80 0.712,81 1.582,82 34.404,83 10.419,84 80.148,85 15.422,86 0.702,87 1.411,88 31.996,89 10.475,90 79.015,91 15.275,92 0.511,93 1.299,94 28.314,95 9.543,96 49.112,97 13.417,98 0.54,99 1.279,100 27.92,101 8.964,102 54.753,103 13.048,104 46,105 44,106 0.27,107 0.648,108 0.84,109 0.878,110 0.884,111 0.884,112 3.44,113 0.898,114 -4.06,115 -4.01,116 -3.8,119 38.2,120 1,121 4,124 1,125 1,139 3,140 4,141 2,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 9,167 1,169 2,170 10,172 3,173 4,175 2,178 9,179 1,180 1,182 11,187 2,189 7,190 1,191 1,192 1,193 10,195 3,196 3,197 1,198 4,200 2,201 7,204 3,205 1,206 1,207 5,208 1,212 2,215 8,218 2,220 2,221 6,224 1,226 3,229 8,231 3,233 1,234 6,239 2,241 6,242 2,243 2,245 2,246 5,248 1,249 1,251 4,254 3,255 2,256 2,259 2,260 6,262 1,263 1,265 4,268 4,269 1,270 2,273 1672,274 19.938,275 19.938,276 19.938,277 19.938,278 19.938,279 17.598,280 25.82,281 11.819,282 20.487,283 15.727,284 15.727,285 15.727,286 15.727,287 15.727,288 12.131,289 31.981,290 5.556,291 16.519,292 4.144,293 1.859,294 0.696,295 0.464,296 0.427,297 0.427,298 4.12,301 1,302 1,303 808,304 3.808,307 267.798,311 139.528,314 2.04,315 35.716,318 1,319 0.83,320 0.83,321 1,322 0.5,323 0.83,324 0.5,325 0.79,326 66.5,327 387,328 4.657,329 3.596,330 6.838,331 4.194,332 3.219,333 4.617,334 2.341,335 11.245,336 3.142,337 4.278,338 3.356,339 6.206,340 3.882,341 2.915,342 3.922,343 0.86,344 9.303,345 2.818,346 3.886,347 3.167,348 5.769,349 3.467,350 2.512,351 3.395,352 0.86,353 7.764,354 2.397,355 3.565,356 2.776,357 5.252,358 3.246,359 2.28,360 2.873,361 0.68,362 6.639,363 2.221,364 3.544,365 2.666,366 5.097,367 3.177,368 2.219,369 2.858,371 5.914,372 2.072,373 3.452,374 2.233,375 5.01,376 2.977,377 2.043,378 2.71,380 5.795,381 1.901,382 3.374,383 2.062,384 4.659,385 2.899,386 1.976,387 2.691,389 5.182,390 1.819,391 2.877,392 1.907,393 4.43,394 2.534,395 1.563,396 2.01,398 4.186,399 1.511,400 2.69,401 1.775,402 4.15,403 2.499,404 1.526,405 1.76,407 3.394,408 1.477,409 2.641,410 1.498,411 3.646,412 2.255,413 1.3,414 1.636,415 3.197,416 1.238,417 1.998,418 1.296,419 3.208,420 1.772,421 0.85,422 0.936,423 1.749,424 0.771,425 1.793,426 1.05,427 3.067,428 1.531,429 0.606,430 0.689,431 1.251,432 0.553,433 1.61,434 0.65,435 2.835,436 1.29,437 0.357,438 0.431,439 0.758,440 0.332,441 1.202,442 0.619,443 2.813,444 0.866,445 -0.069,446 -0.075,448 -0.136,449 -0.064,450 1.096,451 0.242,452 2.65,453 0.839,454 -0.107,455 -0.133,457 -0.28,458 -0.101,459 13.833,460 0.461,461 0.788,462 0.026,463 39,464 1.3,465 19.5,466 0.65,467 19.5,468 0.65,469 25.645,470 0.855,471 33.567,472 0.61,473 30.83,474 1.028,475 7.746,476 0.258,477 6.639,478 0.221,479 0.178,481 0.361,485 0.938,486 1.317,487 0.825,488 1.129,489 0.904,490 0.97,491 0.791,492 0.923,493 0.769,494 0.962,495 0.455,496 0.888,497 1.13,498 1.178,499 0.985,500 1.052,501 0.975,502 1.002,503 0.949,504 1.134,505 1.064,506 1.189,507 0.772,508 1.172,509 0.966,510 0.967,511 1.122,512 0.999,513 0.908,514 1.064,515 0.707,516 0.938,517 0.908,518 0.996,519 0.68,520 0.993,521 1.002,522 1.061,523 0.987,524 1.066,525 0.581,526 1.042,527 0.85,528 1.081,529 0.986,530 1.113,531 0.639,532 1.084,533 6.5,534 0.202,535 3.111,536 2.313,537 2.022,538 0.903,539 0.649,540 0.51,541 0.378,542 0.275,543 11612,544 36619,545 1.993,546 45.5,547 7,548 8,550 1,551 5,552 2,553 2,555 1.728,556 1.837,557 3.602,558 2.452,559 1,560 1,564 90.03,565 1.637,566 3.922,567 5.086,568 5.318,569 5.354,570 5.354,571 3.123,572 4.482,573 4.87,574 3.808,575 1656.61,576 8.499,577 23551.6,579 1,581 1,582 317.975,583 1.506,584 4.82,585 0.203,586 0.009,587 0.071,588 0.049,589 0.046,590 0.024,591 0.018,592 0.014,593 0.011,594 0.009,595 0.454,596 0.17,597 1,598 1.706,599 155.818,600 -0.123,601 -0.059,602 0.013,603 0.001,604 -0.143,605 0.037,606 0.134,607 0.186,608 0.143,609 0.111,610 0.243,611 0.117,612 -0.173,613 -0.096,614 -0.06,615 0.002,616 -0.142,617 -0.006,618 -0.052,619 -0.082,620 -0.134,621 -0.15,622 -0.026,623 -0.172,624 -0.105,625 0.041,626 -0.158,627 -0.023,628 -0.147,629 -0.081,630 0.131,631 0.014,632 0.059,633 0.017,634 0.058,635 0.027,636 -0.07,637 -0.093,638 -0.026,639 -0.035,640 -0.021,641 -0.027,642 0.037,643 -0.093,644 -0.023,645 -0.112,646 0.049,647 -0.086,648 2.463,649 3.586,650 0.533,651 34.88,652 1.012,653 1.136,654 2.834,655 8.032,656 0.645,657 3.497,658 3.807,659 4.043,660 4.304,661 4.522,662 4.615,663 4.682,664 4.804,665 4.927,666 4.949,667 7.427,668 0.622,669 411.51,670 3.497,671 5.03,672 5.866,673 6.742,674 7.6,675 8.485,676 9.355,677 10.246,678 11.124,679 12.018,680 9.1,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 2,718 55,719 18,720 1,721 32,723 57,724 21,725 13,726 3,727 3,729 3,730 4,734 1,739 4,741 14,742 7,744 1,748 1,751 1,754 1,757 25,758 9,759 5,760 9,764 5,769 0.667,770 4,775 1,776 1,781 3,785 1,792 1,800 1,802 2,806 2,810 30,811 2,815 1,816 5,818 2,829 7.3,831 1,832 1,834 2,836 16.333,837 10.3,838 6.722,839 3.124,840 3.539,841 1.469,842 0.945,843 7.161,844 11.087,845 3.75,846 4.369,847 4.942,848 5.551,849 6.132,850 6.449,851 6.798,852 7.217,853 7.65,854 7.852,855 0.889,856 47,857 11.03,859 4.581,860 7.939,861 20.658,863 16.354,865 2.439,866 73.167,869 1,870 235.422,871 101.384,872 116.151,874 89.828,877 101.384,878 325.25,879 116.151,880 19.708,881 14.731,882 94.223,883 130.866,884 55.379,885 4.227,886 223.651,888 235.422,889 217.535,890 89.828,893 213.595,894 113.37,897 34.502,898 130.961,899 50.357,901 235.422,902 205.979,903 101.384,906 235.422,907 44.199,908 57.184,910 205.979,911 235.422,912 205.979,913 101.384,915 0.576,916 0.327,917 0.177,918 0.094,919 19,920 10,921 0.158,922 9,923 1,924 1.125,925 4.087,926 255.911,927 0.125,928 16,929 145.207,933 21.906,934 9.807,935 5.433,936 1.151,937 205.979,938 7.356,939 12.579,943 4.639,945 108.478,946 542.785,947 41.5,951 10.586,954 -0.796,956 55.654,957 62.481,958 0.283,959 0.678,960 0.88,961 0.92,962 0.926,963 0.926,964 4.978,965 1.563,966 5.855,967 5.182,968 4.489,969 5.056,970 2.599,971 6.658,972 4.4,973 6.197,974 1.526,975 7.412,976 4.186,977 4.111,978 4.997,979 2.243,980 7.564,981 3.997,982 7.515,983 1.3,984 9.068,985 3.394,986 6.071,987 7.313,988 3.696,989 10.669,990 5.915,991 8.869,992 0.85,993 10.785,994 3.197,995 6.479,996 8.054,997 4.112,998 12.415,999 6.306,1000 10.254,1001 0.606,1002 12.541,1003 1.749,1004 7.936,1005 9.893,1006 5.211,1007 15.065,1008 7.73,1009 11.662,1010 0.357,1011 14.326,1012 1.251,1013 8.726,1014 11.026,1015 5.889,1016 17.182,1017 8.505,1018 13.09,1019 -0.069,1020 16.134,1021 0.758,1022 9.984,1023 12.673,1024 6.85,1025 19.673,1026 9.737,1027 3.219,1028 -0.107,1029 17.959,1030 -0.136,1031 10.964,1032 14.004,1033 7.625,1034 21.954,1035 10.699,1036 2.915,1037 11.245,1038 19.798,1039 -0.28,1040 12.145,1041 15.571,1042 8.526,1043 24.389,1044 11.857,1045 2.512,1046 9.303,1047 21.65,1048 4.617,1049 13.215,1050 16.999,1051 9.342,1052 26.742,1053 12.908,1054 2.28,1055 7.764,1056 23.512,1057 3.922,1058 14.37,1059 18.535,1060 10.216,1061 29.159,1062 14.04,1063 2.219,1064 6.639,1065 25.382,1066 3.395,1067 15.483,1068 20.012,1069 11.051,1070 31.544,1071 15.132,1072 2.043,1073 5.914,1074 27.259,1075 2.873,1076 16.632,1077 21.536,1078 11.912,1079 33.956,1080 16.259,1081 1.976,1082 5.795,1083 29.142,1084 2.858,1085 17.766,1086 23.036,1087 12.755,1088 36.357,1089 17.371,1090 11548,1091 20612,1092 20.69,1093 35.461,1094 47.012,1095 48.359,1096 48.956,1097 46.746,1098 46.734,1099 61.057,1100 9.482,1101 132.752,1102 44.506,1103 5.566,1104 5.596,1105 6.61,1106 5.269,1107 5.219,1108 7.617,1109 3.925,1110 18.52,1111 5.142,1112 18.157,1113 1.469,1114 1.511,1115 1.53,1116 1.461,1117 1.46,1118 1.908,1119 0.296,1120 4.149,1121 1.391,1122 4.084,1123 4.12,1124 4.058,1125 3.984,1126 7.474,1127 3.996,1128 3.912,1129 3.933,1130 3.867,1131 3.814,1132 6.351,1133 3.824,1134 3.719,1135 3.765,1136 3.594,1137 3.565,1138 5.321,1139 3.56,1140 3.515,1141 3.577,1142 3.448,1143 3.337,1144 4.982,1145 3.357,1146 3.391,1147 3.416,1148 3.281,1149 3.131,1150 4.909,1151 3.158,1152 3.233,1153 3.297,1154 3.06,1155 2.982,1156 4.793,1157 2.979,1158 3.178,1159 3.272,1160 3.052,1161 2.952,1162 4.574,1163 2.962,1164 3.062,1165 3.154,1166 2.938,1167 2.852,1168 4.206,1169 2.868,1170 0.146,1171 0.112,1172 0.214,1173 0.131,1174 0.101,1175 4.657,1176 0.144,1177 3.596,1178 0.073,1179 6.838,1180 0.351,1181 4.194,1182 0.098,1183 3.219,1184 4.617,1185 2.341,1186 11.245,1187 3.142,1188 2.014,1189 1.988,1190 2.084,1191 2.137,1192 1.287,1193 2.119,1194 1.87,1195 1.85,1196 1.973,1197 1.994,1198 1.268,1199 1.986,1200 1.698,1201 1.647,1202 1.922,1203 1.881,1204 1.065,1205 1.896,1206 1.449,1207 1.393,1208 1.608,1209 1.671,1210 0.774,1211 1.66,1212 1.292,1213 1.254,1214 1.576,1215 1.586,1216 0.669,1217 1.571,1218 1.181,1219 1.108,1220 1.541,1221 1.49,1222 0.571,1223 1.508,1224 1.166,1225 1.083,1226 1.489,1227 1.416,1228 0.558,1229 1.437,1230 1.009,1231 0.933,1232 1.267,1233 1.34,1234 0.219,1235 1.341,1236 4.174,1238 5.485,1240 6.989,1242 8.597,1244 10.265,1246 3.565,1250 11.709,1251 8.701,1252 2.394,1254 11.282,1262 34.234,1263 90.03,1264 215.71,1265 279.71,1266 292.465,1267 294.465,1268 294.465,1269 63.423,1270 7.548,1271 146.47,1272 146.47,1273 18,1274 12.547,1275 4.248,1276 3.392,1277 55.422,1278 129,1279 158,1280 0.204,1281 213.639,1282 368.48,1283 513.04,1284 19944,1286 21.673,1287 0.722,1288 0.567,1289 21.673,1290 17.013,1291 14.384,1292 0.45,1293 0.299,1294 9.404,1295 13.68,1296 9.144,1297 7.612,1298 14.384,1299 9.574,1300 12.963,1301 0.295,1302 0.157,1303 12.963,1304 6.924,1305 10.212,1306 0.182,1307 0.086,1308 10.212,1309 4.821,1310 8.686,1311 0.119,1312 0.045,1313 8.686,1314 3.268,1315 6.616,1316 0.073,1317 0.023,1318 6.616,1319 2.091,1320 0.325,1321 91.332,1322 0.22,1323 28.635,1324 0.549,1325 152,1326 500.916,1327 171.009,1328 476.606,1329 640.91,1330 444,1331 176,1332 464.455,1333 192.63,1334 468.6,1335 679.27,1336 438,1337 8.658}
{0 CHEMBL190340,1 1.545,2 11.467,3 4.012,4 16.093,5 117.131,6 7.576,7 0.697,8 4.075,9 4.195,10 3.655,11 3.611,12 5.243,13 3.603,14 4.56,15 4.723,16 3.999,17 3.976,18 5.692,19 3.951,20 4.732,21 4.893,22 4.087,23 4.119,24 5.806,25 4.079,26 4.883,27 5.081,28 4.037,29 4.139,30 5.955,31 4.063,32 4.941,33 5.185,34 3.937,35 4.125,36 5.916,37 4.03,38 4.847,39 5.077,40 3.935,41 4.097,42 5.809,43 4.007,44 4.837,45 5.044,46 3.941,47 4.088,48 5.829,49 4.007,50 4.838,51 5.064,52 3.898,53 4.051,54 5.849,55 3.955,56 0.046,57 0.788,58 10.488,59 4.508,60 12.027,61 5.775,62 0.278,63 1.205,64 19.199,65 7.799,66 29.291,67 9.952,68 0.15,69 1.425,70 22.288,71 8.896,72 20.896,73 11.646,74 0.354,75 1.58,76 28.003,77 10.679,78 44.86,79 14.172,80 0.501,81 1.621,82 31.885,83 10.466,84 53.941,85 14.792,86 0.294,87 1.467,88 28.149,89 10.528,90 36.925,91 14.596,92 0.352,93 1.429,94 27.687,95 10.421,96 38.665,97 13.841,98 0.382,99 1.451,100 27.91,101 10.175,102 43.263,103 14.183,104 18,105 46,106 0.254,107 0.593,108 0.774,109 0.849,110 0.863,111 0.863,112 3.441,113 0.869,114 -5.03,115 -4.93,116 -4.62,119 43.4,120 1,121 1,124 1,125 1,139 8,140 5,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 13,169 2,170 9,172 3,173 3,175 1,178 14,180 1,182 11,187 1,189 10,191 1,192 1,193 10,195 3,196 3,197 1,198 3,200 2,201 7,204 3,205 1,206 1,207 6,212 2,215 11,218 2,220 1,221 6,226 3,229 14,231 3,233 1,234 6,239 2,241 13,243 2,245 2,246 5,248 1,249 1,251 2,254 9,256 2,259 2,260 6,262 1,263 1,265 2,268 7,270 2,273 1584,274 20.386,275 20.386,276 20.386,277 20.386,278 20.386,279 17.502,280 24.831,281 11.99,282 20.911,283 16.227,284 16.227,285 16.227,286 16.227,287 16.227,288 11.908,289 33.586,290 5.641,291 16.992,292 4.183,293 2.123,294 1.024,295 0.571,296 0.481,297 0.481,298 4.137,301 1,302 1,303 744,304 3,307 348.126,311 129.938,314 1.631,315 24.211,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 64.5,327 344,328 4.657,329 3.36,330 6.838,331 4.194,332 3.219,333 4.617,334 1.151,335 11.245,336 3.142,337 4.282,338 3.188,339 6.213,340 3.888,341 2.922,342 3.924,343 0.86,344 9.34,345 2.822,346 3.9,347 2.826,348 5.77,349 3.509,350 2.53,351 3.443,352 0.68,353 7.772,354 2.488,355 3.879,356 2.737,357 5.345,358 3.459,359 2.494,360 3.395,362 6.978,363 2.394,364 3.542,365 2.572,366 5.216,367 3.152,368 2.225,369 2.867,371 6.488,372 2.051,373 3.452,374 2.224,375 5.097,376 2.976,377 2.042,378 2.854,380 5.916,381 1.9,382 3.373,383 2.06,384 5.01,385 2.899,386 1.976,387 2.691,389 5.796,390 1.819,391 2.946,392 1.898,393 4.445,394 2.554,395 1.586,396 2.112,398 4.276,399 1.53,400 2.853,401 1.617,402 4.156,403 2.437,404 1.449,405 1.989,407 3.402,408 1.429,409 2.69,410 1.467,411 3.636,412 2.254,413 1.297,414 1.76,415 3.126,416 1.238,417 2.5,418 1.208,419 3.247,420 2,421 1,422 1.5,423 2.136,424 1,425 2.033,426 1,427 3.24,428 1.714,429 0.815,430 0.96,431 1.792,432 0.724,433 1.688,434 0.933,435 3.133,436 1.357,437 0.439,438 0.508,439 1.006,440 0.391,441 1.583,442 0.659,443 2.824,444 1.298,445 0.392,446 0.47,448 0.697,449 0.36,450 1.215,451 0.233,452 2.798,453 0.842,454 -0.097,455 -0.122,457 -0.248,458 -0.091,459 14.167,460 0.472,461 0.712,462 0.024,463 43.5,464 1.45,465 24,466 0.8,467 19.5,468 0.65,469 22.847,470 0.762,471 31.433,472 0.593,473 33.29,474 1.11,475 8.805,476 0.294,477 5.741,478 0.191,479 0.127,481 0.353,485 0.982,486 1.18,487 0.795,488 1.008,489 1.169,490 0.887,491 1.047,492 0.822,493 0.792,494 0.86,495 0.701,496 0.815,497 1.125,498 1.259,499 0.994,500 1.171,501 0.937,502 1.083,503 1.088,504 1.122,505 1.092,506 1.203,507 0.845,508 1.174,509 1.102,510 0.866,511 1.081,512 0.891,513 1.186,514 0.954,515 0.871,516 0.919,517 0.922,518 0.986,519 0.847,520 0.965,521 1.244,522 0.995,523 1.037,524 1.029,525 1.01,526 1.024,527 0.868,528 1.04,529 1.006,530 1.09,531 0.847,532 1.077,533 6,534 0.219,535 3.111,536 2.125,537 2.013,538 0.993,539 0.589,540 0.507,541 0.423,542 0.259,543 11703,544 31128,545 2.087,546 43.4,547 5,548 13,550 1,551 4,555 1.732,556 1.957,557 3.464,558 1.598,560 1,564 81.886,565 1.545,566 3.605,567 4.704,568 5.157,569 5.247,570 5.247,571 2.899,572 4.64,573 4.877,574 3.622,575 1575.72,576 8.53,577 21853.3,579 1,581 1,582 303.58,583 1.4,584 4.839,585 0.182,586 0.008,587 0.068,588 0.043,589 0.046,590 0.025,591 0.014,592 0.012,593 0.011,594 0.008,595 0.417,597 1,598 0.715,599 153.596,600 -0.093,601 -0.027,602 0.036,603 0.008,604 -0.219,605 0.043,606 0.072,607 0.237,608 0.124,609 0.15,610 0.17,611 0.135,612 -0.116,613 -0.196,614 -0.097,615 -0.165,616 -0.099,617 -0.134,618 0.007,619 -0.122,620 -0.137,621 -0.212,622 0.103,623 -0.211,624 -0.08,625 0.124,626 -0.082,627 0.068,628 -0.152,629 0.015,630 0.011,631 0.038,632 0.046,633 0.024,634 0.007,635 0.042,636 -0.092,637 -0.051,638 -0.06,639 -0.015,640 -0.099,641 -0.035,642 0.101,643 -0.076,644 -0.03,645 -0.096,646 0.061,647 -0.086,648 1.552,649 2.62,650 0.733,651 29.573,652 1.002,653 1.125,654 3.797,655 14.414,656 0.675,657 3.526,658 3.85,659 4.127,660 4.394,661 4.635,662 4.7,663 4.787,664 4.927,665 5.081,666 5.118,667 6.739,668 0.647,669 401.51,670 3.526,671 5.069,672 5.922,673 6.801,674 7.67,675 8.556,676 9.432,677 10.322,678 11.203,679 12.096,680 9.4,684 2,690 3,694 2,695 9,696 3,700 8,702 23,711 2,716 2,718 53,719 23,720 2,721 33,723 56,724 23,725 19,726 4,727 8,729 4,730 5,734 1,739 1,741 19,742 4,754 1,757 23,758 7,759 4,760 7,764 5,769 0.75,770 2,775 1,776 1,781 4,785 1,802 3,806 2,810 30,811 2,816 2,818 2,829 3.8,834 2,836 15.333,837 10.1,838 6.639,839 2.893,840 4.517,841 1.579,842 1.006,843 5.795,844 12.316,845 3.818,846 4.472,847 5.086,848 5.691,849 6.273,850 6.527,851 6.883,852 7.317,853 7.775,854 8.01,855 0.875,856 49,857 11.01,859 4.601,860 7.689,861 20.958,863 16.841,865 2.189,866 65.667,868 1,869 1,870 223.651,871 143.437,872 116.151,874 22,877 143.437,878 245.651,879 116.151,880 19.708,881 7.127,882 141.604,883 62.128,884 58.565,885 4.227,886 211.88,888 223.651,889 259.588,890 22,893 225.366,894 22,897 26.899,898 180.617,899 50.357,901 223.651,902 138.151,903 143.437,906 223.651,907 38.871,908 104.566,910 138.151,911 223.651,912 138.151,913 143.437,915 0.58,916 0.343,917 0.188,918 0.103,919 22,920 10,921 0.107,922 6,923 1,924 1.091,925 4.107,926 269.884,927 0.091,928 22,929 143.207,933 20.081,934 8.657,935 4.379,936 1.212,937 138.151,938 17.652,939 12.705,943 6.059,945 65.794,946 505.239,947 44.5,956 53.116,957 59.647,958 0.27,959 0.629,960 0.821,961 0.9,962 0.916,963 0.916,964 5.042,965 1.586,966 5.905,967 5.796,968 4.533,969 5.159,970 1.801,971 6.715,972 4.449,973 6.266,974 1.449,975 7.463,976 4.276,977 4.111,978 5.007,980 7.609,981 4.002,982 7.583,983 1.297,984 9.12,985 3.402,986 6.125,987 7.43,988 1.797,989 10.721,990 5.977,991 8.937,992 1,993 10.836,994 3.126,995 6.509,996 8.092,998 12.454,999 6.342,1000 10.321,1001 0.815,1002 12.591,1003 2.136,1004 7.993,1005 9.994,1006 1.895,1007 15.099,1008 7.797,1009 11.728,1010 0.439,1011 14.373,1012 1.792,1013 8.766,1014 11.067,1016 17.207,1017 8.552,1018 13.153,1019 0.392,1020 16.177,1021 1.006,1022 10.037,1023 12.745,1024 2.06,1025 19.693,1026 9.798,1027 3.219,1028 -0.097,1029 17.999,1030 0.697,1031 11.003,1032 14.037,1034 21.968,1035 10.744,1036 2.922,1037 11.245,1038 19.834,1039 -0.248,1040 12.188,1041 15.618,1042 2.265,1043 24.4,1044 11.906,1045 2.53,1046 9.34,1047 21.682,1048 4.617,1049 13.249,1050 17.023,1052 26.751,1053 12.945,1054 2.494,1055 7.772,1056 23.539,1057 3.924,1058 14.404,1059 18.563,1060 2.497,1061 29.166,1062 14.078,1063 2.225,1064 6.978,1065 25.406,1066 3.443,1067 15.51,1068 20.027,1070 31.55,1071 15.162,1072 2.042,1073 6.488,1074 27.28,1075 3.395,1076 16.658,1077 21.553,1078 2.744,1079 33.961,1080 16.286,1081 1.976,1082 5.916,1083 29.16,1084 2.867,1085 17.787,1086 23.046,1088 36.362,1089 17.393,1090 11148,1091 18334,1092 22.076,1093 35.79,1094 49.002,1095 49.639,1096 50.296,1097 48.737,1098 48.773,1099 66.178,1100 5.382,1101 139.939,1102 46.578,1103 5.507,1104 5.36,1105 6.639,1106 5.269,1107 5.219,1108 7.617,1109 2.302,1110 18.521,1111 5.142,1112 14.344,1113 1.485,1114 1.504,1115 1.524,1116 1.477,1117 1.478,1118 2.005,1119 0.163,1120 4.241,1121 1.411,1122 4.086,1123 4.121,1124 4.059,1125 3.987,1126 5.322,1127 3.999,1128 3.937,1129 3.961,1130 3.886,1131 3.853,1132 4.982,1133 3.854,1134 3.864,1135 3.89,1136 3.799,1137 3.795,1138 4.922,1139 3.796,1140 3.516,1141 3.58,1142 3.449,1143 3.339,1144 4.796,1145 3.359,1146 3.305,1147 3.35,1148 3.181,1149 3.064,1150 4.753,1151 3.08,1152 3.184,1153 3.273,1154 3.052,1155 2.991,1156 4.528,1157 2.986,1158 3.15,1159 3.224,1160 2.994,1161 2.921,1162 4.194,1163 2.925,1164 3.042,1165 3.153,1166 2.891,1167 2.844,1168 4.083,1169 2.852,1170 0.141,1171 0.102,1172 0.207,1173 0.127,1174 0.098,1175 4.657,1176 0.14,1177 3.36,1178 0.035,1179 6.838,1180 0.341,1181 4.194,1182 0.095,1183 3.219,1184 4.617,1185 1.151,1186 11.245,1187 3.142,1188 2.015,1189 1.989,1190 2.085,1191 2.137,1192 1.279,1193 2.119,1194 1.912,1195 1.887,1196 2.033,1197 2.015,1198 1.136,1199 2.018,1200 1.854,1201 1.832,1202 1.943,1203 1.951,1204 1.06,1205 1.955,1206 1.451,1207 1.395,1208 1.614,1209 1.674,1210 0.683,1211 1.663,1212 1.231,1213 1.181,1214 1.569,1215 1.531,1216 0.61,1217 1.54,1218 1.172,1219 1.097,1220 1.492,1221 1.419,1222 0.562,1223 1.44,1224 1.131,1225 1.05,1226 1.439,1227 1.381,1228 0.554,1229 1.401,1230 1.005,1231 0.928,1232 1.267,1233 1.339,1234 0.218,1235 1.341,1236 4.205,1238 5.525,1240 7.05,1242 8.672,1244 10.345,1246 3.634,1250 11.789,1252 1.078,1254 11.538,1262 34.278,1263 81.886,1264 191.076,1265 249.315,1266 273.315,1267 278.07,1268 278.07,1269 44.095,1270 7.799,1271 109.17,1272 109.17,1273 24,1274 12.626,1275 4.585,1276 3.644,1277 46.859,1278 118,1279 128,1280 0.188,1281 211.583,1282 356.96,1283 508.023,1284 27962,1286 21.087,1287 0.703,1288 0.564,1289 21.087,1290 16.923,1291 14.546,1292 0.441,1293 0.29,1294 9.416,1295 13.997,1296 9.116,1297 7.616,1298 14.546,1299 9.557,1300 13.012,1301 0.283,1302 0.152,1303 13.012,1304 6.999,1305 11.041,1306 0.181,1307 0.082,1308 11.041,1309 5.02,1310 9.4,1311 0.118,1312 0.043,1313 9.4,1314 3.413,1315 7.45,1316 0.073,1317 0.022,1318 7.45,1319 2.271,1320 0.293,1321 91.148,1322 0.213,1323 28.225,1324 0.521,1325 158,1326 453.031,1327 172.581,1328 442.133,1329 614.88,1330 416,1331 186,1332 461.789,1333 200.305,1334 472.698,1335 688.04,1336 442,1337 6.77}
{0 CHEMBL190486,1 1.66,2 11.448,3 2.454,4 6.02,5 108.057,6 7.644,7 0.548,8 4.057,9 4.175,10 3.62,11 3.518,12 5.272,13 3.529,14 4.553,15 4.719,16 3.969,17 3.878,18 5.799,19 3.867,20 4.742,21 4.911,22 4.042,23 4.031,24 5.865,25 4.008,26 4.86,27 5.049,28 4.024,29 4.082,30 5.993,31 4.023,32 4.941,33 5.175,34 3.929,35 4.083,36 6.025,37 3.993,38 4.856,39 5.095,40 3.873,41 4.034,42 5.814,43 3.938,44 4.842,45 5.066,46 3.9,47 3.983,48 5.866,49 3.914,50 4.808,51 5.023,52 3.888,53 3.921,54 5.948,55 3.862,56 0.133,57 0.767,58 10.476,59 4.349,60 19.414,61 5.575,62 0.472,63 1.144,64 19.626,65 7.506,66 59.522,67 9.735,68 0.453,69 1.354,70 23.869,71 8.405,72 53.875,73 11.182,74 0.564,75 1.479,76 27.524,77 9.921,78 65.172,79 13.318,80 0.871,81 1.517,82 32.083,83 9.774,84 91.001,85 14.391,86 0.458,87 1.389,88 28.997,89 10.173,90 51.047,91 14.686,92 0.556,93 1.316,94 29.099,95 9.77,96 54.754,97 13.661,98 0.602,99 1.277,100 27.672,101 8.821,102 63.817,103 12.46,104 45,105 43,106 0.277,107 0.664,108 0.848,109 0.876,110 0.883,111 0.883,112 3.408,113 0.878,114 -3.84,115 -3.8,116 -3.61,119 38.5,120 1,121 3,124 1,125 1,139 3,140 4,141 2,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 8,167 1,169 2,170 10,172 3,173 4,175 2,178 8,179 1,180 1,182 11,187 2,189 7,191 1,192 1,193 8,194 1,195 3,196 3,197 1,198 3,200 2,201 7,204 3,205 1,206 2,207 5,210 1,212 2,215 9,218 2,220 1,221 6,226 3,229 7,230 2,231 3,233 1,234 8,239 4,241 4,242 3,243 2,245 2,246 7,248 1,249 1,251 5,254 3,255 1,256 2,259 2,260 4,261 1,262 1,263 1,265 3,268 2,269 1,270 2,273 1470,274 19.231,275 19.231,276 19.231,277 19.231,278 19.231,279 16.891,280 25.82,281 11.323,282 19.78,283 15.227,284 15.227,285 15.227,286 15.227,287 15.227,288 11.631,289 33.289,290 5.316,291 16.019,292 4.04,293 1.722,294 0.62,295 0.452,296 0.414,297 0.414,298 4.088,301 1,302 1,303 692,304 3.674,307 248.922,311 127.914,314 1.667,315 35.723,318 1,319 0.83,320 1,321 1,322 0.5,323 0.83,324 0.5,325 0.81,326 64.5,327 332,328 4.657,329 3.596,330 6.838,331 4.194,332 3.219,333 4.617,334 2.341,335 11.245,336 3.142,337 4.28,338 3.358,339 6.211,340 3.885,341 2.918,342 3.922,343 0.86,344 9.335,345 2.82,346 3.886,347 3.173,348 5.77,349 3.466,350 2.51,351 3.395,352 0.86,353 7.768,354 2.397,355 3.561,356 2.738,357 5.225,358 3.241,359 2.263,360 2.869,361 0.68,362 6.517,363 2.215,364 3.537,365 2.672,366 5.097,367 3.157,368 2.21,369 2.856,371 5.919,372 2.055,373 3.452,374 2.258,375 5.01,376 2.979,377 2.045,378 2.711,380 5.797,381 1.902,382 3.375,383 2.073,384 4.66,385 2.9,386 1.978,387 2.689,389 5.183,390 1.819,391 2.896,392 1.972,393 4.454,394 2.558,395 1.605,396 2.025,398 4.316,399 1.521,400 2.691,401 1.639,402 4.159,403 2.307,404 1.345,405 1.76,407 3.407,408 1.284,409 2.493,410 1.443,411 3.504,412 2.241,413 1.273,414 1.478,415 2.805,416 1.227,417 1.863,418 1.182,419 3.192,420 1.589,421 0.678,422 0.767,423 1.399,424 0.608,425 1.674,426 0.961,427 2.941,428 1.354,429 0.424,430 0.508,431 0.941,432 0.391,433 1.463,434 0.671,435 2.824,436 1.213,437 0.303,438 0.339,439 0.547,440 0.273,441 1.207,442 0.461,443 2.727,444 0.841,445 -0.102,446 -0.127,448 -0.263,449 -0.095,450 1.121,451 0.192,452 2.624,453 0.782,454 -0.175,455 -0.209,457 -0.405,458 -0.166,459 13.333,460 0.46,461 0.788,462 0.027,463 38.5,464 1.328,465 19.5,466 0.672,467 19,468 0.655,469 24.02,470 0.828,471 32.267,472 0.621,473 30.603,474 1.055,475 7.746,476 0.267,477 6.139,478 0.212,479 0.185,481 0.375,485 0.946,486 1.308,487 0.807,488 1.111,489 0.914,490 0.946,491 0.804,492 0.895,493 0.745,494 0.928,495 0.462,496 0.852,497 1.17,498 1.195,499 1.003,500 1.058,501 1.01,502 1.008,503 0.973,504 1.145,505 1.086,506 1.206,507 0.794,508 1.193,509 0.799,510 0.928,511 1.096,512 0.961,513 0.805,514 1.055,515 0.643,516 1.019,517 0.9,518 1.098,519 0.475,520 1.059,521 0.958,522 1.023,523 0.913,524 1.035,525 0.629,526 0.986,527 0.992,528 1.119,529 1.014,530 1.141,531 0.911,532 1.097,533 6.5,534 0.219,535 3.111,536 2.313,537 2.022,538 0.847,539 0.69,540 0.573,541 0.378,542 0.326,543 9995,544 32492,545 1.993,546 44.2,547 5,548 8,550 1,551 5,552 2,553 2,555 1.723,556 1.832,557 3.452,558 2.494,559 1,560 1,564 86.333,565 1.66,566 3.978,567 5.08,568 5.248,569 5.287,570 5.287,571 2.905,572 4.582,573 4.824,574 3.636,575 1476.14,576 8.426,577 20120.9,579 1,581 1,582 296.423,583 1.519,584 4.768,585 0.21,586 0.009,587 0.072,588 0.05,589 0.047,590 0.022,591 0.019,592 0.015,593 0.01,594 0.011,595 0.466,596 0.17,597 1,598 1.574,599 147.339,600 -0.134,601 -0.061,602 0.01,603 0.003,604 -0.159,605 0.041,606 0.126,607 0.21,608 0.158,609 0.137,610 0.237,611 0.142,612 -0.203,613 -0.103,614 -0.095,615 -0.007,616 -0.17,617 -0.026,618 -0.071,619 -0.087,620 -0.167,621 -0.169,622 -0.047,623 -0.201,624 0.039,625 0.087,626 -0.138,627 0.017,628 -0.047,629 -0.07,630 0.033,631 -0.038,632 0.035,633 -0.06,634 0.031,635 -0.015,636 -0.041,637 -0.08,638 0.057,639 -0.007,640 0.018,641 0.036,642 -0.006,643 -0.138,644 -0.043,645 -0.144,646 -0.012,647 -0.11,648 2.512,649 3.688,650 0.552,651 30.119,652 1.015,653 1.136,654 2.611,655 6.818,656 0.648,657 3.466,658 3.784,659 4.025,660 4.29,661 4.522,662 4.615,663 4.7,664 4.812,665 4.927,666 4.97,667 6.752,668 0.629,669 397.48,670 3.466,671 5.004,672 5.844,673 6.723,674 7.585,675 8.473,676 9.347,677 10.239,678 11.121,679 12.016,680 9.6,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 2,718 52,719 18,720 1,721 31,723 54,724 20,725 13,726 3,727 3,729 3,730 4,734 1,739 3,741 14,742 6,744 1,748 1,751 1,754 1,757 23,758 9,759 5,760 9,764 5,769 0.667,770 4,775 1,776 1,781 3,785 1,792 1,800 1,802 2,806 2,810 29,811 2,815 1,816 4,818 2,829 7.7,831 1,832 1,834 2,836 15.833,837 9.8,838 6.472,839 2.874,840 3.623,841 1.484,842 0.948,843 6.595,844 11.111,845 3.726,846 4.357,847 4.934,848 5.547,849 6.133,850 6.449,851 6.804,852 7.219,853 7.653,854 7.864,855 0.875,856 46,857 10.656,859 4.444,860 7.971,861 19.842,863 15.687,865 2.471,866 71.667,869 1,870 211.88,871 98.849,872 116.151,874 89.828,877 98.849,878 301.708,879 116.151,880 19.708,881 12.196,882 94.223,883 130.866,884 55.379,885 4.227,886 200.109,888 211.88,889 215,890 89.828,893 190.053,894 113.37,897 31.968,898 130.961,899 50.357,901 211.88,902 205.979,903 98.849,906 211.88,907 41.665,908 57.184,910 205.979,911 211.88,912 205.979,913 98.849,915 0.578,916 0.329,917 0.177,918 0.097,919 19,920 10,921 0.148,922 8,923 1,924 1.125,925 3.945,926 248.58,927 0.125,928 16,929 140.881,933 20.93,934 9.137,935 4.981,936 1.121,937 205.979,938 7.239,939 12.547,943 4.457,945 108.478,946 516.708,947 40.5,951 10.688,954 -0.845,956 52.771,957 59.066,958 0.291,959 0.698,960 0.891,961 0.921,962 0.927,963 0.927,964 4.958,965 1.605,966 5.838,967 5.183,968 4.466,969 5.043,970 2.599,971 6.648,972 4.375,973 6.183,974 1.345,975 7.399,976 4.316,977 4.111,978 4.997,979 2.243,980 7.564,981 3.997,982 7.504,983 1.273,984 9.06,985 3.407,986 6.057,987 7.309,988 3.696,989 10.668,990 5.899,991 8.862,992 0.678,993 10.78,994 2.805,995 6.479,996 8.054,997 4.112,998 12.417,999 6.306,1000 10.249,1001 0.424,1002 12.538,1003 1.399,1004 7.928,1005 9.892,1006 5.211,1007 15.067,1008 7.721,1009 11.659,1010 0.303,1011 14.324,1012 0.941,1013 8.726,1014 11.026,1015 5.889,1016 17.185,1017 8.505,1018 13.087,1019 -0.102,1020 16.133,1021 0.547,1022 9.981,1023 12.673,1024 6.85,1025 19.677,1026 9.733,1027 3.219,1028 -0.175,1029 17.958,1030 -0.263,1031 10.964,1032 14.004,1033 7.625,1034 21.958,1035 10.7,1036 2.918,1037 11.245,1038 19.799,1039 -0.405,1040 12.145,1041 15.571,1042 8.526,1043 24.393,1044 11.856,1045 2.51,1046 9.335,1047 21.651,1048 4.617,1049 13.216,1050 17,1051 9.342,1052 26.746,1053 12.908,1054 2.263,1055 7.768,1056 23.513,1057 3.922,1058 14.372,1059 18.535,1060 10.216,1061 29.162,1062 14.04,1063 2.21,1064 6.517,1065 25.383,1066 3.395,1067 15.485,1068 20.012,1069 11.051,1070 31.548,1071 15.133,1072 2.045,1073 5.919,1074 27.26,1075 2.869,1076 16.634,1077 21.536,1078 11.912,1079 33.96,1080 16.26,1081 1.978,1082 5.797,1083 29.144,1084 2.856,1085 17.768,1086 23.037,1087 12.755,1088 36.36,1089 17.372,1090 9967,1091 18074,1092 19.997,1093 33.699,1094 45.689,1095 47.158,1096 47.637,1097 45.507,1098 45.544,1099 59.873,1100 9.482,1101 130.36,1102 43.311,1103 5.554,1104 5.596,1105 6.524,1106 5.269,1107 5.219,1108 7.617,1109 3.925,1110 18.521,1111 5.142,1112 17.588,1113 1.474,1114 1.521,1115 1.537,1116 1.468,1117 1.469,1118 1.931,1119 0.306,1120 4.205,1121 1.397,1122 4.084,1123 4.119,1124 4.058,1125 3.984,1126 7.474,1127 3.996,1128 3.911,1129 3.932,1130 3.867,1131 3.814,1132 6.351,1133 3.824,1134 3.679,1135 3.718,1136 3.566,1137 3.505,1138 5.321,1139 3.507,1140 3.516,1141 3.579,1142 3.449,1143 3.338,1144 4.982,1145 3.359,1146 3.308,1147 3.343,1148 3.199,1149 3.024,1150 4.909,1151 3.051,1152 3.201,1153 3.273,1154 3.054,1155 2.967,1156 4.794,1157 2.975,1158 3.165,1159 3.233,1160 3.027,1161 2.892,1162 4.57,1163 2.913,1164 3.043,1165 3.153,1166 2.897,1167 2.844,1168 4.202,1169 2.851,1170 0.15,1171 0.116,1172 0.221,1173 0.135,1174 0.104,1175 4.657,1176 0.149,1177 3.596,1178 0.076,1179 6.838,1180 0.363,1181 4.194,1182 0.101,1183 3.219,1184 4.617,1185 2.341,1186 11.245,1187 3.142,1188 2.014,1189 1.988,1190 2.084,1191 2.137,1192 1.28,1193 2.119,1194 1.87,1195 1.85,1196 1.959,1197 1.993,1198 1.192,1199 1.983,1200 1.64,1201 1.594,1202 1.874,1203 1.842,1204 1.061,1205 1.85,1206 1.45,1207 1.394,1208 1.614,1209 1.674,1210 0.683,1211 1.663,1212 1.215,1213 1.157,1214 1.567,1215 1.529,1216 0.567,1217 1.534,1218 1.156,1219 1.082,1220 1.489,1221 1.433,1222 0.557,1223 1.437,1224 1.092,1225 1.038,1226 1.364,1227 1.405,1228 0.515,1229 1.397,1230 1.005,1231 0.928,1232 1.267,1233 1.34,1234 0.206,1235 1.341,1236 4.143,1238 5.46,1240 6.971,1242 8.584,1244 10.257,1246 3.528,1250 11.693,1251 8.778,1252 1.305,1254 11.155,1262 32.707,1263 86.333,1264 206.855,1265 264.158,1266 272.913,1267 274.913,1268 274.913,1269 59.858,1270 7.488,1271 146.47,1272 146.47,1273 18,1274 12.545,1275 4.248,1276 3.392,1277 52.303,1278 114,1279 131,1280 0.22,1281 204.047,1282 351.18,1283 489.635,1284 18149,1286 20.966,1287 0.723,1288 0.562,1289 20.966,1290 16.306,1291 13.884,1292 0.448,1293 0.293,1294 8.904,1295 13.18,1296 8.654,1297 7.196,1298 13.884,1299 9.074,1300 12.609,1301 0.293,1302 0.153,1303 12.609,1304 6.57,1305 9.977,1306 0.181,1307 0.083,1308 9.977,1309 4.576,1310 8.434,1311 0.117,1312 0.043,1313 8.434,1314 3.084,1315 6.566,1316 0.072,1317 0.022,1318 6.566,1319 2.012,1320 0.344,1321 88.332,1322 0.224,1323 27.496,1324 0.609,1325 148,1326 496.916,1327 167.009,1328 472.444,1329 635.15,1330 440,1331 172,1332 460.455,1333 188.63,1334 464.439,1335 673.52,1336 434,1337 8.041}
{0 CHEMBL190650,1 1.627,2 12.103,3 3.13,4 9.799,5 110.528,6 7.829,7 0.548,8 4.012,9 4.13,10 3.598,11 3.527,12 5.261,13 3.53,14 4.484,15 4.651,16 3.942,17 3.886,18 5.764,19 3.864,20 4.655,21 4.816,22 4.016,23 4.037,24 5.83,25 4.005,26 4.77,27 4.951,28 3.995,29 4.072,30 5.983,31 4.009,32 4.831,33 5.067,34 3.86,35 4.058,36 5.896,37 3.963,38 4.784,39 5.031,40 3.815,41 3.997,42 5.775,43 3.896,44 4.685,45 4.896,46 3.822,47 3.932,48 5.786,49 3.857,50 4.695,51 4.919,52 3.754,53 3.835,54 5.861,55 3.762,56 0.106,57 0.743,58 9.4,59 4.117,60 19.699,61 5.092,62 0.387,63 1.122,64 17.356,65 7.165,66 56.85,67 9.199,68 0.292,69 1.323,70 20.157,71 8.004,72 49.743,73 10.26,74 0.424,75 1.445,76 23.612,77 9.335,78 63.805,79 12.112,80 0.382,81 1.494,82 26.979,83 9.283,84 61.201,85 13.237,86 0.378,87 1.353,88 26.929,89 9.791,90 52.428,91 13.936,92 0.273,93 1.245,94 22.974,95 8.85,96 41.267,97 12.028,98 0.521,99 1.2,100 24.585,101 8.142,102 67.945,103 11.181,104 45,105 43,106 0.272,107 0.691,108 0.848,109 0.877,110 0.877,111 0.877,112 3.408,113 0.865,114 -4.46,115 -4.39,116 -4.14,119 42,120 1,121 3,124 1,138 2,139 3,140 5,141 1,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 13,167 1,169 2,170 7,172 3,173 4,175 2,178 15,179 1,180 1,182 8,187 2,189 14,190 1,191 1,192 1,193 9,195 3,196 3,197 1,198 4,200 2,201 12,202 1,204 3,205 1,207 6,212 3,215 11,216 1,218 2,220 1,221 8,226 4,229 10,230 2,231 3,234 7,239 4,241 7,242 2,243 2,245 2,246 8,248 1,249 1,251 5,254 4,255 1,256 3,260 6,261 1,265 4,268 3,269 1,270 3,273 1465,274 19.231,275 19.231,276 19.231,277 19.231,278 19.231,279 16.592,280 22.378,281 11.319,282 19.642,283 15.227,284 15.227,285 15.227,286 15.227,287 15.227,288 11.181,289 26.565,290 5.306,291 15.802,292 4.017,293 1.506,294 0.565,295 0.39,296 0.39,297 0.39,298 4.087,301 1,302 1,303 733,304 3.674,307 254.336,311 132.487,314 1.914,315 32.827,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 63.5,327 351,328 4.658,329 3.601,330 6.838,331 4.194,332 3.219,333 4.617,334 2.341,335 11.245,336 3.143,337 4.315,338 3.358,339 6.206,340 3.891,341 2.915,342 3.958,343 0.86,344 9.303,345 2.847,346 3.964,347 3.178,348 5.769,349 3.475,350 2.512,351 3.406,352 0.68,353 7.764,354 2.422,355 3.847,356 2.835,357 5.252,358 3.277,359 2.291,360 3.128,362 6.64,363 2.248,364 3.54,365 2.676,366 5.097,367 3.194,368 2.199,369 2.861,371 5.914,372 2.165,373 3.453,374 2.277,375 5.01,376 2.977,377 2.043,378 2.714,380 5.795,381 1.903,382 3.381,383 2.231,384 4.657,385 2.899,386 1.976,387 2.694,389 5.177,390 1.819,391 3.184,392 2.061,393 4.43,394 2.501,395 1.536,396 2.011,398 4.185,399 1.477,400 2.877,401 1.878,402 4.15,403 2.376,404 1.377,405 2.009,407 3.391,408 1.368,409 2.69,410 1.5,411 3.511,412 2.255,413 1.298,414 1.76,415 2.858,416 1.238,417 1.957,418 1.147,419 3.205,420 1.641,421 0.715,422 0.832,423 1.415,424 0.653,425 1.838,426 0.888,427 2.946,428 1.38,429 0.402,430 0.52,431 0.969,432 0.39,433 1.616,434 0.649,435 2.823,436 1.24,437 0.303,438 0.382,439 0.565,440 0.282,441 1.202,442 0.502,443 2.726,444 0.839,445 -0.107,446 -0.133,448 -0.277,449 -0.1,450 1.075,451 0.192,452 2.616,453 0.698,454 -0.246,455 -0.302,457 -0.509,458 -0.23,459 13.5,460 0.466,461 0.788,462 0.027,463 39.5,464 1.362,465 21,466 0.724,467 18.5,468 0.638,469 23.1,470 0.797,471 30.9,472 0.618,473 31.216,474 1.076,475 7.98,476 0.275,477 5.904,478 0.204,479 0.183,481 0.37,485 0.941,486 1.174,487 0.796,488 0.977,489 0.915,490 0.868,491 0.64,492 0.81,493 0.697,494 0.847,495 0.437,496 0.804,497 1.038,498 1.188,499 0.992,500 1.065,501 1.031,502 1.029,503 0.907,504 1.107,505 1.092,506 1.179,507 0.755,508 1.188,509 0.759,510 1.005,511 1.098,512 1.059,513 0.601,514 1.106,515 0.602,516 0.903,517 0.865,518 0.973,519 0.474,520 0.965,521 0.801,522 1.151,523 0.933,524 1.168,525 0.608,526 1.097,527 1.025,528 0.992,529 1.044,530 1.026,531 1.026,532 1.04,533 6.5,534 0.194,535 3.111,536 2.313,537 2.022,538 0.847,539 0.731,540 0.479,541 0.39,542 0.271,543 10315,544 33656,545 1.993,546 42,547 7,548 6,550 1,551 5,552 2,555 1.72,556 1.832,557 3.517,558 2.46,559 1,560 1,564 81.351,565 1.627,566 4.138,567 5.079,568 5.254,569 5.254,570 5.254,571 3.069,572 4.789,573 4.823,574 3.718,575 1509.53,576 8.409,577 20669.2,579 1,581 1,582 282.193,583 1.519,584 4.768,585 0.21,586 0.009,587 0.072,588 0.05,589 0.047,590 0.023,591 0.02,592 0.013,593 0.012,594 0.01,595 0.467,597 1,598 1.574,599 148.161,600 -0.142,601 0.003,602 -0.003,603 0.059,604 -0.168,605 0.062,606 0.217,607 0.264,608 0.185,609 0.182,610 0.248,611 0.168,612 -0.171,613 -0.107,614 -0.124,615 -0.044,616 -0.197,617 -0.071,618 -0.04,619 -0.062,620 -0.192,621 -0.169,622 -0.001,623 -0.219,624 -0.108,625 0.026,626 -0.163,627 -0.082,628 -0.052,629 -0.112,630 0.056,631 0.042,632 0.101,633 0.047,634 0.043,635 0.082,636 -0.022,637 -0.186,638 0.005,639 -0.136,640 0.034,641 -0.074,642 0.009,643 -0.037,644 -0.044,645 -0.05,646 -0.072,647 -0.057,648 2.529,649 3.604,650 0.552,651 31.194,652 1.011,653 1.129,654 3.231,655 10.44,656 0.67,657 3.466,658 3.784,659 4.025,660 4.29,661 4.511,662 4.605,663 4.682,664 4.787,665 4.92,666 4.942,667 7.024,668 0.649,669 391.47,670 3.466,671 5.004,672 5.844,673 6.723,674 7.584,675 8.472,676 9.344,677 10.236,678 11.116,679 12.012,680 10,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 1,718 50,719 19,720 1,721 31,723 52,724 21,725 13,726 3,727 3,729 3,730 4,734 1,739 3,740 2,741 14,742 5,744 1,748 1,751 1,754 1,757 21,758 8,759 5,760 8,764 5,769 0.667,770 3,775 1,776 1,781 3,785 1,788 2,792 1,800 1,802 2,806 2,810 29,811 2,815 1,816 3,818 1,823 1,827 2,829 6,831 1,832 1,834 1,836 15.833,837 9.633,838 6.472,839 2.749,840 4.145,841 1.554,842 0.96,843 6.283,844 11.632,845 3.773,846 4.407,847 5.004,848 5.619,849 6.216,850 6.563,851 6.956,852 7.346,853 7.774,854 8.028,855 1,856 46,857 10.625,859 4.421,860 7.971,861 19.756,863 15.577,865 2.471,866 71.667,869 1,870 188.338,871 126.26,872 116.151,874 78.828,877 126.26,878 267.166,879 116.151,880 19.708,881 7.604,882 94.223,883 130.866,884 42.321,885 38.288,886 176.567,888 188.338,889 242.411,890 78.828,893 190.053,894 78.828,897 27.375,898 128.903,899 84.418,901 188.338,902 194.979,903 126.26,906 188.338,907 35.014,908 57.184,909 34.061,910 194.979,911 188.338,912 194.979,913 126.26,915 0.578,916 0.33,917 0.178,918 0.095,919 19,920 10,921 0.096,922 5,923 1,924 1.125,925 3.97,926 246.956,927 0.125,928 16,929 140.881,933 20.537,934 8.872,935 4.807,936 1.14,937 194.979,938 7.363,939 12.55,943 4.696,945 108.478,946 509.577,947 42.5,951 10.604,954 -0.862,956 50.56,957 56.441,958 0.288,959 0.733,960 0.9,961 0.931,962 0.931,963 0.931,964 5.012,965 1.536,966 5.838,967 5.177,968 4.466,969 5.094,970 2.482,971 6.648,972 4.399,973 6.258,974 1.377,975 7.399,976 4.185,977 4.111,978 4.997,979 2.243,980 7.564,981 4.019,982 7.589,983 1.298,984 9.06,985 3.391,986 6.057,987 7.371,988 3.668,989 10.667,990 5.938,991 8.953,992 0.715,993 10.78,994 2.858,995 6.479,996 8.068,997 4.112,998 12.415,999 6.338,1000 10.343,1001 0.402,1002 12.538,1003 1.415,1004 7.928,1005 9.946,1006 5.207,1007 15.065,1008 7.766,1009 11.754,1010 0.303,1011 14.324,1012 0.969,1013 8.726,1014 11.047,1015 5.889,1016 17.182,1017 8.542,1018 13.182,1019 -0.107,1020 16.132,1021 0.565,1022 9.981,1023 12.713,1024 6.849,1025 19.673,1026 9.777,1027 3.219,1028 -0.246,1029 17.958,1030 -0.277,1031 10.964,1032 14.025,1033 7.625,1034 21.954,1035 10.737,1036 2.915,1037 11.245,1038 19.798,1039 -0.509,1040 12.144,1041 15.6,1042 8.526,1043 24.389,1044 11.896,1045 2.512,1046 9.303,1047 21.65,1048 4.617,1049 13.215,1050 17.019,1051 9.342,1052 26.742,1053 12.944,1054 2.291,1055 7.764,1056 23.512,1057 3.958,1058 14.37,1059 18.557,1060 10.216,1061 29.159,1062 14.077,1063 2.199,1064 6.64,1065 25.382,1066 3.406,1067 15.483,1068 20.028,1069 11.051,1070 31.544,1071 15.166,1072 2.043,1073 5.914,1074 27.259,1075 3.128,1076 16.632,1077 21.553,1078 11.912,1079 33.956,1080 16.292,1081 1.976,1082 5.795,1083 29.142,1084 2.861,1085 17.766,1086 23.05,1087 12.755,1088 36.357,1089 17.403,1090 10267,1091 18648,1092 19.997,1093 33.483,1094 46.993,1095 47.511,1096 47.656,1097 45.605,1098 45.57,1099 61.785,1100 7.762,1101 130.438,1102 43.91,1103 5.439,1104 5.601,1105 6.526,1106 5.269,1107 5.219,1108 7.617,1109 3.925,1110 18.52,1111 5.143,1112 17.639,1113 1.516,1114 1.533,1115 1.537,1116 1.471,1117 1.47,1118 1.993,1119 0.25,1120 4.208,1121 1.416,1122 4.085,1123 4.12,1124 4.059,1125 3.992,1126 7.474,1127 4.002,1128 3.923,1129 3.946,1130 3.884,1131 3.85,1132 6.351,1133 3.856,1134 3.667,1135 3.698,1136 3.576,1137 3.528,1138 5.321,1139 3.531,1140 3.512,1141 3.574,1142 3.445,1143 3.336,1144 4.982,1145 3.356,1146 3.319,1147 3.349,1148 3.249,1149 3.117,1150 4.919,1151 3.143,1152 3.185,1153 3.276,1154 3.052,1155 2.974,1156 4.796,1157 2.971,1158 3.147,1159 3.202,1160 2.983,1161 2.888,1162 4.652,1163 2.897,1164 3.043,1165 3.153,1166 2.918,1167 2.845,1168 4.246,1169 2.858,1170 0.15,1171 0.116,1172 0.221,1173 0.135,1174 0.104,1175 4.658,1176 0.149,1177 3.601,1178 0.076,1179 6.838,1180 0.363,1181 4.194,1182 0.101,1183 3.219,1184 4.617,1185 2.341,1186 11.245,1187 3.143,1188 2.019,1189 1.993,1190 2.089,1191 2.137,1192 1.281,1193 2.119,1194 1.899,1195 1.878,1196 1.976,1197 1.991,1198 1.1,1199 1.989,1200 1.63,1201 1.594,1202 1.826,1203 1.81,1204 1.047,1205 1.811,1206 1.449,1207 1.394,1208 1.607,1209 1.667,1210 0.684,1211 1.658,1212 1.238,1213 1.203,1214 1.571,1215 1.522,1216 0.574,1217 1.535,1218 1.172,1219 1.087,1220 1.504,1221 1.422,1222 0.558,1223 1.446,1224 1.081,1225 1.025,1226 1.272,1227 1.349,1228 0.234,1229 1.342,1230 0.999,1231 0.926,1232 1.258,1233 1.332,1234 0.206,1235 1.314,1236 4.143,1238 5.46,1240 6.971,1242 8.584,1244 10.256,1246 3.55,1250 11.687,1251 8.708,1252 0.866,1254 5.484,1261 5.88,1262 32.466,1263 81.351,1264 206.909,1265 253.928,1266 262.683,1267 262.683,1268 262.683,1269 57.186,1270 7.488,1271 137.24,1272 137.24,1273 18,1274 12.54,1275 4.322,1276 3.644,1277 52.494,1278 119,1279 140,1280 0.213,1281 203.788,1282 354.41,1283 489.003,1284 18149,1286 20.966,1287 0.723,1288 0.558,1289 20.966,1290 16.191,1291 13.884,1292 0.448,1293 0.288,1294 8.798,1295 13.317,1296 8.52,1297 7.106,1298 13.884,1299 8.935,1300 12.609,1301 0.293,1302 0.151,1303 12.609,1304 6.473,1305 9.962,1306 0.181,1307 0.082,1308 9.962,1309 4.492,1310 8.509,1311 0.118,1312 0.042,1313 8.509,1314 3.045,1315 6.495,1316 0.072,1317 0.022,1318 6.495,1319 1.955,1320 0.335,1321 87.424,1322 0.224,1323 27.669,1324 0.578,1325 148,1326 477.181,1327 163.466,1328 464.955,1329 626.91,1330 432,1331 172,1332 455.001,1333 185.308,1334 464.795,1335 671.05,1336 434,1337 9.495}
{0 CHEMBL190807,1 1.606,2 11.941,3 3.432,4 11.777,5 129.176,6 8.481,7 0.605,8 4.103,9 4.217,10 3.773,11 3.676,12 5.371,13 3.688,14 4.559,15 4.701,16 4.15,17 4.052,18 5.878,19 4.047,20 4.817,21 4.985,22 4.276,23 4.236,24 6.048,25 4.219,26 4.858,27 5.041,28 4.233,29 4.284,30 6.026,31 4.232,32 4.94,33 5.132,34 4.203,35 4.346,36 6.013,37 4.27,38 4.981,39 5.202,40 4.182,41 4.302,42 6.06,43 4.225,44 4.921,45 5.132,46 4.178,47 4.225,48 6.072,49 4.174,50 4.82,51 5.017,52 4.103,53 4.113,54 6.047,55 4.07,56 0.112,57 0.837,58 8.205,59 3.955,60 19.973,61 4.403,62 0.325,63 1.317,64 14.366,65 6.693,66 48.134,67 8.103,68 0.442,69 1.667,70 20.737,71 8.452,72 59.285,73 9.931,74 0.364,75 1.726,76 21.696,77 9.622,78 44.075,79 12.173,80 0.294,81 1.804,82 24.345,83 10.987,84 43.438,85 14.117,86 0.409,87 1.828,88 28.692,89 11.665,90 52.644,91 15.435,92 0.377,93 1.694,94 27.182,95 10.667,96 51.977,97 13.729,98 0.461,99 1.537,100 23.732,101 9.242,102 57.944,103 11.527,104 21,105 54,106 0.26,107 0.668,108 0.791,109 0.87,110 0.896,111 0.902,112 3.561,113 0.823,114 -4.53,115 -4.46,116 -4.2,119 47.2,121 1,125 1,134 2,138 2,139 7,140 3,141 2,142 1,143 2,144 1,146 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 14,167 1,169 2,170 5,172 3,173 4,175 1,178 16,179 1,181 4,182 7,184 1,185 1,187 1,189 16,190 1,192 2,193 4,195 3,196 3,197 1,198 1,200 2,201 17,202 1,205 1,207 6,209 1,210 1,212 1,215 16,216 2,220 2,221 13,223 1,224 1,226 2,229 12,230 2,234 11,235 1,239 2,241 8,242 2,245 1,246 14,248 1,249 2,251 6,254 4,255 1,256 4,260 15,265 7,268 2,269 2,270 6,273 2236,274 23.085,275 23.085,276 23.085,277 23.085,278 23.085,279 19.682,280 25.243,281 13.606,282 23.467,283 18.801,284 18.801,285 18.801,286 18.801,287 18.801,288 13.669,289 34.004,290 6.487,291 19.472,292 4.122,293 1.601,294 0.838,295 0.354,296 0.189,297 0.151,298 4.271,301 1,302 1,303 885,304 3.536,307 282.037,308 76.019,311 123.432,312 249.12,314 1.765,315 33.198,318 1,319 0.83,320 1,321 0.4,323 0.83,324 0.5,325 0.65,326 73.5,327 406,328 4.568,329 3.651,330 6.872,331 4.208,332 3.243,333 4.491,334 2.467,335 11.497,336 3.137,337 4.529,338 3.452,339 6.502,340 4.016,341 3.073,342 4.199,343 0.916,344 10.175,345 2.897,346 4.217,347 3.128,348 6.31,349 3.786,350 2.796,351 3.81,352 0.42,353 9.505,354 2.766,355 3.855,356 3.028,357 5.634,358 3.408,359 2.448,360 3.245,361 0.172,362 7.456,363 2.349,364 3.769,365 2.625,366 5.281,367 3.245,368 2.255,369 3.008,371 6.654,372 2.22,373 3.521,374 2.442,375 5.062,376 3.147,377 2.182,378 2.811,380 5.802,381 2.091,382 3.429,383 2.216,384 4.976,385 2.955,386 2.025,387 2.749,389 5.753,390 1.876,391 3.399,392 2.138,393 4.79,394 2.871,395 1.939,396 2.649,398 5.215,399 1.801,400 3.29,401 2.027,402 4.643,403 2.735,404 1.745,405 2.408,407 4.917,408 1.723,409 3.068,410 1.838,411 4.103,412 2.48,413 1.488,414 2.166,415 3.487,416 1.474,417 2.872,418 1.518,419 3.861,420 2.414,421 1.414,422 2.028,423 3.175,424 1.414,425 2.848,426 1.414,427 3.709,428 2.131,429 1.134,430 1.779,431 2.633,432 1.125,433 2.456,434 1.109,435 3.588,436 1.923,437 1.008,438 1.435,439 2.565,440 0.921,441 2.429,442 1.057,443 3.371,444 1.88,445 0.898,446 1.278,448 2.144,449 0.878,450 2.088,451 0.786,452 3.174,453 1.594,454 0.619,455 0.87,457 1.531,458 0.602,459 15.967,460 0.47,461 0.853,462 0.025,463 51.25,464 1.507,465 28.5,466 0.838,467 22.75,468 0.669,469 24.996,470 0.735,471 33.833,472 0.638,473 42.767,474 1.258,475 10.304,476 0.303,477 6.187,478 0.182,479 0.092,481 0.37,485 0.948,486 1.142,487 0.719,488 0.844,489 0.908,490 0.751,491 0.52,492 1.017,493 0.711,494 0.937,495 0.423,496 0.872,497 0.998,498 0.944,499 0.949,500 0.867,501 0.879,502 0.892,503 0.544,504 0.911,505 0.955,506 1.026,507 0.35,508 1.053,509 0.573,510 1.048,511 1.046,512 1.155,513 0.495,514 1.177,515 0.615,516 0.902,517 0.946,518 1.022,519 0.571,520 1.036,521 0.89,522 1.008,523 0.898,524 0.986,525 0.784,526 0.95,527 0.995,528 1.032,529 0.989,530 1.025,531 1.073,532 1.015,533 6.5,534 0.286,535 3.778,536 2.5,537 2.238,538 1.063,539 0.734,540 0.631,541 0.513,542 0.385,543 15730,544 49078,545 2.127,546 35.8,548 11,550 1,551 5,552 2,555 1.766,556 2,557 3.474,558 2.307,564 85.121,565 1.606,566 4.127,567 4.89,568 5.374,569 5.539,570 5.577,571 2.985,572 4.97,573 5.053,574 3.669,575 2058.36,576 8.902,577 30231.1,579 1,582 303.58,583 1.379,584 5.023,585 0.171,586 0.009,587 0.07,588 0.041,589 0.039,590 0.019,591 0.014,592 0.012,593 0.01,594 0.009,595 0.393,596 0.17,597 0.88,598 1.111,599 179.314,600 -0.165,601 -0.042,602 0.001,603 0.076,604 -0.192,605 0.074,606 0.252,607 0.056,608 0.083,609 -0.002,610 0.214,611 0.002,612 -0.09,613 0.119,614 -0.086,615 0.066,616 -0.088,618 0.072,619 0.118,620 -0.09,621 -0.056,622 0.113,623 -0.097,624 -0.024,625 -0.07,626 -0.156,627 -0.149,628 -0.031,629 -0.171,630 0.05,631 0.049,632 0.035,633 -0.002,634 0.009,635 0.013,636 -0.049,637 -0.063,638 0.096,639 0.028,640 0.004,641 0.081,642 0.003,643 -0.065,644 -0.01,645 -0.035,646 -0.054,647 -0.029,648 2.626,649 3.911,650 0.735,651 36.017,652 1.013,653 1.121,654 3.305,655 10.923,656 0.708,657 3.664,658 4.007,659 4.304,660 4.625,661 4.92,662 5.075,663 5.263,664 5.451,665 5.649,666 5.775,667 6.919,668 0.693,669 449.51,670 3.664,671 5.22,672 6.084,673 6.98,674 7.865,675 8.768,676 9.663,677 10.569,678 11.47,679 12.378,680 13.2,684 2,688 1,690 4,694 2,695 8,696 4,700 8,702 23,711 2,714 1,718 53,719 26,720 2,721 38,723 57,724 25,725 18,726 5,727 7,728 2,729 5,730 9,739 1,740 2,741 21,742 2,744 2,748 1,749 2,751 1,757 19,758 9,759 5,760 9,764 7,769 0.4,770 2,774 1,776 1,781 4,782 1,785 1,786 2,788 2,792 1,795 2,800 1,802 2,810 34,811 2,815 1,816 2,821 1,823 1,827 2,829 3.8,831 1,832 1,836 17,837 9.617,838 7.361,839 2.938,840 5.924,841 1.682,842 1.024,843 5.649,844 14.612,845 3.998,846 4.64,847 5.268,848 5.921,849 6.532,850 6.899,851 7.37,852 7.838,853 8.323,854 8.686,855 1,856 61,857 12.467,859 5.385,860 7.892,861 23.292,863 19.1,865 2.392,866 81.333,869 1,870 164.795,871 159.858,872 136.061,874 67.828,877 159.858,878 232.624,879 136.061,881 4.64,882 151.081,883 147.651,884 33.858,885 38.288,886 153.024,888 164.795,889 295.919,890 67.828,893 166.511,894 67.828,897 23.612,898 150.436,899 120.156,901 164.795,902 203.889,903 159.858,906 164.795,907 31.464,908 97.458,909 34.061,910 200.765,911 164.795,912 203.889,913 159.858,915 0.583,916 0.336,917 0.191,918 0.109,919 27,920 12,921 0.053,922 3,923 3,924 1.24,925 4.332,926 339.944,927 0.24,928 25,929 172.974,933 21.542,934 8.916,935 4.341,936 0.726,937 203.889,938 15.433,939 17.126,943 5.427,945 108.478,946 528.543,947 53.5,951 10.911,952 4.025,954 -0.959,956 53.669,957 59.398,958 0.28,959 0.72,960 0.854,961 0.938,962 0.967,963 0.974,964 5.246,965 1.939,966 6.075,967 5.753,968 4.691,969 5.328,970 2.571,971 6.911,972 4.621,973 6.486,974 1.745,975 7.644,976 5.215,977 4.29,978 5.121,979 2.283,980 7.854,981 4.172,982 7.81,983 1.488,984 9.315,985 4.917,986 6.301,987 7.582,988 3.903,989 10.991,990 6.157,991 9.167,992 1.414,993 11.047,994 3.487,995 6.711,996 8.192,997 4.327,998 12.784,999 6.518,1000 10.553,1001 1.134,1002 12.819,1003 3.175,1004 8.197,1005 10.117,1006 5.541,1007 15.443,1008 7.979,1009 11.96,1010 1.008,1011 14.62,1012 2.633,1013 8.997,1014 11.148,1015 6.234,1016 17.59,1017 8.731,1018 13.385,1019 0.898,1020 16.443,1021 2.565,1022 10.273,1023 12.83,1024 7.28,1025 20.086,1026 9.978,1027 3.243,1028 0.619,1029 18.281,1030 2.144,1031 11.261,1032 14.082,1033 8.085,1034 22.383,1035 10.922,1036 3.073,1037 11.497,1038 20.132,1039 1.531,1040 12.453,1041 15.651,1042 9.055,1043 24.822,1044 12.082,1045 2.796,1046 10.175,1047 21.993,1048 4.491,1049 13.529,1050 17.017,1051 9.912,1052 27.184,1053 13.115,1054 2.448,1055 9.505,1056 23.862,1057 4.199,1058 14.691,1059 18.534,1060 10.847,1061 29.606,1062 14.243,1063 2.255,1064 7.456,1065 25.738,1066 3.81,1067 15.809,1068 19.957,1069 11.728,1070 31.999,1071 15.32,1072 2.182,1073 6.654,1074 27.619,1075 3.245,1076 16.962,1077 21.452,1078 12.646,1079 34.418,1080 16.438,1081 2.025,1082 5.802,1083 29.505,1084 3.008,1085 18.099,1086 22.905,1087 13.538,1088 36.827,1089 17.536,1090 14863,1091 26399,1092 25.66,1093 37.517,1094 58.569,1095 58.604,1096 58.638,1097 56.946,1098 56.886,1099 78.293,1100 7.95,1101 165.903,1102 54.882,1103 5.416,1104 5.651,1105 6.555,1106 5.29,1107 5.243,1108 7.491,1109 4.183,1110 19.023,1111 5.137,1112 16.168,1113 1.541,1114 1.542,1115 1.543,1116 1.499,1117 1.497,1118 2.06,1119 0.209,1120 4.366,1121 1.444,1122 4.088,1123 4.125,1124 4.056,1125 4.009,1126 7.474,1127 4.013,1128 3.988,1129 4.029,1130 3.966,1131 3.834,1132 6.351,1133 3.867,1134 3.815,1135 3.838,1136 3.76,1137 3.772,1138 5.342,1139 3.766,1140 3.596,1141 3.619,1142 3.529,1143 3.45,1144 4.99,1145 3.461,1146 3.507,1147 3.568,1148 3.442,1149 3.322,1150 4.915,1151 3.343,1152 3.307,1153 3.354,1154 3.195,1155 3.226,1156 4.853,1157 3.212,1158 3.178,1159 3.246,1160 3.118,1161 2.968,1162 4.724,1163 2.999,1164 3.1,1165 3.218,1166 2.993,1167 2.849,1168 4.456,1169 2.873,1170 0.12,1171 0.096,1172 0.181,1173 0.111,1174 0.085,1175 4.568,1176 0.118,1177 3.651,1178 0.065,1179 6.872,1180 0.303,1181 4.208,1182 0.083,1183 3.243,1184 4.491,1185 2.467,1186 11.497,1187 3.137,1188 1.957,1189 1.931,1190 2.031,1191 2.117,1192 1.182,1193 2.083,1194 1.926,1195 1.9,1196 2.02,1197 2.007,1198 1.13,1199 2.002,1200 1.886,1201 1.848,1202 1.936,1203 1.981,1204 0.975,1205 1.994,1206 1.541,1207 1.517,1208 1.693,1209 1.73,1210 0.787,1211 1.711,1212 1.434,1213 1.377,1214 1.594,1215 1.655,1216 0.711,1217 1.64,1218 1.327,1219 1.283,1220 1.528,1221 1.446,1222 0.571,1223 1.477,1224 1.093,1225 1.038,1226 1.291,1227 1.382,1228 0.262,1229 1.366,1230 0.982,1231 0.942,1232 1.256,1233 1.35,1234 0.17,1235 1.333,1236 4.344,1238 5.68,1240 7.212,1241 2.708,1242 8.841,1243 5.38,1244 10.523,1250 11.683,1251 8.947,1252 0.169,1257 2.122,1261 5.724,1262 36.74,1263 85.121,1264 218.709,1265 259.173,1266 284.825,1267 293.58,1268 295.58,1269 52.315,1270 8.688,1271 145.83,1272 145.83,1273 31,1274 12.896,1275 4.755,1276 4.044,1277 49.685,1278 134,1279 164,1280 0.174,1281 225.254,1282 390.64,1283 541.379,1284 83138,1286 23.656,1287 0.696,1288 0.527,1289 23.656,1290 17.934,1291 16.491,1292 0.434,1293 0.274,1294 10.288,1295 15.928,1296 10.092,1297 8.341,1298 16.491,1299 10.423,1300 15.186,1301 0.281,1302 0.141,1303 15.186,1304 7.59,1305 12.535,1306 0.172,1307 0.073,1308 12.535,1309 5.315,1310 11.124,1311 0.11,1312 0.038,1313 11.124,1314 3.856,1315 9.44,1316 0.069,1317 0.02,1318 9.44,1319 2.746,1320 0.268,1321 102.896,1322 0.197,1323 30.929,1324 0.493,1325 184,1326 550.735,1327 201.389,1328 546.7,1329 755.9,1330 510,1331 219,1332 569.793,1333 235.479,1334 580.162,1335 849.89,1336 547,1337 6.131}
{0 CHEMBL190935,1 1.615,2 12.839,3 3.053,4 9.323,5 117.575,6 7.337,7 0.515,8 4.153,9 4.274,10 3.688,11 3.608,12 5.308,13 3.609,14 4.673,15 4.851,16 4.022,17 3.956,18 5.817,19 3.936,20 4.842,21 5.023,22 4.105,23 4.1,24 5.917,25 4.074,26 4.932,27 5.114,28 4.094,29 4.16,30 6.07,31 4.101,32 5.044,33 5.277,34 3.986,35 4.177,36 6.089,37 4.078,38 4.978,39 5.228,40 3.934,41 4.133,42 5.881,43 4.021,44 4.971,45 5.21,46 3.959,47 4.069,48 5.932,49 3.988,50 4.902,51 5.124,52 3.955,53 4.005,54 5.97,55 3.942,56 0.088,57 0.84,58 12.305,59 4.996,60 13.883,61 6.658,62 0.501,63 1.242,64 23.483,65 8.463,66 47.681,67 11.262,68 0.46,69 1.451,70 27.962,71 9.307,72 44.301,73 12.789,74 0.541,75 1.584,76 30.392,77 10.733,78 63.074,79 14.537,80 0.888,81 1.656,82 36.132,83 10.978,84 89.017,85 16.293,86 0.411,87 1.539,88 33.367,89 11.63,90 46.911,91 17.116,92 0.572,93 1.444,94 34.121,95 11.022,96 54.755,97 15.775,98 0.628,99 1.377,100 31.39,101 9.669,102 61.28,103 13.869,104 47,105 45,106 0.264,107 0.614,108 0.836,109 0.872,110 0.878,111 0.878,112 3.472,113 0.914,114 -4.28,115 -4.22,116 -3.98,119 37.9,120 2,121 3,124 1,125 2,139 3,140 4,141 2,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,166 8,169 3,170 12,172 3,173 3,175 1,178 8,180 1,182 12,187 1,189 7,191 1,192 1,193 9,195 3,196 3,197 1,198 3,200 2,201 8,204 3,205 1,206 3,207 5,212 2,215 10,218 2,220 1,221 6,226 3,229 7,231 3,233 1,234 11,239 2,241 4,243 2,245 2,246 10,248 1,249 1,251 2,254 3,256 2,259 2,260 5,262 1,263 1,265 2,268 4,270 2,273 1871,274 20.809,275 20.809,276 20.809,277 20.809,278 20.809,279 18.521,280 27.911,281 12.392,282 21.546,283 16.176,284 16.176,285 16.176,286 16.176,287 16.176,288 12.598,289 34.905,290 5.731,291 17.155,292 4.243,293 2.099,294 0.742,295 0.522,296 0.487,297 0.487,298 4.152,301 1,302 1,303 829,304 3.937,307 273.59,311 140.195,314 1.919,315 35.326,318 1,319 0.67,320 0.83,321 1,322 1,323 1,324 1,325 0.93,326 68.5,327 398,328 4.657,329 3.681,330 6.838,331 4.194,332 3.219,333 4.617,334 2.443,335 11.245,336 3.142,337 4.28,338 3.358,339 6.211,340 3.885,341 2.918,342 3.922,343 0.86,344 9.335,345 2.82,346 3.886,347 3.173,348 5.77,349 3.466,350 2.51,351 3.395,352 0.86,353 7.768,354 2.397,355 3.656,356 2.738,357 5.225,358 3.349,359 2.373,360 2.869,361 0.68,362 6.517,363 2.292,364 3.548,365 2.672,366 5.097,367 3.163,368 2.241,369 2.857,370 0.286,371 6.066,372 2.057,373 3.452,374 2.258,375 5.029,376 2.979,377 2.046,378 2.823,380 5.919,381 1.903,382 3.375,383 2.073,384 5.01,385 2.901,386 1.978,387 2.691,389 5.797,390 1.82,391 2.897,392 1.973,393 4.457,394 2.573,395 1.625,396 2.026,398 4.326,399 1.531,400 2.691,401 1.82,402 4.16,403 2.354,404 1.394,405 1.76,407 3.41,408 1.329,409 2.52,410 1.637,411 3.595,412 2.249,413 1.291,414 1.516,415 2.962,416 1.234,417 2.124,418 1.443,419 3.212,420 1.955,421 1.026,422 1.084,423 1.81,424 0.938,425 1.854,426 1.181,427 3.111,428 1.574,429 0.657,430 0.745,431 1.278,432 0.593,433 1.674,434 0.951,435 2.85,436 1.353,437 0.423,438 0.508,439 0.925,440 0.391,441 1.461,442 0.667,443 2.823,444 1.208,445 0.292,446 0.327,448 0.519,449 0.265,450 1.207,451 0.374,452 2.722,453 0.841,454 -0.101,455 -0.126,457 -0.261,458 -0.095,459 14.333,460 0.462,461 0.75,462 0.024,463 39.75,464 1.282,465 19.5,466 0.629,467 20.25,468 0.653,469 27.416,470 0.884,471 34.867,472 0.601,473 31.91,474 1.029,475 7.927,476 0.256,477 6.995,478 0.226,479 0.184,481 0.349,485 0.904,486 1.385,487 0.821,488 1.213,489 0.859,490 1.021,491 0.949,492 0.896,493 0.789,494 0.921,495 0.59,496 0.851,497 1.291,498 1.132,499 0.975,500 0.982,501 1.065,502 0.93,503 1.124,504 1.187,505 1.141,506 1.234,507 1.124,508 1.214,509 0.918,510 0.951,511 1.141,512 0.982,513 1.15,514 1.074,515 0.607,516 1.037,517 0.876,518 1.109,519 0.512,520 1.053,521 1.037,522 0.978,523 0.893,524 0.976,525 0.691,526 0.927,527 1.127,528 1.04,529 0.997,530 1.031,531 0.951,532 1,533 6.5,534 0.239,535 3.333,536 2.438,537 2.022,538 0.847,539 0.69,540 0.573,541 0.378,542 0.336,543 12365,544 36482,545 1.993,546 46.6,547 5,548 10,550 1,551 4,552 2,553 5,555 1.739,556 1.842,557 3.595,558 1.632,560 1,564 93.664,565 1.615,566 3.759,567 5.116,568 5.336,569 5.371,570 5.371,571 3.084,572 4.954,573 4.919,574 3.779,575 1757.39,576 8.611,577 25539.5,579 1,581 1,582 339.763,583 1.492,584 4.869,585 0.197,586 0.008,587 0.074,588 0.05,589 0.044,590 0.021,591 0.018,592 0.014,593 0.01,594 0.01,595 0.446,597 1,598 1.832,599 162.13,600 -0.085,601 -0.118,602 0.036,603 -0.069,604 -0.123,605 0.004,606 0.106,607 0.191,608 0.159,609 0.137,610 0.177,611 0.147,612 -0.201,613 -0.053,614 -0.022,615 0.064,616 -0.144,617 0.056,618 -0.102,619 -0.102,620 -0.201,621 -0.186,622 -0.066,623 -0.224,624 0.007,625 0.072,626 -0.174,627 -0.001,628 -0.118,629 -0.097,630 0.057,631 -0.059,632 0.059,633 -0.073,634 0.046,635 -0.012,636 -0.042,637 -0.052,638 0.094,639 0.035,640 0.023,641 0.081,642 -0.029,643 -0.062,644 -0.005,645 -0.041,646 -0.007,647 -0.023,648 1.889,649 4.51,650 0.516,651 35.573,652 1.009,653 1.136,654 3.053,655 9.32,656 0.642,657 3.526,658 3.829,659 4.078,660 4.331,661 4.543,662 4.635,663 4.718,664 4.836,665 4.963,666 5.011,667 7.365,668 0.617,669 425.54,670 3.526,671 5.056,672 5.894,673 6.767,674 7.627,675 8.51,676 9.381,677 10.269,678 11.147,679 12.04,680 8.6,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 2,718 58,719 18,720 1,721 33,723 60,724 22,725 13,726 3,727 3,729 3,730 4,734 2,739 3,741 14,742 8,744 1,748 1,751 1,754 1,757 27,758 9,759 4,760 9,764 5,769 0.667,770 4,775 1,776 1,781 3,785 1,793 1,802 2,806 3,810 31,811 2,816 5,818 3,829 6.9,832 1,834 3,836 16.833,837 11.267,838 7.056,839 3.449,840 3.633,841 1.478,842 0.952,843 7.743,844 11.238,845 3.773,846 4.382,847 4.963,848 5.563,849 6.138,850 6.452,851 6.807,852 7.222,853 7.657,854 7.87,855 0.889,856 49,857 11.415,859 4.686,860 7.844,861 21.492,863 16.799,865 2.344,866 72.667,869 1,870 270.735,871 118.548,872 116.151,874 58.145,877 118.548,878 328.88,879 116.151,880 28.533,881 16.788,882 94.223,883 94.464,884 66.379,885 4.227,886 258.964,888 270.735,889 234.699,890 58.145,893 213.595,894 117,897 45.385,898 137.242,899 50.357,901 270.735,902 174.296,903 118.548,906 270.735,907 52.539,908 66.01,910 174.296,911 270.735,912 174.296,913 118.548,915 0.571,916 0.334,917 0.181,918 0.094,919 19,920 10,921 0.167,922 10,923 1,924 1.125,925 4.148,926 268.417,927 0.125,928 16,929 153.58,933 22.883,934 10.49,935 5.672,936 1.152,937 174.296,938 7.38,939 12.625,943 4.637,945 65.794,946 563.579,947 42.5,951 11.51,954 -0.223,956 58.538,957 65.896,958 0.276,959 0.642,960 0.873,961 0.911,962 0.917,963 0.917,964 4.999,965 1.625,966 5.878,967 5.797,968 4.511,969 5.069,970 2.703,971 6.681,972 4.411,973 6.211,974 1.394,975 7.434,976 4.326,977 4.111,978 4.997,979 2.243,980 7.582,981 3.997,982 7.527,983 1.291,984 9.091,985 3.41,986 6.094,987 7.323,988 3.896,989 10.689,990 5.922,991 8.881,992 1.026,993 10.808,994 2.962,995 6.494,996 8.061,997 4.269,998 12.43,999 6.317,1000 10.266,1001 0.657,1002 12.563,1003 1.81,1004 7.958,1005 9.9,1006 5.494,1007 15.078,1008 7.738,1009 11.675,1010 0.423,1011 14.347,1012 1.278,1013 8.744,1014 11.031,1015 6.158,1016 17.191,1017 8.518,1018 13.102,1019 0.292,1020 16.152,1021 0.925,1022 10.003,1023 12.677,1024 7.209,1025 19.681,1026 9.745,1027 3.219,1028 -0.101,1029 17.975,1030 0.519,1031 10.979,1032 14.006,1033 7.992,1034 21.96,1035 10.71,1036 2.918,1037 11.245,1038 19.813,1039 -0.261,1040 12.16,1041 15.573,1042 8.963,1043 24.394,1044 11.864,1045 2.51,1046 9.335,1047 21.662,1048 4.617,1049 13.227,1050 17.001,1051 9.802,1052 26.747,1053 12.915,1054 2.373,1055 7.768,1056 23.522,1057 3.922,1058 14.381,1059 18.536,1060 10.734,1061 29.163,1062 14.046,1063 2.241,1064 6.517,1065 25.391,1066 3.395,1067 15.492,1068 20.012,1069 11.599,1070 31.548,1071 15.138,1072 2.046,1073 6.066,1074 27.267,1075 2.869,1076 16.641,1077 21.537,1078 12.512,1079 33.96,1080 16.263,1081 1.978,1082 5.919,1083 29.149,1084 2.857,1085 17.773,1086 23.037,1087 13.391,1088 36.361,1089 17.375,1090 12322,1091 21292,1092 21.383,1093 37.222,1094 48.086,1095 49.925,1096 50.412,1097 47.93,1098 47.99,1099 62.285,1100 10.258,1101 135.752,1102 45.421,1103 5.583,1104 5.681,1105 6.617,1106 5.269,1107 5.219,1108 7.617,1109 4.174,1110 18.521,1111 5.142,1112 18.476,1113 1.457,1114 1.513,1115 1.528,1116 1.452,1117 1.454,1118 1.887,1119 0.311,1120 4.114,1121 1.376,1122 4.084,1123 4.12,1124 4.058,1125 3.984,1126 7.432,1127 3.996,1128 3.912,1129 3.932,1130 3.868,1131 3.814,1132 5.321,1133 3.824,1134 3.71,1135 3.743,1136 3.605,1137 3.523,1138 4.982,1139 3.53,1140 3.516,1141 3.58,1142 3.449,1143 3.338,1144 4.91,1145 3.359,1146 3.47,1147 3.538,1148 3.294,1149 3.258,1150 4.794,1151 3.25,1152 3.274,1153 3.33,1154 3.117,1155 3.016,1156 4.572,1157 3.03,1158 3.176,1159 3.268,1160 3.051,1161 2.956,1162 4.463,1163 2.962,1164 3.134,1165 3.184,1166 2.973,1167 2.866,1168 4.202,1169 2.885,1170 0.141,1171 0.112,1172 0.207,1173 0.127,1174 0.098,1175 4.657,1176 0.14,1177 3.681,1178 0.074,1179 6.838,1180 0.341,1181 4.194,1182 0.095,1183 3.219,1184 4.617,1185 2.443,1186 11.245,1187 3.142,1188 2.014,1189 1.988,1190 2.084,1191 2.137,1192 1.28,1193 2.119,1194 1.87,1195 1.85,1196 1.959,1197 1.993,1198 1.196,1199 1.984,1200 1.655,1201 1.612,1202 1.884,1203 1.867,1204 1.061,1205 1.869,1206 1.46,1207 1.395,1208 1.788,1209 1.702,1210 0.936,1211 1.732,1212 1.45,1213 1.385,1214 1.614,1215 1.673,1216 0.683,1217 1.663,1218 1.212,1219 1.147,1220 1.567,1221 1.516,1222 0.567,1223 1.531,1224 1.153,1225 1.072,1226 1.489,1227 1.414,1228 0.557,1229 1.434,1230 1.058,1231 1.006,1232 1.346,1233 1.361,1234 0.519,1235 1.353,1236 4.205,1238 5.509,1240 7.013,1242 8.62,1244 10.287,1246 5.357,1250 11.749,1252 2.2,1254 16.279,1262 35.761,1263 93.664,1264 218.033,1265 296.743,1266 309.498,1267 311.498,1268 311.498,1269 64.255,1270 7.605,1271 135.47,1272 135.47,1273 18,1274 12.57,1275 4.248,1276 3.392,1277 58.141,1278 131,1279 173,1280 0.208,1281 223.232,1282 385.78,1283 536.445,1284 21638,1286 22.38,1287 0.722,1288 0.58,1289 22.38,1290 17.974,1291 14.922,1292 0.452,1293 0.305,1294 9.862,1295 14.145,1296 9.559,1297 7.965,1298 14.922,1299 10.05,1300 13.109,1301 0.291,1302 0.155,1303 13.109,1304 6.982,1305 10.674,1306 0.184,1307 0.084,1308 10.674,1309 4.871,1310 9.011,1311 0.12,1312 0.044,1313 9.011,1314 3.31,1315 6.77,1316 0.073,1317 0.023,1318 6.77,1319 2.132,1320 0.329,1321 94.891,1322 0.216,1323 29.286,1324 0.566,1325 156,1326 516.502,1327 176.448,1328 486.032,1329 659.35,1330 456,1331 181,1332 480.88,1333 199.291,1334 482.371,1335 702.5,1336 452,1337 7.032}
{0 CHEMBL191071,1 1.78,2 10.6,3 3.011,4 9.064,5 100.678,6 9.65,7 0.462,8 3.836,9 3.948,10 3.597,11 3.367,12 5.114,13 3.362,14 4.29,15 4.444,16 3.983,17 3.719,18 5.616,19 3.68,20 4.462,21 4.616,22 4.226,23 3.869,24 5.687,25 3.806,26 4.518,27 4.708,28 4.064,29 3.858,30 5.748,31 3.759,32 4.479,33 4.681,34 3.914,35 3.813,36 5.594,37 3.704,38 4.436,39 4.627,40 3.912,41 3.793,42 5.526,43 3.68,44 4.468,45 4.671,46 4.054,47 3.737,48 5.656,49 3.646,50 4.378,51 4.54,52 4.27,53 3.605,54 5.717,55 3.551,56 0.133,57 0.603,58 5.695,59 3.467,60 20.992,61 3.924,62 0.382,63 0.888,64 13.2,65 6.189,66 54.901,67 7.314,68 0.387,69 1.024,70 18.494,71 7.322,72 52.31,73 8.155,74 0.413,75 1.052,76 26.682,77 8.199,78 63.951,79 9.54,80 0.35,81 1,82 30.313,83 8.243,84 45.396,85 9.91,86 0.29,87 0.98,88 31.624,89 7.977,90 38.513,91 9.429,92 0.446,93 0.933,94 29.068,95 8.171,96 46.491,97 9.846,98 0.477,99 0.847,100 28.701,101 6.527,102 52.763,103 7.197,104 45,105 35,106 0.312,107 0.74,108 0.859,109 0.884,110 0.884,111 0.884,112 3.266,113 0.939,114 -4.25,115 -4.19,116 -3.96,117 1,119 40.5,121 3,124 1,138 2,139 2,140 3,141 2,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 9,167 1,169 1,170 4,172 3,173 4,175 2,178 10,179 1,180 1,182 6,187 2,189 11,190 1,191 1,193 6,195 1,196 1,197 1,198 3,200 2,201 8,202 1,204 2,205 1,207 7,212 4,215 7,216 1,218 3,221 4,226 3,229 6,230 1,231 2,233 2,234 4,236 1,237 1,239 4,241 3,242 2,243 3,246 6,247 1,251 5,254 1,255 2,256 3,259 1,260 4,262 1,263 2,265 4,269 1,270 2,273 979,274 16.37,275 16.37,276 16.37,277 16.37,278 16.37,279 14.258,280 20.433,281 9.735,282 16.832,283 12.75,284 12.75,285 12.75,286 12.75,287 12.75,288 9.546,289 24.958,290 4.565,291 13.484,292 3.613,293 1.173,294 0.494,295 0.351,296 0.351,297 0.351,298 3.927,301 1,302 1,303 536,304 3.536,307 180.287,314 1.744,315 29.856,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54.75,327 265,328 4.453,329 3.601,330 6.434,331 3.995,332 3.049,333 4.142,334 2.341,335 9.88,336 2.885,337 4.232,338 3.451,339 6.086,340 3.799,341 2.851,342 3.877,343 0.86,344 8.823,345 2.687,346 3.837,347 3.083,348 5.258,349 3.248,350 2.267,351 2.989,352 0.68,353 6.624,354 2.227,355 3.577,356 2.674,357 5.209,358 3.202,359 2.237,360 2.867,362 6.231,363 2.115,364 3.528,365 2.539,366 4.917,367 3.043,368 2.083,369 2.694,371 5.628,372 1.976,373 3.352,374 2.294,375 4.658,376 2.923,377 1.987,378 2.65,380 5.177,381 1.84,382 3.113,383 2.173,384 4.136,385 2.375,386 1.414,387 1.991,389 3.658,390 1.353,391 2.821,392 1.777,393 3.689,394 2.345,395 1.395,396 1.95,398 2.95,399 1.309,400 1.964,401 1.539,402 3.312,403 1.613,404 0.796,405 0.865,407 1.718,408 0.564,409 1.818,410 0.891,411 2.965,412 1.348,413 0.398,414 0.488,415 0.91,416 0.367,417 1.61,418 0.841,419 2.833,420 1.31,421 0.369,422 0.465,423 0.702,424 0.35,425 1.26,426 0.591,427 2.427,428 0.845,429 -0.025,430 -0.03,431 -0.049,432 -0.018,433 0.82,434 0.308,435 2.359,436 0.509,437 -0.48,438 -0.56,439 -1.227,440 -0.462,441 0.793,442 0.078,443 2.319,444 0.393,445 -0.515,446 -0.621,448 -1.243,449 -0.473,450 0.593,451 -0.272,452 2,453 0.228,454 -0.665,455 -0.793,457 -1.627,458 -0.542,459 12.433,460 0.497,461 0.685,462 0.027,463 32.5,464 1.3,465 17,466 0.68,467 15.5,468 0.62,469 21.179,470 0.847,471 26.567,472 0.633,473 23.08,474 0.923,475 6.44,476 0.258,477 5.461,478 0.218,479 0.265,481 0.322,485 0.954,486 1.131,487 0.517,488 0.781,489 0.931,490 0.793,491 0.679,492 0.796,493 0.585,494 0.734,495 0.457,496 0.787,497 1.035,498 1.111,499 0.924,500 0.971,501 1.067,502 1.004,503 0.923,504 0.924,505 1.171,506 1.036,507 0.861,508 1.072,509 0.799,510 1.023,511 1.226,512 1.105,513 0.515,514 1.077,515 0.745,516 1.155,517 1.523,518 1.324,519 0.628,520 1.233,521 0.769,522 1.047,523 1.149,524 1.029,525 0.545,526 0.94,527 1.144,528 1.381,529 1.412,530 1.474,531 1.085,532 1.231,533 6,534 0.07,535 2.667,536 1.938,537 1.498,538 0.611,539 0.69,540 0.464,541 0.317,542 0.224,543 6510,544 24921,545 1.928,546 40.5,547 4,548 5,550 1,551 5,552 2,555 1.683,556 1.765,557 3.36,558 2.647,559 1,560 1,564 74.749,565 1.78,566 4.219,567 4.898,568 5.041,569 5.041,570 5.041,571 2.889,572 4.404,573 4.609,574 3.542,575 1062.64,576 7.988,577 13196,579 1,581 1,582 226.477,583 1.541,584 4.546,585 0.231,586 0.005,587 0.076,588 0.054,589 0.047,590 0.02,591 0.024,592 0.015,593 0.012,594 0.012,595 0.496,597 1,598 1.714,599 121.501,600 -0.171,601 0.047,602 -0.012,603 0.072,604 -0.184,605 0.069,606 0.175,607 0.271,608 0.056,609 0.169,610 0.237,611 0.144,612 -0.148,613 -0.058,614 0.026,615 0.013,616 -0.212,617 -0.061,618 -0.114,619 0.095,620 -0.074,621 -0.014,622 -0.062,623 -0.085,624 -0.089,625 -0.042,626 -0.099,627 -0.056,628 0.018,629 -0.048,630 -0.089,631 -0.138,632 -0.177,633 -0.222,634 -0.102,635 -0.207,636 0.138,637 -0.116,638 0.019,639 0.028,640 0.141,641 0.091,642 0.012,643 -0.415,644 0.071,645 -0.36,646 -0.031,647 -0.257,648 2.543,649 3.562,650 0.48,651 24.499,652 1.019,653 1.128,654 3.019,655 9.114,656 0.692,657 3.296,658 3.584,659 3.761,660 3.951,661 4.143,662 4.143,663 4.234,664 4.29,665 4.317,666 4.29,667 6.33,668 0.665,669 405.28,670 3.296,671 4.812,672 5.624,673 6.479,674 7.314,675 8.174,676 9.021,677 9.885,678 10.74,679 11.606,680 9.5,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,717 1,718 42,719 14,720 1,721 26,722 1,723 43,724 17,725 10,726 4,727 2,729 2,730 2,739 3,740 2,741 11,742 4,744 1,748 1,751 1,754 1,757 17,758 7,759 5,760 8,761 1,764 4,769 1,770 3,776 1,781 2,788 2,792 1,800 1,802 2,805 1,806 1,810 25,811 2,815 1,816 3,818 1,823 1,827 2,828 1,829 7.1,831 1,832 1,834 1,836 14.167,837 7.743,838 5.667,839 2.198,840 2.919,841 1.437,842 0.939,843 6.77,844 9.602,845 3.584,846 4.159,847 4.659,848 5.19,849 5.737,850 5.909,851 6.243,852 6.594,853 6.912,854 7.206,855 1,856 36,857 9.134,859 3.721,860 8.063,861 16.818,863 12.902,865 2.563,866 64.083,869 1,870 141.253,871 103.54,872 145.32,874 78.828,877 149.494,878 220.081,879 99.365,880 10.883,881 7.604,882 84.747,883 114.08,884 37.903,885 38.288,886 129.482,887 45.954,888 141.253,889 202.905,890 78.828,892 45.954,893 141.253,894 78.828,897 18.55,898 116.723,899 67.632,900 45.954,901 141.253,902 178.194,903 149.494,906 141.253,907 30.596,908 38.883,909 80.015,910 178.194,911 141.253,912 178.194,913 149.494,915 0.573,916 0.319,917 0.162,918 0.088,919 14,920 8,921 0.116,922 5,924 1,925 3.62,926 190.299,928 12,929 116.096,933 19.198,934 8.817,935 5.432,937 178.194,938 5.336,939 7.908,943 4.127,945 108.478,946 468.941,947 35,951 10.562,954 -0.876,956 42.803,957 47.369,958 0.33,959 0.782,960 0.908,961 0.935,962 0.935,963 0.935,964 4.812,965 1.395,966 5.609,967 3.658,968 4.263,969 4.844,970 2.482,971 6.372,972 4.154,973 6.044,974 0.796,975 7.148,976 2.95,977 3.892,978 4.677,979 2.243,980 7.191,981 3.704,982 7.359,983 0.398,984 8.782,985 1.718,986 5.814,987 7.027,988 3.668,989 10.241,990 5.618,991 8.705,992 0.369,993 10.471,994 0.91,995 6.196,996 7.598,997 4.112,998 11.84,999 5.894,1000 10.073,1001 -0.025,1002 12.195,1003 0.702,1004 7.629,1005 9.468,1006 5.207,1007 14.431,1008 7.328,1009 11.459,1010 -0.48,1011 13.944,1012 -0.049,1013 8.373,1014 10.413,1015 5.889,1016 16.381,1017 7.966,1018 12.859,1019 -0.515,1020 15.711,1021 -1.227,1022 9.606,1023 12.063,1024 6.849,1025 18.792,1026 9.188,1027 3.049,1028 -0.665,1029 17.492,1030 -1.243,1031 10.53,1032 13.215,1033 7.625,1034 20.909,1035 10.019,1036 2.851,1037 9.88,1038 19.285,1039 -1.627,1040 11.679,1041 14.751,1042 8.526,1043 23.244,1044 11.141,1045 2.267,1046 8.823,1047 21.088,1048 4.142,1049 12.693,1050 16.018,1051 9.342,1052 25.441,1053 12.074,1054 2.237,1055 6.624,1056 22.898,1057 3.877,1058 13.809,1059 17.492,1060 10.216,1061 27.742,1062 13.151,1063 2.083,1064 6.231,1065 24.715,1066 2.989,1067 14.866,1068 18.823,1069 11.051,1070 29.979,1071 14.137,1072 1.987,1073 5.628,1074 26.537,1075 2.867,1076 15.97,1077 20.264,1078 11.912,1079 32.267,1080 15.194,1081 1.414,1082 5.177,1083 28.364,1084 2.694,1085 17.049,1086 21.63,1087 12.755,1088 34.524,1089 16.208,1090 6714,1091 13228,1092 16.414,1093 29.068,1094 38.996,1095 39.895,1096 39.761,1097 37.84,1098 37.693,1099 49.956,1100 7.762,1101 104.602,1102 35.344,1103 5.222,1104 5.601,1105 6.118,1106 5.064,1107 5.049,1108 7.142,1109 3.925,1110 16.814,1111 4.885,1112 15.941,1113 1.5,1114 1.534,1115 1.529,1116 1.455,1117 1.45,1118 1.921,1119 0.299,1120 4.023,1121 1.359,1122 3.996,1123 4.021,1124 6.88,1125 3.948,1126 7.474,1127 3.939,1128 3.819,1129 3.861,1130 3.91,1131 3.679,1132 6.351,1133 3.697,1134 3.659,1135 3.689,1136 3.746,1137 3.515,1138 5.291,1139 3.517,1140 3.301,1141 3.352,1142 3.561,1143 3.129,1144 4.979,1145 3.143,1146 3.277,1147 3.313,1148 3.235,1149 3.065,1150 4.909,1151 3.071,1152 3.105,1153 3.189,1154 3.128,1155 2.861,1156 4.638,1157 2.861,1158 2.983,1159 3.084,1160 2.95,1161 2.733,1162 4.455,1163 2.722,1164 2.821,1165 2.901,1166 2.794,1167 2.584,1168 4.252,1169 2.597,1170 0.171,1171 0.139,1172 0.247,1173 0.154,1174 0.117,1175 4.453,1176 0.159,1177 3.601,1178 0.09,1179 6.434,1180 0.38,1181 3.995,1182 0.111,1183 3.049,1184 4.142,1185 2.341,1186 9.88,1187 2.885,1188 1.952,1189 1.937,1190 2.018,1191 2.041,1192 1.221,1193 2.037,1194 1.751,1195 1.712,1196 1.858,1197 1.914,1198 1.072,1199 1.897,1200 1.616,1201 1.579,1202 1.773,1203 1.801,1204 0.876,1205 1.799,1206 1.223,1207 1.19,1208 1.572,1209 1.53,1210 0.573,1211 1.542,1212 1.212,1213 1.157,1214 1.375,1215 1.429,1216 0.392,1217 1.419,1218 1.032,1219 0.965,1220 1.258,1221 1.346,1222 0.227,1223 1.324,1224 0.889,1225 0.784,1226 1.2,1227 1.245,1228 0.101,1229 1.243,1230 0.754,1231 0.697,1232 1.052,1233 1.051,1235 1.065,1236 3.97,1238 5.263,1240 6.739,1242 8.31,1244 9.934,1245 3.456,1246 1.562,1250 11.39,1251 8.672,1252 0.757,1254 5.367,1261 5.823,1262 27.943,1263 74.749,1264 177.193,1265 205.722,1266 211.722,1267 211.722,1268 211.722,1269 54.971,1270 6.683,1271 124.35,1272 124.35,1273 12,1274 12.154,1275 3.907,1276 3.322,1277 51.55,1278 93,1279 100,1280 0.271,1281 183.787,1282 322.03,1283 440.199,1284 6212,1285 2.4,1286 18.397,1287 0.736,1288 0.605,1289 19.397,1290 15.13,1291 11.901,1292 0.458,1293 0.313,1294 7.27,1295 10.888,1296 7.023,1297 5.846,1298 12.478,1299 8.136,1300 10.695,1301 0.306,1302 0.17,1303 11.361,1304 5.964,1305 8.135,1306 0.194,1307 0.098,1308 9.078,1309 4.135,1310 6.344,1311 0.124,1312 0.051,1313 7.018,1314 2.604,1315 4.927,1316 0.079,1317 0.028,1318 5.43,1319 1.759,1320 0.424,1321 83.488,1322 0.247,1323 24.426,1324 0.744,1325 122,1326 426.19,1327 201.228,1328 449.149,1329 583.21,1330 414,1331 138,1332 384.917,1333 190.424,1334 405.577,1335 581.14,1336 377,1337 6.201}
{0 CHEMBL192835,1 1.584,2 13.677,3 4.043,4 16.343,5 119.73,6 7.492,7 0.515,8 4.112,9 4.234,10 3.66,11 3.626,12 5.314,13 3.616,14 4.605,15 4.781,16 3.993,17 3.99,18 5.82,19 3.95,20 4.802,21 4.989,22 4.064,23 4.141,24 5.899,25 4.087,26 4.902,27 5.104,28 4.044,29 4.173,30 6.021,31 4.09,32 4.953,33 5.191,34 3.921,35 4.15,36 5.993,37 4.047,38 4.884,39 5.128,40 3.875,41 4.077,42 5.925,43 3.973,44 4.754,45 4.973,46 3.841,47 4.02,48 5.794,49 3.924,50 4.769,51 5.006,52 3.793,53 3.964,54 5.803,55 3.861,56 0.083,57 0.821,58 11.287,59 4.791,60 18.609,61 6.215,62 0.373,63 1.25,64 20.64,65 8.37,66 57.345,67 11.111,68 0.276,69 1.488,70 25.473,71 9.654,72 50.972,73 13.142,74 0.414,75 1.607,76 28.89,77 10.967,78 64.528,79 14.927,80 0.424,81 1.633,82 31.762,83 10.566,84 73.456,85 15.24,86 0.413,87 1.46,88 30.3,89 10.701,90 69.459,91 15.201,92 0.222,93 1.346,94 25.19,95 9.726,96 44.201,97 13.62,98 0.405,99 1.332,100 26.466,101 9.296,102 51.581,103 13.438,104 47,105 45,106 0.259,107 0.662,108 0.843,109 0.88,110 0.88,111 0.88,112 3.471,113 0.903,114 -4.89,115 -4.8,116 -4.51,119 41.1,120 1,121 5,124 1,138 2,139 3,140 5,141 1,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 15,167 1,169 2,170 7,172 3,173 4,175 2,178 17,179 1,180 1,182 8,187 2,189 16,190 1,191 1,192 1,193 9,195 3,196 3,197 1,198 4,200 2,201 14,202 1,204 3,205 1,207 6,212 3,215 13,216 1,218 2,220 1,221 8,226 4,229 13,230 1,231 3,234 6,239 3,241 11,242 1,243 2,245 2,246 7,248 1,249 1,251 4,254 7,255 2,256 3,260 8,265 5,268 5,269 2,270 3,273 1888,274 20.646,275 20.646,276 20.646,277 20.646,278 20.646,279 18.006,280 23.732,281 12.319,282 21.057,283 16.227,284 16.227,285 16.227,286 16.227,287 16.227,288 12.181,289 26.86,290 5.806,291 16.802,292 4.223,293 1.755,294 0.648,295 0.42,296 0.42,297 0.42,298 4.152,301 1,302 1,303 885,304 3.937,307 281.485,311 146.7,314 2.204,315 33.759,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 67.5,327 424,328 4.658,329 3.596,330 6.838,331 4.194,332 3.219,333 4.617,334 2.341,335 11.245,336 3.143,337 4.315,338 3.358,339 6.206,340 3.891,341 2.915,342 3.958,343 0.86,344 9.303,345 2.846,346 3.962,347 3.179,348 5.769,349 3.474,350 2.512,351 3.406,352 0.68,353 7.764,354 2.422,355 3.845,356 2.841,357 5.252,358 3.258,359 2.275,360 3.125,362 6.639,363 2.231,364 3.549,365 2.677,366 5.097,367 3.228,368 2.229,369 2.861,371 5.914,372 2.198,373 3.453,374 2.323,375 5.01,376 2.978,377 2.043,378 2.71,380 5.795,381 1.904,382 3.381,383 2.232,384 4.659,385 2.899,386 1.976,387 2.699,389 5.184,390 1.819,391 3.206,392 2.061,393 4.43,394 2.672,395 1.673,396 2.094,398 4.186,399 1.666,400 2.877,401 1.879,402 4.15,403 2.5,404 1.533,405 2.01,407 3.435,408 1.477,409 2.69,410 1.505,411 3.739,412 2.255,413 1.3,414 1.76,415 3.375,416 1.238,417 2.522,418 1.45,419 3.236,420 2.064,421 1.068,422 1.367,423 2.204,424 1.058,425 1.883,426 1.135,427 3.191,428 1.602,429 0.68,430 0.783,431 1.348,432 0.619,433 1.651,434 0.717,435 2.887,436 1.339,437 0.376,438 0.459,439 0.878,440 0.359,441 1.587,442 0.649,443 2.822,444 1.213,445 0.253,446 0.31,448 0.482,449 0.242,450 1.202,451 0.48,452 2.679,453 0.839,454 -0.107,455 -0.132,457 -0.276,458 -0.1,459 14.5,460 0.468,461 0.788,462 0.025,463 40.5,464 1.306,465 21,466 0.677,467 19.5,468 0.629,469 26.657,470 0.86,471 33.5,472 0.598,473 31.976,474 1.031,475 7.98,476 0.257,477 6.904,478 0.223,479 0.17,481 0.345,485 0.927,486 1.201,487 0.831,488 1.023,489 0.893,490 0.92,491 0.623,492 0.872,493 0.751,494 0.92,495 0.422,496 0.878,497 0.967,498 1.152,499 0.956,500 1.047,501 0.953,502 1.009,503 0.86,504 1.087,505 1.046,506 1.146,507 0.773,508 1.144,509 0.956,510 0.989,511 1.135,512 1.027,513 0.946,514 1.082,515 0.832,516 0.896,517 0.933,518 0.946,519 0.759,520 0.956,521 0.715,522 1.15,523 0.944,524 1.155,525 0.48,526 1.104,527 0.663,528 1.026,529 0.963,530 1.063,531 0.547,532 1.064,533 6.5,534 0.206,535 3.111,536 2.313,537 2.022,538 0.903,539 0.69,540 0.448,541 0.403,542 0.265,543 13037,544 40038,545 1.993,546 44.6,547 11,548 6,550 1,551 5,552 2,555 1.735,556 1.842,557 3.675,558 2.381,560 1,564 88.709,565 1.584,566 4.053,567 5.16,568 5.388,569 5.388,570 5.388,571 3.244,572 4.761,573 4.916,574 3.895,575 1811.11,576 8.587,577 26738.6,579 1,582 325.212,583 1.492,584 4.869,585 0.197,586 0.008,587 0.069,588 0.048,589 0.045,590 0.023,591 0.018,592 0.012,593 0.012,594 0.008,595 0.441,597 1,598 1.832,599 163.589,600 -0.121,602 0.004,603 0.048,604 -0.134,605 0.053,606 0.223,607 0.212,608 0.152,609 0.126,610 0.258,611 0.117,612 -0.118,613 -0.088,614 -0.046,615 -0.013,616 -0.133,617 -0.018,618 -0.005,619 -0.051,620 -0.118,621 -0.126,622 -0.023,623 -0.152,624 -0.158,625 0.037,626 -0.181,627 -0.052,628 -0.174,629 -0.101,630 -0.017,631 0.059,632 0.035,633 0.064,634 -0.007,635 0.062,636 -0.016,637 -0.158,638 -0.02,639 -0.112,640 0.043,641 -0.075,642 0.107,643 -0.037,644 -0.008,645 -0.063,646 0.02,647 -0.058,648 2.442,649 3.559,650 0.516,651 38.398,652 1.006,653 1.13,654 3.665,655 13.43,656 0.661,657 3.526,658 3.829,659 4.06,660 4.317,661 4.533,662 4.625,663 4.691,664 4.804,665 4.942,666 4.956,667 7.845,668 0.634,669 419.53,670 3.526,671 5.056,672 5.889,673 6.76,674 7.616,675 8.498,676 9.366,677 10.255,678 11.131,679 12.024,680 8.9,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 1,718 56,719 19,720 1,721 33,723 58,724 23,725 13,726 3,727 3,729 3,730 4,734 1,739 5,740 2,741 14,742 7,744 1,748 1,751 1,754 1,757 25,758 8,759 5,760 8,764 5,769 0.667,770 3,775 1,776 1,781 3,785 1,788 2,792 1,800 1,802 2,806 2,810 31,811 2,815 1,816 5,818 1,823 1,827 2,829 5.4,831 1,832 1,834 1,836 16.833,837 10.633,838 6.972,839 3.249,840 4.204,841 1.553,842 0.954,843 7.41,844 11.81,845 3.818,846 4.431,847 5.017,848 5.626,849 6.212,850 6.563,851 6.95,852 7.34,853 7.768,854 8.013,855 1,856 48,857 11.381,859 4.704,860 7.909,861 21.389,863 16.91,865 2.409,866 74.667,868 1,869 1,870 235.422,871 131.329,872 116.151,874 78.828,877 131.329,878 314.25,879 116.151,880 19.708,881 12.673,882 94.223,883 130.866,884 42.321,885 38.288,886 223.651,888 235.422,889 247.48,890 78.828,893 237.137,894 78.828,897 32.444,898 128.903,899 84.418,901 235.422,902 194.979,903 131.329,906 235.422,907 40.084,908 57.184,909 34.061,910 194.979,911 235.422,912 194.979,913 131.329,915 0.573,916 0.325,917 0.175,918 0.093,919 19,920 10,921 0.121,922 7,923 1,924 1.125,925 4.204,926 264.822,927 0.125,928 16,929 153.58,933 22.49,934 10.213,935 5.697,936 1.17,937 194.979,938 7.567,939 12.617,943 4.928,945 108.478,946 561.73,947 44.5,951 10.559,954 -0.775,956 56.327,957 63.272,958 0.273,959 0.698,960 0.888,961 0.928,962 0.928,963 0.928,964 5.051,965 1.673,966 5.872,967 5.184,968 4.511,969 5.118,970 2.482,971 6.668,972 4.447,973 6.285,974 1.533,975 7.424,976 4.186,977 4.111,978 4.997,979 2.243,980 7.564,981 4.019,982 7.608,983 1.3,984 9.076,985 3.435,986 6.084,987 7.379,988 3.668,989 10.671,990 5.969,991 8.966,992 1.068,993 10.79,994 3.375,995 6.479,996 8.068,997 4.112,998 12.415,999 6.338,1000 10.352,1001 0.68,1002 12.545,1003 2.204,1004 7.943,1005 9.948,1006 5.207,1007 15.065,1008 7.783,1009 11.76,1010 0.376,1011 14.328,1012 1.348,1013 8.726,1014 11.047,1015 5.889,1016 17.182,1017 8.542,1018 13.186,1019 0.253,1020 16.135,1021 0.878,1022 9.987,1023 12.714,1024 6.849,1025 19.673,1026 9.784,1027 3.219,1028 -0.107,1029 17.96,1030 0.482,1031 10.964,1032 14.025,1033 7.625,1034 21.954,1035 10.737,1036 2.915,1037 11.245,1038 19.799,1039 -0.276,1040 12.146,1041 15.6,1042 8.526,1043 24.389,1044 11.899,1045 2.512,1046 9.303,1047 21.65,1048 4.617,1049 13.215,1050 17.019,1051 9.342,1052 26.742,1053 12.944,1054 2.275,1055 7.764,1056 23.512,1057 3.958,1058 14.371,1059 18.557,1060 10.216,1061 29.159,1062 14.078,1063 2.229,1064 6.639,1065 25.382,1066 3.406,1067 15.483,1068 20.028,1069 11.051,1070 31.544,1071 15.166,1072 2.043,1073 5.914,1074 27.259,1075 3.125,1076 16.632,1077 21.553,1078 11.912,1079 33.956,1080 16.293,1081 1.976,1082 5.795,1083 29.142,1084 2.861,1085 17.766,1086 23.05,1087 12.755,1088 36.357,1089 17.403,1090 12953,1091 22808,1092 21.383,1093 37.006,1094 49.4,1095 50.045,1096 50.203,1097 48.151,1098 48.105,1099 64.32,1100 7.762,1101 135.502,1102 46.444,1103 5.498,1104 5.596,1105 6.665,1106 5.269,1107 5.219,1108 7.617,1109 3.925,1110 18.52,1111 5.143,1112 18.666,1113 1.497,1114 1.517,1115 1.521,1116 1.459,1117 1.458,1118 1.949,1119 0.235,1120 4.106,1121 1.407,1122 4.086,1123 4.121,1124 4.059,1125 3.993,1126 7.474,1127 4.002,1128 3.925,1129 3.948,1130 3.884,1131 3.851,1132 6.351,1133 3.857,1134 3.736,1135 3.782,1136 3.613,1137 3.606,1138 5.321,1139 3.597,1140 3.526,1141 3.584,1142 3.461,1143 3.369,1144 4.982,1145 3.384,1146 3.451,1147 3.481,1148 3.371,1149 3.279,1150 4.921,1151 3.295,1152 3.253,1153 3.31,1154 3.102,1155 3.006,1156 4.796,1157 3.018,1158 3.18,1159 3.274,1160 3.052,1161 2.969,1162 4.655,1163 2.969,1164 3.086,1165 3.16,1166 2.949,1167 2.859,1168 4.253,1169 2.874,1170 0.141,1171 0.109,1172 0.207,1173 0.127,1174 0.098,1175 4.658,1176 0.14,1177 3.596,1178 0.071,1179 6.838,1180 0.341,1181 4.194,1182 0.095,1183 3.219,1184 4.617,1185 2.341,1186 11.245,1187 3.143,1188 2.019,1189 1.993,1190 2.09,1191 2.137,1192 1.294,1193 2.119,1194 1.9,1195 1.878,1196 1.995,1197 1.994,1198 1.275,1199 1.994,1200 1.726,1201 1.676,1202 1.936,1203 1.891,1204 1.076,1205 1.91,1206 1.471,1207 1.426,1208 1.632,1209 1.674,1210 0.81,1211 1.665,1212 1.392,1213 1.35,1214 1.601,1215 1.611,1216 0.68,1217 1.606,1218 1.194,1219 1.131,1220 1.56,1221 1.501,1222 0.574,1223 1.519,1224 1.17,1225 1.085,1226 1.496,1227 1.418,1228 0.558,1229 1.441,1230 1.026,1231 0.96,1232 1.268,1233 1.341,1234 0.265,1235 1.341,1236 4.205,1238 5.509,1240 7.008,1242 8.61,1244 10.274,1246 3.593,1250 11.733,1251 8.682,1252 2.805,1254 5.529,1261 6.259,1262 35.519,1263 88.709,1264 226.947,1265 288.947,1266 301.702,1267 301.702,1268 301.702,1269 65.298,1270 7.605,1271 137.24,1272 137.24,1273 18,1274 12.555,1275 4.322,1276 3.644,1277 58.429,1278 140,1279 176,1280 0.197,1281 222.973,1282 389.01,1283 535.814,1284 21850,1286 22.38,1287 0.722,1288 0.568,1289 22.38,1290 17.605,1291 14.884,1292 0.451,1293 0.301,1294 9.798,1295 14.317,1296 9.5,1297 7.939,1298 14.884,1299 9.935,1300 13.316,1301 0.296,1302 0.16,1303 13.316,1304 7.18,1305 10.462,1306 0.184,1307 0.087,1308 10.462,1309 4.971,1310 8.863,1311 0.12,1312 0.045,1313 8.863,1314 3.365,1315 6.741,1316 0.073,1317 0.023,1318 6.741,1319 2.146,1320 0.315,1321 93.424,1322 0.216,1323 29.596,1324 0.521,1325 156,1326 485.181,1327 171.466,1328 473.278,1329 638.43,1330 440,1331 180,1332 463.001,1333 193.308,1334 473.116,1335 682.53,1336 442,1337 8.398}
{0 CHEMBL19633,1 1.641,2 8.526,3 1.56,4 2.434,5 75.046,6 7.438,7 0.6,8 3.662,9 3.791,10 3.208,11 3.095,12 4.877,13 3.108,14 4.125,15 4.303,16 3.508,17 3.419,18 5.286,19 3.412,20 4.218,21 4.373,22 3.575,23 3.551,24 5.368,25 3.525,26 4.379,27 4.589,28 3.442,29 3.571,30 5.469,31 3.491,32 4.418,33 4.663,34 3.261,35 3.501,36 5.381,37 3.391,38 4.249,39 4.508,40 3.119,41 3.326,42 5.215,43 3.212,44 4.152,45 4.45,46 3.053,47 3.098,48 5.124,49 2.995,50 3.802,51 4.026,52 2.882,53 2.837,54 4.971,55 2.781,56 0.073,57 0.516,58 7.401,59 2.725,60 11.167,61 3.735,62 0.303,63 0.728,64 13.443,65 4.654,66 26.608,67 6.125,68 0.258,69 0.839,70 13.805,71 4.871,72 19.611,73 6.808,74 0.284,75 0.882,76 17.445,77 5.841,78 34.134,79 8.346,80 0.377,81 0.828,82 19.623,83 5.904,84 36.899,85 8.712,86 0.237,87 0.718,88 16.25,89 4.801,90 28.064,91 7.505,92 0.349,93 0.573,94 15.937,95 4.325,96 31.649,97 7.007,98 0.289,99 0.437,100 10.404,101 2.791,102 24.212,103 4.292,104 21,105 27,106 0.304,107 0.651,108 0.759,109 0.816,110 0.827,111 0.837,112 3.01,113 0.857,114 -2.99,115 -2.99,116 -2.88,119 37.1,121 1,124 2,139 3,140 2,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 4,172 3,173 3,175 1,178 5,180 1,181 1,182 6,187 1,189 4,191 1,193 5,195 1,196 1,197 1,198 2,200 2,201 1,204 2,205 1,207 6,212 3,218 3,221 3,226 2,231 2,233 2,236 1,237 1,239 2,243 2,245 2,248 1,249 1,251 1,256 1,262 1,263 1,273 409,274 12.757,275 12.757,276 12.757,277 12.757,278 12.757,279 11.204,280 19.002,281 7.439,282 13.281,283 9.72,284 9.72,285 9.72,286 9.72,287 9.72,288 7.344,289 25.456,290 3.35,291 10.377,292 3.489,293 1.622,294 1.036,295 0.729,296 0.672,297 0.615,298 3.665,300 1,301 1,302 1,303 331,304 2.449,307 128.291,314 1.235,315 17.197,317 1,318 1,319 1,320 1,321 1,323 1,324 1,325 0.86,326 42,327 162,328 4.305,329 3.235,330 6.181,331 3.91,332 2.946,333 3.954,334 0.86,335 9.196,336 2.846,337 4.195,338 3.058,339 6.072,340 3.762,341 2.817,342 3.839,343 0.86,344 8.771,345 2.66,346 3.591,347 2.537,348 5.246,349 3.222,350 2.273,351 2.921,352 0.68,353 6.625,354 2.151,355 3.362,356 2.203,357 4.915,358 2.939,359 1.999,360 2.661,362 5.631,363 1.868,364 2.919,365 2.142,366 4.367,367 2.521,368 1.609,369 2.057,371 4.126,372 1.461,373 2.823,374 1.566,375 4.125,376 2.351,377 1.417,378 1.952,380 3.648,381 1.319,382 1.948,383 1.112,384 3.148,385 1.64,386 0.734,387 0.864,389 1.418,390 0.658,391 1.61,392 0.936,393 2.944,394 1.318,395 0.414,396 0.473,398 0.814,399 0.369,400 1.438,401 0.626,402 2.53,403 1.159,404 0.282,405 0.32,407 0.422,408 0.248,409 0.957,410 0.088,411 2.359,412 0.625,413 -0.312,414 -0.375,415 -0.61,416 -0.289,417 0.796,418 -0.313,419 2.332,420 0.392,421 -0.515,422 -0.621,423 -1.242,424 -0.466,425 0.596,426 -0.317,427 2.121,428 0.193,429 -0.735,430 -0.878,431 -1.705,432 -0.67,433 0.412,434 -0.692,435 1.685,436 0.045,437 -0.923,438 -1.217,439 -2.51,440 -0.883,441 0.039,442 -0.991,443 1.375,444 -0.306,445 -1.243,446 -1.586,448 -3.387,449 -1.155,450 -0.23,451 -1.271,452 1.19,453 -0.584,454 -1.502,455 -1.886,457 -4.042,458 -1.377,459 8.767,460 0.461,461 0.451,462 0.024,463 26.5,464 1.395,465 14,466 0.737,467 12.5,468 0.658,469 11.799,470 0.621,471 21.233,472 0.607,473 17.925,474 0.943,475 5.569,476 0.293,477 3.566,478 0.188,479 0.205,481 0.342,485 1.046,486 1.353,487 0.836,488 1.147,489 1.237,490 0.963,491 1.194,492 0.741,493 0.798,494 0.772,495 0.754,496 0.739,497 0.965,498 1.328,499 1.025,500 1.237,501 0.883,502 1.152,503 0.981,504 1.097,505 1.151,506 1.25,507 0.985,508 1.237,509 1.211,510 0.987,511 1.127,512 1.001,513 1.082,514 1.056,515 0.855,516 1.142,517 1.036,518 1.141,519 0.992,520 1.12,521 0.57,522 0.808,523 0.615,524 0.771,525 0.525,526 0.716,527 1.012,528 1.165,529 1.007,530 1.108,531 0.96,532 1.082,533 4.5,534 0.029,535 2.222,536 1.25,537 1.227,538 0.417,539 0.384,540 0.28,541 0.132,542 0.097,543 3008,544 9290,545 1.965,546 45.7,547 2,548 9,550 1,551 4,555 1.602,556 1.81,557 3.089,558 2.038,560 1,562 1,564 57.419,565 1.641,566 3.508,567 4.093,568 4.4,569 4.458,570 4.515,571 2.505,572 4.248,573 4.22,574 3.183,575 544.244,576 7.184,577 5359.04,578 1,579 1,581 1,582 179.525,583 1.509,584 4.159,585 0.225,586 0.01,587 0.082,588 0.045,589 0.053,590 0.022,591 0.024,592 0.019,593 0.011,594 0.014,595 0.504,596 0.33,597 1,598 1.039,599 82.542,600 -0.143,601 -0.095,602 0.019,603 -0.047,604 -0.259,605 0.021,606 -0.023,607 0.338,608 0.151,609 0.271,610 0.142,611 0.234,612 -0.009,613 -0.165,614 -0.141,615 -0.162,616 -0.063,617 -0.169,618 -0.094,619 -0.048,620 -0.229,621 -0.231,622 -0.071,623 -0.253,624 -0.203,625 -0.075,626 -0.149,627 -0.011,628 -0.178,629 -0.067,630 -0.076,631 -0.195,632 -0.08,633 -0.168,634 -0.113,635 -0.128,636 0.325,637 0.003,638 0.415,639 0.159,640 0.377,641 0.282,642 0.217,643 -0.224,644 0.001,645 -0.174,646 0.178,647 -0.149,648 1.492,649 1.809,650 0.632,651 13.186,652 1.01,653 1.14,654 1.757,655 3.086,656 0.643,657 3.045,658 3.332,659 3.555,660 3.738,661 3.912,662 3.829,663 3.829,664 3.871,665 3.85,666 3.738,667 5.009,668 0.619,669 260.33,670 3.045,671 4.554,672 5.38,673 6.236,674 7.079,675 7.937,676 8.785,677 9.643,678 10.494,679 11.351,680 11.4,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 2,718 35,719 12,720 1,721 20,723 36,724 13,725 10,726 3,727 3,729 2,730 2,739 1,741 10,742 3,753 1,754 1,757 16,758 6,759 4,760 6,764 4,769 1,770 2,776 1,781 2,802 2,806 2,810 19,811 2,816 1,818 2,829 5.7,834 2,836 10.5,837 6.733,838 4.389,839 1.703,840 2.254,841 1.366,842 0.953,843 4.193,844 8.422,845 3.296,846 3.892,847 4.425,848 4.929,849 5.442,850 5.479,851 5.657,852 6.008,853 6.324,854 6.561,855 0.833,856 28,857 6.919,859 2.766,860 7.842,861 12.93,863 9.812,865 2.342,866 44.5,867 0.001,870 141.253,871 82.862,872 99.365,874 22,877 82.862,878 163.253,879 99.365,880 21.766,881 2.535,882 94.223,883 45.342,884 47.905,885 4.227,886 129.482,888 141.253,889 182.227,890 22,893 141.253,894 22,897 13.481,898 135.175,899 33.571,901 141.253,902 121.365,903 82.862,906 141.253,907 23.62,908 59.242,910 121.365,911 141.253,912 121.365,913 82.862,915 0.571,916 0.343,917 0.18,918 0.094,919 12,920 6,921 0.111,922 4,924 1,925 3.08,926 131.608,928 12,929 80.711,933 13.584,934 5.864,935 3.131,937 121.365,938 7.322,939 7.878,943 3.776,945 65.794,946 345.48,947 26,956 35.363,957 39.903,958 0.32,959 0.684,960 0.798,961 0.858,962 0.869,963 0.88,964 4.5,965 0.414,966 5.361,967 1.418,968 4.007,969 4.575,970 1.586,971 6.133,972 3.893,973 5.709,974 0.282,975 6.905,976 0.814,977 3.611,978 4.407,980 6.969,981 3.461,982 7.014,983 -0.312,984 8.542,985 0.422,986 5.572,987 6.768,988 1.285,989 9.992,990 5.373,991 8.353,992 -0.515,993 10.231,994 -0.61,995 5.943,996 7.341,998 11.585,999 5.697,1000 9.718,1001 -0.735,1002 11.951,1003 -1.242,1004 7.391,1005 9.208,1006 1.035,1007 14.124,1008 7.115,1009 11.101,1010 -0.923,1011 13.693,1012 -1.705,1013 8.12,1014 10.135,1016 16.043,1017 7.793,1018 12.497,1019 -1.243,1020 15.45,1021 -2.51,1022 9.352,1023 11.777,1024 0.828,1025 18.393,1026 8.999,1027 2.946,1028 -1.502,1029 17.219,1030 -3.387,1031 10.256,1032 12.892,1034 20.462,1035 9.852,1036 2.817,1037 9.196,1038 18.995,1039 -4.042,1040 11.393,1041 14.415,1042 0.656,1043 22.731,1044 10.962,1045 2.273,1046 8.771,1047 20.779,1048 3.954,1049 12.38,1050 15.635,1052 24.871,1053 11.902,1054 1.999,1055 6.625,1056 22.569,1057 3.839,1058 13.476,1059 17.091,1060 0.515,1061 27.104,1062 12.967,1063 1.609,1064 5.631,1065 24.362,1066 2.921,1067 14.503,1068 18.372,1070 29.276,1071 13.951,1072 1.417,1073 4.126,1074 26.159,1075 2.661,1076 15.582,1077 19.79,1078 0.401,1079 31.493,1080 14.997,1081 0.734,1082 3.648,1083 27.96,1084 2.057,1085 16.629,1086 21.105,1088 33.682,1089 16.003,1090 3112,1091 5550,1092 12.83,1093 22.5,1094 28.981,1095 29.79,1096 30.798,1097 28.903,1098 28.981,1099 38.082,1100 4.8,1101 81.3,1102 27.157,1103 5.072,1104 5.235,1105 5.735,1106 4.979,1107 4.946,1108 6.954,1109 1.72,1110 15.554,1111 4.846,1112 10.623,1113 1.449,1114 1.489,1115 1.54,1116 1.445,1117 1.449,1118 1.904,1119 0.24,1120 4.065,1121 1.358,1122 3.981,1123 4.011,1124 3.933,1125 3.891,1126 5.291,1127 3.896,1128 3.806,1129 3.848,1130 3.77,1131 3.645,1132 4.98,1133 3.67,1134 3.318,1135 3.378,1136 3.193,1137 3.079,1138 4.925,1139 3.1,1140 3.247,1141 3.314,1142 3.051,1143 2.952,1144 4.496,1145 2.96,1146 3.118,1147 3.224,1148 2.957,1149 2.856,1150 4.459,1151 2.862,1152 2.971,1153 3.091,1154 2.794,1155 2.668,1156 4.288,1157 2.679,1158 2.798,1159 2.893,1160 2.617,1161 2.611,1162 3.747,1163 2.606,1164 2.735,1165 2.821,1166 2.526,1167 2.527,1168 3.649,1169 2.526,1170 0.215,1171 0.162,1172 0.309,1173 0.196,1174 0.147,1175 4.305,1176 0.198,1177 3.235,1178 0.043,1179 6.181,1180 0.46,1181 3.91,1182 0.142,1183 2.946,1184 3.954,1185 0.86,1186 9.196,1187 2.846,1188 1.932,1189 1.91,1190 2.029,1191 2.047,1192 1.206,1193 2.04,1194 1.728,1195 1.688,1196 1.815,1197 1.918,1198 0.869,1199 1.891,1200 1.248,1201 1.187,1202 1.576,1203 1.539,1204 0.575,1205 1.549,1206 1.191,1207 1.115,1208 1.571,1209 1.523,1210 0.572,1211 1.539,1212 1.073,1213 0.98,1214 1.36,1215 1.388,1216 0.372,1217 1.386,1218 0.891,1219 0.777,1220 1.226,1221 1.261,1222 0.151,1223 1.272,1224 0.801,1225 0.72,1226 1.101,1227 1.055,1229 1.078,1230 0.721,1231 0.63,1232 1.045,1233 0.969,1235 1.004,1236 3.714,1238 5.004,1240 6.5,1242 8.087,1244 9.718,1246 3.2,1250 11.274,1252 0.604,1254 10.446,1262 21.676,1263 57.419,1264 122.77,1265 143.26,1266 154.015,1267 156.015,1268 158.015,1269 25.953,1270 6.168,1271 96.28,1272 96.28,1273 12,1274 11.905,1275 3.7,1276 2.807,1277 33.693,1278 57,1279 52,1280 0.299,1281 138.289,1282 232.68,1283 329.186,1284 3088,1286 13.828,1287 0.728,1288 0.573,1289 13.828,1290 10.882,1291 9.135,1292 0.457,1293 0.286,1294 5.581,1295 8.622,1296 5.38,1297 4.539,1298 9.135,1299 5.715,1300 7.907,1301 0.293,1302 0.148,1303 7.907,1304 4.005,1305 6.542,1306 0.192,1307 0.081,1308 6.542,1309 2.759,1310 5.182,1311 0.126,1312 0.043,1313 5.182,1314 1.781,1315 3.998,1316 0.082,1317 0.024,1318 3.998,1319 1.177,1320 0.462,1321 58.478,1322 0.279,1323 18.97,1324 0.839,1325 94,1326 311.386,1327 105.807,1328 296.992,1329 402.1,1330 278,1331 108,1332 292.063,1333 119.419,1334 299.107,1335 428.02,1336 276,1337 4.108}
{0 CHEMBL2114205,1 1.623,2 11.742,3 4.556,4 20.756,5 129.603,6 7.719,7 0.545,8 4.129,9 4.268,10 3.708,11 3.643,12 5.298,13 3.619,14 4.614,15 4.801,16 4.056,17 4.01,18 5.719,19 3.958,20 4.867,21 5.089,22 4.203,23 4.155,24 5.935,25 4.097,26 4.916,27 5.126,28 4.197,29 4.187,30 6.043,31 4.119,32 5.044,33 5.285,34 4.158,35 4.222,36 6.128,37 4.139,38 5.083,39 5.345,40 4.148,41 4.23,42 6.104,43 4.111,44 4.995,45 5.249,46 4.211,47 4.166,48 6.074,49 4.041,50 4.836,51 5.062,52 4.044,53 4.053,54 5.962,55 3.922,56 0.119,57 0.875,58 11.603,59 4.727,60 17.948,61 6.447,62 0.251,63 1.309,64 21.17,65 7.991,66 32.558,67 11.127,68 0.41,69 1.576,70 30.861,71 8.935,72 44.337,73 13.32,74 0.396,75 1.686,76 31.518,77 9.399,78 53.582,79 14.002,80 0.51,81 1.814,82 35.533,83 10,84 67.485,85 15.381,86 0.498,87 1.724,88 39.89,89 12.237,90 72.575,91 17.91,92 0.554,93 1.462,94 42.573,95 12.116,96 73.548,97 17.212,98 0.581,99 1.229,100 41.059,101 11.006,102 71.03,103 14.625,104 42,105 45,106 0.266,107 0.633,108 0.782,109 0.868,110 0.876,111 0.876,112 3.472,113 0.943,114 -5.16,115 -5.06,116 -4.73,119 38.6,120 2,121 1,125 2,127 1,139 8,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 11,169 2,170 6,172 3,173 3,175 1,178 13,180 1,182 11,185 1,187 1,189 11,191 1,193 17,195 1,196 2,197 1,198 5,200 2,201 6,204 5,205 1,207 13,210 1,212 6,215 5,218 4,220 2,221 6,223 1,224 1,226 4,229 3,231 2,233 2,234 5,236 1,237 1,239 5,241 9,243 2,245 2,246 2,248 2,249 2,251 4,254 13,260 1,262 1,263 1,265 3,268 11,270 1,273 1650,274 20.861,275 20.861,276 20.861,277 20.861,278 20.861,279 18.462,280 24.161,281 12.4,282 21.307,283 16.154,284 16.154,285 16.154,286 16.154,287 16.154,288 12.544,289 31.322,290 5.678,291 16.949,292 4.21,293 1.967,294 1.057,295 0.531,296 0.483,297 0.483,298 4.151,299 1,301 1,302 1,303 760,304 3.873,307 339.074,314 1.655,315 29.493,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 66.833,327 364,328 4.535,329 3.289,330 6.77,331 4.146,332 3.172,333 4.257,334 0.657,335 11.076,336 3.094,337 4.198,338 3.256,339 6.389,340 3.931,341 2.963,342 3.816,344 9.66,345 2.871,346 4.118,347 3.105,348 6.045,349 3.712,350 2.779,351 3.567,353 8.662,354 2.571,355 3.634,356 2.393,357 5.305,358 3.227,359 2.273,360 3.013,362 6.626,363 2.182,364 3.517,365 2.385,366 5.237,367 3.163,368 2.218,369 2.719,371 6.356,372 2.061,373 3.3,374 2.226,375 5.038,376 2.932,377 1.985,378 2.549,380 5.702,381 1.876,382 3.119,383 1.973,384 4.756,385 2.685,386 1.734,387 2.34,389 4.932,390 1.645,391 3.013,392 1.82,393 4.249,394 2.559,395 1.595,396 2.172,398 3.991,399 1.531,400 2.839,401 1.703,402 3.914,403 2.442,404 1.498,405 1.95,407 3.335,408 1.361,409 2.5,410 1.42,411 3.373,412 2.053,413 1.108,414 1.5,415 2.136,416 1.038,417 2.393,418 1,419 3.329,420 2,421 1,422 1.245,423 2.095,424 1,425 2.184,426 0.873,427 3.285,428 1.815,429 0.823,430 1.118,431 1.94,432 0.814,433 1.752,434 0.798,435 3.247,436 1.547,437 0.58,438 0.655,439 1.145,440 0.549,441 1.508,442 0.584,443 2.773,444 1.26,445 0.335,446 0.385,448 0.646,449 0.298,450 1.36,451 0.382,452 2.733,453 1.023,454 0.102,455 0.122,457 0.2,458 0.089,459 14.848,460 0.479,461 0.733,462 0.024,463 40.25,464 1.298,465 21,466 0.677,467 19.25,468 0.621,469 28.046,470 0.905,471 33.752,472 0.592,473 32.452,474 1.047,475 7.925,476 0.256,477 7.014,478 0.226,479 0.192,481 0.33,485 0.874,486 1.171,487 0.713,488 0.95,489 1.073,490 0.915,491 0.721,492 1.089,493 0.701,494 0.95,495 0.678,496 0.92,497 1.039,498 1.122,499 0.869,500 0.86,501 0.851,502 0.851,503 0.936,504 1.332,505 1.004,506 1.162,507 0.734,508 1.12,509 1.114,510 1.157,511 0.905,512 0.995,513 1.068,514 1.046,515 0.994,516 0.95,517 0.854,518 0.905,519 1.044,520 0.945,521 0.954,522 0.881,523 1.108,524 1.008,525 0.943,526 0.946,527 1.381,528 0.807,529 1.767,530 1.203,531 1.332,532 1.106,533 6,534 0.244,535 3.778,536 2.875,537 1.849,538 1.083,539 0.851,540 0.517,541 0.403,542 0.272,543 12035,544 34127,545 1.993,546 45.6,547 3,548 13,551 5,552 2,553 3,555 1.74,556 1.842,557 3.508,558 2.413,564 92.504,565 1.623,566 3.866,567 4.776,568 5.302,569 5.35,570 5.35,571 2.889,572 4.632,573 4.929,574 3.67,575 1706.71,576 8.625,577 24495.9,579 1,582 332.475,583 1.492,584 4.869,585 0.182,586 0.008,587 0.084,588 0.058,589 0.038,590 0.024,591 0.02,592 0.013,593 0.012,594 0.009,595 0.445,597 1,598 1.033,599 160.987,600 -0.026,601 0.088,602 0.006,603 0.066,604 -0.183,605 0.044,606 0.123,607 0.048,608 0.097,609 0.055,610 0.088,611 0.058,612 -0.059,613 -0.036,614 0.059,615 0.1,616 -0.038,617 0.099,618 -0.007,619 -0.214,620 -0.106,621 -0.206,622 0.05,623 -0.178,624 -0.134,625 -0.085,626 -0.1,627 -0.091,628 -0.116,629 -0.123,630 -0.029,631 0.008,632 0.067,633 0.056,634 -0.052,635 0.035,636 0.139,637 0.023,638 0.148,639 0.039,640 0.119,641 0.074,642 -0.023,643 0.099,644 -0.173,645 -0.085,646 -0.043,647 -0.076,648 1.552,649 3.48,650 0.581,651 29.201,652 1.004,653 1.137,654 3.933,655 15.467,656 0.666,657 3.526,658 3.829,659 4.094,660 4.331,661 4.511,662 4.533,663 4.595,664 4.615,665 4.654,666 4.673,667 6.992,668 0.631,669 440,670 3.526,671 5.056,672 5.9,673 6.772,674 7.634,675 8.512,676 9.381,677 10.262,678 11.133,679 12.016,680 12.3,684 2,687 1,690 2,692 2,695 8,696 2,700 8,702 18,711 2,717 1,718 57,719 19,720 2,721 33,723 59,724 22,725 16,726 4,727 8,729 3,730 3,731 1,734 3,739 2,741 16,742 6,744 1,750 2,757 26,758 8,759 5,760 9,761 1,764 7,769 1,770 1,771 1,776 1,781 3,800 1,802 3,806 2,807 1,810 31,811 2,815 1,816 3,820 1,821 1,828 1,829 1.8,830 1,836 16.833,837 10.51,838 7.083,839 3.396,840 3.705,841 1.506,842 0.945,843 7.798,844 11.031,845 3.784,846 4.363,847 4.936,848 5.498,849 6.022,850 6.236,851 6.58,852 6.908,853 7.249,854 7.531,855 0.875,856 50,857 11.384,859 4.697,860 7.799,861 21.501,863 17.003,865 2.299,866 71.278,869 1,870 247.193,871 120.898,872 135.571,873 39.149,874 42.683,877 120.898,878 329.025,879 135.571,880 17.65,881 7.642,882 184.288,883 33.571,884 18.571,885 37.431,886 247.193,887 39.149,888 247.193,889 256.469,890 42.683,891 39.149,893 211.88,894 35.313,895 42.683,897 29.948,898 159.746,899 105.923,901 247.193,902 178.254,903 160.047,906 247.193,907 27.438,908 96.462,910 214.401,911 247.193,912 178.254,913 160.047,915 0.571,916 0.344,917 0.191,918 0.103,919 19,920 10,921 0.136,922 8,924 1,925 4.073,926 272.015,928 18,929 149.58,933 22.947,934 10.535,935 5.501,937 178.254,938 15.261,939 8.387,943 4.643,945 108.478,946 585.494,947 43,953 8.728,956 57.2,957 64.794,958 0.278,959 0.663,960 0.819,961 0.909,962 0.917,963 0.917,964 5.007,965 1.595,966 5.883,967 4.932,968 4.511,969 5.05,970 0.623,971 6.696,972 4.421,973 6.21,974 1.498,975 7.448,976 3.991,977 4.111,978 4.796,980 7.627,981 3.945,982 7.51,983 1.108,984 9.116,985 3.335,986 6.103,987 7.219,988 0.317,989 10.733,990 5.939,991 8.847,992 1,993 10.845,994 2.136,995 6.524,996 7.769,998 12.495,999 6.298,1000 10.215,1001 0.823,1002 12.612,1003 2.095,1004 7.987,1005 9.67,1006 0.149,1007 15.124,1008 7.758,1009 11.606,1010 0.58,1011 14.406,1012 1.94,1013 8.786,1014 10.619,1016 17.235,1017 8.51,1018 13.015,1019 0.335,1020 16.22,1021 1.145,1022 10.04,1023 12.283,1024 0.067,1025 19.699,1026 9.754,1027 3.172,1028 0.102,1029 18.048,1030 0.646,1031 11.016,1032 13.447,1034 21.962,1035 10.694,1036 2.963,1037 11.076,1038 19.888,1039 0.2,1040 12.187,1041 14.992,1042 0.03,1043 24.369,1044 11.85,1045 2.779,1046 9.66,1047 21.737,1048 4.257,1049 13.244,1050 16.276,1052 26.699,1053 12.878,1054 2.273,1055 8.662,1056 23.594,1057 3.816,1058 14.384,1059 17.761,1060 0.013,1061 29.088,1062 14,1063 2.218,1064 6.626,1065 25.458,1066 3.567,1067 15.479,1068 19.111,1070 31.449,1071 15.071,1072 1.985,1073 6.356,1074 27.326,1075 3.013,1076 16.61,1077 20.568,1078 0.006,1079 33.836,1080 16.182,1081 1.734,1082 5.702,1083 29.199,1084 2.719,1085 17.724,1086 21.955,1088 36.213,1089 17.272,1090 11889,1091 20190,1092 21.383,1093 37.966,1094 48.85,1095 49.163,1096 51.065,1097 48.537,1098 48.335,1099 62.813,1100 1.315,1101 137.004,1102 45.961,1103 5.375,1104 5.289,1105 6.572,1106 5.217,1107 5.172,1108 7.257,1109 1.315,1110 17.964,1111 5.094,1112 17.988,1113 1.48,1114 1.49,1115 1.547,1116 1.471,1117 1.465,1118 1.903,1119 0.04,1120 4.152,1121 1.393,1122 4.022,1123 4.058,1124 4.057,1125 3.941,1126 6.456,1127 3.945,1128 3.928,1129 3.964,1130 3.86,1131 3.861,1132 5.287,1133 3.855,1134 3.766,1135 3.814,1136 3.824,1137 3.629,1138 5.039,1139 3.643,1140 3.611,1141 3.677,1142 3.512,1143 3.406,1144 4.975,1145 3.416,1146 3.392,1147 3.485,1148 3.291,1149 3.193,1150 4.77,1151 3.185,1152 3.321,1153 3.394,1154 3.204,1155 3.133,1156 4.686,1157 3.119,1158 3.132,1159 3.231,1160 3.134,1161 2.903,1162 4.465,1163 2.926,1164 3.056,1165 3.159,1166 3.017,1167 2.811,1168 4.223,1169 2.826,1170 0.137,1171 0.1,1172 0.205,1173 0.126,1174 0.096,1175 4.535,1176 0.129,1177 3.289,1178 0.02,1179 6.77,1180 0.336,1181 4.146,1182 0.094,1183 3.172,1184 4.257,1185 0.657,1186 11.076,1187 3.094,1188 1.959,1189 1.935,1190 2.055,1191 2.067,1192 1.225,1193 2.057,1194 1.923,1195 1.893,1196 2.022,1197 2.023,1198 1.188,1199 2.031,1200 1.707,1201 1.664,1202 1.852,1203 1.873,1204 1.006,1205 1.865,1206 1.562,1207 1.494,1208 1.797,1209 1.786,1210 0.991,1211 1.793,1212 1.381,1213 1.296,1214 1.651,1215 1.633,1216 0.796,1217 1.652,1218 1.323,1219 1.25,1220 1.615,1221 1.559,1222 0.596,1223 1.591,1224 1.021,1225 0.948,1226 1.267,1227 1.377,1228 0.239,1229 1.357,1230 0.959,1231 0.884,1232 1.181,1233 1.292,1234 0.218,1235 1.254,1236 4.205,1238 5.509,1240 7.018,1242 8.623,1244 10.277,1246 3.973,1247 6.375,1250 11.869,1251 9.48,1252 0.92,1256 -0.077,1257 1.719,1262 35.96,1263 92.504,1264 220.369,1265 272.21,1266 302.21,1267 304.965,1268 304.965,1269 65.164,1270 7.326,1271 126.01,1272 126.01,1273 18,1274 12.552,1275 4.322,1276 3.459,1277 58.067,1278 130,1279 124,1280 0.215,1281 230.237,1282 393.98,1283 553.538,1284 14825,1285 1.8,1286 22.38,1287 0.722,1288 0.59,1289 22.88,1290 18.289,1291 14.939,1292 0.453,1293 0.314,1294 9.907,1295 14.13,1296 9.602,1297 8.011,1298 15.228,1299 10.378,1300 12.993,1301 0.289,1302 0.164,1303 13.364,1304 7.378,1305 10.857,1306 0.184,1307 0.089,1308 11.237,1309 5.244,1310 9.033,1311 0.12,1312 0.046,1313 9.267,1314 3.444,1315 6.986,1316 0.078,1317 0.025,1318 7.229,1319 2.216,1320 0.338,1321 96.394,1322 0.216,1323 29.023,1324 0.591,1325 156,1326 447.203,1327 185.253,1328 472.47,1329 640.44,1330 440,1331 182,1332 459.161,1333 207.771,1334 474.471,1335 688.43,1336 447,1337 5.186}
{0 CHEMBL2115210,1 1.623,2 11.742,3 4.556,4 20.756,5 129.603,6 7.719,7 0.545,8 4.129,9 4.268,10 3.708,11 3.643,12 5.298,13 3.619,14 4.614,15 4.801,16 4.056,17 4.01,18 5.719,19 3.958,20 4.867,21 5.089,22 4.203,23 4.155,24 5.935,25 4.097,26 4.916,27 5.126,28 4.197,29 4.187,30 6.043,31 4.119,32 5.044,33 5.285,34 4.158,35 4.222,36 6.128,37 4.139,38 5.083,39 5.345,40 4.148,41 4.23,42 6.104,43 4.111,44 4.995,45 5.249,46 4.211,47 4.166,48 6.074,49 4.041,50 4.836,51 5.062,52 4.044,53 4.053,54 5.962,55 3.922,56 0.119,57 0.875,58 11.603,59 4.727,60 17.948,61 6.447,62 0.251,63 1.309,64 21.17,65 7.991,66 32.558,67 11.127,68 0.41,69 1.576,70 30.861,71 8.935,72 44.337,73 13.32,74 0.396,75 1.686,76 31.518,77 9.399,78 53.582,79 14.002,80 0.51,81 1.814,82 35.533,83 10,84 67.485,85 15.381,86 0.498,87 1.724,88 39.89,89 12.237,90 72.575,91 17.91,92 0.554,93 1.462,94 42.573,95 12.116,96 73.548,97 17.212,98 0.581,99 1.229,100 41.059,101 11.006,102 71.03,103 14.625,104 42,105 45,106 0.266,107 0.633,108 0.782,109 0.868,110 0.876,111 0.876,112 3.472,113 0.943,114 -5.16,115 -5.06,116 -4.73,119 38.6,120 2,121 1,125 2,127 1,139 8,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 11,169 2,170 6,172 3,173 3,175 1,178 13,180 1,182 11,185 1,187 1,189 11,191 1,193 17,195 1,196 2,197 1,198 5,200 2,201 6,204 5,205 1,207 13,210 1,212 6,215 5,218 4,220 2,221 6,223 1,224 1,226 4,229 3,231 2,233 2,234 5,236 1,237 1,239 5,241 9,243 2,245 2,246 2,248 2,249 2,251 4,254 13,260 1,262 1,263 1,265 3,268 11,270 1,273 1650,274 20.861,275 20.861,276 20.861,277 20.861,278 20.861,279 18.462,280 24.161,281 12.4,282 21.307,283 16.154,284 16.154,285 16.154,286 16.154,287 16.154,288 12.544,289 31.322,290 5.678,291 16.949,292 4.21,293 1.967,294 1.057,295 0.531,296 0.483,297 0.483,298 4.151,299 1,301 1,302 1,303 760,304 3.873,307 339.074,314 1.655,315 29.493,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 66.833,327 364,328 4.535,329 3.289,330 6.77,331 4.146,332 3.172,333 4.257,334 0.657,335 11.076,336 3.094,337 4.198,338 3.256,339 6.389,340 3.931,341 2.963,342 3.816,344 9.66,345 2.871,346 4.118,347 3.105,348 6.045,349 3.712,350 2.779,351 3.567,353 8.662,354 2.571,355 3.634,356 2.393,357 5.305,358 3.227,359 2.273,360 3.013,362 6.626,363 2.182,364 3.517,365 2.385,366 5.237,367 3.163,368 2.218,369 2.719,371 6.356,372 2.061,373 3.3,374 2.226,375 5.038,376 2.932,377 1.985,378 2.549,380 5.702,381 1.876,382 3.119,383 1.973,384 4.756,385 2.685,386 1.734,387 2.34,389 4.932,390 1.645,391 3.013,392 1.82,393 4.249,394 2.559,395 1.595,396 2.172,398 3.991,399 1.531,400 2.839,401 1.703,402 3.914,403 2.442,404 1.498,405 1.95,407 3.335,408 1.361,409 2.5,410 1.42,411 3.373,412 2.053,413 1.108,414 1.5,415 2.136,416 1.038,417 2.393,418 1,419 3.329,420 2,421 1,422 1.245,423 2.095,424 1,425 2.184,426 0.873,427 3.285,428 1.815,429 0.823,430 1.118,431 1.94,432 0.814,433 1.752,434 0.798,435 3.247,436 1.547,437 0.58,438 0.655,439 1.145,440 0.549,441 1.508,442 0.584,443 2.773,444 1.26,445 0.335,446 0.385,448 0.646,449 0.298,450 1.36,451 0.382,452 2.733,453 1.023,454 0.102,455 0.122,457 0.2,458 0.089,459 14.848,460 0.479,461 0.733,462 0.024,463 40.25,464 1.298,465 21,466 0.677,467 19.25,468 0.621,469 28.046,470 0.905,471 33.752,472 0.592,473 32.452,474 1.047,475 7.925,476 0.256,477 7.014,478 0.226,479 0.192,481 0.33,485 0.874,486 1.171,487 0.713,488 0.95,489 1.073,490 0.915,491 0.721,492 1.089,493 0.701,494 0.95,495 0.678,496 0.92,497 1.039,498 1.122,499 0.869,500 0.86,501 0.851,502 0.851,503 0.936,504 1.332,505 1.004,506 1.162,507 0.734,508 1.12,509 1.114,510 1.157,511 0.905,512 0.995,513 1.068,514 1.046,515 0.994,516 0.95,517 0.854,518 0.905,519 1.044,520 0.945,521 0.954,522 0.881,523 1.108,524 1.008,525 0.943,526 0.946,527 1.381,528 0.807,529 1.767,530 1.203,531 1.332,532 1.106,533 6,534 0.244,535 3.778,536 2.875,537 1.849,538 1.083,539 0.851,540 0.517,541 0.403,542 0.272,543 12035,544 34127,545 1.993,546 45.6,547 3,548 13,551 5,552 2,553 3,555 1.74,556 1.842,557 3.508,558 2.413,564 92.504,565 1.623,566 3.866,567 4.776,568 5.302,569 5.35,570 5.35,571 2.889,572 4.632,573 4.929,574 3.67,575 1706.71,576 8.625,577 24495.9,579 1,582 332.475,583 1.492,584 4.869,585 0.182,586 0.008,587 0.084,588 0.058,589 0.038,590 0.024,591 0.02,592 0.013,593 0.012,594 0.009,595 0.445,597 1,598 1.033,599 160.987,600 -0.026,601 0.088,602 0.006,603 0.066,604 -0.183,605 0.044,606 0.123,607 0.048,608 0.097,609 0.055,610 0.088,611 0.058,612 -0.059,613 -0.036,614 0.059,615 0.1,616 -0.038,617 0.099,618 -0.007,619 -0.214,620 -0.106,621 -0.206,622 0.05,623 -0.178,624 -0.134,625 -0.085,626 -0.1,627 -0.091,628 -0.116,629 -0.123,630 -0.029,631 0.008,632 0.067,633 0.056,634 -0.052,635 0.035,636 0.139,637 0.023,638 0.148,639 0.039,640 0.119,641 0.074,642 -0.023,643 0.099,644 -0.173,645 -0.085,646 -0.043,647 -0.076,648 1.552,649 3.48,650 0.581,651 29.201,652 1.004,653 1.137,654 3.933,655 15.467,656 0.666,657 3.526,658 3.829,659 4.094,660 4.331,661 4.511,662 4.533,663 4.595,664 4.615,665 4.654,666 4.673,667 6.992,668 0.631,669 440,670 3.526,671 5.056,672 5.9,673 6.772,674 7.634,675 8.512,676 9.381,677 10.262,678 11.133,679 12.016,680 12.3,684 2,687 1,690 2,692 2,695 8,696 2,700 8,702 18,711 2,717 1,718 57,719 19,720 2,721 33,723 59,724 22,725 16,726 4,727 8,729 3,730 3,731 1,734 3,739 2,741 16,742 6,744 1,750 2,757 26,758 8,759 5,760 9,761 1,764 7,769 1,770 1,771 1,776 1,781 3,800 1,802 3,806 2,807 1,810 31,811 2,815 1,816 3,820 1,821 1,828 1,829 1.8,830 1,836 16.833,837 10.51,838 7.083,839 3.396,840 3.705,841 1.506,842 0.945,843 7.798,844 11.031,845 3.784,846 4.363,847 4.936,848 5.498,849 6.022,850 6.236,851 6.58,852 6.908,853 7.249,854 7.531,855 0.875,856 50,857 11.384,859 4.697,860 7.799,861 21.501,863 17.003,865 2.299,866 71.278,869 1,870 247.193,871 120.898,872 135.571,873 39.149,874 42.683,877 120.898,878 329.025,879 135.571,880 17.65,881 7.642,882 184.288,883 33.571,884 18.571,885 37.431,886 247.193,887 39.149,888 247.193,889 256.469,890 42.683,891 39.149,893 211.88,894 35.313,895 42.683,897 29.948,898 159.746,899 105.923,901 247.193,902 178.254,903 160.047,906 247.193,907 27.438,908 96.462,910 214.401,911 247.193,912 178.254,913 160.047,915 0.571,916 0.344,917 0.191,918 0.103,919 19,920 10,921 0.136,922 8,924 1,925 4.073,926 272.015,928 18,929 149.58,933 22.947,934 10.535,935 5.501,937 178.254,938 15.261,939 8.387,943 4.643,945 108.478,946 585.494,947 43,953 8.728,956 57.2,957 64.794,958 0.278,959 0.663,960 0.819,961 0.909,962 0.917,963 0.917,964 5.007,965 1.595,966 5.883,967 4.932,968 4.511,969 5.05,970 0.623,971 6.696,972 4.421,973 6.21,974 1.498,975 7.448,976 3.991,977 4.111,978 4.796,980 7.627,981 3.945,982 7.51,983 1.108,984 9.116,985 3.335,986 6.103,987 7.219,988 0.317,989 10.733,990 5.939,991 8.847,992 1,993 10.845,994 2.136,995 6.524,996 7.769,998 12.495,999 6.298,1000 10.215,1001 0.823,1002 12.612,1003 2.095,1004 7.987,1005 9.67,1006 0.149,1007 15.124,1008 7.758,1009 11.606,1010 0.58,1011 14.406,1012 1.94,1013 8.786,1014 10.619,1016 17.235,1017 8.51,1018 13.015,1019 0.335,1020 16.22,1021 1.145,1022 10.04,1023 12.283,1024 0.067,1025 19.699,1026 9.754,1027 3.172,1028 0.102,1029 18.048,1030 0.646,1031 11.016,1032 13.447,1034 21.962,1035 10.694,1036 2.963,1037 11.076,1038 19.888,1039 0.2,1040 12.187,1041 14.992,1042 0.03,1043 24.369,1044 11.85,1045 2.779,1046 9.66,1047 21.737,1048 4.257,1049 13.244,1050 16.276,1052 26.699,1053 12.878,1054 2.273,1055 8.662,1056 23.594,1057 3.816,1058 14.384,1059 17.761,1060 0.013,1061 29.088,1062 14,1063 2.218,1064 6.626,1065 25.458,1066 3.567,1067 15.479,1068 19.111,1070 31.449,1071 15.071,1072 1.985,1073 6.356,1074 27.326,1075 3.013,1076 16.61,1077 20.568,1078 0.006,1079 33.836,1080 16.182,1081 1.734,1082 5.702,1083 29.199,1084 2.719,1085 17.724,1086 21.955,1088 36.213,1089 17.272,1090 11889,1091 20190,1092 21.383,1093 37.966,1094 48.85,1095 49.163,1096 51.065,1097 48.537,1098 48.335,1099 62.813,1100 1.315,1101 137.004,1102 45.961,1103 5.375,1104 5.289,1105 6.572,1106 5.217,1107 5.172,1108 7.257,1109 1.315,1110 17.964,1111 5.094,1112 17.988,1113 1.48,1114 1.49,1115 1.547,1116 1.471,1117 1.465,1118 1.903,1119 0.04,1120 4.152,1121 1.393,1122 4.022,1123 4.058,1124 4.057,1125 3.941,1126 6.456,1127 3.945,1128 3.928,1129 3.964,1130 3.86,1131 3.861,1132 5.287,1133 3.855,1134 3.766,1135 3.814,1136 3.824,1137 3.629,1138 5.039,1139 3.643,1140 3.611,1141 3.677,1142 3.512,1143 3.406,1144 4.975,1145 3.416,1146 3.392,1147 3.485,1148 3.291,1149 3.193,1150 4.77,1151 3.185,1152 3.321,1153 3.394,1154 3.204,1155 3.133,1156 4.686,1157 3.119,1158 3.132,1159 3.231,1160 3.134,1161 2.903,1162 4.465,1163 2.926,1164 3.056,1165 3.159,1166 3.017,1167 2.811,1168 4.223,1169 2.826,1170 0.137,1171 0.1,1172 0.205,1173 0.126,1174 0.096,1175 4.535,1176 0.129,1177 3.289,1178 0.02,1179 6.77,1180 0.336,1181 4.146,1182 0.094,1183 3.172,1184 4.257,1185 0.657,1186 11.076,1187 3.094,1188 1.959,1189 1.935,1190 2.055,1191 2.067,1192 1.225,1193 2.057,1194 1.923,1195 1.893,1196 2.022,1197 2.023,1198 1.188,1199 2.031,1200 1.707,1201 1.664,1202 1.852,1203 1.873,1204 1.006,1205 1.865,1206 1.562,1207 1.494,1208 1.797,1209 1.786,1210 0.991,1211 1.793,1212 1.381,1213 1.296,1214 1.651,1215 1.633,1216 0.796,1217 1.652,1218 1.323,1219 1.25,1220 1.615,1221 1.559,1222 0.596,1223 1.591,1224 1.021,1225 0.948,1226 1.267,1227 1.377,1228 0.239,1229 1.357,1230 0.959,1231 0.884,1232 1.181,1233 1.292,1234 0.218,1235 1.254,1236 4.205,1238 5.509,1240 7.018,1242 8.623,1244 10.277,1246 3.973,1247 6.375,1250 11.869,1251 9.48,1252 0.92,1256 -0.077,1257 1.719,1262 35.96,1263 92.504,1264 220.369,1265 272.21,1266 302.21,1267 304.965,1268 304.965,1269 65.164,1270 7.326,1271 126.01,1272 126.01,1273 18,1274 12.552,1275 4.322,1276 3.459,1277 58.067,1278 130,1279 124,1280 0.215,1281 230.237,1282 393.98,1283 553.538,1284 14825,1285 1.8,1286 22.38,1287 0.722,1288 0.59,1289 22.88,1290 18.289,1291 14.939,1292 0.453,1293 0.314,1294 9.907,1295 14.13,1296 9.602,1297 8.011,1298 15.228,1299 10.378,1300 12.993,1301 0.289,1302 0.164,1303 13.364,1304 7.378,1305 10.857,1306 0.184,1307 0.089,1308 11.237,1309 5.244,1310 9.033,1311 0.12,1312 0.046,1313 9.267,1314 3.444,1315 6.986,1316 0.078,1317 0.025,1318 7.229,1319 2.216,1320 0.338,1321 96.394,1322 0.216,1323 29.023,1324 0.591,1325 156,1326 447.203,1327 185.253,1328 472.47,1329 640.44,1330 440,1331 182,1332 459.161,1333 207.771,1334 474.471,1335 688.43,1336 447,1337 5.191}
{0 CHEMBL22,1 1.667,2 8.619,3 1.544,4 2.383,5 81.509,6 7.445,7 0.545,8 3.772,9 3.895,10 3.316,11 3.168,12 4.989,13 3.191,14 4.249,15 4.427,16 3.617,17 3.486,18 5.398,19 3.497,20 4.309,21 4.441,22 3.743,23 3.643,24 5.494,25 3.64,26 4.514,27 4.701,28 3.703,29 3.712,30 5.646,31 3.665,32 4.627,33 4.838,34 3.538,35 3.693,36 5.637,37 3.622,38 4.519,39 4.747,40 3.369,41 3.591,42 5.494,43 3.485,44 4.519,45 4.826,46 3.351,47 3.413,48 5.466,49 3.286,50 4.158,51 4.401,52 3.155,53 3.137,54 5.268,55 3.071,56 0.1,57 0.555,58 8.338,59 3.061,60 12.148,61 4.164,62 0.416,63 0.774,64 15.719,65 5.068,66 32.106,67 6.628,68 0.385,69 0.907,70 15.043,71 5.332,72 22.16,73 7.316,74 0.413,75 0.993,76 19.746,77 6.687,78 37.403,79 9.384,80 0.626,81 0.974,82 24.257,83 6.972,84 48.02,85 9.79,86 0.415,87 0.905,88 21.155,89 6.373,90 36.662,91 9.49,92 0.601,93 0.768,94 23.618,95 6.414,96 48.443,97 10.468,98 0.403,99 0.6,100 15.289,101 3.887,102 32.458,103 6.246,104 35,105 30,106 0.302,107 0.618,108 0.706,109 0.737,110 0.75,111 0.789,112 3.103,113 0.851,114 -2.49,115 -2.52,116 -2.46,119 35.9,121 1,124 3,139 2,140 2,141 3,142 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 4,172 3,173 3,175 1,178 4,180 1,181 2,182 6,187 1,189 2,191 1,192 1,193 7,195 1,196 1,197 1,198 2,200 2,204 2,205 1,207 7,212 3,218 3,221 1,226 1,231 1,233 4,236 2,237 2,239 2,243 2,245 2,248 1,249 1,262 2,263 2,273 548,274 14.127,275 14.127,276 14.127,277 14.127,278 14.127,279 12.574,280 21.921,281 8.17,282 14.817,283 10.642,284 10.642,285 10.642,286 10.642,287 10.642,288 8.164,289 30.152,290 3.589,291 11.467,292 3.618,293 1.874,294 1.386,295 1.212,296 1.142,297 0.93,298 3.759,300 1,301 1,302 1,303 367,304 2.739,307 144.113,314 1.197,315 21.329,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 47,327 181,328 4.429,329 3.387,330 6.525,331 4.024,332 3.072,333 4.113,334 0.86,335 10.267,336 2.926,337 4.228,338 3.077,339 6.088,340 3.809,341 2.856,342 3.875,343 0.86,344 8.842,345 2.72,346 3.599,347 2.555,348 5.281,349 3.23,350 2.278,351 2.933,352 0.86,353 6.714,354 2.165,355 3.362,356 2.537,357 5.19,358 2.972,359 2.061,360 2.662,361 0.68,362 6.118,363 1.868,364 3.355,365 2.182,366 4.921,367 2.939,368 1.999,369 2.604,371 5.65,372 1.867,373 2.823,374 1.949,375 4.146,376 2.353,377 1.422,378 1.952,380 3.672,381 1.32,382 2.204,383 1.549,384 3.769,385 1.97,386 1.142,387 1.189,389 2.394,390 0.941,391 1.618,392 1.029,393 3.009,394 1.335,395 0.423,396 0.481,398 0.887,399 0.38,400 1.576,401 0.916,402 2.859,403 1.27,404 0.396,405 0.452,407 0.603,408 0.342,409 1.394,410 0.626,411 2.491,412 1.131,413 0.268,414 0.298,415 0.375,416 0.231,417 0.957,418 0.16,419 2.359,420 0.628,421 -0.304,422 -0.362,423 -0.593,424 -0.279,425 0.796,426 -0.305,427 2.305,428 0.392,429 -0.514,430 -0.621,431 -1.242,432 -0.466,433 0.65,434 -0.314,435 2.294,436 0.24,437 -0.694,438 -0.878,439 -1.641,440 -0.637,441 0.454,442 -0.339,443 1.853,444 0.151,445 -0.767,446 -0.878,448 -1.764,449 -0.693,450 0.051,451 -0.886,452 1.377,453 -0.279,454 -1.205,455 -1.472,457 -3.189,458 -1.104,459 9.6,460 0.457,461 0.503,462 0.024,463 28.5,464 1.357,465 14.5,466 0.69,467 14,468 0.667,469 14.403,470 0.686,471 24,472 0.615,473 20.761,474 0.989,475 6.068,476 0.289,477 4.015,478 0.191,479 0.24,481 0.365,485 1.031,486 1.441,487 0.827,488 1.251,489 1.196,490 1.014,491 1.319,492 0.686,493 0.792,494 0.683,495 0.863,496 0.649,497 0.897,498 1.355,499 0.96,500 1.247,501 0.869,502 1.129,503 0.882,504 1.171,505 1.047,506 1.309,507 0.88,508 1.224,509 1.559,510 0.983,511 1.272,512 1,513 1.26,514 1.083,515 1.086,516 1.217,517 1.228,518 1.278,519 1.118,520 1.29,521 0.388,522 0.747,523 0.531,524 0.757,525 0.327,526 0.701,527 0.928,528 1.206,529 0.942,530 1.073,531 0.911,532 1.032,533 5,534 0.029,535 2.444,536 1.813,537 1.538,538 0.59,539 0.507,540 0.326,541 0.189,542 0.133,543 3742,544 11896,545 1.941,546 46.2,547 2,548 11,550 1,551 4,555 1.635,556 1.775,557 3.08,558 1.968,559 1,560 1,562 1,564 65.014,565 1.667,566 3.412,567 3.9,568 4.073,569 4.144,570 4.356,571 2.475,572 3.916,573 4.365,574 3.198,575 671.503,576 7.494,577 7089.8,578 1,579 1,581 1,582 206.131,583 1.545,584 4.294,585 0.227,586 0.007,587 0.081,588 0.055,589 0.051,590 0.024,591 0.025,592 0.016,593 0.012,594 0.015,595 0.514,596 0.33,597 1,598 1.103,599 94.117,600 -0.134,601 -0.158,602 0.029,603 -0.112,604 -0.233,605 -0.007,606 -0.106,607 0.377,608 0.18,609 0.355,610 0.084,611 0.322,612 0.087,613 -0.135,614 -0.08,615 -0.127,616 -0.028,617 -0.129,618 0.029,619 -0.075,620 -0.133,621 -0.251,622 0.025,623 -0.226,624 -0.336,625 -0.045,626 -0.278,627 -0.004,628 -0.281,629 -0.118,630 -0.18,631 -0.239,632 -0.28,633 -0.27,634 -0.244,635 -0.296,636 0.419,637 0.031,638 0.492,639 0.176,640 0.502,641 0.316,642 0.107,643 -0.284,644 0.06,645 -0.141,646 0.136,647 -0.078,648 1.513,649 1.848,650 0.571,651 15.138,652 1.015,653 1.142,654 1.261,655 1.591,656 0.634,657 3.135,658 3.434,659 3.689,660 3.912,661 4.078,662 4.025,663 4.06,664 4.078,665 4.078,666 3.97,667 5.126,668 0.613,669 290.36,670 3.135,671 4.654,672 5.493,673 6.365,674 7.222,675 8.096,676 8.959,677 9.833,678 10.698,679 11.573,680 10.3,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 3,718 39,719 12,720 1,721 22,723 40,724 14,725 10,726 4,727 2,729 2,730 2,739 1,741 10,742 4,753 1,754 1,757 18,758 7,759 4,760 7,764 4,769 1,770 3,776 1,781 2,802 2,806 3,810 21,811 2,816 1,818 3,829 7.7,834 3,836 11.833,837 7.817,838 4.917,839 1.863,840 2.252,841 1.354,842 0.937,843 4.957,844 8.619,845 3.367,846 3.97,847 4.527,848 5.056,849 5.554,850 5.657,851 5.856,852 6.165,853 6.499,854 6.738,855 0.833,856 33,857 7.654,859 3.05,860 7.865,861 14.24,863 10.704,865 2.365,866 49.667,870 164.795,871 89.512,872 99.365,874 33,877 89.512,878 197.795,879 99.365,880 32.649,881 2.535,882 84.747,883 45.342,884 64.149,885 4.227,886 153.024,888 164.795,889 188.878,890 33,893 164.795,894 33,897 13.481,898 141.825,899 33.571,901 164.795,902 132.365,903 89.512,906 164.795,907 28.863,908 60.649,910 132.365,911 164.795,912 132.365,913 89.512,915 0.569,916 0.353,917 0.195,918 0.103,919 13,920 7,921 0.125,922 5,924 1,925 3.183,926 154.489,928 12,929 84.239,933 15.505,934 6.714,935 3.416,937 132.365,938 5.329,939 7.9,943 3.939,945 65.794,946 386.673,947 28,956 39.574,957 44.528,958 0.315,959 0.646,960 0.738,961 0.771,962 0.784,963 0.824,964 4.585,965 0.423,966 5.485,967 2.394,968 4.111,969 4.654,970 1.85,971 6.293,972 3.981,973 5.801,974 0.396,975 7.05,976 0.887,977 3.761,978 4.559,980 7.209,981 3.601,982 7.118,983 0.268,984 8.711,985 0.603,986 5.707,987 6.872,988 1.55,989 10.267,990 5.484,991 8.471,992 -0.304,993 10.425,994 0.375,995 6.133,996 7.524,998 11.957,999 5.866,1000 9.851,1001 -0.514,1002 12.173,1003 -0.593,1004 7.57,1005 9.351,1006 1.288,1007 14.547,1008 7.262,1009 11.249,1010 -0.694,1011 13.944,1012 -1.242,1013 8.356,1014 10.355,1016 16.577,1017 7.994,1018 12.662,1019 -0.767,1020 15.731,1021 -1.641,1022 9.591,1023 11.973,1024 1.06,1025 18.997,1026 9.194,1027 3.072,1028 -1.205,1029 17.531,1030 -1.764,1031 10.548,1032 13.159,1034 21.181,1035 10.094,1036 2.856,1037 10.267,1038 19.342,1039 -3.189,1040 11.701,1041 14.673,1042 0.863,1043 23.535,1044 11.21,1045 2.278,1046 8.842,1047 21.162,1048 4.113,1049 12.737,1050 15.956,1052 25.79,1053 12.191,1054 2.061,1055 6.714,1056 22.988,1057 3.875,1058 13.859,1059 17.417,1060 0.694,1061 28.12,1062 13.272,1063 1.999,1064 6.118,1065 24.821,1066 2.933,1067 14.932,1068 18.752,1070 30.408,1071 14.292,1072 1.422,1073 5.65,1074 26.659,1075 2.662,1076 16.042,1077 20.185,1078 0.551,1079 32.73,1080 15.359,1081 1.142,1082 3.672,1083 28.501,1084 2.604,1085 17.133,1086 21.549,1088 35.034,1089 16.398,1090 3895,1091 7033,1092 13.929,1093 24.716,1094 31.721,1095 32.96,1096 34.484,1097 31.702,1098 31.834,1099 41.12,1100 6.52,1101 91.044,1102 29.52,1103 5.201,1104 5.387,1105 6.067,1106 5.093,1107 5.072,1108 7.113,1109 1.72,1110 17.188,1111 4.926,1112 12.628,1113 1.442,1114 1.498,1115 1.567,1116 1.441,1117 1.447,1118 1.869,1119 0.296,1120 4.138,1121 1.342,1122 3.988,1123 4.014,1124 3.947,1125 3.892,1126 5.291,1127 3.901,1128 3.813,1129 3.851,1130 3.781,1131 3.646,1132 4.983,1133 3.673,1134 3.32,1135 3.38,1136 3.197,1137 3.086,1138 4.964,1139 3.107,1140 3.303,1141 3.355,1142 3.144,1143 3.006,1144 4.58,1145 3.026,1146 3.209,1147 3.287,1148 2.99,1149 2.901,1150 4.473,1151 2.902,1152 3.092,1153 3.205,1154 2.921,1155 2.82,1156 4.444,1157 2.827,1158 2.951,1159 3.07,1160 2.77,1161 2.631,1162 4.182,1163 2.653,1164 2.752,1165 2.858,1166 2.543,1167 2.562,1168 3.745,1169 2.537,1170 0.201,1171 0.154,1172 0.297,1173 0.183,1174 0.14,1175 4.429,1176 0.187,1177 3.387,1178 0.039,1179 6.525,1180 0.467,1181 4.024,1182 0.133,1183 3.072,1184 4.113,1185 0.86,1186 10.267,1187 2.926,1188 1.928,1189 1.911,1190 2.015,1191 2.049,1192 1.208,1193 2.037,1194 1.727,1195 1.69,1196 1.808,1197 1.924,1198 0.868,1199 1.891,1200 1.251,1201 1.19,1202 1.59,1203 1.558,1204 0.584,1205 1.565,1206 1.227,1207 1.163,1208 1.574,1209 1.539,1210 0.573,1211 1.549,1212 1.164,1213 1.077,1214 1.552,1215 1.494,1216 0.561,1217 1.515,1218 1.04,1219 0.943,1220 1.333,1221 1.373,1222 0.354,1223 1.37,1224 0.876,1225 0.755,1226 1.217,1227 1.239,1228 0.09,1229 1.253,1230 0.727,1231 0.661,1232 1.056,1233 1.027,1235 1.048,1236 3.807,1238 5.106,1240 6.616,1242 8.225,1244 9.883,1246 4.704,1250 11.339,1252 0.531,1254 15.925,1262 23.918,1263 65.014,1264 133.057,1265 152.092,1266 158.846,1267 161.601,1268 169.866,1269 33.017,1270 6.366,1271 105.51,1272 105.51,1273 12,1274 12.114,1275 3.7,1276 2.807,1277 39.145,1278 64,1279 64,1280 0.308,1281 151.878,1282 258.77,1283 362.342,1284 3874,1286 15.405,1287 0.734,1288 0.582,1289 15.405,1290 12.213,1291 10.083,1292 0.458,1293 0.284,1294 6.068,1295 9.422,1296 5.823,1297 4.927,1298 10.083,1299 6.244,1300 8.637,1301 0.288,1302 0.145,1303 8.637,1304 4.349,1305 7.249,1306 0.186,1307 0.078,1308 7.249,1309 3.036,1310 5.991,1311 0.122,1312 0.041,1313 5.991,1314 2.028,1315 4.639,1316 0.08,1317 0.023,1318 4.639,1319 1.358,1320 0.47,1321 65.285,1322 0.268,1323 20.556,1324 0.879,1325 104,1326 367.121,1327 118.686,1328 343.327,1329 463.13,1330 322,1331 121,1332 333.608,1333 135.852,1334 340.877,1335 489.99,1336 313,1337 4.469}
{0 CHEMBL22434,1 1.608,2 10.208,3 2.74,4 7.509,5 95.882,6 8.801,7 0.815,8 3.774,9 3.893,10 3.533,11 3.411,12 4.986,13 3.381,14 4.219,15 4.36,16 3.905,17 3.794,18 5.432,19 3.733,20 4.411,21 4.586,22 4.01,23 3.901,24 5.565,25 3.819,26 4.396,27 4.582,28 3.883,29 3.846,30 5.534,31 3.716,32 4.349,33 4.56,34 3.616,35 3.714,36 5.383,37 3.571,38 4.276,39 4.522,40 3.492,41 3.536,42 5.257,43 3.407,44 4.096,45 4.342,46 3.351,47 3.415,48 5.056,49 3.31,50 3.915,51 4.11,52 3.359,53 3.305,54 5.065,55 3.262,56 0.054,57 0.635,58 6.124,59 2.965,60 10.596,61 3.307,62 0.168,63 0.999,64 12.733,65 5.612,66 18.929,67 6.365,68 0.24,69 1.193,70 16.476,71 6.494,72 24.407,73 7.372,74 0.237,75 1.149,76 19.111,77 7.47,78 28.619,79 8.484,80 0.186,81 1.04,82 18.544,83 6.99,84 26.972,85 8.032,86 0.224,87 0.946,88 18.336,89 5.941,90 27.917,91 7.442,92 0.124,93 0.765,94 15.747,95 5.665,96 17.456,97 7.145,98 0.111,99 0.69,100 9.037,101 3.341,102 15.535,103 4.152,104 5,105 38,106 0.282,107 0.618,108 0.74,109 0.831,110 0.874,111 0.893,112 3.228,113 0.927,114 -4.75,115 -4.66,116 -4.38,119 44.7,125 1,139 7,140 2,141 1,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 9,169 2,172 3,173 3,178 13,181 3,182 1,184 1,185 1,189 12,192 1,193 1,195 3,196 3,197 1,200 2,201 8,205 1,207 2,209 1,210 1,215 3,221 7,226 1,231 1,234 6,246 8,251 3,256 3,260 7,265 3,270 3,273 722,274 16.447,275 16.447,276 16.447,277 16.447,278 16.447,279 13.824,280 11.604,281 9.694,282 16.91,283 13.353,284 13.353,285 13.353,286 13.353,287 13.353,288 9.446,289 12.011,290 4.613,291 14.143,292 3.639,293 1.728,294 1.031,295 0.513,296 0.263,297 0.158,298 3.932,300 1,301 1,302 1,303 544,304 2.449,307 226.72,311 193.163,314 1.458,315 17.674,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 51,327 245,328 4.542,329 4.458,330 6.508,331 4.025,332 3.081,333 4.491,334 3.272,335 10.202,336 2.96,337 4.492,338 3.191,339 6.5,340 4.001,341 3.028,342 4.429,344 10.168,345 2.896,346 3.777,347 3.032,348 5.339,349 3.355,350 2.423,351 3.237,353 6.929,354 2.255,355 3.509,356 2.597,357 5.172,358 3.043,359 2.117,360 2.906,362 6.198,363 1.951,364 3.427,365 2.266,366 5.062,367 2.953,368 2.023,369 2.811,371 5.8,372 1.874,373 3.358,374 2.096,375 4.966,376 2.869,377 1.941,378 2.686,380 5.732,381 1.793,382 3.118,383 1.889,384 4.167,385 2.618,386 1.618,387 2.427,389 3.801,390 1.618,391 2.77,392 1.618,393 3.71,394 2.272,395 1.277,396 1.904,398 2.853,399 1.27,400 2.458,401 1.316,402 3.601,403 1.962,404 1.041,405 1.441,407 2.565,408 0.942,409 2.41,410 1.176,411 3.419,412 1.911,413 1,414 1.376,415 2.369,416 0.908,417 1.881,418 1.057,419 3.125,420 1.49,421 0.592,422 0.745,423 1.402,424 0.521,425 1.391,426 0.386,427 2.733,428 0.935,429 0.034,430 0.045,431 0.086,432 0.031,433 1.028,434 0.225,435 2.569,436 0.569,437 -0.366,438 -0.485,439 -0.925,440 -0.335,441 0.951,442 -0.293,443 2.448,444 0.455,445 -0.459,446 -0.59,448 -1.169,449 -0.417,450 0.882,451 -0.488,452 2.301,453 0.382,454 -0.618,455 -0.927,457 -1.478,458 -0.618,459 11.733,460 0.489,461 0.554,462 0.023,463 37.5,464 1.563,465 21.5,466 0.896,467 16,468 0.667,469 15.123,470 0.63,471 23.667,472 0.623,473 24.438,474 1.018,475 7.135,476 0.297,477 4.569,478 0.19,479 0.068,481 0.341,485 1.08,486 1.048,487 0.713,488 0.74,489 1.262,490 0.715,491 0.558,492 0.932,493 0.968,494 1.022,495 0.505,496 0.893,497 0.931,498 0.921,499 1.014,500 0.963,501 0.838,502 0.921,503 0.67,504 0.981,505 1.313,506 1.296,507 0.629,508 1.175,509 1.046,510 1.044,511 1.348,512 1.252,513 1.074,514 1.227,515 1.071,516 0.974,517 1.04,518 1.048,519 1.126,520 1.036,521 0.743,522 0.939,523 0.859,524 0.908,525 0.573,526 0.813,527 1.213,528 1.14,529 0.75,530 0.862,531 1.117,532 0.919,533 4.5,534 0.103,535 2.667,536 1.5,537 1.493,538 0.444,539 0.283,540 0.236,541 0.209,542 0.177,543 6919,544 19409,545 2.161,546 36.8,548 9,550 1,551 4,555 1.665,556 2.057,557 3.309,558 1.819,559 1,560 1,562 1,564 61.122,565 1.608,566 3.52,567 4.217,568 4.735,569 4.985,570 5.09,571 2.709,572 4.054,573 4.563,574 3.451,575 952.501,576 7.851,577 11218.6,578 1,579 1,580 1,581 1,582 199.421,583 1.281,584 4.532,585 0.167,586 0.006,587 0.07,588 0.038,589 0.047,590 0.018,591 0.013,592 0.011,593 0.009,594 0.009,595 0.389,596 0.17,597 1,598 0.49,599 114.344,600 -0.203,601 0.024,602 0.031,603 0.123,604 -0.317,605 0.095,606 0.317,607 0.123,608 -0.007,609 -0.021,610 0.239,611 -0.009,612 0.076,613 0.131,614 0.009,615 0.047,616 0.002,617 -0.013,618 0.228,619 0.031,620 -0.108,621 -0.151,622 0.237,623 -0.189,624 -0.139,625 -0.075,626 -0.224,627 -0.167,628 -0.136,629 -0.218,630 -0.086,631 -0.041,632 0.034,633 -0.02,634 -0.17,635 0.006,636 0.086,637 -0.056,638 0.184,639 0.131,640 0.177,641 0.273,642 -0.173,643 -0.144,644 -0.007,645 -0.051,646 -0.127,647 -0.031,648 1.563,649 1.867,650 0.833,651 17.924,652 1.006,653 1.12,654 3.517,655 12.371,656 0.73,657 3.332,658 3.664,659 3.951,660 4.234,661 4.477,662 4.466,663 4.543,664 4.635,665 4.779,666 4.754,667 6.008,668 0.695,669 334.44,670 3.332,671 4.875,672 5.733,673 6.616,674 7.487,675 8.372,676 9.247,677 10.131,678 11.008,679 11.891,680 15.8,684 2,690 4,694 4,695 8,696 4,700 4,702 22,711 2,718 38,719 22,720 2,721 27,723 41,724 17,725 16,726 3,727 7,729 4,730 6,741 16,742 1,753 1,754 1,757 14,758 6,759 4,760 7,761 1,764 6,769 0.5,774 1,776 1,781 4,785 2,802 2,803 1,804 1,810 24,811 2,816 1,819 1,836 11.667,837 6.8,838 5.194,839 2.056,840 4.538,841 1.605,842 1.059,843 3.828,844 12.044,845 3.664,846 4.357,847 5.024,848 5.672,849 6.281,850 6.536,851 6.902,852 7.272,853 7.694,854 7.683,855 0.857,856 39,857 8.785,859 3.756,860 7.694,861 16.718,863 13.76,865 2.194,866 52.667,870 117.711,871 126.04,872 132.936,876 32.22,877 93.821,878 117.711,879 132.936,881 0.9,882 132.128,883 78.913,884 22.36,885 4.227,886 138.159,888 117.711,889 226.757,891 32.22,893 119.426,897 16.747,898 141.153,899 67.142,900 32.22,901 117.711,902 132.936,903 126.04,906 117.711,907 50.659,908 75.381,910 132.936,911 117.711,912 132.936,913 126.04,915 0.583,916 0.345,917 0.196,918 0.108,919 20,920 8,921 0.073,922 3,923 2,924 1.2,925 3.693,926 199.238,927 0.2,928 20,929 108.039,930 1,933 14.973,934 6.136,935 2.962,936 3.355,937 132.936,938 16.301,939 16.793,943 2.381,945 65.794,946 376.688,947 38,956 38.222,957 42.571,958 0.306,959 0.671,960 0.804,961 0.902,962 0.95,963 0.97,964 4.879,965 1.277,966 5.714,967 3.801,968 4.344,969 5.043,970 3.11,971 6.524,972 4.234,973 6.114,974 1.041,975 7.268,976 2.853,977 3.892,978 4.913,980 7.402,981 3.74,982 7.437,983 1,984 8.921,985 2.565,986 5.932,987 7.38,988 5.44,989 10.513,990 5.727,991 8.798,992 0.592,993 10.634,994 2.369,995 6.293,996 8.087,998 12.23,999 6.048,1000 10.191,1001 0.034,1002 12.386,1003 1.402,1004 7.8,1005 10.012,1006 7.807,1007 14.848,1008 7.513,1009 11.607,1010 -0.366,1011 14.165,1012 0.086,1013 8.558,1014 11.132,1016 16.917,1017 8.232,1018 13.042,1019 -0.459,1020 15.964,1021 -0.925,1022 9.837,1023 12.819,1024 10.177,1025 19.357,1026 9.474,1027 3.081,1028 -0.618,1029 17.778,1030 -1.169,1031 10.789,1032 14.142,1034 21.573,1035 10.387,1036 3.028,1037 10.202,1038 19.604,1039 -1.478,1040 11.971,1041 15.723,1042 12.548,1043 23.943,1044 11.532,1045 2.423,1046 10.168,1047 21.439,1048 4.491,1049 13.013,1050 17.14,1052 26.22,1053 12.534,1054 2.117,1055 6.929,1056 23.281,1057 4.429,1058 14.155,1059 18.674,1060 14.919,1061 28.562,1062 13.639,1063 2.023,1064 6.198,1065 25.13,1066 3.237,1067 15.238,1068 20.134,1070 30.864,1071 14.681,1072 1.941,1073 5.8,1074 26.983,1075 2.906,1076 16.364,1077 21.647,1078 17.29,1079 33.194,1080 15.768,1081 1.618,1082 5.732,1083 28.84,1084 2.811,1085 17.465,1086 23.127,1088 35.507,1089 16.829,1090 6448,1091 10954,1092 18.493,1093 27.728,1094 40.522,1095 43.605,1096 41.213,1097 40.303,1098 40.35,1099 56.996,1100 6.545,1101 116.213,1102 38.04,1103 5.37,1104 6.458,1105 6.197,1106 5.144,1107 5.081,1108 7.491,1109 6.545,1110 17.096,1111 4.96,1112 8.834,1113 1.501,1114 1.615,1115 1.526,1116 1.493,1117 1.494,1118 2.111,1119 0.242,1120 4.304,1121 1.409,1122 4.086,1123 4.11,1124 4.139,1125 4.06,1126 5.341,1127 4.043,1128 4.009,1129 4.053,1130 3.991,1131 3.845,1132 4.989,1133 3.877,1134 3.525,1135 3.579,1136 3.677,1137 3.458,1138 4.895,1139 3.417,1140 3.441,1141 3.491,1142 3.36,1143 3.321,1144 4.855,1145 3.319,1146 3.117,1147 3.221,1148 3.226,1149 3.04,1150 4.332,1151 3.005,1152 3.099,1153 3.167,1154 2.992,1155 2.789,1156 4.217,1157 2.822,1158 2.942,1159 3.012,1160 2.83,1161 2.772,1162 4.047,1163 2.77,1164 2.666,1165 2.728,1166 2.592,1167 2.574,1168 3.853,1169 2.56,1170 0.168,1171 0.165,1172 0.241,1173 0.149,1174 0.114,1175 4.542,1176 0.166,1177 4.458,1178 0.121,1179 6.508,1180 0.378,1181 4.025,1182 0.11,1183 3.081,1184 4.491,1185 3.272,1186 10.202,1187 2.96,1188 2.067,1189 2.052,1190 2.138,1191 2.116,1192 1.293,1193 2.127,1194 1.91,1195 1.867,1196 1.944,1197 2.096,1198 1.011,1199 2.061,1200 1.501,1201 1.466,1202 1.655,1203 1.651,1204 0.748,1205 1.654,1206 1.418,1207 1.367,1208 1.56,1209 1.576,1210 0.667,1211 1.596,1212 1.089,1213 1.05,1214 1.271,1215 1.378,1216 0.345,1217 1.359,1218 0.982,1219 0.877,1220 1.246,1221 1.248,1222 0.157,1223 1.281,1224 0.917,1225 0.84,1226 1.18,1227 1.127,1228 0.061,1229 1.156,1230 0.689,1231 0.638,1232 0.948,1233 0.888,1235 0.908,1236 4.007,1238 5.333,1240 6.868,1242 8.502,1244 10.187,1250 11.443,1252 0.681,1255 1.712,1262 26.423,1263 61.122,1264 133.77,1265 160.26,1266 179.911,1267 189.421,1268 193.421,1269 27.744,1270 7.506,1271 103.6,1272 128.9,1273 24,1274 12.426,1275 4.524,1276 3.585,1277 34.017,1278 89,1279 76,1280 0.19,1281 166.889,1282 267.73,1283 398.97,1284 19727,1286 16.518,1287 0.688,1288 0.562,1289 16.872,1290 13.494,1291 11.704,1292 0.433,1293 0.309,1294 7.363,1295 10.915,1296 7.117,1297 5.894,1298 12.158,1299 8.343,1300 10.634,1301 0.28,1302 0.165,1303 11.184,1304 6.284,1305 9.036,1306 0.177,1307 0.093,1308 9.762,1309 4.733,1310 7.913,1311 0.116,1312 0.051,1313 8.676,1314 3.484,1315 6.551,1316 0.075,1317 0.029,1318 7.303,1319 2.498,1320 0.299,1321 77.019,1322 0.233,1323 23.45,1324 0.516,1325 130,1326 358.065,1327 162.496,1328 381.06,1329 534.42,1330 358,1331 154,1332 394.663,1333 184.452,1334 416.087,1335 611.12,1336 392,1337 5.086}
{0 CHEMBL22477,1 1.621,2 10.13,3 2.457,4 6.035,5 88.702,6 8.28,7 0.808,8 3.763,9 3.869,10 3.42,11 3.308,12 4.985,13 3.326,14 4.223,15 4.347,16 3.791,17 3.687,18 5.455,19 3.689,20 4.392,21 4.549,22 3.79,23 3.757,24 5.514,25 3.739,26 4.447,27 4.623,28 3.698,29 3.669,30 5.641,31 3.622,32 4.379,33 4.608,34 3.371,35 3.49,36 5.459,37 3.413,38 4.143,39 4.371,40 3.236,41 3.352,42 5.085,43 3.277,44 3.993,45 4.18,46 3.273,47 3.303,48 5.103,49 3.257,50 4.011,51 4.226,52 3.222,53 3.267,54 5.082,55 3.222,56 0.082,57 0.565,58 6.267,59 2.952,60 11.482,61 3.301,62 0.265,63 0.863,64 11.19,65 5.23,66 22.643,67 5.985,68 0.205,69 0.996,70 14.141,71 5.951,72 19.278,73 7.063,74 0.482,75 0.987,76 16.569,77 6.597,78 39.846,79 8.158,80 0.494,81 0.896,82 17.788,83 5.697,84 45.876,85 7.195,86 0.226,87 0.686,88 14.205,89 5.417,90 22.475,91 7.04,92 0.209,93 0.639,94 10.634,95 4.192,96 21.19,97 5.262,98 0.213,99 0.662,100 11.515,101 4.008,102 21.549,103 5.126,104 5,105 37,106 0.286,107 0.623,108 0.737,109 0.841,110 0.863,111 0.882,112 3.188,113 0.821,114 -4.31,115 -4.25,116 -4.01,119 45.9,125 1,139 7,140 4,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 10,169 2,170 7,172 3,173 3,175 1,178 12,180 1,182 5,187 1,189 10,191 1,192 2,193 2,195 3,196 3,197 1,198 1,200 2,201 6,204 1,205 1,206 2,207 2,209 1,210 1,212 1,215 5,218 1,221 3,229 4,234 6,236 1,237 1,239 2,241 4,243 2,246 6,251 2,254 3,256 2,260 6,265 4,268 1,270 4,273 647,274 15.74,275 15.74,276 15.74,277 15.74,278 15.74,279 13.246,280 13.869,281 9.219,282 16.038,283 12.859,284 12.859,285 12.859,286 12.859,287 12.859,288 9.114,289 18.73,290 4.396,291 13.352,292 3.589,293 1.687,294 1.038,295 0.453,296 0.324,297 0.216,298 3.89,300 1,301 1,302 1,303 520,304 2.449,306 45.036,307 167.144,310 84.935,311 94.275,314 1.365,315 19.603,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50,327 233,328 4.638,329 3.29,330 6.78,331 4.164,332 3.188,333 4.608,334 1.151,335 11.108,336 3.113,337 4.406,338 3.013,339 6.183,340 3.914,341 2.922,342 4.336,344 9.226,345 2.901,346 3.729,347 2.678,348 5.345,349 3.31,350 2.381,351 3.166,353 6.853,354 2.205,355 3.621,356 2.419,357 5.218,358 3.176,359 2.237,360 3.042,362 6.518,363 2.095,364 3.406,365 2.067,366 5.063,367 2.923,368 1.98,369 2.788,371 5.79,372 1.865,373 3.118,374 1.949,375 4.755,376 2.675,377 1.719,378 2.427,380 4.963,381 1.637,382 3.054,383 1.618,384 4.413,385 2.618,386 1.618,387 2.232,389 4.364,390 1.618,391 2.894,392 1.441,393 3.622,394 2.403,395 1.409,396 2.083,398 3.017,399 1.399,400 2.311,401 1.097,402 3.589,403 1.844,404 0.876,405 1.232,407 2.13,408 0.844,409 2.202,410 0.844,411 3.286,412 1.725,413 0.75,414 1.067,415 1.782,416 0.727,417 1.802,418 0.668,419 3.123,420 1.461,421 0.534,422 0.666,423 1.304,424 0.492,425 1.146,426 0.05,427 2.69,428 0.741,429 -0.197,430 -0.25,431 -0.52,432 -0.184,433 1.021,434 -0.232,435 2.542,436 0.557,437 -0.386,438 -0.517,439 -0.995,440 -0.361,441 0.882,442 -0.323,443 2.273,444 0.389,445 -0.535,446 -0.662,448 -1.273,449 -0.493,450 0.798,451 -0.618,452 2.1,453 0.382,454 -0.618,455 -0.927,457 -1.597,458 -0.618,459 10.767,460 0.468,461 0.554,462 0.024,463 35,464 1.522,465 19.5,466 0.848,467 15.5,468 0.674,469 13.567,470 0.59,471 23.433,472 0.633,473 23.522,474 1.023,475 7.057,476 0.307,477 4.146,478 0.18,479 0.074,481 0.372,485 1.014,486 1.059,487 0.724,488 0.887,489 1.233,490 0.759,491 0.91,492 0.803,493 0.759,494 0.908,495 0.614,496 0.844,497 1.102,498 1.178,499 0.976,500 1.13,501 0.959,502 1.045,503 0.894,504 1.096,505 1.066,506 1.23,507 0.736,508 1.213,509 1.291,510 0.73,511 1.271,512 0.895,513 1.346,514 1.037,515 1.009,516 0.854,517 0.873,518 0.926,519 0.786,520 0.9,521 0.969,522 1.024,523 0.951,524 0.993,525 0.827,526 0.983,527 1.116,528 0.958,529 0.986,530 0.844,531 1.104,532 0.873,533 4.5,534 0.066,535 2.444,536 1.66,537 1.365,538 0.399,539 0.354,540 0.214,541 0.217,542 0.168,543 6247,544 17364,545 2.168,546 37.8,548 9,549 1,551 4,555 1.653,556 2.06,557 3.3,558 1.822,559 1,560 1,562 1,564 59.96,565 1.621,566 3.523,567 4.171,568 4.757,569 4.885,570 4.993,571 2.699,572 4.35,573 4.5,574 3.425,575 866.487,576 7.721,577 9867.77,578 1,579 1,581 1,582 192.75,583 1.302,584 4.469,585 0.173,586 0.005,587 0.066,588 0.046,589 0.046,590 0.019,591 0.018,592 0.01,593 0.011,594 0.009,595 0.403,596 0.17,597 1,598 0.503,599 107.974,600 -0.149,601 0.044,602 0.021,603 0.057,604 -0.309,605 0.082,606 0.126,607 0.23,608 0.065,609 0.064,610 0.187,611 0.041,612 -0.141,613 -0.17,614 -0.101,615 -0.165,616 -0.142,617 -0.128,618 0.29,619 -0.152,620 -0.096,621 -0.254,622 0.268,623 -0.264,624 -0.075,625 0.227,626 -0.205,627 0.059,628 -0.182,629 -0.062,630 -0.036,631 -0.005,632 0.184,633 0.122,634 0.034,635 0.179,636 -0.013,637 -0.07,640 0.086,641 -0.004,642 -0.176,643 0.025,644 0.006,645 0.121,646 -0.152,647 0.108,648 1.577,649 2.349,650 0.826,651 16.93,652 1.013,653 1.121,654 3.08,655 9.487,656 0.696,657 3.296,658 3.638,659 3.932,660 4.234,661 4.419,662 4.454,663 4.511,664 4.615,665 4.691,666 4.691,667 5.877,668 0.68,669 306.35,670 3.296,671 4.844,672 5.707,673 6.597,674 7.473,675 8.366,676 9.245,677 10.139,678 11.022,679 11.916,680 10.8,684 2,690 2,694 4,695 8,696 2,698 1,700 4,702 21,711 2,716 1,718 37,719 21,720 2,721 26,723 40,724 17,725 16,726 3,727 7,729 4,730 6,741 16,742 1,753 1,754 1,756 1,757 14,758 6,759 4,760 6,764 4,769 0.5,770 2,776 1,780 1,781 3,784 1,785 1,802 2,810 23,811 2,816 1,818 1,829 5.4,834 2,836 11.167,837 6.567,838 4.944,839 1.992,840 4.282,841 1.577,842 1.059,843 3.37,844 11.707,845 3.624,846 4.327,847 5.001,848 5.662,849 6.2,850 6.495,851 6.832,852 7.214,853 7.459,854 7.529,855 0.857,856 36,857 8.421,859 3.627,860 7.754,861 15.894,863 13.072,865 2.254,866 51.833,870 117.711,871 107.448,872 99.365,874 20.507,877 107.448,878 138.218,879 99.365,881 4.592,882 143.868,883 37.978,884 36.655,885 15.998,886 105.94,888 117.711,889 206.813,890 20.507,893 117.711,894 20.507,897 10.899,898 162.343,899 33.571,901 117.711,902 119.873,903 107.448,906 117.711,907 29.375,908 78.073,910 119.873,911 117.711,912 119.873,913 107.448,915 0.586,916 0.346,917 0.198,918 0.103,919 20,920 8,921 0.075,922 3,923 2,924 1.211,925 3.623,926 188.358,927 0.211,928 19,929 104.042,933 14,934 5.537,935 2.607,936 3.298,937 119.873,938 15.632,939 7.977,941 5.378,943 1.934,945 65.794,946 345.032,947 36.5,956 37.48,957 41.488,958 0.311,959 0.676,960 0.801,961 0.913,962 0.938,963 0.958,964 4.846,965 1.409,966 5.694,967 4.364,968 4.317,969 5.014,970 1.294,971 6.515,972 4.248,973 6.086,974 0.876,975 7.253,976 3.017,977 3.892,978 4.913,980 7.416,981 3.794,982 7.414,983 0.75,984 8.912,985 2.13,986 5.916,987 7.361,988 1.506,989 10.535,990 5.794,991 8.782,992 0.534,993 10.63,994 1.782,995 6.312,996 8.11,998 12.303,999 6.176,1000 10.181,1001 -0.197,1002 12.388,1003 1.304,1004 7.804,1005 10.013,1006 1.731,1007 14.936,1008 7.647,1009 11.605,1010 -0.386,1011 14.175,1012 -0.52,1013 8.595,1014 11.171,1016 17.073,1017 8.43,1018 13.048,1019 -0.535,1020 15.984,1021 -0.995,1022 9.871,1023 12.846,1024 1.968,1025 19.544,1026 9.686,1027 3.188,1028 -0.618,1029 17.81,1030 -1.273,1031 10.851,1032 14.198,1034 21.834,1035 10.656,1036 2.922,1037 11.108,1038 19.65,1039 -1.597,1040 12.039,1041 15.777,1042 2.214,1043 24.251,1044 11.826,1045 2.381,1046 9.226,1047 21.501,1048 4.608,1049 13.107,1050 17.217,1052 26.603,1053 12.879,1054 2.237,1055 6.853,1056 23.362,1057 4.336,1058 14.263,1059 18.755,1060 2.468,1061 29.005,1062 14.016,1063 1.98,1064 6.518,1065 25.231,1066 3.166,1067 15.371,1068 20.235,1070 31.384,1071 15.105,1072 1.719,1073 5.79,1074 27.106,1075 3.042,1076 16.516,1077 21.757,1078 2.727,1079 33.782,1080 16.23,1081 1.618,1082 4.963,1083 28.986,1084 2.788,1085 17.643,1086 23.254,1088 36.174,1089 17.336,1090 5806,1091 9824,1092 17.8,1093 25.739,1094 39.48,1095 39.46,1096 40.136,1097 39.273,1098 39.228,1099 55.295,1100 2.302,1101 114.108,1102 37.794,1103 5.474,1104 5.29,1105 6.467,1106 5.237,1107 5.188,1108 7.608,1109 2.302,1110 17.998,1111 5.113,1112 8.519,1113 1.518,1114 1.518,1115 1.544,1116 1.511,1117 1.509,1118 2.127,1119 0.089,1120 4.389,1121 1.454,1122 4.107,1123 4.125,1124 4.079,1125 4.039,1126 5.364,1127 4.038,1128 4.045,1129 4.065,1130 4.01,1131 3.917,1132 4.99,1133 3.945,1134 3.52,1135 3.558,1136 3.444,1137 3.393,1138 4.962,1139 3.395,1140 3.395,1141 3.452,1142 3.321,1143 3.179,1144 4.922,1145 3.21,1146 3.1,1147 3.197,1148 2.998,1149 2.961,1150 4.549,1151 2.952,1152 3.067,1153 3.13,1154 2.944,1155 2.742,1156 4.144,1157 2.794,1158 2.982,1159 3.043,1160 2.836,1161 2.714,1162 4.079,1163 2.74,1164 2.631,1165 2.695,1166 2.512,1167 2.514,1168 3.824,1169 2.506,1170 0.178,1171 0.127,1172 0.261,1173 0.16,1174 0.123,1175 4.638,1176 0.177,1177 3.29,1178 0.044,1179 6.78,1180 0.427,1181 4.164,1182 0.12,1183 3.188,1184 4.608,1185 1.151,1186 11.108,1187 3.113,1188 2.065,1189 2.048,1190 2.149,1191 2.124,1192 1.274,1193 2.133,1194 1.817,1195 1.787,1196 1.867,1197 1.995,1198 1.044,1199 1.955,1200 1.512,1201 1.484,1202 1.66,1203 1.728,1204 0.688,1205 1.704,1206 1.407,1207 1.377,1208 1.568,1209 1.562,1210 0.582,1211 1.569,1212 1.068,1213 1.024,1214 1.287,1215 1.356,1216 0.356,1217 1.337,1218 0.959,1219 0.901,1220 1.253,1221 1.324,1222 0.155,1223 1.289,1224 0.926,1225 0.826,1226 1.177,1227 1.194,1228 0.025,1229 1.222,1230 0.71,1231 0.646,1232 1.016,1233 1.01,1235 1.018,1236 3.97,1238 5.303,1239 2.398,1240 6.834,1241 4.727,1242 8.46,1243 6.843,1244 10.134,1250 11.457,1252 0.308,1254 5.849,1262 25.149,1263 59.96,1264 130.343,1265 154.343,1266 175.995,1267 180.75,1268 184.75,1269 26.925,1270 7.425,1271 100.19,1272 100.19,1273 23,1274 12.444,1275 4.459,1276 3.524,1277 32.045,1278 83,1279 69,1280 0.192,1281 153.09,1282 247.44,1283 365.299,1284 17595,1286 15.811,1287 0.687,1288 0.53,1289 15.811,1290 12.192,1291 11.204,1292 0.431,1293 0.274,1294 6.999,1295 10.75,1296 6.875,1297 5.687,1298 11.204,1299 7.112,1300 10.29,1301 0.278,1302 0.141,1303 10.29,1304 5.206,1305 8.727,1306 0.175,1307 0.073,1308 8.727,1309 3.67,1310 7.826,1311 0.115,1312 0.038,1313 7.826,1314 2.571,1315 6.067,1316 0.074,1317 0.02,1318 6.067,1319 1.639,1320 0.303,1321 70.431,1322 0.237,1323 22.635,1324 0.521,1325 126,1326 377.386,1327 139.58,1328 366.112,1329 512.44,1330 344,1331 150,1332 393.142,1333 163.303,1334 397.724,1335 584.22,1336 374,1337 4.22}
{0 CHEMBL22543,1 1.678,2 10.16,3 1.419,4 2.015,5 93.881,6 7.76,7 0.63,8 3.91,9 4.042,10 3.501,11 3.318,12 5.123,13 3.349,14 4.393,15 4.585,16 3.841,17 3.649,18 5.565,19 3.674,20 4.495,21 4.661,22 3.942,23 3.804,24 5.688,25 3.81,26 4.648,27 4.851,28 3.882,29 3.87,30 5.772,31 3.82,32 4.743,33 4.978,34 3.744,35 3.862,36 5.763,37 3.779,38 4.701,39 4.959,40 3.594,41 3.754,42 5.669,43 3.655,44 4.573,45 4.835,46 3.544,47 3.621,48 5.53,49 3.537,50 4.417,51 4.675,52 3.441,53 3.5,54 5.47,55 3.431,56 0.109,57 0.695,58 8.771,59 3.053,60 12.451,61 4.325,62 0.435,63 0.998,64 17.109,65 4.907,66 32.455,67 6.94,68 0.413,69 1.167,70 17.298,71 5.538,72 28.259,73 7.781,74 0.456,75 1.231,76 21.597,77 7.325,78 38.173,79 10.491,80 0.588,81 1.223,82 25.682,83 7.441,84 47.269,85 11.309,86 0.601,87 1.089,88 25.874,89 7.283,90 47.615,91 11.041,92 0.52,93 0.941,94 23.458,95 6.671,96 39.445,97 10.26,98 0.408,99 0.866,100 19.033,101 4.95,102 38.327,103 7.965,104 30,105 38,106 0.291,107 0.652,108 0.785,109 0.827,110 0.843,111 0.867,112 3.267,113 0.833,114 -2.68,115 -2.69,116 -2.62,119 36.4,124 3,125 1,139 3,141 3,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 1,169 2,170 4,172 3,173 3,178 1,181 5,182 4,184 1,185 1,189 1,192 3,193 1,195 3,196 3,197 1,200 2,205 1,206 1,207 1,209 1,210 1,220 3,221 2,223 1,224 1,233 2,234 2,245 1,246 3,248 1,249 1,251 1,256 1,259 2,260 2,262 1,263 1,265 1,270 1,273 845,274 16.773,275 16.773,276 16.773,277 16.773,278 16.773,279 14.737,280 23.409,281 9.666,282 17.51,283 13.181,284 13.181,285 13.181,286 13.181,287 13.181,288 9.975,289 31.969,290 4.421,291 14.204,292 3.781,293 1.7,294 0.932,295 0.688,296 0.597,297 0.461,298 3.946,300 1,301 1,302 1,303 536,304 3.162,307 213.549,311 110.604,314 1.446,315 23.726,317 1,318 1,319 0.83,320 1,321 0.8,323 1,324 1,325 0.8,326 55.5,327 254,328 4.543,329 3.309,330 6.508,331 4.035,332 3.092,333 4.491,334 0.916,335 10.198,336 2.913,337 4.337,338 3.118,339 6.469,340 3.961,341 3.014,342 3.955,343 0.86,344 10.031,345 2.85,346 3.791,347 2.774,348 5.418,349 3.403,350 2.46,351 3.242,352 0.86,353 7.145,354 2.319,355 3.578,356 2.644,357 5.229,358 3.184,359 2.262,360 2.893,361 0.172,362 6.531,363 2.079,364 3.43,365 2.318,366 5.064,367 2.99,368 2.074,369 2.811,371 5.88,372 1.896,373 3.391,374 2.14,375 5.02,376 2.911,377 1.994,378 2.706,380 5.793,381 1.825,382 3.115,383 2.011,384 4.876,385 2.76,386 1.832,387 2.266,389 5.261,390 1.694,391 2.458,392 1.337,393 3.844,394 2.007,395 1.038,396 1.441,398 2.735,399 1.003,400 2.381,401 1.116,402 3.707,403 1.911,404 1,405 1.346,407 2.565,408 0.91,409 1.881,410 1.057,411 3.056,412 1.606,413 0.748,414 0.822,415 1.273,416 0.636,417 1.503,418 0.913,419 2.876,420 1.189,421 0.333,422 0.366,423 0.492,424 0.282,425 1.434,426 0.396,427 2.683,428 1.077,429 0.162,430 0.203,431 0.365,432 0.148,433 0.987,434 -0.008,435 2.578,436 0.544,437 -0.376,438 -0.462,439 -0.833,440 -0.345,441 0.825,442 -0.201,443 2.483,444 0.44,445 -0.471,446 -0.585,448 -1.081,449 -0.425,450 0.699,451 -0.307,452 2.255,453 0.362,454 -0.55,455 -0.638,457 -1.291,458 -0.497,459 11.467,460 0.459,461 0.66,462 0.026,463 36.25,464 1.45,465 18.5,466 0.74,467 17.75,468 0.71,469 17.16,470 0.686,471 27.533,472 0.626,473 27.217,474 1.089,475 7.462,476 0.298,477 4.549,478 0.182,479 0.201,481 0.384,485 1.047,486 1.604,487 0.779,488 1.232,489 1.189,490 0.979,491 1.253,492 0.904,493 0.742,494 0.692,495 0.742,496 0.634,497 1.045,498 1.166,499 0.973,500 1.091,501 0.906,502 1.028,503 0.788,504 1.125,505 1.002,506 1.254,507 0.703,508 1.196,509 1.018,510 1.092,511 1.152,512 1.148,513 1.006,514 1.173,515 1.037,516 0.822,517 1.122,518 1.012,519 1.004,520 1.077,521 0.964,522 0.954,523 0.846,524 0.91,525 0.698,526 0.883,527 0.943,528 0.967,529 1.017,530 0.971,531 1.162,532 0.988,533 6,534 0.136,535 2.889,536 2,537 1.991,538 0.792,539 0.508,540 0.311,541 0.287,542 0.217,543 6739,544 20379,545 2.015,546 43.2,548 14,550 1,551 4,555 1.681,556 1.852,557 3.312,558 1.855,559 1,560 1,562 1,564 73.853,565 1.678,566 3.759,567 4.527,568 4.772,569 4.863,570 4.999,571 2.713,572 4.294,573 4.618,574 3.445,575 1033.62,576 7.988,577 12461.1,579 1,581 1,582 240.215,583 1.516,584 4.555,585 0.222,586 0.009,587 0.076,588 0.049,589 0.054,590 0.026,591 0.02,592 0.012,593 0.012,594 0.01,595 0.489,596 0.17,597 1,598 0.942,599 120.226,600 -0.152,601 -0.337,602 0.041,603 -0.147,604 -0.254,605 -0.023,606 -0.077,607 0.187,608 0.206,609 0.295,610 0.158,611 0.299,612 -0.038,613 0.034,614 -0.098,615 -0.076,616 -0.04,617 -0.102,618 0.087,619 -0.048,620 -0.094,621 -0.214,622 0.121,623 -0.207,624 -0.078,625 -0.112,626 -0.191,627 -0.148,628 -0.122,629 -0.184,630 -0.065,631 0.097,632 -0.122,633 -0.037,634 -0.117,635 -0.084,636 0.044,637 -0.105,638 0.179,639 0.101,640 0.141,641 0.151,642 -0.056,643 -0.004,644 -0.033,645 -0.02,646 -0.143,647 -0.012,648 1.592,649 1.919,650 0.64,651 19.952,652 1.015,653 1.145,654 1.445,655 2.088,656 0.648,657 3.332,658 3.664,659 3.932,660 4.19,661 4.419,662 4.431,663 4.477,664 4.489,665 4.635,666 4.615,667 5.981,668 0.63,669 341.42,670 3.332,671 4.875,672 5.727,673 6.611,674 7.479,675 8.365,676 9.239,677 10.125,678 11.001,679 11.886,680 15.9,684 2,686 1,690 4,694 2,695 4,696 4,700 6,702 17,711 2,714 1,716 2,718 44,719 17,720 1,721 27,723 46,724 16,725 12,726 3,727 3,729 3,730 4,741 12,742 4,753 1,754 1,757 19,758 9,759 4,760 9,764 7,769 0.667,770 2,774 1,776 1,781 3,785 1,802 2,806 3,810 25,811 2,816 1,818 2,821 1,829 4.5,834 2,836 13.5,837 8.833,838 5.611,839 2.19,840 3.368,841 1.471,842 0.973,843 4.946,844 10.513,845 3.597,846 4.248,847 4.866,848 5.469,849 6.055,850 6.292,851 6.601,852 6.907,853 7.329,854 7.393,855 0.857,856 41,857 9.126,859 3.744,860 7.813,861 17.049,863 13.193,865 2.313,866 57.833,870 176.567,871 93.831,872 136.061,874 22,877 93.831,878 198.566,879 136.061,880 30.162,881 2.106,882 94.223,883 78.913,884 54.031,885 4.227,886 164.795,888 176.567,889 229.892,890 22,893 178.282,894 22,897 17.953,898 143.081,899 67.142,901 176.567,902 158.061,903 93.831,906 176.567,907 26.193,908 70.763,910 154.936,911 176.567,912 158.061,913 93.831,915 0.581,916 0.351,917 0.192,918 0.107,919 18,920 9,921 0.109,922 5,923 1,924 1.125,925 3.6,926 205.2,927 0.125,928 16,929 116.096,933 17.296,934 7.149,935 3.611,936 0.799,937 158.061,938 7.225,939 16.717,943 3.321,945 65.794,946 428.458,947 35.5,956 44.669,957 50.398,958 0.307,959 0.689,960 0.829,961 0.874,962 0.891,963 0.916,964 4.83,965 1.038,966 5.727,967 5.261,968 4.344,969 4.934,970 1.698,971 6.547,972 4.205,973 6.06,974 1,975 7.296,976 2.735,977 4.007,978 4.856,979 0.325,980 7.455,981 3.813,982 7.383,983 0.748,984 8.96,985 2.565,986 5.953,987 7.213,988 1.422,989 10.537,990 5.695,991 8.742,992 0.333,993 10.677,994 1.273,995 6.382,996 7.913,997 0.393,998 12.231,999 6.064,1000 10.128,1001 0.162,1002 12.428,1003 0.492,1004 7.827,1005 9.779,1006 1.2,1007 14.844,1008 7.459,1009 11.535,1010 -0.376,1011 14.203,1012 0.365,1013 8.616,1014 10.862,1015 0.384,1016 16.886,1017 8.187,1018 12.958,1019 -0.471,1020 15.995,1021 -0.833,1022 9.861,1023 12.518,1024 1.01,1025 19.323,1026 9.384,1027 3.092,1028 -0.55,1029 17.802,1030 -1.081,1031 10.824,1032 13.802,1033 0.351,1034 21.521,1035 10.286,1036 3.014,1037 10.198,1038 19.621,1039 -1.291,1040 11.988,1041 15.362,1042 0.845,1043 23.887,1044 11.4,1045 2.46,1046 10.031,1047 21.448,1048 4.491,1049 13.034,1050 16.75,1051 0.312,1052 26.151,1053 12.386,1054 2.262,1055 7.145,1056 23.284,1057 3.955,1058 14.167,1059 18.268,1060 0.702,1061 28.487,1062 13.466,1063 2.074,1064 6.531,1065 25.126,1066 3.242,1067 15.251,1068 19.707,1069 0.273,1070 30.78,1071 14.49,1072 1.994,1073 5.88,1074 26.973,1075 2.893,1076 16.373,1077 21.207,1078 0.579,1079 33.104,1080 15.557,1081 1.832,1082 5.793,1083 28.825,1084 2.811,1085 17.475,1086 22.673,1087 0.236,1088 35.41,1089 16.6,1090 6650,1091 11706,1092 17.512,1093 28.517,1094 40.128,1095 40.826,1096 42.208,1097 39.935,1098 40.018,1099 53.085,1100 5.618,1101 116.534,1102 37.112,1103 5.381,1104 5.309,1105 6.077,1106 5.116,1107 5.092,1108 7.491,1109 1.776,1110 17.092,1111 4.913,1112 14.231,1113 1.486,1114 1.512,1115 1.563,1116 1.479,1117 1.482,1118 1.966,1119 0.208,1120 4.316,1121 1.375,1122 4.041,1123 4.091,1124 4.021,1125 3.881,1126 5.342,1127 3.908,1128 3.92,1129 3.946,1130 3.88,1131 3.802,1132 4.99,1133 3.821,1134 3.55,1135 3.618,1136 3.472,1137 3.355,1138 4.924,1139 3.375,1140 3.334,1141 3.4,1142 3.213,1143 3.064,1144 4.857,1145 3.088,1146 3.279,1147 3.353,1148 3.125,1149 2.999,1150 4.603,1151 3.016,1152 3.137,1153 3.229,1154 2.992,1155 2.865,1156 4.285,1157 2.853,1158 3.1,1159 3.22,1160 2.887,1161 2.78,1162 4.157,1163 2.822,1164 2.886,1165 2.994,1166 2.719,1167 2.648,1168 4.052,1169 2.654,1170 0.168,1171 0.123,1172 0.241,1173 0.149,1174 0.115,1175 4.543,1176 0.166,1177 3.309,1178 0.034,1179 6.508,1180 0.378,1181 4.035,1182 0.108,1183 3.092,1184 4.491,1185 0.916,1186 10.198,1187 2.913,1188 1.93,1189 1.893,1190 2.002,1191 2.116,1192 1.139,1193 2.079,1194 1.867,1195 1.84,1196 1.93,1197 2.004,1198 0.98,1199 1.989,1200 1.488,1201 1.423,1202 1.692,1203 1.721,1204 0.771,1205 1.715,1206 1.25,1207 1.186,1208 1.591,1209 1.568,1210 0.586,1211 1.571,1212 1.216,1213 1.132,1214 1.533,1215 1.519,1216 0.558,1217 1.518,1218 1.126,1219 1.031,1220 1.491,1221 1.421,1222 0.541,1223 1.46,1224 0.982,1225 0.875,1226 1.269,1227 1.377,1228 0.184,1229 1.357,1230 0.864,1231 0.761,1232 1.2,1233 1.166,1234 0.13,1235 1.193,1236 4.007,1238 5.333,1240 6.862,1242 8.486,1244 10.16,1246 5.165,1250 11.442,1252 0.482,1254 10.703,1257 1.978,1262 27.74,1263 73.853,1264 165.406,1265 199.195,1266 209.95,1267 213.95,1268 219.95,1269 35.445,1270 7.145,1271 125.3,1272 125.3,1273 18,1274 12.42,1275 4.17,1276 3.248,1277 41.776,1278 91,1279 83,1280 0.229,1281 174.201,1282 289.04,1283 416.811,1284 11576,1286 17.974,1287 0.719,1288 0.569,1289 17.974,1290 14.224,1291 12.012,1292 0.445,1293 0.278,1294 7.296,1295 11.273,1296 7.039,1297 5.918,1298 12.012,1299 7.493,1300 10.789,1301 0.284,1302 0.142,1303 10.789,1304 5.394,1305 9.061,1306 0.181,1307 0.074,1308 9.061,1309 3.698,1310 7.619,1311 0.117,1312 0.038,1313 7.619,1314 2.482,1315 6.112,1316 0.075,1317 0.02,1318 6.112,1319 1.615,1320 0.357,1321 77.216,1322 0.239,1323 24.107,1324 0.635,1325 130,1326 430.321,1327 148.052,1328 411.445,1329 565.88,1330 386,1331 153,1332 423.161,1333 171.692,1334 430.628,1335 624.98,1336 399,1337 6.328}
{0 CHEMBL22561,1 1.549,2 10.042,3 2.635,4 6.945,5 96.668,6 7.79,7 0.778,8 3.844,9 3.97,10 3.455,11 3.382,12 5.02,13 3.384,14 4.322,15 4.486,16 3.83,17 3.778,18 5.471,19 3.76,20 4.504,21 4.679,22 3.856,23 3.906,24 5.557,25 3.858,26 4.643,27 4.855,28 3.794,29 3.895,30 5.719,31 3.805,32 4.63,33 4.88,34 3.548,35 3.788,36 5.581,37 3.673,38 4.487,39 4.739,40 3.466,41 3.673,42 5.382,43 3.564,44 4.354,45 4.586,46 3.399,47 3.576,48 5.381,49 3.486,50 4.294,51 4.563,52 3.292,53 3.447,54 5.253,55 3.351,56 0.048,57 0.651,58 7.841,59 3.227,60 10.441,61 4.128,62 0.25,63 1.012,64 14.134,65 5.603,66 21.355,67 7.316,68 0.111,69 1.187,70 16.937,71 6.732,72 14.088,73 9.039,74 0.386,75 1.256,76 21.704,77 8.226,78 38.79,79 11.424,80 0.375,81 1.195,82 23.194,83 7.778,84 39.359,85 10.785,86 0.206,87 1.012,88 20.221,89 7.294,90 23.909,91 10.263,92 0.23,93 0.933,94 16.788,95 5.713,96 29.656,97 7.879,98 0.188,99 0.84,100 17.075,101 5.648,102 24.62,103 8.176,104 10,105 39,106 0.269,107 0.624,108 0.746,109 0.838,110 0.858,111 0.875,112 3.229,113 0.845,114 -4.55,115 -4.47,116 -4.21,119 43.9,124 1,125 1,139 7,140 4,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 10,169 2,170 7,172 3,173 3,175 1,178 12,180 1,182 5,187 1,189 10,191 1,192 2,193 2,195 3,196 3,197 1,198 1,200 2,201 6,204 1,205 1,206 2,207 2,209 1,210 1,212 1,215 5,218 1,221 3,229 4,234 6,236 1,237 1,239 2,241 4,243 2,246 6,251 2,254 3,256 2,260 6,265 4,268 1,270 4,273 730,274 16.24,275 16.24,276 16.24,277 16.24,278 16.24,279 13.771,280 16.551,281 9.416,282 16.519,283 13.337,284 13.337,285 13.337,286 13.337,287 13.337,288 9.626,289 25.146,290 4.478,291 13.798,292 3.809,293 1.756,294 1.053,295 0.525,296 0.409,297 0.311,298 3.927,300 1,301 1,302 1,303 535,304 2.828,306 47.819,307 177.016,310 90.13,311 99.859,314 1.382,315 16.985,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51.5,327 241,328 4.641,329 3.311,330 6.786,331 4.174,332 3.199,333 4.609,334 0.916,335 11.135,336 3.124,337 4.422,338 3.07,339 6.251,340 3.954,341 2.969,342 4.342,343 0.172,344 9.422,345 2.931,346 3.87,347 2.759,348 5.912,349 3.552,350 2.6,351 3.246,353 8.217,354 2.468,355 3.675,356 2.427,357 5.296,358 3.223,359 2.289,360 3.116,362 6.65,363 2.136,364 3.406,365 2.066,366 5.063,367 2.923,368 1.98,369 2.788,371 5.791,372 1.866,373 3.118,374 1.923,375 4.784,376 2.703,377 1.74,378 2.427,380 5.075,381 1.669,382 3.081,383 1.618,384 4.437,385 2.618,386 1.618,387 2.267,389 4.393,390 1.618,391 2.915,392 1.513,393 4.055,394 2.444,395 1.454,396 2.104,398 3.38,399 1.438,400 2.503,401 1.27,402 3.603,403 2.137,404 1.17,405 1.504,407 2.855,408 1.128,409 2.27,410 0.863,411 3.587,412 1.8,413 0.821,414 1.172,415 2.072,416 0.802,417 2.112,418 0.662,419 3.162,420 1.64,421 0.645,422 0.941,423 1.519,424 0.641,425 1.183,426 0.186,427 2.816,428 0.853,429 -0.091,430 -0.108,431 -0.243,432 -0.086,433 1.022,434 -0.26,435 2.663,436 0.565,437 -0.38,438 -0.503,439 -1.019,440 -0.355,441 0.902,442 -0.362,443 2.35,444 0.478,445 -0.483,446 -0.643,448 -1.162,449 -0.465,450 0.882,451 -0.412,452 2.205,453 0.382,454 -0.618,455 -0.734,457 -1.514,458 -0.584,459 11.333,460 0.472,461 0.644,462 0.027,463 35.75,464 1.49,465 19.5,466 0.813,467 16.25,468 0.677,469 15.588,470 0.65,471 24.667,472 0.602,473 24.947,474 1.039,475 7.183,476 0.299,477 4.431,478 0.185,479 0.115,481 0.388,485 1.056,486 1.205,487 0.773,488 0.939,489 1.241,490 0.825,491 0.811,492 0.79,493 0.748,494 0.795,495 0.481,496 0.771,497 0.922,498 1.244,499 0.989,500 1.161,501 0.832,502 1.092,503 0.656,504 1.103,505 1.016,506 1.194,507 0.603,508 1.178,509 1.191,510 0.808,511 1.192,512 0.983,513 1.249,514 1.073,515 0.956,516 0.974,517 0.94,518 0.996,519 0.692,520 0.981,521 1.202,522 0.937,523 1.167,524 1.019,525 1.254,526 1.073,527 0.959,528 0.894,529 0.865,530 0.85,531 0.924,532 0.84,533 5,534 0.066,535 2.889,536 1.91,537 1.52,538 0.82,539 0.396,540 0.301,541 0.217,542 0.168,543 6666,544 17449,545 2.135,546 41.5,548 12,549 1,551 4,555 1.667,556 2,557 3.293,558 1.777,559 1,560 1,562 1,564 63.504,565 1.549,566 3.601,567 4.305,568 4.833,569 4.949,570 5.046,571 2.721,572 4.085,573 4.561,574 3.414,575 942.177,576 7.858,577 10883.5,578 1,579 1,581 1,582 219.66,583 1.406,584 4.518,585 0.185,586 0.005,587 0.074,588 0.049,589 0.045,590 0.032,591 0.016,592 0.013,593 0.01,594 0.009,595 0.438,596 0.17,597 1,598 0.566,599 113.561,600 -0.136,601 -0.054,602 0.034,603 0.029,604 -0.275,605 0.059,606 0.2,607 0.305,608 0.127,609 0.176,610 0.268,611 0.143,612 -0.103,613 -0.186,614 -0.119,615 -0.179,616 -0.099,617 -0.153,618 0.327,619 -0.137,620 -0.061,621 -0.203,622 0.269,623 -0.2,624 -0.114,625 0.14,626 -0.178,627 -0.016,628 -0.231,629 -0.093,630 -0.038,631 -0.086,632 0.073,633 0.02,634 0.071,635 0.053,636 -0.17,637 0.047,638 -0.187,639 -0.057,640 -0.198,641 -0.11,642 -0.037,643 0.015,644 0.172,645 0.138,646 0.042,647 0.183,648 1.552,649 1.981,650 0.792,651 17.819,652 1.003,653 1.127,654 3.318,655 11.007,656 0.684,657 3.332,658 3.689,659 3.989,660 4.29,661 4.489,662 4.564,663 4.625,664 4.71,665 4.779,666 4.754,667 5.806,668 0.658,669 319.4,670 3.332,671 4.89,672 5.759,673 6.655,674 7.537,675 8.437,676 9.323,677 10.224,678 11.113,679 12.014,680 12.2,684 2,686 1,690 2,694 4,695 8,696 2,698 1,700 4,702 21,711 2,714 1,718 41,719 21,720 2,721 27,723 44,724 18,725 16,726 3,727 7,729 4,730 6,741 16,742 2,753 1,754 1,756 1,757 17,758 6,759 4,760 6,764 5,769 0.5,770 1,776 1,780 1,781 3,784 1,785 1,802 2,806 1,810 24,811 2,816 1,821 1,829 2.4,834 1,836 12,837 7.6,838 5.139,839 2.217,840 4.245,841 1.569,842 1.052,843 3.598,844 11.712,845 3.651,846 4.353,847 5.028,848 5.688,849 6.233,850 6.555,851 6.906,852 7.276,853 7.531,854 7.601,855 0.857,856 39,857 8.792,859 3.758,860 7.681,861 16.774,863 13.847,865 2.181,866 52.333,869 1,870 153.024,871 110.871,872 102.49,874 9.507,877 110.871,878 162.532,879 102.49,880 8.396,881 2.106,882 143.868,883 37.978,884 26.293,885 15.998,886 141.253,888 153.024,889 213.361,890 9.507,893 153.024,894 9.507,897 8.412,898 171.377,899 33.571,901 153.024,902 111.997,903 110.871,906 153.024,907 24.401,908 89.594,910 108.873,911 153.024,912 111.997,913 110.871,915 0.591,916 0.351,917 0.198,918 0.104,919 21,920 9,921 0.068,922 3,923 2,924 1.211,925 3.634,926 202.795,927 0.211,928 19,929 110.039,933 14.937,934 5.782,935 2.719,936 3.56,937 111.997,938 16.326,939 8.101,941 5.48,943 2.494,945 65.794,946 375.892,947 37.5,956 41.138,957 46.192,958 0.289,959 0.672,960 0.804,961 0.902,962 0.924,963 0.942,964 4.885,965 1.454,966 5.759,967 4.393,968 4.369,969 5.04,970 0.918,971 6.597,972 4.306,973 6.129,974 1.17,975 7.334,976 3.38,977 4.007,978 4.956,979 0.325,980 7.529,981 3.9,982 7.46,983 0.821,984 9.007,985 2.855,986 5.989,987 7.381,988 0.671,989 10.648,990 5.872,991 8.829,992 0.645,993 10.737,994 2.072,995 6.431,996 8.138,997 0.393,998 12.418,999 6.282,1000 10.23,1001 -0.091,1002 12.505,1003 1.519,1004 7.899,1005 10.031,1006 0.533,1007 15.052,1008 7.739,1009 11.655,1010 -0.38,1011 14.299,1012 -0.243,1013 8.717,1014 11.191,1015 0.384,1016 17.178,1017 8.535,1018 13.098,1019 -0.483,1020 16.112,1021 -1.019,1022 9.98,1023 12.861,1024 0.438,1025 19.646,1026 9.784,1027 3.199,1028 -0.618,1029 17.941,1030 -1.162,1031 10.972,1032 14.213,1033 0.351,1034 21.924,1035 10.757,1036 2.969,1037 11.135,1038 19.782,1039 -1.514,1040 12.154,1041 15.789,1042 0.366,1043 24.337,1044 11.923,1045 2.6,1046 9.422,1047 21.632,1048 4.609,1049 13.227,1050 17.229,1051 0.312,1052 26.682,1053 12.977,1054 2.289,1055 8.217,1056 23.491,1057 4.342,1058 14.379,1059 18.766,1060 0.309,1061 29.08,1062 14.112,1063 1.98,1064 6.65,1065 25.356,1066 3.246,1067 15.488,1068 20.245,1069 0.273,1070 31.454,1071 15.202,1072 1.74,1073 5.791,1074 27.227,1075 3.116,1076 16.632,1077 21.767,1078 0.262,1079 33.85,1080 16.326,1081 1.618,1082 5.075,1083 29.103,1084 2.788,1085 17.76,1086 23.264,1087 0.236,1088 36.239,1089 17.433,1090 6241,1091 10241,1092 18.205,1093 28.051,1094 41.47,1095 40.954,1096 42.31,1097 41.069,1098 40.97,1099 57.031,1100 2.178,1101 121.016,1102 39.643,1103 5.48,1104 5.311,1105 6.473,1106 5.246,1107 5.199,1108 7.609,1109 1.605,1110 18.029,1111 5.124,1112 10.471,1113 1.536,1114 1.517,1115 1.567,1116 1.521,1117 1.517,1118 2.112,1119 0.081,1120 4.482,1121 1.468,1122 4.117,1123 4.141,1124 4.085,1125 4.048,1126 5.363,1127 4.047,1128 4.046,1129 4.066,1130 4.012,1131 3.919,1132 4.985,1133 3.946,1134 3.595,1135 3.662,1136 3.508,1137 3.448,1138 4.948,1139 3.453,1140 3.395,1141 3.453,1142 3.322,1143 3.203,1144 4.9,1145 3.223,1146 3.233,1147 3.308,1148 3.09,1149 3.013,1150 4.385,1151 3.023,1152 3.08,1153 3.197,1154 2.96,1155 2.917,1156 4.141,1157 2.906,1158 3.024,1159 3.079,1160 2.894,1161 2.728,1162 4.035,1163 2.778,1164 2.826,1165 2.932,1166 2.578,1167 2.561,1168 3.827,1169 2.549,1170 0.172,1171 0.123,1172 0.251,1173 0.155,1174 0.118,1175 4.641,1176 0.171,1177 3.311,1178 0.034,1179 6.786,1180 0.412,1181 4.174,1182 0.116,1183 3.199,1184 4.609,1185 0.916,1186 11.135,1187 3.124,1188 2.072,1189 2.052,1190 2.157,1191 2.134,1192 1.294,1193 2.143,1194 1.825,1195 1.792,1196 1.892,1197 1.998,1198 1.094,1199 1.962,1200 1.585,1201 1.536,1202 1.74,1203 1.804,1204 0.792,1205 1.793,1206 1.408,1207 1.377,1208 1.576,1209 1.579,1210 0.618,1211 1.574,1212 1.193,1213 1.119,1214 1.495,1215 1.439,1216 0.516,1217 1.463,1218 1.046,1219 0.993,1220 1.281,1221 1.356,1222 0.355,1223 1.332,1224 0.958,1225 0.884,1226 1.251,1227 1.258,1228 0.16,1229 1.25,1230 0.882,1231 0.767,1232 1.167,1233 1.186,1234 0.026,1235 1.221,1236 4.007,1238 5.352,1239 2.398,1240 6.893,1241 4.727,1242 8.526,1243 6.843,1244 10.206,1246 2.025,1250 11.588,1252 0.628,1257 2.131,1262 26.983,1263 63.504,1264 147.644,1265 176.498,1266 198.15,1267 202.905,1268 206.905,1269 28.112,1270 7.467,1271 94.2,1272 94.2,1273 23,1274 12.537,1275 4.459,1276 3.524,1277 33.953,1278 85,1279 74,1280 0.199,1281 165.48,1282 266.95,1283 395.532,1284 18109,1286 16.681,1287 0.695,1288 0.551,1289 16.681,1290 13.23,1291 11.614,1292 0.43,1293 0.282,1294 7.494,1295 11.186,1296 7.295,1297 6.073,1298 11.614,1299 7.606,1300 10.819,1301 0.277,1302 0.149,1303 10.819,1304 5.796,1305 9.193,1306 0.173,1307 0.078,1308 9.193,1309 4.136,1310 8.179,1311 0.114,1312 0.041,1313 8.179,1314 2.924,1315 6.312,1316 0.072,1317 0.022,1318 6.312,1319 1.903,1320 0.31,1321 72.647,1322 0.234,1323 23.305,1324 0.55,1325 132,1326 359.295,1327 144.118,1328 356.226,1329 502,1330 334,1331 158,1332 389.152,1333 170.313,1334 398.026,1335 583.01,1336 373,1337 4.836}
{0 CHEMBL22623,1 1.613,2 10.192,3 2.199,4 4.836,5 101.823,6 7.385,7 0.607,8 3.978,9 4.111,10 3.528,11 3.418,12 5.151,13 3.425,14 4.474,15 4.671,16 3.875,17 3.773,18 5.591,19 3.77,20 4.583,21 4.737,22 3.983,23 3.966,24 5.675,25 3.944,26 4.81,27 5.016,28 3.996,29 4.057,30 5.907,31 3.975,32 4.941,33 5.209,34 3.847,35 4.019,36 5.88,37 3.921,38 4.82,39 5.05,40 3.657,41 3.917,42 5.785,43 3.813,44 4.737,45 5.007,46 3.565,47 3.856,48 5.607,49 3.711,50 4.738,51 5.052,52 3.548,53 3.689,54 5.633,55 3.57,56 0.069,57 0.737,58 10.221,59 3.694,60 11.983,61 5.229,62 0.392,63 1.081,64 19.275,65 6.112,66 32.204,67 8.549,68 0.209,69 1.3,70 19.621,71 6.884,72 15.572,73 9.8,74 0.474,75 1.482,76 26.192,77 9.455,78 41.099,79 13.806,80 0.481,81 1.477,82 32.894,83 9.082,84 50.768,85 14.459,86 0.669,87 1.277,88 29.152,89 8.514,90 50.983,91 12.121,92 0.241,93 1.194,94 26.344,95 8.987,96 31.97,97 13.744,98 0.518,99 1.055,100 28.928,101 7.951,102 51.087,103 12.776,104 41,105 40,106 0.275,107 0.636,108 0.782,109 0.806,110 0.806,111 0.806,112 3.304,113 0.861,114 -3.38,115 -3.37,116 -3.22,119 37.5,120 1,124 3,125 1,139 3,140 3,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 11,172 3,173 3,175 1,178 6,180 1,182 4,187 1,191 1,192 5,193 10,195 3,196 3,197 1,198 3,200 2,201 2,204 3,205 1,212 1,215 2,218 1,220 2,221 4,223 1,224 1,226 2,229 5,231 2,234 2,241 1,245 2,246 9,248 1,249 1,251 2,254 2,256 2,273 928,274 17.273,275 17.273,276 17.273,277 17.273,278 17.273,279 15.192,280 26.036,281 9.877,282 17.966,283 13.661,284 13.661,285 13.661,286 13.661,287 13.661,288 10.37,289 39.069,290 4.525,291 14.583,292 3.972,293 1.85,294 0.995,295 0.855,296 0.855,297 0.855,298 3.98,300 1,301 1,302 1,303 557,304 3.24,307 223.412,311 117.095,314 1.515,315 22.049,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 57,327 265,328 4.656,329 3.342,330 6.837,331 4.19,332 3.218,333 4.616,334 0.916,335 11.242,336 3.134,337 4.255,338 3.16,339 6.148,340 3.877,341 2.927,342 3.875,343 0.86,344 9.115,345 2.78,346 3.919,347 2.857,348 5.792,349 3.525,350 2.574,351 3.416,352 0.86,353 7.92,354 2.449,355 3.587,356 2.586,357 5.423,358 3.257,359 2.33,360 2.865,361 0.172,362 6.951,363 2.154,364 3.451,365 2.555,366 5.095,367 2.972,368 2.061,369 2.838,371 5.897,372 1.892,373 3.355,374 2.172,375 5.007,376 2.965,377 2.032,378 2.662,380 5.818,381 1.867,382 3.355,383 2.044,384 4.969,385 2.89,386 1.962,387 2.604,389 5.786,390 1.813,391 2.712,392 1.653,393 4.308,394 2.331,395 1.378,396 1.782,398 3.708,399 1.31,400 2.439,401 1.371,402 3.965,403 2.098,404 1.155,405 1.427,407 3.048,408 1.085,409 1.594,410 1.028,411 3.059,412 1.327,413 0.476,414 0.519,415 0.741,416 0.401,417 1.582,418 0.916,419 2.842,420 1.27,421 0.396,422 0.452,423 0.665,424 0.342,425 1.576,426 0.578,427 2.823,428 1.237,429 0.294,430 0.36,431 0.602,432 0.276,433 1.196,434 0.112,435 2.778,436 0.838,437 -0.111,438 -0.137,439 -0.289,440 -0.105,441 0.969,442 -0.251,443 2.662,444 0.522,445 -0.399,446 -0.518,448 -1.077,449 -0.366,450 0.717,451 -0.339,452 2.432,453 0.326,454 -0.614,455 -0.719,457 -1.545,458 -0.572,459 12.067,460 0.464,461 0.75,462 0.029,463 36.25,464 1.394,465 18.5,466 0.712,467 17.75,468 0.683,469 20.072,470 0.772,471 28.733,472 0.599,473 27.787,474 1.069,475 7.436,476 0.286,477 4.986,478 0.192,479 0.232,481 0.406,485 1.027,486 1.497,487 0.823,488 1.197,489 1.195,490 0.996,491 1.2,492 0.748,493 0.736,494 0.645,495 0.668,496 0.623,497 1.143,498 1.411,499 1.026,500 1.199,501 0.977,502 1.107,503 0.427,504 1.247,505 0.985,506 1.362,507 0.553,508 1.293,509 1.029,510 0.977,511 1.039,512 0.968,513 1.052,514 0.982,515 1.661,516 0.806,517 1.403,518 0.977,519 1.369,520 1.141,521 0.551,522 1.134,523 0.923,524 1.219,525 0.686,526 1.15,527 0.729,528 0.659,529 0.657,530 0.658,531 0.749,532 0.643,533 6.5,534 0.136,535 2.889,536 2.563,537 2.302,538 0.965,539 0.508,540 0.411,541 0.263,542 0.257,543 7320,544 20870,545 1.992,546 45.8,547 3,548 14,550 1,551 4,555 1.692,556 1.814,557 3.319,558 1.773,559 1,560 1,564 77.402,565 1.613,566 3.735,567 4.59,568 4.73,569 4.73,570 4.73,571 2.749,572 4.162,573 4.675,574 3.467,575 1126.73,576 8.104,577 13874.4,579 1,581 1,582 268.078,583 1.549,584 4.601,585 0.232,586 0.008,587 0.072,588 0.058,589 0.056,590 0.028,591 0.018,592 0.016,593 0.01,594 0.012,595 0.51,596 0.17,597 1,598 0.954,599 126.43,600 -0.113,601 -0.232,602 0.043,603 -0.099,604 -0.23,605 -0.007,606 -0.018,607 0.351,608 0.229,609 0.364,610 0.222,611 0.337,612 -0.204,613 -0.203,614 -0.142,615 -0.118,616 -0.18,617 -0.12,618 0.329,619 -0.154,620 -0.079,621 -0.31,622 0.239,623 -0.285,624 -0.139,625 -0.012,626 -0.055,627 -0.018,628 -0.111,629 -0.01,630 -0.345,631 0.16,632 -0.398,633 -0.009,634 -0.367,635 -0.194,636 0.059,637 -0.212,638 0.02,639 -0.178,640 0.036,641 -0.098,642 0.173,643 0.146,644 0.383,645 0.28,646 0.22,647 0.361,648 1.546,649 2.027,650 0.615,651 20.899,652 1.007,653 1.14,654 2.154,655 4.639,656 0.647,657 3.367,658 3.714,659 3.989,660 4.263,661 4.489,662 4.522,663 4.564,664 4.605,665 4.682,666 4.7,667 6.059,668 0.62,669 354.46,670 3.367,671 4.92,672 5.778,673 6.671,674 7.546,675 8.442,676 9.323,677 10.22,678 11.104,679 12.001,680 12.5,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,716 2,718 48,719 17,720 1,721 28,723 50,724 18,725 13,726 3,727 3,729 3,730 4,734 1,741 13,742 5,753 1,754 1,757 22,758 8,759 4,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 4,810 26,811 2,816 1,818 2,821 1,829 4.2,834 2,836 14.333,837 9.883,838 5.806,839 2.458,840 3.349,841 1.463,842 0.972,843 5.228,844 10.575,845 3.624,846 4.29,847 4.916,848 5.539,849 6.108,850 6.384,851 6.69,852 7.004,853 7.384,854 7.515,855 0.857,856 44,857 9.509,859 3.892,860 7.75,861 17.953,863 14.042,865 2.25,866 58.5,870 211.88,871 106.7,872 119.275,874 22,877 106.7,878 233.88,879 119.275,880 38.988,881 2.106,882 94.223,883 62.128,884 58.075,885 4.227,886 200.109,888 211.88,889 225.975,890 22,893 213.595,894 22,897 21.877,898 152.026,899 50.357,901 211.88,902 141.275,903 106.7,906 211.88,907 30.236,908 79.588,910 138.151,911 211.88,912 141.275,913 106.7,915 0.585,916 0.355,917 0.194,918 0.109,919 19,920 10,921 0.1,922 5,923 1,924 1.125,925 3.629,926 219.044,927 0.125,928 16,929 114.211,933 18.327,934 7.416,935 3.728,936 1.232,937 141.275,938 7.523,939 12.585,943 4.874,945 65.794,946 459.854,947 36.5,956 48.334,957 54.73,958 0.289,959 0.669,960 0.822,961 0.847,962 0.847,963 0.847,964 4.869,965 1.378,966 5.79,967 5.786,968 4.394,969 4.977,970 1.698,971 6.629,972 4.279,973 6.11,974 1.155,975 7.373,976 3.708,977 4.111,978 4.956,979 0.325,980 7.573,981 3.96,982 7.443,983 0.476,984 9.051,985 3.048,986 6.023,987 7.274,988 1.422,989 10.677,990 5.824,991 8.811,992 0.396,993 10.781,994 0.741,995 6.494,996 8.024,997 0.393,998 12.413,999 6.269,1000 10.206,1001 0.294,1002 12.546,1003 0.665,1004 7.922,1005 9.869,1006 1.2,1007 15.066,1008 7.661,1009 11.623,1010 -0.111,1011 14.335,1012 0.602,1013 8.746,1014 11.001,1015 0.384,1016 17.169,1017 8.465,1018 13.056,1019 -0.399,1020 16.143,1021 -0.289,1022 9.99,1023 12.653,1024 1.01,1025 19.662,1026 9.679,1027 3.218,1028 -0.614,1029 17.967,1030 -1.077,1031 10.985,1032 13.983,1033 0.351,1034 21.936,1035 10.654,1036 2.927,1037 11.242,1038 19.805,1039 -1.545,1040 12.159,1041 15.552,1042 0.845,1043 24.372,1044 11.803,1045 2.574,1046 9.115,1047 21.653,1048 4.616,1049 13.234,1050 16.981,1051 0.312,1052 26.722,1053 12.857,1054 2.33,1055 7.92,1056 23.512,1057 3.875,1058 14.386,1059 18.518,1060 0.702,1061 29.14,1062 13.985,1063 2.061,1064 6.951,1065 25.379,1066 3.416,1067 15.5,1068 19.995,1069 0.273,1070 31.525,1071 15.077,1072 2.032,1073 5.897,1074 27.253,1075 2.865,1076 16.646,1077 21.52,1078 0.579,1079 33.939,1080 16.2,1081 1.962,1082 5.818,1083 29.134,1084 2.838,1085 17.78,1086 23.021,1087 0.236,1088 36.34,1089 17.311,1090 7255,1091 12374,1092 17.918,1093 31.034,1094 41.677,1095 42.693,1096 44.062,1097 41.505,1098 41.603,1099 54.83,1100 5.618,1101 122.986,1102 39.009,1103 5.493,1104 5.342,1105 6.39,1106 5.265,1107 5.218,1108 7.616,1109 1.776,1110 18.519,1111 5.134,1112 15.848,1113 1.488,1114 1.525,1115 1.574,1116 1.482,1117 1.486,1118 1.958,1119 0.201,1120 4.392,1121 1.393,1122 4.076,1123 4.116,1124 4.051,1125 3.963,1126 5.321,1127 3.979,1128 3.923,1129 3.947,1130 3.879,1131 3.822,1132 4.982,1133 3.832,1134 3.571,1135 3.636,1136 3.498,1137 3.379,1138 4.926,1139 3.401,1140 3.352,1141 3.436,1142 3.224,1143 3.111,1144 4.803,1145 3.125,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.166,1153 3.263,1154 3.05,1155 2.933,1156 4.329,1157 2.943,1158 3.125,1159 3.219,1160 2.889,1161 2.862,1162 4.16,1163 2.852,1164 3.023,1165 3.153,1166 2.812,1167 2.706,1168 4.024,1169 2.723,1170 0.166,1171 0.119,1172 0.244,1173 0.15,1174 0.115,1175 4.656,1176 0.165,1177 3.342,1178 0.033,1179 6.837,1180 0.401,1181 4.19,1182 0.112,1183 3.218,1184 4.616,1185 0.916,1186 11.242,1187 3.134,1188 2,1189 1.969,1190 2.066,1191 2.135,1192 1.243,1193 2.114,1194 1.876,1195 1.857,1196 1.964,1197 2.005,1198 1.081,1199 1.993,1200 1.503,1201 1.442,1202 1.692,1203 1.737,1204 0.803,1205 1.726,1206 1.301,1207 1.217,1208 1.59,1209 1.578,1210 0.584,1211 1.587,1212 1.227,1213 1.163,1214 1.583,1215 1.558,1216 0.567,1217 1.565,1218 1.135,1219 1.047,1220 1.523,1221 1.415,1222 0.554,1223 1.453,1224 1.106,1225 1.009,1226 1.447,1227 1.394,1228 0.532,1229 1.408,1230 0.946,1231 0.827,1232 1.263,1233 1.337,1234 0.162,1235 1.341,1236 4.043,1238 5.38,1240 6.919,1242 8.555,1244 10.244,1246 7.227,1250 11.677,1252 0.62,1254 10.684,1257 2.079,1262 29.772,1263 77.402,1264 179.265,1265 220.304,1266 227.059,1267 227.059,1268 227.059,1269 38.562,1270 7.226,1271 112.41,1272 112.41,1273 18,1274 12.527,1275 4.17,1276 3.248,1277 44.332,1278 96,1279 86,1280 0.232,1281 186.591,1282 312.64,1283 447.043,1284 12608,1286 18.845,1287 0.725,1288 0.588,1289 18.845,1290 15.277,1291 12.422,1292 0.444,1293 0.287,1294 7.858,1295 11.737,1296 7.512,1297 6.338,1298 12.422,1299 8.04,1300 11.317,1301 0.283,1302 0.15,1303 11.317,1304 6.001,1305 9.512,1306 0.179,1307 0.081,1308 9.512,1309 4.319,1310 8.04,1311 0.115,1312 0.041,1313 8.04,1314 2.852,1315 6.419,1316 0.073,1317 0.022,1318 6.419,1319 1.916,1320 0.36,1321 79.272,1322 0.236,1323 24.851,1324 0.645,1325 136,1326 418.676,1327 151.998,1328 402.964,1329 555.59,1330 378,1331 161,1332 415.344,1333 176.64,1334 426.084,1335 616.81,1336 394,1337 6.77}
{0 CHEMBL22632,1 1.692,2 14.647,3 2.461,4 6.055,5 124.165,6 7.924,7 0.472,8 4.182,9 4.293,10 3.759,11 3.649,12 5.45,13 3.665,14 4.669,15 4.825,16 4.129,17 4.024,18 6.04,19 4.012,20 4.96,21 5.15,22 4.204,23 4.189,24 6.171,25 4.16,26 5.057,27 5.252,28 4.182,29 4.221,30 6.298,31 4.175,32 5.09,33 5.3,34 4.157,35 4.221,36 6.399,37 4.155,38 5.04,39 5.258,40 4.09,41 4.172,42 6.412,43 4.088,44 4.939,45 5.161,46 3.993,47 4.071,48 6.206,49 3.995,50 4.826,51 5.041,52 3.902,53 3.918,54 6.074,55 3.876,56 0.222,57 0.868,58 11.169,59 4.915,60 34.774,61 6.011,62 0.587,63 1.34,64 20.129,65 8.088,66 89.634,67 10.704,68 0.756,69 1.634,70 29.899,71 10.09,72 104.248,73 13.624,74 0.904,75 1.691,76 34.069,77 11.395,78 136.343,79 15.159,80 1.069,81 1.676,82 36.755,83 12.407,84 176.775,85 16.865,86 1.163,87 1.588,88 35.283,89 12.27,90 173.852,91 16.795,92 0.813,93 1.434,94 31.92,95 11.14,96 139.537,97 15.434,98 0.724,99 1.306,100 28.162,101 8.558,102 99.903,103 11.757,104 79,105 50,106 0.274,107 0.663,108 0.823,109 0.884,110 0.889,111 0.889,112 3.56,113 0.878,114 -3.69,115 -3.66,116 -3.49,119 39,120 1,121 2,125 2,127 1,139 7,140 3,141 1,143 1,144 1,147 1,153 3,157 1,158 1,159 1,161 2,165 2,166 9,167 1,169 1,170 9,172 2,173 6,175 4,176 1,178 8,179 2,182 11,185 1,186 1,187 6,189 4,190 1,193 10,194 1,196 1,197 1,198 7,199 1,200 1,201 6,202 1,203 1,204 2,206 1,207 3,208 2,210 2,211 1,212 4,213 2,215 13,216 2,218 2,220 4,221 2,222 1,224 4,225 1,226 3,229 16,230 3,231 1,233 1,234 3,237 1,239 3,241 8,242 2,246 11,247 1,248 1,249 1,251 7,254 2,255 2,259 1,260 9,263 1,265 6,273 2192,274 22.248,275 22.248,276 22.248,277 22.248,278 22.248,279 19.731,280 26.868,281 12.964,282 22.621,283 17.665,284 17.665,285 17.665,286 17.665,287 17.665,288 13.788,289 31.856,290 6.063,291 18.244,292 4.191,293 1.785,294 0.799,295 0.42,296 0.386,297 0.386,298 4.237,301 1,303 1034,304 4.848,307 346.247,311 185.82,314 2.374,315 54.025,318 0.5,319 0.33,320 0.5,321 0.8,323 0.5,324 0.5,325 0.45,326 76.5,327 498,328 4.542,329 3.777,330 6.503,331 4.05,332 3.085,333 4.491,334 2.375,335 10.183,336 2.983,337 4.239,338 3.592,339 6.188,340 3.912,341 2.931,342 3.801,343 2.341,344 9.183,345 2.882,346 3.989,347 3.521,348 6.079,349 3.758,350 2.798,351 3.297,352 1.061,353 8.787,354 2.678,355 3.829,356 3.211,357 5.817,358 3.566,359 2.572,360 3.168,361 0.916,362 7.843,363 2.534,364 3.709,365 3.088,366 5.297,367 3.299,368 2.333,369 2.993,370 0.172,371 6.806,372 2.254,373 3.524,374 2.542,375 5.062,376 3.178,377 2.172,378 2.811,379 0.14,380 5.804,381 2.154,382 3.428,383 2.221,384 4.973,385 2.968,386 2.036,387 2.695,389 5.761,390 1.891,391 3.37,392 2.178,393 4.645,394 2.901,395 1.956,396 2.685,398 5.121,399 1.838,400 3.001,401 2.112,402 4.415,403 2.621,404 1.639,405 2.076,407 4.274,408 1.597,409 2.6,410 2.007,411 4.091,412 2.287,413 1.306,414 1.584,415 3.37,416 1.266,417 2.5,418 1.477,419 3.709,420 2.077,421 1.066,422 1.5,423 2.565,424 1.065,425 2.455,426 1.114,427 3.607,428 2,429 1.006,430 1.429,431 2.551,432 1,433 2.433,434 1.104,435 3.414,436 1.971,437 1,438 1.324,439 2.275,440 0.965,441 1.591,442 1,443 2.989,444 1.388,445 0.421,446 0.461,448 0.782,449 0.405,450 1.571,451 0.622,452 2.839,453 1.339,454 0.342,455 0.386,457 0.776,458 0.335,459 15.5,460 0.456,461 1,462 0.029,463 44,464 1.294,465 22,466 0.647,467 22,468 0.647,469 28.671,470 0.843,471 37.9,472 0.642,473 39.286,474 1.155,475 8.935,476 0.263,477 7.237,478 0.213,479 0.187,481 0.381,485 0.893,486 1.313,487 0.797,488 1.044,489 0.805,490 0.913,491 0.459,492 1.137,493 0.744,494 1.07,495 0.401,496 0.993,497 0.927,498 1.108,499 0.978,500 1.012,501 0.868,502 0.999,503 1.044,504 1.087,505 1.094,506 1.091,507 1.019,508 1.102,509 0.855,510 1.007,511 0.991,512 1.056,513 0.895,514 1.066,515 0.609,516 0.835,517 0.945,518 1.026,519 0.666,520 1.072,521 0.709,522 1.062,523 0.871,524 1.093,525 0.719,526 1.046,527 1.099,528 1.081,529 1.061,530 1.039,531 1.027,532 1.034,533 8.5,534 0.248,535 4.222,536 2.313,537 2.28,538 1.236,539 0.811,540 0.613,541 0.468,542 0.278,543 17052,544 60313,545 1.96,546 42.4,548 12,551 6,552 2,553 5,555 1.757,556 1.789,557 3.798,558 3.174,560 1,564 99.818,565 1.692,566 4.097,567 5.083,568 5.463,569 5.497,570 5.497,571 3.263,572 4.617,573 5.058,574 4.007,575 2248.02,576 8.852,577 36035.9,582 347.076,583 1.549,584 4.989,585 0.236,586 0.009,587 0.084,588 0.044,589 0.046,590 0.026,591 0.018,592 0.015,593 0.013,594 0.008,595 0.499,596 0.17,597 0.75,598 1.698,599 185.572,600 -0.157,601 -0.066,602 -0.022,603 0.066,604 -0.135,605 0.061,606 0.236,607 0.04,608 0.091,609 -0.009,610 0.219,611 -0.004,612 -0.102,613 -0.027,614 -0.066,615 -0.001,616 -0.082,617 -0.017,618 -0.133,619 -0.066,620 -0.15,621 -0.081,622 -0.114,623 -0.113,624 0.039,625 -0.047,626 -0.023,627 -0.034,628 0.025,629 -0.044,630 0.234,631 0.123,632 0.024,633 -0.002,634 0.178,635 -0.039,636 0.097,637 -0.129,638 0.098,639 -0.051,640 0.102,641 0.01,642 -0.162,643 -0.088,644 -0.081,645 -0.068,646 -0.106,647 -0.053,648 2.96,649 5.446,650 0.471,651 41.702,652 1.022,653 1.134,654 2.465,655 6.076,656 0.65,657 3.611,658 3.932,659 4.143,660 4.357,661 4.585,662 4.635,663 4.718,664 4.787,665 4.905,666 4.89,667 8.515,668 0.638,669 467.53,670 3.611,671 5.153,672 5.984,673 6.853,674 7.705,675 8.576,676 9.436,677 10.308,678 11.173,679 12.046,680 8.5,684 1,686 1,687 1,690 2,694 2,695 7,696 2,700 5,702 17,707 1,711 1,714 1,715 1,718 59,719 20,720 2,721 36,723 61,724 23,725 14,726 5,727 7,728 1,729 3,730 4,734 1,739 3,741 17,742 6,744 3,748 3,751 3,754 1,757 25,758 11,759 6,760 11,764 5,769 0.667,770 6,776 1,781 3,785 1,792 2,800 2,802 2,806 1,810 34,811 1,815 3,816 4,817 1,820 1,821 1,829 10.2,831 3,832 3,836 19,837 10.45,838 7.556,839 3.392,840 3.443,841 1.448,842 0.909,843 8.26,844 11.133,845 3.882,846 4.466,847 4.982,848 5.534,849 6.113,850 6.383,851 6.729,852 7.03,853 7.43,854 7.491,855 0.9,856 53,857 12.628,859 5.475,860 8.25,861 22.888,863 18.312,865 2.75,866 93.5,870 223.651,871 106.708,872 87.603,874 203.485,877 106.708,878 427.136,879 87.603,880 8.825,881 27.291,882 99.231,883 243.58,884 16.969,885 1.899,886 223.651,888 223.651,889 194.311,890 203.485,893 164.795,894 262.34,897 40.16,898 120.58,899 33.571,901 223.651,902 291.088,903 106.708,906 223.651,907 31.549,908 78.283,909 18.011,910 269.953,911 223.651,912 291.088,913 106.708,915 0.583,916 0.329,917 0.169,918 0.096,919 21,920 12,921 0.164,922 10,923 1,924 1.125,925 4.389,926 299.511,927 0.125,928 16,929 168.974,933 25.212,934 11.139,935 6.567,936 1.029,937 291.088,938 12.062,939 7.885,943 1.798,945 178.958,946 621.447,947 47.5,951 34.46,954 -3.03,956 60.309,957 66.9,958 0.288,959 0.696,960 0.864,961 0.929,962 0.934,963 0.934,964 5.119,965 1.956,966 5.984,967 5.761,968 4.615,969 5.153,970 3.11,971 6.774,972 4.554,973 6.334,974 1.639,975 7.541,976 5.121,977 4.29,978 5.056,979 2.903,980 7.647,981 4.194,982 7.643,983 1.306,984 9.191,985 4.274,986 6.201,987 7.337,988 4.388,989 10.69,990 6.081,991 8.981,992 1.066,993 10.895,994 3.37,995 6.621,996 8.005,997 4.832,998 12.337,999 6.468,1000 10.346,1001 1.006,1002 12.631,1003 2.565,1004 8.045,1005 9.831,1006 5.948,1007 14.907,1008 7.87,1009 11.73,1010 1,1011 14.39,1012 2.551,1013 8.809,1014 10.882,1015 6.632,1016 16.893,1017 8.6,1018 13.13,1019 0.421,1020 16.166,1021 2.275,1022 10.036,1023 12.518,1024 7.604,1025 19.287,1026 9.804,1027 3.085,1028 0.342,1029 17.954,1030 0.782,1031 10.968,1032 13.779,1033 8.385,1034 21.43,1035 10.704,1036 2.931,1037 10.183,1038 19.752,1039 0.776,1040 12.113,1041 15.331,1042 9.295,1043 23.755,1044 11.823,1045 2.798,1046 9.183,1047 21.558,1048 4.491,1049 13.127,1050 16.705,1051 10.118,1052 25.974,1053 12.806,1054 2.572,1055 8.787,1056 23.37,1057 3.801,1058 14.239,1059 18.221,1060 11,1061 28.275,1062 13.89,1063 2.333,1064 7.843,1065 25.189,1066 3.297,1067 15.295,1068 19.655,1069 11.843,1070 30.531,1071 14.915,1072 2.172,1073 6.806,1074 27.011,1075 3.168,1076 16.396,1077 21.156,1078 12.712,1079 32.826,1080 15.987,1081 2.036,1082 5.804,1083 28.838,1084 2.993,1085 17.473,1086 22.621,1087 13.563,1088 35.103,1089 17.033,1090 16896,1091 31913,1092 22.887,1093 38.369,1094 53.979,1095 55.695,1096 55.924,1097 53.487,1098 53.388,1099 69.474,1100 14.012,1101 152.286,1102 51.751,1103 5.453,1104 5.777,1105 6.027,1106 5.122,1107 5.085,1108 7.491,1109 3.989,1110 17.077,1111 4.983,1112 22.87,1113 1.499,1114 1.547,1115 1.553,1116 1.486,1117 1.483,1118 1.93,1119 0.389,1120 4.23,1121 1.438,1122 4.078,1123 4.109,1124 4.044,1125 3.988,1126 7.477,1127 3.996,1128 3.946,1129 3.976,1130 3.897,1131 3.861,1132 7.471,1133 3.864,1134 3.764,1135 3.804,1136 3.678,1137 3.589,1138 7.428,1139 3.601,1140 3.595,1141 3.655,1142 3.509,1143 3.41,1144 6.476,1145 3.424,1146 3.456,1147 3.505,1148 3.395,1149 3.243,1150 6.352,1151 3.259,1152 3.419,1153 3.454,1154 3.305,1155 3.167,1156 6.35,1157 3.204,1158 3.2,1159 3.221,1160 3.114,1161 2.962,1162 5.205,1163 2.99,1164 3.077,1165 3.127,1166 2.99,1167 2.896,1168 4.76,1169 2.908,1170 0.126,1171 0.105,1172 0.181,1173 0.113,1174 0.086,1175 4.542,1176 0.125,1177 3.777,1178 0.066,1179 6.503,1180 0.283,1181 4.05,1182 0.083,1183 3.085,1184 4.491,1185 2.375,1186 10.183,1187 2.983,1188 2.019,1189 1.994,1190 2.093,1191 2.128,1192 1.261,1193 2.117,1194 1.914,1195 1.889,1196 2.01,1197 2.026,1198 1.22,1199 2.021,1200 1.705,1201 1.663,1202 1.9,1203 1.909,1204 1.118,1205 1.903,1206 1.553,1207 1.488,1208 1.809,1209 1.764,1210 0.965,1211 1.775,1212 1.384,1213 1.32,1214 1.565,1215 1.617,1216 0.698,1217 1.613,1218 1.302,1219 1.279,1220 1.47,1221 1.607,1222 0.582,1223 1.561,1224 1.093,1225 1.057,1226 1.339,1227 1.371,1228 0.326,1229 1.352,1230 1.009,1231 0.972,1232 1.213,1233 1.287,1234 0.229,1235 1.253,1236 4.29,1238 5.609,1240 7.111,1242 8.698,1244 10.334,1246 1.975,1250 5.571,1251 28.05,1252 0.59,1253 2.357,1256 -1.293,1257 2.047,1262 37.664,1263 99.818,1264 241.734,1265 299.915,1266 322.321,1267 324.321,1268 324.321,1269 102.782,1270 7.69,1271 178.97,1272 178.97,1273 18,1274 12.589,1275 4.392,1276 3.644,1277 67.684,1278 175,1279 162,1280 0.187,1281 234.962,1282 415.38,1283 565.066,1284 24480,1286 24.828,1287 0.73,1288 0.542,1289 24.828,1290 18.433,1291 16.172,1292 0.449,1293 0.293,1294 10.358,1295 15.416,1296 10.163,1297 8.408,1298 16.172,1299 10.532,1300 14.924,1301 0.298,1302 0.152,1303 14.924,1304 7.615,1305 11.547,1306 0.186,1307 0.085,1308 11.547,1309 5.257,1310 9.232,1311 0.12,1312 0.045,1313 9.232,1314 3.472,1315 7.466,1316 0.077,1317 0.024,1318 7.466,1319 2.326,1320 0.302,1321 102.584,1322 0.209,1323 31.976,1324 0.489,1325 172,1326 606.236,1327 195.054,1328 579.013,1329 757.89,1330 532,1331 198,1332 534.268,1333 217.736,1334 536.074,1335 777.03,1336 503,1337 8.411}
{0 CHEMBL22672,1 1.688,2 10,3 1.763,4 3.109,5 81.524,6 9.145,7 0.739,8 3.644,9 3.782,10 3.368,11 3.161,12 4.9,13 3.179,14 4.08,15 4.244,16 3.748,17 3.513,18 5.369,19 3.51,20 4.279,21 4.479,22 3.763,23 3.582,24 5.514,25 3.554,26 4.231,27 4.455,28 3.523,29 3.455,30 5.433,31 3.392,32 4.149,33 4.394,34 3.351,35 3.331,36 5.249,37 3.262,38 4.055,39 4.307,40 3.211,41 3.233,42 5.15,43 3.147,44 3.893,45 4.142,46 3.117,47 3.117,48 4.929,49 3.038,50 3.649,51 3.848,52 3.193,53 2.99,54 4.891,55 2.946,56 0.111,57 0.57,58 4.755,59 2.116,60 12.964,61 2.5,62 0.227,63 0.829,64 8.712,65 3.789,66 20.735,67 4.753,68 0.365,69 0.913,70 14.639,71 4.475,72 31.322,73 5.612,74 0.363,75 0.824,76 14.86,77 4.665,78 36.466,79 6.126,80 0.3,81 0.739,82 13.053,83 4.137,84 32.084,85 5.721,86 0.32,87 0.646,88 13.259,89 3.858,90 31.816,91 5.182,92 0.248,93 0.537,94 13.334,95 3.526,96 24.868,97 4.737,98 0.17,99 0.462,100 7.464,101 2.562,102 16.851,103 3.357,104 10,105 32,106 0.31,107 0.686,108 0.804,109 0.849,110 0.849,111 0.849,112 3.102,113 0.852,114 -3.66,115 -3.63,116 -3.45,119 39.4,125 1,139 4,141 2,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 2,169 2,172 3,173 3,175 2,178 4,181 3,184 1,185 2,187 2,189 4,192 1,195 3,196 4,197 1,200 2,205 1,207 2,209 1,210 1,212 1,221 4,224 2,225 1,228 1,234 2,246 5,250 1,251 2,253 1,256 2,260 5,265 2,270 2,273 544,274 14.033,275 14.033,276 14.033,277 14.033,278 14.033,279 11.92,280 17.638,281 8.242,282 14.515,283 11.354,284 11.354,285 11.354,286 11.354,287 11.354,288 8.221,289 23.989,290 3.965,291 12.224,292 3.357,293 1.31,294 0.667,295 0.424,296 0.424,297 0.424,298 3.784,299 1,300 1,301 1,302 1,303 452,304 2.345,307 172.441,311 89.815,314 1.429,315 20.373,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 45.833,327 210,328 4.541,329 3.132,330 6.502,331 4.021,332 3.079,333 4.491,334 0.657,335 10.175,336 2.899,337 4.016,338 2.955,339 5.447,340 3.583,341 2.632,342 3.616,344 7.253,345 2.497,346 3.768,347 2.708,348 5.277,349 3.338,350 2.399,351 3.232,353 6.783,354 2.252,355 3.444,356 2.41,357 5.062,358 3,359 2.104,360 2.811,362 5.811,363 1.887,364 3.422,365 2.17,366 4.973,367 2.937,368 2.02,369 2.744,371 5.781,372 1.813,373 3.338,374 2.035,375 4.873,376 2.86,377 1.938,378 2.645,380 5.619,381 1.73,382 2.5,383 1.078,384 3.71,385 2,386 1.009,387 1.5,389 2.565,390 1,391 2.454,392 1.046,393 3.414,394 1.921,395 1,396 1.435,398 2.275,399 0.918,400 1.964,401 1,402 3.266,403 1.686,404 0.771,405 0.888,407 1.81,408 0.693,409 1.419,410 0.471,411 2.742,412 0.986,413 0.087,414 0.111,415 0.211,416 0.075,417 1.068,418 0.096,419 2.57,420 0.63,421 -0.233,422 -0.288,423 -0.526,424 -0.173,425 0.957,426 -0.294,427 2.432,428 0.459,429 -0.448,430 -0.578,431 -1.155,432 -0.404,433 0.59,434 -0.444,435 2.106,436 0.13,437 -0.778,438 -0.936,439 -1.975,440 -0.659,441 0.5,442 -0.726,443 2,444 0.107,445 -0.816,446 -1.11,448 -2.38,449 -0.754,450 0.44,451 -0.865,452 1.691,454 -1,455 -1.405,457 -2.876,458 -0.927,459 10.014,460 0.477,461 0.558,462 0.027,463 32.25,464 1.536,465 17.5,466 0.833,467 14.75,468 0.702,469 12.16,470 0.579,471 21.786,472 0.66,473 20.897,474 0.995,475 6.386,476 0.304,477 3.728,478 0.178,479 0.151,481 0.35,485 1.059,486 1.34,487 0.595,488 0.794,489 1.195,490 0.723,491 0.684,492 1.126,493 0.614,494 0.908,495 0.512,496 0.857,497 1.1,498 1.042,499 1.043,500 0.996,501 0.951,502 0.998,503 0.887,504 0.946,505 1.033,506 1.121,507 0.811,508 1.159,509 0.843,510 1.08,511 0.731,512 1.024,513 0.934,514 1.074,515 1.029,516 0.762,517 0.974,518 0.898,519 1.117,520 1.031,521 1.168,522 0.871,523 1.1,524 0.879,525 1.049,526 0.89,527 0.792,528 1.118,529 0.8,530 1.022,531 0.809,532 0.983,533 5,534 0.124,535 2.222,536 1.063,537 1.44,538 0.41,539 0.221,540 0.311,541 0.164,542 0.107,543 4651,544 16021,545 2.074,546 36.4,548 6,550 1,551 5,555 1.626,556 1.938,557 3.278,558 2.892,560 1,562 1,564 55.688,565 1.688,566 3.735,567 4.378,568 4.62,569 4.62,570 4.62,571 2.72,572 3.88,573 4.364,574 3.401,575 714.26,576 7.447,577 7655.78,578 1,579 1,581 1,582 166.465,583 1.418,584 4.322,585 0.217,586 0.014,587 0.069,588 0.034,589 0.06,590 0.02,591 0.013,592 0.019,593 0.01,594 0.008,595 0.466,596 0.33,597 1,598 0.61,599 95.864,600 -0.27,601 -0.141,602 -0.019,603 0.077,604 -0.355,605 0.085,606 0.155,608 0.077,609 -0.004,610 0.217,611 0.008,612 -0.089,613 0.004,614 -0.14,615 -0.082,616 -0.078,617 -0.11,618 0.057,619 0.038,620 -0.157,621 -0.184,622 0.098,623 -0.211,624 -0.011,625 -0.135,626 0.01,627 -0.094,628 -0.033,629 -0.082,630 -0.096,631 0.171,632 -0.099,633 0.048,634 -0.186,635 -0.038,636 -0.214,637 0.015,638 -0.044,639 0.142,640 -0.167,641 0.161,642 0.104,643 -0.118,644 0.105,645 -0.048,646 0.151,647 -0.021,648 1.582,649 1.781,650 0.762,651 16.29,652 1.021,653 1.142,654 2.427,655 5.89,656 0.702,657 3.178,658 3.497,659 3.714,660 3.951,661 4.205,662 4.159,663 4.174,664 4.277,665 4.369,666 4.317,667 5.72,668 0.684,669 301.77,670 3.178,671 4.71,672 5.541,673 6.409,674 7.258,675 8.127,676 8.983,677 9.853,678 10.714,679 11.586,680 21.2,684 2,685 1,690 4,694 2,695 5,696 4,700 5,702 17,711 2,712 1,717 1,718 33,719 17,720 1,721 23,723 35,724 13,725 12,726 2,727 4,729 3,730 4,731 1,741 12,742 1,753 1,754 1,757 12,758 7,759 5,760 8,761 1,764 7,769 0.667,774 1,776 1,781 3,785 1,802 2,807 1,810 21,811 2,816 1,817 1,828 1,836 10.833,837 5.776,838 4.556,839 1.695,840 3.298,841 1.484,842 1.026,843 3.73,844 10.109,845 3.481,846 4.143,847 4.734,848 5.334,849 5.941,850 6.131,851 6.427,852 6.799,853 7.204,854 7.214,855 0.857,856 31,857 7.645,859 3.214,860 7.87,861 14.209,863 11.273,865 2.37,866 49.778,870 82.398,871 66.159,872 150.947,873 39.149,877 66.159,878 121.546,879 150.947,881 2.106,882 103.699,883 96.924,884 21.921,885 4.227,886 70.627,887 39.149,888 82.398,889 217.106,891 39.149,893 84.113,897 17.953,898 112.285,899 124.302,901 82.398,902 150.947,903 105.307,906 82.398,907 19.206,908 46.952,909 18.011,910 172.085,911 82.398,912 150.947,913 105.307,915 0.586,916 0.329,917 0.173,918 0.101,919 16,920 7,921 0.086,922 3,923 1,924 1.125,925 3.403,926 157.042,927 0.125,928 16,929 88.239,933 13.798,934 5.676,935 3.123,936 0.829,937 150.947,938 9.01,939 16.448,943 2.647,945 83.805,946 338.652,947 31.5,956 33.687,957 37.678,958 0.335,959 0.74,960 0.868,961 0.916,962 0.916,963 0.916,964 4.694,965 1,966 5.525,967 2.565,968 4.174,969 4.828,970 0.623,971 6.293,972 4.032,973 5.923,974 0.771,975 7.059,976 2.275,977 3.761,978 4.691,980 7.081,981 3.517,982 7.235,983 0.087,984 8.684,985 1.81,986 5.733,987 7.104,988 0.317,989 10.141,990 5.469,991 8.581,992 -0.233,993 10.361,994 0.211,995 6.066,996 7.744,998 11.738,999 5.712,1000 9.953,1001 -0.448,1002 12.073,1003 -0.526,1004 7.541,1005 9.654,1006 0.149,1007 14.336,1008 7.164,1009 11.345,1010 -0.778,1011 13.81,1012 -1.155,1013 8.245,1014 10.698,1016 16.322,1017 7.791,1018 12.755,1019 -0.816,1020 15.568,1021 -1.975,1022 9.506,1023 12.383,1024 0.067,1025 18.75,1026 9.019,1027 3.079,1028 -1,1029 17.342,1030 -2.38,1031 10.409,1032 13.65,1034 20.923,1035 9.851,1036 2.632,1037 10.175,1038 19.131,1039 -2.876,1040 11.576,1041 15.229,1042 0.03,1043 23.286,1044 10.976,1045 2.399,1046 7.253,1047 20.933,1048 4.491,1049 12.583,1050 16.612,1052 25.541,1053 11.917,1054 2.104,1055 6.783,1056 22.746,1057 3.616,1058 13.713,1059 18.144,1060 0.013,1061 27.878,1062 12.997,1063 2.02,1064 5.811,1065 24.569,1066 3.232,1067 14.774,1068 19.587,1070 30.17,1071 13.993,1072 1.938,1073 5.781,1074 26.399,1075 2.811,1076 15.891,1077 21.098,1078 0.006,1079 32.497,1080 15.056,1081 1.009,1082 5.619,1083 28.237,1084 2.744,1085 16.979,1086 22.57,1088 34.804,1089 16.082,1090 4506,1091 8474,1092 15.315,1093 23.182,1094 34.34,1095 34.671,1096 34.962,1097 34.228,1098 34.079,1099 46.945,1100 1.315,1101 96.565,1102 31.527,1103 5.363,1104 5.132,1105 5.916,1106 5.102,1107 5.079,1108 7.491,1109 1.315,1110 17.069,1111 4.899,1112 9.979,1113 1.493,1114 1.507,1115 1.52,1116 1.488,1117 1.482,1118 2.041,1119 0.057,1120 4.198,1121 1.371,1122 4.034,1123 4.086,1124 4.029,1125 3.879,1126 5.342,1127 3.901,1128 3.894,1129 3.925,1130 3.973,1131 3.809,1132 4.99,1133 3.816,1134 3.519,1135 3.588,1136 3.5,1137 3.331,1138 4.95,1139 3.351,1140 3.164,1141 3.254,1142 3.32,1143 2.933,1144 4.862,1145 2.95,1146 3.1,1147 3.218,1148 2.993,1149 2.78,1150 4.417,1151 2.821,1152 2.854,1153 2.925,1154 2.915,1155 2.735,1156 4.203,1157 2.715,1158 2.812,1159 2.871,1160 2.687,1161 2.662,1162 4.047,1163 2.663,1164 2.582,1165 2.699,1166 2.487,1167 2.308,1168 3.777,1169 2.312,1170 0.197,1171 0.136,1172 0.283,1173 0.175,1174 0.134,1175 4.541,1176 0.195,1177 3.132,1178 0.029,1179 6.502,1180 0.442,1181 4.021,1182 0.126,1183 3.079,1184 4.491,1185 0.657,1186 10.175,1187 2.899,1188 1.927,1189 1.887,1190 1.998,1191 2.113,1192 1.096,1193 2.076,1194 1.867,1195 1.836,1196 1.929,1197 1.969,1198 0.976,1199 1.974,1200 1.451,1201 1.389,1202 1.611,1203 1.676,1204 0.714,1205 1.664,1206 1.069,1207 0.989,1208 1.293,1209 1.387,1210 0.218,1211 1.373,1212 0.98,1213 0.873,1214 1.255,1215 1.36,1216 0.2,1217 1.341,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.047,1223 1.107,1224 0.759,1225 0.706,1226 0.96,1227 0.975,1229 0.985,1230 0.535,1231 0.425,1232 0.884,1233 0.851,1235 0.872,1236 3.85,1238 5.165,1240 6.673,1242 8.274,1244 9.923,1247 5.836,1250 11.298,1252 0.494,1253 3.216,1262 22.558,1263 55.688,1264 123.246,1265 144.465,1266 152.465,1267 152.465,1268 152.465,1269 25.886,1270 6.811,1271 115.63,1272 115.63,1273 18,1274 12.13,1275 4.17,1276 3.248,1277 32.418,1278 72,1279 73,1280 0.222,1281 145.764,1282 234.77,1283 347.425,1284 7763,1285 3,1286 14.82,1287 0.706,1288 0.556,1289 15.32,1290 11.671,1291 10.114,1292 0.44,1293 0.284,1294 6.086,1295 9.412,1296 5.952,1297 4.928,1298 10.403,1299 6.535,1300 9.36,1301 0.293,1302 0.15,1303 9.768,1304 4.797,1305 7.485,1306 0.187,1307 0.077,1308 7.774,1309 3.071,1310 6.123,1311 0.12,1312 0.038,1313 6.289,1314 1.954,1315 5.137,1316 0.078,1317 0.021,1318 5.372,1319 1.357,1320 0.351,1321 66.571,1322 0.256,1323 21.037,1324 0.599,1325 110,1326 341.741,1327 137.453,1328 370.045,1329 500.73,1330 344,1331 127,1332 356.159,1333 148.748,1334 371.288,1335 539.79,1336 349,1337 6.523}
{0 CHEMBL22677,1 1.739,2 9.955,3 3.276,4 10.732,5 92.179,6 9.218,7 0.708,8 3.701,9 3.821,10 3.492,11 3.343,12 4.902,13 3.294,14 4.154,15 4.306,16 3.885,17 3.731,18 5.356,19 3.648,20 4.322,21 4.472,22 3.962,23 3.855,24 5.452,25 3.753,26 4.404,27 4.588,28 3.848,29 3.801,30 5.563,31 3.661,32 4.442,33 4.701,34 3.67,35 3.679,36 5.436,37 3.516,38 4.212,39 4.458,40 3.495,41 3.501,42 5.191,43 3.364,44 4.09,45 4.314,46 3.295,47 3.429,48 5.081,49 3.278,50 4,51 4.25,52 3.306,53 3.262,54 5.028,55 3.143,56 0.062,57 0.576,58 5.516,59 2.884,60 10.689,61 3.327,62 0.186,63 0.892,64 13.164,65 5.692,66 20.017,67 6.627,68 0.156,69 1.022,70 17.022,71 6.56,72 17.608,73 7.265,74 0.26,75 1.107,76 20.336,77 7.553,78 31.465,79 8.726,80 0.348,81 1.076,82 26.619,83 7.591,84 41.246,85 8.537,86 0.209,87 0.847,88 16.611,89 5.73,90 25.509,91 7.459,92 0.165,93 0.714,94 17.163,95 5.763,96 22.021,97 7.02,98 0.141,99 0.646,100 13.45,101 4.738,102 19.555,103 6.281,104 17,105 34,106 0.314,107 0.693,108 0.799,109 0.839,110 0.839,111 0.839,112 3.147,113 0.995,114 -5.18,115 -5.07,116 -4.75,119 41.7,120 1,125 1,139 4,140 3,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 5,169 2,170 4,172 3,173 3,175 1,178 10,180 1,182 3,187 1,189 7,191 1,192 1,193 6,195 3,196 3,197 1,198 3,200 2,201 4,204 3,205 1,212 1,215 5,218 1,221 4,226 3,229 6,231 3,234 2,241 5,246 4,251 3,254 1,256 3,260 5,265 2,268 2,270 2,273 620,274 14.585,275 14.585,276 14.585,277 14.585,278 14.585,279 12.4,280 14.062,281 8.455,282 15.14,283 11.811,284 11.811,285 11.811,286 11.811,287 11.811,288 8.59,289 14.972,290 4.019,291 12.783,292 3.431,293 1.333,294 0.743,295 0.521,296 0.521,297 0.521,298 3.825,299 1,300 1,301 1,302 1,303 469,304 2.449,307 179.896,311 94.266,314 1.417,315 17.643,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 46.833,327 219,328 4.654,329 4.437,330 6.835,331 4.184,332 3.212,333 4.616,334 3.272,335 11.231,336 3.126,337 4.02,338 3.323,339 5.805,340 3.562,341 2.642,342 3.617,344 7.884,345 2.432,346 3.896,347 2.982,348 5.406,349 3.461,350 2.514,351 3.406,353 7.122,354 2.352,355 3.46,356 2.831,357 5.096,358 3.003,359 2.118,360 2.861,362 5.923,363 1.907,364 3.434,365 2.451,366 5.009,367 2.929,368 2.026,369 2.746,371 5.802,372 1.819,373 3.354,374 2.101,375 4.884,376 2.879,377 1.963,378 2.659,380 5.653,381 1.682,382 2.707,383 1.997,384 4.244,385 2.308,386 1.361,387 1.777,389 3.545,390 1.283,391 2.5,392 1.492,393 3.414,394 2,395 1,396 1.5,398 2.275,399 1,400 2.044,401 1.015,402 3.346,403 1.684,404 0.834,405 0.976,407 1.944,408 0.686,409 1.454,410 1,411 2.84,412 1.025,413 0.149,414 0.185,415 0.356,416 0.123,417 1.197,418 0.442,419 2.809,420 0.837,421 -0.11,422 -0.136,423 -0.286,424 -0.102,425 1.062,426 0.108,427 2.586,428 0.578,429 -0.27,430 -0.337,431 -0.617,432 -0.198,433 0.841,434 -0.016,435 2.17,436 0.41,437 -0.48,438 -0.596,439 -1.187,440 -0.422,441 0.5,442 -0.294,443 2,444 0.106,445 -0.794,446 -0.973,448 -2.022,449 -0.682,450 0.442,451 -0.578,452 2,454 -1,455 -1.34,457 -2.837,458 -0.843,459 11.048,460 0.502,461 0.63,462 0.029,463 31.75,464 1.443,465 17.5,466 0.795,467 14.25,468 0.648,469 16.147,470 0.734,471 22.552,472 0.626,473 20.257,474 0.921,475 5.973,476 0.271,477 4.569,478 0.208,479 0.182,481 0.362,485 0.946,486 1.057,487 0.632,488 0.709,489 1.155,490 0.724,491 0.497,492 0.808,493 0.794,494 0.888,495 0.413,496 0.787,497 1.113,498 1.214,499 1.132,500 1.129,501 0.947,502 1.049,503 0.744,504 1.203,505 1.16,506 1.373,507 0.694,508 1.305,509 1.208,510 0.847,511 0.884,512 0.869,513 1.249,514 0.948,515 0.739,516 0.958,517 0.654,518 0.891,519 0.88,520 0.947,521 0.94,522 0.984,523 1.092,524 1.105,525 1.004,526 1.116,527 0.758,528 1.031,529 0.602,530 0.792,531 0.766,532 0.872,533 5,534 0.124,535 2.667,536 1.75,537 1.591,538 0.639,539 0.303,540 0.326,541 0.209,542 0.107,543 5008,544 16754,545 2.043,546 38.9,547 3,548 6,550 1,551 4,555 1.642,556 1.886,557 3.251,558 1.914,559 1,560 1,562 1,564 62.601,565 1.739,566 3.837,567 4.427,568 4.649,569 4.649,570 4.649,571 2.716,572 3.971,573 4.43,574 3.385,575 781.901,576 7.595,577 8536.49,578 1,579 1,580 1,581 1,582 186.117,583 1.495,584 4.376,585 0.208,586 0.014,587 0.078,588 0.05,589 0.055,590 0.029,591 0.015,592 0.018,593 0.012,594 0.008,595 0.488,596 0.17,597 1,598 0.65,599 101.349,600 -0.183,601 0.058,602 0.009,603 0.13,604 -0.294,605 0.094,606 0.287,607 0.265,608 0.061,609 0.109,610 0.298,611 0.127,612 -0.211,613 -0.156,614 -0.162,615 -0.12,616 -0.15,617 -0.142,618 0.133,619 -0.171,620 -0.197,621 -0.334,622 0.173,623 -0.359,624 -0.262,625 0.166,626 0.004,627 0.137,628 -0.26,629 0.038,630 0.022,631 -0.03,632 0.132,633 0.053,634 -0.046,635 0.068,636 -0.113,637 -0.08,638 -0.138,639 -0.111,640 -0.158,641 -0.089,642 0.083,643 -0.157,644 0.211,645 0.095,646 0.118,647 0.152,648 1.528,649 1.958,650 0.727,651 17.273,652 1.009,653 1.123,654 3.952,655 15.622,656 0.732,657 3.219,658 3.555,659 3.807,660 4.06,661 4.277,662 4.29,663 4.277,664 4.394,665 4.466,666 4.431,667 5.658,668 0.688,669 331.86,670 3.219,671 4.762,672 5.609,673 6.491,674 7.354,675 8.24,676 9.111,677 9.999,678 10.875,679 11.766,680 13.9,684 2,690 3,694 2,695 5,696 3,700 6,702 17,711 2,717 1,718 36,719 17,720 1,721 24,723 38,724 15,725 13,726 2,727 4,729 3,730 4,731 1,734 1,741 13,742 2,753 1,754 1,757 14,758 5,759 4,760 7,761 2,764 5,769 0.667,775 1,776 1,781 3,785 1,802 2,803 1,804 1,806 1,807 1,810 22,811 2,816 1,819 1,828 1,836 11.667,837 6.743,838 4.778,839 1.908,840 3.316,841 1.48,842 1.017,843 4.272,844 10.217,845 3.512,846 4.19,847 4.804,848 5.414,849 5.996,850 6.239,851 6.52,852 6.908,853 7.282,854 7.359,855 0.857,856 35,857 8.041,859 3.371,860 7.763,861 15.22,863 12.295,865 2.263,866 49.778,870 117.711,871 108.835,872 116.151,873 39.149,876 32.22,877 76.615,878 156.86,879 116.151,880 8.825,881 0.9,882 103.699,883 62.128,884 24.758,885 4.227,886 138.159,887 39.149,888 117.711,889 192.766,891 71.368,893 119.426,897 20.671,898 120.023,899 89.505,900 32.22,901 117.711,902 116.151,903 147.983,906 117.711,907 53.057,908 55.778,910 155.3,911 117.711,912 116.151,913 147.983,915 0.59,916 0.342,917 0.182,918 0.1,919 17,920 8,921 0.079,922 3,923 1,924 1.125,925 3.412,926 170.954,927 0.125,928 16,929 94.107,930 1,933 15.192,934 6.186,935 3.232,936 1.297,937 116.151,938 9.56,939 12.48,943 4.503,945 65.794,946 381.845,947 32.5,956 36.327,957 40.432,958 0.336,959 0.742,960 0.856,961 0.899,962 0.899,963 0.899,964 4.738,965 1,966 5.609,967 3.545,968 4.234,969 4.875,970 3.11,971 6.422,972 4.09,973 5.98,974 0.834,975 7.174,976 2.275,977 3.892,978 4.808,980 7.334,981 3.681,982 7.307,983 0.149,984 8.836,985 1.944,986 5.832,987 7.179,988 5.44,989 10.437,990 5.59,991 8.669,992 -0.11,993 10.555,994 0.356,995 6.256,996 7.899,998 12.192,999 5.982,1000 10.06,1001 -0.27,1002 12.313,1003 -0.286,1004 7.707,1005 9.777,1006 7.807,1007 14.851,1008 7.406,1009 11.473,1010 -0.48,1011 14.099,1012 -0.617,1013 8.503,1014 10.895,1016 16.989,1017 8.191,1018 12.905,1019 -0.794,1020 15.908,1021 -1.187,1022 9.761,1023 12.566,1024 10.177,1025 19.495,1026 9.426,1027 3.212,1028 -1,1029 17.736,1030 -2.022,1031 10.744,1032 13.894,1034 21.799,1035 10.401,1036 2.642,1037 11.231,1038 19.581,1039 -2.837,1040 11.929,1041 15.476,1042 12.548,1043 24.249,1044 11.566,1045 2.514,1046 7.884,1047 21.439,1048 4.616,1049 13.004,1050 16.907,1052 26.621,1053 12.629,1054 2.118,1055 7.122,1056 23.308,1057 3.617,1058 14.164,1059 18.454,1060 14.919,1061 29.051,1062 13.77,1063 2.026,1064 5.923,1065 25.186,1066 3.406,1067 15.283,1068 19.936,1070 31.45,1071 14.873,1072 1.963,1073 5.802,1074 27.073,1075 2.861,1076 16.439,1077 21.469,1078 17.29,1079 33.873,1080 16.009,1081 1.361,1082 5.653,1083 28.965,1084 2.746,1085 17.579,1086 22.975,1088 36.284,1089 17.13,1090 4888,1091 9049,1092 15.72,1093 26.341,1094 35.964,1095 39.322,1096 37.092,1097 35.738,1098 35.64,1099 48.689,1100 6.545,1101 103.468,1102 32.82,1103 5.481,1104 6.437,1105 6.249,1106 5.293,1107 5.212,1108 7.616,1109 6.545,1110 18.466,1111 5.126,1112 11.595,1113 1.498,1114 1.638,1115 1.545,1116 1.489,1117 1.485,1118 2.029,1119 0.273,1120 4.311,1121 1.367,1122 4.067,1123 4.105,1124 4.115,1125 3.973,1126 5.321,1127 3.976,1128 3.879,1129 3.897,1130 4,1131 3.848,1132 4.981,1133 3.827,1134 3.533,1135 3.595,1136 3.72,1137 3.391,1138 4.937,1139 3.385,1140 3.184,1141 3.276,1142 3.39,1143 3.072,1144 4.803,1145 3.008,1146 3.081,1147 3.154,1148 3.055,1149 2.915,1150 4.318,1151 2.913,1152 3.023,1153 3.14,1154 3.026,1155 2.735,1156 4.176,1157 2.723,1158 2.854,1159 2.925,1160 2.81,1161 2.707,1162 4.021,1163 2.715,1164 2.795,1165 2.836,1166 2.687,1167 2.655,1168 3.674,1169 2.652,1170 0.194,1171 0.185,1172 0.285,1173 0.174,1174 0.134,1175 4.654,1176 0.192,1177 4.437,1178 0.136,1179 6.835,1180 0.468,1181 4.184,1182 0.13,1183 3.212,1184 4.616,1185 3.272,1186 11.231,1187 3.126,1188 1.995,1189 1.967,1190 2.047,1191 2.124,1192 1.23,1193 2.104,1194 1.866,1195 1.849,1196 1.936,1197 1.921,1198 1.06,1199 1.946,1200 1.468,1201 1.415,1202 1.606,1203 1.679,1204 0.732,1205 1.672,1206 1.173,1207 1.096,1208 1.487,1209 1.416,1210 0.559,1211 1.445,1212 1.004,1213 0.949,1214 1.263,1215 1.34,1216 0.218,1217 1.341,1218 0.946,1219 0.826,1220 1.195,1221 1.23,1222 0.186,1223 1.257,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1228 0.042,1229 1.107,1230 0.75,1231 0.703,1232 0.91,1233 0.909,1235 0.939,1236 3.892,1238 5.22,1240 6.749,1242 8.375,1244 10.054,1246 1.998,1247 5.892,1250 11.561,1252 0.778,1255 1.709,1262 24.756,1263 62.601,1264 138.143,1265 159.362,1266 167.362,1267 167.362,1268 167.362,1269 29.492,1270 6.902,1271 90.71,1272 116.01,1273 18,1274 12.297,1275 4.17,1276 3.248,1277 34.625,1278 74,1279 80,1280 0.231,1281 162.491,1282 265.88,1283 388.239,1284 8522,1285 2.8,1286 15.69,1287 0.713,1288 0.611,1289 16.543,1290 13.449,1291 10.542,1292 0.439,1293 0.332,1294 6.65,1295 9.486,1296 6.316,1297 5.245,1298 11.285,1299 7.963,1300 9.791,1301 0.288,1302 0.185,1303 10.777,1304 6.302,1305 8.021,1306 0.182,1307 0.106,1308 8.986,1309 4.655,1310 6.765,1311 0.119,1312 0.057,1313 7.622,1314 3.238,1315 5.233,1316 0.074,1317 0.033,1318 6.262,1319 2.334,1320 0.362,1321 72.815,1322 0.252,1323 21.732,1324 0.637,1325 116,1326 330.624,1327 161.961,1328 382.146,1329 516.62,1330 356,1331 136,1332 349.709,1333 171.792,1334 380.804,1335 555.37,1336 357,1337 6.432}
{0 CHEMBL227009,1 1.744,2 8.708,3 3.124,4 9.757,5 97.928,6 8.034,7 0.615,8 3.879,9 4.002,10 3.546,11 3.389,12 5.054,13 3.367,14 4.361,15 4.53,16 3.941,17 3.758,18 5.491,19 3.712,20 4.462,21 4.616,22 4.078,23 3.907,24 5.55,25 3.837,26 4.549,27 4.698,28 4.086,29 3.965,30 5.682,31 3.864,32 4.707,33 4.928,34 3.905,35 3.957,36 5.721,37 3.813,38 4.639,39 4.879,40 3.734,41 3.818,42 5.573,43 3.706,44 4.519,45 4.71,46 3.651,47 3.708,48 5.571,49 3.649,50 4.564,51 4.795,52 3.501,53 3.65,54 5.616,55 3.55,56 0.087,57 0.676,58 9.002,59 3.743,60 11.495,61 4.561,62 0.345,63 1.014,64 18.116,65 6.636,66 28.787,67 7.994,68 0.253,69 1.174,70 21.967,71 7.68,72 17.669,73 8.778,74 0.303,75 1.292,76 23.921,77 8.778,78 25.062,79 10.192,80 0.535,81 1.379,82 33.061,83 9.246,84 41.095,85 11.689,86 0.372,87 1.166,88 29.144,89 8.918,90 31.317,91 11.731,92 0.416,93 1.021,94 21.394,95 6.976,96 31.065,97 8.833,98 0.454,99 1.025,100 21.283,101 6.993,102 39.961,103 9.845,104 35,105 37,106 0.305,107 0.666,108 0.781,109 0.824,110 0.841,111 0.865,112 3.229,113 0.948,114 -3.73,115 -3.69,116 -3.51,119 37.2,120 1,121 1,124 2,139 3,140 2,141 3,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 4,169 1,170 5,172 3,173 4,175 4,178 5,180 1,182 6,187 2,189 5,191 1,193 4,195 1,196 2,197 3,198 4,200 4,201 3,204 2,205 1,206 1,207 4,210 1,212 4,215 3,218 3,221 4,224 1,226 3,229 4,231 2,233 1,234 5,239 2,241 3,243 2,245 2,246 3,248 1,249 1,251 2,254 1,256 2,259 1,260 1,262 2,263 2,265 2,270 2,273 776,274 16.282,275 16.282,276 16.282,277 16.282,278 16.282,279 14.33,280 19.664,281 9.318,282 17.034,283 12.636,284 12.636,285 12.636,286 12.636,287 12.636,288 9.48,289 20.988,290 4.153,291 13.717,292 3.682,293 1.609,294 0.954,295 0.704,296 0.611,297 0.471,298 3.906,300 1,301 1,302 1,303 439,304 2.915,306 47.416,307 137.506,310 92.955,314 1.174,315 21.28,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52.5,327 209,328 4.712,329 4.597,330 6.923,331 4.237,332 3.281,333 4.684,334 2.95,335 11.659,336 3.141,337 4.272,338 3.457,339 6.199,340 3.835,341 2.906,342 3.917,343 0.86,344 9.274,345 2.69,346 3.849,347 3.022,348 5.747,349 3.399,350 2.483,351 3.332,352 0.86,353 7.68,354 2.269,355 3.544,356 2.722,357 5.222,358 3.149,359 2.235,360 2.863,362 6.493,363 2.029,364 3.44,365 2.495,366 5.159,367 2.963,368 2.048,369 2.811,371 6.106,372 1.867,373 3.248,374 2.29,375 4.967,376 2.778,377 1.858,378 2.52,380 5.587,381 1.706,382 2.889,383 1.996,384 4.503,385 2.501,386 1.585,387 2.019,389 4.326,390 1.43,391 2.589,392 1.886,393 4.205,394 2.191,395 1.257,396 1.615,398 3.462,399 1.161,400 1.942,401 1.267,402 3.191,403 1.64,404 0.773,405 0.873,407 1.37,408 0.663,409 1.621,410 0.918,411 3.017,412 1.399,413 0.431,414 0.498,415 0.77,416 0.415,417 1.48,418 0.663,419 2.804,420 1.205,421 0.351,422 0.387,423 0.494,424 0.298,425 1.233,426 0.535,427 2.703,428 0.826,429 -0.028,430 -0.033,431 -0.06,432 -0.023,433 1.034,434 0.285,435 2.531,436 0.623,437 -0.295,438 -0.381,439 -0.727,440 -0.269,441 0.782,442 -0.165,443 2.391,444 0.41,445 -0.507,446 -0.608,448 -1.07,449 -0.463,450 0.672,451 -0.218,452 2.213,453 0.299,454 -0.599,455 -0.701,457 -1.295,458 -0.527,459 11.5,460 0.479,461 0.606,462 0.025,463 32.5,464 1.354,465 16.5,466 0.688,467 16,468 0.667,469 19.336,470 0.806,471 26.3,472 0.612,473 23.139,474 0.964,475 6.383,476 0.266,477 5.184,478 0.216,479 0.2,481 0.391,485 1.064,486 1.23,487 0.774,488 0.938,489 1.237,490 0.878,491 1.068,492 0.783,493 0.72,494 0.744,495 0.666,496 0.686,497 1.112,498 1.203,499 1.107,500 1.117,501 0.929,502 0.898,503 0.792,504 1.332,505 1.281,506 1.474,507 0.733,508 1.283,509 0.87,510 1.123,511 1.541,512 1.356,513 1.14,514 1.186,515 0.846,516 1.017,517 1.087,518 1.142,519 0.807,520 0.993,521 1.541,522 1.074,523 1.048,524 1.009,525 1.16,526 1.079,527 1.066,528 1.086,529 0.865,530 0.985,531 1.057,532 1.196,533 5.5,534 0.049,535 2.667,536 2.479,537 1.748,538 0.931,539 0.594,540 0.432,541 0.299,542 0.155,543 5511,544 16296,545 2.015,546 44.2,547 5,548 9,551 5,555 1.675,556 1.846,557 3.113,558 2.702,559 1,560 1,564 75.009,565 1.744,566 3.818,567 4.472,568 4.722,569 4.815,570 4.955,571 2.444,572 4.252,573 4.558,574 3.228,575 890.87,576 7.898,577 10267,579 1,581 1,582 233.329,583 1.528,584 4.493,585 0.212,586 0.008,587 0.072,588 0.062,589 0.046,590 0.03,591 0.02,592 0.015,593 0.013,594 0.01,595 0.488,596 0.17,597 1,598 1.038,599 111.996,600 -0.155,601 -0.03,602 0.045,603 0.054,604 -0.263,605 0.058,606 0.059,607 0.285,608 0.247,609 0.289,610 0.215,611 0.281,612 -0.143,613 -0.042,614 0.072,615 0.085,616 -0.092,617 0.093,618 0.064,619 -0.161,620 -0.108,621 -0.258,622 0.094,623 -0.284,624 -0.037,625 -0.019,626 -0.276,627 -0.179,628 -0.185,629 -0.194,630 0.021,631 -0.065,632 -0.034,633 -0.098,634 0.023,635 0.025,636 -0.233,637 -0.117,638 -0.218,639 -0.122,640 -0.155,641 -0.149,642 0.013,643 -0.181,644 -0.144,645 -0.2,646 -0.017,647 -0.262,648 1.514,649 2.037,650 0.625,651 17.667,652 1.01,653 1.133,654 2.499,655 6.245,656 0.672,657 3.296,658 3.638,659 3.951,660 4.263,661 4.466,662 4.585,663 4.654,664 4.736,665 4.762,666 4.745,667 5.325,668 0.637,669 345.47,670 3.296,671 4.844,672 5.714,673 6.616,674 7.506,675 8.416,676 9.314,677 10.227,678 11.129,679 12.043,680 11.6,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,716 2,718 43,719 16,720 1,721 26,723 45,724 16,725 12,726 3,727 3,729 3,730 4,734 1,739 1,741 12,742 4,753 1,754 1,757 19,758 6,759 5,760 8,761 1,764 5,769 0.667,770 2,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 3,810 24,811 2,816 1,818 2,819 1,829 4.7,834 2,836 13,837 8.567,838 5.472,839 2.374,840 3.215,841 1.451,842 0.991,843 4.962,844 10.339,845 3.555,846 4.23,847 4.888,848 5.542,849 6.071,850 6.421,851 6.776,852 7.184,853 7.413,854 7.684,855 0.833,856 40,857 8.786,859 3.63,860 7.743,861 16.625,863 13.172,865 2.243,866 53.833,869 1,870 164.795,871 118.634,872 116.151,874 22,876 32.22,877 86.415,878 186.795,879 116.151,880 30.591,881 2.535,882 94.223,883 35.286,884 57.703,885 4.227,886 197.015,888 164.795,889 202.566,890 22,891 32.22,893 164.795,894 22,897 32.882,898 136.113,899 33.571,900 32.22,901 164.795,902 138.151,903 118.634,906 164.795,907 59.614,908 59.02,909 16.786,910 121.365,911 164.795,912 138.151,913 118.634,915 0.577,916 0.36,917 0.207,918 0.111,919 18,920 9,921 0.111,922 5,923 1,924 1.133,925 3.443,926 199.771,927 0.133,928 15,929 110.039,930 1,933 17.045,934 6.986,935 3.239,936 1.456,937 121.365,938 5.665,939 8.308,940 3.29,943 4.978,945 82.58,946 421.581,947 34,956 43.425,957 48.737,958 0.321,959 0.704,960 0.824,961 0.87,962 0.887,963 0.913,964 4.796,965 1.257,966 5.72,967 4.326,968 4.317,969 4.916,970 3.062,971 6.581,972 4.164,973 6.038,974 0.773,975 7.311,976 3.462,977 4.007,978 4.913,980 7.576,981 3.799,982 7.378,983 0.431,984 8.999,985 1.37,986 5.958,987 7.243,988 5.041,989 10.696,990 5.685,991 8.758,992 0.351,993 10.742,994 0.77,995 6.447,996 8.047,998 12.522,999 6.129,1000 10.168,1001 -0.028,1002 12.522,1003 0.494,1004 7.893,1005 9.884,1006 7.186,1007 15.183,1008 7.525,1009 11.601,1010 -0.295,1011 14.328,1012 -0.06,1013 8.753,1014 11.073,1016 17.373,1017 8.345,1018 13.052,1019 -0.507,1020 16.154,1021 -0.727,1022 10.012,1023 12.718,1024 9.348,1025 19.884,1026 9.561,1027 3.281,1028 -0.599,1029 17.997,1030 -1.07,1031 11.043,1032 14.093,1034 22.227,1035 10.554,1036 2.906,1037 11.659,1038 19.853,1039 -1.295,1040 12.235,1041 15.664,1042 11.511,1043 24.691,1044 11.708,1045 2.483,1046 9.274,1047 21.721,1048 4.684,1049 13.343,1050 17.126,1052 27.097,1053 12.777,1054 2.235,1055 7.68,1056 23.599,1057 3.917,1058 14.516,1059 18.671,1060 13.675,1061 29.548,1062 13.912,1063 2.048,1064 6.493,1065 25.485,1066 3.332,1067 15.658,1068 20.172,1070 31.98,1071 15.016,1072 1.858,1073 6.106,1074 27.377,1075 2.863,1076 16.828,1077 21.71,1078 15.838,1079 34.429,1080 16.147,1081 1.585,1082 5.587,1083 29.276,1084 2.811,1085 17.987,1086 23.231,1088 36.873,1089 17.268,1090 5519,1091 9621,1092 16.819,1093 28.915,1094 38.402,1095 41.711,1096 41.341,1097 38.453,1098 38.416,1099 51.037,1100 9.34,1101 114.44,1102 35.339,1103 5.509,1104 6.597,1105 6.492,1106 5.399,1107 5.281,1108 7.684,1109 5.9,1110 18.828,1111 5.141,1112 13.77,1113 1.477,1114 1.604,1115 1.59,1116 1.479,1117 1.478,1118 1.963,1119 0.359,1120 4.402,1121 1.359,1122 4.116,1123 4.156,1124 4.192,1125 4.015,1126 5.318,1127 4.016,1128 3.891,1129 3.903,1130 3.908,1131 3.814,1132 4.981,1133 3.814,1134 3.5,1135 3.578,1136 3.522,1137 3.313,1138 4.912,1139 3.316,1140 3.325,1141 3.388,1142 3.252,1143 3.12,1144 4.732,1145 3.088,1146 3.286,1147 3.364,1148 3.153,1149 3.014,1150 4.601,1151 3.034,1152 3.145,1153 3.235,1154 3.008,1155 2.868,1156 4.157,1157 2.857,1158 3.084,1159 3.208,1160 2.944,1161 2.811,1162 4.107,1163 2.804,1164 2.864,1165 2.911,1166 2.878,1167 2.739,1168 3.965,1169 2.747,1170 0.181,1171 0.177,1172 0.266,1173 0.163,1174 0.126,1175 4.712,1176 0.18,1177 4.597,1178 0.113,1179 6.923,1180 0.448,1181 4.237,1182 0.121,1183 3.281,1184 4.684,1185 2.95,1186 11.659,1187 3.141,1188 1.873,1189 1.864,1190 1.942,1191 2.013,1192 1.162,1193 1.979,1194 1.834,1195 1.799,1196 1.923,1197 1.963,1198 1.06,1199 1.964,1200 1.595,1201 1.537,1202 1.765,1203 1.785,1204 0.8,1205 1.801,1206 1.25,1207 1.19,1208 1.592,1209 1.567,1210 0.588,1211 1.572,1212 1.222,1213 1.15,1214 1.536,1215 1.503,1216 0.563,1217 1.504,1218 1.129,1219 1.035,1220 1.403,1221 1.432,1222 0.528,1223 1.465,1224 0.999,1225 0.9,1226 1.267,1227 1.373,1228 0.188,1229 1.357,1230 0.872,1231 0.811,1232 1.145,1233 1.148,1234 0.086,1235 1.168,1236 3.97,1238 5.303,1239 2.398,1240 6.841,1241 4.844,1242 8.475,1243 7.05,1244 10.16,1246 5.336,1250 11.733,1252 0.784,1254 10.749,1255 1.535,1262 27.411,1263 75.009,1264 164.156,1265 192.31,1266 203.065,1267 207.065,1268 213.065,1269 34.285,1270 7.124,1271 112.07,1272 137.37,1273 17,1274 12.558,1275 4.087,1276 3.17,1277 39.016,1278 76,1279 76,1280 0.257,1281 174.671,1282 288.19,1283 417.957,1284 10517,1286 17.267,1287 0.719,1288 0.605,1289 17.621,1290 14.53,1291 11.566,1292 0.445,1293 0.316,1294 7.326,1295 10.557,1296 7,1297 5.877,1298 11.975,1299 8.22,1300 10.211,1301 0.276,1302 0.166,1303 10.853,1304 6.148,1305 8.813,1306 0.173,1307 0.094,1308 9.601,1309 4.79,1310 7.816,1311 0.112,1312 0.053,1313 8.819,1314 3.743,1315 5.948,1316 0.069,1317 0.029,1318 6.959,1319 2.528,1320 0.389,1321 77.514,1322 0.244,1323 22.877,1324 0.746,1325 126,1326 388.579,1327 166.429,1328 393.645,1329 546.45,1330 370,1331 151,1332 396.411,1333 188.58,1334 418.454,1335 614.88,1336 391,1337 5.393}
{0 CHEMBL227065,1 1.572,2 9.391,3 3.609,4 13.022,5 96.851,6 8.459,7 0.808,8 3.768,9 3.893,10 3.497,11 3.411,12 4.945,13 3.37,14 4.221,15 4.367,16 3.927,17 3.818,18 5.384,19 3.75,20 4.41,21 4.57,22 3.978,23 3.947,24 5.479,25 3.84,26 4.453,27 4.638,28 3.868,29 3.873,30 5.566,31 3.741,32 4.445,33 4.688,34 3.682,35 3.739,36 5.449,37 3.591,38 4.274,39 4.519,40 3.443,41 3.6,42 5.144,43 3.437,44 4.094,45 4.306,46 3.314,47 3.457,48 5.128,49 3.36,50 4.105,51 4.342,52 3.226,53 3.384,54 5.131,55 3.295,56 0.047,57 0.616,58 6.922,59 3.071,60 9.827,61 3.617,62 0.157,63 0.973,64 12.643,65 5.648,66 17.118,67 7.029,68 0.093,69 1.157,70 18.819,71 7.425,72 12.619,73 8.341,74 0.203,75 1.206,76 21.121,77 8.019,78 24.055,79 9.396,80 0.287,81 1.158,82 21.815,83 6.73,84 34.938,85 8.012,86 0.108,87 0.903,88 21.209,89 7.645,90 15.57,91 9.526,92 0.097,93 0.786,94 14.489,95 5.227,96 16.406,97 6.419,98 0.099,99 0.768,100 12.263,101 4.677,102 17.751,103 6.364,104 10,105 38,106 0.276,107 0.625,108 0.732,109 0.833,110 0.855,111 0.873,112 3.189,113 0.924,114 -5.35,115 -5.23,116 -4.89,119 44.7,120 1,139 7,140 4,141 1,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 11,169 1,170 2,172 3,173 4,175 4,178 16,180 1,182 2,187 2,189 14,191 1,193 3,195 1,196 2,197 3,198 4,200 4,201 8,204 2,205 1,207 1,212 4,215 9,218 2,221 2,226 4,229 7,231 2,234 4,239 4,241 6,243 2,246 4,251 5,254 5,256 4,260 4,265 4,268 2,270 4,273 653,274 15.533,275 15.533,276 15.533,277 15.533,278 15.533,279 12.986,280 10.973,281 8.973,282 15.945,283 12.85,284 12.85,285 12.85,286 12.85,287 12.85,288 9.048,289 12.36,290 4.291,291 13.579,292 3.676,293 1.695,294 1.083,295 0.513,296 0.388,297 0.283,298 3.887,300 1,301 1,302 1,303 480,304 2.345,306 42.503,307 164.565,310 83.397,311 91.417,314 1.365,315 14.892,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48.5,327 216,328 4.7,329 4.577,330 6.875,331 4.216,332 3.261,333 4.676,334 2.95,335 11.407,336 3.119,337 4.406,338 3.378,339 6.186,340 3.911,341 2.923,342 4.336,344 9.24,345 2.893,346 3.882,347 2.96,348 5.767,349 3.426,350 2.527,351 3.36,353 7.83,354 2.262,355 3.604,356 2.744,357 5.233,358 3.146,359 2.219,360 3.023,362 6.497,363 2.039,364 3.424,365 2.303,366 5.118,367 2.934,368 2.01,369 2.805,371 5.984,372 1.851,373 3.196,374 2.005,375 4.934,376 2.716,377 1.783,378 2.467,380 5.428,381 1.655,382 3.118,383 1.725,384 4.416,385 2.618,386 1.618,387 2.427,389 4.363,390 1.618,391 2.891,392 1.618,393 4.216,394 2.4,395 1.409,396 2.079,398 3.36,399 1.393,400 2.528,401 1.457,402 3.617,403 2.118,404 1.196,405 1.536,407 2.985,408 1.09,409 2.184,410 0.905,411 3.202,412 1.688,413 0.698,414 1.032,415 1.622,416 0.689,417 1.386,418 0.558,419 3.032,420 0.964,421 0.078,422 0.098,423 0.219,424 0.068,425 1.144,426 0.359,427 2.725,428 0.747,429 -0.181,430 -0.227,431 -0.467,432 -0.167,433 1.001,434 0.014,435 2.539,436 0.545,437 -0.386,438 -0.512,439 -1.001,440 -0.353,441 0.882,442 -0.305,443 2.357,444 0.382,445 -0.591,446 -0.715,448 -1.401,449 -0.536,450 0.719,451 -0.603,452 2.195,453 0.323,454 -0.618,455 -0.927,457 -1.598,458 -0.618,459 11.333,460 0.493,461 0.644,462 0.028,463 34.5,464 1.5,465 19.5,466 0.848,467 15,468 0.652,469 15.813,470 0.688,471 22.867,472 0.602,473 22.47,474 0.977,475 6.663,476 0.29,477 4.451,478 0.194,479 0.115,481 0.397,485 1.194,486 0.955,487 0.742,488 0.694,489 1.361,490 0.7,491 0.35,492 0.807,493 0.691,494 0.836,495 0.37,496 0.79,497 1.09,498 1.152,499 1.254,500 1.169,501 0.892,502 1.022,503 0.692,504 1.174,505 1.349,506 1.409,507 0.608,508 1.265,509 1.692,510 0.817,511 1.243,512 0.916,513 1.661,514 0.987,515 0.549,516 1.019,517 1.143,518 1.208,519 0.474,520 1.006,521 1.084,522 1.099,523 1.135,524 1.116,525 0.992,526 1.043,527 1.071,528 1.018,529 0.702,530 0.817,531 1.009,532 0.98,533 5,534 0.077,535 2.444,536 2.354,537 1.445,538 0.695,539 0.394,540 0.293,541 0.233,542 0.146,543 5857,544 15492,545 2.141,546 39.5,547 3,548 7,551 5,555 1.656,556 2,557 3.211,558 2.675,560 1,562 1,564 59.721,565 1.572,566 3.553,567 4.165,568 4.735,569 4.86,570 4.965,571 2.644,572 4.35,573 4.499,574 3.33,575 842.519,576 7.736,577 9376.44,578 1,579 1,580 1,581 1,582 199.421,583 1.422,584 4.454,585 0.192,586 0.008,587 0.064,588 0.062,589 0.045,590 0.029,591 0.018,592 0.013,593 0.012,594 0.01,595 0.453,596 0.17,597 1,598 0.58,599 106.733,600 -0.234,601 0.133,602 0.029,603 0.173,604 -0.37,605 0.128,606 0.49,607 0.227,608 0.199,609 0.121,610 0.335,611 0.113,612 -0.167,613 -0.098,614 -0.108,615 -0.065,616 -0.128,617 -0.085,618 0.273,619 -0.146,620 -0.186,621 -0.31,622 0.261,623 -0.306,624 -0.421,625 0.23,626 -0.12,627 0.105,628 -0.457,629 -0.032,630 0.15,631 -0.136,632 0.057,633 -0.05,634 0.198,635 0.096,636 -0.147,637 -0.13,638 -0.19,639 -0.155,640 -0.052,641 -0.077,642 -0.107,643 -0.099,644 -0.01,645 -0.028,646 -0.026,647 -0.028,648 1.487,649 1.979,650 0.826,651 16.442,652 1,653 1.118,654 4.12,655 16.975,656 0.723,657 3.296,658 3.664,659 3.97,660 4.29,661 4.5,662 4.575,663 4.673,664 4.812,665 4.89,666 4.898,667 5.533,668 0.682,669 321.44,670 3.296,671 4.86,672 5.733,673 6.637,674 7.525,675 8.432,676 9.325,677 10.234,678 11.131,679 12.04,680 13.2,684 2,688 1,690 2,694 4,695 7,696 2,697 1,700 5,702 21,711 2,718 38,719 21,720 2,721 26,723 41,724 17,725 16,726 3,727 7,729 4,730 6,734 1,741 16,742 1,753 1,754 1,757 15,758 4,759 5,760 6,761 1,764 5,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,803 1,804 1,806 1,810 23,811 2,819 1,836 11.5,837 7.067,838 4.889,839 2.082,840 4.303,841 1.577,842 1.08,843 3.399,844 11.766,845 3.624,846 4.353,847 5.035,848 5.715,849 6.283,850 6.625,851 7.033,852 7.488,853 7.826,854 8.072,855 1,856 38,857 8.426,859 3.629,860 7.645,861 16.154,863 13.521,865 2.145,866 49.333,870 117.711,871 126.898,872 116.151,876 32.22,877 94.678,878 117.711,879 116.151,880 8.825,882 132.128,883 35.286,884 30.363,885 4.227,886 149.931,888 117.711,889 210.829,891 32.22,893 117.711,897 30.347,898 146.911,899 33.571,900 32.22,901 117.711,902 116.151,903 126.898,906 117.711,907 51.739,908 75.159,909 16.786,910 99.365,911 117.711,912 116.151,913 126.898,915 0.594,916 0.353,917 0.201,918 0.107,919 21,920 9,921 0.049,922 2,923 2,924 1.211,925 3.535,926 193.367,927 0.211,928 19,929 104.042,930 1,933 14.364,934 5.442,935 2.519,936 3.959,937 99.365,938 14.725,939 8.266,940 3.294,943 3.778,945 82.58,946 360.76,947 36.5,956 38.003,957 42.488,958 0.299,959 0.677,960 0.794,961 0.902,962 0.926,963 0.946,964 4.862,965 1.409,966 5.74,967 4.363,968 4.344,969 5.04,970 2.913,971 6.589,972 4.24,973 6.12,974 1.196,975 7.321,976 3.36,977 4.007,978 5.007,980 7.526,981 3.852,982 7.461,983 0.698,984 8.999,985 2.985,986 5.974,987 7.407,988 5.027,989 10.662,990 5.782,991 8.84,992 0.078,993 10.733,994 1.622,995 6.431,996 8.193,998 12.44,999 6.203,1000 10.25,1001 -0.181,1002 12.505,1003 0.219,1004 7.898,1005 10.077,1006 7.185,1007 15.101,1008 7.639,1009 11.682,1010 -0.386,1011 14.303,1012 -0.467,1013 8.735,1014 11.259,1016 17.249,1017 8.445,1018 13.134,1019 -0.591,1020 16.122,1021 -1.001,1022 10.005,1023 12.929,1024 9.348,1025 19.748,1026 9.684,1027 3.261,1028 -0.618,1029 17.958,1030 -1.401,1031 11.02,1032 14.299,1034 22.056,1035 10.666,1036 2.923,1037 11.407,1038 19.808,1039 -1.598,1040 12.215,1041 15.88,1042 11.511,1043 24.501,1044 11.828,1045 2.527,1046 9.24,1047 21.668,1048 4.676,1049 13.31,1050 17.335,1052 26.876,1053 12.887,1054 2.219,1055 7.83,1056 23.538,1057 4.336,1058 14.48,1059 18.881,1060 13.675,1061 29.306,1062 14.021,1063 2.01,1064 6.497,1065 25.417,1066 3.36,1067 15.613,1068 20.375,1070 31.711,1071 15.114,1072 1.783,1073 5.984,1074 27.302,1075 3.023,1076 16.776,1077 21.908,1078 15.838,1079 34.138,1080 16.238,1081 1.618,1082 5.428,1083 29.192,1084 2.805,1085 17.927,1086 23.419,1088 36.557,1089 17.347,1090 5489,1091 9062,1092 17.512,1093 27.483,1094 39.789,1095 42.366,1096 40.885,1097 39.46,1098 39.445,1099 55.678,1100 5.9,1101 117.87,1102 37.351,1103 5.473,1104 6.577,1105 6.563,1106 5.37,1107 5.261,1108 7.676,1109 5.9,1110 18.556,1111 5.119,1112 10.157,1113 1.53,1114 1.629,1115 1.573,1116 1.518,1117 1.517,1118 2.141,1119 0.227,1120 4.533,1121 1.437,1122 4.127,1123 4.162,1124 4.202,1125 4.072,1126 5.319,1127 4.059,1128 4.043,1129 4.07,1130 4.006,1131 3.954,1132 4.981,1133 3.966,1134 3.498,1135 3.549,1136 3.663,1137 3.448,1138 4.898,1139 3.41,1140 3.398,1141 3.461,1142 3.312,1143 3.206,1144 4.74,1145 3.224,1146 3.129,1147 3.24,1148 3.049,1149 2.975,1150 4.307,1151 2.953,1152 3.043,1153 3.143,1154 2.969,1155 2.854,1156 4.097,1157 2.859,1158 3.013,1159 3.093,1160 2.847,1161 2.703,1162 3.861,1163 2.715,1164 2.699,1165 2.741,1166 2.776,1167 2.657,1168 3.851,1169 2.614,1170 0.181,1171 0.176,1172 0.264,1173 0.162,1174 0.125,1175 4.7,1176 0.18,1177 4.577,1178 0.113,1179 6.875,1180 0.439,1181 4.216,1182 0.12,1183 3.261,1184 4.676,1185 2.95,1186 11.407,1187 3.119,1188 2.066,1189 2.05,1190 2.143,1191 2.112,1192 1.283,1193 2.128,1194 1.828,1195 1.792,1196 1.887,1197 2.01,1198 1.029,1199 1.972,1200 1.578,1201 1.544,1202 1.687,1203 1.73,1204 0.761,1205 1.742,1206 1.43,1207 1.382,1208 1.613,1209 1.549,1210 0.662,1211 1.579,1212 1.088,1213 1.028,1214 1.31,1215 1.414,1216 0.373,1217 1.401,1218 1.051,1219 0.97,1220 1.278,1221 1.35,1222 0.308,1223 1.342,1224 0.945,1225 0.825,1226 1.262,1227 1.192,1228 0.035,1229 1.228,1230 0.721,1231 0.669,1232 0.984,1233 0.976,1235 1.006,1236 3.97,1238 5.323,1239 2.398,1240 6.872,1241 4.844,1242 8.513,1243 7.034,1244 10.201,1246 2.012,1250 11.648,1255 1.65,1262 25.928,1263 59.721,1264 134.999,1265 158.26,1266 179.911,1267 184.666,1268 188.666,1269 25.854,1270 7.463,1271 93.61,1272 118.91,1273 23,1274 12.558,1275 4.459,1276 3.524,1277 31.929,1278 77,1279 69,1280 0.207,1281 163.022,1282 259.37,1283 389.535,1284 17383,1286 15.974,1287 0.695,1288 0.579,1289 16.328,1290 13.315,1291 11.114,1292 0.427,1293 0.308,1294 7.201,1295 10.397,1296 6.924,1297 5.757,1298 11.522,1299 8.012,1300 10.466,1301 0.275,1302 0.17,1303 11.134,1304 6.465,1305 8.921,1306 0.172,1307 0.095,1308 9.694,1309 4.945,1310 8.069,1311 0.112,1312 0.051,1313 8.897,1314 3.682,1315 6.249,1316 0.07,1317 0.03,1318 7.207,1319 2.635,1320 0.32,1321 72.57,1322 0.239,1323 22.367,1324 0.578,1325 128,1326 323.108,1327 162.672,1328 349.773,1329 497.23,1330 328,1331 154,1332 372.32,1333 183.707,1334 398.249,1335 586.71,1336 376,1337 5.092}
{0 CHEMBL22924,1 1.458,2 10.208,3 2.301,4 5.293,5 96.071,6 7.91,7 0.815,8 3.816,9 3.951,10 3.437,11 3.389,12 5.009,13 3.384,14 4.27,15 4.43,16 3.797,17 3.775,18 5.452,19 3.745,20 4.498,21 4.691,22 3.847,23 3.889,24 5.578,25 3.84,26 4.553,27 4.782,28 3.714,29 3.821,30 5.656,31 3.736,32 4.493,33 4.742,34 3.478,35 3.718,36 5.462,37 3.605,38 4.38,39 4.644,40 3.313,41 3.588,42 5.33,43 3.457,44 4.238,45 4.507,46 3.29,47 3.48,48 5.142,49 3.376,50 4.043,51 4.259,52 3.302,53 3.384,54 5.122,55 3.316,56 0.049,57 0.66,58 7.331,59 2.953,60 10.769,61 3.813,62 0.167,63 1.018,64 12.359,65 5.27,66 19.702,67 6.971,68 0.094,69 1.213,70 16.843,71 6.466,72 18.093,73 8.853,74 0.293,75 1.238,76 19.388,77 6.941,78 37.366,79 9.667,80 0.179,81 1.104,82 19.172,83 6.684,84 29.765,85 9.469,86 0.237,87 0.963,88 17.809,89 6.37,90 31.406,91 9.081,92 0.131,93 0.823,94 15.82,95 5.702,96 20.632,97 8.26,98 0.093,99 0.737,100 11.339,101 4.302,102 16.93,103 6.001,104 5,105 38,106 0.253,107 0.587,108 0.736,109 0.84,110 0.881,111 0.899,112 3.228,113 0.844,114 -4.47,115 -4.4,116 -4.15,119 45,125 1,139 8,140 4,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 11,169 2,170 4,172 3,173 3,175 4,178 12,180 1,182 3,187 5,189 9,191 1,192 1,193 2,195 3,196 4,197 1,198 6,200 2,201 7,204 2,205 1,212 2,215 7,218 1,221 2,224 2,225 1,226 1,228 1,229 8,231 1,234 3,241 7,246 7,250 1,251 2,253 1,254 4,256 2,260 7,265 3,268 1,270 3,273 722,274 16.447,275 16.447,276 16.447,277 16.447,278 16.447,279 13.824,280 16.037,281 9.694,282 16.735,283 13.353,284 13.353,285 13.353,286 13.353,287 13.353,288 9.446,289 23.348,290 4.613,291 13.835,292 3.864,293 1.941,294 1.088,295 0.488,296 0.25,297 0.15,298 3.932,300 1,301 1,302 1,303 544,304 2.449,307 226.72,311 193.163,314 1.458,315 16.684,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51,327 245,328 4.542,329 3.141,330 6.508,331 4.044,332 3.081,333 4.491,334 0.657,335 10.202,336 3.007,337 4.492,338 3.072,339 6.5,340 4.015,341 3.028,342 4.429,344 10.168,345 2.954,346 3.777,347 2.647,348 5.339,349 3.388,350 2.423,351 3.237,353 6.929,354 2.339,355 3.509,356 2.231,357 5.172,358 3.078,359 2.117,360 2.906,362 6.198,363 2.04,364 3.427,365 2.134,366 5.062,367 2.961,368 2.023,369 2.811,371 5.8,372 1.888,373 3.358,374 2.025,375 4.966,376 2.875,377 1.941,378 2.686,380 5.732,381 1.802,382 3.118,383 1.618,384 4.167,385 2.618,386 1.618,387 2.427,389 3.801,390 1.618,391 2.77,392 1.29,393 3.71,394 2.275,395 1.277,396 1.904,398 2.853,399 1.274,400 2.458,401 1.154,402 3.601,403 2.007,404 1.041,405 1.441,407 2.565,408 1.004,409 2.41,410 1.057,411 3.419,412 1.942,413 1,414 1.376,415 2.369,416 0.939,417 1.881,418 0.726,419 3.125,420 1.556,421 0.592,422 0.745,423 1.402,424 0.569,425 1.391,426 0.179,427 2.733,428 0.968,429 0.034,430 0.045,431 0.086,432 0.032,433 1.028,434 -0.238,435 2.569,436 0.597,437 -0.366,438 -0.485,439 -0.925,440 -0.349,441 0.951,442 -0.307,443 2.448,444 0.464,445 -0.459,446 -0.59,448 -1.169,449 -0.424,450 0.882,451 -0.618,452 2.301,453 0.382,454 -0.618,455 -0.927,457 -1.478,458 -0.618,459 11.4,460 0.475,461 0.554,462 0.023,463 37.5,464 1.563,465 21.5,466 0.896,467 16,468 0.667,469 14.166,470 0.59,471 24,472 0.6,473 25.395,474 1.058,475 7.451,476 0.31,477 4.253,478 0.177,479 0.07,481 0.351,485 1.16,486 1.106,487 0.78,488 0.818,489 1.289,490 0.758,491 0.588,492 0.903,493 0.782,494 0.937,495 0.498,496 0.897,497 1.001,498 1.263,499 0.945,500 1.114,501 0.814,502 1.039,503 0.872,504 0.935,505 1.096,506 1.093,507 0.756,508 1.121,509 1.132,510 1.035,511 1.172,512 1.106,513 1.093,514 1.137,515 0.832,516 0.75,517 1.087,518 0.991,519 1.015,520 1.06,521 0.753,522 0.814,523 0.776,524 0.809,525 0.674,526 0.798,527 0.83,528 1.089,529 0.912,530 1.054,531 0.879,532 1.006,533 4.5,534 0.103,535 2.667,536 1.5,537 1.493,538 0.444,539 0.283,540 0.236,541 0.209,542 0.177,543 6919,544 18073,545 2.161,546 40,548 10,550 1,551 5,555 1.665,556 2.057,557 3.309,558 2.619,559 1,560 1,562 1,564 58.309,565 1.458,566 3.381,567 4.234,568 4.834,569 5.072,570 5.172,571 2.709,572 4.054,573 4.563,574 3.451,575 952.501,576 7.851,577 11218.6,578 1,579 1,581 1,582 212.877,583 1.281,584 4.532,585 0.167,586 0.006,587 0.07,588 0.038,589 0.047,590 0.018,591 0.013,592 0.011,593 0.009,594 0.009,595 0.389,596 0.17,597 1,598 0.49,599 114.344,600 -0.213,601 0.031,602 0.01,603 0.117,604 -0.318,605 0.1,606 0.305,607 0.18,608 0.052,609 0.023,610 0.237,611 0.005,612 -0.092,613 -0.241,614 -0.049,615 -0.147,616 -0.042,617 -0.103,618 0.175,619 0.066,620 -0.131,621 -0.14,622 0.175,623 -0.173,624 -0.186,625 -0.091,626 -0.177,627 -0.121,628 -0.165,629 -0.143,630 0.071,631 0.164,632 -0.065,633 0.016,634 -0.087,635 -0.033,636 0.046,637 0.062,638 0.261,639 0.231,640 0.088,641 0.269,642 0.053,643 -0.113,644 0.03,645 -0.066,646 0.036,647 -0.03,648 1.533,649 1.916,650 0.833,651 17.924,652 1.001,653 1.127,654 3.244,655 10.522,656 0.696,657 3.332,658 3.664,659 3.951,660 4.234,661 4.477,662 4.466,663 4.543,664 4.635,665 4.779,666 4.754,667 6.008,668 0.669,669 316.4,670 3.332,671 4.875,672 5.733,673 6.616,674 7.487,675 8.372,676 9.247,677 10.131,678 11.008,679 11.891,680 15,684 2,685 1,690 3,694 4,695 9,696 3,700 4,702 22,711 2,712 1,718 40,719 22,720 2,721 27,723 43,724 18,725 17,726 3,727 7,729 4,730 6,741 17,742 1,753 1,754 1,757 16,758 6,759 5,760 6,764 6,769 0.5,775 1,776 1,781 4,785 2,802 2,810 24,811 2,816 1,817 1,836 11.667,837 7.017,838 5.194,839 2.185,840 4.538,841 1.605,842 1.068,843 3.634,844 12.044,845 3.664,846 4.357,847 5.024,848 5.672,849 6.281,850 6.536,851 6.902,852 7.272,853 7.694,854 7.683,855 0.857,856 39,857 8.783,859 3.75,860 7.681,861 16.742,863 13.792,865 2.181,866 52.333,869 1,870 129.482,871 106.567,872 134.162,877 106.567,878 129.482,879 134.162,881 2.106,882 141.604,883 80.138,884 24.424,885 4.227,886 117.711,888 129.482,889 240.728,893 131.197,897 13.052,898 157.593,899 68.367,901 129.482,902 134.162,903 106.567,906 129.482,907 21.709,908 84.857,909 18.011,910 116.151,911 129.482,912 134.162,913 106.567,915 0.583,916 0.345,917 0.196,918 0.108,919 20,920 8,921 0.07,922 3,923 2,924 1.2,925 3.693,926 199.238,927 0.2,928 20,929 108.039,933 14.669,934 5.947,935 2.851,936 3.604,937 134.162,938 18.182,939 12.404,943 2.552,945 83.805,946 370.21,947 38,956 40.029,957 45.066,958 0.274,959 0.635,960 0.796,961 0.908,962 0.953,963 0.972,964 4.879,965 1.277,966 5.714,967 3.801,968 4.344,969 5.043,970 0.623,971 6.524,972 4.276,973 6.114,974 1.041,975 7.268,976 2.853,977 3.892,978 4.913,980 7.402,981 3.795,982 7.437,983 1,984 8.921,985 2.565,986 5.932,987 7.38,988 0.317,989 10.513,990 5.808,991 8.798,992 0.592,993 10.634,994 2.369,995 6.293,996 8.087,998 12.23,999 6.147,1000 10.191,1001 0.034,1002 12.386,1003 1.402,1004 7.8,1005 10.012,1006 0.149,1007 14.848,1008 7.63,1009 11.607,1010 -0.366,1011 14.165,1012 0.086,1013 8.558,1014 11.132,1016 16.917,1017 8.368,1018 13.042,1019 -0.459,1020 15.964,1021 -0.925,1022 9.837,1023 12.819,1024 0.067,1025 19.357,1026 9.625,1027 3.081,1028 -0.618,1029 17.778,1030 -1.169,1031 10.789,1032 14.142,1034 21.573,1035 10.555,1036 3.028,1037 10.202,1038 19.604,1039 -1.478,1040 11.971,1041 15.723,1042 0.03,1043 23.943,1044 11.715,1045 2.423,1046 10.168,1047 21.439,1048 4.491,1049 13.013,1050 17.14,1052 26.22,1053 12.734,1054 2.117,1055 6.929,1056 23.281,1057 4.429,1058 14.155,1059 18.674,1060 0.013,1061 28.562,1062 13.854,1063 2.023,1064 6.198,1065 25.13,1066 3.237,1067 15.238,1068 20.134,1070 30.864,1071 14.913,1072 1.941,1073 5.8,1074 26.983,1075 2.906,1076 16.364,1077 21.647,1078 0.006,1079 33.194,1080 16.016,1081 1.618,1082 5.732,1083 28.84,1084 2.811,1085 17.465,1086 23.127,1088 35.507,1089 17.094,1090 6448,1091 10554,1092 18.493,1093 27.841,1094 40.522,1095 40.522,1096 41.213,1097 40.341,1098 40.35,1099 56.996,1100 1.315,1101 116.213,1102 38.933,1103 5.37,1104 5.141,1105 6.197,1106 5.119,1107 5.081,1108 7.491,1109 1.315,1110 17.096,1111 5.007,1112 8.834,1113 1.501,1114 1.501,1115 1.526,1116 1.494,1117 1.494,1118 2.111,1119 0.049,1120 4.304,1121 1.442,1122 4.102,1123 4.133,1124 4.062,1125 4.047,1126 5.324,1127 4.045,1128 4.026,1129 4.061,1130 3.997,1131 3.915,1132 4.982,1133 3.932,1134 3.565,1135 3.631,1136 3.487,1137 3.415,1138 4.912,1139 3.419,1140 3.447,1141 3.497,1142 3.353,1143 3.324,1144 4.807,1145 3.332,1146 3.185,1147 3.27,1148 3.077,1149 3.005,1150 4.372,1151 3.012,1152 3.108,1153 3.222,1154 3.002,1155 2.818,1156 4.204,1157 2.851,1158 2.946,1159 3.014,1160 2.823,1161 2.757,1162 4.044,1163 2.772,1164 2.674,1165 2.762,1166 2.542,1167 2.574,1168 3.856,1169 2.56,1170 0.168,1171 0.116,1172 0.241,1173 0.15,1174 0.114,1175 4.542,1176 0.166,1177 3.141,1178 0.024,1179 6.508,1180 0.378,1181 4.044,1182 0.111,1183 3.081,1184 4.491,1185 0.657,1186 10.202,1187 3.007,1188 2.073,1189 2.053,1190 2.156,1191 2.146,1192 1.293,1193 2.147,1194 1.969,1195 1.935,1196 2.027,1197 2.102,1198 1.145,1199 2.085,1200 1.522,1201 1.471,1202 1.689,1203 1.723,1204 0.764,1205 1.714,1206 1.434,1207 1.381,1208 1.603,1209 1.584,1210 0.668,1211 1.6,1212 1.133,1213 1.069,1214 1.344,1215 1.398,1216 0.351,1217 1.393,1218 1,1219 0.904,1220 1.266,1221 1.368,1222 0.186,1223 1.349,1224 0.928,1225 0.847,1226 1.197,1227 1.128,1228 0.061,1229 1.157,1230 0.69,1231 0.638,1232 0.956,1233 0.924,1235 0.94,1236 4.007,1238 5.333,1240 6.868,1242 8.502,1244 10.187,1250 11.512,1252 0.626,1253 3.453,1262 26.762,1263 58.309,1264 135.228,1265 169.367,1266 193.367,1267 202.877,1268 206.877,1269 27.256,1270 7.506,1271 102.74,1272 102.74,1273 24,1274 12.426,1275 4.524,1276 3.585,1277 34.017,1278 89,1279 76,1280 0.19,1281 165.351,1282 266.52,1283 395.216,1284 19727,1286 16.518,1287 0.688,1288 0.537,1289 16.518,1290 12.9,1291 11.704,1292 0.433,1293 0.281,1294 7.513,1295 11.372,1296 7.361,1297 6.116,1298 11.704,1299 7.598,1300 10.634,1301 0.28,1302 0.146,1303 10.634,1304 5.562,1305 9.036,1306 0.177,1307 0.077,1308 9.036,1309 3.927,1310 7.913,1311 0.116,1312 0.041,1313 7.913,1314 2.769,1315 6.551,1316 0.075,1317 0.022,1318 6.551,1319 1.918,1320 0.299,1321 72.523,1322 0.233,1323 23.45,1324 0.516,1325 130,1326 337.893,1327 139.88,1328 343.197,1329 485.54,1330 322,1331 154,1332 375.479,1333 163.659,1334 385.859,1335 564.34,1336 364,1337 6.43}
{0 CHEMBL23021,1 1.638,2 10.16,3 1.846,4 3.407,5 97.588,6 7.565,7 0.63,8 3.922,9 4.054,10 3.489,11 3.366,12 5.117,13 3.381,14 4.403,15 4.587,16 3.829,17 3.716,18 5.553,19 3.716,20 4.521,21 4.682,22 3.944,23 3.874,24 5.649,25 3.864,26 4.694,27 4.887,28 3.898,29 3.93,30 5.835,31 3.866,32 4.827,33 5.098,34 3.661,35 3.88,36 5.791,37 3.771,38 4.651,39 4.921,40 3.556,41 3.736,42 5.58,43 3.625,44 4.519,45 4.758,46 3.53,47 3.638,48 5.501,49 3.564,50 4.451,51 4.684,52 3.506,53 3.596,54 5.465,55 3.514,56 0.09,57 0.698,58 9.301,59 3.4,60 12.478,61 4.689,62 0.368,63 1.017,64 17.334,65 5.822,66 31.511,67 7.88,68 0.262,69 1.204,70 18.152,71 6.203,72 19.145,73 8.814,74 0.406,75 1.33,76 22.621,77 7.877,78 39.306,79 11.227,80 0.63,81 1.312,82 29.579,83 7.606,84 57.194,85 12.272,86 0.412,87 1.074,88 24.77,89 7.711,90 40.304,91 11.579,92 0.427,93 0.941,94 21.455,95 6.486,96 37.439,97 9.387,98 0.32,99 0.909,100 19.442,101 6.443,102 30.009,103 9.34,104 30,105 38,106 0.283,107 0.652,108 0.79,109 0.832,110 0.847,111 0.87,112 3.267,113 0.851,114 -3.15,115 -3.14,116 -3.02,119 37.8,120 1,124 2,125 1,139 3,140 3,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 4,169 2,170 7,172 3,173 3,175 3,178 4,180 1,182 6,185 1,187 3,189 1,191 1,192 1,193 5,195 3,196 5,197 1,198 6,200 2,201 1,204 3,205 1,206 1,207 1,212 1,215 2,218 1,221 3,224 2,225 1,226 2,228 1,229 4,231 2,233 1,234 4,241 3,245 1,246 5,250 1,251 1,253 1,254 2,256 1,259 2,260 2,262 1,263 1,265 1,270 1,273 853,274 16.826,275 16.826,276 16.826,277 16.826,278 16.826,279 14.692,280 23.752,281 9.666,282 17.465,283 13.154,284 13.154,285 13.154,286 13.154,287 13.154,288 9.83,289 33.733,290 4.382,291 14.002,292 3.854,293 1.715,294 0.912,295 0.673,296 0.584,297 0.45,298 3.946,300 1,301 1,302 1,303 536,304 2.915,307 209.768,311 109.065,314 1.446,315 23.173,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 55,327 254,328 4.654,329 3.317,330 6.835,331 4.185,332 3.212,333 4.616,334 0.86,335 11.231,336 3.13,337 4.267,338 3.149,339 6.174,340 3.859,341 2.905,342 3.911,343 0.86,344 9.174,345 2.767,346 3.903,347 2.74,348 5.797,349 3.493,350 2.537,351 3.408,352 0.657,353 7.845,354 2.426,355 3.545,356 2.672,357 5.221,358 3.16,359 2.24,360 2.862,362 6.492,363 2.051,364 3.454,365 2.232,366 5.097,367 2.988,368 2.054,369 2.855,371 5.916,372 1.912,373 3.386,374 2.062,375 5.009,376 2.903,377 1.982,378 2.708,380 5.795,381 1.821,382 2.927,383 1.955,384 4.421,385 2.562,386 1.623,387 2.065,389 4.305,390 1.519,391 2.703,392 1.601,393 4.223,394 2.297,395 1.343,396 1.774,398 3.51,399 1.278,400 2.072,401 1.251,402 3.349,403 1.757,404 0.823,405 0.996,407 1.876,408 0.764,409 1.865,410 0.955,411 3.044,412 1.59,413 0.711,414 0.793,415 1.275,416 0.62,417 1.484,418 0.91,419 2.836,420 1.202,421 0.341,422 0.377,423 0.488,424 0.291,425 1.343,426 0.339,427 2.81,428 0.977,429 0.054,430 0.067,431 0.12,432 0.05,433 1.188,434 0.11,435 2.642,436 0.836,437 -0.116,438 -0.142,439 -0.3,440 -0.11,441 0.935,442 -0.042,443 2.516,444 0.507,445 -0.41,446 -0.517,448 -0.855,449 -0.372,450 0.742,451 -0.294,452 2.233,453 0.384,454 -0.527,455 -0.627,457 -1.183,458 -0.476,459 11.567,460 0.463,461 0.644,462 0.026,463 35.5,464 1.42,465 18.5,466 0.74,467 17,468 0.68,469 18.035,470 0.721,471 27.433,472 0.61,473 26.307,474 1.052,475 7.286,476 0.291,477 4.743,478 0.19,479 0.199,481 0.389,485 1.057,486 1.396,487 0.815,488 1.12,489 1.213,490 0.938,491 1.146,492 0.825,493 0.743,494 0.746,495 0.719,496 0.697,497 1.059,498 1.388,499 0.935,500 1.152,501 0.904,502 1.039,503 0.814,504 1.306,505 1.122,506 1.393,507 0.739,508 1.341,509 1.045,510 0.905,511 1.184,512 0.924,513 1.226,514 1.033,515 0.799,516 0.813,517 0.924,518 0.971,519 0.799,520 0.97,521 1.259,522 0.866,523 1.006,524 0.899,525 1.072,526 0.917,527 0.92,528 1.076,529 0.928,530 1.13,531 0.811,532 1.062,533 5.5,534 0.136,535 3.111,536 2.188,537 1.862,538 0.819,539 0.427,540 0.38,541 0.287,542 0.217,543 6747,544 19693,545 2.015,546 44.4,547 3,548 11,550 1,551 5,555 1.681,556 1.852,557 3.298,558 2.647,559 1,560 1,564 73.698,565 1.638,566 3.777,567 4.58,568 4.819,569 4.908,570 5.042,571 2.713,572 4.484,573 4.618,574 3.446,575 1033.72,576 7.987,577 12491.4,579 1,581 1,582 247.133,583 1.516,584 4.555,585 0.204,586 0.009,587 0.082,588 0.052,589 0.05,590 0.029,591 0.016,592 0.015,593 0.011,594 0.01,595 0.479,596 0.17,597 1,598 0.942,599 120.291,600 -0.15,601 -0.142,602 0.027,603 -0.041,604 -0.255,605 0.027,606 -0.003,607 0.268,608 0.197,609 0.281,610 0.176,611 0.266,612 -0.109,613 -0.216,614 -0.055,615 -0.1,616 -0.089,617 -0.073,618 0.075,619 -0.205,620 -0.218,621 -0.37,622 0.122,623 -0.37,624 -0.137,625 0.059,626 -0.189,627 -0.003,628 -0.245,629 -0.077,630 0.036,631 0.097,632 0.065,633 0.02,634 0.055,635 0.046,636 -0.125,637 0.052,638 -0.004,639 0.101,640 -0.111,641 0.075,642 0.045,643 -0.139,644 0.043,645 -0.098,646 0.062,647 -0.044,648 1.552,649 1.99,650 0.64,651 20.125,652 1.01,653 1.14,654 1.916,655 3.672,656 0.651,657 3.332,658 3.664,659 3.951,660 4.205,661 4.407,662 4.466,663 4.466,664 4.522,665 4.615,666 4.673,667 5.998,668 0.628,669 340.43,670 3.332,671 4.875,672 5.733,673 6.619,674 7.492,675 8.382,676 9.26,677 10.152,678 11.032,679 11.925,680 13.3,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 2,718 45,719 17,720 1,721 27,723 47,724 17,725 13,726 3,727 3,729 3,730 4,734 1,741 13,742 4,753 1,754 1,757 20,758 8,759 5,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 3,810 25,811 2,816 1,817 1,818 2,829 4.4,834 2,836 13.5,837 8.933,838 5.639,839 2.303,840 3.427,841 1.478,842 0.983,843 4.992,844 10.605,845 3.597,846 4.263,847 4.898,848 5.503,849 6.071,850 6.346,851 6.619,852 6.956,853 7.342,854 7.482,855 0.857,856 42,857 9.136,859 3.756,860 7.78,861 17.171,863 13.428,865 2.28,866 57,870 176.567,871 98.303,872 134.162,874 22,877 98.303,878 198.566,879 134.162,880 30.591,881 2.106,882 94.223,883 80.138,884 54.95,885 4.227,886 164.795,888 176.567,889 232.465,890 22,893 178.282,894 22,897 21.877,898 140.505,899 68.367,901 176.567,902 156.161,903 98.303,906 176.567,907 30.236,908 68.067,909 18.011,910 138.151,911 176.567,912 156.161,913 98.303,915 0.581,916 0.356,917 0.194,918 0.102,919 18,920 9,921 0.106,922 5,923 1,924 1.125,925 3.6,926 205.324,927 0.125,928 16,929 116.096,933 17.359,934 7.19,935 3.488,936 1.205,937 156.161,938 7.32,939 12.49,943 4.655,945 83.805,946 431.031,947 35.5,956 45.451,957 51.315,958 0.298,959 0.688,960 0.834,961 0.878,962 0.894,963 0.918,964 4.83,965 1.343,966 5.733,967 4.305,968 4.344,969 4.949,970 1.573,971 6.567,972 4.233,973 6.067,974 0.823,975 7.313,976 3.51,977 4.007,978 4.913,980 7.526,981 3.873,982 7.399,983 0.711,984 8.989,985 1.876,986 5.964,987 7.258,988 1.27,989 10.623,990 5.774,991 8.77,992 0.341,993 10.722,994 1.275,995 6.415,996 8.015,998 12.392,999 6.21,1000 10.169,1001 0.054,1002 12.492,1003 0.488,1004 7.862,1005 9.867,1006 1.022,1007 15.034,1008 7.616,1009 11.59,1010 -0.116,1011 14.287,1012 0.12,1013 8.682,1014 11.007,1016 17.159,1017 8.421,1018 13.029,1019 -0.41,1020 16.102,1021 -0.3,1022 9.934,1023 12.659,1024 0.818,1025 19.646,1026 9.641,1027 3.212,1028 -0.527,1029 17.932,1030 -0.855,1031 10.928,1032 13.993,1034 21.929,1035 10.618,1036 2.905,1037 11.231,1038 19.775,1039 -1.183,1040 12.106,1041 15.562,1042 0.65,1043 24.362,1044 11.769,1045 2.537,1046 9.174,1047 21.63,1048 4.616,1049 13.182,1050 16.992,1052 26.716,1053 12.825,1054 2.24,1055 7.845,1056 23.493,1057 3.911,1058 14.336,1059 18.528,1060 0.511,1061 29.131,1062 13.953,1063 2.054,1064 6.492,1065 25.364,1066 3.408,1067 15.45,1068 20.005,1070 31.517,1071 15.046,1072 1.982,1073 5.916,1074 27.242,1075 2.862,1076 16.597,1077 21.53,1078 0.399,1079 33.929,1080 16.169,1081 1.623,1082 5.795,1083 29.126,1084 2.855,1085 17.731,1086 23.03,1088 36.329,1089 17.28,1090 6663,1091 11503,1092 17.512,1093 29.273,1094 39.652,1095 40.681,1096 42.086,1097 39.544,1098 39.649,1099 52.866,1100 4.755,1101 116.055,1102 37.258,1103 5.496,1104 5.317,1105 6.403,1106 5.26,1107 5.212,1108 7.616,1109 1.72,1110 18.468,1111 5.13,1112 14.243,1113 1.469,1114 1.507,1115 1.559,1116 1.465,1117 1.468,1118 1.958,1119 0.176,1120 4.298,1121 1.38,1122 4.073,1123 4.113,1124 4.049,1125 3.96,1126 5.321,1127 3.976,1128 3.916,1129 3.937,1130 3.872,1131 3.817,1132 4.982,1133 3.826,1134 3.549,1135 3.616,1136 3.48,1137 3.361,1138 4.929,1139 3.384,1140 3.326,1141 3.376,1142 3.188,1143 3.038,1144 4.803,1145 3.062,1146 3.219,1147 3.311,1148 3.06,1149 2.983,1150 4.604,1151 2.986,1152 3.154,1153 3.249,1154 3.033,1155 2.88,1156 4.271,1157 2.899,1158 3.11,1159 3.206,1160 2.884,1161 2.855,1162 4.147,1163 2.849,1164 3.023,1165 3.152,1166 2.809,1167 2.705,1168 4.031,1169 2.722,1170 0.172,1171 0.123,1172 0.253,1173 0.155,1174 0.119,1175 4.654,1176 0.171,1177 3.317,1178 0.032,1179 6.835,1180 0.416,1181 4.185,1182 0.116,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.13,1188 1.998,1189 1.967,1190 2.062,1191 2.133,1192 1.228,1193 2.112,1194 1.87,1195 1.852,1196 1.959,1197 1.997,1198 1.063,1199 1.984,1200 1.48,1201 1.419,1202 1.634,1203 1.71,1204 0.736,1205 1.696,1206 1.243,1207 1.182,1208 1.592,1209 1.57,1210 0.586,1211 1.573,1212 1.192,1213 1.101,1214 1.549,1215 1.481,1216 0.559,1217 1.505,1218 1.129,1219 1.036,1220 1.518,1221 1.42,1222 0.555,1223 1.454,1224 1.04,1225 0.953,1226 1.283,1227 1.357,1228 0.226,1229 1.344,1230 0.946,1231 0.826,1232 1.258,1233 1.326,1234 0.134,1235 1.329,1236 4.007,1238 5.333,1240 6.868,1242 8.504,1244 10.193,1246 5.204,1250 11.616,1252 0.53,1253 3.34,1254 10.64,1262 28.246,1263 73.698,1264 169.96,1265 206.114,1266 216.869,1267 220.869,1268 226.869,1269 36.343,1270 7.178,1271 121.2,1272 121.2,1273 18,1274 12.454,1275 4.17,1276 3.248,1277 41.794,1278 91,1279 83,1280 0.229,1281 176.999,1282 295.34,1283 423.638,1284 12143,1286 17.974,1287 0.719,1288 0.573,1289 17.974,1290 14.329,1291 12.028,1292 0.445,1293 0.284,1294 7.493,1295 11.387,1296 7.22,1297 6.067,1298 12.028,1299 7.662,1300 10.681,1301 0.281,1302 0.145,1303 10.681,1304 5.494,1305 9.198,1306 0.18,1307 0.079,1308 9.198,1309 4.01,1310 7.811,1311 0.118,1312 0.04,1313 7.811,1314 2.654,1315 5.851,1316 0.072,1317 0.02,1318 5.851,1319 1.655,1320 0.357,1321 76.703,1322 0.239,1323 24.115,1324 0.632,1325 130,1326 407.364,1327 145.637,1328 391.774,1329 540.99,1330 368,1331 154,1332 404.57,1333 169.362,1334 412.94,1335 600.07,1336 384,1337 6.89}
{0 CHEMBL23054,1 1.68,2 9.375,3 1.694,4 2.87,5 93.144,6 7.66,7 0.615,8 3.89,9 4.011,10 3.47,11 3.296,12 5.09,13 3.327,14 4.381,15 4.558,16 3.816,17 3.648,18 5.533,19 3.67,20 4.461,21 4.608,22 3.889,23 3.792,24 5.583,25 3.792,26 4.673,27 4.859,28 3.901,29 3.88,30 5.798,31 3.831,32 4.776,33 5.006,34 3.702,35 3.869,36 5.77,37 3.778,38 4.707,39 4.954,40 3.605,41 3.773,42 5.615,43 3.675,44 4.594,45 4.837,46 3.571,47 3.629,48 5.609,49 3.565,50 4.47,51 4.725,52 3.507,53 3.492,54 5.523,55 3.421,56 0.113,57 0.647,58 8.854,59 3.285,60 12.231,61 4.4,62 0.471,63 0.94,64 17.208,65 5.411,66 32.396,67 7.172,68 0.3,69 1.09,70 16.764,71 5.885,72 17.731,73 8.068,74 0.565,75 1.21,76 22.6,77 7.776,78 41.246,79 10.948,80 0.726,81 1.218,82 27.335,83 8.167,84 51.762,85 11.701,86 0.499,87 1.081,88 26.199,89 8.204,90 37.104,91 11.961,92 0.623,93 0.957,94 23.756,95 6.593,96 47.122,97 9.667,98 0.546,99 0.844,100 20.99,101 5.948,102 39.076,103 9.211,104 30,105 37,106 0.293,107 0.668,108 0.781,109 0.824,110 0.841,111 0.865,112 3.229,113 0.837,114 -2.98,115 -2.98,116 -2.88,119 37.2,124 3,125 1,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 2,169 2,170 9,172 3,173 3,175 1,178 1,180 1,181 1,182 7,187 1,189 1,191 1,192 3,193 1,195 3,196 3,197 1,198 1,200 2,201 1,204 1,205 1,206 3,207 1,209 1,210 1,212 1,215 2,218 1,221 3,229 2,233 1,234 4,236 1,237 1,239 1,241 1,243 1,245 3,246 3,248 1,249 1,251 1,256 1,259 2,260 2,262 1,263 1,265 2,270 2,273 746,274 16.118,275 16.118,276 16.118,277 16.118,278 16.118,279 14.192,280 23.409,281 9.239,282 16.745,283 12.681,284 12.681,285 12.681,286 12.681,287 12.681,288 9.629,289 33.886,290 4.193,291 13.506,292 3.746,293 1.6,294 0.954,295 0.704,296 0.611,297 0.471,298 3.905,300 1,301 1,302 1,303 475,304 3.162,306 50.401,307 140.607,310 94.772,314 1.292,315 22.558,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 53.5,327 225,328 4.642,329 3.354,330 6.788,331 4.177,332 3.203,333 4.609,334 0.916,335 11.142,336 3.125,337 4.333,338 3.201,339 6.467,340 3.956,341 3.006,342 3.954,343 0.86,344 10.02,345 2.85,346 3.725,347 2.732,348 5.376,349 3.323,350 2.391,351 3.161,352 0.86,353 6.901,354 2.226,355 3.578,356 2.588,357 5.234,358 3.184,359 2.261,360 2.892,361 0.172,362 6.529,363 2.08,364 3.408,365 2.33,366 5.063,367 2.941,368 2.018,369 2.788,371 5.81,372 1.874,373 3.237,374 2.066,375 5.028,376 2.91,377 1.977,378 2.394,380 5.7,381 1.827,382 2.961,383 1.842,384 4.701,385 2.573,386 1.613,387 2.117,389 4.703,390 1.543,391 2.395,392 1.321,393 3.834,394 1.991,395 1.017,396 1.361,398 2.674,399 0.989,400 2.249,401 1.099,402 3.587,403 1.793,404 0.818,405 1.152,407 2.065,408 0.796,409 1.873,410 0.913,411 3.047,412 1.6,413 0.74,414 0.814,415 1.261,416 0.631,417 1.449,418 0.858,419 2.805,420 1.182,421 0.328,422 0.36,423 0.444,424 0.278,425 1.169,426 0.201,427 2.672,428 0.842,429 -0.097,430 -0.115,431 -0.251,432 -0.091,433 0.96,434 -0.025,435 2.551,436 0.538,437 -0.389,438 -0.503,439 -0.871,440 -0.359,441 0.758,442 -0.264,443 2.275,444 0.398,445 -0.511,446 -0.602,448 -1.089,449 -0.457,450 0.618,451 -0.377,452 2.176,453 0.294,454 -0.626,455 -0.72,457 -1.505,458 -0.575,459 11,460 0.458,461 0.644,462 0.027,463 33.25,464 1.385,465 16.5,466 0.688,467 16.75,468 0.698,469 17.186,470 0.716,471 26.8,472 0.623,473 25.047,474 1.044,475 6.961,476 0.29,477 4.567,478 0.19,479 0.209,481 0.4,485 1.034,486 1.499,487 0.788,488 1.222,489 1.18,490 0.976,491 1.211,492 0.737,493 0.752,494 0.656,495 0.728,496 0.617,497 1.041,498 1.414,499 0.965,500 1.231,501 0.92,502 1.098,503 0.766,504 1.225,505 1.002,506 1.273,507 0.678,508 1.22,509 1.081,510 0.854,511 1.229,512 1.041,513 1.175,514 1.146,515 0.983,516 1.018,517 0.982,518 1.078,519 0.759,520 1.049,521 1.143,522 0.841,523 1.002,524 0.876,525 1.143,526 0.903,527 0.662,528 0.988,529 0.762,530 0.962,531 0.651,532 0.898,533 5.5,534 0.091,535 2.889,536 2.285,537 1.618,538 0.973,539 0.423,540 0.372,541 0.28,542 0.178,543 5783,544 17476,545 2.015,546 44.2,548 14,549 1,551 4,555 1.672,556 1.846,557 3.195,558 1.86,559 1,560 1,562 1,564 72.254,565 1.68,566 3.826,567 4.472,568 4.722,569 4.815,570 4.955,571 2.622,572 3.887,573 4.56,574 3.321,575 916.581,576 7.883,577 10602.1,579 1,581 1,582 233.329,583 1.528,584 4.493,585 0.212,586 0.01,587 0.078,588 0.059,589 0.044,590 0.034,591 0.016,592 0.014,593 0.012,594 0.01,595 0.488,596 0.17,597 1,598 0.961,599 112.838,600 -0.137,601 -0.241,602 0.044,603 -0.129,604 -0.236,605 -0.01,606 -0.05,607 0.357,608 0.199,609 0.349,610 0.167,611 0.326,612 -0.126,613 -0.223,614 -0.102,615 -0.165,616 -0.122,617 -0.132,618 0.156,619 -0.157,620 -0.088,621 -0.233,622 0.171,623 -0.233,624 -0.101,625 0.13,626 -0.258,627 -0.067,628 -0.231,629 -0.176,630 -0.08,631 -0.125,632 0.003,633 -0.062,634 0.016,635 -0.02,636 -0.06,637 0.066,638 0.014,639 0.083,640 -0.102,641 0.073,642 0.273,643 -0.096,644 0.249,645 0.006,646 0.286,647 0.106,648 1.58,649 1.964,650 0.625,651 17.417,652 1.016,653 1.14,654 1.751,655 3.065,656 0.645,657 3.296,658 3.638,659 3.932,660 4.22,661 4.382,662 4.454,663 4.466,664 4.511,665 4.543,666 4.533,667 5.559,668 0.626,669 329.4,670 3.296,671 4.844,672 5.707,673 6.603,674 7.483,675 8.383,676 9.268,677 10.17,678 11.058,679 11.96,680 11.6,684 2,686 1,690 2,694 2,695 4,696 2,698 1,700 6,702 16,711 2,714 1,716 2,718 43,719 16,720 1,721 26,723 45,724 16,725 12,726 3,727 3,729 3,730 4,741 12,742 4,753 1,754 1,756 1,757 19,758 8,759 4,760 8,764 5,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,806 3,810 24,811 2,816 1,818 2,821 1,829 7,834 3,836 13,837 8.6,838 5.389,839 2.133,840 3.148,841 1.446,842 0.975,843 4.684,844 10.206,845 3.555,846 4.216,847 4.857,848 5.481,849 5.96,850 6.245,851 6.517,852 6.826,853 6.959,854 7.174,855 1,856 39,857 8.769,859 3.614,860 7.806,861 16.428,863 12.836,865 2.306,866 55.333,870 176.567,871 100.073,872 102.49,874 31.507,877 100.073,878 208.074,879 102.49,880 30.162,881 2.106,882 105.963,883 37.978,884 53.634,885 15.998,886 164.795,888 176.567,889 202.563,890 31.507,893 176.567,894 31.507,897 8.412,898 160.579,899 33.571,901 176.567,902 133.997,903 100.073,906 176.567,907 29.742,908 73.455,910 130.873,911 176.567,912 133.997,913 100.073,915 0.582,916 0.357,917 0.2,918 0.105,919 18,920 9,921 0.111,922 5,923 1,924 1.133,925 3.482,926 197.003,927 0.133,928 15,929 110.039,933 16.668,934 6.745,935 3.232,936 1.041,937 133.997,938 7.214,939 8.052,941 5.455,943 3.594,945 65.794,946 410.636,947 34,956 43.676,957 49.026,958 0.31,959 0.705,960 0.824,961 0.87,962 0.887,963 0.913,964 4.796,965 1.017,966 5.714,967 4.703,968 4.317,969 4.902,970 1.698,971 6.561,972 4.207,973 6.031,974 0.818,975 7.299,976 2.674,977 4.007,978 4.856,979 0.325,980 7.538,981 3.85,982 7.362,983 0.74,984 8.982,985 2.065,986 5.948,987 7.201,988 1.422,989 10.648,990 5.754,991 8.732,992 0.328,993 10.72,994 1.261,995 6.431,996 7.976,997 0.393,998 12.449,999 6.201,1000 10.133,1001 -0.097,1002 12.495,1003 0.444,1004 7.868,1005 9.818,1006 1.2,1007 15.09,1008 7.611,1009 11.556,1010 -0.389,1011 14.296,1012 -0.251,1013 8.715,1014 10.981,1015 0.384,1016 17.24,1017 8.429,1018 12.998,1019 -0.511,1020 16.118,1021 -0.871,1022 9.963,1023 12.625,1024 1.01,1025 19.719,1026 9.653,1027 3.203,1028 -0.626,1029 17.955,1030 -1.089,1031 10.976,1032 13.976,1033 0.351,1034 22.012,1035 10.641,1036 3.006,1037 11.142,1038 19.805,1039 -1.505,1040 12.154,1041 15.539,1042 0.845,1043 24.434,1044 11.796,1045 2.391,1046 10.02,1047 21.665,1048 4.609,1049 13.242,1050 16.979,1051 0.312,1052 26.785,1053 12.859,1054 2.261,1055 6.901,1056 23.533,1057 3.954,1058 14.396,1059 18.511,1060 0.702,1061 29.186,1062 13.99,1063 2.018,1064 6.529,1065 25.408,1066 3.161,1067 15.516,1068 19.992,1069 0.273,1070 31.562,1071 15.085,1072 1.977,1073 5.81,1074 27.288,1075 2.892,1076 16.664,1077 21.514,1078 0.579,1079 33.958,1080 16.209,1081 1.613,1082 5.7,1083 29.173,1084 2.788,1085 17.799,1086 23.016,1087 0.236,1088 36.345,1089 17.32,1090 5741,1091 10106,1092 16.819,1093 27.722,1094 38.932,1095 39.429,1096 41.324,1097 38.701,1098 38.745,1099 51.203,1100 5.618,1101 114.498,1102 36.434,1103 5.491,1104 5.354,1105 6.357,1106 5.248,1107 5.203,1108 7.609,1109 1.776,1110 18.08,1111 5.125,1112 13.699,1113 1.497,1114 1.516,1115 1.589,1116 1.489,1117 1.49,1118 1.969,1119 0.216,1120 4.404,1121 1.401,1122 4.093,1123 4.115,1124 4.072,1125 3.944,1126 5.363,1127 3.971,1128 3.92,1129 3.941,1130 3.878,1131 3.815,1132 4.985,1133 3.828,1134 3.491,1135 3.566,1136 3.402,1137 3.262,1138 4.949,1139 3.286,1140 3.331,1141 3.386,1142 3.215,1143 3.048,1144 4.915,1145 3.078,1146 3.281,1147 3.349,1148 3.13,1149 2.995,1150 4.603,1151 3.014,1152 3.138,1153 3.228,1154 2.96,1155 2.865,1156 4.241,1157 2.853,1158 3.08,1159 3.197,1160 2.886,1161 2.728,1162 4.136,1163 2.778,1164 2.828,1165 2.936,1166 2.605,1167 2.642,1168 4.043,1169 2.619,1170 0.179,1171 0.129,1172 0.261,1173 0.161,1174 0.123,1175 4.642,1176 0.177,1177 3.354,1178 0.035,1179 6.788,1180 0.429,1181 4.177,1182 0.12,1183 3.203,1184 4.609,1185 0.916,1186 11.142,1187 3.125,1188 1.899,1189 1.876,1190 1.991,1191 2.034,1192 1.161,1193 2.02,1194 1.806,1195 1.777,1196 1.862,1197 1.978,1198 1.009,1199 1.942,1200 1.502,1201 1.458,1202 1.685,1203 1.741,1204 0.72,1205 1.73,1206 1.25,1207 1.192,1208 1.591,1209 1.568,1210 0.585,1211 1.571,1212 1.213,1213 1.139,1214 1.535,1215 1.511,1216 0.555,1217 1.509,1218 1.125,1219 1.031,1220 1.5,1221 1.421,1222 0.518,1223 1.459,1224 0.958,1225 0.884,1226 1.252,1227 1.356,1228 0.192,1229 1.332,1230 0.882,1231 0.768,1232 1.173,1233 1.258,1234 0.135,1235 1.249,1236 3.97,1238 5.303,1239 2.398,1240 6.834,1241 4.727,1242 8.46,1243 6.843,1244 10.136,1246 5.184,1250 11.557,1252 0.522,1254 10.713,1257 2.001,1262 26.939,1263 72.254,1264 164.521,1265 192.31,1266 203.065,1267 207.065,1268 213.065,1269 34.065,1270 7.058,1271 112.66,1272 112.66,1273 17,1274 12.483,1275 4.087,1276 3.17,1277 39.161,1278 81,1279 74,1280 0.244,1281 167.536,1282 278.47,1283 400.548,1284 10155,1286 17.267,1287 0.719,1288 0.572,1289 17.267,1290 13.738,1291 11.528,1292 0.443,1293 0.279,1294 7.058,1295 10.792,1296 6.806,1297 5.718,1298 11.528,1299 7.254,1300 10.361,1301 0.28,1302 0.143,1303 10.361,1304 5.302,1305 8.797,1306 0.176,1307 0.075,1308 8.797,1309 3.76,1310 7.668,1311 0.114,1312 0.039,1313 7.668,1314 2.599,1315 5.702,1316 0.072,1317 0.02,1318 5.702,1319 1.611,1320 0.375,1321 74.363,1322 0.244,1323 23.071,1324 0.692,1325 126,1326 420.766,1327 143.875,1328 396.303,1329 544.48,1330 372,1331 150,1332 407.243,1333 168.183,1334 412.984,1335 601.21,1336 382,1337 4.569}
{0 CHEMBL23076,1 1.809,2 10.321,3 3.158,4 9.972,5 101.333,6 8.35,7 0.567,8 3.975,9 4.104,10 3.608,11 3.414,12 5.226,13 3.449,14 4.504,15 4.686,16 4.067,17 3.782,18 6.159,19 3.815,20 4.61,21 4.76,22 4.12,23 3.971,24 5.901,25 3.982,26 4.867,27 5.069,28 4.126,29 4.041,30 6.153,31 4.018,32 4.952,33 5.199,34 3.973,35 4.02,36 6.093,37 3.96,38 4.861,39 5.102,40 3.934,41 3.948,42 6.087,43 3.866,44 4.873,45 5.152,46 3.828,47 3.808,48 6.104,49 3.765,50 4.602,51 4.829,52 3.739,53 3.638,54 5.941,55 3.638,56 0.213,57 0.93,58 8.026,59 3.749,60 30.789,61 4.504,62 1.032,63 1.712,64 18.405,65 6.408,66 150.732,67 7.755,68 0.463,69 1.657,70 16.423,71 7.266,72 35.546,73 8.974,74 0.861,75 1.806,76 25.965,77 9.616,78 96.895,79 11.894,80 1.145,81 1.667,82 32.081,83 8.772,84 103.201,85 12.491,86 1.058,87 1.553,88 29.002,89 10.017,90 101.519,91 13.732,92 1.277,93 1.596,94 35.259,95 9.658,96 174.049,97 12.248,98 0.898,99 1.374,100 22.904,101 6.653,102 111.898,103 7.694,104 69,105 45,106 0.31,107 0.677,108 0.827,109 0.859,110 0.859,111 0.859,112 3.375,113 0.825,114 -4.48,115 -4.41,116 -4.15,119 38.3,120 1,124 2,125 1,131 1,139 3,140 4,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 6,169 2,170 7,172 3,173 3,175 1,178 5,180 1,181 1,182 8,187 1,189 1,191 1,192 2,193 9,195 3,196 3,197 1,198 3,200 2,201 1,204 3,205 1,207 1,212 1,215 3,218 1,220 2,221 2,223 1,224 1,226 2,229 5,231 2,233 1,234 4,241 5,246 3,248 1,249 1,251 1,254 2,256 1,259 2,260 4,262 1,263 1,265 2,270 2,273 1132,274 17.927,275 17.927,276 17.927,277 17.927,278 17.927,279 15.857,280 24.408,281 10.02,282 18.682,283 14.685,284 14.685,285 14.685,286 14.685,287 14.685,288 11.46,289 33.648,290 4.621,291 15.897,292 3.745,293 1.597,294 0.719,295 0.532,296 0.532,297 0.532,298 4.046,301 1,302 1,303 603,304 3.937,307 243.905,311 127.267,314 1.536,315 47.704,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 64.5,327 289,328 4.656,329 4.461,330 7.122,331 4.217,332 3.337,333 4.616,334 3.825,335 11.729,336 3.136,337 4.503,338 3.358,339 6.837,340 4.182,341 3.217,342 4.034,343 0.916,344 11.243,345 2.974,346 4.151,347 3.216,348 6.443,349 3.852,350 2.936,351 3.438,352 0.86,353 9.901,354 2.635,355 3.9,356 2.757,357 5.813,358 3.49,359 2.536,360 3.365,361 0.172,362 7.922,363 2.413,364 3.457,365 2.419,366 5.126,367 3.038,368 2.113,369 2.861,371 6.049,372 1.949,373 3.41,374 2.146,375 5.055,376 2.924,377 2.006,378 2.725,380 5.821,381 1.838,382 3.153,383 2.048,384 4.953,385 2.815,386 1.882,387 2.301,389 5.419,390 1.748,391 2.941,392 2.006,393 4.624,394 2.529,395 1.627,396 2.053,398 4.77,399 1.423,400 2.704,401 1.589,402 4.247,403 2.296,404 1.342,405 1.775,407 3.531,408 1.278,409 2.401,410 1.168,411 3.829,412 2.007,413 1.037,414 1.372,415 2.712,416 1.003,417 1.72,418 1.047,419 3.105,420 1.429,421 0.555,422 0.623,423 0.993,424 0.479,425 1.551,426 0.582,427 2.972,428 1.217,429 0.284,430 0.343,431 0.632,432 0.264,433 1.196,434 0.51,435 2.822,436 0.838,437 -0.111,438 -0.137,439 -0.288,440 -0.105,441 0.971,442 0.51,443 2.699,444 0.532,445 -0.388,446 -0.495,448 -0.892,449 -0.355,450 0.813,451 0.113,452 2.596,453 0.449,454 -0.471,455 -0.569,457 -1.099,458 -0.428,459 12.59,460 0.45,461 1.06,462 0.038,463 37,464 1.321,465 18,466 0.643,467 19,468 0.679,469 23.217,470 0.829,471 31.81,472 0.677,473 32.046,474 1.144,475 7.645,476 0.273,477 5.467,478 0.195,479 0.251,480 0.04,481 0.389,482 3,485 0.712,486 1.148,487 0.686,488 1.131,489 0.708,490 0.945,491 0.572,492 0.634,493 0.58,494 0.683,495 0.357,496 0.645,497 0.697,498 1.158,499 0.813,500 1.248,501 0.547,502 1.12,503 0.883,504 1.083,505 1.032,506 1.266,507 0.822,508 1.237,509 0.85,510 0.718,511 1.133,512 0.925,513 0.731,514 1.074,515 0.485,516 0.865,517 0.885,518 1.183,519 0.55,520 1.201,521 1.29,522 1.024,523 1.021,524 0.804,525 1.374,526 0.805,527 1.458,528 1.177,529 1.259,530 1.008,531 1.445,532 1.035,533 8,534 0.26,535 4.222,536 2.938,537 2.382,538 1.424,539 0.712,540 0.49,541 0.456,542 0.266,543 8638,544 32604,545 1.944,546 40.4,547 3,548 11,550 1,551 4,555 1.713,556 1.741,557 3.328,558 1.768,559 1,560 1,564 85.032,565 1.809,566 3.957,567 4.836,568 5.022,569 5.022,570 5.022,571 2.74,572 4.325,573 4.783,574 3.493,575 1320.45,576 8.328,577 17072.9,579 1,581 1,582 261.066,583 1.745,584 4.681,585 0.267,586 0.013,587 0.094,588 0.06,589 0.052,590 0.037,591 0.02,592 0.015,593 0.015,594 0.009,595 0.583,597 1,598 0.96,599 139.144,600 -0.1,601 -0.145,602 0.01,603 -0.05,604 -0.157,605 0.017,606 0.348,607 0.396,608 0.296,609 0.335,610 0.482,611 0.306,612 -0.061,613 -0.197,614 -0.07,615 -0.182,616 0.003,617 -0.142,618 -0.067,619 -0.126,620 -0.152,621 -0.247,622 -0.045,623 -0.249,624 -0.094,625 0.061,626 -0.192,627 -0.006,628 -0.09,629 -0.099,630 0.228,631 -0.074,632 0.058,633 -0.177,634 0.111,635 -0.144,636 -0.151,637 -0.024,638 0.095,639 0.193,640 -0.156,641 0.239,642 -0.296,643 -0.091,644 -0.247,645 -0.029,646 -0.257,647 -0.087,648 5.7,649 5.102,650 0.571,651 22.918,652 1.033,653 1.16,654 3.249,655 10.555,656 0.647,657 3.434,658 3.829,659 4.078,660 4.331,661 4.554,662 4.654,663 4.682,664 4.682,665 4.779,666 4.796,667 6.212,668 0.643,669 392.43,670 3.434,671 5.017,672 5.878,673 6.788,674 7.667,675 8.576,676 9.462,677 10.37,678 11.259,679 12.166,680 12.8,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,716 1,718 47,719 17,720 1,721 30,723 49,724 18,725 13,726 3,727 3,729 3,730 4,734 2,738 1,741 13,742 5,754 1,755 3,757 19,758 10,759 4,760 10,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 3,808 3,810 28,811 2,816 1,818 1,821 1,822 1,828 3,829 2.1,834 1,836 16.083,837 9.395,838 6,839 2.427,840 3.409,841 1.462,842 0.984,843 5.33,844 10.784,845 3.676,846 4.357,847 4.97,848 5.574,849 6.147,850 6.455,851 6.753,852 7.04,853 7.422,854 7.56,855 0.857,856 49,857 10.747,859 4.995,860 8.295,861 18.666,863 14.896,865 2.795,866 78.25,869 1,870 176.567,871 101.518,872 119.275,874 11,875 44.88,877 101.518,878 187.566,879 164.156,880 28.105,881 2.106,882 94.223,883 62.128,884 89.897,885 4.227,886 164.795,887 7.76,888 176.567,889 220.793,890 55.88,893 178.282,894 55.88,897 29.637,898 139.085,899 50.357,901 221.447,902 130.275,903 101.518,906 184.326,907 28.178,908 68.705,910 172.031,911 176.567,912 175.156,913 101.518,915 0.604,916 0.352,917 0.184,918 0.1,919 22,920 12,921 0.082,922 4,923 1,924 1.125,925 3.693,926 246.57,927 0.125,928 16,929 129.851,933 20.12,934 7.418,935 3.988,936 0.932,937 175.156,938 4.942,939 12.272,943 1.645,945 65.794,946 453.24,947 38.5,956 48.545,957 54.54,958 0.326,959 0.712,960 0.871,961 0.904,962 0.904,963 0.904,964 4.958,965 1.627,966 5.943,967 5.419,968 4.511,969 5.043,970 3.171,971 6.838,972 4.367,973 6.227,974 1.342,975 7.573,976 4.77,977 4.443,978 5.112,979 3.911,980 8.055,981 4.167,982 7.585,983 1.037,984 9.308,985 3.531,986 6.244,987 7.351,988 5.429,989 11.09,990 5.963,991 8.976,992 0.555,993 11.103,994 2.712,995 6.909,996 8.159,997 6.69,998 13.054,999 6.501,1000 10.395,1001 0.284,1002 12.935,1003 0.993,1004 8.29,1005 9.962,1006 8.058,1007 15.686,1008 7.861,1009 11.834,1010 -0.111,1011 14.792,1012 0.632,1013 9.257,1014 11.122,1015 9.389,1016 17.935,1017 8.72,1018 13.288,1019 -0.388,1020 16.668,1021 -0.288,1022 10.498,1023 12.75,1024 10.734,1025 20.437,1026 9.921,1027 3.337,1028 -0.471,1029 18.557,1030 -0.892,1031 11.589,1032 14.088,1033 12.074,1034 22.798,1035 10.923,1036 3.217,1037 11.729,1038 20.457,1039 -1.099,1040 12.784,1041 15.643,1042 13.416,1043 25.255,1044 12.065,1045 2.936,1046 11.243,1047 22.365,1048 4.616,1049 13.926,1050 17.07,1051 14.758,1052 27.661,1053 13.131,1054 2.536,1055 9.901,1056 24.28,1057 4.034,1058 15.109,1059 18.597,1060 16.1,1061 30.105,1062 14.254,1063 2.113,1064 7.922,1065 26.201,1066 3.438,1067 16.273,1068 20.069,1069 17.441,1070 32.531,1071 15.349,1072 2.006,1073 6.049,1074 28.125,1075 3.365,1076 17.453,1077 21.587,1078 18.783,1079 34.972,1080 16.468,1081 1.882,1082 5.821,1083 30.054,1084 2.861,1085 18.628,1086 23.083,1087 20.124,1088 37.407,1089 17.577,1090 8612,1091 16901,1092 18.611,1093 30.392,1094 46.294,1095 46.028,1096 48.31,1097 45.91,1098 45.744,1099 59.01,1100 11.548,1101 141.445,1102 42.279,1103 5.502,1104 6.461,1105 6.662,1106 5.292,1107 5.337,1108 7.616,1109 5.335,1110 19.021,1111 5.136,1112 19.137,1113 1.543,1114 1.534,1115 1.61,1116 1.53,1117 1.525,1118 1.967,1119 0.385,1120 4.715,1121 1.409,1122 4.078,1123 4.117,1124 4.053,1125 3.965,1126 8.513,1127 3.981,1128 3.946,1129 3.972,1130 3.916,1131 3.849,1132 7.999,1133 3.859,1134 3.578,1135 3.646,1136 3.517,1137 3.383,1138 7.999,1139 3.406,1140 3.407,1141 3.465,1142 3.389,1143 3.138,1144 5.321,1145 3.174,1146 3.305,1147 3.379,1148 3.158,1149 3.034,1150 4.981,1151 3.056,1152 3.163,1153 3.261,1154 3.049,1155 2.927,1156 4.849,1157 2.938,1158 3.111,1159 3.19,1160 2.946,1161 2.804,1162 4.795,1163 2.818,1164 3.023,1165 3.153,1166 2.816,1167 2.706,1168 4.349,1169 2.724,1170 0.155,1171 0.149,1172 0.237,1173 0.141,1174 0.111,1175 4.656,1176 0.154,1177 4.461,1178 0.128,1179 7.122,1180 0.391,1181 4.217,1182 0.105,1183 3.337,1184 4.616,1185 3.825,1186 11.729,1187 3.136,1188 2,1189 1.97,1190 2.066,1191 2.135,1192 1.245,1193 2.114,1194 1.898,1195 1.877,1196 1.976,1197 2.019,1198 1.109,1199 2.004,1200 1.507,1201 1.444,1202 1.69,1203 1.738,1204 0.813,1205 1.726,1206 1.302,1207 1.224,1208 1.581,1209 1.581,1210 0.577,1211 1.579,1212 1.223,1213 1.159,1214 1.572,1215 1.549,1216 0.564,1217 1.549,1218 1.12,1219 1.03,1220 1.447,1221 1.401,1222 0.536,1223 1.41,1224 0.975,1225 0.911,1226 1.263,1227 1.337,1228 0.203,1229 1.341,1230 0.946,1231 0.827,1232 1.198,1233 1.32,1234 0.169,1235 1.253,1236 4.111,1238 5.485,1240 7.05,1242 8.705,1244 10.407,1246 4.905,1248 39.306,1250 11.547,1252 0.274,1254 5.226,1257 1.651,1258 -4.45,1262 30.208,1263 85.032,1264 185.992,1265 227.291,1266 236.046,1267 236.046,1268 236.046,1269 66.675,1270 7.375,1271 103.18,1272 103.18,1273 18,1274 12.686,1275 4.17,1276 3.248,1277 49.596,1278 106,1279 100,1280 0.234,1281 186.19,1282 322.06,1283 446.063,1284 15144,1285 6.4,1286 20.637,1287 0.737,1288 0.554,1289 18.137,1290 15.502,1291 13.112,1292 0.437,1293 0.275,1294 8.034,1295 12.294,1296 7.785,1297 6.48,1298 11.901,1299 8.25,1300 13.009,1301 0.289,1302 0.14,1303 11.051,1304 6.315,1305 10.142,1306 0.175,1307 0.077,1308 9.18,1309 4.459,1310 8.533,1311 0.114,1312 0.04,1313 7.966,1314 2.998,1315 6.54,1316 0.07,1317 0.021,1318 6.201,1319 1.965,1320 0.363,1321 84.547,1322 0.232,1323 26.333,1324 0.657,1325 150,1326 647.274,1327 180.137,1328 544.938,1329 715.85,1330 504,1331 178,1332 509.799,1333 202.013,1334 501.002,1335 750.95,1336 465,1337 6.638}
{0 CHEMBL23092,1 1.6,2 10,3 3.012,4 9.07,5 88.072,6 8.565,7 0.739,8 3.676,9 3.81,10 3.351,11 3.252,12 4.878,13 3.24,14 4.121,15 4.278,16 3.728,17 3.63,18 5.335,19 3.589,20 4.354,21 4.546,22 3.738,23 3.73,24 5.468,25 3.661,26 4.365,27 4.593,28 3.513,29 3.621,30 5.443,31 3.514,32 4.297,33 4.558,34 3.346,35 3.485,36 5.291,37 3.369,38 4.171,39 4.433,40 3.197,41 3.385,42 5.165,43 3.251,44 4.012,45 4.267,46 3.108,47 3.273,48 4.946,49 3.143,50 3.787,51 4.008,52 3.176,53 3.123,54 4.905,55 3.032,56 0.065,57 0.557,58 5.884,59 2.552,60 10.885,61 3.23,62 0.149,63 0.839,64 10.306,65 4.627,66 17.931,67 6.041,68 0.178,69 0.98,70 16.752,71 5.734,72 22.678,73 7.504,74 0.228,75 0.953,76 18.052,77 6.118,78 31.138,79 8.286,80 0.227,81 0.862,82 16.848,83 5.646,84 31.056,85 7.968,86 0.257,87 0.745,88 15.93,89 5.247,90 30.859,91 7.249,92 0.16,93 0.61,94 15.145,95 4.819,96 20.771,97 6.621,98 0.096,99 0.521,100 9.649,101 3.592,102 15.145,103 4.883,104 10,105 32,106 0.291,107 0.636,108 0.757,109 0.859,110 0.859,111 0.859,112 3.102,113 0.888,114 -4.76,115 -4.68,116 -4.39,119 42.9,125 1,139 7,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 3,172 3,173 3,175 4,178 8,180 1,182 3,187 5,189 6,191 1,193 3,195 1,196 1,197 1,198 6,200 2,201 2,204 4,205 1,207 1,212 4,215 6,218 3,224 2,225 1,226 1,228 1,229 8,231 1,241 5,246 4,250 1,251 2,253 1,254 2,256 2,260 4,265 2,268 2,270 2,273 544,274 14.033,275 14.033,276 14.033,277 14.033,278 14.033,279 11.92,280 17.638,281 8.242,282 14.405,283 11.354,284 11.354,285 11.354,286 11.354,287 11.354,288 8.221,289 23.989,290 3.965,291 12.026,292 3.529,293 1.626,294 0.961,295 0.4,296 0.4,297 0.4,298 3.784,299 1,300 1,301 1,302 1,303 452,304 2.345,307 172.441,311 89.815,314 1.429,315 16.343,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 44.833,327 210,328 4.541,329 3.132,330 6.502,331 4.048,332 3.079,333 4.491,334 0.657,335 10.175,336 2.99,337 4.016,338 2.955,339 5.447,340 3.585,341 2.632,342 3.616,344 7.253,345 2.502,346 3.768,347 2.708,348 5.277,349 3.359,350 2.399,351 3.232,353 6.783,354 2.303,355 3.444,356 2.41,357 5.062,358 3.004,359 2.104,360 2.811,362 5.811,363 1.901,364 3.422,365 2.17,366 4.973,367 2.951,368 2.02,369 2.744,371 5.781,372 1.863,373 3.338,374 2.035,375 4.873,376 2.881,377 1.938,378 2.645,380 5.619,381 1.738,382 2.5,383 1.078,384 3.71,385 2,386 1.009,387 1.5,389 2.565,390 1,391 2.454,392 1.046,393 3.414,394 1.984,395 1,396 1.435,398 2.275,399 0.981,400 1.964,401 1,402 3.266,403 1.701,404 0.771,405 0.888,407 1.81,408 0.704,409 1.419,410 0.471,411 2.742,412 1.012,413 0.087,414 0.111,415 0.211,416 0.076,417 1.068,418 0.096,419 2.57,420 0.636,421 -0.233,422 -0.288,423 -0.526,424 -0.174,425 0.957,426 -0.294,427 2.432,428 0.474,429 -0.448,430 -0.578,431 -1.155,432 -0.409,433 0.59,434 -0.444,435 2.106,436 0.161,437 -0.778,438 -0.936,439 -1.975,440 -0.668,441 0.5,442 -0.726,443 2,444 0.132,445 -0.816,446 -1.11,448 -2.38,449 -0.787,450 0.44,451 -0.865,452 1.691,454 -1,455 -1.405,457 -2.876,458 -0.943,459 10.214,460 0.486,461 0.558,462 0.027,463 31.25,464 1.488,465 17.5,466 0.833,467 13.75,468 0.655,469 12.741,470 0.607,471 21.586,472 0.617,473 20.317,474 0.967,475 6.224,476 0.296,477 3.89,478 0.185,479 0.148,481 0.343,485 1.024,486 1.103,487 0.625,488 0.732,489 1.195,490 0.726,491 0.578,492 0.986,493 0.643,494 0.899,495 0.436,496 0.889,497 1.144,498 1.215,499 1.035,500 1.086,501 0.929,502 1.067,503 0.933,504 1.131,505 1.007,506 1.174,507 0.852,508 1.186,509 0.775,510 1.024,511 0.702,512 0.977,513 0.95,514 1.022,515 0.821,516 0.666,517 0.893,518 0.889,519 1.028,520 1,521 0.895,522 0.835,523 0.998,524 0.942,525 0.871,526 0.94,527 0.725,528 1.099,529 0.753,530 0.971,531 0.727,532 0.957,533 5,534 0.124,535 2.222,536 1.063,537 1.44,538 0.41,539 0.221,540 0.311,541 0.164,542 0.107,543 4651,544 14777,545 2.074,546 40,548 9,551 5,555 1.626,556 1.938,557 3.278,558 2.798,560 1,562 1,564 56.009,565 1.6,566 3.503,567 4.168,568 4.729,569 4.729,570 4.729,571 2.72,572 3.88,573 4.364,574 3.401,575 714.26,576 7.447,577 7655.78,578 1,579 1,580 1,581 1,582 179.525,583 1.418,584 4.322,585 0.217,586 0.014,587 0.069,588 0.034,589 0.06,590 0.02,591 0.013,592 0.019,593 0.01,594 0.008,595 0.466,596 0.33,597 1,598 0.61,599 95.864,600 -0.216,601 0.071,602 -0.016,603 0.138,604 -0.328,605 0.107,606 0.209,607 0.114,608 0.057,609 0.016,610 0.252,611 0.002,612 -0.205,613 -0.183,614 -0.15,615 -0.148,616 -0.118,617 -0.146,618 -0.046,619 -0.156,620 -0.157,621 -0.228,622 0.02,623 -0.225,624 0.015,625 -0.084,626 0.039,627 -0.035,628 -0.042,629 -0.026,630 0.039,631 0.27,632 -0.038,633 0.08,634 -0.12,635 0.007,636 -0.058,637 0.041,638 0.008,639 0.092,640 -0.075,641 0.117,642 0.119,643 -0.15,644 0.151,645 0.015,646 0.194,647 0.037,648 1.48,649 1.884,650 0.762,651 16.29,652 1.007,653 1.129,654 3.532,655 12.479,656 0.706,657 3.178,658 3.497,659 3.714,660 3.951,661 4.205,662 4.159,663 4.174,664 4.277,665 4.369,666 4.317,667 5.72,668 0.673,669 299.79,670 3.178,671 4.71,672 5.541,673 6.409,674 7.258,675 8.127,676 8.983,677 9.853,678 10.714,679 11.586,680 14.3,684 2,685 1,690 2,694 2,695 7,696 2,700 5,702 17,711 2,712 1,717 1,718 35,719 17,720 2,721 23,723 37,724 15,725 14,726 5,727 7,729 3,730 4,731 1,741 14,742 1,753 1,754 1,757 14,758 5,759 5,760 6,761 1,764 5,769 0.667,776 1,781 3,785 1,802 2,807 1,810 21,811 2,816 1,817 1,828 1,836 10.833,837 6.043,838 4.556,839 1.84,840 3.298,841 1.484,842 1.034,843 3.816,844 10.109,845 3.481,846 4.143,847 4.734,848 5.334,849 5.941,850 6.131,851 6.427,852 6.799,853 7.204,854 7.214,855 0.857,856 31,857 7.663,859 3.216,860 7.775,861 14.469,863 11.666,865 2.275,866 47.778,870 105.94,871 86.826,872 117.376,873 39.149,877 86.826,878 145.089,879 117.376,881 2.106,882 132.128,883 51.582,884 14.16,885 4.227,886 105.94,887 39.149,888 105.94,889 204.203,891 39.149,893 105.94,897 6.149,898 146.472,899 90.73,901 105.94,902 117.376,903 125.975,906 105.94,907 20.493,908 66.334,909 18.011,910 138.514,911 105.94,912 117.376,913 125.975,915 0.586,916 0.329,917 0.173,918 0.101,919 16,920 7,921 0.081,922 3,923 1,924 1.125,925 3.403,926 157.042,927 0.125,928 16,929 88.239,933 13.922,934 5.756,935 3.175,936 1.551,937 117.376,938 13.396,939 8.137,943 3.38,945 83.805,946 349.291,947 31.5,956 35.251,957 39.512,958 0.312,959 0.683,960 0.813,961 0.922,962 0.922,963 0.922,964 4.694,965 1,966 5.525,967 2.565,968 4.174,969 4.828,970 0.623,971 6.293,972 4.07,973 5.923,974 0.771,975 7.059,976 2.275,977 3.761,978 4.691,980 7.081,981 3.568,982 7.235,983 0.087,984 8.684,985 1.81,986 5.733,987 7.104,988 0.317,989 10.141,990 5.55,991 8.581,992 -0.233,993 10.361,994 0.211,995 6.066,996 7.744,998 11.738,999 5.816,1000 9.953,1001 -0.448,1002 12.073,1003 -0.526,1004 7.541,1005 9.654,1006 0.149,1007 14.336,1008 7.296,1009 11.345,1010 -0.778,1011 13.81,1012 -1.155,1013 8.245,1014 10.698,1016 16.322,1017 7.954,1018 12.755,1019 -0.816,1020 15.568,1021 -1.975,1022 9.506,1023 12.383,1024 0.067,1025 18.75,1026 9.211,1027 3.079,1028 -1,1029 17.342,1030 -2.38,1031 10.409,1032 13.65,1034 20.923,1035 10.078,1036 2.632,1037 10.175,1038 19.131,1039 -2.876,1040 11.576,1041 15.229,1042 0.03,1043 23.286,1044 11.233,1045 2.399,1046 7.253,1047 20.933,1048 4.491,1049 12.583,1050 16.612,1052 25.541,1053 12.21,1054 2.104,1055 6.783,1056 22.746,1057 3.616,1058 13.713,1059 18.144,1060 0.013,1061 27.878,1062 13.321,1063 2.02,1064 5.811,1065 24.569,1066 3.232,1067 14.774,1068 19.587,1070 30.17,1071 14.354,1072 1.938,1073 5.781,1074 26.399,1075 2.811,1076 15.891,1077 21.098,1078 0.006,1079 32.497,1080 15.449,1081 1.009,1082 5.619,1083 28.237,1084 2.744,1085 16.979,1086 22.57,1088 34.804,1089 16.51,1090 4506,1091 8126,1092 15.315,1093 24.693,1094 34.34,1095 34.671,1096 34.962,1097 34.267,1098 34.079,1099 46.945,1100 1.315,1101 96.565,1102 32.118,1103 5.363,1104 5.132,1105 5.916,1106 5.12,1107 5.079,1108 7.491,1109 1.315,1110 17.069,1111 4.99,1112 9.979,1113 1.493,1114 1.507,1115 1.52,1116 1.49,1117 1.482,1118 2.041,1119 0.057,1120 4.198,1121 1.396,1122 4.073,1123 4.108,1124 4.048,1125 3.986,1126 5.308,1127 3.994,1128 3.896,1129 3.926,1130 3.979,1131 3.833,1132 4.982,1133 3.827,1134 3.534,1135 3.6,1136 3.507,1137 3.352,1138 4.949,1139 3.373,1140 3.199,1141 3.28,1142 3.332,1143 3.006,1144 4.695,1145 3.013,1146 3.127,1147 3.236,1148 3.027,1149 2.885,1150 4.41,1151 2.904,1152 2.854,1153 2.925,1154 2.93,1155 2.735,1156 4.161,1157 2.715,1158 2.842,1159 2.9,1160 2.687,1161 2.709,1162 3.867,1163 2.702,1164 2.685,1165 2.795,1166 2.512,1167 2.397,1168 3.699,1169 2.408,1170 0.197,1171 0.136,1172 0.283,1173 0.176,1174 0.134,1175 4.541,1176 0.195,1177 3.132,1178 0.029,1179 6.502,1180 0.442,1181 4.048,1182 0.13,1183 3.079,1184 4.491,1185 0.657,1186 10.175,1187 2.99,1188 2.021,1189 1.994,1190 2.092,1191 2.131,1192 1.235,1193 2.119,1194 1.876,1195 1.851,1196 1.967,1197 1.969,1198 1.06,1199 1.977,1200 1.467,1201 1.408,1202 1.616,1203 1.686,1204 0.74,1205 1.676,1206 1.145,1207 1.073,1208 1.38,1209 1.4,1210 0.347,1211 1.404,1212 1.037,1213 0.953,1214 1.291,1215 1.386,1216 0.218,1217 1.371,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.146,1223 1.107,1224 0.802,1225 0.75,1226 1.053,1227 1.003,1228 0.043,1229 1.027,1230 0.652,1231 0.534,1232 0.962,1233 0.959,1235 0.978,1236 3.85,1238 5.165,1240 6.673,1242 8.274,1244 9.923,1247 5.859,1250 11.468,1252 0.668,1253 3.319,1262 23.569,1263 56.009,1264 122.612,1265 145.873,1266 165.525,1267 165.525,1268 165.525,1269 25.626,1270 6.811,1271 89.85,1272 89.85,1273 18,1274 12.13,1275 4.17,1276 3.248,1277 32.418,1278 72,1279 73,1280 0.222,1281 151.361,1282 247.37,1283 361.08,1284 7763,1285 2.9,1286 14.82,1287 0.706,1288 0.568,1289 15.32,1290 11.932,1291 10.114,1292 0.44,1293 0.296,1294 6.388,1295 9.535,1296 6.22,1297 5.16,1298 10.403,1299 6.805,1300 9.36,1301 0.293,1302 0.16,1303 9.768,1304 5.115,1305 7.485,1306 0.187,1307 0.085,1308 7.774,1309 3.4,1310 6.123,1311 0.12,1312 0.044,1313 6.289,1314 2.226,1315 5.137,1316 0.078,1317 0.024,1318 5.372,1319 1.588,1320 0.351,1321 65.709,1322 0.256,1323 21.037,1324 0.599,1325 110,1326 302.451,1327 133.623,1328 335.736,1329 455.05,1330 312,1331 127,1332 320.877,1333 144.252,1334 338.94,1335 490.99,1336 319,1337 7.137}
{0 CHEMBL23146,1 1.778,2 10.727,3 1.815,4 3.296,5 85.895,6 8.734,7 0.708,8 3.718,9 3.839,10 3.463,11 3.266,12 4.954,13 3.251,14 4.165,15 4.319,16 3.81,17 3.612,18 5.397,19 3.568,20 4.279,21 4.442,22 3.873,23 3.688,24 5.491,25 3.63,26 4.281,27 4.468,28 3.675,29 3.625,30 5.452,31 3.516,32 4.268,33 4.51,34 3.499,35 3.51,36 5.3,37 3.386,38 4.152,39 4.411,40 3.433,41 3.364,42 5.148,43 3.236,44 3.907,45 4.12,46 3.17,47 3.226,48 4.883,49 3.103,50 3.724,51 3.901,52 3.175,53 3.067,54 4.909,55 3.026,56 0.09,57 0.609,58 6.217,59 2.897,60 11.506,61 3.228,62 0.278,63 0.909,64 14.068,65 5.405,66 24.437,67 5.875,68 0.313,69 1.027,70 15.692,71 5.491,72 25.626,73 5.973,74 0.303,75 0.974,76 17.263,77 6.236,78 30.466,79 7.204,80 0.265,81 0.881,82 16.628,83 5.775,84 30.139,85 7.466,86 0.278,87 0.786,88 16.896,89 4.765,90 29.055,91 6.397,92 0.199,93 0.62,94 16.176,95 4.975,96 16.555,97 5.484,98 0.147,99 0.543,100 7.409,101 2.782,102 13.79,103 3.646,104 11,105 33,106 0.321,107 0.687,108 0.799,109 0.839,110 0.839,111 0.839,112 3.146,113 0.932,114 -3.66,115 -3.63,116 -3.45,119 38.9,124 1,125 1,139 4,141 2,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 2,169 2,170 2,172 3,173 3,178 4,181 3,182 3,184 1,185 1,189 4,192 1,193 1,195 3,196 3,197 1,200 2,205 1,207 3,209 1,210 1,221 6,226 1,231 1,234 2,245 1,246 4,251 3,256 3,259 1,260 4,265 2,270 2,273 628,274 14.903,275 14.903,276 14.903,277 14.903,278 14.903,279 12.843,280 15.917,281 8.74,282 15.556,283 11.782,284 11.782,285 11.782,286 11.782,287 11.782,288 8.644,289 16.662,290 4.104,291 12.782,292 3.392,293 1.367,294 0.743,295 0.521,296 0.521,297 0.521,298 3.829,300 1,301 1,302 1,303 506,304 2.55,307 185.24,311 97.065,314 1.57,315 19.153,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48,327 236,328 4.541,329 4.435,330 6.502,331 4.02,332 3.079,333 4.491,334 3.272,335 10.175,336 2.897,337 4.039,338 3.154,339 5.496,340 3.595,341 2.66,342 3.636,343 0.86,344 7.384,345 2.483,346 3.771,347 2.96,348 5.31,349 3.348,350 2.414,351 3.233,353 6.871,354 2.251,355 3.484,356 2.76,357 5.091,358 3.064,359 2.167,360 2.811,362 6.222,363 1.926,364 3.426,365 2.285,366 5.061,367 2.954,368 2.029,369 2.781,371 5.8,372 1.87,373 3.351,374 2.101,375 4.961,376 2.869,377 1.946,378 2.666,380 5.73,381 1.791,382 2.5,383 1.902,384 3.71,385 2,386 1.01,387 1.5,389 2.565,390 1,391 2.454,392 1.273,393 3.414,394 1.919,395 1,396 1.435,398 2.275,399 0.917,400 2.007,401 1.058,402 3.293,403 1.662,404 0.834,405 0.945,407 1.875,408 0.676,409 1.64,410 1,411 2.807,412 1.33,413 0.468,414 0.528,415 0.772,416 0.398,417 1.342,418 0.609,419 2.671,420 0.905,421 0.021,422 0.027,423 0.049,424 0.018,425 0.976,426 0.233,427 2.531,428 0.493,429 -0.414,430 -0.522,431 -0.91,432 -0.37,433 0.82,434 -0.293,435 2.37,436 0.421,437 -0.483,438 -0.6,439 -1.166,440 -0.43,441 0.573,442 -0.469,443 2.05,444 0.114,445 -0.814,446 -1.027,448 -2.025,449 -0.742,450 0.5,451 -0.533,452 2,453 0.073,454 -0.843,455 -1.127,457 -2.42,458 -0.778,459 10.567,460 0.48,461 0.52,462 0.024,463 33,464 1.5,465 18,466 0.818,467 15,468 0.682,469 13.747,470 0.625,471 23.033,472 0.64,473 21.361,474 0.971,475 6.397,476 0.291,477 4.255,478 0.193,479 0.123,481 0.331,485 1.064,486 1.229,487 0.727,488 0.865,489 1.248,490 0.801,491 0.995,492 0.935,493 0.977,494 0.964,495 0.64,496 0.807,497 1.129,498 1.061,499 1.165,500 1.09,501 0.953,502 0.985,503 0.803,504 1.077,505 1.285,506 1.329,507 0.758,508 1.258,509 0.714,510 0.993,511 0.865,512 0.984,513 0.955,514 1.078,515 0.867,516 0.916,517 0.915,518 0.909,519 1.066,520 0.908,521 1.079,522 1.049,523 1.585,524 1.369,525 0.816,526 1.018,527 0.831,528 1.277,529 0.766,530 1.065,531 0.886,532 1.116,533 5,534 0.132,535 2.222,536 1.063,537 1.48,538 0.472,539 0.221,540 0.311,541 0.164,542 0.107,543 5336,544 16754,545 2.07,546 38.9,548 9,550 1,551 4,555 1.638,556 1.941,557 3.368,558 1.959,559 1,560 1,562 1,564 64.002,565 1.778,566 3.803,567 4.427,568 4.649,569 4.649,570 4.649,571 2.88,572 4.278,573 4.43,574 3.498,575 808.036,576 7.576,577 9046.22,578 1,579 1,581 1,582 186.117,583 1.395,584 4.392,585 0.208,586 0.012,587 0.067,588 0.032,589 0.057,590 0.022,591 0.012,592 0.018,593 0.01,594 0.007,595 0.447,596 0.17,597 1,598 0.797,599 102.682,600 -0.194,601 -0.089,602 0.035,603 0.061,604 -0.309,605 0.059,606 0.072,607 0.147,608 0.045,609 0.102,610 0.204,611 0.12,612 -0.1,613 0.06,614 -0.116,615 -0.035,616 -0.068,617 -0.088,618 0.065,619 -0.037,620 -0.206,621 -0.24,622 0.127,623 -0.285,624 0.015,625 -0.064,626 0.064,627 -0.037,628 -0.046,629 -0.061,630 -0.061,631 0.018,632 0.172,633 0.112,634 -0.135,635 0.127,636 -0.159,637 -0.074,638 -0.225,639 -0.087,640 -0.049,641 0.062,642 0.065,643 -0.273,644 -0.035,645 -0.222,646 0.058,647 -0.207,648 1.57,649 1.811,650 0.727,651 18.231,652 1.015,653 1.133,654 2.427,655 5.89,656 0.7,657 3.219,658 3.526,659 3.761,660 3.989,661 4.234,662 4.22,663 4.234,664 4.304,665 4.419,666 4.369,667 6.066,668 0.67,669 314.41,670 3.219,671 4.745,672 5.58,673 6.444,674 7.295,675 8.163,676 9.02,677 9.889,678 10.75,679 11.621,680 16.7,684 2,690 4,694 2,695 5,696 4,700 5,702 17,711 2,716 1,718 36,719 17,720 1,721 24,723 38,724 14,725 12,726 2,727 4,729 3,730 4,741 12,742 2,753 1,754 1,757 14,758 7,759 4,760 8,761 1,764 6,769 0.667,770 1,774 1,776 1,781 3,785 1,802 2,803 1,804 1,806 1,810 22,811 2,816 1,818 1,819 1,829 2.8,834 1,836 11.333,837 6.717,838 4.889,839 1.806,840 3.313,841 1.479,842 1.002,843 4.27,844 10.226,845 3.512,846 4.159,847 4.76,848 5.355,849 5.958,850 6.167,851 6.462,852 6.807,853 7.218,854 7.236,855 1,856 33,857 8.027,859 3.328,860 7.795,861 15.064,863 11.852,865 2.295,866 50.5,870 117.711,871 108.592,872 132.936,874 11,876 32.22,877 76.373,878 128.711,879 132.936,880 10.883,881 0.9,882 103.699,883 78.913,884 33.458,885 4.227,886 138.159,888 117.711,889 209.309,890 11,891 32.22,893 119.426,894 11,897 16.747,898 123.705,899 67.142,900 32.22,901 117.711,902 143.936,903 108.592,906 117.711,907 50.757,908 57.835,910 143.936,911 117.711,912 143.936,913 108.592,915 0.579,916 0.335,917 0.176,918 0.099,919 16,920 7,921 0.105,922 4,923 1,924 1.125,925 3.505,926 166.281,927 0.125,928 16,929 94.107,930 1,933 14.818,934 6.34,935 3.4,936 0.88,937 143.936,938 9.503,939 16.595,943 3.084,945 65.794,946 370.239,947 32.5,956 36.549,957 40.78,958 0.344,959 0.736,960 0.856,961 0.899,962 0.899,963 0.899,964 4.721,965 1,966 5.557,967 2.565,968 4.205,969 4.844,970 3.174,971 6.326,972 4.051,973 5.941,974 0.834,975 7.091,976 2.275,977 3.761,978 4.691,980 7.125,981 3.552,982 7.251,983 0.468,984 8.717,985 1.875,986 5.765,987 7.115,988 5.444,989 10.178,990 5.477,991 8.597,992 0.021,993 10.396,994 0.772,995 6.089,996 7.754,998 11.78,999 5.74,1000 9.969,1001 -0.414,1002 12.11,1003 0.049,1004 7.573,1005 9.664,1006 7.807,1007 14.366,1008 7.164,1009 11.362,1010 -0.483,1011 13.848,1012 -0.91,1013 8.274,1014 10.708,1016 16.35,1017 7.803,1018 12.772,1019 -0.814,1020 15.605,1021 -1.166,1022 9.536,1023 12.392,1024 10.177,1025 18.771,1026 9.012,1027 3.079,1028 -0.843,1029 17.378,1030 -2.025,1031 10.437,1032 13.658,1034 20.94,1035 9.85,1036 2.66,1037 10.175,1038 19.166,1039 -2.42,1040 11.604,1041 15.235,1042 12.548,1043 23.298,1044 10.965,1045 2.414,1046 7.384,1047 20.966,1048 4.491,1049 12.609,1050 16.618,1052 25.551,1053 11.908,1054 2.167,1055 6.871,1056 22.776,1057 3.636,1058 13.737,1059 18.149,1060 14.919,1061 27.885,1062 12.983,1063 2.029,1064 6.222,1065 24.596,1066 3.233,1067 14.796,1068 19.591,1070 30.175,1071 13.98,1072 1.946,1073 5.8,1074 26.424,1075 2.811,1076 15.911,1077 21.102,1078 17.29,1079 32.501,1080 15.04,1081 1.01,1082 5.73,1083 28.26,1084 2.781,1085 16.997,1086 22.574,1088 34.807,1089 16.066,1090 5188,1091 9327,1092 16.008,1093 25.182,1094 35.343,1095 38.732,1096 36.293,1097 35.19,1098 35.255,1099 48.104,1100 8.265,1101 99.436,1102 32.452,1103 5.365,1104 6.435,1105 6.057,1106 5.134,1107 5.079,1108 7.491,1109 6.545,1110 17.069,1111 4.897,1112 10.418,1113 1.473,1114 1.614,1115 1.512,1116 1.466,1117 1.469,1118 2.004,1119 0.344,1120 4.143,1121 1.352,1122 4.029,1123 4.079,1124 4.074,1125 3.899,1126 5.341,1127 3.901,1128 3.886,1129 3.905,1130 3.939,1131 3.806,1132 4.989,1133 3.812,1134 3.503,1135 3.565,1136 3.568,1137 3.368,1138 4.874,1139 3.353,1140 3.254,1141 3.314,1142 3.288,1143 3.032,1144 4.847,1145 3.019,1146 3.101,1147 3.22,1148 2.993,1149 2.854,1150 4.366,1151 2.831,1152 3.038,1153 3.117,1154 2.964,1155 2.779,1156 4.211,1157 2.818,1158 2.854,1159 2.925,1160 2.687,1161 2.735,1162 4.046,1163 2.715,1164 2.706,1165 2.771,1166 2.654,1167 2.565,1168 3.674,1169 2.555,1170 0.189,1171 0.185,1172 0.271,1173 0.168,1174 0.128,1175 4.541,1176 0.187,1177 4.435,1178 0.136,1179 6.502,1180 0.424,1181 4.02,1182 0.121,1183 3.079,1184 4.491,1185 3.272,1186 10.175,1187 2.897,1188 1.921,1189 1.886,1190 1.967,1191 2.104,1192 1.103,1193 2.066,1194 1.862,1195 1.837,1196 1.936,1197 1.951,1198 0.978,1199 1.962,1200 1.436,1201 1.388,1202 1.574,1203 1.645,1204 0.714,1205 1.637,1206 1.195,1207 1.128,1208 1.552,1209 1.5,1210 0.571,1211 1.522,1212 0.995,1213 0.917,1214 1.269,1215 1.378,1216 0.218,1217 1.359,1218 0.971,1219 0.871,1220 1.197,1221 1.225,1222 0.182,1223 1.254,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1228 0.033,1229 1.107,1230 0.691,1231 0.634,1232 0.914,1233 0.902,1235 0.925,1236 3.892,1238 5.198,1240 6.706,1242 8.305,1244 9.954,1246 1.645,1250 11.348,1252 0.666,1254 5.133,1255 1.646,1262 24.138,1263 64.002,1264 136.898,1265 159.362,1266 167.362,1267 167.362,1268 167.362,1269 27.294,1270 6.913,1271 112.83,1272 138.13,1273 18,1274 12.165,1275 4.17,1276 3.248,1277 34.768,1278 80,1279 86,1280 0.214,1281 155.357,1282 253.16,1283 370.831,1284 8904,1286 15.527,1287 0.706,1288 0.576,1289 15.88,1290 12.67,1291 10.652,1292 0.444,1293 0.311,1294 6.434,1295 9.692,1296 6.176,1297 5.145,1298 11.106,1299 7.455,1300 9.529,1301 0.289,1302 0.167,1303 10.107,1304 5.514,1305 7.894,1306 0.188,1307 0.095,1308 8.589,1309 3.993,1310 6.433,1311 0.121,1312 0.05,1313 7.062,1314 2.664,1315 5.234,1316 0.077,1317 0.028,1318 5.92,1319 1.889,1320 0.34,1321 71.826,1322 0.25,1323 22.009,1324 0.569,1325 114,1326 363.801,1327 149.374,1328 375.071,1329 515.33,1330 352,1331 132,1332 370.208,1333 163.439,1334 388.739,1335 564.75,1336 363,1337 4.991}
{0 CHEMBL23153,1 1.843,2 9.273,3 3.056,4 9.337,5 89.827,6 9.663,7 0.667,8 3.701,9 3.816,10 3.472,11 3.234,12 4.931,13 3.243,14 4.172,15 4.327,16 3.896,17 3.628,18 5.408,19 3.617,20 4.337,21 4.483,22 4.065,23 3.764,24 5.545,25 3.717,26 4.461,27 4.655,28 3.83,29 3.711,30 5.637,31 3.633,32 4.449,33 4.681,34 3.611,35 3.63,36 5.491,37 3.524,38 4.348,39 4.579,40 3.552,41 3.554,42 5.351,43 3.432,44 4.11,45 4.305,46 3.485,47 3.367,48 5.309,49 3.288,50 3.965,51 4.189,52 3.511,53 3.175,54 5.16,55 3.109,56 0.131,57 0.545,58 4.412,59 2.552,60 12.613,61 2.834,62 0.338,63 0.813,64 10.339,65 4.567,66 22.875,67 5.374,68 0.354,69 0.915,70 17.302,71 5.596,72 26.921,73 6.313,74 0.566,75 0.954,76 19.519,77 6.79,78 42.269,79 8.536,80 0.549,81 0.911,82 19.364,83 6.559,84 44.415,85 8.067,86 0.457,87 0.751,88 24.755,89 7.052,90 38.268,91 8.847,92 0.412,93 0.628,94 17.736,95 4.567,96 36.79,97 5.078,98 0.37,99 0.521,100 14.764,101 4.018,102 29.106,103 4.81,104 26,105 35,106 0.336,107 0.724,108 0.812,109 0.868,110 0.878,111 0.878,112 3.147,113 0.895,114 -4.49,115 -4.42,116 -4.16,119 40,124 1,125 1,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 2,169 2,170 7,172 3,173 3,175 1,178 3,180 1,182 4,187 1,189 5,191 1,192 2,193 1,195 3,196 3,197 1,198 1,200 2,201 3,204 1,205 1,206 2,207 1,209 1,210 1,212 1,215 3,218 1,221 2,229 2,234 5,236 1,237 1,239 2,241 2,243 2,246 3,251 1,254 1,256 1,260 3,265 3,270 3,273 580,274 14.378,275 14.378,276 14.378,277 14.378,278 14.378,279 12.347,280 18.719,281 8.176,282 14.891,283 11.8,284 11.8,285 11.8,286 11.8,287 11.8,288 8.772,289 27.319,290 3.865,291 12.778,292 3.286,293 1.153,294 0.672,295 0.364,296 0.307,297 0.307,298 3.82,299 2,300 1,301 1,302 1,303 435,304 2.828,306 46.407,307 126.907,310 87.013,314 1.298,315 22.249,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48.167,327 204,328 4.641,329 3.358,330 6.786,331 4.174,332 3.198,333 4.609,334 0.916,335 11.135,336 3.123,337 4.257,338 3.275,339 6.137,340 3.83,341 2.909,342 3.896,343 0.172,344 8.949,345 2.675,346 3.781,347 2.936,348 5.762,349 3.405,350 2.523,351 3.174,353 7.603,354 2.2,355 3.639,356 2.44,357 5.293,358 3.197,359 2.278,360 2.972,362 6.622,363 2.019,364 3.405,365 2.147,366 5.063,367 2.923,368 1.98,369 2.786,371 5.791,372 1.864,373 3.056,374 2.066,375 4.78,376 2.675,377 1.719,378 2.232,380 5.048,381 1.626,382 2.821,383 1.923,384 4.109,385 2.307,386 1.414,387 1.949,389 3.553,390 1.205,391 2.486,392 1.414,393 3.987,394 2.142,395 1.206,396 1.483,398 3.195,399 1.1,400 2.257,401 0.865,402 3.588,403 1.796,404 0.819,405 1.161,407 2.071,408 0.797,409 1.356,410 0.679,411 2.849,412 0.913,413 0.111,414 0.132,415 0.25,416 0.07,417 1.152,418 0.188,419 2.668,420 0.753,421 -0.124,422 -0.147,423 -0.319,424 -0.109,425 0.944,426 -0.089,427 2.381,428 0.523,429 -0.4,430 -0.517,431 -1.075,432 -0.365,433 0.726,434 -0.265,435 2.343,436 0.305,437 -0.605,438 -0.709,439 -1.495,440 -0.448,441 0.561,442 -0.378,443 2.091,444 0.219,445 -0.67,446 -0.832,448 -1.698,449 -0.573,450 0.136,451 -0.785,452 2,453 -0.188,454 -1.128,455 -1.328,457 -2.891,458 -0.922,459 10.762,460 0.489,461 0.72,462 0.033,463 30.75,464 1.398,465 15.5,466 0.705,467 15.25,468 0.693,469 16.145,470 0.734,471 23.438,472 0.67,473 21.095,474 0.959,475 6.138,476 0.279,477 4.315,478 0.196,479 0.254,481 0.409,485 0.934,486 1.335,487 0.536,488 0.802,489 1.058,490 0.744,491 0.791,492 0.809,493 0.552,494 0.61,495 0.485,496 0.631,497 0.987,498 1.352,499 0.862,500 1.079,501 0.865,502 1.062,503 0.714,504 1.099,505 0.854,506 1.13,507 0.667,508 1.168,509 0.983,510 0.769,511 0.788,512 0.899,513 1.087,514 1.077,515 1.042,516 0.957,517 1.057,518 1.045,519 0.887,520 1.031,521 1.508,522 0.915,523 1.405,524 1.059,525 1.542,526 1.097,527 1.106,528 1.004,529 0.91,530 0.782,531 1.092,532 0.769,533 5.5,534 0.062,535 3.111,536 2.035,537 1.458,538 0.792,539 0.395,540 0.293,541 0.263,542 0.173,543 4753,544 18038,545 2.017,546 37.1,548 8,549 1,551 4,555 1.644,556 1.833,557 3.181,558 1.959,560 1,562 1,564 64.507,565 1.843,566 3.976,567 4.458,568 4.765,569 4.822,570 4.822,571 2.642,572 4.152,573 4.434,574 3.296,575 761.3,576 7.612,577 8235.72,578 1,579 1,580 1,581 1,582 179.525,583 1.544,584 4.36,585 0.229,586 0.009,587 0.089,588 0.058,589 0.049,590 0.034,591 0.018,592 0.015,593 0.015,594 0.013,595 0.529,596 0.17,597 1,598 0.688,599 100.566,600 -0.184,601 -0.128,602 -0.011,603 0.023,604 -0.282,605 0.05,606 0.077,607 0.315,608 0.111,609 0.267,610 0.216,611 0.232,612 -0.124,613 -0.272,614 -0.003,615 -0.156,616 -0.066,617 -0.177,618 0.203,619 -0.12,620 -0.066,621 -0.195,622 0.168,623 -0.208,624 -0.085,625 0.192,626 -0.055,627 0.025,628 -0.207,629 -0.091,630 -0.103,631 -0.119,632 -0.035,633 0.003,634 -0.022,635 0.062,636 -0.391,637 0.06,638 -0.32,639 -0.087,640 -0.403,641 -0.159,642 -0.039,643 -0.084,644 0.161,645 0.205,646 -0.01,647 0.234,648 1.58,649 1.935,650 0.682,651 15.306,652 1.026,653 1.133,654 3.258,655 10.615,656 0.714,657 3.219,658 3.584,659 3.85,660 4.111,661 4.277,662 4.344,663 4.331,664 4.382,665 4.419,666 4.407,667 5.393,668 0.689,669 338.22,670 3.219,671 4.779,672 5.638,673 6.532,674 7.408,675 8.304,676 9.185,677 10.083,678 10.967,679 11.866,680 14.3,684 2,686 1,690 2,694 2,695 4,696 2,698 1,700 6,702 16,711 2,714 1,717 2,718 35,719 16,720 1,721 24,723 37,724 14,725 12,726 3,727 3,729 3,730 4,731 2,741 12,742 2,753 1,754 1,756 1,757 13,758 6,759 4,760 8,761 2,764 5,769 0.667,770 1,776 1,780 1,781 2,784 1,802 2,806 1,807 2,810 22,811 2,816 1,821 1,828 2,829 2.9,834 1,836 12,837 6.552,838 4.722,839 1.788,840 3.064,841 1.446,842 1.01,843 4.14,844 9.941,845 3.497,846 4.186,847 4.809,848 5.423,849 5.906,850 6.184,851 6.437,852 6.767,853 6.901,854 7.117,855 1,856 35,857 8.023,859 3.4,860 7.889,861 14.932,863 12.016,865 2.389,866 52.556,870 105.94,871 74.821,872 102.49,873 78.297,874 9.507,877 74.821,878 193.745,879 102.49,880 8.396,881 2.106,882 105.963,883 37.978,884 28.148,885 15.998,886 94.169,887 78.297,888 105.94,889 177.311,890 9.507,891 78.297,893 105.94,894 9.507,897 8.412,898 135.328,899 111.868,901 105.94,902 111.997,903 153.119,906 105.94,907 26.257,908 51.689,910 187.17,911 105.94,912 111.997,913 153.119,915 0.599,916 0.353,917 0.185,918 0.097,919 18,920 9,921 0.081,922 3,923 1,924 1.133,925 3.342,926 174.131,927 0.133,928 15,929 98.107,933 15.367,934 5.928,935 3.013,936 1.045,937 111.997,938 7.031,939 7.994,941 5.405,943 3.177,945 65.794,946 371.056,947 32,956 35.902,957 39.665,958 0.359,959 0.775,960 0.869,961 0.929,962 0.94,963 0.94,964 4.745,965 1.206,966 5.659,967 3.553,968 4.263,969 4.871,970 0.918,971 6.5,972 4.117,973 5.996,974 0.819,975 7.246,976 3.195,977 4.007,978 4.856,979 0.325,980 7.448,981 3.743,982 7.332,983 0.111,984 8.928,985 2.071,986 5.894,987 7.18,988 0.671,989 10.548,990 5.645,991 8.704,992 -0.124,993 10.663,994 0.25,995 6.399,996 7.96,997 0.393,998 12.311,999 6.061,1000 10.104,1001 -0.4,1002 12.432,1003 -0.319,1004 7.812,1005 9.799,1006 0.533,1007 14.948,1008 7.484,1009 11.526,1010 -0.605,1011 14.226,1012 -1.075,1013 8.66,1014 10.961,1015 0.384,1016 17.071,1017 8.279,1018 12.965,1019 -0.67,1020 16.037,1021 -1.495,1022 9.896,1023 12.604,1024 0.438,1025 19.547,1026 9.512,1027 3.198,1028 -1.128,1029 17.864,1030 -1.698,1031 10.902,1032 13.954,1033 0.351,1034 21.83,1035 10.487,1036 2.909,1037 11.135,1038 19.703,1039 -2.891,1040 12.071,1041 15.518,1042 0.366,1043 24.252,1044 11.648,1045 2.523,1046 8.949,1047 21.552,1048 4.609,1049 13.149,1050 16.957,1051 0.312,1052 26.604,1053 12.706,1054 2.278,1055 7.603,1056 23.41,1057 3.896,1058 14.297,1059 18.49,1060 0.309,1061 29.01,1062 13.841,1063 1.98,1064 6.622,1065 25.275,1066 3.174,1067 15.409,1068 19.972,1069 0.273,1070 31.392,1071 14.937,1072 1.719,1073 5.791,1074 27.146,1075 2.972,1076 16.551,1077 21.495,1078 0.262,1079 33.795,1080 16.066,1081 1.414,1082 5.048,1083 29.023,1084 2.786,1085 17.681,1086 22.998,1087 0.236,1088 36.191,1089 17.18,1090 4685,1091 9240,1092 15.433,1093 25.006,1094 36.729,1095 37.372,1096 38.506,1097 36.473,1098 36.314,1099 48.786,1100 2.178,1101 108.434,1102 33.358,1103 5.48,1104 5.358,1105 6.085,1106 5.245,1107 5.198,1108 7.609,1109 1.605,1110 18.029,1111 5.123,1112 12.876,1113 1.53,1114 1.557,1115 1.604,1116 1.52,1117 1.513,1118 2.033,1119 0.091,1120 4.518,1121 1.39,1122 4.091,1123 4.114,1124 4.127,1125 3.947,1126 5.363,1127 3.971,1128 3.907,1129 3.929,1130 4.051,1131 3.842,1132 5.042,1133 3.84,1134 3.484,1135 3.557,1136 3.498,1137 3.27,1138 4.984,1139 3.29,1140 3.296,1141 3.367,1142 3.398,1143 3.042,1144 4.945,1145 3.066,1146 3.08,1147 3.197,1148 3.297,1149 2.794,1150 4.492,1151 2.779,1152 2.878,1153 2.936,1154 2.995,1155 2.729,1156 4.362,1157 2.766,1158 2.829,1159 2.921,1160 2.936,1161 2.667,1162 4.138,1163 2.635,1164 2.755,1165 2.789,1166 2.576,1167 2.553,1168 3.949,1169 2.547,1170 0.193,1171 0.14,1172 0.283,1173 0.174,1174 0.133,1175 4.641,1176 0.192,1177 3.358,1178 0.038,1179 6.786,1180 0.464,1181 4.174,1182 0.13,1183 3.198,1184 4.609,1185 0.916,1186 11.135,1187 3.123,1188 1.899,1189 1.876,1190 1.973,1191 2.019,1192 1.159,1193 2.008,1194 1.805,1195 1.777,1196 1.849,1197 1.958,1198 1.003,1199 1.933,1200 1.498,1201 1.456,1202 1.665,1203 1.713,1204 0.714,1205 1.709,1206 1.222,1207 1.156,1208 1.5,1209 1.497,1210 0.518,1211 1.497,1212 0.958,1213 0.884,1214 1.252,1215 1.356,1216 0.18,1217 1.332,1218 0.882,1219 0.824,1220 1.17,1221 1.258,1222 0.155,1223 1.249,1224 0.868,1225 0.768,1226 1.1,1227 1.018,1229 1.061,1230 0.747,1231 0.703,1232 1.005,1233 0.959,1235 0.991,1236 3.892,1238 5.242,1239 2.398,1240 6.777,1241 4.727,1242 8.4,1243 6.843,1244 10.069,1246 1.923,1247 11.978,1250 11.47,1252 0.544,1257 1.988,1262 24.111,1263 64.507,1264 139.16,1265 156.015,1266 166.77,1267 168.77,1268 168.77,1269 32.083,1270 6.877,1271 94.2,1272 94.2,1273 17,1274 12.392,1275 4.087,1276 3.17,1277 34.52,1278 72,1279 66,1280 0.243,1281 157.025,1282 256.71,1283 374.9,1284 8039,1285 5.7,1286 15.853,1287 0.721,1288 0.599,1289 16.853,1290 13.189,1291 10.452,1292 0.436,1293 0.298,1294 6.355,1295 9.455,1296 6.121,1297 5.067,1298 11.03,1299 7.163,1300 9.969,1301 0.285,1302 0.162,1303 10.711,1304 5.677,1305 8.251,1306 0.179,1307 0.088,1308 9.166,1309 4.046,1310 6.858,1311 0.114,1312 0.042,1313 7.244,1314 2.525,1315 5.115,1316 0.072,1317 0.023,1318 5.532,1319 1.628,1320 0.375,1321 72.027,1322 0.255,1323 21.493,1324 0.681,1325 118,1326 377.702,1327 161.157,1328 427.96,1329 566.54,1330 396,1331 140,1332 379.878,1333 179.543,1334 405.146,1335 593.49,1336 378,1337 4.569}
{0 CHEMBL23211,1 1.411,2 10.208,3 3.256,4 10.6,5 99.717,6 7.693,7 0.815,8 3.83,9 3.963,10 3.429,11 3.426,12 4.997,13 3.409,14 4.287,15 4.443,16 3.788,17 3.818,18 5.436,19 3.775,20 4.533,21 4.729,22 3.838,23 3.942,24 5.58,25 3.877,26 4.58,27 4.801,28 3.702,29 3.882,30 5.622,31 3.782,32 4.56,33 4.814,34 3.484,35 3.776,36 5.503,37 3.647,38 4.442,39 4.718,40 3.305,41 3.638,42 5.345,43 3.491,44 4.256,45 4.52,46 3.277,47 3.541,48 5.124,49 3.42,50 4.093,51 4.308,52 3.292,53 3.472,54 5.114,55 3.376,56 0.054,57 0.643,58 7.831,59 3.179,60 10.028,61 4.181,62 0.147,63 1.001,64 13.033,65 5.676,66 17.723,67 7.607,68 0.115,69 1.226,70 18.156,71 7.058,72 17.89,73 9.726,74 0.175,75 1.252,76 19.986,77 7.612,78 28.334,79 10.645,80 0.179,81 1.174,82 20.988,83 7.521,84 30.945,85 10.711,86 0.248,87 1.018,88 19.538,89 7.116,90 32.112,91 10.202,92 0.114,93 0.833,94 15.908,95 6.188,96 17.834,97 8.866,98 0.082,99 0.752,100 12.122,101 5.046,102 15.056,103 7.037,104 5,105 38,106 0.244,107 0.552,108 0.704,109 0.844,110 0.885,111 0.901,112 3.228,113 0.86,114 -5.06,115 -4.96,116 -4.64,119 46.3,125 1,139 10,140 4,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 13,169 1,170 3,172 3,173 3,175 4,178 15,180 1,182 3,187 6,189 11,191 1,193 3,195 1,196 1,197 1,198 9,200 2,201 7,204 4,205 1,207 1,212 4,215 9,218 3,224 2,225 1,226 1,228 1,229 13,231 1,241 13,246 4,250 1,251 2,253 1,254 8,256 2,260 6,265 3,268 2,270 3,273 722,274 16.447,275 16.447,276 16.447,277 16.447,278 16.447,279 13.824,280 16.037,281 9.694,282 16.68,283 13.353,284 13.353,285 13.353,286 13.353,287 13.353,288 9.446,289 23.348,290 4.613,291 13.743,292 3.947,293 2.166,294 1.286,295 0.476,296 0.244,297 0.146,298 3.932,300 1,301 1,302 1,303 544,304 2.449,307 226.72,311 193.163,314 1.458,315 14.815,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50.5,327 245,328 4.542,329 3.141,330 6.508,331 4.053,332 3.081,333 4.491,334 0.657,335 10.202,336 3.011,337 4.492,338 3.072,339 6.5,340 4.017,341 3.028,342 4.429,344 10.168,345 2.983,346 3.777,347 2.647,348 5.339,349 3.391,350 2.423,351 3.237,353 6.929,354 2.347,355 3.509,356 2.231,357 5.172,358 3.079,359 2.117,360 2.906,362 6.198,363 2.042,364 3.427,365 2.134,366 5.062,367 2.966,368 2.023,369 2.811,371 5.8,372 1.896,373 3.358,374 2.025,375 4.966,376 2.897,377 1.941,378 2.686,380 5.732,381 1.848,382 3.118,383 1.618,384 4.167,385 2.618,386 1.618,387 2.427,389 3.801,390 1.618,391 2.77,392 1.29,393 3.71,394 2.275,395 1.277,396 1.904,398 2.853,399 1.274,400 2.458,401 1.154,402 3.601,403 2.015,404 1.041,405 1.441,407 2.565,408 1.011,409 2.41,410 1.057,411 3.419,412 1.974,413 1,414 1.376,415 2.369,416 0.971,417 1.881,418 0.726,419 3.125,420 1.56,421 0.592,422 0.745,423 1.402,424 0.572,425 1.391,426 0.179,427 2.733,428 0.983,429 0.034,430 0.045,431 0.086,432 0.033,433 1.028,434 -0.238,435 2.569,436 0.599,437 -0.366,438 -0.485,439 -0.925,440 -0.351,441 0.951,442 -0.307,443 2.448,444 0.473,445 -0.459,446 -0.59,448 -1.169,449 -0.426,450 0.882,451 -0.618,452 2.301,453 0.382,454 -0.618,455 -0.927,457 -1.478,458 -0.618,459 11.5,460 0.479,461 0.554,462 0.023,463 37,464 1.542,465 21.5,466 0.896,467 15.5,468 0.646,469 14.457,470 0.602,471 23.9,472 0.583,473 25.104,474 1.046,475 7.373,476 0.307,477 4.331,478 0.18,479 0.07,481 0.348,485 1.19,486 1.015,487 0.806,488 0.789,489 1.323,490 0.758,491 0.563,492 0.929,493 0.805,494 0.961,495 0.474,496 0.922,497 1.048,498 1.154,499 0.975,500 1.051,501 0.824,502 1.013,503 0.946,504 1.161,505 1.113,506 1.199,507 0.781,508 1.181,509 1.147,510 1.04,511 1.161,512 1.098,513 1.156,514 1.125,515 0.832,516 0.67,517 1.037,518 0.901,519 0.994,520 0.977,521 0.673,522 0.754,523 0.797,524 0.817,525 0.644,526 0.821,527 0.614,528 1.022,529 0.921,530 1.087,531 0.791,532 1.05,533 4.5,534 0.103,535 2.667,536 1.5,537 1.493,538 0.444,539 0.283,540 0.236,541 0.209,542 0.177,543 6919,544 17347,545 2.161,546 41.5,548 12,551 5,555 1.665,556 2.057,557 3.309,558 2.578,559 1,560 1,564 57.853,565 1.411,566 3.192,567 4.071,568 4.882,569 5.114,570 5.211,571 2.709,572 4.054,573 4.563,574 3.451,575 952.501,576 7.851,577 11218.6,578 1,579 1,581 1,582 219.66,583 1.281,584 4.532,585 0.167,586 0.006,587 0.07,588 0.038,589 0.047,590 0.018,591 0.013,592 0.011,593 0.009,594 0.009,595 0.389,596 0.17,597 1,598 0.49,599 114.344,600 -0.205,601 0.108,602 0.011,603 0.142,604 -0.323,605 0.11,606 0.307,607 0.134,608 0.042,610 0.241,611 -0.009,612 -0.108,613 -0.134,614 -0.065,615 -0.089,616 -0.048,617 -0.075,618 0.023,619 -0.173,620 -0.162,621 -0.234,622 0.097,623 -0.223,624 -0.165,625 -0.09,626 -0.161,627 -0.119,628 -0.166,629 -0.136,630 0.097,631 0.249,632 -0.005,633 0.103,634 -0.058,635 0.049,636 0.044,637 0.13,638 0.211,639 0.224,640 0.068,641 0.236,642 0.124,643 -0.074,644 0.011,645 -0.077,646 0.049,647 -0.052,648 1.471,649 1.956,650 0.833,651 17.924,652 0.995,653 1.122,654 3.828,655 14.654,656 0.697,657 3.332,658 3.664,659 3.951,660 4.234,661 4.477,662 4.466,663 4.543,664 4.635,665 4.779,666 4.754,667 6.008,668 0.665,669 315.41,670 3.332,671 4.875,672 5.733,673 6.616,674 7.487,675 8.372,676 9.247,677 10.131,678 11.008,679 11.891,680 12.2,684 2,685 1,690 2,694 4,695 10,696 2,700 4,702 22,711 2,712 1,718 41,719 22,720 3,721 27,723 44,724 19,725 18,726 6,727 10,729 4,730 6,741 18,742 1,753 1,754 1,757 17,758 5,759 5,760 5,764 5,769 0.5,776 1,781 4,785 2,802 2,810 24,811 2,816 1,817 1,836 11.667,837 7.15,838 5.194,839 2.263,840 4.538,841 1.605,842 1.071,843 3.673,844 12.044,845 3.664,846 4.357,847 5.024,848 5.672,849 6.281,850 6.536,851 6.902,852 7.272,853 7.694,854 7.683,855 0.857,856 39,857 8.793,859 3.752,860 7.639,861 16.871,863 13.984,865 2.139,866 51.333,869 1,870 141.253,871 116.901,872 117.376,877 116.901,878 141.253,879 117.376,881 2.106,882 160.557,883 51.582,884 15.805,885 4.227,886 141.253,888 141.253,889 234.277,893 141.253,897 6.149,898 176.546,899 51.582,901 141.253,902 117.376,903 116.901,906 141.253,907 22.138,908 94.762,909 18.011,910 99.365,911 141.253,912 117.376,913 116.901,915 0.583,916 0.345,917 0.196,918 0.108,919 20,920 8,921 0.068,922 3,923 2,924 1.2,925 3.693,926 199.238,927 0.2,928 20,929 108.039,933 14.729,934 5.984,935 2.873,936 4.001,937 117.376,938 20.514,939 8.229,943 2.816,945 83.805,946 375.53,947 38,956 40.811,957 45.983,958 0.263,959 0.596,960 0.76,961 0.911,962 0.954,963 0.973,964 4.879,965 1.277,966 5.714,967 3.801,968 4.344,969 5.043,970 0.623,971 6.524,972 4.29,973 6.114,974 1.041,975 7.268,976 2.853,977 3.892,978 4.913,980 7.402,981 3.807,982 7.437,983 1,984 8.921,985 2.565,986 5.932,987 7.38,988 0.317,989 10.513,990 5.832,991 8.798,992 0.592,993 10.634,994 2.369,995 6.293,996 8.087,998 12.23,999 6.17,1000 10.191,1001 0.034,1002 12.386,1003 1.402,1004 7.8,1005 10.012,1006 0.149,1007 14.848,1008 7.664,1009 11.607,1010 -0.366,1011 14.165,1012 0.086,1013 8.558,1014 11.132,1016 16.917,1017 8.403,1018 13.042,1019 -0.459,1020 15.964,1021 -0.925,1022 9.837,1023 12.819,1024 0.067,1025 19.357,1026 9.668,1027 3.081,1028 -0.618,1029 17.778,1030 -1.169,1031 10.789,1032 14.142,1034 21.573,1035 10.6,1036 3.028,1037 10.202,1038 19.604,1039 -1.478,1040 11.971,1041 15.723,1042 0.03,1043 23.943,1044 11.767,1045 2.423,1046 10.168,1047 21.439,1048 4.491,1049 13.013,1050 17.14,1052 26.22,1053 12.79,1054 2.117,1055 6.929,1056 23.281,1057 4.429,1058 14.155,1059 18.674,1060 0.013,1061 28.562,1062 13.915,1063 2.023,1064 6.198,1065 25.13,1066 3.237,1067 15.238,1068 20.134,1070 30.864,1071 14.979,1072 1.941,1073 5.8,1074 26.983,1075 2.906,1076 16.364,1077 21.647,1078 0.006,1079 33.194,1080 16.087,1081 1.618,1082 5.732,1083 28.84,1084 2.811,1085 17.465,1086 23.127,1088 35.507,1089 17.169,1090 6448,1091 10326,1092 18.493,1093 28.597,1094 40.522,1095 40.522,1096 41.213,1097 40.366,1098 40.35,1099 56.996,1100 1.315,1101 116.213,1102 39.212,1103 5.37,1104 5.141,1105 6.197,1106 5.125,1107 5.081,1108 7.491,1109 1.315,1110 17.096,1111 5.011,1112 8.834,1113 1.501,1114 1.501,1115 1.526,1116 1.495,1117 1.494,1118 2.111,1119 0.049,1120 4.304,1121 1.452,1122 4.108,1123 4.137,1124 4.067,1125 4.052,1126 5.308,1127 4.05,1128 4.039,1129 4.067,1130 4.004,1131 3.966,1132 4.982,1133 3.972,1134 3.566,1135 3.633,1136 3.489,1137 3.415,1138 4.911,1139 3.42,1140 3.451,1141 3.501,1142 3.356,1143 3.329,1144 4.691,1145 3.337,1146 3.208,1147 3.287,1148 3.092,1149 3.036,1150 4.37,1151 3.041,1152 3.129,1153 3.236,1154 3.018,1155 2.915,1156 4.203,1157 2.924,1158 2.964,1159 3.027,1160 2.835,1161 2.798,1162 3.997,1163 2.806,1164 2.705,1165 2.809,1166 2.543,1167 2.575,1168 3.805,1169 2.56,1170 0.168,1171 0.116,1172 0.241,1173 0.15,1174 0.114,1175 4.542,1176 0.166,1177 3.141,1178 0.024,1179 6.508,1180 0.378,1181 4.053,1182 0.112,1183 3.081,1184 4.491,1185 0.657,1186 10.202,1187 3.011,1188 2.075,1189 2.055,1190 2.158,1191 2.149,1192 1.297,1193 2.151,1194 2.012,1195 1.986,1196 2.08,1197 2.108,1198 1.218,1199 2.102,1200 1.522,1201 1.471,1202 1.69,1203 1.724,1204 0.781,1205 1.715,1206 1.438,1207 1.385,1208 1.603,1209 1.588,1210 0.67,1211 1.604,1212 1.171,1213 1.105,1214 1.396,1215 1.408,1216 0.368,1217 1.415,1218 1.051,1219 0.981,1220 1.293,1221 1.386,1222 0.317,1223 1.371,1224 0.964,1225 0.886,1226 1.223,1227 1.138,1228 0.112,1229 1.17,1230 0.695,1231 0.639,1232 1.044,1233 0.97,1234 0.061,1235 1.004,1236 4.007,1238 5.333,1240 6.868,1242 8.502,1244 10.187,1250 11.592,1252 0.688,1253 3.493,1262 27.268,1263 57.853,1264 130.857,1265 166.931,1266 200.15,1267 209.66,1268 213.66,1269 27.083,1270 7.506,1271 89.85,1272 89.85,1273 24,1274 12.426,1275 4.524,1276 3.585,1277 34.017,1278 89,1279 76,1280 0.19,1281 168.149,1282 272.82,1283 402.043,1284 19727,1286 16.518,1287 0.688,1288 0.543,1289 16.518,1290 13.03,1291 11.704,1292 0.433,1293 0.287,1294 7.669,1295 11.436,1296 7.503,1297 6.235,1298 11.704,1299 7.738,1300 10.634,1301 0.28,1302 0.15,1303 10.634,1304 5.699,1305 9.036,1306 0.177,1307 0.08,1308 9.036,1309 4.08,1310 7.913,1311 0.116,1312 0.043,1313 7.913,1314 2.905,1315 6.551,1316 0.075,1317 0.023,1318 6.551,1319 2.027,1320 0.299,1321 72.069,1322 0.233,1323 23.45,1324 0.516,1325 130,1326 318.248,1327 138.104,1328 325.885,1329 463.1,1330 306,1331 154,1332 359.014,1333 161.66,1334 370.195,1335 541.12,1336 350,1337 7.26}
{0 CHEMBL23220,1 1.404,2 10.115,3 3.745,4 14.027,5 106.379,6 6.97,7 0.586,8 4.007,9 4.152,10 3.524,11 3.539,12 5.068,13 3.509,14 4.546,15 4.75,16 3.902,17 3.96,18 5.543,19 3.901,20 4.78,21 4.988,22 4.013,23 4.149,24 5.703,25 4.068,26 4.924,27 5.159,28 3.99,29 4.183,30 5.891,31 4.068,32 4.993,33 5.265,34 3.786,35 4.141,36 5.857,37 3.997,38 4.914,39 5.204,40 3.598,41 4.038,42 5.692,43 3.856,44 4.783,45 5.088,46 3.566,47 3.902,48 5.541,49 3.741,50 4.599,51 4.868,52 3.514,53 3.784,54 5.496,55 3.657,56 0.06,57 0.799,58 11.204,59 4.165,60 11.21,61 6.135,62 0.252,63 1.267,64 20.404,65 7.579,66 25.331,67 11.036,68 0.145,69 1.554,70 25.741,71 9.444,72 18.518,73 14.12,74 0.327,75 1.705,76 30.602,77 11.005,78 41.681,79 16.395,80 0.359,81 1.693,82 34.066,83 10.456,84 44.41,85 16.462,86 0.329,87 1.481,88 31.67,89 11.218,90 37.26,91 16.923,92 0.201,93 1.281,94 27.974,95 9.854,96 29.119,97 15.093,98 0.23,99 1.154,100 22.779,101 7.395,102 30.801,103 11.447,104 17,105 42,106 0.236,107 0.601,108 0.801,109 0.837,110 0.857,111 0.871,112 3.305,113 0.935,114 -5.08,115 -4.98,116 -4.67,119 40,120 1,121 4,124 1,125 1,139 3,140 5,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 12,169 2,170 7,172 3,173 3,175 1,178 14,180 1,182 7,187 1,189 9,191 1,192 2,193 10,195 3,196 3,197 1,198 3,200 2,201 7,204 3,205 1,207 1,212 1,215 7,218 1,220 2,221 2,223 1,224 1,226 2,229 10,231 2,234 3,241 10,246 7,248 1,249 1,251 2,254 7,256 2,260 7,265 3,268 2,270 3,273 892,274 17.499,275 17.499,276 17.499,277 17.499,278 17.499,279 15.363,280 21.286,281 10.121,282 17.831,283 14.294,284 14.294,285 14.294,286 14.294,287 14.294,288 11.032,289 25.388,290 4.764,291 14.841,292 4.24,293 2.07,294 0.885,295 0.67,296 0.55,297 0.47,298 4.001,300 1,301 1,302 1,303 578,304 2.915,307 248.826,311 212.173,314 1.432,315 17.246,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 55,327 263,328 4.656,329 3.382,330 6.838,331 4.195,332 3.222,333 4.616,334 0.916,335 11.248,336 3.139,337 4.423,338 3.27,339 6.662,340 4.079,341 3.1,342 4.057,343 0.172,344 10.695,345 3.041,346 3.921,347 2.839,348 5.859,349 3.548,350 2.59,351 3.416,353 8.088,354 2.479,355 3.571,356 2.559,357 5.599,358 3.283,359 2.331,360 2.863,362 7.163,363 2.218,364 3.45,365 2.177,366 5.097,367 2.97,368 2.034,369 2.818,371 5.908,372 1.9,373 3.358,374 2.047,375 5.01,376 2.895,377 1.967,378 2.662,380 5.793,381 1.818,382 2.948,383 1.861,384 4.52,385 2.618,386 1.618,387 2.116,389 4.253,390 1.618,391 2.728,392 1.676,393 4.216,394 2.459,395 1.494,396 1.794,398 3.627,399 1.438,400 2.59,401 1.496,402 3.928,403 2.275,404 1.306,405 1.607,407 3.271,408 1.268,409 2.434,410 1.27,411 3.578,412 2.223,413 1.243,414 1.429,415 2.772,416 1.211,417 1.894,418 0.896,419 3.277,420 1.709,421 0.724,422 0.823,423 1.741,424 0.712,425 1.576,426 0.559,427 3,428 1.237,429 0.291,430 0.355,431 0.709,432 0.275,433 1.197,434 0.112,435 2.822,436 0.838,437 -0.11,438 -0.136,439 -0.288,440 -0.104,441 0.983,442 -0.223,443 2.654,444 0.574,445 -0.377,446 -0.48,448 -1.014,449 -0.352,450 0.84,451 -0.283,452 2.433,453 0.481,454 -0.468,455 -0.568,457 -1.156,458 -0.449,459 12.4,460 0.477,461 0.716,462 0.028,463 34.75,464 1.337,465 17.5,466 0.673,467 17.25,468 0.663,469 22.542,470 0.867,471 27.8,472 0.556,473 24.233,474 0.932,475 6.462,476 0.249,477 6.079,478 0.234,479 0.145,481 0.395,485 1.08,486 1.321,487 0.876,488 1.043,489 1.196,490 0.953,491 0.683,492 0.868,493 0.781,494 0.865,495 0.397,496 0.84,497 0.887,498 1.26,499 0.938,500 1.131,501 0.728,502 1.056,503 0.694,504 1.161,505 1.039,506 1.232,507 0.553,508 1.186,509 1.386,510 0.979,511 1.224,512 1.031,513 1.211,514 1.095,515 0.739,516 0.842,517 1.031,518 1.035,519 0.822,520 1.063,521 0.61,522 0.877,523 0.746,524 0.867,525 0.619,526 0.83,527 1.087,528 0.96,529 1.034,530 0.975,531 1.175,532 0.994,533 5,534 0.103,535 3.333,536 2.563,537 2.004,538 0.736,539 0.567,540 0.337,541 0.295,542 0.192,543 7853,544 17413,545 2.101,546 48,547 11,548 8,550 1,551 4,555 1.691,556 1.95,557 3.294,558 1.697,560 1,564 70.205,565 1.404,566 3.574,567 4.759,568 4.974,569 5.094,570 5.174,571 2.705,572 4.316,573 4.677,574 3.427,575 1113.68,576 8.104,577 13517.4,579 1,581 1,582 282.193,583 1.46,584 4.624,585 0.172,586 0.006,587 0.079,588 0.056,589 0.048,590 0.022,591 0.021,592 0.012,593 0.011,594 0.009,595 0.437,596 0.17,597 1,598 0.596,599 125.795,600 -0.1,601 -0.083,602 0.045,603 0.028,604 -0.16,605 0.05,606 0.289,607 0.255,608 0.168,609 0.171,610 0.337,611 0.157,612 -0.03,613 -0.176,615 -0.084,617 -0.046,618 0.235,619 -0.124,620 -0.083,621 -0.221,622 0.263,623 -0.195,624 -0.282,625 0.015,626 -0.234,627 -0.081,628 -0.222,629 -0.14,630 0.066,631 0.064,632 -0.058,633 -0.037,634 -0.031,635 -0.059,636 0.111,637 -0.017,638 0.231,639 0.14,640 0.134,641 0.19,642 -0.079,643 0.022,644 -0.052,645 -0.002,646 -0.122,647 -0.02,648 1.511,649 2.075,650 0.769,651 19.408,652 0.991,653 1.135,654 3.853,655 14.847,656 0.658,657 3.401,658 3.761,659 4.078,660 4.382,661 4.605,662 4.635,663 4.727,664 4.82,665 4.934,666 4.905,667 5.905,668 0.617,669 348.5,670 3.401,671 4.963,672 5.838,673 6.739,674 7.627,675 8.531,676 9.423,677 10.327,678 11.221,679 12.124,680 12,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,718 50,719 17,720 1,721 29,723 53,724 20,725 13,726 3,727 3,729 4,730 6,734 1,736 4,739 4,741 13,742 7,754 1,757 24,758 6,759 4,760 6,764 6,769 0.5,775 1,776 1,781 4,785 2,802 2,806 2,810 26,811 2,816 5,821 1,836 13.333,837 9.55,838 5.611,839 3.056,840 3.474,841 1.456,842 1.024,843 4.412,844 11.095,845 3.651,846 4.317,847 4.959,848 5.582,849 6.141,850 6.416,851 6.748,852 7.099,853 7.477,854 7.576,855 0.857,856 46,857 9.586,859 4.071,860 7.558,861 18.736,863 15.732,865 2.058,866 53.5,868 1,869 1,870 235.422,871 90.956,872 119.275,877 90.956,878 235.422,879 119.275,880 17.222,881 12.244,882 94.223,883 62.128,884 31.959,885 4.227,886 223.651,888 235.422,889 210.231,893 237.137,897 32.016,898 126.144,899 50.357,901 235.422,902 119.275,903 90.956,906 235.422,907 36.258,908 57.822,910 116.151,911 235.422,912 119.275,913 90.956,915 0.591,916 0.36,917 0.207,918 0.109,919 22,920 10,921 0.057,922 3,923 2,924 1.2,925 3.71,926 229.379,927 0.2,928 20,929 122.211,933 17.046,934 6.73,935 3.112,936 1.344,937 119.275,938 8.509,939 12.745,943 7.007,945 65.794,946 445.653,947 37.5,956 49.563,957 56.727,958 0.249,959 0.633,960 0.843,961 0.881,962 0.903,963 0.917,964 4.907,965 1.494,966 5.844,967 4.253,968 4.443,969 5.004,970 0.918,971 6.703,972 4.372,973 6.139,974 1.306,975 7.434,976 3.627,977 4.111,978 4.956,979 0.325,980 7.695,981 4.005,982 7.471,983 1.243,984 9.127,985 3.271,986 6.08,987 7.298,988 0.671,989 10.838,990 5.951,991 8.842,992 0.724,993 10.879,994 2.772,995 6.553,996 8.067,997 0.393,998 12.656,999 6.4,1000 10.245,1001 0.291,1002 12.669,1003 1.741,1004 8.017,1005 9.914,1006 0.533,1007 15.325,1008 7.843,1009 11.673,1010 -0.11,1011 14.486,1012 0.709,1013 8.864,1014 11.07,1015 0.384,1016 17.484,1017 8.672,1018 13.119,1019 -0.377,1020 16.322,1021 -0.288,1022 10.131,1023 12.717,1024 0.438,1025 19.985,1026 9.918,1027 3.222,1028 -0.468,1029 18.173,1030 -1.014,1031 11.149,1032 14.06,1033 0.351,1034 22.286,1035 10.917,1036 3.1,1037 11.248,1038 20.035,1039 -1.156,1040 12.34,1041 15.625,1042 0.366,1043 24.725,1044 12.087,1045 2.59,1046 10.695,1047 21.907,1048 4.616,1049 13.433,1050 17.058,1051 0.312,1052 27.085,1053 13.16,1054 2.331,1055 8.088,1056 23.785,1057 4.057,1058 14.598,1059 18.59,1060 0.309,1061 29.502,1062 14.303,1063 2.034,1064 7.163,1065 25.67,1066 3.416,1067 15.724,1068 20.067,1069 0.273,1070 31.886,1071 15.408,1072 1.967,1073 5.908,1074 27.56,1075 2.863,1076 16.88,1077 21.588,1078 0.262,1079 34.295,1080 16.541,1081 1.618,1082 5.793,1083 29.453,1084 2.818,1085 18.022,1086 23.086,1087 0.236,1088 36.691,1089 17.661,1090 7417,1091 11220,1092 19.304,1093 32.887,1094 44.066,1095 44.16,1096 45.655,1097 43.895,1098 43.839,1099 57.112,1100 2.178,1101 130.536,1102 42.237,1103 5.602,1104 5.382,1105 6.527,1106 5.27,1107 5.222,1108 7.616,1109 1.605,1110 18.566,1111 5.139,1112 12.622,1113 1.52,1114 1.523,1115 1.574,1116 1.514,1117 1.512,1118 1.969,1119 0.075,1120 4.501,1121 1.456,1122 4.086,1123 4.126,1124 4.056,1125 3.988,1126 5.321,1127 3.996,1128 3.993,1129 4.028,1130 3.936,1131 3.914,1132 4.981,1133 3.918,1134 3.61,1135 3.681,1136 3.515,1137 3.443,1138 4.813,1139 3.445,1140 3.494,1141 3.558,1142 3.367,1143 3.351,1144 4.723,1145 3.354,1146 3.322,1147 3.409,1148 3.177,1149 3.117,1150 4.231,1151 3.121,1152 3.164,1153 3.262,1154 3.049,1155 2.948,1156 4.091,1157 2.947,1158 3.075,1159 3.163,1160 2.87,1161 2.892,1162 4.044,1163 2.88,1164 3.023,1165 3.153,1166 2.81,1167 2.706,1168 3.992,1169 2.723,1170 0.161,1171 0.117,1172 0.236,1173 0.145,1174 0.111,1175 4.656,1176 0.159,1177 3.382,1178 0.032,1179 6.838,1180 0.388,1181 4.195,1182 0.108,1183 3.222,1184 4.616,1185 0.916,1186 11.248,1187 3.139,1188 2.019,1189 1.989,1190 2.137,1191 2.139,1192 1.442,1193 2.129,1194 1.976,1195 1.946,1196 2.051,1197 2.081,1198 1.232,1199 2.085,1200 1.582,1201 1.519,1202 1.8,1203 1.787,1204 0.986,1205 1.793,1206 1.474,1207 1.415,1208 1.669,1209 1.659,1210 0.807,1211 1.671,1212 1.296,1213 1.212,1214 1.58,1215 1.544,1216 0.743,1217 1.568,1218 1.134,1219 1.05,1220 1.458,1221 1.401,1222 0.563,1223 1.411,1224 1.098,1225 1.006,1226 1.446,1227 1.337,1228 0.534,1229 1.374,1230 0.946,1231 0.827,1232 1.263,1233 1.323,1234 0.325,1235 1.341,1236 4.078,1238 5.425,1240 6.984,1242 8.644,1244 10.355,1246 4.181,1250 11.759,1252 5.656,1257 2.3,1262 30.87,1263 70.205,1264 178.683,1265 237.928,1266 248.683,1267 254.683,1268 258.683,1269 34.174,1270 7.621,1271 93.95,1272 93.95,1273 24,1274 12.645,1275 4.17,1276 3.248,1277 38.037,1278 94,1279 86,1280 0.202,1281 190.39,1282 317.3,1283 456.312,1284 21938,1286 18.259,1287 0.702,1288 0.588,1289 18.259,1290 15.288,1291 12.542,1292 0.432,1293 0.312,1294 8.936,1295 12.173,1296 8.642,1297 7.202,1298 12.542,1299 9.034,1300 11.604,1301 0.276,1302 0.168,1303 11.604,1304 7.052,1305 9.975,1306 0.172,1307 0.092,1308 9.975,1309 5.325,1310 8.969,1311 0.114,1312 0.05,1313 8.969,1314 3.952,1315 7.072,1316 0.071,1317 0.028,1318 7.072,1319 2.791,1320 0.313,1321 77.758,1322 0.228,1323 24.778,1324 0.567,1325 142,1326 337.205,1327 152.241,1328 340.618,1329 483.99,1330 320,1331 171,1332 376.254,1333 181.491,1334 387.555,1335 569.67,1336 364,1337 6.854}
{0 CHEMBL23227,1 1.574,2 10.045,3 3.498,4 12.235,5 93.113,6 8.258,7 0.708,8 3.746,9 3.883,10 3.391,11 3.318,12 4.923,13 3.298,14 4.208,15 4.378,16 3.777,17 3.702,18 5.378,19 3.655,20 4.427,21 4.611,22 3.817,23 3.825,24 5.53,25 3.754,26 4.506,27 4.736,28 3.665,29 3.768,30 5.564,31 3.654,32 4.481,33 4.741,34 3.428,35 3.651,36 5.441,37 3.504,38 4.327,39 4.61,40 3.281,41 3.503,42 5.253,43 3.357,44 4.113,45 4.352,46 3.214,47 3.414,48 5.055,49 3.281,50 4.012,51 4.254,52 3.273,53 3.309,54 5.03,55 3.195,56 0.056,57 0.596,58 6.886,59 2.889,60 10.469,61 3.818,62 0.151,63 0.903,64 12.528,65 5.286,66 19.092,67 7.108,68 0.142,69 1.066,70 18.04,71 6.306,72 20.903,73 8.481,74 0.226,75 1.09,76 20.367,77 7.003,78 31.777,79 9.708,80 0.268,81 0.98,82 23.837,83 7.229,84 37.756,85 10.2,86 0.277,87 0.84,88 19.705,89 6.38,90 33.861,91 9.084,92 0.135,93 0.691,94 15.7,95 5.33,96 19.472,97 7.358,98 0.103,99 0.635,100 12.88,101 4.743,102 17.302,103 6.631,104 17,105 34,106 0.281,107 0.654,108 0.795,109 0.887,110 0.887,111 0.887,112 3.146,113 0.903,114 -5.01,115 -4.91,116 -4.6,119 42.1,120 1,125 1,139 6,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 7,169 1,170 3,172 3,173 3,175 4,178 9,180 1,182 3,187 6,189 7,191 1,193 3,195 1,196 1,197 1,198 6,200 2,201 4,204 4,205 1,207 1,212 4,215 7,218 3,224 2,225 1,226 1,228 1,229 10,231 1,241 7,246 4,250 1,251 2,253 1,254 2,256 2,260 6,265 3,268 2,270 3,273 604,274 14.533,275 14.533,276 14.533,277 14.533,278 14.533,279 12.367,280 18.232,281 8.428,282 14.902,283 11.832,284 11.832,285 11.832,286 11.832,287 11.832,288 8.612,289 24.17,290 4.026,291 12.491,292 3.674,293 1.585,294 0.796,295 0.283,296 0.283,297 0.283,298 3.825,299 1,300 1,301 1,302 1,303 473,304 2.449,307 182.02,311 94.616,314 1.413,315 16.862,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 46.833,327 221,328 4.541,329 3.144,330 6.502,331 4.049,332 3.079,333 4.491,334 0.657,335 10.175,336 2.991,337 4.23,338 3.093,339 6.06,340 3.825,341 2.856,342 3.88,344 8.71,345 2.764,346 3.77,347 2.732,348 5.311,349 3.375,350 2.41,351 3.233,353 6.879,354 2.328,355 3.47,356 2.555,357 5.062,358 3.01,359 2.124,360 2.811,362 5.848,363 1.901,364 3.427,365 2.184,366 4.98,367 2.96,368 2.032,369 2.787,371 5.796,372 1.864,373 3.36,374 2.045,375 4.945,376 2.899,377 1.954,378 2.681,380 5.711,381 1.749,382 2.848,383 1.699,384 4.172,385 2.458,386 1.473,387 1.979,389 3.769,390 1.449,391 2.454,392 1.068,393 3.71,394 1.984,395 1.009,396 1.435,398 2.565,399 0.981,400 2.019,401 1.04,402 3.304,403 1.745,404 0.808,405 0.948,407 1.89,408 0.743,409 1.476,410 0.504,411 2.779,412 1.101,413 0.162,414 0.203,415 0.394,416 0.146,417 1.134,418 0.117,419 2.611,420 0.763,421 -0.167,422 -0.208,423 -0.4,424 -0.143,425 0.961,426 -0.038,427 2.479,428 0.479,429 -0.448,430 -0.577,431 -1.155,432 -0.389,433 0.796,434 -0.297,435 2.359,436 0.387,437 -0.515,438 -0.621,439 -1.242,440 -0.416,441 0.59,442 -0.512,443 2.206,444 0.161,445 -0.785,446 -0.955,448 -1.995,449 -0.719,450 0.44,451 -0.73,452 1.903,453 0.132,454 -0.816,455 -1.113,457 -2.395,458 -0.791,459 10.714,460 0.487,461 0.647,462 0.029,463 31.75,464 1.443,465 17.5,466 0.795,467 14.25,468 0.648,469 14.969,470 0.68,471 22.886,472 0.602,473 21.106,474 0.959,475 6.28,476 0.285,477 4.245,478 0.193,479 0.188,481 0.373,485 1.01,486 1.125,487 0.647,488 0.778,489 1.191,490 0.771,491 0.557,492 0.942,493 0.614,494 0.843,495 0.413,496 0.829,497 1.111,498 1.287,499 1.029,500 1.134,501 0.918,502 1.099,503 0.957,504 1.128,505 0.952,506 1.12,507 0.808,508 1.16,509 0.962,510 1.021,511 1.077,512 1.132,513 1.084,514 1.128,515 0.732,516 0.595,517 0.782,518 0.771,519 0.891,520 0.858,521 0.875,522 0.929,523 1.03,524 1.05,525 0.883,526 1.049,527 0.619,528 1.027,529 0.704,530 0.944,531 0.684,532 0.936,533 5.5,534 0.153,535 2.667,536 1.5,537 1.551,538 0.521,539 0.262,540 0.326,541 0.258,542 0.117,543 5128,544 15614,545 2.043,546 42.1,547 3,548 8,551 5,555 1.64,556 1.886,557 3.276,558 2.734,560 1,562 1,564 59.812,565 1.574,566 3.663,567 4.451,568 4.965,569 4.965,570 4.965,571 2.686,572 4.278,573 4.434,574 3.409,575 787.448,576 7.591,577 8721.86,578 1,579 1,580 1,581 1,582 199.421,583 1.495,584 4.376,585 0.229,586 0.015,587 0.078,588 0.044,589 0.057,590 0.025,591 0.014,592 0.018,593 0.014,594 0.007,595 0.503,596 0.17,597 1,598 0.65,599 101.887,600 -0.192,601 0.065,602 -0.011,603 0.122,604 -0.311,605 0.096,606 0.234,607 0.158,608 0.116,609 0.099,610 0.283,611 0.096,612 -0.181,613 -0.225,614 -0.154,615 -0.187,616 -0.117,617 -0.175,618 -0.057,619 -0.127,620 -0.119,621 -0.181,622 0.033,623 -0.211,624 -0.056,625 -0.107,626 -0.117,627 -0.149,628 -0.112,629 -0.123,630 0.096,631 0.31,632 0.078,633 0.206,634 -0.011,635 0.163,636 -0.082,637 -0.011,638 -0.078,639 -0.032,640 -0.129,641 -0.025,642 0.149,643 -0.1,644 0.173,645 0.054,646 0.162,647 0.082,648 1.479,649 1.908,650 0.727,651 16.86,652 1.004,653 1.13,654 3.776,655 14.256,656 0.696,657 3.219,658 3.555,659 3.784,660 4.025,661 4.248,662 4.234,663 4.22,664 4.331,665 4.454,666 4.419,667 5.789,668 0.66,669 313.82,670 3.219,671 4.762,672 5.602,673 6.479,674 7.334,675 8.21,676 9.071,677 9.948,678 10.812,679 11.689,680 13.2,684 2,685 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,712 1,717 1,718 38,719 17,720 2,721 24,723 40,724 16,725 14,726 6,727 6,729 3,730 4,731 1,734 1,741 14,742 2,753 1,754 1,757 16,758 5,759 5,760 6,761 1,764 5,769 0.667,776 1,781 3,785 1,802 2,806 1,807 1,810 22,811 2,816 1,817 1,828 1,836 11.667,837 6.96,838 4.75,839 2.041,840 3.349,841 1.484,842 1.024,843 4.05,844 10.263,845 3.512,846 4.19,847 4.785,848 5.383,849 5.971,850 6.184,851 6.45,852 6.824,853 7.24,854 7.279,855 0.857,856 34,857 8.04,859 3.367,860 7.747,861 15.243,863 12.314,865 2.247,866 49.444,870 129.482,871 89.361,872 117.376,873 39.149,877 89.361,878 168.631,879 117.376,880 8.825,881 2.106,882 122.652,883 51.582,884 17.346,885 4.227,886 129.482,887 39.149,888 129.482,889 206.737,891 39.149,893 129.482,897 14.974,898 140.181,899 90.73,901 129.482,902 117.376,903 128.51,906 129.482,907 23.678,908 65.683,909 18.011,910 138.514,911 129.482,912 117.376,913 128.51,915 0.591,916 0.338,917 0.179,918 0.098,919 17,920 8,921 0.075,922 3,923 1,924 1.125,925 3.435,926 169.185,927 0.125,928 16,929 98.107,933 14.88,934 5.988,935 3.261,936 1.553,937 117.376,938 11.631,939 8.166,943 4.549,945 83.805,946 375.368,947 32.5,956 38.134,957 42.927,958 0.3,959 0.698,960 0.848,961 0.946,962 0.946,963 0.946,964 4.738,965 1.009,966 5.602,967 3.769,968 4.234,969 4.875,970 0.623,971 6.395,972 4.136,973 5.98,974 0.808,975 7.155,976 2.565,977 3.892,978 4.808,980 7.235,981 3.724,982 7.304,983 0.162,984 8.801,985 1.89,986 5.82,987 7.168,988 0.317,989 10.301,990 5.652,991 8.661,992 -0.167,993 10.499,994 0.394,995 6.217,996 7.861,998 11.926,999 6,1000 10.044,1001 -0.448,1002 12.23,1003 -0.4,1004 7.662,1005 9.736,1006 0.149,1007 14.525,1008 7.441,1009 11.446,1010 -0.515,1011 13.984,1012 -1.155,1013 8.417,1014 10.813,1016 16.513,1017 8.161,1018 12.865,1019 -0.785,1020 15.756,1021 -1.242,1022 9.662,1023 12.476,1024 0.067,1025 18.934,1026 9.393,1027 3.079,1028 -0.816,1029 17.543,1030 -1.995,1031 10.596,1032 13.757,1034 21.093,1035 10.296,1036 2.856,1037 10.175,1038 19.342,1039 -2.395,1040 11.755,1041 15.321,1042 0.03,1043 23.444,1044 11.437,1045 2.41,1046 8.71,1047 21.15,1048 4.491,1049 12.778,1050 16.707,1052 25.683,1053 12.43,1054 2.124,1055 6.879,1056 22.967,1057 3.88,1058 13.903,1059 18.229,1060 0.013,1061 28.006,1062 13.533,1063 2.032,1064 5.848,1065 24.791,1066 3.233,1067 14.969,1068 19.668,1070 30.282,1071 14.569,1072 1.954,1073 5.796,1074 26.622,1075 2.811,1076 16.081,1077 21.171,1078 0.006,1079 32.596,1080 15.656,1081 1.473,1082 5.711,1083 28.457,1084 2.787,1085 17.169,1086 22.638,1088 34.891,1089 16.714,1090 4997,1091 8816,1092 15.72,1093 26.455,1094 36.109,1095 36.361,1096 37.093,1097 35.978,1098 35.814,1099 48.891,1100 1.315,1101 103.474,1102 33.832,1103 5.369,1104 5.144,1105 5.881,1106 5.121,1107 5.079,1108 7.491,1109 1.315,1110 17.069,1111 4.991,1112 11.787,1113 1.505,1114 1.515,1115 1.546,1116 1.499,1117 1.492,1118 2.037,1119 0.055,1120 4.311,1121 1.41,1122 4.075,1123 4.11,1124 4.053,1125 3.988,1126 5.308,1127 3.996,1128 3.922,1129 3.951,1130 3.99,1131 3.863,1132 4.982,1133 3.858,1134 3.535,1135 3.602,1136 3.513,1137 3.352,1138 4.94,1139 3.374,1140 3.204,1141 3.28,1142 3.367,1143 3.054,1144 4.695,1145 3.038,1146 3.166,1147 3.254,1148 3.032,1149 2.984,1150 4.415,1151 2.98,1152 3.126,1153 3.235,1154 2.981,1155 2.877,1156 4.168,1157 2.896,1158 2.844,1159 2.904,1160 2.867,1161 2.714,1162 3.903,1163 2.705,1164 2.69,1165 2.798,1166 2.514,1167 2.41,1168 3.834,1169 2.414,1170 0.189,1171 0.131,1172 0.271,1173 0.169,1174 0.128,1175 4.541,1176 0.187,1177 3.144,1178 0.027,1179 6.502,1180 0.424,1181 4.049,1182 0.125,1183 3.079,1184 4.491,1185 0.657,1186 10.175,1187 2.991,1188 2.022,1189 1.995,1190 2.093,1191 2.131,1192 1.239,1193 2.12,1194 1.904,1195 1.88,1196 1.997,1197 1.992,1198 1.129,1199 2.001,1200 1.469,1201 1.408,1202 1.622,1203 1.69,1204 0.747,1205 1.68,1206 1.204,1207 1.131,1208 1.529,1209 1.415,1210 0.593,1211 1.46,1212 1.143,1213 1.067,1214 1.38,1215 1.394,1216 0.347,1217 1.404,1218 1.037,1219 0.951,1220 1.291,1221 1.386,1222 0.157,1223 1.371,1224 0.82,1225 0.765,1226 1.064,1227 1.009,1228 0.098,1229 1.036,1230 0.668,1231 0.551,1232 1.035,1233 0.963,1235 0.992,1236 3.892,1238 5.22,1240 6.742,1242 8.356,1244 10.019,1246 2.017,1247 5.964,1250 11.509,1252 0.669,1253 3.387,1262 25.095,1263 59.812,1264 139.182,1265 169.157,1266 188.666,1267 188.666,1268 188.666,1269 28.626,1270 6.914,1271 89.85,1272 89.85,1273 18,1274 12.23,1275 4.17,1276 3.248,1277 34.678,1278 77,1279 72,1280 0.223,1281 160.953,1282 264.67,1283 384.485,1284 8818,1285 2.6,1286 15.69,1287 0.713,1288 0.584,1289 16.19,1290 12.854,1291 10.525,1292 0.439,1293 0.301,1294 6.804,1295 9.948,1296 6.566,1297 5.472,1298 10.814,1299 7.222,1300 9.89,1301 0.291,1302 0.164,1303 10.298,1304 5.568,1305 7.922,1306 0.184,1307 0.086,1308 8.184,1309 3.713,1310 6.64,1311 0.121,1312 0.047,1313 6.909,1314 2.577,1315 5.214,1316 0.076,1317 0.024,1318 5.417,1319 1.66,1320 0.352,1321 68.173,1322 0.252,1323 21.805,1324 0.605,1325 116,1326 310.451,1327 139.623,1328 344.406,1329 468.12,1330 320,1331 135,1332 331.877,1333 152.419,1334 351.397,1335 509.6,1336 330,1337 7.638}
{0 CHEMBL23244,1 1.737,2 10.84,3 2.579,4 6.65,5 100.301,6 8.125,7 0.63,8 3.897,9 4.014,10 3.574,11 3.427,12 5.089,13 3.403,14 4.374,15 4.541,16 3.924,17 3.789,18 5.519,19 3.74,20 4.465,21 4.595,22 4.057,23 3.943,24 5.609,25 3.884,26 4.634,27 4.802,28 4.052,29 3.986,30 5.784,31 3.882,32 4.76,33 5.009,34 3.783,35 3.926,36 5.718,37 3.771,38 4.544,39 4.791,40 3.646,41 3.767,42 5.45,43 3.595,44 4.396,45 4.643,46 3.426,47 3.615,48 5.286,49 3.464,50 4.279,51 4.518,52 3.46,53 3.455,54 5.286,55 3.377,56 0.077,57 0.685,58 8.803,59 3.883,60 11.76,61 4.635,62 0.351,63 1.028,64 19.235,65 7.08,66 29.747,67 8.108,68 0.275,69 1.19,70 18.856,71 7.451,72 17.565,73 8.61,74 0.323,75 1.344,76 24.332,77 9.166,78 34.255,79 11.004,80 0.543,81 1.35,82 32.563,83 9.639,84 52.439,85 12.127,86 0.313,87 1.114,88 27.196,89 8.495,90 32.036,91 11.22,92 0.254,93 0.926,94 24.134,95 7.89,96 26.509,97 9.914,98 0.237,99 0.812,100 17.021,101 5.714,102 24.309,103 8.019,104 30,105 38,106 0.301,107 0.657,108 0.785,109 0.827,110 0.835,111 0.843,112 3.267,113 0.949,114 -3.89,115 -3.85,116 -3.65,119 38.6,120 1,124 2,125 1,139 3,140 3,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 4,169 2,170 6,172 3,173 3,175 1,178 7,180 1,181 1,182 6,187 1,189 3,191 1,192 1,193 8,195 3,196 3,197 1,198 3,200 2,201 4,204 3,205 1,207 1,212 1,215 3,218 1,221 5,226 3,229 5,231 3,234 3,241 2,245 1,246 7,251 3,256 3,259 1,260 4,265 1,270 1,273 857,274 16.826,275 16.826,276 16.826,277 16.826,278 16.826,279 14.692,280 19.694,281 9.662,282 17.589,283 13.154,284 13.154,285 13.154,286 13.154,287 13.154,288 9.83,289 22.898,290 4.371,291 14.207,292 3.723,293 1.672,294 0.932,295 0.688,296 0.642,297 0.597,298 3.946,300 1,301 1,302 1,303 573,304 2.915,307 214.957,311 113.468,314 1.539,315 21.53,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54.5,327 271,328 4.654,329 4.439,330 6.835,331 4.184,332 3.212,333 4.616,334 3.272,335 11.231,336 3.126,337 4.265,338 3.332,339 6.165,340 3.837,341 2.899,342 3.91,343 0.86,344 9.125,345 2.708,346 3.909,347 3.168,348 5.803,349 3.499,350 2.552,351 3.411,352 0.86,353 7.871,354 2.417,355 3.556,356 2.887,357 5.249,358 3.14,359 2.248,360 2.871,362 6.62,363 1.984,364 3.452,365 2.451,366 5.094,367 2.97,368 2.038,369 2.857,371 5.899,372 1.894,373 3.372,374 2.183,375 5.005,376 2.895,377 1.97,378 2.694,380 5.787,381 1.815,382 2.919,383 2.1,384 4.367,385 2.521,386 1.609,387 2.057,389 4.126,390 1.461,391 2.707,392 1.995,393 4.243,394 2.309,395 1.362,396 1.778,398 3.546,399 1.285,400 2.097,401 1.492,402 3.377,403 1.749,404 0.89,405 1.039,407 2.01,408 0.748,409 1.849,410 1.212,411 3.04,412 1.528,413 0.639,414 0.751,415 1.201,416 0.56,417 1.484,418 0.937,419 2.84,420 1.201,421 0.35,422 0.383,423 0.493,424 0.295,425 1.343,426 0.628,427 2.812,428 0.938,429 0.054,430 0.067,431 0.12,432 0.047,433 1.188,434 0.416,435 2.616,436 0.836,437 -0.116,438 -0.142,439 -0.3,440 -0.11,441 0.936,442 0.107,443 2.487,444 0.498,445 -0.406,446 -0.513,448 -0.857,449 -0.362,450 0.748,451 -0.169,452 2.29,453 0.37,454 -0.528,455 -0.628,457 -1.19,458 -0.467,459 12,460 0.48,461 0.644,462 0.026,463 35,464 1.4,465 18.5,466 0.74,467 16.5,468 0.66,469 19.282,470 0.771,471 27,472 0.614,473 24.744,474 0.99,475 6.885,476 0.275,477 5.144,478 0.206,479 0.192,481 0.375,485 1.014,486 1.224,487 0.759,488 0.951,489 1.198,490 0.884,491 1.126,492 0.722,493 0.916,494 0.803,495 0.708,496 0.683,497 0.981,498 1.268,499 1.083,500 1.139,501 0.876,502 1.024,503 0.808,504 1.285,505 1.161,506 1.401,507 0.708,508 1.318,509 1.225,510 0.877,511 1.258,512 0.994,513 1.336,514 1.045,515 0.698,516 1.053,517 1.166,518 1.215,519 0.877,520 1.113,521 0.774,522 0.981,523 1.222,524 1.185,525 0.805,526 1.011,527 0.756,528 1.036,529 0.606,530 0.877,531 0.681,532 0.885,533 5.5,534 0.169,535 3.111,536 2.188,537 1.942,538 0.764,539 0.344,540 0.389,541 0.246,542 0.212,543 6987,544 21179,545 2.015,546 43.2,547 3,548 11,550 1,551 4,555 1.677,556 1.852,557 3.384,558 1.815,559 1,560 1,564 76.408,565 1.737,566 3.788,567 4.527,568 4.772,569 4.817,570 4.863,571 2.855,572 4.564,573 4.617,574 3.526,575 1057.89,576 7.969,577 12878.2,579 1,581 1,582 240.215,583 1.516,584 4.555,585 0.204,586 0.01,587 0.082,588 0.052,589 0.052,590 0.028,591 0.015,592 0.018,593 0.011,594 0.01,595 0.482,596 0.17,597 1,598 0.942,599 121.097,600 -0.129,601 -0.055,602 0.048,603 0.032,604 -0.243,605 0.041,606 0.015,607 0.349,608 0.127,609 0.274,610 0.184,611 0.283,612 -0.029,613 -0.116,614 -0.075,615 -0.04,616 -0.061,617 -0.071,618 0.068,619 -0.201,620 -0.123,621 -0.313,622 0.158,623 -0.342,624 -0.253,625 0.105,626 -0.164,627 0.029,628 -0.314,629 -0.063,630 -0.011,631 -0.095,632 -0.015,633 -0.092,634 -0.066,635 -0.058,636 -0.022,637 -0.049,638 -0.064,639 -0.053,640 -0.014,641 0.055,642 0.134,643 -0.141,644 0.211,645 -0.001,646 0.2,647 0.11,648 1.538,649 1.996,650 0.64,651 20.874,652 1.01,653 1.13,654 2.665,655 7.1,656 0.68,657 3.332,658 3.664,659 3.951,660 4.205,661 4.394,662 4.431,663 4.431,664 4.522,665 4.615,666 4.644,667 6.263,668 0.646,669 357.48,670 3.332,671 4.875,672 5.733,673 6.619,674 7.491,675 8.38,676 9.256,677 10.146,678 11.025,679 11.917,680 11.4,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 2,718 44,719 17,720 1,721 27,723 46,724 17,725 13,726 3,727 3,729 3,730 4,734 1,741 13,742 4,753 1,754 1,757 19,758 7,759 4,760 8,761 1,764 5,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,803 1,804 1,806 3,810 25,811 2,816 1,818 2,819 1,829 4.5,834 2,836 13.5,837 8.85,838 5.639,839 2.24,840 3.369,841 1.469,842 0.981,843 5.276,844 10.547,845 3.597,846 4.263,847 4.898,848 5.503,849 6.067,850 6.336,851 6.61,852 6.959,853 7.338,854 7.464,855 1,856 42,857 9.144,859 3.759,860 7.753,861 17.277,863 13.597,865 2.253,866 56.333,869 1,870 176.567,871 128.111,872 116.151,874 22,876 32.22,877 95.891,878 198.566,879 116.151,880 30.591,881 0.9,882 94.223,883 62.128,884 53.744,885 4.227,886 197.015,888 176.567,889 212.042,890 22,891 32.22,893 178.282,894 22,897 20.671,898 139.299,899 50.357,900 32.22,901 176.567,902 138.151,903 128.111,906 176.567,907 60.043,908 68.067,910 138.151,911 176.567,912 138.151,913 128.111,915 0.581,916 0.358,917 0.197,918 0.101,919 18,920 9,921 0.109,922 5,923 1,924 1.125,925 3.626,926 203.71,927 0.125,928 16,929 116.096,930 1,933 17.736,934 7.436,935 3.635,936 1.266,937 138.151,938 7.637,939 12.536,943 5.031,945 65.794,946 442.828,947 35.5,956 44.425,957 49.737,958 0.318,959 0.694,960 0.829,961 0.874,962 0.882,963 0.891,964 4.83,965 1.362,966 5.733,967 4.126,968 4.344,969 4.949,970 3.234,971 6.567,972 4.206,973 6.067,974 0.89,975 7.313,976 3.546,977 4.007,978 4.913,980 7.526,981 3.848,982 7.399,983 0.639,984 8.989,985 2.01,986 5.964,987 7.258,988 5.449,989 10.622,990 5.731,991 8.77,992 0.35,993 10.722,994 1.201,995 6.415,996 8.015,998 12.391,999 6.169,1000 10.169,1001 0.054,1002 12.492,1003 0.493,1004 7.862,1005 9.867,1006 7.807,1007 15.031,1008 7.564,1009 11.59,1010 -0.116,1011 14.287,1012 0.12,1013 8.682,1014 11.007,1016 17.156,1017 8.371,1018 13.029,1019 -0.406,1020 16.101,1021 -0.3,1022 9.933,1023 12.659,1024 10.177,1025 19.641,1026 9.585,1027 3.212,1028 -0.528,1029 17.932,1030 -0.857,1031 10.928,1032 13.993,1034 21.925,1035 10.563,1036 2.899,1037 11.231,1038 19.775,1039 -1.19,1040 12.105,1041 15.562,1042 12.548,1043 24.357,1044 11.711,1045 2.552,1046 9.125,1047 21.629,1048 4.616,1049 13.181,1050 16.992,1052 26.711,1053 12.768,1054 2.248,1055 7.871,1056 23.492,1057 3.91,1058 14.333,1059 18.528,1060 14.919,1061 29.127,1062 13.895,1063 2.038,1064 6.62,1065 25.363,1066 3.411,1067 15.447,1068 20.004,1070 31.513,1071 14.989,1072 1.97,1073 5.899,1074 27.241,1075 2.871,1076 16.594,1077 21.529,1078 17.29,1079 33.925,1080 16.112,1081 1.609,1082 5.787,1083 29.124,1084 2.857,1085 17.727,1086 23.03,1088 36.326,1089 17.224,1090 6887,1091 12113,1092 17.512,1093 29.915,1094 39.656,1095 43.424,1096 42.111,1097 39.495,1098 39.649,1099 52.866,1100 9.985,1101 116.059,1102 36.678,1103 5.487,1104 6.439,1105 6.388,1106 5.3,1107 5.212,1108 7.616,1109 6.545,1110 18.467,1111 5.126,1112 14.354,1113 1.469,1114 1.608,1115 1.56,1116 1.463,1117 1.468,1118 1.958,1119 0.37,1120 4.298,1121 1.358,1122 4.068,1123 4.105,1124 4.098,1125 3.972,1126 5.321,1127 3.977,1128 3.902,1129 3.912,1130 3.958,1131 3.836,1132 4.981,1133 3.828,1134 3.537,1135 3.598,1136 3.596,1137 3.39,1138 4.927,1139 3.387,1140 3.267,1141 3.323,1142 3.336,1143 3.093,1144 4.802,1145 3.06,1146 3.247,1147 3.314,1148 3.051,1149 2.955,1150 4.496,1151 2.961,1152 3.172,1153 3.268,1154 3.05,1155 2.941,1156 4.306,1157 2.948,1158 3.031,1159 3.153,1160 2.952,1161 2.841,1162 4.177,1163 2.82,1164 3.023,1165 3.111,1166 2.811,1167 2.704,1168 4.021,1169 2.719,1170 0.172,1171 0.164,1172 0.253,1173 0.155,1174 0.119,1175 4.654,1176 0.171,1177 4.439,1178 0.121,1179 6.835,1180 0.416,1181 4.184,1182 0.116,1183 3.212,1184 4.616,1185 3.272,1186 11.231,1187 3.126,1188 1.995,1189 1.967,1190 2.047,1191 2.124,1192 1.231,1193 2.104,1194 1.861,1195 1.851,1196 1.933,1197 1.961,1198 1.064,1199 1.959,1200 1.469,1201 1.418,1202 1.608,1203 1.682,1204 0.735,1205 1.675,1206 1.217,1207 1.157,1208 1.576,1209 1.524,1210 0.574,1211 1.539,1212 1.191,1213 1.115,1214 1.559,1215 1.49,1216 0.569,1217 1.52,1218 1.151,1219 1.063,1220 1.484,1221 1.414,1222 0.558,1223 1.438,1224 0.975,1225 0.902,1226 1.263,1227 1.339,1228 0.19,1229 1.341,1230 0.945,1231 0.826,1232 1.194,1233 1.222,1234 0.15,1235 1.249,1236 4.007,1238 5.333,1240 6.868,1242 8.504,1244 10.192,1246 5.233,1250 11.626,1252 0.73,1254 10.604,1255 1.672,1262 28.411,1263 76.408,1264 166.651,1265 199.195,1266 209.95,1267 211.95,1268 213.95,1269 36.602,1270 7.178,1271 109.17,1272 134.47,1273 18,1274 12.447,1275 4.17,1276 3.248,1277 41.955,1278 95,1279 90,1280 0.219,1281 181.336,1282 302.85,1283 434.219,1284 12143,1286 17.974,1287 0.719,1288 0.602,1289 18.328,1290 15.054,1291 12.028,1292 0.445,1293 0.316,1294 7.489,1295 10.976,1296 7.101,1297 5.959,1298 12.483,1299 8.537,1300 10.681,1301 0.281,1302 0.169,1303 11.258,1304 6.428,1305 9.183,1306 0.18,1307 0.097,1308 9.841,1309 4.926,1310 7.87,1311 0.119,1312 0.053,1313 8.596,1314 3.514,1315 5.881,1316 0.074,1317 0.03,1318 6.643,1319 2.384,1320 0.346,1321 80.79,1322 0.239,1323 24.287,1324 0.595,1325 130,1326 407.891,1327 166.199,1328 412.641,1329 566.63,1330 388,1331 154,1332 404.937,1333 186.124,1334 426.483,1335 621.3,1336 396,1337 6.745}
{0 CHEMBL23250,1 1.47,2 8.619,3 3.461,4 11.98,5 87.867,6 6.661,7 0.545,8 3.827,9 3.973,10 3.28,11 3.313,12 4.928,13 3.278,14 4.333,15 4.542,16 3.595,17 3.674,18 5.351,19 3.607,20 4.497,21 4.702,22 3.706,23 3.83,24 5.475,25 3.755,26 4.651,27 4.865,28 3.663,29 3.898,30 5.644,31 3.793,32 4.721,33 4.953,34 3.528,35 3.93,36 5.599,37 3.776,38 4.796,39 5.096,40 3.347,41 3.846,42 5.558,43 3.644,44 4.673,45 5.009,46 3.293,47 3.627,48 5.39,49 3.438,50 4.366,51 4.65,52 3.173,53 3.346,54 5.408,55 3.223,56 0.054,57 0.628,58 10.029,59 3.697,60 11.529,61 5.438,62 0.228,63 0.929,64 17.317,65 6.491,66 24.827,67 9.195,68 0.118,69 1.097,70 20.153,71 7.28,72 19.49,73 10.83,74 0.294,75 1.19,76 24.114,77 8.384,78 37.715,79 12.167,80 0.224,81 1.238,82 25.641,83 9.312,84 31.194,85 13.734,86 0.238,87 1.202,88 28.051,89 9.508,90 34.996,91 14.761,92 0.177,93 1.001,94 25.021,95 8.086,96 27.427,97 12.937,98 0.373,99 0.801,100 18.86,101 4.527,102 41.312,103 7.916,104 35,105 30,106 0.261,107 0.593,108 0.763,109 0.779,110 0.779,111 0.779,112 3.103,113 0.974,114 -4.26,115 -4.2,116 -3.97,119 37.2,120 2,121 3,124 1,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 4,172 3,173 3,175 1,178 11,180 1,182 6,187 1,189 12,191 1,193 5,195 1,196 1,197 1,198 2,200 2,201 11,204 2,205 1,207 5,212 3,215 8,218 3,221 5,226 3,229 3,231 3,234 4,239 4,243 4,245 2,246 4,248 1,249 1,251 4,256 4,265 2,270 2,273 548,274 14.127,275 14.127,276 14.127,277 14.127,278 14.127,279 12.574,280 20.388,281 8.17,282 14.472,283 10.642,284 10.642,285 10.642,286 10.642,287 10.642,288 8.164,289 24.654,290 3.589,291 11.108,292 3.956,293 2.078,294 1.122,295 1.029,296 1.029,297 1.029,298 3.759,300 1,301 1,302 1,303 367,304 2.739,307 144.113,314 1.197,315 16.158,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 45,327 181,328 4.429,329 3.336,330 6.525,331 4.052,332 3.072,333 4.113,334 0.86,335 10.267,336 3.01,337 4.228,338 3.071,339 6.088,340 3.814,341 2.856,342 3.875,343 0.68,344 8.842,345 2.74,346 3.599,347 2.536,348 5.281,349 3.234,350 2.278,351 2.933,353 6.714,354 2.178,355 3.362,356 2.358,357 5.19,358 3.061,359 2.061,360 2.662,362 6.118,363 2.061,364 3.355,365 2.179,366 4.921,367 2.939,368 1.999,369 2.604,371 5.65,372 1.869,373 2.823,374 1.807,375 4.146,376 2.353,377 1.422,378 1.952,380 3.672,381 1.32,382 2.204,383 1.527,384 3.769,385 2.054,386 1.142,387 1.189,389 2.394,390 1.03,391 1.618,392 0.707,393 3.009,394 1.396,395 0.423,396 0.481,398 0.887,399 0.403,400 1.576,401 0.625,402 2.859,403 1.38,404 0.396,405 0.452,407 0.603,408 0.396,409 1.394,410 0.456,411 2.491,412 1.184,413 0.268,414 0.298,415 0.375,416 0.243,417 0.957,418 0.017,419 2.359,420 0.635,421 -0.304,422 -0.362,423 -0.593,424 -0.283,425 0.796,426 -0.314,427 2.305,428 0.393,429 -0.514,430 -0.621,431 -1.242,432 -0.466,433 0.65,434 -0.448,435 2.294,436 0.306,437 -0.694,438 -0.878,439 -1.641,440 -0.694,441 0.454,442 -0.61,443 1.853,444 0.185,445 -0.767,446 -0.878,448 -1.764,449 -0.724,450 0.051,451 -0.951,452 1.377,453 -0.26,454 -1.205,455 -1.472,457 -3.189,458 -1.126,459 9.933,460 0.473,461 0.503,462 0.024,463 26.5,464 1.262,465 13.5,466 0.643,467 13,468 0.619,469 17.368,470 0.827,471 23.667,472 0.55,473 17.797,474 0.847,475 5.064,476 0.241,477 5.019,478 0.239,479 0.232,481 0.352,485 1.049,486 1.309,487 0.949,488 1.142,489 1.255,490 1.041,491 0.87,492 0.831,493 0.795,494 0.894,495 0.567,496 0.859,497 0.899,498 1.211,499 0.921,500 1.144,501 0.782,502 1.048,503 1.377,504 1.023,505 1.201,506 1.14,507 1.062,508 1.161,509 1.104,510 1.221,511 1.258,512 1.319,513 0.93,514 1.325,515 0.686,516 1.009,517 0.976,518 1.071,519 0.794,520 1.064,521 0.411,522 0.945,523 0.568,524 0.834,525 0.444,526 0.739,527 1.157,528 1.047,529 1.1,530 0.943,531 1.306,532 0.99,533 5,534 0.029,535 2.444,536 1.813,537 1.538,538 0.59,539 0.507,540 0.326,541 0.189,542 0.133,543 3742,544 9352,545 1.941,546 51.2,547 12,548 5,550 1,551 4,555 1.635,556 1.775,557 3.08,558 1.874,560 1,562 1,564 63.222,565 1.47,566 3.348,567 4.304,568 4.397,569 4.397,570 4.397,571 2.475,572 3.916,573 4.365,574 3.198,575 671.503,576 7.494,577 7089.8,579 1,581 1,582 233.329,583 1.545,584 4.294,585 0.227,586 0.007,587 0.081,588 0.055,589 0.051,590 0.024,591 0.025,592 0.016,593 0.012,594 0.015,595 0.514,596 0.17,597 1,598 1.103,599 94.117,600 -0.096,601 -0.018,602 0.017,603 0.012,604 -0.198,605 0.033,606 0.18,607 0.275,608 0.182,609 0.19,610 0.255,611 0.178,612 -0.021,613 -0.086,614 0.037,615 -0.051,616 0.002,617 -0.002,618 -0.146,619 0.05,620 -0.212,621 -0.09,622 -0.068,623 -0.154,624 -0.173,625 -0.199,626 -0.307,627 -0.254,628 -0.13,629 -0.298,630 -0.009,631 -0.114,632 -0.036,633 -0.086,634 -0.048,635 -0.069,636 0.205,637 -0.145,638 0.376,639 0.112,640 0.247,641 0.243,642 0.16,643 -0.06,644 -0.069,645 -0.086,646 0.045,647 -0.101,648 1.463,649 2.037,650 0.571,651 15.138,652 0.993,653 1.138,654 3.03,655 9.18,656 0.636,657 3.135,658 3.434,659 3.689,660 3.912,661 4.078,662 4.025,663 4.06,664 4.078,665 4.078,666 3.97,667 5.126,668 0.594,669 286.42,670 3.135,671 4.654,672 5.493,673 6.365,674 7.222,675 8.096,676 8.959,677 9.833,678 10.698,679 11.573,680 9.3,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,718 43,719 12,720 1,721 22,723 44,724 16,725 10,726 4,727 2,729 2,730 2,734 2,739 3,741 10,742 6,753 1,754 1,757 22,758 5,759 4,760 5,764 4,769 1,770 1,776 1,781 2,802 2,806 3,810 21,811 2,816 3,818 1,829 2.3,834 1,836 11.833,837 8.483,838 4.917,839 2.696,840 2.252,841 1.354,842 0.954,843 5.021,844 8.619,845 3.367,846 3.97,847 4.527,848 5.056,849 5.554,850 5.657,851 5.856,852 6.165,853 6.499,854 6.738,855 0.833,856 33,857 7.705,859 3.079,860 7.675,861 14.804,863 11.54,865 2.175,866 45.667,867 0.001,869 1,870 211.88,871 86.35,872 99.365,874 11,877 86.35,878 222.88,879 99.365,880 28.533,881 7.604,882 84.747,883 45.342,884 38.033,885 4.227,886 200.109,888 211.88,889 185.715,890 11,893 211.88,894 11,897 36.201,898 115.944,899 33.571,901 211.88,902 110.365,903 86.35,906 211.88,907 29.816,908 56.533,910 110.365,911 211.88,912 110.365,913 86.35,915 0.569,916 0.353,917 0.195,918 0.103,919 13,920 7,921 0.114,922 5,924 1,925 3.183,926 154.489,928 12,929 84.239,933 15.581,934 6.767,935 3.449,937 110.365,938 6.015,939 8.025,943 6.126,945 65.794,946 408.595,947 28,956 42.687,957 48.939,958 0.271,959 0.617,960 0.793,961 0.81,962 0.81,963 0.81,964 4.585,965 0.423,966 5.485,967 2.394,968 4.111,969 4.654,970 1.225,971 6.293,972 4.036,973 5.801,974 0.396,975 7.05,976 0.887,977 3.761,978 4.559,980 7.209,981 3.664,982 7.118,983 0.268,984 8.711,985 0.603,986 5.707,987 6.872,988 0.925,989 10.267,990 5.578,991 8.471,992 -0.304,993 10.425,994 0.375,995 6.133,996 7.524,998 11.957,999 5.98,1000 9.851,1001 -0.514,1002 12.173,1003 -0.593,1004 7.57,1005 9.351,1006 0.697,1007 14.547,1008 7.392,1009 11.249,1010 -0.694,1011 13.944,1012 -1.242,1013 8.356,1014 10.355,1016 16.577,1017 8.152,1018 12.662,1019 -0.767,1020 15.731,1021 -1.641,1022 9.591,1023 11.973,1024 0.525,1025 18.997,1026 9.366,1027 3.072,1028 -1.205,1029 17.531,1030 -1.764,1031 10.548,1032 13.159,1034 21.181,1035 10.297,1036 2.856,1037 10.267,1038 19.342,1039 -3.189,1040 11.701,1041 14.673,1042 0.395,1043 23.535,1044 11.43,1045 2.278,1046 8.842,1047 21.162,1048 4.113,1049 12.737,1050 15.956,1052 25.79,1053 12.442,1054 2.061,1055 6.714,1056 22.988,1057 3.875,1058 13.859,1059 17.417,1060 0.298,1061 28.12,1062 13.544,1063 1.999,1064 6.118,1065 24.821,1066 2.933,1067 14.932,1068 18.752,1070 30.408,1071 14.595,1072 1.422,1073 5.65,1074 26.659,1075 2.662,1076 16.042,1077 20.185,1078 0.224,1079 32.73,1080 15.685,1081 1.142,1082 3.672,1083 28.501,1084 2.604,1085 17.133,1086 21.549,1088 35.034,1089 16.755,1090 3895,1091 6265,1092 13.929,1093 27.33,1094 31.721,1095 32.441,1096 34.484,1097 31.844,1098 31.834,1099 41.12,1100 3.08,1101 91.044,1102 30.504,1103 5.201,1104 5.336,1105 6.067,1106 5.121,1107 5.072,1108 7.113,1109 1.72,1110 17.188,1111 5.01,1112 12.628,1113 1.442,1114 1.475,1115 1.567,1116 1.447,1117 1.447,1118 1.869,1119 0.14,1120 4.138,1121 1.387,1122 4.016,1123 4.044,1124 3.964,1125 3.948,1126 5.291,1127 3.947,1128 3.83,1129 3.881,1130 3.791,1131 3.674,1132 4.979,1133 3.696,1134 3.478,1135 3.557,1136 3.284,1137 3.342,1138 4.827,1139 3.318,1140 3.363,1141 3.44,1142 3.221,1143 3.201,1144 4.464,1145 3.193,1146 3.264,1147 3.335,1148 3.041,1149 2.984,1150 4.349,1151 2.988,1152 3.101,1153 3.213,1154 2.946,1155 2.839,1156 4.069,1157 2.848,1158 2.952,1159 3.07,1160 2.775,1161 2.631,1162 3.948,1163 2.654,1164 2.754,1165 2.863,1166 2.544,1167 2.565,1168 3.744,1169 2.538,1170 0.201,1171 0.152,1172 0.297,1173 0.184,1174 0.14,1175 4.429,1176 0.187,1177 3.336,1178 0.039,1179 6.525,1180 0.467,1181 4.052,1182 0.137,1183 3.072,1184 4.113,1185 0.86,1186 10.267,1187 3.01,1188 1.981,1189 1.96,1190 2.089,1191 2.072,1192 1.319,1193 2.076,1194 1.76,1195 1.715,1196 1.87,1197 1.948,1198 1.031,1199 1.926,1200 1.513,1201 1.44,1202 1.822,1203 1.702,1204 1.012,1205 1.748,1206 1.364,1207 1.288,1208 1.645,1209 1.573,1210 0.699,1211 1.607,1212 1.213,1213 1.139,1214 1.573,1215 1.535,1216 0.573,1217 1.547,1218 1.046,1219 0.952,1220 1.336,1221 1.376,1222 0.364,1223 1.37,1224 0.877,1225 0.755,1226 1.221,1227 1.239,1228 0.249,1229 1.254,1230 0.76,1231 0.676,1232 1.125,1233 1.035,1234 0.072,1235 1.06,1236 3.807,1238 5.106,1240 6.616,1242 8.225,1244 9.883,1246 5.975,1250 11.442,1252 2.547,1254 5.537,1262 25.542,1263 63.222,1264 143.971,1265 185.065,1266 189.065,1267 189.065,1268 189.065,1269 33.07,1270 6.366,1271 87.05,1272 87.05,1273 12,1274 12.114,1275 3.7,1276 2.807,1277 39.145,1278 64,1279 64,1280 0.308,1281 163.07,1282 275.79,1283 389.651,1284 3874,1286 15.405,1287 0.734,1288 0.61,1289 15.405,1290 12.811,1291 10.083,1292 0.458,1293 0.325,1294 7.048,1295 9.727,1296 6.759,1297 5.725,1298 10.083,1299 7.141,1300 8.637,1301 0.288,1302 0.166,1303 8.637,1304 4.97,1305 7.249,1306 0.186,1307 0.092,1308 7.249,1309 3.58,1310 5.991,1311 0.122,1312 0.051,1313 5.991,1314 2.506,1315 4.639,1316 0.08,1317 0.03,1318 4.639,1319 1.734,1320 0.47,1321 63.055,1322 0.268,1323 20.556,1324 0.879,1325 104,1326 279.65,1327 112.929,1328 275.67,1329 380.73,1330 258,1331 121,1332 284.517,1333 129.651,1334 292.976,1335 423.43,1336 273,1337 4.237}
{0 CHEMBL23272,1 1.565,2 9.318,3 3.098,4 9.596,5 92.416,6 7.986,7 0.708,8 3.762,9 3.894,10 3.439,11 3.374,12 4.921,13 3.32,14 4.229,15 4.404,16 3.807,17 3.757,18 5.354,19 3.669,20 4.382,21 4.544,22 3.889,23 3.889,24 5.446,25 3.785,26 4.522,27 4.734,28 3.862,29 3.877,30 5.601,31 3.724,32 4.535,33 4.796,34 3.513,35 3.75,36 5.481,37 3.57,38 4.288,39 4.54,40 3.448,41 3.554,42 5.227,43 3.408,44 4.206,45 4.465,46 3.249,47 3.484,48 5.093,49 3.33,50 4.091,51 4.338,52 3.22,53 3.351,54 5.077,55 3.231,56 0.042,57 0.627,58 7.955,59 3.361,60 9.69,61 4.274,62 0.185,63 0.973,64 16.216,65 6.453,66 19.883,67 7.989,68 0.082,69 1.13,70 18.124,71 7.107,72 11.697,73 8.732,74 0.227,75 1.24,76 23.315,77 8.606,78 31.459,79 10.885,80 0.289,81 1.184,82 29.004,83 8.484,84 37.44,85 10.291,86 0.172,87 0.911,88 18.476,89 5.984,90 23.452,91 8.446,92 0.116,93 0.809,94 17.557,95 6.348,96 18.444,97 8.446,98 0.088,99 0.737,100 13.681,101 4.94,102 17.143,103 7.043,104 17,105 34,106 0.278,107 0.642,108 0.777,109 0.841,110 0.868,111 0.868,112 3.147,113 0.987,114 -4.91,115 -4.82,116 -4.52,119 41,120 2,125 1,139 4,140 4,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 8,169 2,170 4,172 3,173 3,175 1,178 12,180 1,182 3,187 1,189 6,191 1,192 1,193 6,195 3,196 3,197 1,198 3,200 2,201 7,204 3,205 1,212 1,215 4,218 1,221 4,226 3,229 8,231 3,234 2,241 6,246 6,251 3,254 4,256 3,260 4,265 2,270 2,273 612,274 14.585,275 14.585,276 14.585,277 14.585,278 14.585,279 12.4,280 14.887,281 8.488,282 15.004,283 11.828,284 11.828,285 11.828,286 11.828,287 11.828,288 8.596,289 16.507,290 4.033,291 12.52,292 3.72,293 1.67,294 0.911,295 0.552,296 0.398,297 0.398,298 3.825,300 1,301 1,302 1,303 438,304 2.449,307 178.462,311 93.047,314 1.5,315 15.37,316 1,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 46.5,327 205,328 4.654,329 4.438,330 6.835,331 4.184,332 3.212,333 4.616,334 3.272,335 11.231,336 3.126,337 4.048,338 3.323,339 5.806,340 3.619,341 2.67,342 3.65,344 7.895,345 2.543,346 3.897,347 2.954,348 5.496,349 3.48,350 2.52,351 3.406,353 7.394,354 2.412,355 3.455,356 2.541,357 5.097,358 3.001,359 2.073,360 2.861,362 5.918,363 1.914,364 3.4,365 2.369,366 5.009,367 2.921,368 2,369 2.719,371 5.796,372 1.832,373 3.279,374 2.096,375 4.746,376 2.867,377 1.925,378 2.535,380 5.288,381 1.796,382 2.71,383 1.991,384 4.242,385 2.311,386 1.362,387 1.784,389 3.541,390 1.287,391 2.669,392 1.488,393 3.493,394 2.191,395 1.206,396 1.746,398 2.629,399 1.183,400 1.999,401 1.29,402 3.32,403 1.643,404 0.768,405 0.916,407 1.821,408 0.656,409 1.386,410 0.556,411 2.834,412 0.952,413 0.059,414 0.074,415 0.147,416 0.052,417 1.19,418 0.382,419 2.803,420 0.836,421 -0.116,422 -0.143,423 -0.302,424 -0.111,425 0.964,426 0.106,427 2.582,428 0.594,429 -0.394,430 -0.502,431 -0.89,432 -0.377,433 0.883,434 -0.133,435 2.168,436 0.467,437 -0.452,438 -0.572,439 -1.156,440 -0.424,441 0.654,442 -0.294,443 2,444 0.255,445 -0.67,446 -0.812,448 -1.722,449 -0.604,450 0.424,451 -0.577,452 2,453 0.057,454 -0.867,455 -1.126,457 -2.209,458 -0.787,459 10.833,460 0.492,461 0.63,462 0.029,463 31.5,464 1.432,465 17.5,466 0.795,467 14,468 0.636,469 16.363,470 0.744,471 22.767,472 0.584,473 20.175,474 0.917,475 5.941,476 0.27,477 4.601,478 0.209,479 0.166,481 0.369,485 1.094,486 1.085,487 0.774,488 0.813,489 1.304,490 0.819,491 0.446,492 0.79,493 0.9,494 0.919,495 0.387,496 0.804,497 1.039,498 1.268,499 1.134,500 1.181,501 0.923,502 1.108,503 0.619,504 1.135,505 1.113,506 1.248,507 0.578,508 1.191,509 1.591,510 0.929,511 1.588,512 1.195,513 1.434,514 1.062,515 0.885,516 0.984,517 0.849,518 0.975,519 0.994,520 1.005,521 0.753,522 0.896,523 0.923,524 0.953,525 0.825,526 0.942,527 0.734,528 1.135,529 0.687,530 0.952,531 0.745,532 1.012,533 5,534 0.07,535 2.444,536 2,537 1.591,538 0.583,539 0.304,540 0.333,541 0.156,542 0.161,543 4940,544 13182,545 2.043,546 43.6,547 6,548 6,550 1,551 4,555 1.643,556 1.886,557 3.187,558 1.87,559 1,560 1,562 1,564 61.034,565 1.565,566 3.616,567 4.375,568 4.734,569 4.888,570 4.888,571 2.704,572 4.096,573 4.432,574 3.344,575 772.369,576 7.602,577 8430.85,578 1,579 1,580 1,581 1,582 206.131,583 1.495,584 4.376,585 0.208,586 0.007,587 0.072,588 0.057,589 0.053,590 0.027,591 0.015,592 0.018,593 0.009,594 0.012,595 0.478,596 0.17,597 1,598 0.65,599 101.079,600 -0.168,601 0.048,602 0.042,603 0.119,604 -0.296,605 0.085,606 0.433,607 0.284,608 0.127,609 0.142,610 0.368,611 0.168,612 -0.142,613 -0.181,614 -0.112,615 -0.127,616 -0.152,617 -0.156,618 0.316,619 -0.121,620 -0.02,621 -0.18,622 0.315,623 -0.209,624 -0.391,625 0.095,626 -0.313,627 -0.072,628 -0.307,629 -0.08,630 0.003,631 -0.055,632 0.081,633 -0.022,634 -0.07,635 -0.015,636 0.002,637 -0.002,638 0.029,639 0.039,640 -0.025,641 0.085,642 0.086,643 -0.236,644 0.092,645 -0.085,646 0.12,647 -0.031,648 1.515,649 1.976,650 0.727,651 16.909,652 0.997,653 1.126,654 3.684,655 13.575,656 0.699,657 3.219,658 3.555,659 3.807,660 4.078,661 4.263,662 4.29,663 4.29,664 4.394,665 4.454,666 4.466,667 5.557,668 0.653,669 311.45,670 3.219,671 4.762,672 5.609,673 6.494,674 7.356,675 8.245,676 9.113,677 10.005,678 10.879,679 11.772,680 12.8,684 2,690 3,694 2,695 5,696 3,700 6,702 17,711 2,718 39,719 17,720 1,721 24,723 41,724 16,725 13,726 2,727 4,729 3,730 4,734 2,741 13,742 3,753 1,754 1,757 17,758 5,759 4,760 6,761 1,764 5,769 0.667,775 1,776 1,781 3,785 1,802 2,803 1,804 1,806 2,810 22,811 2,816 1,819 1,836 11.667,837 7.6,838 4.778,839 2.122,840 3.326,841 1.482,842 1.012,843 4.076,844 10.227,845 3.512,846 4.19,847 4.804,848 5.424,849 5.985,850 6.241,851 6.527,852 6.906,853 7.28,854 7.376,855 1,856 35,857 8.062,859 3.356,860 7.667,861 15.434,863 12.461,865 2.167,866 47.667,870 153.024,871 117.345,872 116.151,876 32.22,877 85.125,878 153.024,879 116.151,880 17.65,881 0.9,882 103.699,883 62.128,884 24.443,885 4.227,886 173.473,888 153.024,889 201.276,891 32.22,893 154.74,897 29.497,898 119.708,899 50.357,900 32.22,901 153.024,902 116.151,903 117.345,906 153.024,907 52.742,908 64.603,910 116.151,911 153.024,912 116.151,913 117.345,915 0.589,916 0.341,917 0.188,918 0.097,919 17,920 8,921 0.073,922 3,923 1,924 1.125,925 3.399,926 171.548,927 0.125,928 16,929 96.107,930 1,933 14.917,934 6.012,935 3.122,936 1.336,937 116.151,938 10.283,939 12.537,943 5.211,945 65.794,946 386.52,947 32.5,956 38.887,957 43.903,958 0.296,959 0.684,960 0.828,961 0.896,962 0.925,963 0.925,964 4.738,965 1.206,966 5.609,967 3.541,968 4.234,969 4.875,970 3.11,971 6.425,972 4.129,973 5.98,974 0.768,975 7.174,976 2.629,977 3.892,978 4.808,980 7.334,981 3.768,982 7.307,983 0.059,984 8.837,985 1.821,986 5.832,987 7.179,988 5.44,989 10.447,990 5.649,991 8.669,992 -0.116,993 10.557,994 0.147,995 6.256,996 7.899,998 12.199,999 6.066,1000 10.06,1001 -0.394,1002 12.315,1003 -0.302,1004 7.709,1005 9.779,1006 7.807,1007 14.862,1008 7.472,1009 11.474,1010 -0.452,1011 14.103,1012 -0.89,1013 8.509,1014 10.899,1016 16.997,1017 8.266,1018 12.906,1019 -0.67,1020 15.913,1021 -1.156,1022 9.768,1023 12.571,1024 10.177,1025 19.503,1026 9.489,1027 3.212,1028 -0.867,1029 17.742,1030 -1.722,1031 10.754,1032 13.899,1034 21.804,1035 10.464,1036 2.67,1037 11.231,1038 19.587,1039 -2.209,1040 11.939,1041 15.481,1042 12.548,1043 24.254,1044 11.62,1045 2.52,1046 7.895,1047 21.445,1048 4.616,1049 13.014,1050 16.913,1052 26.624,1053 12.678,1054 2.073,1055 7.394,1056 23.314,1057 3.65,1058 14.175,1059 18.458,1060 14.919,1061 29.054,1062 13.813,1063 2,1064 5.918,1065 25.192,1066 3.406,1067 15.293,1068 19.94,1070 31.452,1071 14.911,1072 1.925,1073 5.796,1074 27.079,1075 2.861,1076 16.448,1077 21.473,1078 17.29,1079 33.874,1080 16.041,1081 1.362,1082 5.288,1083 28.971,1084 2.719,1085 17.588,1086 22.979,1088 36.285,1089 17.158,1090 4824,1091 8013,1092 15.72,1093 27.245,1094 35.913,1095 38.848,1096 37.087,1097 35.504,1098 35.591,1099 48.614,1100 6.545,1101 103.32,1102 33.602,1103 5.482,1104 6.438,1105 6.396,1106 5.29,1107 5.212,1108 7.616,1109 6.545,1110 18.467,1111 5.126,1112 11.502,1113 1.496,1114 1.619,1115 1.545,1116 1.479,1117 1.483,1118 2.026,1119 0.273,1120 4.305,1121 1.4,1122 4.067,1123 4.105,1124 4.096,1125 3.975,1126 5.321,1127 3.978,1128 3.901,1129 3.928,1130 3.952,1131 3.86,1132 4.981,1133 3.844,1134 3.535,1135 3.598,1136 3.569,1137 3.396,1138 4.808,1139 3.388,1140 3.206,1141 3.286,1142 3.313,1143 3.108,1144 4.725,1145 3.055,1146 3.162,1147 3.252,1148 3.05,1149 2.97,1150 4.189,1151 2.957,1152 3.046,1153 3.153,1154 2.921,1155 2.889,1156 4.024,1157 2.87,1158 3.023,1159 3.121,1160 2.814,1161 2.705,1162 3.897,1163 2.722,1164 2.786,1165 2.855,1166 2.664,1167 2.63,1168 3.743,1169 2.63,1170 0.194,1171 0.185,1172 0.285,1173 0.174,1174 0.134,1175 4.654,1176 0.192,1177 4.438,1178 0.136,1179 6.835,1180 0.468,1181 4.184,1182 0.13,1183 3.212,1184 4.616,1185 3.272,1186 11.231,1187 3.126,1188 1.996,1189 1.968,1190 2.049,1191 2.124,1192 1.234,1193 2.104,1194 1.901,1195 1.877,1196 2.011,1197 1.969,1198 1.126,1199 1.993,1200 1.472,1201 1.42,1202 1.608,1203 1.681,1204 0.755,1205 1.675,1206 1.222,1207 1.152,1208 1.536,1209 1.425,1210 0.587,1211 1.473,1212 1.155,1213 1.07,1214 1.483,1215 1.4,1216 0.558,1217 1.431,1218 0.997,1219 0.933,1220 1.263,1221 1.339,1222 0.214,1223 1.341,1224 0.946,1225 0.826,1226 1.2,1227 1.228,1228 0.121,1229 1.256,1230 0.788,1231 0.716,1232 1.07,1233 0.975,1235 1.016,1236 3.892,1238 5.22,1240 6.749,1242 8.377,1244 10.057,1246 4.112,1250 11.591,1252 0.821,1255 1.773,1262 25.455,1263 61.034,1264 141.011,1265 170.621,1266 184.621,1267 190.621,1268 190.621,1269 28.335,1270 6.902,1271 90.71,1272 116.01,1273 18,1274 12.303,1275 4.17,1276 3.248,1277 34.576,1278 73,1279 66,1280 0.235,1281 163.751,1282 267.97,1283 391.312,1284 8522,1286 15.69,1287 0.713,1288 0.605,1289 16.043,1290 13.315,1291 10.542,1292 0.439,1293 0.329,1294 6.931,1295 9.795,1296 6.559,1297 5.504,1298 10.996,1299 7.896,1300 9.803,1301 0.288,1302 0.183,1303 10.38,1304 6.228,1305 7.93,1306 0.18,1307 0.104,1308 8.589,1309 4.561,1310 6.969,1311 0.12,1312 0.059,1313 7.743,1314 3.402,1315 5.119,1316 0.073,1317 0.032,1318 5.796,1319 2.217,1320 0.366,1321 69.639,1322 0.252,1323 21.658,1324 0.651,1325 116,1326 304.42,1327 146.442,1328 328.975,1329 457.84,1330 308,1331 136,1332 332.846,1333 162.033,1334 356.149,1335 518.54,1336 333,1337 6.481}
{0 CHEMBL23286,1 1.819,2 10.875,3 1.799,4 3.236,5 92.359,6 8.611,7 0.654,8 3.823,9 3.938,10 3.548,11 3.328,12 5.058,13 3.324,14 4.284,15 4.442,16 3.892,17 3.667,18 5.497,19 3.641,20 4.365,21 4.506,22 4,23 3.768,24 5.61,25 3.734,26 4.428,27 4.594,28 3.898,29 3.76,30 5.62,31 3.683,32 4.492,33 4.71,34 3.698,35 3.711,36 5.525,37 3.592,38 4.392,39 4.636,40 3.555,41 3.588,42 5.352,43 3.431,44 4.204,45 4.455,46 3.333,47 3.399,48 5.115,49 3.266,50 3.969,51 4.161,52 3.374,53 3.229,54 5.134,55 3.198,56 0.117,57 0.654,58 7.163,59 3.302,60 12.378,61 3.704,62 0.391,63 0.961,64 16.738,65 5.981,66 30.47,67 6.458,68 0.431,69 1.092,70 16.688,71 5.903,72 28.485,73 6.45,74 0.374,75 1.085,76 19.051,77 7.022,78 32.706,79 8.008,80 0.464,81 1.041,82 21.07,83 7.225,84 40.156,85 8.778,86 0.384,87 0.957,88 23.743,89 6.746,90 34.192,91 8.623,92 0.332,93 0.747,94 21.922,95 6.526,96 26.246,97 8.047,98 0.256,99 0.643,100 10.709,101 3.674,102 20.069,103 4.961,104 21,105 36,106 0.321,107 0.672,108 0.78,109 0.828,110 0.837,111 0.846,112 3.228,113 0.921,114 -3.16,115 -3.16,116 -3.03,119 37.5,124 2,125 1,139 3,141 3,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 1,169 2,170 2,172 3,173 3,178 3,181 4,182 4,184 1,185 1,189 2,192 1,193 3,195 3,196 3,197 1,200 2,205 1,207 3,209 1,210 1,221 5,226 1,231 1,233 1,234 1,245 2,246 4,251 3,256 3,259 1,260 2,265 1,270 1,273 754,274 16.273,275 16.273,276 16.273,277 16.273,278 16.273,279 14.213,280 18.836,281 9.449,282 17.092,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.461,289 20.579,290 4.317,291 13.864,292 3.503,293 1.519,294 0.907,295 0.638,296 0.588,297 0.538,298 3.91,300 1,301 1,302 1,303 554,304 2.828,307 207.503,311 109.017,314 1.563,315 23.09,317 1,318 1,319 1,320 1,321 0.6,323 0.83,324 1,325 0.78,326 53,327 261,328 4.541,329 4.437,330 6.502,331 4.02,332 3.079,333 4.491,334 3.272,335 10.175,336 2.897,337 4.265,338 3.214,339 6.165,340 3.837,341 2.899,342 3.91,343 0.86,344 9.125,345 2.708,346 3.782,347 3.115,348 5.367,349 3.368,350 2.447,351 3.237,352 0.86,353 7.013,354 2.258,355 3.547,356 2.883,357 5.192,358 3.115,359 2.216,360 2.866,362 6.494,363 1.969,364 3.427,365 2.286,366 5.062,367 2.957,368 2.031,369 2.811,371 5.8,372 1.874,373 3.356,374 2.183,375 4.964,376 2.87,377 1.947,378 2.678,380 5.735,381 1.792,382 2.919,383 2.099,384 4.365,385 2.521,386 1.609,387 2.057,389 4.124,390 1.461,391 2.454,392 1.897,393 3.71,394 1.919,395 1.01,396 1.435,398 2.565,399 0.917,400 2.05,401 1.214,402 3.314,403 1.706,404 0.854,405 0.988,407 1.907,408 0.713,409 1.804,410 1.058,411 3.012,412 1.473,413 0.603,414 0.702,415 1.144,416 0.516,417 1.471,418 0.937,419 2.753,420 1.189,421 0.34,422 0.371,423 0.467,424 0.286,425 1.337,426 0.609,427 2.609,428 0.905,429 0.021,430 0.027,431 0.049,432 0.018,433 0.976,434 0.234,435 2.51,436 0.499,437 -0.403,438 -0.495,439 -0.81,440 -0.356,441 0.828,442 -0.168,443 2.415,444 0.433,445 -0.468,446 -0.587,448 -1.156,449 -0.419,450 0.598,451 -0.294,452 2.232,453 0.168,454 -0.756,455 -0.91,457 -1.878,458 -0.681,459 11.4,460 0.475,461 0.571,462 0.024,463 35,464 1.458,465 18.5,466 0.771,467 16.5,468 0.688,469 16.316,470 0.68,471 25.8,472 0.645,473 24.151,474 1.006,475 6.897,476 0.287,477 4.704,478 0.196,479 0.158,481 0.351,485 1.041,486 1.307,487 0.73,488 0.955,489 1.204,490 0.856,491 1.194,492 0.876,493 0.953,494 0.868,495 0.77,496 0.709,497 1.008,498 1.095,499 1.115,500 1.099,501 0.903,502 0.965,503 0.895,504 1.137,505 1.155,506 1.344,507 0.765,508 1.244,509 1.122,510 0.97,511 1.03,512 0.988,513 1.119,514 1.122,515 0.852,516 1.051,517 1.293,518 1.253,519 1.031,520 1.145,521 0.718,522 0.912,523 1.214,524 1.146,525 0.579,526 0.876,527 0.787,528 1.191,529 0.668,530 0.961,531 0.761,532 0.979,533 5.5,534 0.169,535 2.667,536 1.5,537 1.791,538 0.535,539 0.303,540 0.342,541 0.176,542 0.192,543 6534,544 21088,545 2.04,546 40,548 11,550 1,551 4,555 1.664,556 1.895,557 3.403,558 1.901,559 1,560 1,562 1,564 72.764,565 1.819,566 3.803,567 4.415,568 4.684,569 4.734,570 4.784,571 2.872,572 4.168,573 4.559,574 3.539,575 976.854,576 7.841,577 11707.1,578 1,579 1,581 1,582 212.877,583 1.459,584 4.507,585 0.212,586 0.011,587 0.074,588 0.039,589 0.056,590 0.021,591 0.015,592 0.017,593 0.008,594 0.01,595 0.464,596 0.17,597 1,598 0.921,599 115.344,600 -0.172,601 -0.139,602 0.042,603 0.01,604 -0.277,605 0.032,606 -0.052,607 0.197,608 0.084,609 0.207,610 0.133,611 0.231,612 0.021,613 0.069,614 -0.087,615 -0.024,616 -0.011,617 -0.069,618 0.026,619 -0.068,620 -0.123,621 -0.256,622 0.112,623 -0.278,624 -0.173,625 -0.03,626 -0.066,627 -0.003,628 -0.189,629 -0.123,630 -0.09,631 -0.088,632 -0.073,633 -0.103,634 -0.176,635 -0.082,636 0.094,637 -0.019,638 0.058,639 0.054,640 0.18,641 0.245,642 0.148,643 -0.218,644 0.106,645 -0.096,646 0.173,647 -0.03,648 1.582,649 1.832,650 0.667,651 20.153,652 1.019,653 1.135,654 1.935,655 3.743,656 0.685,657 3.296,658 3.611,659 3.871,660 4.111,661 4.331,662 4.317,663 4.344,664 4.407,665 4.522,666 4.522,667 6.312,668 0.659,669 344.44,670 3.296,671 4.828,672 5.673,673 6.547,674 7.407,675 8.282,676 9.146,677 10.021,678 10.889,679 11.764,680 15,684 2,690 4,694 2,695 4,696 4,700 6,702 17,711 2,716 2,718 40,719 17,720 1,721 26,723 42,724 15,725 12,726 3,727 3,729 3,730 4,741 12,742 3,753 1,754 1,757 16,758 8,759 4,760 9,761 1,764 6,769 0.667,770 2,774 1,776 1,781 3,785 1,802 2,803 1,804 1,806 2,810 24,811 2,816 1,818 2,819 1,829 5,834 2,836 12.667,837 7.8,838 5.417,839 1.965,840 3.345,841 1.472,842 0.982,843 4.994,844 10.44,845 3.57,846 4.22,847 4.834,848 5.43,849 6.016,850 6.238,851 6.526,852 6.852,853 7.262,854 7.322,855 1,856 38,857 8.759,859 3.608,860 7.819,861 16.373,863 12.744,865 2.319,866 55.667,870 141.253,871 115.242,872 132.936,874 22,876 32.22,877 83.023,878 163.253,879 132.936,880 21.766,881 0.9,882 94.223,883 78.913,884 49.701,885 4.227,886 161.702,888 141.253,889 215.959,890 22,891 32.22,893 142.969,894 22,897 16.747,898 130.355,899 67.142,900 32.22,901 141.253,902 154.936,903 115.242,906 141.253,907 56,908 59.242,910 154.936,911 141.253,912 154.936,913 115.242,915 0.577,916 0.347,917 0.19,918 0.102,919 17,920 8,921 0.119,922 5,923 1,924 1.125,925 3.616,926 189.081,927 0.125,928 16,929 110.039,930 1,933 16.706,934 7.174,935 3.695,936 0.842,937 154.936,938 7.388,939 16.628,943 3.471,945 65.794,946 411.432,947 34.5,956 40.76,957 45.405,958 0.342,959 0.715,960 0.83,961 0.88,962 0.89,963 0.899,964 4.79,965 1.01,966 5.659,967 4.124,968 4.29,969 4.905,970 3.234,971 6.457,972 4.126,973 6.015,974 0.854,975 7.213,976 2.565,977 3.892,978 4.808,980 7.322,981 3.681,982 7.334,983 0.603,984 8.86,985 1.907,986 5.878,987 7.19,988 5.449,989 10.383,990 5.578,991 8.69,992 0.34,993 10.561,994 1.144,995 6.256,996 7.878,998 12.036,999 5.902,1000 10.074,1001 0.021,1002 12.296,1003 0.467,1004 7.722,1005 9.755,1006 7.807,1007 14.621,1008 7.301,1009 11.478,1010 -0.403,1011 14.054,1012 0.049,1013 8.471,1014 10.833,1016 16.626,1017 7.992,1018 12.897,1019 -0.468,1020 15.83,1021 -0.81,1022 9.723,1023 12.494,1024 10.177,1025 19.037,1026 9.185,1027 3.079,1028 -0.756,1029 17.619,1030 -1.156,1031 10.657,1032 13.775,1034 21.203,1035 10.058,1036 2.899,1037 10.175,1038 19.421,1039 -1.878,1040 11.818,1041 15.338,1042 12.548,1043 23.546,1044 11.164,1045 2.447,1046 9.125,1047 21.231,1048 4.491,1049 12.842,1050 16.724,1052 25.786,1053 12.125,1054 2.216,1055 7.013,1056 23.05,1057 3.91,1058 13.967,1059 18.244,1060 14.919,1061 28.104,1062 13.195,1063 2.031,1064 6.494,1065 24.875,1066 3.237,1067 15.034,1068 19.683,1070 30.378,1071 14.199,1072 1.947,1073 5.8,1074 26.706,1075 2.866,1076 16.146,1077 21.185,1078 17.29,1079 32.687,1080 15.254,1081 1.609,1082 5.735,1083 28.542,1084 2.811,1085 17.234,1086 22.651,1088 34.978,1089 16.28,1090 6403,1091 11642,1092 17.107,1093 27.398,1094 38.06,1095 41.874,1096 39.921,1097 37.979,1098 38.11,1099 51.144,1100 9.985,1101 109.197,1102 34.816,1103 5.369,1104 6.437,1105 6.056,1106 5.14,1107 5.079,1108 7.491,1109 6.545,1110 17.069,1111 4.897,1112 12.74,1113 1.464,1114 1.611,1115 1.535,1116 1.461,1117 1.466,1118 1.967,1119 0.384,1120 4.2,1121 1.339,1122 4.03,1123 4.079,1124 4.079,1125 3.9,1126 5.342,1127 3.903,1128 3.901,1129 3.912,1130 3.947,1131 3.807,1132 4.989,1133 3.818,1134 3.505,1135 3.566,1136 3.592,1137 3.37,1138 4.928,1139 3.355,1140 3.257,1141 3.314,1142 3.298,1143 3.045,1144 4.859,1145 3.034,1146 3.247,1147 3.314,1148 3.051,1149 2.952,1150 4.496,1151 2.959,1152 3.101,1153 3.22,1154 2.993,1155 2.849,1156 4.309,1157 2.828,1158 3.031,1159 3.112,1160 2.951,1161 2.778,1162 4.203,1163 2.816,1164 2.783,1165 2.857,1166 2.658,1167 2.644,1168 4.045,1169 2.625,1170 0.175,1171 0.171,1172 0.25,1173 0.155,1174 0.118,1175 4.541,1176 0.173,1177 4.437,1178 0.126,1179 6.502,1180 0.391,1181 4.02,1182 0.111,1183 3.079,1184 4.491,1185 3.272,1186 10.175,1187 2.897,1188 1.92,1189 1.886,1190 1.955,1191 2.104,1192 1.104,1193 2.066,1194 1.857,1195 1.838,1196 1.925,1197 1.961,1198 0.978,1199 1.959,1200 1.437,1201 1.389,1202 1.576,1203 1.646,1204 0.715,1205 1.638,1206 1.199,1207 1.135,1208 1.574,1209 1.524,1210 0.574,1211 1.539,1212 1.191,1213 1.114,1214 1.544,1215 1.485,1216 0.569,1217 1.511,1218 0.992,1219 0.911,1220 1.269,1221 1.378,1222 0.189,1223 1.359,1224 0.969,1225 0.871,1226 1.196,1227 1.222,1228 0.15,1229 1.25,1230 0.808,1231 0.738,1232 1.097,1233 0.993,1235 1.033,1236 3.97,1238 5.283,1240 6.801,1242 8.416,1244 10.079,1246 3.212,1250 11.384,1252 0.613,1254 10.533,1255 1.595,1262 26.379,1263 72.764,1264 152.122,1265 176.612,1266 187.367,1267 189.367,1268 191.367,1269 33.101,1270 7.095,1271 122.06,1272 147.36,1273 18,1274 12.305,1275 4.17,1276 3.248,1277 39.521,1278 93,1279 82,1280 0.212,1281 168.945,1282 279.25,1283 403.987,1284 11138,1286 17.104,1287 0.713,1288 0.583,1289 17.458,1290 14.001,1291 11.601,1292 0.446,1293 0.307,1294 6.921,1295 10.492,1296 6.619,1297 5.532,1298 12.055,1299 7.984,1300 10.25,1301 0.285,1302 0.163,1303 10.827,1304 5.855,1305 8.647,1306 0.184,1307 0.091,1308 9.324,1309 4.27,1310 7.228,1311 0.12,1312 0.049,1313 7.892,1314 2.924,1315 5.784,1316 0.077,1317 0.028,1318 6.532,1319 2.088,1320 0.337,1321 78.633,1322 0.242,1323 23.613,1324 0.567,1325 124,1326 419.536,1327 162.253,1328 421.357,1329 576.34,1330 396,1331 145,1332 411.754,1333 179.872,1334 430.39,1335 626.44,1336 400,1337 4.44}
{0 CHEMBL23288,1 1.693,2 11,3 1.343,4 1.804,5 99.01,6 7.748,7 0.607,8 3.954,9 4.079,10 3.538,11 3.363,12 5.172,13 3.395,14 4.434,15 4.609,16 3.867,17 3.699,18 5.606,19 3.721,20 4.528,21 4.674,22 3.992,23 3.844,24 5.719,25 3.855,26 4.691,27 4.881,28 3.957,29 3.888,30 5.873,31 3.854,32 4.778,33 4.993,34 3.745,35 3.863,36 5.798,37 3.795,38 4.693,39 4.925,40 3.509,41 3.769,42 5.679,43 3.656,44 4.651,45 4.958,46 3.421,47 3.638,48 5.456,49 3.509,50 4.392,51 4.645,52 3.486,53 3.48,54 5.408,55 3.42,56 0.132,57 0.699,58 9.272,59 3.421,60 13.527,61 4.581,62 0.488,63 1.001,64 17.93,65 5.703,66 36.235,67 7.462,68 0.456,69 1.174,70 17.789,71 5.943,72 25.763,73 8.305,74 0.61,75 1.245,76 22.657,77 7.639,78 46.228,79 10.629,80 0.721,81 1.205,82 27.271,83 7.833,84 53.173,85 11.084,86 0.633,87 1.11,88 24.95,89 7.445,90 49.771,91 10.659,92 0.483,93 0.966,94 26.821,95 7.566,96 42.805,97 12.095,98 0.44,99 0.805,100 19.335,101 5.824,102 35.521,103 8.696,104 35,105 39,106 0.291,107 0.637,108 0.737,109 0.772,110 0.783,111 0.814,112 3.304,113 0.832,114 -2.41,115 -2.44,116 -2.39,119 37,124 3,125 1,139 3,140 2,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 2,169 2,170 6,172 3,173 3,175 4,178 2,180 1,181 2,182 5,187 2,191 1,192 2,193 4,195 3,196 6,197 1,198 3,200 2,201 2,204 2,205 1,210 1,212 1,215 2,218 1,221 4,224 2,225 1,226 1,228 1,229 2,231 1,234 3,245 2,246 7,250 1,251 2,253 1,256 2,259 1,260 1,273 920,274 17.643,275 17.643,276 17.643,277 17.643,278 17.643,279 15.582,280 26.188,281 10.181,282 18.445,283 13.619,284 13.619,285 13.619,286 13.619,287 13.619,288 10.281,289 38.087,290 4.557,291 14.634,292 3.83,293 1.814,294 1.235,295 1.028,296 0.968,297 0.788,298 3.985,300 1,301 1,302 1,303 602,304 3.082,307 229.767,311 120.969,314 1.538,315 26.269,318 1,319 0.83,320 1,321 0.8,323 1,324 1,325 0.8,326 58,327 286,328 4.541,329 3.373,330 6.523,331 4.04,332 3.081,333 4.491,334 0.86,335 10.257,336 2.958,337 4.42,338 3.131,339 6.502,340 4.003,341 3.058,342 4.104,343 0.86,344 10.174,345 2.88,346 3.785,347 2.717,348 5.381,349 3.412,350 2.452,351 3.238,352 0.86,353 7.048,354 2.353,355 3.555,356 2.555,357 5.218,358 3.165,359 2.22,360 2.879,361 0.657,362 6.571,363 2.094,364 3.427,365 2.406,366 5.19,367 2.972,368 2.061,369 2.811,371 6.118,372 1.888,373 3.356,374 2.172,375 5.062,376 2.964,377 2.031,378 2.678,380 5.801,381 1.867,382 3.355,383 2.04,384 4.965,385 2.876,386 1.947,387 2.604,389 5.738,390 1.801,391 2.454,392 1.943,393 3.811,394 2.005,395 1.173,396 1.435,398 2.565,399 0.973,400 2.236,401 1.098,402 3.71,403 1.944,404 1.008,405 1.222,407 2.532,408 0.94,409 1.886,410 1.056,411 3.227,412 1.638,413 0.717,414 0.811,415 1.598,416 0.657,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.43,426 0.885,427 2.744,428 1.159,429 0.315,430 0.339,431 0.416,432 0.264,433 1.33,434 0.249,435 2.58,436 0.94,437 0.021,438 0.027,439 0.049,440 0.019,441 0.976,442 0.048,443 2.492,444 0.522,445 -0.392,446 -0.471,448 -0.767,449 -0.354,450 0.834,451 -0.294,452 2.439,453 0.455,454 -0.461,455 -0.583,457 -1.154,458 -0.419,459 11.9,460 0.458,461 0.622,462 0.024,463 37,464 1.423,465 19,466 0.731,467 18,468 0.692,469 18.09,470 0.696,471 28.9,472 0.628,473 28.194,474 1.084,475 7.713,476 0.297,477 4.837,478 0.186,479 0.193,481 0.378,485 1.051,486 1.458,487 0.791,488 1.187,489 1.184,490 0.953,491 1.296,492 0.806,493 0.779,494 0.703,495 0.851,496 0.655,497 0.932,498 1.444,499 0.903,500 1.196,501 0.865,502 1.056,503 0.758,504 1.074,505 0.997,506 1.244,507 0.707,508 1.189,509 1.43,510 1.052,511 1.266,512 1.057,513 1.247,514 1.133,515 1.203,516 0.939,517 1.382,518 1.158,519 1.233,520 1.296,521 0.633,522 0.754,523 0.707,524 0.781,525 0.576,526 0.757,527 0.768,528 0.863,529 0.688,530 0.843,531 0.632,532 0.775,533 6,534 0.206,535 2.889,536 2.063,537 2.182,538 0.653,539 0.384,540 0.373,541 0.188,542 0.278,543 7796,544 24078,545 2.014,546 43.5,548 14,550 1,551 5,555 1.688,556 1.857,557 3.402,558 2.634,559 1,560 1,564 77.894,565 1.693,566 3.71,567 4.289,568 4.496,569 4.556,570 4.735,571 2.844,572 4.162,573 4.676,574 3.56,575 1157.13,576 8.087,577 14653.3,579 1,582 254.084,583 1.502,584 4.615,585 0.214,586 0.01,587 0.074,588 0.048,589 0.056,590 0.021,591 0.017,592 0.016,593 0.008,594 0.012,595 0.476,596 0.17,597 1,598 0.998,599 127.934,600 -0.157,601 -0.197,602 0.031,603 -0.095,604 -0.248,605 0.008,606 -0.109,607 0.275,608 0.168,609 0.315,610 0.088,611 0.293,612 0.041,613 -0.26,614 -0.036,615 -0.141,616 -0.024,617 -0.102,618 0.186,619 0.014,620 -0.08,621 -0.227,622 0.196,623 -0.222,624 -0.278,625 -0.101,626 -0.277,627 -0.066,628 -0.258,629 -0.164,630 -0.228,631 0.033,632 -0.412,633 -0.177,634 -0.336,635 -0.319,636 0.072,637 0.053,638 0.328,639 0.203,640 0.164,641 0.313,642 0.148,643 0.022,644 0.321,645 0.166,646 0.267,647 0.26,648 1.564,649 1.902,650 0.615,651 22.059,652 1.017,653 1.142,654 1.177,655 1.386,656 0.646,657 3.367,658 3.689,659 3.97,660 4.234,661 4.443,662 4.431,663 4.466,664 4.511,665 4.615,666 4.654,667 6.467,668 0.63,669 356.43,670 3.367,671 4.905,672 5.759,673 6.642,674 7.512,675 8.396,676 9.27,677 10.154,678 11.029,679 11.913,680 13,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 3,718 46,719 17,720 1,721 28,723 48,724 17,725 13,726 4,727 2,729 3,730 4,741 13,742 4,753 1,754 1,757 20,758 9,759 5,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 1,817 1,818 3,829 6.5,834 3,836 14,837 9.1,838 5.944,839 2.254,840 3.363,841 1.464,842 0.971,843 5.489,844 10.618,845 3.624,846 4.277,847 4.903,848 5.509,849 6.08,850 6.317,851 6.599,852 6.901,853 7.304,854 7.402,855 1,856 43,857 9.491,859 3.885,860 7.827,861 17.706,863 13.668,865 2.327,866 60.5,870 176.567,871 102.419,872 134.162,874 33,877 102.419,878 209.566,879 134.162,880 32.649,881 2.106,882 94.223,883 80.138,884 68.008,885 4.227,886 164.795,888 176.567,889 236.581,890 33,893 178.282,894 33,897 13.052,898 153.446,899 68.367,901 176.567,902 167.161,903 102.419,906 176.567,907 32.294,908 70.125,909 18.011,910 149.151,911 176.567,912 167.161,913 102.419,915 0.574,916 0.355,917 0.202,918 0.109,919 18,920 9,921 0.125,922 6,923 1,924 1.125,925 3.713,926 213.724,927 0.125,928 16,929 114.211,933 18.29,934 7.803,935 3.865,936 1.12,937 167.161,938 7.239,939 12.321,943 3.793,945 83.805,946 446.147,947 36.5,956 46.778,957 52.524,958 0.307,959 0.672,960 0.776,961 0.814,962 0.825,963 0.857,964 4.854,965 1.173,966 5.753,967 5.738,968 4.369,969 4.963,970 1.841,971 6.575,972 4.24,973 6.083,974 1.008,975 7.322,976 2.565,977 4.007,978 4.913,980 7.496,981 3.848,982 7.411,983 0.717,984 8.986,985 2.532,986 5.979,987 7.259,988 1.538,989 10.577,990 5.753,991 8.776,992 0.396,993 10.705,994 1.598,995 6.399,996 7.989,998 12.288,999 6.133,1000 10.169,1001 0.315,1002 12.458,1003 0.603,1004 7.854,1005 9.84,1006 1.278,1007 14.899,1008 7.54,1009 11.582,1010 0.021,1011 14.235,1012 0.416,1013 8.643,1014 10.948,1016 16.957,1017 8.281,1018 13.011,1019 -0.392,1020 16.03,1021 0.049,1022 9.893,1023 12.594,1024 1.053,1025 19.398,1026 9.49,1027 3.081,1028 -0.461,1029 17.839,1030 -0.767,1031 10.861,1032 13.894,1034 21.609,1035 10.407,1036 3.058,1037 10.257,1038 19.66,1039 -1.154,1040 12.03,1041 15.449,1042 0.858,1043 23.981,1044 11.533,1045 2.452,1046 10.174,1047 21.491,1048 4.491,1049 13.081,1050 16.844,1052 26.257,1053 12.533,1054 2.22,1055 7.048,1056 23.329,1057 4.104,1058 14.218,1059 18.358,1060 0.691,1061 28.602,1062 13.626,1063 2.061,1064 6.571,1065 25.174,1066 3.238,1067 15.307,1068 19.8,1070 30.905,1071 14.664,1072 2.031,1073 6.118,1074 27.024,1075 2.879,1076 16.432,1077 21.298,1078 0.549,1079 33.239,1080 15.744,1081 1.947,1082 5.801,1083 28.879,1084 2.811,1085 17.539,1086 22.763,1088 35.554,1089 16.801,1090 7690,1091 13637,1092 18.205,1093 29.728,1094 40.809,1095 42.206,1096 43.609,1097 40.815,1098 40.963,1099 54.182,1100 6.475,1101 118.942,1102 38.074,1103 5.372,1104 5.373,1105 6.066,1106 5.115,1107 5.081,1108 7.491,1109 1.72,1110 17.178,1111 4.958,1112 14.929,1113 1.457,1114 1.507,1115 1.557,1116 1.458,1117 1.463,1118 1.935,1119 0.231,1120 4.248,1121 1.36,1122 4.058,1123 4.1,1124 4.032,1125 3.935,1126 5.324,1127 3.953,1128 3.927,1129 3.941,1130 3.893,1131 3.816,1132 4.984,1133 3.832,1134 3.541,1135 3.606,1136 3.47,1137 3.348,1138 4.978,1139 3.371,1140 3.303,1141 3.355,1142 3.166,1143 3.016,1144 4.811,1145 3.042,1146 3.284,1147 3.353,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.204,1153 3.284,1154 3.003,1155 2.896,1156 4.472,1157 2.897,1158 3.11,1159 3.225,1160 2.98,1161 2.822,1162 4.338,1163 2.852,1164 3.046,1165 3.147,1166 2.86,1167 2.781,1168 4.148,1169 2.794,1170 0.162,1171 0.12,1172 0.233,1173 0.144,1174 0.11,1175 4.541,1176 0.16,1177 3.373,1178 0.031,1179 6.523,1180 0.366,1181 4.04,1182 0.106,1183 3.081,1184 4.491,1185 0.86,1186 10.257,1187 2.958,1188 1.978,1189 1.945,1190 2.04,1191 2.123,1192 1.169,1193 2.099,1194 1.864,1195 1.851,1196 1.936,1197 2.002,1198 1.052,1199 1.981,1200 1.468,1201 1.409,1202 1.632,1203 1.705,1204 0.727,1205 1.688,1206 1.227,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.21,1213 1.141,1214 1.57,1215 1.521,1216 0.572,1217 1.534,1218 1.159,1219 1.071,1220 1.524,1221 1.482,1222 0.556,1223 1.496,1224 1.019,1225 0.92,1226 1.303,1227 1.38,1228 0.208,1229 1.365,1230 0.982,1231 0.883,1232 1.249,1233 1.298,1234 0.09,1235 1.307,1236 4.043,1238 5.361,1240 6.889,1242 8.517,1244 10.197,1246 4.707,1250 11.49,1252 0.505,1253 3.295,1254 16.029,1262 28.96,1263 77.894,1264 170.646,1265 197.29,1266 206.8,1267 209.555,1268 217.819,1269 39.038,1270 7.255,1271 130.43,1272 130.43,1273 18,1274 12.447,1275 4.17,1276 3.248,1277 44.513,1278 104,1279 90,1280 0.214,1281 180.995,1282 304.13,1283 433.389,1284 13420,1286 18.681,1287 0.719,1288 0.567,1289 18.681,1290 14.738,1291 12.55,1292 0.448,1293 0.277,1294 7.558,1295 11.761,1296 7.306,1297 6.142,1298 12.55,1299 7.769,1300 10.98,1301 0.282,1302 0.14,1303 10.98,1304 5.449,1305 9.353,1306 0.18,1307 0.073,1308 9.353,1309 3.816,1310 8.033,1311 0.118,1312 0.038,1313 8.033,1314 2.579,1315 6.45,1316 0.077,1317 0.021,1318 6.45,1319 1.744,1320 0.339,1321 80.946,1322 0.234,1323 25.137,1324 0.579,1325 134,1326 455.099,1327 152.516,1328 429.878,1329 588.53,1330 404,1331 158,1332 434.115,1333 177.015,1334 442.053,1335 642.11,1336 409,1337 5.721}
{0 CHEMBL23297,1 1.617,2 12.385,3 2.934,4 8.606,5 102.224,6 8.079,7 0.759,8 3.899,9 4.015,10 3.531,11 3.42,12 5.115,13 3.437,14 4.349,15 4.486,16 3.883,17 3.777,18 5.571,19 3.775,20 4.549,21 4.729,22 3.864,23 3.826,24 5.646,25 3.806,26 4.559,27 4.754,28 3.771,29 3.769,30 5.707,31 3.718,32 4.521,33 4.748,34 3.556,35 3.736,36 5.568,37 3.647,38 4.428,39 4.666,40 3.484,41 3.686,42 5.373,43 3.584,44 4.324,45 4.546,46 3.433,47 3.537,48 5.353,49 3.46,50 4.197,51 4.44,52 3.276,53 3.329,54 5.24,55 3.272,56 0.089,57 0.667,58 7.742,59 3.362,60 12.07,61 3.981,62 0.246,63 1.006,64 13.24,65 5.822,66 23.176,67 7.067,68 0.28,69 1.151,70 18.409,71 6.699,72 26.022,73 8.388,74 0.505,75 1.124,76 19.667,77 7.034,78 43.481,79 9.106,80 0.474,81 1.087,82 19.92,83 6.791,84 43.251,85 8.906,86 0.216,87 0.973,88 18.164,89 7.034,90 25.758,91 9.72,92 0.244,93 0.872,94 16.234,95 6.06,96 26.417,97 8.09,98 0.254,99 0.783,100 14.75,101 4.467,102 26.789,103 6.156,104 5,105 40,106 0.277,107 0.606,108 0.71,109 0.808,110 0.843,111 0.843,112 3.303,113 0.833,114 -4.21,115 -4.16,116 -3.93,119 44.2,125 1,139 9,140 2,141 3,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 7,169 2,170 8,172 3,173 3,175 4,178 6,180 1,182 6,187 4,189 4,191 1,192 1,193 1,195 3,196 4,197 1,198 1,200 2,201 6,204 1,205 1,210 3,211 1,212 1,214 1,215 12,218 1,221 2,229 8,234 7,238 1,239 4,240 1,241 2,243 2,246 5,251 4,256 2,259 1,265 3,268 2,270 2,273 976,274 17.809,275 17.809,276 17.809,277 17.809,278 17.809,279 15.107,280 22.507,281 10.624,282 18.167,283 14.354,284 14.354,285 14.354,286 14.354,287 14.354,288 10.375,289 33.405,290 5.105,291 14.972,292 3.809,293 1.892,294 1.286,295 0.715,296 0.512,297 0.512,298 4.005,300 1,301 1,302 1,303 710,304 2.646,306 60.161,307 250.262,310 112.292,314 1.97,315 21.073,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 56.5,327 322,328 4.638,329 3.27,330 6.78,331 4.165,332 3.188,333 4.608,334 0.86,335 11.107,336 3.116,337 4.088,338 3.07,339 5.618,340 3.672,341 2.726,342 3.677,343 0.657,344 7.79,345 2.583,346 3.861,347 2.685,348 5.369,349 3.439,350 2.483,351 3.41,353 7.012,354 2.37,355 3.706,356 2.47,357 5.268,358 3.26,359 2.323,360 3.154,362 6.634,363 2.174,364 3.435,365 2.252,366 5.063,367 3.03,368 2.074,369 2.792,371 5.866,372 1.971,373 3.402,374 2.066,375 4.955,376 2.923,377 1.98,378 2.731,380 5.788,381 1.865,382 3.047,383 1.918,384 4.75,385 2.672,386 1.712,387 2.222,389 4.953,390 1.638,391 2.864,392 1.522,393 3.595,394 2.397,395 1.419,396 2.021,398 3.042,399 1.382,400 2.5,401 1,402 3.588,403 2,404 1,405 1.5,407 2.275,408 1,409 2.5,410 1,411 3.414,412 2,413 1,414 1.5,415 2.136,416 1,417 2.307,418 0.982,419 3.255,420 1.846,421 0.871,422 1.226,423 2.129,424 0.847,425 1.878,426 0.82,427 3.247,428 1.598,429 0.657,430 0.779,431 1.624,432 0.616,433 1.359,434 0.404,435 2.814,436 1.019,437 0.096,438 0.117,439 0.243,440 0.088,441 1.103,442 -0.036,443 2.678,444 0.683,445 -0.245,446 -0.311,448 -0.648,449 -0.226,450 0.907,451 -0.268,452 2.435,453 0.492,454 -0.442,455 -0.563,457 -1.112,458 -0.41,459 12.167,460 0.468,461 0.571,462 0.022,463 39.5,464 1.519,465 22,466 0.846,467 17.5,468 0.673,469 15.664,470 0.602,471 26.833,472 0.624,473 27.471,474 1.057,475 8.034,476 0.309,477 4.653,478 0.179,479 0.066,481 0.329,485 1.055,486 1.135,487 0.756,488 0.919,489 1.231,490 0.791,491 0.845,492 0.996,493 0.787,494 1.055,495 0.567,496 0.946,497 1.296,498 1.209,499 1.016,500 1.095,501 1.035,502 1.02,503 1.033,504 1.039,505 1.071,506 1.083,507 0.81,508 1.103,509 1.105,510 0.691,511 1.224,512 0.88,513 1.299,514 1.039,515 0.647,516 0.931,517 0.918,518 1.029,519 0.741,520 1.025,521 0.947,522 1.063,523 0.972,524 1.082,525 0.828,526 1.055,527 1.194,528 1.039,529 1.066,530 0.926,531 1.153,532 0.945,533 5,534 0.07,535 2.222,536 1.66,537 1.303,538 0.441,539 0.453,540 0.292,541 0.145,542 0.168,543 9438,544 26468,545 2.148,546 39.5,548 11,549 1,551 5,555 1.683,556 2.053,557 3.555,558 2.558,559 1,560 1,564 69.522,565 1.617,566 3.534,567 4.141,568 4.711,569 4.915,570 4.915,571 3.061,572 4.027,573 4.673,574 3.742,575 1216.27,576 8.052,577 15862.7,579 1,581 1,582 233.329,583 1.239,584 4.65,585 0.172,586 0.004,587 0.056,588 0.044,589 0.039,590 0.016,591 0.017,592 0.012,593 0.007,594 0.01,595 0.379,596 0.17,597 1,598 0.465,599 130.046,600 -0.159,601 0.007,602 0.02,603 0.045,604 -0.297,605 0.074,606 0.15,607 0.077,608 0.053,609 -0.075,610 0.23,611 -0.045,612 -0.184,613 -0.2,614 -0.08,615 -0.132,616 -0.14,617 -0.092,618 0.141,619 -0.062,620 -0.092,621 -0.117,622 0.2,623 -0.156,624 -0.11,625 0.295,626 -0.233,627 0.084,628 -0.247,629 -0.067,630 0.011,631 -0.017,632 0.061,633 0.006,634 -0.021,635 0.039,636 -0.027,637 -0.145,638 0.024,639 -0.071,640 0.05,641 -0.032,642 -0.186,643 -0.053,644 -0.035,645 0.008,646 -0.127,647 0.023,648 1.571,649 2.281,650 0.808,651 25.775,652 1.011,653 1.126,654 2.985,655 8.91,656 0.686,657 3.401,658 3.714,659 3.97,660 4.248,661 4.419,662 4.431,663 4.5,664 4.605,665 4.625,666 4.682,667 7.163,668 0.667,669 347.41,670 3.401,671 4.934,672 5.778,673 6.65,674 7.507,675 8.385,676 9.249,677 10.13,678 10.998,679 11.881,680 11.6,684 2,685 1,690 2,694 2,695 10,696 2,698 1,700 6,702 22,711 2,712 1,716 1,718 43,719 22,720 2,721 29,723 46,724 19,725 18,726 3,727 9,729 4,730 5,741 18,742 1,753 1,754 1,756 1,757 17,758 7,759 5,760 7,764 5,769 0.75,770 2,776 1,780 1,781 3,784 1,802 3,810 26,811 2,816 1,817 1,818 1,829 4.7,834 2,836 12.667,837 7.483,838 5.667,839 2.297,840 4.084,841 1.543,842 1.039,843 4.539,844 11.606,845 3.714,846 4.36,847 4.965,848 5.58,849 6.076,850 6.278,851 6.604,852 6.996,853 7.148,854 7.4,855 1,856 38,857 9.508,859 4.023,860 7.744,861 17.941,863 14.456,865 2.244,866 58.333,869 1,870 141.253,871 126.768,872 117.376,874 20.507,877 126.768,878 161.76,879 117.376,881 2.106,882 162.82,883 55.989,884 39.509,885 15.998,886 129.482,888 141.253,889 244.144,890 20.507,893 141.253,894 20.507,897 8.412,898 184.15,899 51.582,901 141.253,902 137.883,903 126.768,906 141.253,907 29.742,908 97.026,909 18.011,910 119.873,911 141.253,912 137.883,913 126.768,915 0.579,916 0.332,917 0.186,918 0.098,919 20,920 8,921 0.109,922 5,923 1,924 1.095,925 3.987,926 213.4,927 0.095,928 21,929 114.211,933 16.541,934 7.135,935 3.703,936 1.064,937 137.883,938 18.942,939 8.021,941 5.414,943 3.774,945 83.805,946 405.905,947 40,956 43.465,957 48.402,958 0.298,959 0.651,960 0.763,961 0.868,962 0.906,963 0.906,964 4.924,965 1.419,966 5.746,967 4.953,968 4.394,969 5.047,970 1.207,971 6.526,972 4.312,973 6.138,974 1,975 7.279,976 3.042,977 3.892,978 4.808,980 7.349,981 3.753,982 7.442,983 1,984 8.909,985 2.275,986 5.953,987 7.3,988 0.903,989 10.457,990 5.794,991 8.783,992 0.871,993 10.599,994 2.136,995 6.275,996 7.919,998 12.18,999 6.074,1000 10.157,1001 0.657,1002 12.331,1003 2.129,1004 7.789,1005 9.855,1006 0.678,1007 14.809,1008 7.571,1009 11.554,1010 0.096,1011 14.094,1012 1.624,1013 8.52,1014 10.915,1016 16.937,1017 8.274,1018 12.972,1019 -0.245,1020 15.883,1021 0.243,1022 9.805,1023 12.611,1024 0.512,1025 19.413,1026 9.542,1027 3.188,1028 -0.442,1029 17.692,1030 -0.648,1031 10.746,1032 13.905,1034 21.712,1035 10.463,1036 2.726,1037 11.107,1038 19.52,1039 -1.112,1040 11.936,1041 15.495,1042 0.387,1043 24.139,1044 11.637,1045 2.483,1046 7.79,1047 21.362,1048 4.608,1049 12.983,1050 16.909,1052 26.505,1053 12.666,1054 2.323,1055 7.012,1056 23.217,1057 3.677,1058 14.139,1059 18.456,1060 0.293,1061 28.918,1062 13.806,1063 2.074,1064 6.634,1065 25.083,1066 3.41,1067 15.238,1068 19.928,1070 31.31,1071 14.888,1072 1.98,1073 5.866,1074 26.958,1075 3.154,1076 16.385,1077 21.459,1078 0.221,1079 33.718,1080 16.018,1081 1.712,1082 5.788,1083 28.84,1084 2.792,1085 17.51,1086 22.959,1088 36.119,1089 17.125,1090 8790,1091 14882,1092 19.879,1093 29.506,1094 43.35,1095 43.336,1096 43.712,1097 43.117,1098 43.055,1099 59.475,1100 3.035,1101 121.201,1102 41.297,1103 5.479,1104 5.27,1105 6.582,1106 5.236,1107 5.188,1108 7.608,1109 1.72,1110 17.998,1111 5.116,1112 9.455,1113 1.495,1114 1.494,1115 1.507,1116 1.487,1117 1.485,1118 2.051,1119 0.105,1120 4.179,1121 1.424,1122 4.09,1123 4.113,1124 4.069,1125 3.943,1126 5.363,1127 3.969,1128 3.941,1129 3.962,1130 3.888,1131 3.848,1132 4.985,1133 3.855,1134 3.821,1135 3.856,1136 3.75,1137 3.757,1138 4.952,1139 3.752,1140 3.447,1141 3.52,1142 3.374,1143 3.215,1144 4.935,1145 3.246,1146 3.184,1147 3.244,1148 3.095,1149 2.913,1150 4.691,1151 2.95,1152 3.077,1153 3.197,1154 2.958,1155 2.735,1156 4.269,1157 2.781,1158 2.92,1159 2.958,1160 2.798,1161 2.735,1162 4.137,1163 2.728,1164 2.854,1165 2.925,1166 2.687,1167 2.735,1168 3.928,1169 2.715,1170 0.16,1171 0.113,1172 0.234,1173 0.144,1174 0.11,1175 4.638,1176 0.159,1177 3.27,1178 0.03,1179 6.78,1180 0.383,1181 4.165,1182 0.107,1183 3.188,1184 4.608,1185 0.86,1186 11.107,1187 3.116,1188 1.917,1189 1.894,1190 2.024,1191 2.033,1192 1.124,1193 2.029,1194 1.847,1195 1.815,1196 1.965,1197 1.991,1198 1.047,1199 1.966,1200 1.799,1201 1.768,1202 1.858,1203 1.921,1204 0.994,1205 1.922,1206 1.472,1207 1.436,1208 1.622,1209 1.701,1210 0.63,1211 1.684,1212 1.045,1213 0.999,1214 1.276,1215 1.385,1216 0.227,1217 1.358,1218 0.957,1219 0.882,1220 1.216,1221 1.356,1222 0.218,1223 1.319,1224 0.886,1225 0.821,1226 1.181,1227 1.165,1228 0.218,1229 1.152,1230 0.886,1231 0.821,1232 1.181,1233 1.062,1234 0.151,1235 1.107,1236 4.078,1238 5.389,1239 2.398,1240 6.891,1241 4.727,1242 8.48,1243 6.843,1244 10.117,1250 11.508,1252 0.517,1253 3.314,1254 5.781,1262 28.697,1263 69.522,1264 151.971,1265 178.045,1266 202.574,1267 211.329,1268 211.329,1269 31.973,1270 7.522,1271 112.22,1272 112.22,1273 23,1274 12.418,1275 4.524,1276 3.585,1277 38.425,1278 114,1279 104,1280 0.165,1281 176.141,1282 290.4,1283 421.545,1284 20792,1286 17.933,1287 0.69,1288 0.533,1289 17.933,1290 13.846,1291 12.687,1292 0.437,1293 0.278,1294 7.92,1295 12.17,1296 7.791,1297 6.469,1298 12.687,1299 8.048,1300 11.433,1301 0.286,1302 0.143,1303 11.433,1304 5.701,1305 9.437,1306 0.181,1307 0.074,1308 9.437,1309 3.871,1310 8.244,1311 0.119,1312 0.038,1313 8.244,1314 2.64,1315 6.344,1316 0.077,1317 0.02,1318 6.344,1319 1.658,1320 0.267,1321 79.693,1322 0.224,1323 25.695,1324 0.428,1325 138,1326 413.719,1327 153.965,1328 402.563,1329 563.06,1330 378,1331 161,1332 434.65,1333 176.467,1334 437.142,1335 637.83,1336 412,1337 4.79}
{0 CHEMBL23338,1 1.572,2 8.727,3 2.514,4 6.32,5 90.406,6 7.152,7 0.522,8 3.822,9 3.954,10 3.335,11 3.281,12 5.006,13 3.274,14 4.294,15 4.481,16 3.633,17 3.608,18 5.405,19 3.58,20 4.398,21 4.56,22 3.748,23 3.758,24 5.51,25 3.72,26 4.581,27 4.785,28 3.723,29 3.827,30 5.654,31 3.758,32 4.661,33 4.87,34 3.618,35 3.845,36 5.657,37 3.747,38 4.66,39 4.907,40 3.496,41 3.777,42 5.585,43 3.65,44 4.608,45 4.887,46 3.425,47 3.631,48 5.536,49 3.492,50 4.437,51 4.723,52 3.253,53 3.418,54 5.431,55 3.289,56 0.049,57 0.607,58 9.182,59 3.48,60 11.487,61 4.815,62 0.282,63 0.868,64 16.289,65 5.838,66 27.218,67 7.847,68 0.214,69 1.01,70 17.221,71 6.294,72 20.102,73 8.859,74 0.254,75 1.113,76 21.68,77 7.613,78 34.555,79 10.713,80 0.338,81 1.134,82 24.14,83 8.189,84 38.265,85 11.487,86 0.291,87 1.101,88 24.54,89 8.063,90 35.346,91 11.908,92 0.377,93 0.975,94 24.114,95 7.703,96 39.052,97 11.747,98 0.376,99 0.827,100 20.509,101 5.809,102 39.408,103 9.269,104 36,105 31,106 0.279,107 0.653,108 0.802,109 0.836,110 0.845,111 0.87,112 3.147,113 0.891,114 -3.68,115 -3.64,116 -3.47,119 38.1,120 1,121 1,124 2,134 2,139 2,140 3,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 4,172 3,173 3,175 1,178 8,180 1,181 1,182 7,187 1,189 7,191 1,193 7,195 1,196 1,197 1,198 2,200 2,201 5,204 2,205 1,207 8,212 3,215 4,218 3,221 4,226 2,229 3,231 2,233 2,234 2,236 1,237 1,239 3,241 1,243 3,245 2,246 2,248 1,249 1,251 2,256 2,260 2,262 1,263 1,265 2,270 2,273 636,274 14.834,275 14.834,276 14.834,277 14.834,278 14.834,279 12.935,280 20.214,281 8.78,282 15.351,283 11.18,284 11.18,285 11.18,286 11.18,287 11.18,288 8.43,289 25.456,290 3.894,291 11.826,292 3.82,293 1.706,294 0.863,295 0.673,296 0.625,297 0.482,298 3.805,300 1,301 1,302 1,303 388,304 2.915,307 152.68,314 1.231,315 18.472,316 1,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 48,327 192,328 4.44,329 3.327,330 6.527,331 4.041,332 3.075,333 4.132,334 0.86,335 10.288,336 2.973,337 4.229,338 3.071,339 6.088,340 3.812,341 2.856,342 3.877,343 0.86,344 8.842,345 2.734,346 3.604,347 2.537,348 5.281,349 3.234,350 2.279,351 2.941,352 0.68,353 6.715,354 2.178,355 3.449,356 2.376,357 5.206,358 3.047,359 2.089,360 2.725,362 6.217,363 1.99,364 3.362,365 2.178,366 4.921,367 2.939,368 1.999,369 2.661,371 5.65,372 1.868,373 2.823,374 1.834,375 4.147,376 2.353,377 1.423,378 1.952,380 3.673,381 1.321,382 2.74,383 1.55,384 3.825,385 2.208,386 1.278,387 1.672,389 2.661,390 1.183,391 2.069,392 1.296,393 3.121,394 1.782,395 0.863,396 1,398 1.5,399 0.784,400 1.611,401 0.977,402 2.959,403 1.322,404 0.415,405 0.474,407 0.84,408 0.37,409 1.464,410 0.626,411 2.668,412 1.179,413 0.294,414 0.335,415 0.452,416 0.26,417 1,418 0.226,419 2.391,420 0.739,421 -0.208,422 -0.236,423 -0.34,424 -0.194,425 0.87,426 -0.124,427 2.359,428 0.586,429 -0.381,430 -0.458,431 -0.796,432 -0.369,433 0.795,434 -0.313,435 2.304,436 0.392,437 -0.515,438 -0.621,439 -1.242,440 -0.466,441 0.53,442 -0.318,443 1.926,444 0.186,445 -0.74,446 -0.878,448 -1.719,449 -0.673,450 0.402,451 -0.698,452 1.65,453 0.03,454 -0.949,455 -1.263,457 -2.129,458 -0.922,459 10.267,460 0.467,461 0.503,462 0.023,463 29.5,464 1.341,465 15.5,466 0.705,467 14,468 0.636,469 15.859,470 0.721,471 24.533,472 0.584,473 21.571,474 0.981,475 6.224,476 0.283,477 4.359,478 0.198,479 0.224,481 0.341,485 1.026,486 1.321,487 0.872,488 1.15,489 1.226,490 0.996,491 1.153,492 0.753,493 0.796,494 0.787,495 0.754,496 0.759,497 0.898,498 1.272,499 0.952,500 1.189,501 0.843,502 1.09,503 1.046,504 1.039,505 1.047,506 1.147,507 0.925,508 1.105,509 1.391,510 1.1,511 1.232,512 1.155,513 1.141,514 1.183,515 1.035,516 1.084,517 1.105,518 1.138,519 1.01,520 1.14,521 0.652,522 1.008,523 0.799,524 0.999,525 0.541,526 0.95,527 0.751,528 0.999,529 0.861,530 0.933,531 0.823,532 0.921,533 5,534 0.058,535 2.444,536 1.813,537 1.538,538 0.674,539 0.588,540 0.326,541 0.214,542 0.142,543 4239,544 12184,545 1.944,546 47.6,547 5,548 10,550 1,551 4,555 1.649,556 1.784,557 3.114,558 1.87,559 1,560 1,562 1,564 66.039,565 1.572,566 3.686,567 4.529,568 4.719,569 4.767,570 4.91,571 2.504,572 4.096,573 4.43,574 3.241,575 748.718,576 7.635,577 8222.55,578 1,579 1,581 1,582 226.477,583 1.529,584 4.365,585 0.217,586 0.012,587 0.079,588 0.053,589 0.048,590 0.024,591 0.024,592 0.015,593 0.012,594 0.012,595 0.496,596 0.17,597 1,598 1.283,599 100.406,600 -0.107,601 -0.068,602 0.022,603 -0.038,604 -0.23,605 0.016,606 0.021,607 0.325,608 0.171,609 0.26,610 0.148,611 0.231,612 0.056,613 -0.116,614 -0.036,615 -0.105,616 -0.018,617 -0.082,618 -0.065,619 0.026,620 -0.103,621 -0.111,622 0.008,623 -0.111,624 -0.244,625 -0.108,626 -0.266,627 -0.124,628 -0.225,629 -0.194,630 -0.121,631 -0.132,632 -0.144,633 -0.136,634 -0.152,635 -0.144,636 0.224,637 -0.146,638 0.185,639 -0.02,640 0.273,641 0.054,642 0.197,643 -0.111,644 0.142,645 -0.007,646 0.179,647 0.044,648 1.497,649 1.922,650 0.545,651 16.992,652 1.003,653 1.137,654 2.446,655 5.983,656 0.643,657 3.178,658 3.466,659 3.714,660 3.951,661 4.127,662 4.111,663 4.127,664 4.174,665 4.174,666 4.06,667 5.294,668 0.613,669 300.4,670 3.178,671 4.691,672 5.525,673 6.395,674 7.251,675 8.125,676 8.988,677 9.863,678 10.729,679 11.605,680 9.5,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 2,718 42,719 13,720 1,721 23,723 43,724 16,725 10,726 4,727 2,728 2,729 2,730 2,734 1,739 1,741 12,742 4,744 1,749 2,753 1,754 1,757 20,758 6,759 4,760 6,764 4,769 1,770 2,776 1,781 2,795 2,802 2,806 3,810 22,811 2,816 1,818 2,829 4.8,834 2,836 12.333,837 8.317,838 5.167,839 2.182,840 2.401,841 1.372,842 0.947,843 5.36,844 8.856,845 3.434,846 4.025,847 4.58,848 5.13,849 5.645,850 5.788,851 6.018,852 6.348,853 6.639,854 6.896,855 0.833,856 34,857 8.032,859 3.191,860 7.78,861 15.119,863 11.46,865 2.28,866 50.167,869 1,870 188.338,871 104.349,872 99.365,874 22,877 104.349,878 210.337,879 99.365,880 30.591,881 2.535,882 103.699,883 45.342,884 51.091,885 4.227,886 176.567,888 188.338,889 203.714,890 22,893 188.338,894 22,897 22.306,898 128.884,899 52.524,901 188.338,902 121.365,903 104.349,906 188.338,907 26.805,908 77.544,910 121.365,911 188.338,912 121.365,913 104.349,915 0.562,916 0.343,917 0.195,918 0.106,919 13,920 7,921 0.116,922 5,924 1,925 3.277,926 164.358,928 12,929 98.107,933 16.27,934 7.248,935 3.768,937 121.365,938 5.586,939 7.967,943 4.694,945 65.794,946 414.052,947 30,952 3.912,956 42.131,957 47.734,958 0.292,959 0.684,960 0.84,961 0.875,962 0.884,963 0.911,964 4.644,965 0.863,966 5.509,967 2.661,968 4.143,969 4.71,970 1.586,971 6.312,972 4.044,973 5.859,974 0.415,975 7.067,976 1.5,977 3.761,978 4.559,980 7.209,981 3.633,982 7.17,983 0.294,984 8.723,985 0.84,986 5.727,987 6.914,988 1.285,989 10.28,990 5.556,991 8.516,992 -0.208,993 10.434,994 0.452,995 6.133,996 7.536,998 11.964,999 5.924,1000 9.89,1001 -0.381,1002 12.18,1003 -0.34,1004 7.583,1005 9.385,1006 1.035,1007 14.559,1008 7.346,1009 11.284,1010 -0.515,1011 13.949,1012 -0.796,1013 8.36,1014 10.377,1016 16.588,1017 8.08,1018 12.694,1019 -0.74,1020 15.736,1021 -1.242,1022 9.601,1023 12.005,1024 0.828,1025 19.011,1026 9.296,1027 3.075,1028 -0.949,1029 17.536,1030 -1.719,1031 10.553,1032 13.189,1034 21.196,1035 10.208,1036 2.856,1037 10.288,1038 19.347,1039 -2.129,1040 11.71,1041 14.708,1042 0.656,1043 23.553,1044 11.337,1045 2.279,1046 8.842,1047 21.167,1048 4.132,1049 12.745,1050 15.993,1052 25.809,1053 12.332,1054 2.089,1055 6.715,1056 22.994,1057 3.877,1058 13.868,1059 17.457,1060 0.515,1061 28.141,1062 13.426,1063 1.999,1064 6.217,1065 24.826,1066 2.941,1067 14.941,1068 18.797,1070 30.431,1071 14.462,1072 1.423,1073 5.65,1074 26.664,1075 2.725,1076 16.052,1077 20.232,1078 0.401,1079 32.755,1080 15.543,1081 1.278,1082 3.673,1083 28.507,1084 2.661,1085 17.144,1086 21.601,1088 35.062,1089 16.598,1090 4411,1091 7577,1092 14.622,1093 27.023,1094 33.495,1095 34.083,1096 35.631,1097 33.053,1098 33.141,1099 43.536,1100 4.8,1101 93.676,1102 31.321,1103 5.21,1104 5.327,1105 6.291,1106 5.11,1107 5.075,1108 7.132,1109 1.72,1110 17.221,1111 4.973,1112 13.115,1113 1.456,1114 1.482,1115 1.549,1116 1.437,1117 1.441,1118 1.893,1119 0.209,1120 4.073,1121 1.362,1122 4.004,1123 4.029,1124 3.96,1125 3.927,1126 5.291,1127 3.931,1128 3.825,1129 3.87,1130 3.79,1131 3.669,1132 4.98,1133 3.692,1134 3.512,1135 3.57,1136 3.374,1137 3.391,1138 4.925,1139 3.38,1140 3.318,1141 3.377,1142 3.191,1143 3.074,1144 4.508,1145 3.096,1146 3.236,1147 3.307,1148 3.028,1149 2.938,1150 4.463,1151 2.943,1152 3.11,1153 3.218,1154 2.951,1155 2.851,1156 4.402,1157 2.856,1158 2.968,1159 3.087,1160 2.788,1161 2.69,1162 4.196,1163 2.688,1164 2.838,1165 2.935,1166 2.635,1167 2.618,1168 3.746,1169 2.623,1170 0.193,1171 0.145,1172 0.284,1173 0.176,1174 0.134,1175 4.44,1176 0.18,1177 3.327,1178 0.037,1179 6.527,1180 0.447,1181 4.041,1182 0.129,1183 3.075,1184 4.132,1185 0.86,1186 10.288,1187 2.973,1188 1.957,1189 1.939,1190 2.046,1191 2.057,1192 1.233,1193 2.052,1194 1.753,1195 1.711,1196 1.862,1197 1.936,1198 0.949,1199 1.912,1200 1.519,1201 1.464,1202 1.746,1203 1.692,1204 0.779,1205 1.72,1206 1.247,1207 1.187,1208 1.575,1209 1.539,1210 0.574,1211 1.549,1212 1.185,1213 1.106,1214 1.568,1215 1.516,1216 0.572,1217 1.534,1218 1.064,1219 0.972,1220 1.357,1221 1.381,1222 0.391,1223 1.38,1224 0.904,1225 0.802,1226 1.237,1227 1.256,1228 0.245,1229 1.271,1230 0.841,1231 0.738,1232 1.175,1233 1.097,1235 1.132,1236 3.85,1238 5.142,1240 6.642,1242 8.246,1244 9.9,1246 5.183,1250 11.412,1252 0.58,1254 10.832,1262 25.73,1263 66.039,1264 154.814,1265 190.213,1266 198.213,1267 200.213,1268 206.213,1269 35.122,1270 6.455,1271 96.28,1272 96.28,1273 12,1274 12.146,1275 3.807,1276 3,1277 42.025,1278 69,1279 70,1280 0.305,1281 164.139,1282 281.94,1283 392.259,1284 4346,1286 16.113,1287 0.732,1288 0.589,1289 16.113,1290 12.959,1291 10.583,1292 0.46,1293 0.297,1294 6.697,1295 10.075,1296 6.413,1297 5.449,1298 10.583,1299 6.831,1300 9.018,1301 0.291,1302 0.153,1303 9.018,1304 4.736,1305 7.384,1306 0.185,1307 0.081,1308 7.384,1309 3.225,1310 6.225,1311 0.122,1312 0.044,1313 6.225,1314 2.249,1315 4.797,1316 0.079,1317 0.024,1318 4.797,1319 1.482,1320 0.466,1321 67.17,1322 0.262,1323 21.439,1324 0.871,1325 108,1326 337.386,1327 119.807,1328 324.599,1329 442.17,1330 304,1331 125,1332 323.063,1333 136.752,1334 332.342,1335 477.88,1336 307,1337 4.244}
{0 CHEMBL23353,1 1.617,2 10.846,3 2.934,4 8.606,5 102.224,6 8.079,7 0.759,8 3.899,9 4.015,10 3.531,11 3.42,12 5.115,13 3.437,14 4.349,15 4.486,16 3.883,17 3.777,18 5.566,19 3.775,20 4.55,21 4.729,22 3.892,23 3.826,24 5.654,25 3.811,26 4.569,27 4.755,28 3.826,29 3.777,30 5.732,31 3.744,32 4.558,33 4.769,34 3.648,35 3.782,36 5.619,37 3.715,38 4.513,39 4.74,40 3.647,41 3.804,42 5.479,43 3.717,44 4.495,45 4.707,46 3.65,47 3.746,48 5.533,49 3.669,50 4.439,51 4.679,52 3.526,53 3.609,54 5.494,55 3.529,56 0.089,57 0.667,58 7.742,59 3.362,60 12.097,61 3.981,62 0.246,63 1.006,64 13.24,65 5.822,66 23.015,67 7.067,68 0.3,69 1.151,70 18.402,71 6.717,72 25.814,73 8.5,74 0.525,75 1.135,76 19.701,77 6.911,78 44.302,79 8.739,80 0.493,81 1.134,82 20.271,83 6.746,84 44.719,85 8.424,86 0.217,87 1.086,88 19.095,89 7.486,90 25.336,91 10.257,92 0.333,93 1.04,94 18.758,95 7.32,96 29.713,97 9.77,98 0.389,99 0.963,100 19.02,101 6.527,102 36.346,103 9.096,104 5,105 40,106 0.277,107 0.606,108 0.711,109 0.814,110 0.863,111 0.874,112 3.304,113 0.833,114 -4.21,115 -4.16,116 -3.93,119 44.2,125 1,139 9,140 2,141 3,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 8,169 2,170 7,172 3,173 3,175 3,178 6,180 1,182 6,185 1,187 4,189 3,191 1,192 1,193 2,195 3,196 4,197 1,198 2,200 2,201 3,204 1,205 1,207 1,210 2,211 1,212 3,214 1,215 9,218 1,221 2,226 2,229 10,233 1,234 4,238 1,239 2,240 1,241 7,243 1,245 2,246 5,248 1,249 1,251 2,254 5,256 2,260 4,265 2,268 3,270 2,273 976,274 17.861,275 17.861,276 17.861,277 17.861,278 17.861,279 15.132,280 20.738,281 10.705,282 18.209,283 14.359,284 14.359,285 14.359,286 14.359,287 14.359,288 10.358,289 30.818,290 5.12,291 14.962,292 3.809,293 1.892,294 1.277,295 0.677,296 0.39,297 0.326,298 4.005,300 1,301 1,302 1,303 620,304 2.646,306 53.512,307 228.022,310 100.799,314 1.485,315 21.691,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 56.5,327 282,328 4.638,329 3.279,330 6.78,331 4.165,332 3.189,333 4.608,334 0.86,335 11.108,336 3.117,337 4.228,338 3.182,339 6.167,340 3.829,341 2.883,342 3.831,343 0.657,344 9.171,345 2.725,346 3.846,347 2.659,348 5.334,349 3.403,350 2.442,351 3.404,353 6.904,354 2.343,355 3.705,356 2.485,357 5.294,358 3.261,359 2.326,360 3.153,362 6.675,363 2.17,364 3.407,365 2.07,366 5.063,367 2.924,368 1.98,369 2.789,371 5.791,372 1.867,373 3.091,374 2.019,375 4.77,376 2.739,377 1.79,378 2.265,380 5.034,381 1.693,382 2.98,383 1.769,384 4.348,385 2.54,386 1.578,387 2.172,389 4.156,390 1.509,391 2.893,392 1.531,393 3.652,394 2.446,395 1.461,396 2.055,398 3.13,399 1.437,400 2.764,401 1.398,402 3.589,403 2.291,404 1.309,405 1.88,407 2.895,408 1.282,409 2.5,410 1,411 3.552,412 2,413 1,414 1.5,415 2.136,416 1,417 2.305,418 0.917,419 3.247,420 1.837,421 0.858,422 1.221,423 2.113,424 0.839,425 1.865,426 0.771,427 3.196,428 1.566,429 0.617,430 0.748,431 1.487,432 0.583,433 1.358,434 0.389,435 2.801,436 1.019,437 0.095,438 0.116,439 0.239,440 0.087,441 1.104,442 -0.036,443 2.68,444 0.685,445 -0.244,446 -0.31,448 -0.644,449 -0.226,450 0.906,451 -0.269,452 2.443,453 0.491,454 -0.443,455 -0.564,457 -1.125,458 -0.41,459 12.167,460 0.468,461 0.554,462 0.021,463 39.5,464 1.519,465 22,466 0.846,467 17.5,468 0.673,469 16.046,470 0.617,471 26.833,472 0.624,473 28.055,474 1.079,475 8.049,476 0.31,477 4.655,478 0.179,479 0.066,481 0.329,485 1.055,486 1.135,487 0.756,488 0.919,489 1.228,490 0.791,491 0.845,492 0.996,493 0.787,494 1.055,495 0.592,496 0.946,497 1.196,498 1.209,499 0.953,500 1.093,501 0.972,502 0.999,503 1.194,504 1.056,505 1.072,506 1.062,507 0.86,508 1.068,509 1.442,510 0.727,511 1.296,512 0.852,513 1.437,514 1.014,515 0.647,516 0.953,517 0.907,518 1.035,519 0.689,520 1.017,521 0.738,522 1.01,523 0.941,524 1.106,525 0.743,526 1.076,527 0.773,528 0.895,529 0.913,530 0.933,531 0.77,532 0.948,533 4.5,534 0.102,535 2.444,536 1.785,537 1.303,538 0.497,539 0.34,540 0.352,541 0.177,542 0.218,543 8478,544 23764,545 2.148,546 39.5,548 11,549 1,551 5,555 1.69,556 2.053,557 3.398,558 2.558,559 1,560 1,564 69.522,565 1.617,566 3.534,567 4.15,568 4.749,569 5.037,570 5.101,571 2.841,572 4.393,573 4.675,574 3.541,575 1150.95,576 8.097,577 14477.4,579 1,581 1,582 233.329,583 1.239,584 4.65,585 0.155,586 0.005,587 0.061,588 0.046,589 0.037,590 0.017,591 0.011,592 0.012,593 0.007,594 0.01,595 0.361,596 0.17,597 1,598 0.465,599 127.566,600 -0.159,601 0.007,602 0.02,603 0.045,604 -0.294,605 0.074,606 0.15,607 0.077,608 0.053,609 -0.075,610 0.204,611 -0.045,612 -0.083,613 -0.199,614 -0.016,615 -0.13,616 -0.077,617 -0.071,618 0.101,619 -0.071,620 -0.091,621 -0.107,622 0.186,623 -0.144,624 -0.282,625 0.276,626 -0.312,627 0.098,628 -0.35,629 -0.078,630 0.003,631 -0.008,632 0.045,633 -0.01,634 -0.005,635 0.025,636 0.141,637 -0.084,638 0.03,639 -0.085,640 0.073,641 -0.054,642 0.159,643 0.031,644 0.115,645 0.059,646 0.167,647 0.075,648 1.578,649 2.454,650 0.808,651 21.503,652 1.011,653 1.126,654 2.985,655 8.91,656 0.686,657 3.401,658 3.714,659 3.989,660 4.277,661 4.443,662 4.466,663 4.543,664 4.663,665 4.7,666 4.736,667 6.341,668 0.667,669 347.41,670 3.401,671 4.934,672 5.784,673 6.661,674 7.525,675 8.408,676 9.278,677 10.164,678 11.039,679 11.927,680 11.6,684 2,685 1,690 2,694 2,695 10,696 2,698 1,700 6,702 22,711 2,712 1,716 1,718 43,719 22,720 2,721 29,723 46,724 19,725 18,726 3,727 9,729 4,730 5,741 18,742 1,753 1,754 1,756 1,757 17,758 7,759 5,760 7,764 5,769 0.75,770 2,776 1,780 1,781 3,784 1,802 3,810 26,811 2,816 1,817 1,818 1,829 4.7,834 2,836 12.667,837 7.483,838 5.694,839 2.304,840 4.34,841 1.577,842 1.039,843 4.539,844 11.862,845 3.714,846 4.36,847 4.976,848 5.592,849 6.078,850 6.285,851 6.617,852 7.012,853 7.176,854 7.409,855 1,856 39,857 9.513,859 4.031,860 7.744,861 17.941,863 14.461,865 2.244,866 58.333,869 1,870 141.253,871 126.768,872 117.376,874 20.507,877 126.768,878 161.76,879 117.376,881 2.106,882 162.82,883 55.989,884 39.509,885 15.998,886 129.482,888 141.253,889 244.144,890 20.507,893 141.253,894 20.507,897 8.412,898 184.15,899 51.582,901 141.253,902 137.883,903 126.768,906 141.253,907 29.742,908 97.026,909 18.011,910 119.873,911 141.253,912 137.883,913 126.768,915 0.576,916 0.336,917 0.192,918 0.1,919 20,920 8,921 0.109,922 5,923 1,924 1.095,925 3.887,926 219.251,927 0.095,928 21,929 118.211,933 16.541,934 7.135,935 3.557,936 1.036,937 137.883,938 18.917,939 8.048,941 5.443,943 3.564,945 83.805,946 405.905,947 40,956 43.465,957 48.402,958 0.298,959 0.651,960 0.765,961 0.875,962 0.928,963 0.94,964 4.924,965 1.461,966 5.753,967 4.156,968 4.394,969 5.047,970 1.207,971 6.55,972 4.312,973 6.138,974 1.309,975 7.295,976 3.13,977 3.892,978 4.808,980 7.416,981 3.753,982 7.444,983 1,984 8.94,985 2.895,986 5.964,987 7.306,988 0.903,989 10.542,990 5.803,991 8.79,992 0.858,993 10.648,994 2.136,995 6.312,996 7.943,998 12.303,999 6.106,1000 10.17,1001 0.617,1002 12.4,1003 2.113,1004 7.828,1005 9.877,1006 0.678,1007 14.935,1008 7.603,1009 11.575,1010 0.095,1011 14.182,1012 1.487,1013 8.59,1014 10.954,1016 17.07,1017 8.332,1018 13.002,1019 -0.244,1020 15.988,1021 0.239,1022 9.875,1023 12.645,1024 0.512,1025 19.539,1026 9.598,1027 3.189,1028 -0.443,1029 17.811,1030 -0.644,1031 10.838,1032 13.947,1034 21.828,1035 10.534,1036 2.883,1037 11.108,1038 19.65,1039 -1.125,1040 12.029,1041 15.533,1042 0.387,1043 24.245,1044 11.706,1045 2.442,1046 9.171,1047 21.5,1048 4.608,1049 13.087,1050 16.948,1052 26.598,1053 12.741,1054 2.326,1055 6.904,1056 23.36,1057 3.831,1058 14.242,1059 18.491,1060 0.293,1061 28.999,1062 13.878,1063 1.98,1064 6.675,1065 25.228,1066 3.404,1067 15.345,1068 19.961,1070 31.379,1071 14.96,1072 1.79,1073 5.791,1074 27.102,1075 3.153,1076 16.489,1077 21.488,1078 0.221,1079 33.778,1080 16.086,1081 1.578,1082 5.034,1083 28.982,1084 2.789,1085 17.614,1086 22.986,1088 36.17,1089 17.19,1090 7955,1091 13479,1092 19.879,1093 29.506,1094 43.34,1095 43.354,1096 43.862,1097 43.117,1098 43.059,1099 59.484,1100 3.035,1101 121.679,1102 41.301,1103 5.496,1104 5.279,1105 6.582,1106 5.237,1107 5.189,1108 7.608,1109 1.72,1110 17.998,1111 5.117,1112 9.33,1113 1.494,1114 1.495,1115 1.512,1116 1.487,1117 1.485,1118 2.051,1119 0.105,1120 4.196,1121 1.424,1122 4.091,1123 4.113,1124 4.07,1125 3.944,1126 5.363,1127 3.97,1128 3.942,1129 3.963,1130 3.891,1131 3.848,1132 4.986,1133 3.855,1134 3.819,1135 3.853,1136 3.747,1137 3.757,1138 4.953,1139 3.75,1140 3.447,1141 3.521,1142 3.372,1143 3.215,1144 4.932,1145 3.245,1146 3.167,1147 3.239,1148 3.056,1149 2.896,1150 4.69,1151 2.924,1152 3.075,1153 3.196,1154 2.948,1155 2.821,1156 4.192,1157 2.836,1158 3.002,1159 3.025,1160 2.912,1161 2.735,1162 4.155,1163 2.775,1164 2.854,1165 2.925,1166 2.687,1167 2.728,1168 4.078,1169 2.715,1170 0.16,1171 0.113,1172 0.234,1173 0.144,1174 0.11,1175 4.638,1176 0.159,1177 3.279,1178 0.03,1179 6.78,1180 0.383,1181 4.165,1182 0.107,1183 3.189,1184 4.608,1185 0.86,1186 11.108,1187 3.117,1188 1.918,1189 1.895,1190 2.024,1191 2.035,1192 1.125,1193 2.03,1194 1.843,1195 1.812,1196 1.964,1197 1.989,1198 1.045,1199 1.963,1200 1.8,1201 1.77,1202 1.862,1203 1.918,1204 0.996,1205 1.923,1206 1.473,1207 1.437,1208 1.627,1209 1.704,1210 0.632,1211 1.689,1212 1.043,1213 0.984,1214 1.282,1215 1.384,1216 0.241,1217 1.36,1218 0.957,1219 0.909,1220 1.221,1221 1.356,1222 0.218,1223 1.32,1224 0.939,1225 0.871,1226 1.181,1227 1.162,1228 0.196,1229 1.151,1230 0.886,1231 0.821,1232 1.155,1233 1.128,1234 0.135,1235 1.134,1236 4.078,1238 5.389,1239 2.398,1240 6.897,1241 4.727,1242 8.497,1243 6.843,1244 10.145,1250 11.558,1252 0.472,1253 3.343,1254 5.954,1262 28.697,1263 69.522,1264 151.971,1265 178.436,1266 204.21,1267 216.574,1268 219.329,1269 32.74,1270 7.522,1271 112.22,1272 112.22,1273 23,1274 12.46,1275 4.524,1276 3.585,1277 38.06,1278 100,1279 92,1280 0.186,1281 176.141,1282 290.4,1283 421.545,1284 20792,1286 17.933,1287 0.69,1288 0.533,1289 17.933,1290 13.846,1291 12.704,1292 0.438,1293 0.278,1294 7.926,1295 12.193,1296 7.799,1297 6.478,1298 12.704,1299 8.054,1300 11.35,1301 0.284,1302 0.142,1303 11.35,1304 5.673,1305 9.469,1306 0.179,1307 0.073,1308 9.469,1309 3.882,1310 8.398,1311 0.118,1312 0.038,1313 8.398,1314 2.685,1315 6.417,1316 0.076,1317 0.02,1318 6.417,1319 1.682,1320 0.292,1321 79.794,1322 0.224,1323 25.16,1324 0.506,1325 138,1326 413.719,1327 153.965,1328 402.434,1329 563.66,1330 378,1331 162,1332 435.65,1333 178.021,1334 437.999,1335 641.22,1336 413,1337 4.921}
{0 CHEMBL23374,1 1.397,2 10.16,3 3.826,4 14.634,5 100.644,6 7.487,7 0.786,8 3.887,9 4.02,10 3.465,11 3.486,12 5.032,13 3.46,14 4.371,15 4.541,16 3.835,17 3.887,18 5.477,19 3.834,20 4.599,21 4.788,22 3.921,23 4.045,24 5.607,25 3.975,26 4.708,27 4.915,28 3.849,29 4.051,30 5.761,31 3.94,32 4.797,33 5.069,34 3.582,35 3.962,36 5.701,37 3.813,38 4.616,39 4.902,40 3.422,41 3.79,42 5.441,43 3.632,44 4.409,45 4.667,46 3.425,47 3.678,48 5.334,49 3.563,50 4.334,51 4.579,52 3.427,53 3.623,54 5.297,55 3.518,56 0.05,57 0.679,58 8.69,59 3.602,60 10.515,61 4.864,62 0.184,63 1.073,64 15.174,65 6.572,66 21.092,67 8.98,68 0.107,69 1.303,70 19.678,71 7.982,72 14.824,73 11.124,74 0.22,75 1.43,76 22.578,77 9.279,78 33.53,79 12.98,80 0.291,81 1.462,82 27.711,83 9.272,84 44.462,85 13.512,86 0.182,87 1.169,88 23.619,89 8.756,90 30.609,91 12.79,92 0.155,93 0.997,94 18.329,95 6.67,96 25.138,97 9.629,98 0.102,99 0.935,100 16.585,101 6.322,102 19.766,103 9.1,104 10,105 40,106 0.238,107 0.584,108 0.731,109 0.815,110 0.867,111 0.882,112 3.267,113 0.886,114 -5.44,115 -5.32,116 -4.97,119 45.5,120 1,121 2,139 7,140 6,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 17,169 2,170 4,172 3,173 3,175 1,178 22,180 1,182 4,187 1,189 21,191 1,192 1,193 6,195 3,196 3,197 1,198 3,200 2,201 17,204 3,205 1,207 3,212 2,215 13,218 2,221 4,226 3,229 11,231 3,234 5,239 2,241 10,243 2,246 7,251 3,254 7,256 3,260 7,265 4,268 2,270 4,273 821,274 16.999,275 16.999,276 16.999,277 16.999,278 16.999,279 14.303,280 12.89,281 9.907,282 17.233,283 13.81,284 13.81,285 13.81,286 13.81,287 13.81,288 9.815,289 12.968,290 4.667,291 14.2,292 4.063,293 2.036,294 1.18,295 0.688,296 0.381,297 0.29,298 3.967,300 1,301 1,302 1,303 561,304 2.55,307 235.998,311 201.172,314 1.446,315 16.604,317 1,318 0.75,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.84,326 52.5,327 254,328 4.655,329 3.312,330 6.835,331 4.186,332 3.213,333 4.616,335 11.231,336 3.134,337 4.493,338 3.106,339 6.506,340 4.029,341 3.03,342 4.43,344 10.196,345 3.027,346 3.907,347 2.719,348 5.801,349 3.505,350 2.544,351 3.411,353 7.86,354 2.447,355 3.515,356 2.29,357 5.203,358 3.119,359 2.134,360 2.909,362 6.253,363 2.106,364 3.451,365 2.154,366 5.094,367 2.97,368 2.028,369 2.86,371 5.894,372 1.902,373 3.373,374 2.043,375 5.006,376 2.896,377 1.965,378 2.701,380 5.785,381 1.818,382 3.118,383 1.619,384 4.263,385 2.618,386 1.618,387 2.427,389 3.818,390 1.618,391 2.771,392 1.618,393 4.153,394 2.333,395 1.371,396 1.904,398 3.541,399 1.317,400 2.708,401 1.285,402 3.602,403 2.271,404 1.274,405 1.779,407 2.851,408 1.268,409 2.421,410 1.111,411 3.443,412 2.03,413 1.04,414 1.392,415 2.387,416 1.029,417 1.962,418 0.76,419 3.195,420 1.64,421 0.657,422 0.838,423 1.546,424 0.645,425 1.415,426 0.254,427 2.829,428 1.036,429 0.074,430 0.095,431 0.182,432 0.071,433 1.194,434 0.106,435 2.792,436 0.837,437 -0.114,438 -0.141,439 -0.298,440 -0.109,441 1.027,442 -0.262,443 2.584,444 0.586,445 -0.38,446 -0.51,448 -0.98,449 -0.361,450 0.882,451 -0.353,452 2.344,453 0.423,454 -0.514,455 -0.645,457 -1.235,458 -0.488,459 12,460 0.48,461 0.627,462 0.025,463 37,464 1.48,465 21,466 0.84,467 16,468 0.64,469 17.886,470 0.715,471 25.2,472 0.573,473 25.211,474 1.008,475 7.164,476 0.287,477 4.967,478 0.199,479 0.108,481 0.375,485 1.073,486 1.066,487 0.813,488 0.866,489 1.238,490 0.82,491 0.402,492 0.82,493 0.742,494 0.899,495 0.426,496 0.867,497 0.894,498 1.122,499 0.923,500 1.042,501 0.794,502 0.996,503 0.597,504 1.169,505 1.115,506 1.319,507 0.61,508 1.284,509 1.402,510 0.899,511 1.244,512 1,513 1.326,514 1.085,515 0.808,516 0.849,517 0.931,518 0.927,519 0.859,520 0.94,521 1.026,522 0.854,523 0.954,524 0.875,525 1.049,526 0.901,527 0.809,528 1.065,529 0.879,530 1.005,531 0.786,532 0.96,533 4.5,534 0.103,535 3.111,536 2.188,537 1.644,538 0.618,539 0.365,540 0.321,541 0.25,542 0.192,543 7388,544 18138,545 2.13,546 43.2,547 7,548 7,550 1,551 4,555 1.679,556 2,557 3.292,558 1.697,560 1,564 61.456,565 1.397,566 3.424,567 4.28,568 4.772,569 5.079,570 5.17,571 2.713,572 4.404,573 4.621,574 3.439,575 1031.7,576 7.979,577 12352.2,579 1,581 1,582 240.215,583 1.388,584 4.579,585 0.161,586 0.006,587 0.078,588 0.051,589 0.044,590 0.023,591 0.015,592 0.013,593 0.01,594 0.009,595 0.41,596 0.17,597 0.88,598 0.553,599 120.079,600 -0.144,601 0.06,602 0.024,603 0.1,604 -0.242,605 0.085,606 0.432,607 0.236,608 0.138,609 0.093,610 0.305,611 0.083,612 -0.058,613 -0.099,614 -0.022,615 -0.053,616 -0.053,617 -0.037,618 0.258,619 -0.174,620 -0.192,621 -0.334,622 0.231,623 -0.318,624 -0.294,625 0.07,626 -0.229,627 -0.043,628 -0.276,629 -0.113,630 -0.002,631 0.034,632 0.09,633 0.09,634 -0.009,635 0.099,636 -0.103,637 0.095,638 0.037,639 0.117,640 -0.11,641 0.097,642 0.035,643 -0.122,644 0.096,645 -0.004,646 0.057,647 0.042,648 1.514,649 2.037,650 0.8,651 18.794,652 0.993,653 1.123,654 4.208,655 17.704,656 0.69,657 3.367,658 3.714,659 4.025,660 4.317,661 4.533,662 4.564,663 4.625,664 4.736,665 4.844,666 4.852,667 5.963,668 0.654,669 329.44,670 3.367,671 4.92,672 5.79,673 6.683,674 7.565,675 8.461,676 9.346,677 10.244,678 11.13,679 12.028,680 11.4,684 2,690 3,694 4,695 8,696 3,700 5,702 22,711 2,718 44,719 22,720 2,721 28,723 47,724 20,725 17,726 3,727 7,729 4,730 6,734 1,739 2,741 17,742 3,754 1,757 19,758 5,759 4,760 5,764 5,769 0.5,775 1,776 1,781 4,785 2,802 2,806 1,810 25,811 2,816 2,836 12.5,837 8.183,838 5.417,839 2.581,840 4.564,841 1.602,842 1.05,843 3.887,844 12.146,845 3.689,846 4.394,847 5.077,848 5.729,849 6.321,850 6.609,851 6.964,852 7.347,853 7.745,854 7.79,855 0.857,856 43,857 9.179,859 3.912,860 7.62,861 17.7,863 14.737,865 2.12,866 53,869 1,870 176.567,871 112.493,872 116.151,877 112.493,878 176.567,879 116.151,880 8.825,881 5.069,882 132.128,883 62.128,884 28.038,885 4.227,886 164.795,888 176.567,889 228.644,893 178.282,897 24.841,898 151.732,899 50.357,901 176.567,902 116.151,903 112.493,906 176.567,907 28.287,908 84.206,910 116.151,911 176.567,912 116.151,913 112.493,915 0.587,916 0.356,917 0.203,918 0.106,919 21,920 9,921 0.064,922 3,923 2,924 1.2,925 3.701,926 214.113,927 0.2,928 20,929 114.096,933 15.646,934 6.211,935 2.845,936 3.912,937 116.151,938 16.769,939 12.668,943 4.099,945 65.794,946 405.211,947 39,956 43.694,957 49.398,958 0.256,959 0.627,960 0.784,961 0.874,962 0.93,963 0.947,964 4.916,965 1.371,966 5.784,967 3.818,968 4.394,969 5.081,971 6.627,972 4.343,973 6.162,974 1.274,975 7.362,976 3.541,977 4.007,978 5.007,980 7.591,981 3.934,982 7.496,983 1.04,984 9.043,985 2.851,986 6.014,987 7.437,989 10.726,990 5.923,991 8.87,992 0.657,993 10.785,994 2.387,995 6.447,996 8.2,998 12.531,999 6.345,1000 10.276,1001 0.074,1002 12.566,1003 1.546,1004 7.931,1005 10.099,1007 15.187,1008 7.812,1009 11.707,1010 -0.114,1011 14.375,1012 0.182,1013 8.753,1014 11.264,1016 17.337,1017 8.625,1018 13.157,1019 -0.38,1020 16.205,1021 -0.298,1022 10.027,1023 12.941,1025 19.829,1026 9.884,1027 3.213,1028 -0.514,1029 18.05,1030 -0.98,1031 11.03,1032 14.298,1034 22.122,1035 10.874,1036 3.03,1037 11.231,1038 19.907,1039 -1.235,1040 12.222,1041 15.88,1043 24.553,1044 12.05,1045 2.544,1046 10.196,1047 21.773,1048 4.616,1049 13.305,1050 17.325,1052 26.906,1053 13.119,1054 2.134,1055 7.86,1056 23.647,1057 4.43,1058 14.467,1059 18.867,1061 29.316,1062 14.264,1063 2.028,1064 6.253,1065 25.527,1066 3.411,1067 15.587,1068 20.351,1070 31.696,1071 15.366,1072 1.965,1073 5.894,1074 27.412,1075 2.909,1076 16.739,1077 21.877,1079 34.1,1080 16.499,1081 1.618,1082 5.785,1083 29.302,1084 2.86,1085 17.874,1086 23.378,1088 36.493,1089 17.617,1090 6933,1091 10994,1092 18.898,1093 30.358,1094 42.151,1095 42.119,1096 43.343,1097 41.951,1098 41.897,1099 58.725,1101 123.089,1102 40.766,1103 5.488,1104 5.312,1105 6.524,1106 5.261,1107 5.213,1108 7.616,1110 18.469,1111 5.134,1112 10.807,1113 1.505,1114 1.504,1115 1.548,1116 1.498,1117 1.496,1118 2.097,1120 4.396,1121 1.456,1122 4.116,1123 4.144,1124 4.075,1125 4.067,1126 5.321,1127 4.063,1128 4.037,1129 4.068,1130 4.007,1131 3.94,1132 4.981,1133 3.955,1134 3.599,1135 3.658,1136 3.513,1137 3.475,1138 4.896,1139 3.474,1140 3.459,1141 3.511,1142 3.364,1143 3.341,1144 4.801,1145 3.344,1146 3.263,1147 3.338,1148 3.12,1149 3.116,1150 4.34,1151 3.111,1152 3.156,1153 3.25,1154 3.048,1155 2.937,1156 4.193,1157 2.943,1158 3.023,1159 3.152,1160 2.836,1161 2.795,1162 4.028,1163 2.796,1164 2.945,1165 3.011,1166 2.783,1167 2.703,1168 3.906,1169 2.719,1170 0.166,1171 0.118,1172 0.244,1173 0.15,1174 0.115,1175 4.655,1176 0.165,1177 3.312,1179 6.835,1180 0.401,1181 4.186,1182 0.112,1183 3.213,1184 4.616,1186 11.231,1187 3.134,1188 2.089,1189 2.07,1190 2.177,1191 2.154,1192 1.374,1193 2.159,1194 1.99,1195 1.96,1196 2.055,1197 2.109,1198 1.218,1199 2.096,1200 1.581,1201 1.532,1202 1.761,1203 1.748,1204 0.949,1205 1.754,1206 1.447,1207 1.397,1208 1.624,1209 1.602,1210 0.672,1211 1.618,1212 1.267,1213 1.195,1214 1.561,1215 1.472,1216 0.56,1217 1.509,1218 1.107,1219 1.028,1220 1.355,1221 1.38,1222 0.41,1223 1.371,1224 0.947,1225 0.876,1226 1.262,1227 1.334,1228 0.23,1229 1.34,1230 0.943,1231 0.826,1232 1.2,1233 1.126,1234 0.062,1235 1.156,1236 4.043,1238 5.38,1240 6.93,1242 8.584,1244 10.289,1246 2.04,1250 11.695,1252 1.817,1262 28.795,1263 61.456,1264 150.647,1265 188.299,1266 209.95,1267 223.46,1268 227.46,1269 31.029,1270 7.582,1271 90.71,1272 90.71,1273 24,1274 12.554,1275 4.524,1276 3.585,1277 36.007,1278 91,1279 80,1280 0.196,1281 177.741,1282 290.12,1283 425.449,1284 21356,1286 17.389,1287 0.696,1288 0.561,1289 17.389,1290 14.029,1291 12.131,1292 0.433,1293 0.295,1294 8.205,1295 11.866,1296 7.969,1297 6.628,1298 12.131,1299 8.271,1300 11.065,1301 0.277,1302 0.155,1303 11.065,1304 6.212,1305 9.571,1306 0.174,1307 0.085,1308 9.571,1309 4.678,1310 8.555,1311 0.116,1312 0.045,1313 8.555,1314 3.365,1315 6.651,1316 0.072,1317 0.024,1318 6.651,1319 2.234,1320 0.306,1321 74.634,1322 0.23,1323 24.125,1324 0.54,1325 136,1326 331.56,1327 144.159,1328 338.625,1329 481.59,1330 318,1331 163,1332 373.789,1333 170.66,1334 385.511,1335 565.22,1336 364,1337 6.87}
{0 CHEMBL23380,1 1.778,2 10.091,3 1.815,4 3.296,5 85.895,6 8.734,7 0.708,8 3.718,9 3.839,10 3.463,11 3.266,12 4.954,13 3.251,14 4.165,15 4.319,16 3.81,17 3.612,18 5.397,19 3.568,20 4.279,21 4.442,22 3.873,23 3.688,24 5.486,25 3.63,26 4.281,27 4.468,28 3.754,29 3.627,30 5.461,31 3.528,32 4.274,33 4.507,34 3.518,35 3.547,36 5.311,37 3.418,38 4.183,39 4.414,40 3.41,41 3.406,42 5.203,43 3.276,44 3.985,45 4.228,46 3.212,47 3.243,48 4.952,49 3.134,50 3.838,51 4.045,52 3.221,53 3.102,54 4.992,55 3.062,56 0.09,57 0.609,58 6.217,59 2.897,60 11.506,61 3.228,62 0.278,63 0.909,64 14.068,65 5.405,66 24.444,67 5.875,68 0.313,69 1.027,70 15.692,71 5.491,72 25.605,73 5.973,74 0.3,75 0.974,76 17.214,77 6.19,78 29.751,79 7.164,80 0.271,81 0.899,82 17.021,83 5.989,84 30.638,85 7.422,86 0.311,87 0.817,88 19.075,89 5.221,90 29.012,91 6.308,92 0.207,93 0.639,94 14.577,95 4.893,96 18.998,97 6.285,98 0.197,99 0.578,100 9.634,101 3.199,102 17.899,103 4.253,104 11,105 33,106 0.321,107 0.687,108 0.819,109 0.879,110 0.879,111 0.879,112 3.146,113 0.932,114 -3.66,115 -3.63,116 -3.45,119 38.9,124 1,125 1,139 4,141 2,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 2,169 2,170 2,172 3,173 3,178 5,181 3,182 2,184 1,185 1,189 2,192 1,193 3,195 3,196 3,197 1,200 2,201 1,205 1,207 2,209 1,210 1,221 5,226 1,231 1,233 1,234 2,245 1,246 5,251 3,256 3,260 2,265 1,270 1,273 616,274 14.903,275 14.903,276 14.903,277 14.903,278 14.903,279 12.843,280 15.917,281 8.778,282 15.556,283 11.799,284 11.799,285 11.799,286 11.799,287 11.799,288 8.65,289 17.29,290 4.125,291 12.793,292 3.392,293 1.367,294 0.632,295 0.299,296 0.299,297 0.299,298 3.829,300 1,301 1,302 1,303 475,304 2.55,307 182.459,311 94.702,314 1.463,315 19.346,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48,327 222,328 4.541,329 4.437,330 6.502,331 4.02,332 3.079,333 4.491,334 3.272,335 10.175,336 2.897,337 4.07,338 3.159,339 5.595,340 3.629,341 2.696,342 3.67,343 0.86,344 7.711,345 2.509,346 3.769,347 2.978,348 5.311,349 3.343,350 2.409,351 3.232,353 6.879,354 2.249,355 3.432,356 2.714,357 5.062,358 2.993,359 2.094,360 2.811,362 5.873,363 1.886,364 3.406,365 2.281,366 4.989,367 2.932,368 2.015,369 2.717,371 5.795,372 1.826,373 3.312,374 2.1,375 4.921,376 2.857,377 1.933,378 2.581,380 5.664,381 1.775,382 2.689,383 1.898,384 3.71,385 2.211,386 1.241,387 1.774,389 2.675,390 1.196,391 2.454,392 1.42,393 3.509,394 1.918,395 1.008,396 1.434,398 2.565,399 0.916,400 1.91,401 1.058,402 3.244,403 1.544,404 0.695,405 0.816,407 1.667,408 0.576,409 1.583,410 0.937,411 2.751,412 1.292,413 0.427,414 0.48,415 0.622,416 0.366,417 1.368,418 0.502,419 2.68,420 0.912,421 0.022,422 0.029,423 0.056,424 0.02,425 0.976,426 0.225,427 2.562,428 0.48,429 -0.432,430 -0.561,431 -1.128,432 -0.392,433 0.787,434 -0.293,435 2.426,436 0.373,437 -0.546,438 -0.679,439 -1.294,440 -0.489,441 0.595,442 -0.395,443 2.105,444 0.159,445 -0.781,446 -0.982,448 -1.843,449 -0.717,450 0.557,451 -0.491,452 1.692,453 0.112,454 -0.815,455 -1.093,457 -2.193,458 -0.752,459 10.567,460 0.48,461 0.52,462 0.024,463 33,464 1.5,465 18,466 0.818,467 15,468 0.682,469 13.856,470 0.63,471 23.033,472 0.64,473 21.447,474 0.975,475 6.397,476 0.291,477 4.255,478 0.193,479 0.123,481 0.331,485 1.064,486 1.229,487 0.727,488 0.865,489 1.248,490 0.801,491 0.995,492 0.935,493 0.977,494 0.964,495 0.638,496 0.807,497 1.129,498 1.061,499 1.165,500 1.09,501 0.976,502 0.985,503 0.717,504 1.078,505 1.15,506 1.316,507 0.698,508 1.207,509 0.886,510 0.976,511 1.023,512 0.993,513 0.993,514 1.07,515 1.17,516 1.052,517 1.386,518 1.257,519 1.237,520 1.126,521 0.594,522 0.93,523 0.887,524 0.976,525 0.523,526 0.883,527 0.954,528 1.13,529 0.676,530 0.877,531 0.886,532 0.911,533 5,534 0.099,535 2,536 1.313,537 1.48,538 0.417,539 0.264,540 0.28,541 0.135,542 0.171,543 5208,544 16290,545 2.07,546 38.9,548 9,550 1,551 4,555 1.64,556 1.941,557 3.305,558 1.959,559 1,560 1,562 1,564 64.002,565 1.778,566 3.803,567 4.538,568 4.871,569 4.871,570 4.871,571 2.738,572 4.369,573 4.433,574 3.433,575 793.09,576 7.589,577 8849.12,578 1,579 1,581 1,582 186.117,583 1.395,584 4.392,585 0.208,586 0.008,587 0.061,588 0.04,589 0.055,590 0.019,591 0.015,592 0.016,593 0.008,594 0.011,595 0.44,596 0.17,597 1,598 0.797,599 102.198,600 -0.194,601 -0.089,602 0.035,603 0.061,604 -0.309,605 0.059,606 0.072,607 0.147,608 0.045,609 0.102,610 0.207,611 0.12,612 -0.1,613 0.06,614 -0.116,615 -0.035,616 -0.092,617 -0.088,618 0.153,619 -0.038,620 -0.067,621 -0.227,622 0.188,623 -0.232,624 -0.086,625 -0.026,626 -0.029,627 0.006,628 -0.07,629 -0.056,630 -0.217,631 -0.074,632 -0.171,633 -0.13,634 -0.289,635 -0.107,636 0.184,637 -0.048,638 0.147,639 0.065,640 0.214,641 0.197,642 0.057,643 -0.191,644 0.114,645 -0.029,646 0.092,647 0.035,648 1.571,649 1.814,650 0.727,651 17.273,652 1.015,653 1.133,654 2.427,655 5.89,656 0.7,657 3.219,658 3.526,659 3.761,660 4.007,661 4.234,662 4.205,663 4.248,664 4.304,665 4.419,666 4.407,667 5.878,668 0.67,669 314.41,670 3.219,671 4.745,672 5.58,673 6.447,674 7.298,675 8.168,676 9.025,677 9.897,678 10.757,679 11.63,680 16.7,684 2,690 4,694 2,695 5,696 4,700 5,702 17,711 2,716 1,718 36,719 17,720 1,721 24,723 38,724 14,725 12,726 2,727 4,729 3,730 4,741 12,742 2,753 1,754 1,757 14,758 7,759 4,760 8,761 1,764 6,769 0.667,770 1,774 1,776 1,781 3,785 1,802 2,803 1,804 1,806 1,810 22,811 2,816 1,818 1,819 1,829 2.8,834 1,836 11.333,837 6.717,838 4.889,839 1.806,840 3.331,841 1.482,842 1.002,843 4.27,844 10.244,845 3.512,846 4.159,847 4.76,848 5.366,849 5.952,850 6.159,851 6.471,852 6.807,853 7.22,854 7.255,855 0.857,856 33,857 8.029,859 3.33,860 7.795,861 15.064,863 11.852,865 2.295,866 50.5,870 117.711,871 108.592,872 132.936,874 11,876 32.22,877 76.373,878 128.711,879 132.936,880 10.883,881 0.9,882 103.699,883 78.913,884 33.458,885 4.227,886 138.159,888 117.711,889 209.309,890 11,891 32.22,893 119.426,894 11,897 16.747,898 123.705,899 67.142,900 32.22,901 117.711,902 143.936,903 108.592,906 117.711,907 50.757,908 57.835,910 143.936,911 117.711,912 143.936,913 108.592,915 0.577,916 0.335,917 0.181,918 0.101,919 16,920 7,921 0.105,922 4,923 1,924 1.125,925 3.482,926 167.265,927 0.125,928 16,929 98.107,930 1,933 14.818,934 6.34,935 3.4,936 0.873,937 143.936,938 9.503,939 16.601,943 3.034,945 65.794,946 370.239,947 32.5,956 36.549,957 40.78,958 0.344,959 0.736,960 0.878,961 0.942,962 0.942,963 0.942,964 4.721,965 1.008,966 5.557,967 2.675,968 4.205,969 4.844,970 3.174,971 6.33,972 4.051,973 5.941,974 0.695,975 7.091,976 2.565,977 3.761,978 4.691,980 7.125,981 3.552,982 7.251,983 0.427,984 8.718,985 1.667,986 5.765,987 7.115,988 5.444,989 10.192,990 5.477,991 8.597,992 0.022,993 10.398,994 0.622,995 6.089,996 7.754,998 11.792,999 5.74,1000 9.97,1001 -0.432,1002 12.113,1003 0.056,1004 7.576,1005 9.666,1006 7.807,1007 14.387,1008 7.166,1009 11.363,1010 -0.546,1011 13.853,1012 -1.128,1013 8.281,1014 10.713,1016 16.37,1017 7.809,1018 12.774,1019 -0.781,1020 15.612,1021 -1.294,1022 9.546,1023 12.397,1024 10.177,1025 18.792,1026 9.02,1027 3.079,1028 -0.815,1029 17.387,1030 -1.843,1031 10.451,1032 13.665,1034 20.958,1035 9.862,1036 2.696,1037 10.175,1038 19.176,1039 -2.193,1040 11.618,1041 15.242,1042 12.548,1043 23.315,1044 10.977,1045 2.409,1046 7.711,1047 20.977,1048 4.491,1049 12.626,1050 16.626,1052 25.565,1053 11.922,1054 2.094,1055 6.879,1056 22.789,1057 3.67,1058 13.755,1059 18.156,1060 14.919,1061 27.898,1062 12.997,1063 2.015,1064 5.873,1065 24.609,1066 3.232,1067 14.815,1068 19.598,1070 30.185,1071 13.995,1072 1.933,1073 5.795,1074 26.438,1075 2.811,1076 15.93,1077 21.108,1078 17.29,1079 32.509,1080 15.054,1081 1.241,1082 5.664,1083 28.273,1084 2.717,1085 17.017,1086 22.579,1088 34.814,1089 16.08,1090 5068,1091 9099,1092 16.008,1093 25.182,1094 35.277,1095 38.624,1096 36.188,1097 35.147,1098 35.237,1099 48.069,1100 8.265,1101 99.363,1102 32.431,1103 5.367,1104 6.437,1105 6.098,1106 5.135,1107 5.079,1108 7.491,1109 6.545,1110 17.069,1111 4.897,1112 10.328,1113 1.47,1114 1.609,1115 1.508,1116 1.464,1117 1.468,1118 2.003,1119 0.344,1120 4.14,1121 1.351,1122 4.029,1123 4.079,1124 4.075,1125 3.899,1126 5.341,1127 3.901,1128 3.886,1129 3.905,1130 3.94,1131 3.806,1132 4.989,1133 3.812,1134 3.502,1135 3.565,1136 3.56,1137 3.367,1138 4.874,1139 3.352,1140 3.251,1141 3.314,1142 3.277,1143 3.014,1144 4.846,1145 3.001,1146 3.101,1147 3.221,1148 3.02,1149 2.92,1150 4.373,1151 2.89,1152 3.063,1153 3.133,1154 2.992,1155 2.779,1156 4.215,1157 2.821,1158 2.801,1159 2.871,1160 2.7,1161 2.654,1162 4.046,1163 2.648,1164 2.728,1165 2.797,1166 2.559,1167 2.586,1168 3.713,1169 2.569,1170 0.189,1171 0.185,1172 0.271,1173 0.168,1174 0.128,1175 4.541,1176 0.187,1177 4.437,1178 0.136,1179 6.502,1180 0.424,1181 4.02,1182 0.121,1183 3.079,1184 4.491,1185 3.272,1186 10.175,1187 2.897,1188 1.921,1189 1.886,1190 1.968,1191 2.104,1192 1.103,1193 2.066,1194 1.862,1195 1.837,1196 1.936,1197 1.951,1198 0.978,1199 1.962,1200 1.436,1201 1.387,1202 1.575,1203 1.645,1204 0.714,1205 1.636,1206 1.196,1207 1.126,1208 1.556,1209 1.505,1210 0.572,1211 1.526,1212 1.015,1213 0.955,1214 1.27,1215 1.378,1216 0.214,1217 1.359,1218 0.978,1219 0.873,1220 1.202,1221 1.232,1222 0.15,1223 1.262,1224 0.814,1225 0.744,1226 1.102,1227 1,1228 0.084,1229 1.04,1230 0.735,1231 0.67,1232 0.993,1233 0.923,1235 0.956,1236 3.892,1238 5.198,1240 6.706,1242 8.307,1244 9.958,1246 1.646,1250 11.353,1252 0.653,1254 5.205,1255 1.632,1262 24.138,1263 64.002,1264 136.898,1265 163.362,1266 175.362,1267 175.362,1268 175.362,1269 27.417,1270 6.913,1271 112.83,1272 138.13,1273 18,1274 12.174,1275 4.17,1276 3.248,1277 34.681,1278 78,1279 74,1280 0.219,1281 155.357,1282 253.16,1283 370.831,1284 8904,1286 15.527,1287 0.706,1288 0.576,1289 15.88,1290 12.67,1291 10.652,1292 0.444,1293 0.311,1294 6.434,1295 9.692,1296 6.175,1297 5.147,1298 11.106,1299 7.455,1300 9.541,1301 0.289,1302 0.167,1303 10.118,1304 5.517,1305 7.819,1306 0.186,1307 0.094,1308 8.496,1309 3.956,1310 6.54,1311 0.121,1312 0.051,1313 7.228,1314 2.728,1315 5.299,1316 0.078,1317 0.028,1318 6.003,1319 1.935,1320 0.347,1321 71.826,1322 0.25,1323 21.879,1324 0.591,1325 114,1326 363.801,1327 149.374,1328 375.136,1329 515.35,1330 352,1331 132,1332 370.208,1333 163.439,1334 388.876,1335 565.05,1336 363,1337 5.114}
{0 CHEMBL23382,1 1.563,2 10.708,3 2.348,4 5.515,5 96.166,6 7.373,7 0.654,8 3.889,9 4.03,10 3.437,11 3.369,12 5.058,13 3.366,14 4.371,15 4.564,16 3.791,17 3.734,18 5.496,19 3.711,20 4.515,21 4.688,22 3.887,23 3.891,24 5.605,25 3.856,26 4.696,27 4.912,28 3.816,29 3.927,30 5.793,31 3.838,32 4.796,33 5.08,34 3.543,35 3.85,36 5.714,37 3.714,38 4.573,39 4.859,40 3.417,41 3.688,42 5.461,43 3.547,44 4.413,45 4.675,46 3.352,47 3.581,48 5.343,49 3.471,50 4.354,51 4.619,52 3.285,53 3.505,54 5.286,55 3.383,56 0.057,57 0.696,58 9.307,59 3.369,60 11.257,61 4.797,62 0.265,63 1.031,64 16.751,65 5.924,66 26.308,67 8.296,68 0.134,69 1.227,70 18.456,71 6.397,72 14.988,73 9.345,74 0.297,75 1.346,76 23.404,77 7.998,78 37.633,79 11.795,80 0.471,81 1.278,82 28.928,83 7.876,84 51.641,85 12.644,86 0.298,87 1.034,88 22.867,89 7.507,90 34.287,91 11.447,92 0.231,93 0.917,94 18.976,95 5.912,96 27.724,97 9.05,98 0.173,99 0.852,100 17.772,101 5.917,102 24.476,103 9.001,104 27,105 37,106 0.271,107 0.647,108 0.801,109 0.843,110 0.867,111 0.867,112 3.228,113 0.871,114 -3.89,115 -3.85,116 -3.65,119 38.6,120 2,124 1,125 1,139 3,140 4,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 6,169 2,170 6,172 3,173 3,175 4,178 6,180 1,182 5,187 5,189 3,191 1,192 1,193 6,195 3,196 4,197 1,198 5,200 2,201 3,204 3,205 1,210 1,212 1,215 5,218 1,221 2,224 2,225 1,226 2,228 1,229 7,231 2,234 4,241 6,246 5,250 1,251 2,253 1,256 2,259 1,260 8,265 3,270 3,273 778,274 15.955,275 15.955,276 15.955,277 15.955,278 15.955,279 13.769,280 21.801,281 9.143,282 16.423,283 12.717,284 12.717,285 12.717,286 12.717,287 12.717,288 9.403,289 30.482,290 4.227,291 13.385,292 3.896,293 1.726,294 0.841,295 0.597,296 0.461,297 0.461,298 3.906,300 1,301 1,302 1,303 546,304 2.739,307 202.272,311 106.316,314 1.483,315 19.587,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52,327 257,328 4.654,329 3.315,330 6.835,331 4.185,332 3.212,333 4.616,334 0.86,335 11.231,336 3.13,337 4.242,338 3.067,339 6.073,340 3.845,341 2.869,342 3.89,343 0.657,344 8.772,345 2.8,346 3.904,347 2.749,348 5.795,349 3.495,350 2.538,351 3.409,353 7.841,354 2.429,355 3.539,356 2.593,357 5.221,358 3.163,359 2.232,360 2.862,362 6.494,363 2.069,364 3.453,365 2.207,366 5.096,367 2.981,368 2.046,369 2.848,371 5.909,372 1.908,373 3.38,374 2.052,375 5.008,376 2.9,377 1.978,378 2.702,380 5.792,381 1.82,382 2.852,383 1.777,384 4.281,385 2.478,386 1.499,387 1.983,389 3.854,390 1.466,391 2.705,392 1.567,393 4.159,394 2.303,395 1.346,396 1.776,398 3.499,399 1.285,400 2.115,401 1.185,402 3.379,403 1.83,404 0.898,405 1.058,407 2.037,408 0.833,409 1.691,410 0.936,411 2.961,412 1.394,413 0.508,414 0.576,415 0.906,416 0.445,417 1.386,418 0.445,419 2.823,420 1.054,421 0.129,422 0.155,423 0.26,424 0.119,425 1.195,426 0.117,427 2.738,428 0.838,429 -0.11,430 -0.136,431 -0.284,432 -0.104,433 1.048,434 -0.013,435 2.585,436 0.693,437 -0.264,438 -0.326,439 -0.617,440 -0.251,441 0.849,442 -0.296,443 2.333,444 0.443,445 -0.479,446 -0.595,448 -1.189,449 -0.44,450 0.663,451 -0.347,452 2.105,453 0.272,454 -0.686,455 -0.854,457 -1.645,458 -0.653,459 11.233,460 0.468,461 0.682,462 0.028,463 34,464 1.417,465 18,466 0.75,467 16,468 0.667,469 17.629,470 0.735,471 25.967,472 0.59,473 24.111,474 1.005,475 6.842,476 0.285,477 4.648,478 0.194,479 0.205,481 0.401,485 1.081,486 1.334,487 0.843,488 1.053,489 1.258,490 0.923,491 0.93,492 0.845,493 0.707,494 0.789,495 0.572,496 0.739,497 1.082,498 1.423,499 0.984,500 1.197,501 0.904,502 1.094,503 0.773,504 1.241,505 1.141,506 1.359,507 0.695,508 1.319,509 1.147,510 0.859,511 1.163,512 0.9,513 1.247,514 1.005,515 0.625,516 0.807,517 0.889,518 0.942,519 0.764,520 0.956,521 1.019,522 0.932,523 1.024,524 0.946,525 1.013,526 0.977,527 0.702,528 1.027,529 0.931,530 1.101,531 0.788,532 1.058,533 5.5,534 0.161,535 3.111,536 2.188,537 1.822,538 0.757,539 0.384,540 0.342,541 0.303,542 0.137,543 6246,544 17072,545 2.015,546 45.5,547 6,548 8,550 1,551 5,555 1.666,556 1.846,557 3.341,558 2.661,559 1,560 1,562 1,564 68.78,565 1.563,566 3.734,567 4.618,568 4.863,569 4.999,570 4.999,571 2.836,572 4.002,573 4.557,574 3.484,575 961.501,576 7.849,577 11248.3,579 1,581 1,582 240.215,583 1.528,584 4.493,585 0.212,586 0.012,587 0.084,588 0.055,589 0.054,590 0.03,591 0.017,592 0.016,593 0.015,594 0.007,595 0.501,596 0.17,597 1,598 0.854,599 114.326,600 -0.15,601 -0.088,602 0.022,603 0.012,604 -0.271,605 0.047,606 0.138,607 0.259,608 0.227,609 0.244,610 0.268,611 0.24,612 -0.152,613 -0.266,614 -0.09,615 -0.152,616 -0.11,617 -0.119,618 0.089,619 -0.165,620 -0.217,621 -0.357,622 0.154,623 -0.347,624 -0.173,625 0.072,626 -0.158,627 0.03,628 -0.229,629 -0.044,630 0.108,631 0.092,632 0.09,633 0.057,634 0.067,635 0.066,636 -0.143,637 0.024,638 -0.053,639 0.046,640 -0.147,641 0.019,642 0.05,643 -0.094,644 0.031,645 -0.089,646 0.041,647 -0.038,648 1.536,649 1.985,650 0.667,651 19.618,652 1.003,653 1.139,654 2.665,655 7.1,656 0.655,657 3.296,658 3.638,659 3.912,660 4.159,661 4.357,662 4.407,663 4.394,664 4.466,665 4.585,666 4.585,667 6.041,668 0.626,669 324.43,670 3.296,671 4.844,672 5.7,673 6.586,674 7.456,675 8.346,676 9.221,677 10.113,678 10.991,679 11.884,680 13.6,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 1,718 44,719 17,720 1,721 26,723 46,724 17,725 13,726 3,727 3,729 3,730 4,734 2,741 13,742 4,753 1,754 1,757 20,758 7,759 5,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 3,810 24,811 2,816 1,817 1,818 1,829 2.3,834 1,836 13,837 8.767,838 5.306,839 2.344,840 3.378,841 1.476,842 0.995,843 4.513,844 10.471,845 3.57,846 4.248,847 4.875,848 5.479,849 6.046,850 6.318,851 6.582,852 6.937,853 7.33,854 7.439,855 1,856 40,857 8.78,859 3.625,860 7.729,861 16.637,863 13.184,865 2.229,866 53.5,869 1,870 176.567,871 94.188,872 134.162,874 11,877 94.188,878 187.566,879 134.162,880 28.533,881 2.106,882 94.223,883 80.138,884 41.892,885 4.227,886 164.795,888 176.567,889 228.349,890 11,893 178.282,894 11,897 30.703,898 127.564,899 68.367,901 176.567,902 145.162,903 94.188,906 176.567,907 28.178,908 66.01,909 18.011,910 127.151,911 176.567,912 145.162,913 94.188,915 0.588,916 0.354,917 0.189,918 0.098,919 18,920 9,921 0.087,922 4,923 1,924 1.125,925 3.542,926 193.307,927 0.125,928 16,929 110.039,933 16.43,934 6.593,935 3.28,936 1.261,937 145.162,938 7.698,939 12.511,943 5.489,945 83.805,946 415.916,947 34.5,956 44.123,957 50.106,958 0.286,959 0.684,960 0.846,961 0.891,962 0.916,963 0.916,964 4.806,965 1.346,966 5.707,967 3.854,968 4.317,969 4.934,970 1.207,971 6.538,972 4.226,973 6.051,974 0.898,975 7.287,976 3.499,977 4.007,978 4.913,980 7.486,981 3.898,982 7.385,983 0.508,984 8.964,985 2.037,986 5.938,987 7.249,988 0.903,989 10.584,990 5.78,991 8.756,992 0.129,993 10.695,994 0.906,995 6.399,996 8.008,998 12.341,999 6.233,1000 10.156,1001 -0.11,1002 12.463,1003 0.26,1004 7.836,1005 9.858,1006 0.678,1007 14.987,1008 7.632,1009 11.576,1010 -0.264,1011 14.256,1012 -0.284,1013 8.658,1014 10.998,1016 17.107,1017 8.446,1018 13.014,1019 -0.479,1020 16.069,1021 -0.617,1022 9.906,1023 12.651,1024 0.512,1025 19.599,1026 9.664,1027 3.212,1028 -0.686,1029 17.898,1030 -1.189,1031 10.9,1032 13.984,1034 21.883,1035 10.645,1036 2.869,1037 11.231,1038 19.74,1039 -1.645,1040 12.077,1041 15.554,1042 0.387,1043 24.32,1044 11.795,1045 2.538,1046 8.772,1047 21.593,1048 4.616,1049 13.152,1050 16.984,1052 26.677,1053 12.852,1054 2.232,1055 7.841,1056 23.456,1057 3.89,1058 14.305,1059 18.521,1060 0.293,1061 29.097,1062 13.981,1063 2.046,1064 6.494,1065 25.327,1066 3.409,1067 15.419,1068 19.998,1070 31.487,1071 15.073,1072 1.978,1073 5.909,1074 27.205,1075 2.862,1076 16.566,1077 21.523,1078 0.221,1079 33.902,1080 16.196,1081 1.499,1082 5.792,1083 29.088,1084 2.848,1085 17.7,1086 23.024,1088 36.307,1089 17.306,1090 6143,1091 10280,1092 16.819,1093 28.819,1094 38.649,1095 39.254,1096 40.693,1097 38.443,1098 38.508,1099 51.749,1100 3.035,1101 113.192,1102 36.605,1103 5.489,1104 5.315,1105 6.385,1106 5.26,1107 5.212,1108 7.616,1109 1.72,1110 18.467,1111 5.13,1112 13.816,1113 1.487,1114 1.51,1115 1.565,1116 1.479,1117 1.481,1118 1.99,1119 0.117,1120 4.354,1121 1.408,1122 4.074,1123 4.114,1124 4.049,1125 3.963,1126 5.321,1127 3.978,1128 3.927,1129 3.956,1130 3.875,1131 3.846,1132 4.982,1133 3.849,1134 3.551,1135 3.618,1136 3.481,1137 3.361,1138 4.874,1139 3.385,1140 3.313,1141 3.376,1142 3.174,1143 3.072,1144 4.801,1145 3.08,1146 3.194,1147 3.291,1148 3.051,1149 2.99,1150 4.437,1151 2.982,1152 3.137,1153 3.234,1154 2.975,1155 2.92,1156 4.194,1157 2.922,1158 3.077,1159 3.173,1160 2.874,1161 2.813,1162 4.03,1163 2.825,1164 3.023,1165 3.152,1166 2.802,1167 2.703,1168 3.895,1169 2.72,1170 0.179,1171 0.128,1172 0.263,1173 0.161,1174 0.124,1175 4.654,1176 0.178,1177 3.315,1178 0.033,1179 6.835,1180 0.432,1181 4.185,1182 0.12,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.13,1188 1.999,1189 1.968,1190 2.068,1191 2.134,1192 1.233,1193 2.113,1194 1.902,1195 1.878,1196 2.003,1197 2.01,1198 1.128,1199 2.01,1200 1.481,1201 1.42,1202 1.635,1203 1.712,1204 0.741,1205 1.698,1206 1.259,1207 1.193,1208 1.598,1209 1.552,1210 0.62,1211 1.565,1212 1.192,1213 1.101,1214 1.541,1215 1.452,1216 0.559,1217 1.486,1218 1.129,1219 1.043,1220 1.492,1221 1.383,1222 0.545,1223 1.418,1224 1.016,1225 0.921,1226 1.274,1227 1.345,1228 0.197,1229 1.342,1230 0.946,1231 0.826,1232 1.254,1233 1.317,1234 0.112,1235 1.319,1236 3.97,1238 5.303,1240 6.841,1242 8.477,1244 10.164,1246 5.675,1250 11.608,1252 0.617,1253 3.415,1254 5.227,1262 27.531,1263 68.78,1264 164.287,1265 203.195,1266 213.95,1267 219.95,1268 219.95,1269 33.342,1270 7.093,1271 111.97,1272 111.97,1273 18,1274 12.414,1275 4.17,1276 3.248,1277 39.44,1278 87,1279 94,1280 0.224,1281 173.003,1282 286.55,1283 413.887,1284 10892,1286 17.267,1287 0.719,1288 0.58,1289 17.267,1290 13.921,1291 11.49,1292 0.442,1293 0.29,1294 7.423,1295 11.002,1296 7.122,1297 5.994,1298 11.49,1299 7.55,1300 10.49,1301 0.284,1302 0.152,1303 10.49,1304 5.608,1305 8.881,1306 0.181,1307 0.082,1308 8.881,1309 4.037,1310 7.495,1311 0.119,1312 0.042,1313 7.495,1314 2.663,1315 5.575,1316 0.072,1317 0.021,1318 5.575,1319 1.649,1320 0.353,1321 72.36,1322 0.244,1323 23.427,1324 0.613,1325 126,1326 359.628,1327 138.759,1328 354.207,1329 493.09,1330 332,1331 149,1332 374.024,1333 161.316,1334 383.867,1335 557.51,1336 358,1337 7.538}
{0 CHEMBL23383,1 1.439,2 9.391,3 2.851,4 8.128,5 94.744,6 7.173,7 0.68,8 3.854,9 4.004,10 3.382,11 3.372,12 4.996,13 3.351,14 4.338,15 4.541,16 3.75,17 3.751,18 5.433,19 3.706,20 4.51,21 4.694,22 3.836,23 3.904,24 5.569,25 3.846,26 4.701,27 4.938,28 3.755,29 3.911,30 5.754,31 3.802,32 4.74,33 5.035,34 3.486,35 3.809,36 5.641,37 3.672,38 4.527,39 4.808,40 3.367,41 3.686,42 5.413,43 3.535,44 4.437,45 4.721,46 3.326,47 3.61,48 5.302,49 3.475,50 4.311,51 4.567,52 3.268,53 3.524,54 5.261,55 3.396,56 0.056,57 0.692,58 9.287,59 3.328,60 11.076,61 4.906,62 0.209,63 1.043,64 16.182,65 6.006,66 22.725,67 8.709,68 0.096,69 1.244,70 18.747,71 6.619,72 14.949,73 9.939,74 0.294,75 1.35,76 24.3,77 8.176,78 39.651,79 12.365,80 0.355,81 1.256,82 27.2,83 7.28,84 44.839,85 11.925,86 0.245,87 1.026,88 21.388,89 7.428,90 31.26,91 11.213,92 0.167,93 0.939,94 19.574,95 6.579,96 25.376,97 10.129,98 0.138,99 0.867,100 16.672,101 5.823,102 22.188,103 8.827,104 26,105 36,106 0.251,107 0.613,108 0.742,109 0.797,110 0.863,111 0.863,112 3.188,113 0.892,114 -4.39,115 -4.32,116 -4.07,119 39.5,120 3,125 1,139 3,140 5,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 9,169 2,170 4,172 3,173 3,175 4,178 10,180 1,182 3,187 5,189 5,191 1,192 1,193 5,195 3,196 4,197 1,198 7,200 2,201 4,204 3,205 1,212 1,215 6,218 1,221 2,224 2,225 1,226 2,228 1,229 9,231 2,234 3,241 8,246 6,250 1,251 2,253 1,254 4,256 2,260 6,265 3,270 3,273 682,274 15.085,275 15.085,276 15.085,277 15.085,278 15.085,279 12.847,280 19.913,281 8.644,282 15.373,283 12.289,284 12.289,285 12.289,286 12.289,287 12.289,288 8.981,289 27.911,290 4.085,291 12.768,292 3.987,293 1.905,294 1.164,295 0.85,296 0.471,297 0.471,298 3.864,300 1,301 1,302 1,303 459,304 2.55,307 188.041,311 97.847,314 1.505,315 17.234,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 49,327 216,328 4.654,329 3.315,330 6.835,331 4.185,332 3.212,333 4.616,334 0.657,335 11.231,336 3.13,337 4.233,338 3.028,339 6.068,340 3.843,341 2.859,342 3.881,344 8.752,345 2.814,346 3.902,347 2.721,348 5.795,349 3.492,350 2.534,351 3.408,353 7.836,354 2.428,355 3.459,356 2.347,357 5.097,358 3.094,359 2.107,360 2.861,362 5.918,363 2.085,364 3.445,365 2.209,366 5.009,367 2.984,368 2.044,369 2.765,371 5.797,372 1.912,373 3.38,374 2.053,375 4.918,376 2.902,377 1.979,378 2.701,380 5.66,381 1.821,382 2.892,383 1.803,384 4.305,385 2.525,386 1.554,387 2.029,389 4.017,390 1.506,391 2.703,392 1.556,393 4.18,394 2.295,395 1.339,396 1.774,398 3.496,399 1.277,400 2.032,401 0.954,402 3.347,403 1.733,404 0.785,405 0.949,407 1.86,408 0.743,409 1.512,410 0.536,411 2.876,412 1.204,413 0.231,414 0.28,415 0.528,416 0.223,417 1.248,418 0.221,419 2.819,420 0.892,421 -0.056,422 -0.07,423 -0.135,424 -0.053,425 1.177,426 0.1,427 2.616,428 0.834,429 -0.126,430 -0.153,431 -0.32,432 -0.121,433 0.905,434 -0.286,435 2.37,436 0.474,437 -0.447,438 -0.57,439 -1.156,440 -0.41,441 0.654,442 -0.39,443 2.314,444 0.292,445 -0.663,446 -0.794,448 -1.718,449 -0.629,450 0.424,451 -0.623,452 2,453 0.072,454 -0.861,455 -1.076,457 -2.178,458 -0.804,459 10.9,460 0.474,461 0.72,462 0.031,463 32.5,464 1.413,465 17.5,466 0.761,467 15,468 0.652,469 17.357,470 0.755,471 24.5,472 0.57,473 22.271,474 0.968,475 6.398,476 0.278,477 4.554,478 0.198,479 0.211,481 0.413,485 1.154,486 1.271,487 0.876,488 0.985,489 1.321,490 0.908,491 0.545,492 0.865,493 0.67,494 0.833,495 0.407,496 0.779,497 1.026,498 1.44,499 1.021,500 1.257,501 0.888,502 1.157,503 0.767,504 1.197,505 1.096,506 1.289,507 0.643,508 1.245,509 1.504,510 0.827,511 1.182,512 0.847,513 1.33,514 0.95,515 0.669,516 0.812,517 0.953,518 0.991,519 0.811,520 1.008,521 0.811,522 0.866,523 0.86,524 0.884,525 0.851,526 0.879,527 0.769,528 1.09,529 1.005,530 1.151,531 0.818,532 1.117,533 5.5,534 0.099,535 3.111,536 2.188,537 1.782,538 0.639,539 0.386,540 0.349,541 0.25,542 0.171,543 5445,544 13443,545 2.016,546 46.5,547 9,548 5,550 1,551 5,555 1.656,556 1.84,557 3.198,558 2.675,559 1,560 1,562 1,564 61.894,565 1.439,566 3.521,567 4.263,568 4.577,569 4.955,570 4.955,571 2.703,572 4.176,573 4.498,574 3.359,575 849.706,576 7.738,577 9579.91,579 1,581 1,582 233.329,583 1.538,584 4.428,585 0.22,586 0.009,587 0.086,588 0.058,589 0.056,590 0.027,591 0.018,592 0.016,593 0.013,594 0.011,595 0.512,596 0.17,597 1,598 0.675,599 107.213,600 -0.172,601 -0.033,602 0.016,603 0.066,604 -0.297,605 0.066,606 0.375,607 0.248,608 0.259,609 0.205,610 0.362,611 0.214,612 -0.106,613 -0.3,614 -0.111,615 -0.221,616 -0.111,617 -0.175,618 0.224,619 -0.167,620 -0.139,621 -0.306,622 0.235,623 -0.277,624 -0.326,625 0.12,626 -0.166,627 0.063,628 -0.255,629 -0.015,630 0.14,631 0.1,632 0.019,633 0.015,634 0.042,635 0.003,636 -0.013,637 0.037,638 0.117,639 0.125,640 -0.018,641 0.136,642 0.039,643 -0.13,644 -0.051,645 -0.133,646 0.023,647 -0.109,648 1.525,649 1.986,650 0.696,651 17.233,652 0.995,653 1.137,654 3.156,655 9.959,656 0.66,657 3.258,658 3.611,659 3.871,660 4.127,661 4.331,662 4.344,663 4.344,664 4.443,665 4.533,666 4.554,667 5.645,668 0.624,669 308.43,670 3.258,671 4.812,672 5.666,673 6.555,674 7.425,675 8.316,676 9.191,677 10.083,678 10.962,679 11.855,680 14,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,718 43,719 17,720 1,721 25,723 45,724 17,725 13,726 3,727 3,729 3,730 4,734 3,741 13,742 4,753 1,754 1,757 20,758 6,759 5,760 6,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 3,810 23,811 2,816 1,817 1,836 12.5,837 8.6,838 4.972,839 2.386,840 3.378,841 1.482,842 1.008,843 4.053,844 10.379,845 3.541,846 4.234,847 4.852,848 5.46,849 6.03,850 6.278,851 6.551,852 6.929,853 7.315,854 7.431,855 1,856 38,857 8.428,859 3.501,860 7.674,861 16.102,863 12.939,865 2.174,866 50,869 1,870 176.567,871 90.072,872 134.162,877 90.072,878 176.567,879 134.162,880 26.476,881 2.106,882 94.223,883 80.138,884 28.835,885 4.227,886 164.795,888 176.567,889 224.234,893 178.282,897 39.528,898 114.623,899 68.367,901 176.567,902 134.162,903 90.072,906 176.567,907 26.12,908 63.952,909 18.011,910 116.151,911 176.567,912 134.162,913 90.072,915 0.595,916 0.35,917 0.187,918 0.1,919 18,920 9,921 0.067,922 3,923 1,924 1.125,925 3.436,926 183.876,927 0.125,928 16,929 104.042,933 15.504,934 6.012,935 3.056,936 1.294,937 134.162,938 8.155,939 12.534,943 6.126,945 83.805,946 400.8,947 33.5,956 42.796,957 48.896,958 0.265,959 0.649,960 0.786,961 0.843,962 0.913,963 0.913,964 4.781,965 1.339,966 5.68,967 4.017,968 4.29,969 4.92,970 0.623,971 6.512,972 4.219,973 6.034,974 0.785,975 7.261,976 3.496,977 4.007,978 4.913,980 7.455,981 3.922,982 7.371,983 0.231,984 8.938,985 1.86,986 5.911,987 7.238,988 0.317,989 10.559,990 5.784,991 8.743,992 -0.056,993 10.67,994 0.528,995 6.382,996 8,998 12.317,999 6.249,1000 10.142,1001 -0.126,1002 12.438,1003 -0.135,1004 7.811,1005 9.85,1006 0.149,1007 14.971,1008 7.641,1009 11.562,1010 -0.447,1011 14.232,1012 -0.32,1013 8.638,1014 10.991,1016 17.094,1017 8.46,1018 13,1019 -0.663,1020 16.046,1021 -1.156,1022 9.885,1023 12.644,1024 0.067,1025 19.59,1026 9.675,1027 3.212,1028 -0.861,1029 17.877,1030 -1.718,1031 10.882,1032 13.979,1034 21.876,1035 10.658,1036 2.859,1037 11.231,1038 19.721,1039 -2.178,1040 12.059,1041 15.549,1042 0.03,1043 24.315,1044 11.807,1045 2.534,1046 8.752,1047 21.576,1048 4.616,1049 13.137,1050 16.979,1052 26.674,1053 12.865,1054 2.107,1055 7.836,1056 23.441,1057 3.881,1058 14.291,1059 18.517,1060 0.013,1061 29.095,1062 13.993,1063 2.044,1064 5.918,1065 25.314,1066 3.408,1067 15.407,1068 19.994,1070 31.485,1071 15.086,1072 1.979,1073 5.797,1074 27.193,1075 2.861,1076 16.555,1077 21.52,1078 0.006,1079 33.901,1080 16.208,1081 1.554,1082 5.66,1083 29.079,1084 2.765,1085 17.69,1086 23.021,1088 36.306,1089 17.318,1090 5345,1091 8545,1092 16.126,1093 28.364,1094 37.622,1095 37.687,1096 39.267,1097 37.315,1098 37.286,1099 50.529,1100 1.315,1101 110.191,1102 35.876,1103 5.488,1104 5.315,1105 6.178,1106 5.26,1107 5.212,1108 7.616,1109 1.315,1110 18.467,1111 5.13,1112 13.266,1113 1.505,1114 1.507,1115 1.571,1116 1.493,1117 1.491,1118 2.021,1119 0.053,1120 4.408,1121 1.435,1122 4.075,1123 4.115,1124 4.049,1125 3.966,1126 5.321,1127 3.98,1128 3.937,1129 3.971,1130 3.879,1131 3.87,1132 4.982,1133 3.869,1134 3.551,1135 3.62,1136 3.48,1137 3.364,1138 4.819,1139 3.386,1140 3.311,1141 3.392,1142 3.144,1143 3.169,1144 4.742,1145 3.15,1146 3.204,1147 3.301,1148 3.053,1149 2.99,1150 4.228,1151 2.989,1152 3.13,1153 3.231,1154 3.009,1155 2.87,1156 4.059,1157 2.894,1158 3.023,1159 3.152,1160 2.81,1161 2.705,1162 4.002,1163 2.722,1164 2.869,1165 2.987,1166 2.655,1167 2.665,1168 3.923,1169 2.645,1170 0.186,1171 0.133,1172 0.273,1173 0.167,1174 0.128,1175 4.654,1176 0.185,1177 3.315,1178 0.026,1179 6.835,1180 0.449,1181 4.185,1182 0.125,1183 3.212,1184 4.616,1185 0.657,1186 11.231,1187 3.13,1188 2.001,1189 1.97,1190 2.08,1191 2.134,1192 1.24,1193 2.114,1194 1.928,1195 1.9,1196 2.031,1197 2.022,1198 1.167,1199 2.03,1200 1.485,1201 1.423,1202 1.665,1203 1.713,1204 0.766,1205 1.701,1206 1.335,1207 1.262,1208 1.629,1209 1.537,1210 0.724,1211 1.58,1212 1.192,1213 1.1,1214 1.537,1215 1.458,1216 0.559,1217 1.488,1218 1.047,1219 0.958,1220 1.357,1221 1.367,1222 0.41,1223 1.349,1224 0.946,1225 0.826,1226 1.278,1227 1.33,1228 0.226,1229 1.337,1230 0.919,1231 0.809,1232 1.257,1233 1.187,1234 0.121,1235 1.245,1236 3.932,1238 5.273,1240 6.812,1242 8.45,1244 10.139,1246 6.164,1250 11.61,1252 0.656,1253 3.46,1262 26.816,1263 61.894,1264 151.401,1265 183.29,1266 196.8,1267 213.065,1268 213.065,1269 31.016,1270 7.001,1271 102.74,1272 102.74,1273 18,1274 12.385,1275 4.17,1276 3.248,1277 36.907,1278 78,1279 68,1280 0.235,1281 169.007,1282 277.76,1283 404.136,1284 9655,1286 16.56,1287 0.72,1288 0.588,1289 16.56,1290 13.513,1291 10.952,1292 0.438,1293 0.297,1294 7.352,1295 10.621,1296 7.024,1297 5.925,1298 10.952,1299 7.437,1300 10.321,1301 0.287,1302 0.16,1303 10.321,1304 5.746,1305 8.473,1306 0.18,1307 0.085,1308 8.473,1309 3.997,1310 7.178,1311 0.118,1312 0.043,1313 7.178,1314 2.628,1315 5.52,1316 0.074,1317 0.023,1318 5.52,1319 1.751,1320 0.365,1321 68.016,1322 0.249,1323 22.428,1324 0.653,1325 122,1326 311.893,1327 131.88,1328 316.763,1329 445.29,1330 296,1331 144,1332 343.479,1333 153.659,1334 355.048,1335 516.17,1336 332,1337 6.921}
{0 CHEMBL23402,1 1.705,2 10.208,3 1.066,4 1.136,5 89.646,6 7.985,7 0.654,8 3.85,9 3.982,10 3.46,11 3.261,12 5.087,13 3.3,14 4.315,15 4.492,16 3.794,17 3.585,18 5.532,19 3.614,20 4.427,21 4.601,22 3.874,23 3.696,24 5.653,25 3.712,26 4.502,27 4.697,28 3.752,29 3.711,30 5.681,31 3.672,32 4.566,33 4.808,34 3.574,35 3.675,36 5.596,37 3.593,38 4.487,39 4.749,40 3.463,41 3.537,42 5.499,43 3.457,44 4.348,45 4.595,46 3.412,47 3.413,48 5.361,49 3.364,50 4.172,51 4.391,52 3.374,53 3.352,54 5.282,55 3.309,56 0.132,57 0.656,58 7.827,59 2.768,60 13.174,61 3.773,62 0.412,63 0.934,64 15.009,65 4.632,66 32.233,67 6.254,68 0.439,69 1.065,70 15.922,71 4.85,72 31.348,73 6.769,74 0.47,75 1.065,76 17.92,77 5.938,78 39.045,79 8.303,80 0.533,81 1.024,82 21.352,83 6.115,84 43.317,85 9.367,86 0.508,87 0.885,88 20.757,89 5.713,90 43.007,91 8.747,92 0.515,93 0.759,94 18.56,95 4.955,96 38.089,97 7.401,98 0.296,99 0.726,100 13.608,101 4.209,102 25.31,103 6.261,104 21,105 36,106 0.3,107 0.666,108 0.787,109 0.833,110 0.85,111 0.876,112 3.228,113 0.82,114 -2.43,115 -2.46,116 -2.41,119 36.6,124 2,125 1,139 3,141 3,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 1,169 2,170 3,172 3,173 3,175 1,178 1,181 3,182 3,184 1,185 3,187 1,189 1,192 1,195 3,196 5,197 1,198 1,200 2,205 1,206 1,207 1,209 1,210 1,220 1,221 2,224 2,225 1,228 1,233 2,234 2,245 1,246 3,250 1,251 1,253 1,256 1,259 2,260 2,262 1,263 1,265 1,270 1,273 754,274 16.273,275 16.273,276 16.273,277 16.273,278 16.273,279 14.213,280 22.895,281 9.454,282 16.967,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.461,289 31.769,290 4.328,291 13.654,292 3.652,293 1.57,294 0.885,295 0.622,296 0.525,297 0.378,298 3.91,301 1,302 1,303 519,304 2.828,307 202.314,311 104.615,314 1.458,315 24.417,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 53.5,327 245,328 4.541,329 3.171,330 6.502,331 4.021,332 3.079,333 4.491,334 0.86,335 10.175,336 2.9,337 4.267,338 3.114,339 6.173,340 3.859,341 2.905,342 3.911,343 0.86,344 9.172,345 2.767,346 3.77,347 2.697,348 5.313,349 3.354,350 2.41,351 3.232,352 0.657,353 6.885,354 2.276,355 3.543,356 2.626,357 5.22,358 3.154,359 2.235,360 2.856,362 6.487,363 2.046,364 3.429,365 2.196,366 5.062,367 2.969,368 2.044,369 2.811,371 5.803,372 1.884,373 3.373,374 2.061,375 4.971,376 2.885,377 1.965,378 2.696,380 5.756,381 1.804,382 2.918,383 1.911,384 4.391,385 2.534,386 1.594,387 2.058,389 4.254,390 1.495,391 2.454,392 1.255,393 3.71,394 1.919,395 1.008,396 1.434,398 2.565,399 0.918,400 2.032,401 1.059,402 3.284,403 1.719,404 0.805,405 0.955,407 1.761,408 0.729,409 1.815,410 0.925,411 3.014,412 1.545,413 0.656,414 0.736,415 1.223,416 0.58,417 1.471,418 0.888,419 2.756,420 1.189,421 0.332,422 0.366,423 0.463,424 0.282,425 1.338,426 0.228,427 2.641,428 0.93,429 0.021,430 0.027,431 0.049,432 0.019,433 0.976,434 -0.03,435 2.529,436 0.51,437 -0.407,438 -0.499,439 -0.812,440 -0.37,441 0.818,442 -0.294,443 2.39,444 0.44,445 -0.471,446 -0.588,448 -1.154,449 -0.426,450 0.639,451 -0.403,452 2.206,453 0.231,454 -0.706,455 -0.867,457 -1.804,458 -0.654,459 10.967,460 0.457,461 0.571,462 0.024,463 35.5,464 1.479,465 18.5,466 0.771,467 17,468 0.708,469 15.147,470 0.631,471 26.233,472 0.64,473 25.602,474 1.067,475 7.297,476 0.304,477 4.304,478 0.179,479 0.164,481 0.365,485 1.082,486 1.503,487 0.771,488 1.148,489 1.218,490 0.913,491 1.211,492 0.999,493 0.755,494 0.813,495 0.778,496 0.722,497 1.066,498 1.128,499 0.942,500 1.029,501 0.913,502 0.967,503 0.907,504 1.113,505 1.104,506 1.26,507 0.817,508 1.245,509 0.888,510 1.083,511 1.114,512 1.134,513 0.984,514 1.163,515 0.9,516 0.808,517 1.015,518 0.973,519 0.908,520 1.008,521 1.197,522 0.824,523 0.91,524 0.763,525 0.897,526 0.791,527 0.843,528 1.16,529 0.95,530 1.17,531 0.896,532 1.096,533 5.5,534 0.136,535 2.667,536 1.5,537 1.711,538 0.646,539 0.345,540 0.295,541 0.242,542 0.217,543 6310,544 19604,545 2.04,546 41.5,548 11,550 1,551 5,555 1.667,556 1.895,557 3.315,558 2.743,559 1,560 1,562 1,564 69.918,565 1.705,566 3.788,567 4.473,568 4.735,569 4.833,570 4.979,571 2.709,572 3.835,573 4.56,574 3.46,575 954.832,576 7.859,577 11355.9,578 1,579 1,582 219.66,583 1.459,584 4.507,585 0.212,586 0.009,587 0.074,588 0.039,589 0.053,590 0.025,591 0.015,592 0.013,593 0.011,594 0.011,595 0.462,596 0.17,597 1,598 0.921,599 114.568,600 -0.195,601 -0.249,602 0.023,603 -0.085,604 -0.29,605 0.016,606 -0.069,607 0.092,608 0.164,609 0.192,610 0.125,611 0.21,612 -0.048,613 0.027,614 -0.063,615 -0.05,616 -0.026,617 -0.063,618 0.024,619 -0.033,620 -0.203,621 -0.251,622 0.057,623 -0.289,624 -0.025,625 -0.123,626 -0.146,627 -0.14,628 -0.099,629 -0.161,630 0.013,631 0.1,632 -0.002,633 -0.005,634 -0.008,635 -0.003,636 -0.056,637 0.037,638 0.134,639 0.228,640 0.017,641 0.22,642 0.018,643 -0.152,644 -0.013,645 -0.151,646 -0.01,647 -0.097,648 1.596,649 1.828,650 0.667,651 19.25,652 1.019,653 1.146,654 1.196,655 1.43,656 0.653,657 3.296,658 3.611,659 3.871,660 4.111,661 4.344,662 4.357,663 4.369,664 4.394,665 4.543,666 4.575,667 6.047,668 0.639,669 327.39,670 3.296,671 4.828,672 5.673,673 6.547,674 7.408,675 8.284,676 9.15,677 10.027,678 10.896,679 11.773,680 17.1,684 2,685 1,690 4,694 2,695 4,696 4,700 6,702 17,711 2,712 1,716 2,718 41,719 17,720 1,721 26,723 43,724 15,725 12,726 3,727 3,729 3,730 4,741 12,742 3,753 1,754 1,757 17,758 9,759 5,760 9,764 7,769 0.667,770 2,774 1,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 1,817 1,818 2,829 4.9,834 2,836 12.667,837 7.883,838 5.417,839 2.028,840 3.404,841 1.48,842 0.984,843 4.712,844 10.499,845 3.57,846 4.22,847 4.834,848 5.43,849 6.019,850 6.249,851 6.532,852 6.847,853 7.273,854 7.35,855 0.857,856 38,857 8.75,859 3.604,860 7.847,861 16.267,863 12.575,865 2.347,866 56.333,870 141.253,871 85.435,872 150.947,874 22,877 85.435,878 163.253,879 150.947,880 21.766,881 2.106,882 94.223,883 96.924,884 50.907,885 4.227,886 129.482,888 141.253,889 236.382,890 22,893 142.969,894 22,897 17.953,898 131.561,899 85.153,901 141.253,902 172.947,903 85.435,906 141.253,907 26.193,908 59.242,909 18.011,910 154.936,911 141.253,912 172.947,913 85.435,915 0.577,916 0.346,917 0.187,918 0.103,919 17,920 8,921 0.116,922 5,923 1,924 1.125,925 3.591,926 190.566,927 0.125,928 16,929 110.039,933 16.33,934 6.925,935 3.54,936 0.781,937 172.947,938 7.087,939 16.547,943 3.135,945 83.805,946 399.635,947 34.5,956 41.785,957 46.983,958 0.318,959 0.707,960 0.835,961 0.884,962 0.902,963 0.929,964 4.79,965 1.008,966 5.659,967 4.254,968 4.29,969 4.905,970 1.573,971 6.457,972 4.155,973 6.015,974 0.805,975 7.213,976 2.565,977 3.892,978 4.808,980 7.322,981 3.711,982 7.334,983 0.656,984 8.86,985 1.761,986 5.878,987 7.19,988 1.27,989 10.384,990 5.628,991 8.69,992 0.332,993 10.561,994 1.223,995 6.256,996 7.878,998 12.037,999 5.955,1000 10.074,1001 0.021,1002 12.296,1003 0.463,1004 7.722,1005 9.755,1006 1.022,1007 14.625,1008 7.367,1009 11.478,1010 -0.407,1011 14.054,1012 0.049,1013 8.471,1014 10.833,1016 16.631,1017 8.061,1018 12.897,1019 -0.471,1020 15.83,1021 -0.812,1022 9.723,1023 12.494,1024 0.818,1025 19.044,1026 9.264,1027 3.079,1028 -0.706,1029 17.62,1030 -1.154,1031 10.658,1032 13.775,1034 21.212,1035 10.14,1036 2.905,1037 10.175,1038 19.421,1039 -1.804,1040 11.82,1041 15.338,1042 0.65,1043 23.557,1044 11.253,1045 2.41,1046 9.172,1047 21.232,1048 4.491,1049 12.844,1050 16.724,1052 25.797,1053 12.218,1054 2.235,1055 6.885,1056 23.051,1057 3.911,1058 13.97,1059 18.244,1060 0.511,1061 28.116,1062 13.292,1063 2.044,1064 6.487,1065 24.877,1066 3.232,1067 15.038,1068 19.683,1070 30.39,1071 14.301,1072 1.965,1073 5.803,1074 26.708,1075 2.856,1076 16.151,1077 21.185,1078 0.399,1079 32.7,1080 15.359,1081 1.594,1082 5.756,1083 28.545,1084 2.811,1085 17.24,1086 22.651,1088 34.99,1089 16.389,1090 6195,1091 11056,1092 17.107,1093 26.756,1094 38.055,1095 38.978,1096 39.894,1097 38.005,1098 38.109,1099 51.144,1100 4.755,1101 109.191,1102 35.399,1103 5.378,1104 5.171,1105 6.071,1106 5.103,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.9,1112 12.642,1113 1.464,1114 1.499,1115 1.534,1116 1.462,1117 1.466,1118 1.967,1119 0.183,1120 4.2,1121 1.361,1122 4.037,1123 4.087,1124 4.018,1125 3.875,1126 5.342,1127 3.902,1128 3.913,1129 3.936,1130 3.871,1131 3.8,1132 4.99,1133 3.817,1134 3.523,1135 3.593,1136 3.453,1137 3.329,1138 4.932,1139 3.35,1140 3.323,1141 3.372,1142 3.185,1143 3.028,1144 4.858,1145 3.055,1146 3.181,1147 3.273,1148 3.036,1149 2.897,1150 4.604,1151 2.917,1152 3.114,1153 3.221,1154 2.992,1155 2.859,1156 4.287,1157 2.849,1158 3.099,1159 3.206,1160 2.884,1161 2.779,1162 4.155,1163 2.821,1164 2.806,1165 2.883,1166 2.679,1167 2.648,1168 4.05,1169 2.645,1170 0.175,1171 0.122,1172 0.25,1173 0.155,1174 0.118,1175 4.541,1176 0.173,1177 3.171,1178 0.033,1179 6.502,1180 0.391,1181 4.021,1182 0.112,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.9,1188 1.926,1189 1.887,1190 1.993,1191 2.114,1192 1.1,1193 2.076,1194 1.863,1195 1.838,1196 1.929,1197 1.996,1198 0.977,1199 1.982,1200 1.453,1201 1.391,1202 1.624,1203 1.689,1204 0.716,1205 1.675,1206 1.238,1207 1.178,1208 1.59,1209 1.567,1210 0.586,1211 1.57,1212 1.137,1213 1.043,1214 1.533,1215 1.453,1216 0.556,1217 1.478,1218 1.061,1219 0.972,1220 1.301,1221 1.382,1222 0.226,1223 1.371,1224 0.98,1225 0.873,1226 1.258,1227 1.352,1228 0.133,1229 1.341,1230 0.805,1231 0.733,1232 1.093,1233 1.015,1235 1.043,1236 3.97,1238 5.283,1240 6.801,1242 8.416,1244 10.08,1246 3.208,1250 11.375,1252 0.413,1253 3.237,1254 10.55,1262 26.213,1263 69.918,1264 155.295,1265 183.395,1266 194.15,1267 198.15,1268 204.15,1269 32.602,1270 7.095,1271 134.09,1272 134.09,1273 18,1274 12.312,1275 4.17,1276 3.248,1277 39.368,1278 89,1279 76,1280 0.221,1281 164.609,1282 271.74,1283 393.405,1284 11138,1286 17.104,1287 0.713,1288 0.553,1289 17.104,1290 13.277,1291 11.601,1292 0.446,1293 0.273,1294 6.925,1295 10.9,1296 6.738,1297 5.641,1298 11.601,1299 7.109,1300 10.25,1301 0.285,1302 0.137,1303 10.25,1304 4.92,1305 8.663,1306 0.184,1307 0.072,1308 8.663,1309 3.368,1310 7.169,1311 0.119,1312 0.037,1313 7.169,1314 2.206,1315 5.751,1316 0.076,1317 0.019,1318 5.751,1319 1.441,1320 0.347,1321 74.546,1322 0.242,1323 23.447,1324 0.602,1325 124,1326 419.009,1327 141.691,1328 400.49,1329 550.7,1330 376,1331 145,1332 411.387,1333 162.86,1334 416.847,1335 605.19,1336 388,1337 4.64}
{0 CHEMBL23416,1 1.623,2 9.955,3 2.543,4 6.466,5 89.466,6 8.508,7 0.708,8 3.732,9 3.87,10 3.399,11 3.277,12 4.936,13 3.27,14 4.189,15 4.364,16 3.786,17 3.654,18 5.394,19 3.622,20 4.388,21 4.569,22 3.841,23 3.78,24 5.51,25 3.729,26 4.476,27 4.691,28 3.704,29 3.73,30 5.627,31 3.641,32 4.522,33 4.805,34 3.46,35 3.61,36 5.513,37 3.502,38 4.298,39 4.564,40 3.337,41 3.493,42 5.282,43 3.366,44 4.148,45 4.391,46 3.239,47 3.393,48 5.155,49 3.276,50 4.05,51 4.314,52 3.243,53 3.263,54 5.069,55 3.146,56 0.075,57 0.605,58 6.345,59 2.659,60 11.455,61 3.452,62 0.202,63 0.902,64 11.878,65 4.873,66 21.687,67 6.487,68 0.185,69 1.044,70 16.732,71 5.709,72 20.685,73 7.591,74 0.305,75 1.091,76 18.818,77 6.545,78 35.886,79 8.962,80 0.417,81 1.034,82 22.119,83 5.918,84 47.402,85 8.692,86 0.281,87 0.824,88 18.172,89 5.92,90 32.275,91 8.388,92 0.21,93 0.714,94 16.003,95 4.902,96 26.644,97 6.774,98 0.165,99 0.628,100 14.069,101 4.72,102 22.247,103 6.718,104 17,105 34,106 0.291,107 0.685,108 0.805,109 0.844,110 0.844,111 0.844,112 3.147,113 0.886,114 -4.41,115 -4.34,116 -4.09,119 40.5,120 1,125 1,139 4,140 3,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 5,169 2,170 4,172 3,173 3,175 4,178 7,180 1,182 3,187 4,189 4,191 1,192 1,193 5,195 3,196 4,197 1,198 5,200 2,201 2,204 3,205 1,212 2,215 4,218 1,221 2,224 2,225 1,226 2,228 1,229 6,231 2,234 2,241 5,246 4,250 1,251 2,253 1,254 1,256 2,260 5,265 2,268 2,270 2,273 620,274 14.585,275 14.585,276 14.585,277 14.585,278 14.585,279 12.4,280 18.495,281 8.455,282 15.013,283 11.811,284 11.811,285 11.811,286 11.811,287 11.811,288 8.59,289 25.954,290 4.019,291 12.572,292 3.587,293 1.394,294 0.723,295 0.507,296 0.507,297 0.507,298 3.825,299 1,300 1,301 1,302 1,303 469,304 2.449,307 179.896,311 94.266,314 1.417,315 19.094,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47.333,327 219,328 4.654,329 3.314,330 6.835,331 4.185,332 3.212,333 4.616,334 0.657,335 11.231,336 3.13,337 4.02,338 2.955,339 5.805,340 3.595,341 2.642,342 3.617,344 7.884,345 2.513,346 3.896,347 2.761,348 5.406,349 3.466,350 2.514,351 3.406,353 7.122,354 2.391,355 3.46,356 2.479,357 5.096,358 3.021,359 2.118,360 2.861,362 5.923,363 1.916,364 3.434,365 2.181,366 5.009,367 2.943,368 2.026,369 2.746,371 5.802,372 1.825,373 3.354,374 2.046,375 4.884,376 2.886,377 1.963,378 2.659,380 5.653,381 1.746,382 2.707,383 1.638,384 4.244,385 2.313,386 1.361,387 1.777,389 3.545,390 1.291,391 2.5,392 1.077,393 3.414,394 2,395 1,396 1.5,398 2.275,399 1,400 2.044,401 1,402 3.346,403 1.76,404 0.834,405 0.976,407 1.944,408 0.761,409 1.454,410 0.557,411 2.84,412 1.063,413 0.149,414 0.185,415 0.356,416 0.129,417 1.197,418 0.164,419 2.809,420 0.837,421 -0.11,422 -0.136,423 -0.286,424 -0.103,425 1.062,426 0.088,427 2.586,428 0.603,429 -0.27,430 -0.337,431 -0.617,432 -0.205,433 0.841,434 -0.295,435 2.17,436 0.421,437 -0.48,438 -0.596,439 -1.187,440 -0.425,441 0.5,442 -0.524,443 2,444 0.114,445 -0.794,446 -0.973,448 -2.022,449 -0.697,450 0.442,451 -0.803,452 2,454 -1,455 -1.34,457 -2.837,458 -0.892,459 10.614,460 0.482,461 0.63,462 0.029,463 32.25,464 1.466,465 17.5,466 0.795,467 14.75,468 0.67,469 14.849,470 0.675,471 22.986,472 0.621,473 21.556,474 0.98,475 6.374,476 0.29,477 4.167,478 0.189,479 0.19,481 0.377,485 1.017,486 1.236,487 0.631,488 0.807,489 1.173,490 0.771,491 0.585,492 0.92,493 0.599,494 0.811,495 0.443,496 0.795,497 1.108,498 1.331,499 1.001,500 1.119,501 0.931,502 1.056,503 0.772,504 1.195,505 0.992,506 1.292,507 0.7,508 1.283,509 1.168,510 0.834,511 0.806,512 0.783,513 1.202,514 0.926,515 0.721,516 0.766,517 0.818,518 0.914,519 0.848,520 0.98,521 1.08,522 0.955,523 1.096,524 1.047,525 1.148,526 1.083,527 0.673,528 0.968,529 0.689,530 0.888,531 0.697,532 0.893,533 5,534 0.124,535 2.667,536 1.75,537 1.591,538 0.639,539 0.303,540 0.326,541 0.209,542 0.107,543 5008,544 16102,545 2.043,546 40.5,547 3,548 6,550 1,551 5,555 1.642,556 1.886,557 3.251,558 2.779,559 1,560 1,562 1,564 60.033,565 1.623,566 3.815,567 4.486,568 4.703,569 4.703,570 4.703,571 2.716,572 3.971,573 4.43,574 3.385,575 781.901,576 7.595,577 8536.49,578 1,579 1,581 1,582 192.75,583 1.495,584 4.376,585 0.208,586 0.014,587 0.078,588 0.05,589 0.055,590 0.029,591 0.015,592 0.018,593 0.012,594 0.008,595 0.488,596 0.17,597 1,598 0.65,599 101.349,600 -0.21,601 -0.03,602 -0.011,603 0.094,604 -0.308,605 0.084,606 0.235,607 0.195,608 0.126,609 0.128,610 0.276,611 0.119,612 -0.193,613 -0.259,614 -0.13,615 -0.166,616 -0.134,617 -0.136,618 0.124,619 -0.172,620 -0.179,621 -0.361,622 0.159,623 -0.349,624 -0.215,625 0.119,626 -0.046,627 0.105,628 -0.228,629 0.027,630 0.087,631 0.145,632 0.029,633 0.067,634 0.013,635 0.044,636 -0.194,637 -0.017,638 -0.148,639 -0.055,640 -0.244,641 -0.08,642 0.129,643 -0.087,644 0.218,645 0.119,646 0.169,647 0.155,648 1.538,649 1.945,650 0.727,651 17.273,652 1.01,653 1.135,654 3.181,655 10.116,656 0.695,657 3.219,658 3.555,659 3.807,660 4.06,661 4.277,662 4.29,663 4.277,664 4.394,665 4.466,666 4.431,667 5.658,668 0.665,669 314.81,670 3.219,671 4.762,672 5.609,673 6.491,674 7.354,675 8.24,676 9.111,677 9.999,678 10.875,679 11.766,680 16.2,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,717 1,718 37,719 17,720 1,721 24,723 39,724 15,725 13,726 2,727 4,729 3,730 4,731 1,734 1,741 13,742 2,753 1,754 1,757 15,758 6,759 5,760 7,761 1,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,807 1,810 22,811 2,816 1,817 1,828 1,836 11.667,837 6.826,838 4.778,839 1.97,840 3.316,841 1.48,842 1.021,843 4.007,844 10.217,845 3.512,846 4.19,847 4.804,848 5.414,849 5.996,850 6.239,851 6.52,852 6.908,853 7.282,854 7.359,855 0.857,856 35,857 8.031,859 3.366,860 7.793,861 15.114,863 12.126,865 2.293,866 50.444,870 117.711,871 79.027,872 134.162,873 39.149,877 79.027,878 156.86,879 134.162,880 8.825,881 2.106,882 103.699,883 80.138,884 25.964,885 4.227,886 105.94,887 39.149,888 117.711,889 213.189,891 39.149,893 119.426,897 21.877,898 121.229,899 107.516,901 117.711,902 134.162,903 118.176,906 117.711,907 23.249,908 55.778,909 18.011,910 155.3,911 117.711,912 134.162,913 118.176,915 0.59,916 0.342,917 0.182,918 0.1,919 17,920 8,921 0.077,922 3,923 1,924 1.125,925 3.412,926 170.954,927 0.125,928 16,929 94.107,933 14.818,934 5.949,935 3.083,936 1.252,937 134.162,938 9.287,939 12.426,943 4.165,945 83.805,946 370.048,947 32.5,956 37.353,957 42.01,958 0.311,959 0.732,960 0.861,961 0.903,962 0.903,963 0.903,964 4.738,965 1,966 5.609,967 3.545,968 4.234,969 4.875,970 0.623,971 6.422,972 4.12,973 5.98,974 0.834,975 7.174,976 2.275,977 3.892,978 4.808,980 7.334,981 3.711,982 7.307,983 0.149,984 8.836,985 1.944,986 5.832,987 7.179,988 0.317,989 10.437,990 5.639,991 8.669,992 -0.11,993 10.555,994 0.356,995 6.256,996 7.899,998 12.192,999 6.027,1000 10.06,1001 -0.27,1002 12.313,1003 -0.286,1004 7.707,1005 9.777,1006 0.149,1007 14.851,1008 7.462,1009 11.473,1010 -0.48,1011 14.099,1012 -0.617,1013 8.503,1014 10.895,1016 16.989,1017 8.241,1018 12.905,1019 -0.794,1020 15.908,1021 -1.187,1022 9.761,1023 12.566,1024 0.067,1025 19.495,1026 9.48,1027 3.212,1028 -1,1029 17.736,1030 -2.022,1031 10.744,1032 13.894,1034 21.799,1035 10.449,1036 2.642,1037 11.231,1038 19.581,1039 -2.837,1040 11.929,1041 15.476,1042 0.03,1043 24.249,1044 11.614,1045 2.514,1046 7.884,1047 21.439,1048 4.616,1049 13.004,1050 16.907,1052 26.621,1053 12.672,1054 2.118,1055 7.122,1056 23.308,1057 3.617,1058 14.164,1059 18.454,1060 0.013,1061 29.051,1062 13.812,1063 2.026,1064 5.923,1065 25.186,1066 3.406,1067 15.283,1068 19.936,1070 31.45,1071 14.912,1072 1.963,1073 5.802,1074 27.073,1075 2.861,1076 16.439,1077 21.469,1078 0.006,1079 33.873,1080 16.046,1081 1.361,1082 5.653,1083 28.965,1084 2.746,1085 17.579,1086 22.975,1088 36.284,1089 17.165,1090 4888,1091 8869,1092 15.72,1093 25.699,1094 35.964,1095 36.248,1096 37.092,1097 35.796,1098 35.64,1099 48.689,1100 1.315,1101 103.468,1102 33.401,1103 5.481,1104 5.314,1105 6.249,1106 5.26,1107 5.212,1108 7.616,1109 1.315,1110 18.466,1111 5.13,1112 11.595,1113 1.498,1114 1.51,1115 1.545,1116 1.491,1117 1.485,1118 2.029,1119 0.055,1120 4.311,1121 1.392,1122 4.071,1123 4.112,1124 4.054,1125 3.96,1126 5.321,1127 3.976,1128 3.895,1129 3.926,1130 3.979,1131 3.83,1132 4.982,1133 3.825,1134 3.546,1135 3.613,1136 3.515,1137 3.362,1138 4.949,1139 3.384,1140 3.217,1141 3.309,1142 3.34,1143 3.009,1144 4.806,1145 3.01,1146 3.137,1147 3.232,1148 3.051,1149 2.896,1150 4.416,1151 2.914,1152 3.023,1153 3.152,1154 2.915,1155 2.735,1156 4.177,1157 2.723,1158 2.854,1159 2.925,1160 2.799,1161 2.707,1162 4.024,1163 2.715,1164 2.803,1165 2.863,1166 2.687,1167 2.655,1168 3.815,1169 2.652,1170 0.194,1171 0.138,1172 0.285,1173 0.174,1174 0.134,1175 4.654,1176 0.192,1177 3.314,1178 0.027,1179 6.835,1180 0.468,1181 4.185,1182 0.13,1183 3.212,1184 4.616,1185 0.657,1186 11.231,1187 3.13,1188 1.998,1189 1.967,1190 2.063,1191 2.133,1192 1.228,1193 2.112,1194 1.875,1195 1.85,1196 1.963,1197 1.969,1198 1.058,1199 1.976,1200 1.478,1201 1.418,1202 1.627,1203 1.701,1204 0.734,1205 1.69,1206 1.193,1207 1.104,1208 1.529,1209 1.454,1210 0.559,1211 1.482,1212 1.044,1213 0.963,1214 1.275,1215 1.362,1216 0.218,1217 1.344,1218 0.946,1219 0.826,1220 1.255,1221 1.328,1222 0.2,1223 1.329,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1228 0.048,1229 1.107,1230 0.757,1231 0.703,1232 0.96,1233 0.973,1235 0.984,1236 3.892,1238 5.22,1240 6.749,1242 8.375,1244 10.054,1246 1.971,1247 5.874,1250 11.539,1252 0.611,1253 3.32,1262 24.59,1263 60.033,1264 141.166,1265 165.995,1266 173.995,1267 173.995,1268 173.995,1269 29.154,1270 6.902,1271 102.74,1272 102.74,1273 18,1274 12.297,1275 4.17,1276 3.248,1277 34.625,1278 74,1279 80,1280 0.231,1281 158.155,1282 258.37,1283 377.658,1284 8522,1285 2.7,1286 15.69,1287 0.713,1288 0.578,1289 16.19,1290 12.724,1291 10.542,1292 0.439,1293 0.295,1294 6.654,1295 9.899,1296 6.434,1297 5.355,1298 10.83,1299 7.088,1300 9.791,1301 0.288,1302 0.158,1303 10.199,1304 5.371,1305 8.021,1306 0.182,1307 0.084,1308 8.309,1309 3.714,1310 6.765,1311 0.119,1312 0.042,1313 6.931,1314 2.402,1315 5.233,1316 0.074,1317 0.022,1318 5.469,1319 1.571,1320 0.362,1321 68.728,1322 0.252,1323 21.732,1324 0.637,1325 116,1326 330.096,1327 141.4,1328 361.329,1329 491.02,1330 336,1331 136,1332 349.342,1333 155.251,1334 367.382,1335 534.67,1336 345,1337 7.218}
{0 CHEMBL23425,1 1.64,2 10,3 2.318,4 5.373,5 84.473,6 8.526,7 0.739,8 3.677,9 3.808,10 3.409,11 3.27,12 4.884,13 3.234,14 4.124,15 4.29,16 3.771,17 3.631,18 5.327,19 3.562,20 4.272,21 4.45,22 3.82,23 3.704,24 5.449,25 3.617,26 4.287,27 4.509,28 3.609,29 3.6,30 5.402,31 3.465,32 4.179,33 4.427,34 3.427,35 3.448,36 5.21,37 3.317,38 4.044,39 4.279,40 3.345,41 3.321,42 5.079,43 3.189,44 3.863,45 4.096,46 3.091,47 3.194,48 4.809,49 3.071,50 3.765,51 3.995,52 3.094,53 3.067,54 4.846,55 2.996,56 0.055,57 0.602,58 6.346,59 2.802,60 10.242,61 3.326,62 0.18,63 0.916,64 13.56,65 5.367,66 19.504,67 6.32,68 0.233,69 1.046,70 16.019,71 5.651,72 22.925,73 6.603,74 0.253,75 0.974,76 19.001,77 6.555,78 30.75,79 8.049,80 0.192,81 0.831,82 15.247,83 5.297,84 27.424,85 6.842,86 0.219,87 0.756,88 17.175,89 4.578,90 24.01,91 5.565,92 0.104,93 0.602,94 12.405,95 4.348,96 13.233,97 5.477,98 0.098,99 0.558,100 9.361,101 3.165,102 13.909,103 4.388,104 10,105 32,106 0.298,107 0.676,108 0.792,109 0.834,110 0.834,111 0.834,112 3.102,113 0.958,114 -4.15,115 -4.09,116 -3.87,119 40,120 1,125 1,139 4,140 1,141 1,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 5,169 2,172 3,173 3,178 8,181 3,182 1,184 1,185 1,189 6,192 1,193 1,195 3,196 3,197 1,200 2,201 1,205 1,207 2,209 1,210 1,215 1,221 6,226 1,231 1,234 3,246 6,251 3,256 3,260 5,265 2,270 2,273 544,274 14.033,275 14.033,276 14.033,277 14.033,278 14.033,279 11.92,280 14.029,281 8.242,282 14.507,283 11.354,284 11.354,285 11.354,286 11.354,287 11.354,288 8.221,289 13.481,290 3.965,291 12.164,292 3.489,293 1.406,294 0.764,295 0.536,296 0.536,297 0.536,298 3.784,300 1,301 1,302 1,303 452,304 2.345,307 172.441,311 89.815,314 1.429,315 16.769,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 45,327 210,328 4.541,329 4.435,330 6.502,331 4.02,332 3.079,333 4.491,334 3.272,335 10.175,336 2.897,337 4.016,338 3.153,339 5.447,340 3.581,341 2.632,342 3.616,344 7.253,345 2.513,346 3.768,347 2.944,348 5.277,349 3.343,350 2.399,351 3.232,353 6.783,354 2.253,355 3.444,356 2.512,357 5.062,358 3.032,359 2.104,360 2.811,362 5.811,363 1.933,364 3.422,365 2.277,366 4.973,367 2.95,368 2.02,369 2.744,371 5.781,372 1.871,373 3.338,374 2.099,375 4.873,376 2.866,377 1.938,378 2.645,380 5.619,381 1.791,382 2.5,383 1.893,384 3.71,385 2,386 1.009,387 1.5,389 2.565,390 1,391 2.454,392 1.058,393 3.414,394 1.919,395 1,396 1.435,398 2.275,399 0.917,400 1.964,401 1,402 3.266,403 1.61,404 0.771,405 0.888,407 1.81,408 0.63,409 1.419,410 0.864,411 2.742,412 1,413 0.087,414 0.111,415 0.211,416 0.079,417 1.068,418 0.238,419 2.57,420 0.696,421 -0.233,422 -0.288,423 -0.526,424 -0.212,425 0.957,426 -0.284,427 2.432,428 0.462,429 -0.448,430 -0.578,431 -1.155,432 -0.407,433 0.59,434 -0.299,435 2.106,436 0.148,437 -0.778,438 -0.936,439 -1.975,440 -0.713,441 0.5,442 -0.496,443 2,444 0.11,445 -0.816,446 -1.11,448 -2.38,449 -0.76,450 0.44,451 -0.735,452 1.691,454 -1,455 -1.405,457 -2.876,458 -1,459 10.233,460 0.487,461 0.558,462 0.027,463 31.5,464 1.5,465 17.5,466 0.833,467 14,468 0.667,469 13.433,470 0.64,471 21.567,472 0.616,473 19.624,474 0.934,475 5.953,476 0.283,477 4.161,478 0.198,479 0.127,481 0.342,485 1.1,486 1.163,487 0.74,488 0.803,489 1.294,490 0.781,491 0.551,492 0.958,493 0.938,494 1.011,495 0.453,496 0.857,497 1.006,498 1.088,499 1.169,500 1.151,501 0.918,502 1.072,503 0.656,504 1.008,505 1.187,506 1.255,507 0.649,508 1.16,509 1.032,510 0.918,511 0.877,512 0.849,513 1.036,514 0.96,515 1.308,516 1.056,517 1.419,518 1.265,519 1.271,520 1.055,521 0.814,522 1,523 1.035,524 1.06,525 0.683,526 0.981,527 0.886,528 1.124,529 0.651,530 0.87,531 0.847,532 0.899,533 5,534 0.124,535 2.222,536 1.063,537 1.44,538 0.41,539 0.221,540 0.311,541 0.164,542 0.107,543 4651,544 13221,545 2.074,546 40,547 3,548 6,550 1,551 4,555 1.626,556 1.938,557 3.278,558 1.968,560 1,562 1,564 57.409,565 1.64,566 3.723,567 4.365,568 4.593,569 4.593,570 4.593,571 2.72,572 3.88,573 4.364,574 3.401,575 714.26,576 7.447,577 7655.78,578 1,579 1,581 1,582 179.525,583 1.418,584 4.322,585 0.217,586 0.014,587 0.069,588 0.034,589 0.06,590 0.02,591 0.013,592 0.019,593 0.01,594 0.008,595 0.466,596 0.5,597 1,598 0.61,599 95.864,600 -0.211,601 -0.032,602 0.035,603 0.107,604 -0.327,605 0.08,606 0.352,607 0.129,608 0.078,609 0.044,610 0.321,611 0.082,612 0.036,613 0.013,614 -0.12,615 -0.113,616 -0.053,617 -0.165,618 0.271,619 -0.024,620 -0.073,621 -0.173,622 0.258,623 -0.161,624 -0.07,625 0.013,626 0.072,627 0.1,628 -0.03,629 0.028,630 -0.234,631 -0.042,632 -0.146,633 -0.112,634 -0.263,635 -0.06,636 -0.029,637 -0.082,638 -0.015,639 -0.017,640 0.026,641 0.058,642 0.011,643 -0.201,644 0.141,645 -0.011,646 0.105,647 0.068,648 1.559,649 1.809,650 0.762,651 16.29,652 1.006,653 1.131,654 2.918,655 8.515,656 0.707,657 3.178,658 3.497,659 3.714,660 3.951,661 4.205,662 4.159,663 4.174,664 4.277,665 4.369,666 4.317,667 5.72,668 0.669,669 298.41,670 3.178,671 4.71,672 5.541,673 6.409,674 7.258,675 8.127,676 8.983,677 9.853,678 10.714,679 11.586,680 17.1,684 2,690 4,694 2,695 5,696 4,700 5,702 17,711 2,718 35,719 17,720 1,721 23,723 37,724 14,725 12,726 2,727 4,729 3,730 4,734 1,741 12,742 2,753 1,754 1,757 14,758 6,759 4,760 7,761 1,764 6,769 0.667,774 1,776 1,781 3,785 1,802 2,803 1,804 1,806 1,810 21,811 2,816 1,819 1,836 10.833,837 6.55,838 4.556,839 1.847,840 3.298,841 1.484,842 1.017,843 3.799,844 10.109,845 3.481,846 4.143,847 4.734,848 5.334,849 5.941,850 6.131,851 6.427,852 6.799,853 7.204,854 7.214,855 0.857,856 31,857 7.677,859 3.205,860 7.738,861 14.529,863 11.607,865 2.238,866 47,870 117.711,871 104.476,872 132.936,876 32.22,877 72.257,878 117.711,879 132.936,880 8.825,881 0.9,882 103.699,883 78.913,884 20.4,885 4.227,886 138.159,888 117.711,889 205.193,891 32.22,893 119.426,897 25.572,898 110.764,899 67.142,900 32.22,901 117.711,902 132.936,903 104.476,906 117.711,907 48.699,908 55.778,910 132.936,911 117.711,912 132.936,913 104.476,915 0.586,916 0.329,917 0.173,918 0.101,919 16,920 7,921 0.081,922 3,923 1,924 1.125,925 3.403,926 157.042,927 0.125,928 16,929 88.239,930 1,933 13.897,934 5.74,935 3.165,936 0.912,937 132.936,938 10.042,939 16.62,943 3.618,945 65.794,946 355.124,947 31.5,956 35.222,957 39.571,958 0.32,959 0.726,960 0.851,961 0.896,962 0.896,963 0.896,964 4.694,965 1,966 5.525,967 2.565,968 4.174,969 4.828,970 3.11,971 6.293,972 4.042,973 5.923,974 0.771,975 7.059,976 2.275,977 3.761,978 4.691,980 7.081,981 3.586,982 7.235,983 0.087,984 8.684,985 1.81,986 5.733,987 7.104,988 5.44,989 10.141,990 5.481,991 8.581,992 -0.233,993 10.361,994 0.211,995 6.066,996 7.744,998 11.738,999 5.766,1000 9.953,1001 -0.448,1002 12.073,1003 -0.526,1004 7.541,1005 9.654,1006 7.807,1007 14.336,1008 7.177,1009 11.345,1010 -0.778,1011 13.81,1012 -1.155,1013 8.245,1014 10.698,1016 16.322,1017 7.827,1018 12.755,1019 -0.816,1020 15.568,1021 -1.975,1022 9.506,1023 12.383,1024 10.177,1025 18.75,1026 9.03,1027 3.079,1028 -1,1029 17.342,1030 -2.38,1031 10.409,1032 13.65,1034 20.923,1035 9.874,1036 2.632,1037 10.175,1038 19.131,1039 -2.876,1040 11.576,1041 15.229,1042 12.548,1043 23.286,1044 10.985,1045 2.399,1046 7.253,1047 20.933,1048 4.491,1049 12.583,1050 16.612,1052 25.541,1053 11.93,1054 2.104,1055 6.783,1056 22.746,1057 3.616,1058 13.713,1059 18.144,1060 14.919,1061 27.878,1062 13.003,1063 2.02,1064 5.811,1065 24.569,1066 3.232,1067 14.774,1068 19.587,1070 30.17,1071 14,1072 1.938,1073 5.781,1074 26.399,1075 2.811,1076 15.891,1077 21.098,1078 17.29,1079 32.497,1080 15.059,1081 1.009,1082 5.619,1083 28.237,1084 2.744,1085 16.979,1086 22.57,1088 34.804,1089 16.084,1090 4506,1091 7752,1092 15.315,1093 24.728,1094 34.34,1095 37.46,1096 34.962,1097 34.036,1098 34.079,1099 46.945,1100 6.545,1101 96.565,1102 31.765,1103 5.363,1104 6.435,1105 5.916,1106 5.13,1107 5.079,1108 7.491,1109 6.545,1110 17.069,1111 4.897,1112 9.979,1113 1.493,1114 1.629,1115 1.52,1116 1.48,1117 1.482,1118 2.041,1119 0.285,1120 4.198,1121 1.381,1122 4.03,1123 4.079,1124 4.075,1125 3.913,1126 5.341,1127 3.907,1128 3.9,1129 3.927,1130 3.94,1131 3.82,1132 4.989,1133 3.831,1134 3.505,1135 3.567,1136 3.57,1137 3.384,1138 4.863,1139 3.359,1140 3.197,1141 3.266,1142 3.285,1143 3.087,1144 4.727,1145 3.052,1146 3.101,1147 3.22,1148 2.992,1149 2.794,1150 4.22,1151 2.822,1152 2.986,1153 3.078,1154 2.837,1155 2.773,1156 4.047,1157 2.771,1158 2.854,1159 2.925,1160 2.687,1161 2.735,1162 3.886,1163 2.715,1164 2.603,1165 2.719,1166 2.566,1167 2.411,1168 3.674,1169 2.375,1170 0.197,1171 0.193,1172 0.283,1173 0.175,1174 0.134,1175 4.541,1176 0.195,1177 4.435,1178 0.142,1179 6.502,1180 0.442,1181 4.02,1182 0.126,1183 3.079,1184 4.491,1185 3.272,1186 10.175,1187 2.897,1188 1.929,1189 1.899,1190 2.018,1191 2.104,1192 1.15,1193 2.067,1194 1.888,1195 1.852,1196 1.943,1197 1.969,1198 1.001,1199 1.992,1200 1.444,1201 1.396,1202 1.573,1203 1.646,1204 0.737,1205 1.64,1206 1.2,1207 1.134,1208 1.5,1209 1.396,1210 0.573,1211 1.445,1212 0.985,1213 0.88,1214 1.269,1215 1.376,1216 0.218,1217 1.358,1218 0.941,1219 0.854,1220 1.193,1221 1.209,1222 0.165,1223 1.236,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1229 1.107,1230 0.566,1231 0.476,1232 0.904,1233 0.889,1235 0.909,1236 3.85,1238 5.165,1240 6.673,1242 8.274,1244 9.923,1246 2.067,1250 11.345,1252 0.704,1255 1.691,1262 23.423,1263 57.409,1264 130.306,1265 152.77,1266 160.77,1267 160.77,1268 160.77,1269 25.341,1270 6.811,1271 103.6,1272 128.9,1273 18,1274 12.13,1275 4.17,1276 3.248,1277 32.418,1278 72,1279 73,1280 0.222,1281 151.361,1282 244.37,1283 361.08,1284 7763,1286 14.82,1287 0.706,1288 0.584,1289 15.173,1290 12.262,1291 10.114,1292 0.44,1293 0.319,1294 6.363,1295 9.311,1296 6.077,1297 5.077,1298 10.568,1299 7.343,1300 9.36,1301 0.293,1302 0.177,1303 9.937,1304 5.651,1305 7.485,1306 0.187,1307 0.099,1308 8.181,1309 3.954,1310 6.123,1311 0.12,1312 0.051,1313 6.752,1314 2.626,1315 5.137,1316 0.078,1317 0.03,1318 5.857,1319 1.998,1320 0.351,1321 67.483,1322 0.256,1323 21.037,1324 0.599,1325 110,1326 316.065,1327 142.496,1328 337.626,1329 467.53,1330 316,1331 127,1332 339.663,1333 155.782,1334 359.92,1335 523.43,1336 337,1337 4.585}
{0 CHEMBL23447,1 1.496,2 8.55,3 3.005,4 9.03,5 83.266,6 6.81,7 0.571,8 3.762,9 3.906,10 3.235,11 3.247,12 4.89,13 3.219,14 4.256,15 4.462,16 3.557,17 3.604,18 5.306,19 3.548,20 4.4,21 4.587,22 3.652,23 3.757,24 5.429,25 3.69,26 4.593,27 4.815,28 3.565,29 3.813,30 5.588,31 3.704,32 4.605,33 4.84,34 3.386,35 3.811,36 5.503,37 3.647,38 4.692,39 5.019,40 3.217,41 3.667,42 5.438,43 3.468,44 4.379,45 4.688,46 3.186,47 3.398,48 5.21,49 3.252,50 4.172,51 4.446,52 2.997,53 3.153,54 5.268,55 3.046,56 0.048,57 0.59,58 9.161,59 3.363,60 11.115,61 4.913,62 0.22,63 0.867,64 15.867,65 5.914,66 23.598,67 8.316,68 0.094,69 1.02,70 17.909,71 6.53,72 17.835,73 9.607,74 0.309,75 1.104,76 22.754,77 7.714,78 37.316,79 11.194,80 0.16,81 1.113,82 22.542,83 8.291,84 28.774,85 12.326,86 0.259,87 1.03,88 26.008,89 8.188,90 36.219,91 13.019,92 0.119,93 0.794,94 18.681,95 5.884,96 21.481,97 9.462,98 0.372,99 0.664,100 15.65,101 3.395,102 38.95,103 6.051,104 30,105 29,106 0.269,107 0.621,108 0.822,109 0.849,110 0.858,111 0.858,112 3.058,113 0.94,114 -4.01,115 -3.96,116 -3.75,119 37.5,120 2,121 2,124 1,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 9,169 1,170 4,172 3,173 3,175 1,178 10,180 1,182 6,187 1,189 11,191 1,193 4,195 1,196 1,197 1,198 2,200 2,201 9,204 2,205 1,207 5,212 3,215 5,218 3,221 5,226 3,229 1,231 3,234 4,239 4,243 4,245 2,246 2,248 1,249 1,251 3,256 3,265 2,270 2,273 472,274 13.257,275 13.257,276 13.257,277 13.257,278 13.257,279 11.651,280 19.175,281 7.646,282 13.601,283 10.204,284 10.204,285 10.204,286 10.204,287 10.204,288 7.737,289 24.654,290 3.432,291 10.672,292 3.826,293 1.872,294 0.757,295 0.607,296 0.557,297 0.557,298 3.711,300 1,301 1,302 1,303 348,304 2.55,307 135.944,314 1.195,315 15.446,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 43,327 171,328 4.414,329 3.315,330 6.476,331 4.032,332 3.053,333 4.1,334 0.86,335 10.041,336 2.99,337 4.226,338 3.068,339 6.087,340 3.81,341 2.853,342 3.874,343 0.68,344 8.837,345 2.736,346 3.597,347 2.536,348 5.281,349 3.232,350 2.276,351 2.931,353 6.711,354 2.175,355 3.362,356 2.265,357 5.042,358 2.976,359 2,360 2.662,362 5.669,363 1.973,364 3.294,365 2.178,366 4.921,367 2.937,368 1.974,369 2.544,371 5.647,372 1.868,373 2.823,374 1.739,375 4.143,376 2.353,377 1.421,378 1.952,380 3.671,381 1.32,382 2.128,383 1.511,384 3.626,385 1.942,386 1.042,387 1.104,389 2.166,390 0.927,391 1.611,392 0.634,393 2.985,394 1.385,395 0.415,396 0.474,398 0.851,399 0.401,400 1.469,401 0.614,402 2.742,403 1.227,404 0.295,405 0.338,407 0.459,408 0.273,409 1,410 0.165,411 2.403,412 0.688,413 -0.24,414 -0.281,415 -0.437,416 -0.221,417 0.848,418 -0.177,419 2.359,420 0.532,421 -0.455,422 -0.56,423 -1.147,424 -0.448,425 0.794,426 -0.314,427 2.304,428 0.392,429 -0.515,430 -0.621,431 -1.243,432 -0.467,433 0.49,434 -0.511,435 1.918,436 0.22,437 -0.745,438 -0.878,439 -1.729,440 -0.715,441 0.082,442 -0.915,443 1.44,444 -0.205,445 -1.164,446 -1.424,448 -3.064,449 -1.102,450 -0.092,451 -1.091,452 1.372,453 -0.401,454 -1.375,455 -1.74,457 -3.784,458 -1.339,459 9.433,460 0.472,461 0.541,462 0.027,463 26,464 1.3,465 13.5,466 0.675,467 12.5,468 0.625,469 15.54,470 0.777,471 22.367,472 0.559,473 17.276,474 0.864,475 5.123,476 0.256,477 4.422,478 0.221,479 0.244,481 0.371,485 1.054,486 1.297,487 0.926,488 1.118,489 1.271,490 1.013,491 0.882,492 0.787,493 0.757,494 0.843,495 0.56,496 0.809,497 0.944,498 1.304,499 0.995,500 1.247,501 0.821,502 1.142,503 1.403,504 0.961,505 1.207,506 1.079,507 1.07,508 1.128,509 0.853,510 1.31,511 1.267,512 1.433,513 0.895,514 1.419,515 0.681,516 0.82,517 0.796,518 0.829,519 0.76,520 0.828,521 0.511,522 1.121,523 0.622,524 0.949,525 0.49,526 0.823,527 1.409,528 0.93,529 1.274,530 0.897,531 1.629,532 1.021,533 5,534 0.029,535 2.444,536 1.813,537 1.418,538 0.472,539 0.507,540 0.295,541 0.177,542 0.097,543 3333,544 8667,545 1.938,546 50,547 10,548 5,550 1,551 4,555 1.619,556 1.765,557 3.072,558 1.928,560 1,562 1,564 59.835,565 1.496,566 3.45,567 4.565,568 4.715,569 4.765,570 4.765,571 2.471,572 3.922,573 4.295,574 3.179,575 603.974,576 7.344,577 6139.3,578 1,579 1,580 1,581 1,582 212.877,583 1.559,584 4.219,585 0.238,586 0.01,587 0.084,588 0.058,589 0.053,590 0.022,591 0.028,592 0.016,593 0.014,594 0.012,595 0.536,596 0.33,597 1,598 1.048,599 88.146,600 -0.109,601 -0.019,602 0.016,603 0.015,604 -0.226,605 0.036,606 0.176,607 0.312,608 0.211,609 0.231,610 0.263,611 0.216,612 -0.056,613 -0.154,614 -0.055,615 -0.15,616 -0.036,617 -0.104,618 -0.177,619 0.077,620 -0.225,621 -0.053,622 -0.081,623 -0.139,624 -0.119,625 -0.291,626 -0.344,627 -0.37,628 -0.139,629 -0.39,630 0.036,631 0.004,632 0.165,633 0.115,634 0.024,635 0.152,636 0.184,637 -0.269,638 0.337,639 0.014,640 0.274,641 0.169,642 0.064,643 0.093,644 -0.224,645 -0.075,646 -0.139,647 -0.164,648 1.466,649 1.946,650 0.6,651 14,652 0.995,653 1.138,654 2.78,655 7.731,656 0.639,657 3.091,658 3.401,659 3.638,660 3.85,661 3.989,662 3.951,663 3.951,664 3.97,665 3.989,666 3.829,667 5.028,668 0.6,669 272.39,670 3.091,671 4.615,672 5.451,673 6.323,674 7.174,675 8.047,676 8.904,677 9.777,678 10.637,679 11.51,680 10,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,718 40,719 12,720 1,721 21,723 41,724 15,725 10,726 4,727 2,729 2,730 2,734 2,739 2,741 10,742 5,753 1,754 1,757 20,758 5,759 4,760 5,764 4,769 1,770 1,776 1,781 2,802 2,806 3,810 20,811 2,816 2,818 1,829 2.5,834 1,836 11.333,837 7.983,838 4.583,839 2.321,840 2.254,841 1.359,842 0.957,843 4.452,844 8.525,845 3.332,846 3.951,847 4.494,848 5.017,849 5.503,850 5.604,851 5.76,852 6.098,853 6.44,854 6.654,855 0.833,856 31,857 7.324,859 2.934,860 7.708,861 13.987,863 10.878,865 2.208,866 44.167,867 0.001,870 188.338,871 83.815,872 99.365,874 11,877 83.815,878 199.338,879 99.365,880 28.533,881 5.069,882 84.747,883 45.342,884 38.033,885 4.227,886 176.567,888 188.338,889 183.181,890 11,893 188.338,894 11,897 33.666,898 115.944,899 33.571,901 188.338,902 110.365,903 83.815,906 188.338,907 27.282,908 56.533,910 110.365,911 188.338,912 110.365,913 83.815,915 0.577,916 0.35,917 0.189,918 0.094,919 13,920 7,921 0.098,922 4,924 1,925 3.108,926 143.84,928 12,929 86.439,933 14.601,934 6.098,935 3.217,937 110.365,938 5.929,939 7.985,943 5.952,945 65.794,946 382.518,947 27,956 39.803,957 45.524,958 0.281,959 0.648,960 0.858,961 0.886,962 0.895,963 0.895,964 4.554,965 0.415,966 5.451,967 2.166,968 4.078,969 4.635,970 1.225,971 6.256,972 4,973 5.779,974 0.295,975 7.017,976 0.851,977 3.761,978 4.559,980 7.154,981 3.664,982 7.099,983 -0.24,984 8.677,985 0.459,986 5.673,987 6.857,988 0.925,989 10.208,990 5.539,991 8.453,992 -0.455,993 10.389,994 -0.437,995 6.111,996 7.512,998 11.87,999 5.954,1000 9.832,1001 -0.515,1002 12.133,1003 -1.147,1004 7.534,1005 9.336,1006 0.697,1007 14.457,1008 7.35,1009 11.229,1010 -0.745,1011 13.9,1012 -1.243,1013 8.323,1014 10.338,1016 16.455,1017 8.113,1018 12.64,1019 -1.164,1020 15.683,1021 -1.729,1022 9.55,1023 11.956,1024 0.525,1025 18.866,1026 9.318,1027 3.053,1028 -1.375,1029 17.479,1030 -3.064,1031 10.505,1032 13.138,1034 21.02,1035 10.247,1036 2.853,1037 10.041,1038 19.285,1039 -3.784,1040 11.653,1041 14.652,1042 0.395,1043 23.36,1044 11.374,1045 2.276,1046 8.837,1047 21.099,1048 4.1,1049 12.684,1050 15.931,1052 25.586,1053 12.381,1054 2,1055 6.711,1056 22.921,1057 3.874,1058 13.801,1059 17.391,1060 0.298,1061 27.897,1062 13.477,1063 1.974,1064 5.669,1065 24.748,1066 2.931,1067 14.869,1068 18.723,1070 30.157,1071 14.521,1072 1.421,1073 5.647,1074 26.579,1075 2.662,1076 15.974,1077 20.154,1078 0.224,1079 32.458,1080 15.606,1081 1.042,1082 3.671,1083 28.415,1084 2.544,1085 17.058,1086 21.514,1088 34.736,1089 16.669,1090 3464,1091 5683,1092 13.235,1093 25.569,1094 30.708,1095 31.23,1096 32.931,1097 30.645,1098 30.658,1099 39.957,1100 3.08,1101 88.101,1102 29.329,1103 5.183,1104 5.315,1105 6.014,1106 5.101,1107 5.053,1108 7.1,1109 1.72,1110 16.917,1111 4.99,1112 12.13,1113 1.462,1114 1.487,1115 1.568,1116 1.459,1117 1.46,1118 1.903,1119 0.147,1120 4.195,1121 1.397,1122 4.009,1123 4.038,1124 3.958,1125 3.941,1126 5.291,1127 3.94,1128 3.827,1129 3.876,1130 3.788,1131 3.67,1132 4.979,1133 3.693,1134 3.428,1135 3.508,1136 3.243,1137 3.286,1138 4.833,1139 3.264,1140 3.313,1141 3.378,1142 3.173,1143 3.113,1144 4.464,1145 3.118,1146 3.184,1147 3.274,1148 2.976,1149 2.916,1150 4.35,1151 2.91,1152 3.063,1153 3.181,1154 2.881,1155 2.804,1156 4.042,1157 2.811,1158 2.927,1159 3.041,1160 2.748,1161 2.623,1162 3.847,1163 2.643,1164 2.747,1165 2.853,1166 2.531,1167 2.532,1168 3.742,1169 2.527,1170 0.21,1171 0.158,1172 0.308,1173 0.192,1174 0.145,1175 4.414,1176 0.195,1177 3.315,1178 0.041,1179 6.476,1180 0.478,1181 4.032,1182 0.142,1183 3.053,1184 4.1,1185 0.86,1186 10.041,1187 2.99,1188 1.975,1189 1.953,1190 2.082,1191 2.068,1192 1.295,1193 2.071,1194 1.756,1195 1.712,1196 1.865,1197 1.943,1198 1.027,1199 1.921,1200 1.458,1201 1.383,1202 1.758,1203 1.653,1204 0.867,1205 1.696,1206 1.268,1207 1.203,1208 1.575,1209 1.538,1210 0.577,1211 1.548,1212 1.17,1213 1.08,1214 1.532,1215 1.456,1216 0.565,1217 1.489,1218 1.006,1219 0.91,1220 1.309,1221 1.351,1222 0.338,1223 1.349,1224 0.866,1225 0.747,1226 1.214,1227 1.209,1228 0.133,1229 1.229,1230 0.734,1231 0.639,1232 1.083,1233 1.025,1235 1.055,1236 3.761,1238 5.069,1240 6.581,1242 8.188,1244 9.842,1246 5.86,1250 11.388,1252 1.607,1254 5.446,1262 24.015,1263 59.835,1264 138.017,1265 182.612,1266 188.612,1267 190.612,1268 190.612,1269 29.767,1270 6.271,1271 87.05,1272 87.05,1273 12,1274 12.053,1275 3.7,1276 2.807,1277 36.377,1278 60,1279 58,1280 0.307,1281 153.478,1282 258.49,1283 366.246,1284 3455,1286 14.698,1287 0.735,1288 0.605,1289 14.698,1290 12.104,1291 9.545,1292 0.455,1293 0.313,1294 6.488,1295 9.189,1296 6.193,1297 5.252,1298 9.545,1299 6.58,1300 8.446,1301 0.291,1302 0.165,1303 8.446,1304 4.774,1305 6.919,1306 0.187,1307 0.089,1308 6.919,1309 3.308,1310 5.768,1311 0.125,1312 0.052,1313 5.768,1314 2.375,1315 4.164,1316 0.079,1317 0.028,1318 4.164,1319 1.48,1320 0.469,1321 59.827,1322 0.275,1323 19.729,1324 0.87,1325 100,1326 275.65,1327 108.929,1328 271.932,1329 374.03,1330 254,1331 116,1332 278.517,1333 124.651,1334 287.849,1335 413.98,1336 267,1337 4.081}
{0 CHEMBL23454,1 1.617,2 10.208,3 2.315,4 5.357,5 96.194,6 7.568,7 0.654,8 3.876,9 4.005,10 3.445,11 3.344,12 5.068,13 3.354,14 4.348,15 4.518,16 3.774,17 3.694,18 5.503,19 3.686,20 4.492,21 4.662,22 3.851,23 3.829,24 5.613,25 3.804,26 4.606,27 4.808,28 3.743,29 3.841,30 5.689,31 3.766,32 4.667,33 4.919,34 3.569,35 3.787,36 5.627,37 3.672,38 4.563,39 4.831,40 3.445,41 3.652,42 5.501,43 3.538,44 4.426,45 4.674,46 3.389,47 3.544,48 5.348,49 3.46,50 4.269,51 4.482,52 3.367,53 3.488,54 5.293,55 3.406,56 0.079,57 0.658,58 8.833,59 3.382,60 11.864,61 4.501,62 0.31,63 0.966,64 16.06,65 5.765,66 28.126,67 7.546,68 0.256,69 1.134,70 17.941,71 6.25,72 22.201,73 8.676,74 0.328,75 1.192,76 21.128,77 7.379,78 33.958,79 10.43,80 0.435,81 1.163,82 24.47,83 7.623,84 41.794,85 11.442,86 0.381,87 1.005,88 22.669,89 7.199,90 39.686,91 10.544,92 0.351,93 0.846,94 19.98,95 6.412,96 31.493,97 8.97,98 0.191,99 0.801,100 15.5,101 5.699,102 21.813,103 7.918,104 21,105 36,106 0.282,107 0.635,108 0.755,109 0.842,110 0.858,111 0.882,112 3.228,113 0.852,114 -3.47,115 -3.45,116 -3.3,119 39.5,124 2,125 1,139 6,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 6,172 3,173 3,175 3,178 5,180 1,182 6,185 1,187 4,189 3,191 1,193 3,195 1,196 2,197 1,198 7,200 2,201 1,204 4,205 1,206 1,207 2,212 3,215 3,218 3,221 3,224 2,225 1,226 1,228 1,229 5,231 1,234 4,241 4,246 4,250 1,251 1,253 1,254 2,256 1,259 2,260 2,262 1,263 1,265 1,270 1,273 754,274 16.273,275 16.273,276 16.273,277 16.273,278 16.273,279 14.213,280 22.895,281 9.454,282 16.857,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.461,289 31.769,290 4.328,291 13.457,292 3.809,293 1.782,294 1.093,295 0.593,296 0.5,297 0.361,298 3.91,300 1,301 1,302 1,303 519,304 2.828,307 202.314,311 104.615,314 1.458,315 20.346,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 52.5,327 245,328 4.541,329 3.171,330 6.502,331 4.049,332 3.079,333 4.491,334 0.86,335 10.175,336 2.99,337 4.267,338 3.114,339 6.173,340 3.859,341 2.905,342 3.911,343 0.86,344 9.172,345 2.768,346 3.77,347 2.697,348 5.313,349 3.377,350 2.41,351 3.232,352 0.657,353 6.885,354 2.331,355 3.543,356 2.626,357 5.22,358 3.155,359 2.235,360 2.856,362 6.487,363 2.048,364 3.429,365 2.196,366 5.062,367 2.976,368 2.044,369 2.811,371 5.803,372 1.899,373 3.373,374 2.061,375 4.971,376 2.913,377 1.965,378 2.696,380 5.756,381 1.858,382 2.918,383 1.911,384 4.391,385 2.537,386 1.594,387 2.058,389 4.254,390 1.498,391 2.454,392 1.255,393 3.71,394 1.983,395 1.008,396 1.434,398 2.565,399 0.981,400 2.032,401 1.059,402 3.284,403 1.726,404 0.805,405 0.955,407 1.761,408 0.734,409 1.815,410 0.925,411 3.014,412 1.554,413 0.656,414 0.736,415 1.223,416 0.585,417 1.471,418 0.888,419 2.756,420 1.191,421 0.332,422 0.366,423 0.463,424 0.283,425 1.338,426 0.228,427 2.641,428 0.955,429 0.021,430 0.027,431 0.049,432 0.02,433 0.976,434 -0.03,435 2.529,436 0.516,437 -0.407,438 -0.499,439 -0.812,440 -0.372,441 0.818,442 -0.294,443 2.39,444 0.454,445 -0.471,446 -0.588,448 -1.154,449 -0.43,450 0.639,451 -0.403,452 2.206,453 0.237,454 -0.706,455 -0.867,457 -1.804,458 -0.659,459 11.167,460 0.465,461 0.571,462 0.024,463 34.5,464 1.438,465 18.5,466 0.771,467 16,468 0.667,469 15.766,470 0.657,471 26.033,472 0.605,473 24.982,474 1.041,475 7.135,476 0.297,477 4.465,478 0.186,479 0.161,481 0.358,485 1.062,486 1.282,487 0.818,488 1.053,489 1.237,490 0.901,491 1.184,492 0.871,493 0.804,494 0.813,495 0.733,496 0.769,497 1.071,498 1.275,499 0.99,500 1.114,501 0.903,502 1.046,503 0.921,504 1.254,505 1.133,506 1.281,507 0.875,508 1.258,509 0.854,510 1.047,511 1.091,512 1.072,513 1.027,514 1.108,515 0.87,516 0.74,517 0.989,518 0.942,519 0.905,520 0.975,521 1.307,522 0.767,523 0.939,524 0.8,525 0.922,526 0.821,527 0.915,528 1.148,529 0.993,530 1.225,531 0.883,532 1.154,533 5.5,534 0.136,535 2.667,536 1.5,537 1.711,538 0.646,539 0.345,540 0.295,541 0.242,542 0.217,543 6310,544 18180,545 2.04,546 44.2,548 14,551 5,555 1.667,556 1.895,557 3.315,558 2.661,559 1,560 1,562 1,564 69.522,565 1.617,566 3.644,567 4.333,568 4.833,569 4.926,570 5.066,571 2.709,572 3.835,573 4.56,574 3.46,575 954.832,576 7.859,577 11355.9,579 1,581 1,582 233.329,583 1.459,584 4.507,585 0.212,586 0.009,587 0.074,588 0.039,589 0.053,590 0.025,591 0.015,592 0.013,593 0.011,594 0.011,595 0.462,596 0.17,597 1,598 0.921,599 114.568,600 -0.147,601 -0.058,602 0.023,603 -0.002,604 -0.27,605 0.046,606 -0.032,607 0.217,608 0.125,609 0.21,610 0.149,611 0.186,612 -0.109,613 -0.151,614 -0.096,615 -0.098,616 -0.073,617 -0.094,618 -0.027,619 -0.204,620 -0.214,621 -0.275,622 -0.008,623 -0.286,624 -0.009,625 -0.09,626 -0.118,627 -0.097,628 -0.111,629 -0.117,630 0.007,631 0.181,632 0.008,633 0.029,634 -0.013,635 0.025,636 -0.158,637 0.102,638 0.082,639 0.205,640 -0.048,641 0.188,642 -0.018,643 -0.179,644 -0.053,645 -0.184,646 -0.029,647 -0.139,648 1.494,649 1.929,650 0.667,651 19.25,652 1.008,653 1.135,654 2.245,655 5.038,656 0.657,657 3.296,658 3.611,659 3.871,660 4.111,661 4.344,662 4.357,663 4.369,664 4.394,665 4.543,666 4.575,667 6.047,668 0.633,669 325.41,670 3.296,671 4.828,672 5.673,673 6.547,674 7.408,675 8.284,676 9.15,677 10.027,678 10.896,679 11.773,680 11.6,684 2,685 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,712 1,716 2,718 43,719 17,720 2,721 26,723 45,724 17,725 14,726 6,727 6,729 3,730 4,741 14,742 3,753 1,754 1,757 19,758 7,759 5,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 1,817 1,818 2,829 4.7,834 2,836 12.667,837 8.15,838 5.417,839 2.172,840 3.404,841 1.48,842 0.992,843 4.805,844 10.499,845 3.57,846 4.22,847 4.834,848 5.43,849 6.019,850 6.249,851 6.532,852 6.847,853 7.273,854 7.35,855 0.857,856 38,857 8.767,859 3.604,860 7.764,861 16.526,863 12.968,865 2.264,866 54.333,869 1,870 164.795,871 106.103,872 117.376,874 22,877 106.103,878 186.795,879 117.376,880 21.766,881 2.106,882 122.652,883 51.582,884 43.146,885 4.227,886 164.795,888 164.795,889 223.479,890 22,893 164.795,894 22,897 6.149,898 165.748,899 51.582,901 164.795,902 139.376,903 106.103,906 164.795,907 27.479,908 78.624,909 18.011,910 121.365,911 164.795,912 139.376,913 106.103,915 0.577,916 0.346,917 0.187,918 0.103,919 17,920 8,921 0.111,922 5,923 1,924 1.125,925 3.591,926 190.566,927 0.125,928 16,929 110.039,933 16.455,934 7.008,935 3.591,936 1.504,937 139.376,938 11.387,939 8.174,943 3.924,945 83.805,946 410.274,947 34.5,956 43.349,957 48.817,958 0.298,959 0.672,960 0.798,961 0.891,962 0.908,963 0.934,964 4.79,965 1.008,966 5.659,967 4.254,968 4.29,969 4.905,970 1.573,971 6.457,972 4.188,973 6.015,974 0.805,975 7.213,976 2.565,977 3.892,978 4.808,980 7.322,981 3.753,982 7.334,983 0.656,984 8.86,985 1.761,986 5.878,987 7.19,988 1.27,989 10.384,990 5.697,991 8.69,992 0.332,993 10.561,994 1.223,995 6.256,996 7.878,998 12.037,999 6.037,1000 10.074,1001 0.021,1002 12.296,1003 0.463,1004 7.722,1005 9.755,1006 1.022,1007 14.625,1008 7.476,1009 11.478,1010 -0.407,1011 14.054,1012 0.049,1013 8.471,1014 10.833,1016 16.631,1017 8.188,1018 12.897,1019 -0.471,1020 15.83,1021 -0.812,1022 9.723,1023 12.494,1024 0.818,1025 19.044,1026 9.417,1027 3.079,1028 -0.706,1029 17.62,1030 -1.154,1031 10.658,1032 13.775,1034 21.212,1035 10.315,1036 2.905,1037 10.175,1038 19.421,1039 -1.804,1040 11.82,1041 15.338,1042 0.65,1043 23.557,1044 11.453,1045 2.41,1046 9.172,1047 21.232,1048 4.491,1049 12.844,1050 16.724,1052 25.797,1053 12.443,1054 2.235,1055 6.885,1056 23.051,1057 3.911,1058 13.97,1059 18.244,1060 0.511,1061 28.116,1062 13.543,1063 2.044,1064 6.487,1065 24.877,1066 3.232,1067 15.038,1068 19.683,1070 30.39,1071 14.578,1072 1.965,1073 5.803,1074 26.708,1075 2.856,1076 16.151,1077 21.185,1078 0.399,1079 32.7,1080 15.664,1081 1.594,1082 5.756,1083 28.545,1084 2.811,1085 17.24,1086 22.651,1088 34.99,1089 16.721,1090 6195,1091 10622,1092 17.107,1093 28.267,1094 38.055,1095 38.978,1096 39.894,1097 38.029,1098 38.109,1099 51.144,1100 4.755,1101 109.191,1102 35.989,1103 5.378,1104 5.171,1105 6.071,1106 5.121,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.99,1112 12.642,1113 1.464,1114 1.499,1115 1.534,1116 1.463,1117 1.466,1118 1.967,1119 0.183,1120 4.2,1121 1.384,1122 4.075,1123 4.11,1124 4.042,1125 3.986,1126 5.308,1127 3.994,1128 3.916,1129 3.937,1130 3.872,1131 3.819,1132 4.982,1133 3.828,1134 3.537,1135 3.604,1136 3.465,1137 3.351,1138 4.928,1139 3.373,1140 3.325,1141 3.374,1142 3.188,1143 3.038,1144 4.692,1145 3.063,1146 3.204,1147 3.29,1148 3.06,1149 2.976,1150 4.603,1151 2.985,1152 3.135,1153 3.236,1154 3.011,1155 2.876,1156 4.267,1157 2.895,1158 3.118,1159 3.215,1160 2.885,1161 2.859,1162 4.133,1163 2.851,1164 2.831,1165 2.906,1166 2.695,1167 2.681,1168 3.94,1169 2.675,1170 0.175,1171 0.122,1172 0.25,1173 0.156,1174 0.118,1175 4.541,1176 0.173,1177 3.171,1178 0.033,1179 6.502,1180 0.391,1181 4.049,1182 0.115,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.99,1188 2.021,1189 1.994,1190 2.091,1191 2.131,1192 1.235,1193 2.119,1194 1.871,1195 1.853,1196 1.962,1197 1.997,1198 1.064,1199 1.985,1200 1.469,1201 1.409,1202 1.627,1203 1.698,1204 0.742,1205 1.684,1206 1.24,1207 1.181,1208 1.59,1209 1.568,1210 0.586,1211 1.571,1212 1.157,1213 1.075,1214 1.535,1215 1.461,1216 0.556,1217 1.484,1218 1.116,1219 1.027,1220 1.386,1221 1.387,1222 0.348,1223 1.396,1224 1.037,1225 0.949,1226 1.291,1227 1.378,1228 0.195,1229 1.371,1230 0.832,1231 0.763,1232 1.113,1233 1.033,1234 0.103,1235 1.063,1236 3.97,1238 5.283,1240 6.801,1242 8.416,1244 10.08,1246 3.259,1250 11.545,1252 0.587,1253 3.339,1254 10.614,1262 27.224,1263 69.522,1264 156.7,1265 186.31,1266 207.82,1267 211.82,1268 217.82,1269 32.265,1270 7.095,1271 108.31,1272 108.31,1273 18,1274 12.312,1275 4.17,1276 3.248,1277 39.368,1278 89,1279 76,1280 0.221,1281 170.205,1282 284.34,1283 407.06,1284 11138,1286 17.104,1287 0.713,1288 0.564,1289 17.104,1290 13.537,1291 11.601,1292 0.446,1293 0.284,1294 7.227,1295 11.023,1296 7.005,1297 5.872,1298 11.601,1299 7.38,1300 10.25,1301 0.285,1302 0.146,1303 10.25,1304 5.238,1305 8.663,1306 0.184,1307 0.079,1308 8.663,1309 3.697,1310 7.169,1311 0.119,1312 0.041,1313 7.169,1314 2.477,1315 5.751,1316 0.076,1317 0.022,1318 5.751,1319 1.671,1320 0.347,1321 73.684,1322 0.242,1323 23.447,1324 0.602,1325 124,1326 379.719,1327 137.861,1328 366.181,1329 505.02,1330 344,1331 145,1332 376.105,1333 158.363,1334 384.498,1335 556.39,1336 358,1337 6.337}
{0 CHEMBL23459,1 1.734,2 11,3 1.049,4 1.101,5 96.109,6 7.943,7 0.607,8 3.942,9 4.068,10 3.546,11 3.323,12 5.179,13 3.37,14 4.419,15 4.596,16 3.877,17 3.641,18 5.619,19 3.684,20 4.502,21 4.656,22 4.005,23 3.775,24 5.757,25 3.808,26 4.621,27 4.798,28 3.955,29 3.829,30 5.838,31 3.813,32 4.743,33 4.952,34 3.753,35 3.817,36 5.803,37 3.763,38 4.674,39 4.911,40 3.512,41 3.714,42 5.676,43 3.618,44 4.603,45 4.906,46 3.435,47 3.583,48 5.461,49 3.467,50 4.356,51 4.614,52 3.493,53 3.428,54 5.403,55 3.377,56 0.162,57 0.693,58 8.758,59 3.09,60 14.052,61 4.219,62 0.534,63 0.978,64 17.427,65 5.029,66 38.156,67 6.788,68 0.596,69 1.133,70 17.053,71 5.264,72 34.989,73 7.272,74 0.604,75 1.165,76 20.031,77 6.89,78 42.086,79 9.495,80 0.788,81 1.145,82 25.796,83 7.151,84 56.085,85 10.154,86 0.715,87 1.046,88 24.492,89 6.628,90 51.926,91 9.769,92 0.596,93 0.896,94 25.781,95 6.793,96 47.019,97 11.193,98 0.474,99 0.768,100 18.652,101 5.293,102 36.581,103 8.311,104 35,105 39,106 0.299,107 0.638,108 0.741,109 0.766,110 0.777,111 0.809,112 3.304,113 0.818,114 -1.94,115 -2,116 -2,119 35.6,124 3,125 1,139 2,141 4,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,169 2,170 2,172 3,173 3,175 2,178 1,181 5,182 2,184 1,185 2,192 2,193 2,195 3,196 6,197 1,200 2,205 1,207 2,209 1,210 2,221 2,224 2,225 1,228 1,233 2,245 3,246 4,250 1,251 2,253 1,256 2,259 1,273 920,274 17.643,275 17.643,276 17.643,277 17.643,278 17.643,279 15.582,280 26.188,281 10.181,282 18.499,283 13.619,284 13.619,285 13.619,286 13.619,287 13.619,288 10.281,289 38.087,290 4.557,291 14.739,292 3.758,293 1.793,294 1.201,295 1.051,296 0.99,297 0.806,298 3.985,301 1,302 1,303 602,304 3.082,307 229.767,311 120.969,314 1.538,315 28.365,318 1,319 0.83,320 1,321 0.8,323 0.83,324 0.5,325 0.71,326 58.5,327 286,328 4.541,329 3.373,330 6.523,331 4.024,332 3.081,333 4.491,334 0.86,335 10.257,336 2.902,337 4.42,338 3.131,339 6.502,340 4.001,341 3.058,342 4.104,343 0.86,344 10.174,345 2.878,346 3.785,347 2.717,348 5.381,349 3.396,350 2.452,351 3.238,352 0.86,353 7.048,354 2.314,355 3.555,356 2.555,357 5.218,358 3.16,359 2.22,360 2.879,361 0.657,362 6.571,363 2.084,364 3.427,365 2.406,366 5.19,367 2.972,368 2.061,369 2.811,371 6.118,372 1.877,373 3.356,374 2.172,375 5.062,376 2.958,377 2.031,378 2.678,380 5.801,381 1.867,382 3.355,383 2.04,384 4.965,385 2.872,386 1.947,387 2.604,389 5.738,390 1.796,391 2.454,392 1.943,393 3.811,394 2.005,395 1.173,396 1.435,398 2.565,399 0.973,400 2.236,401 1.098,402 3.71,403 1.917,404 1.008,405 1.222,407 2.532,408 0.915,409 1.886,410 1.056,411 3.227,412 1.628,413 0.717,414 0.811,415 1.598,416 0.65,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.43,426 0.885,427 2.744,428 1.158,429 0.315,430 0.339,431 0.416,432 0.264,433 1.33,434 0.249,435 2.58,436 0.929,437 0.021,438 0.027,439 0.049,440 0.019,441 0.976,442 0.048,443 2.492,444 0.521,445 -0.392,446 -0.471,448 -0.767,449 -0.353,450 0.834,451 -0.294,452 2.439,453 0.448,454 -0.461,455 -0.583,457 -1.154,458 -0.417,459 11.8,460 0.454,461 0.622,462 0.024,463 37.5,464 1.442,465 19,466 0.731,467 18.5,468 0.712,469 17.76,470 0.683,471 29,472 0.644,473 28.524,474 1.097,475 7.797,476 0.3,477 4.753,478 0.183,479 0.195,481 0.381,485 1.065,486 1.568,487 0.77,488 1.238,489 1.184,490 0.96,491 1.319,492 0.941,493 0.754,494 0.728,495 0.877,496 0.641,497 0.928,498 1.16,499 0.882,500 1.047,501 0.872,502 0.955,503 0.761,504 1.156,505 0.975,506 1.327,507 0.664,508 1.231,509 1.434,510 1.082,511 1.286,512 1.105,513 1.235,514 1.177,515 1.25,516 0.924,517 1.386,518 1.117,519 1.237,520 1.266,521 0.584,522 0.757,523 0.709,524 0.781,525 0.564,526 0.772,527 0.586,528 0.927,529 0.608,530 0.874,531 0.527,532 0.775,533 6,534 0.206,535 2.889,536 2.063,537 2.182,538 0.653,539 0.384,540 0.373,541 0.188,542 0.278,543 7796,544 24898,545 2.014,546 42.2,548 13,550 1,551 5,555 1.688,556 1.857,557 3.402,558 2.672,559 1,560 1,562 1,564 78.016,565 1.734,566 3.699,567 4.291,568 4.441,569 4.502,570 4.686,571 2.844,572 4.162,573 4.676,574 3.56,575 1157.13,576 8.087,577 14653.3,579 1,582 247.133,583 1.502,584 4.615,585 0.214,586 0.01,587 0.074,588 0.048,589 0.056,590 0.021,591 0.017,592 0.016,593 0.008,594 0.012,595 0.476,596 0.17,597 0.88,598 0.998,599 127.934,600 -0.181,601 -0.292,602 0.031,603 -0.14,604 -0.264,605 -0.008,606 -0.139,607 0.133,608 0.19,609 0.278,610 0.07,611 0.295,612 0.095,613 0.043,614 -0.014,615 -0.035,616 0.022,617 -0.043,618 0.181,619 -0.042,620 -0.085,621 -0.279,622 0.207,623 -0.259,624 -0.287,625 -0.126,626 -0.304,627 -0.105,628 -0.251,629 -0.207,630 -0.262,631 0.032,632 -0.404,633 -0.149,634 -0.344,635 -0.293,636 0.155,637 0.045,638 0.343,639 0.208,640 0.203,641 0.31,642 0.257,643 -0.044,644 0.405,645 0.143,646 0.355,647 0.28,648 1.604,649 1.84,650 0.615,651 22.059,652 1.022,653 1.147,654 0.714,655 0.51,656 0.644,657 3.367,658 3.689,659 3.97,660 4.234,661 4.443,662 4.431,663 4.466,664 4.511,665 4.615,666 4.654,667 6.467,668 0.632,669 357.42,670 3.367,671 4.905,672 5.759,673 6.642,674 7.512,675 8.396,676 9.27,677 10.154,678 11.029,679 11.913,680 15.6,684 2,685 1,690 4,694 2,695 3,696 4,700 7,702 17,711 2,712 1,716 3,718 45,719 17,720 1,721 28,723 47,724 16,725 12,726 4,727 2,729 3,730 4,741 12,742 4,753 1,754 1,757 19,758 10,759 5,760 10,764 7,769 0.667,770 3,774 1,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 1,817 1,818 3,829 6.7,834 3,836 14,837 8.967,838 5.944,839 2.188,840 3.363,841 1.464,842 0.968,843 5.44,844 10.618,845 3.624,846 4.277,847 4.903,848 5.509,849 6.08,850 6.317,851 6.599,852 6.901,853 7.304,854 7.402,855 1,856 43,857 9.484,859 3.887,860 7.865,861 17.576,863 13.467,865 2.365,866 61.5,870 164.795,871 92.085,872 150.947,874 33,877 92.085,878 197.795,879 150.947,880 32.649,881 2.106,882 84.747,883 96.924,884 67.15,885 4.227,886 153.024,888 164.795,889 243.032,890 33,893 166.511,894 33,897 17.953,898 138.211,899 85.153,901 164.795,902 183.947,903 92.085,906 164.795,907 31.436,908 60.649,909 18.011,910 165.936,911 164.795,912 183.947,913 92.085,915 0.574,916 0.355,917 0.202,918 0.109,919 18,920 9,921 0.128,922 6,923 1,924 1.125,925 3.713,926 213.724,927 0.125,928 16,929 114.211,933 18.227,934 7.761,935 3.839,936 0.759,937 183.947,938 5.196,939 16.565,943 3.296,945 83.805,946 440.827,947 36.5,956 45.996,957 51.608,958 0.316,959 0.674,960 0.781,961 0.809,962 0.82,963 0.853,964 4.854,965 1.173,966 5.753,967 5.738,968 4.369,969 4.963,970 1.841,971 6.575,972 4.223,973 6.083,974 1.008,975 7.322,976 2.565,977 4.007,978 4.913,980 7.496,981 3.822,982 7.411,983 0.717,984 8.986,985 2.532,986 5.979,987 7.259,988 1.538,989 10.577,990 5.714,991 8.776,992 0.396,993 10.705,994 1.598,995 6.399,996 7.989,998 12.288,999 6.084,1000 10.169,1001 0.315,1002 12.458,1003 0.603,1004 7.854,1005 9.84,1006 1.278,1007 14.899,1008 7.478,1009 11.582,1010 0.021,1011 14.235,1012 0.416,1013 8.643,1014 10.948,1016 16.957,1017 8.209,1018 13.011,1019 -0.392,1020 16.03,1021 0.049,1022 9.893,1023 12.594,1024 1.053,1025 19.398,1026 9.404,1027 3.081,1028 -0.461,1029 17.839,1030 -0.767,1031 10.861,1032 13.894,1034 21.609,1035 10.31,1036 3.058,1037 10.257,1038 19.66,1039 -1.154,1040 12.03,1041 15.449,1042 0.858,1043 23.981,1044 11.424,1045 2.452,1046 10.174,1047 21.491,1048 4.491,1049 13.081,1050 16.844,1052 26.257,1053 12.412,1054 2.22,1055 7.048,1056 23.329,1057 4.104,1058 14.218,1059 18.358,1060 0.691,1061 28.602,1062 13.493,1063 2.061,1064 6.571,1065 25.174,1066 3.238,1067 15.307,1068 19.8,1070 30.905,1071 14.52,1072 2.031,1073 6.118,1074 27.024,1075 2.879,1076 16.432,1077 21.298,1078 0.549,1079 33.239,1080 15.588,1081 1.947,1082 5.801,1083 28.879,1084 2.811,1085 17.539,1086 22.763,1088 35.554,1089 16.632,1090 7690,1091 13881,1092 18.205,1093 28.972,1094 40.809,1095 42.206,1096 43.609,1097 40.811,1098 40.963,1099 54.182,1100 6.475,1101 118.942,1102 37.763,1103 5.372,1104 5.373,1105 6.066,1106 5.105,1107 5.081,1108 7.491,1109 1.72,1110 17.178,1111 4.902,1112 14.929,1113 1.457,1114 1.507,1115 1.557,1116 1.458,1117 1.463,1118 1.935,1119 0.231,1120 4.248,1121 1.349,1122 4.038,1123 4.088,1124 4.019,1125 3.876,1126 5.342,1127 3.904,1128 3.925,1129 3.941,1130 3.893,1131 3.801,1132 4.992,1133 3.823,1134 3.532,1135 3.599,1136 3.462,1137 3.331,1138 4.978,1139 3.355,1140 3.303,1141 3.355,1142 3.164,1143 3.01,1144 4.863,1145 3.036,1146 3.28,1147 3.349,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.203,1153 3.284,1154 2.993,1155 2.895,1156 4.472,1157 2.896,1158 3.101,1159 3.22,1160 2.98,1161 2.794,1162 4.345,1163 2.823,1164 3.046,1165 3.147,1166 2.859,1167 2.772,1168 4.173,1169 2.794,1170 0.162,1171 0.12,1172 0.233,1173 0.144,1174 0.11,1175 4.541,1176 0.16,1177 3.373,1178 0.031,1179 6.523,1180 0.366,1181 4.024,1182 0.104,1183 3.081,1184 4.491,1185 0.86,1186 10.257,1187 2.902,1188 1.925,1189 1.887,1190 1.984,1191 2.114,1192 1.101,1193 2.076,1194 1.859,1195 1.839,1196 1.917,1197 2.001,1198 0.977,1199 1.979,1200 1.456,1201 1.396,1202 1.63,1203 1.7,1204 0.716,1205 1.682,1206 1.227,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.205,1213 1.135,1214 1.57,1215 1.519,1216 0.572,1217 1.533,1218 1.158,1219 1.07,1220 1.519,1221 1.479,1222 0.556,1223 1.491,1224 1.003,1225 0.902,1226 1.282,1227 1.378,1228 0.182,1229 1.36,1230 0.976,1231 0.87,1232 1.248,1233 1.297,1234 0.09,1235 1.305,1236 4.043,1238 5.361,1240 6.889,1242 8.517,1244 10.197,1246 4.673,1250 11.399,1252 0.394,1253 3.233,1254 15.985,1262 28.455,1263 78.016,1264 166.45,1265 193.094,1266 199.849,1267 202.604,1268 210.869,1269 39.209,1270 7.255,1271 143.32,1272 143.32,1273 18,1274 12.447,1275 4.17,1276 3.248,1277 44.513,1278 104,1279 90,1280 0.214,1281 178.197,1282 297.83,1283 426.561,1284 13420,1286 18.681,1287 0.719,1288 0.562,1289 18.681,1290 14.607,1291 12.55,1292 0.448,1293 0.273,1294 7.413,1295 11.702,1296 7.18,1297 6.03,1298 12.55,1299 7.638,1300 10.98,1301 0.282,1302 0.135,1303 10.98,1304 5.268,1305 9.353,1306 0.18,1307 0.07,1308 9.353,1309 3.64,1310 8.033,1311 0.118,1312 0.036,1313 8.033,1314 2.444,1315 6.45,1316 0.077,1317 0.019,1318 6.45,1319 1.623,1320 0.339,1321 81.354,1322 0.234,1323 25.137,1324 0.579,1325 134,1326 474.744,1327 154.57,1328 446.875,1329 611.77,1330 420,1331 158,1332 452.932,1333 179.513,1334 458.737,1335 667.69,1336 425,1337 5.721}
{0 CHEMBL23466,1 1.914,2 10.5,3 2.025,4 4.099,5 89.156,6 9.134,7 0.607,8 3.848,9 3.974,10 3.545,11 3.257,12 5.165,13 3.326,14 4.35,15 4.511,16 4.001,17 3.595,18 6.132,19 3.667,20 4.457,21 4.629,22 3.976,23 3.702,24 5.86,25 3.751,26 4.561,27 4.768,28 3.902,29 3.671,30 5.946,31 3.694,32 4.539,33 4.753,34 3.872,35 3.595,36 6.016,37 3.606,38 4.467,39 4.696,40 3.596,41 3.49,42 5.796,43 3.485,44 4.443,45 4.711,46 3.469,47 3.358,48 5.757,49 3.364,50 4.075,51 4.271,52 3.577,53 3.221,54 5.612,55 3.272,56 0.29,57 0.85,58 5.492,59 2.816,60 39.859,61 3.04,62 1.022,63 1.537,64 12.956,65 4.917,66 150.425,67 5.406,68 0.651,69 1.368,70 12.675,71 5.19,72 52.868,73 5.911,74 0.926,75 1.348,76 17.719,77 6.425,78 114.884,79 7.349,80 1.125,81 1.177,82 18.517,83 5.531,84 96.226,85 7.432,86 0.93,87 1.155,88 17.71,89 5.53,90 111.324,91 6.198,92 1.202,93 1.01,94 23.111,95 5.67,96 171.035,97 6.498,98 0.56,99 0.894,100 10.759,101 3.589,102 55.131,103 4.666,104 41,105 41,106 0.338,107 0.716,108 0.833,109 0.872,110 0.872,111 0.872,112 3.304,113 0.783,114 -3.54,115 -3.51,116 -3.35,119 37.5,124 1,125 1,131 1,139 3,140 1,141 2,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 2,169 2,170 2,172 3,173 3,175 2,178 3,181 3,182 1,184 1,185 2,187 1,189 1,192 1,193 1,195 3,196 5,197 1,198 1,200 2,205 1,207 2,209 1,210 1,221 3,224 2,225 1,228 1,233 1,234 2,245 1,246 5,250 1,251 2,253 1,256 2,260 2,265 1,270 1,273 924,274 16.823,275 16.823,276 16.823,277 16.823,278 16.823,279 14.828,280 24.805,281 9.609,282 17.599,283 13.773,284 13.773,285 13.773,286 13.773,287 13.773,288 10.605,289 37.083,290 4.534,291 15.035,292 3.408,293 1.268,294 0.607,295 0.388,296 0.388,297 0.388,298 3.98,300 1,301 1,302 1,303 573,304 3.606,307 227.624,311 118.866,314 1.615,315 47.85,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 61,327 273,328 4.541,329 4.461,330 7.122,331 4.197,332 3.331,333 4.491,334 3.825,335 11.729,336 2.934,337 4.483,338 3.133,339 6.502,340 4.02,341 3.078,342 3.97,343 0.86,344 10.175,345 2.897,346 3.927,347 2.946,348 5.621,349 3.568,350 2.642,351 3.247,352 0.657,353 7.801,354 2.405,355 3.764,356 2.673,357 5.314,358 3.346,359 2.406,360 3.18,362 6.889,363 2.254,364 3.432,365 2.355,366 5.063,367 3.017,368 2.094,369 2.811,371 5.933,372 1.926,373 3.406,374 2.17,375 5.001,376 2.943,377 2.015,378 2.716,380 5.797,381 1.864,382 3.312,383 2.038,384 4.94,385 2.862,386 1.933,387 2.581,389 5.697,390 1.789,391 2.781,392 1.814,393 4.483,394 2.362,395 1.448,396 1.861,398 4.322,399 1.286,400 2.454,401 1.061,402 3.71,403 1.92,404 1.009,405 1.434,407 2.565,408 0.918,409 1.911,410 1.023,411 3.274,412 1.635,413 0.705,414 0.82,415 1.704,416 0.653,417 1.584,418 0.894,419 2.854,420 1.294,421 0.43,422 0.482,423 0.638,424 0.368,425 1.368,426 0.51,427 2.804,428 0.938,429 0.022,430 0.029,431 0.056,432 0.02,433 0.976,434 0.51,435 2.741,436 0.49,437 -0.432,438 -0.56,439 -1.138,440 -0.395,441 0.809,442 0.177,443 2.581,444 0.411,445 -0.536,446 -0.67,448 -1.486,449 -0.508,450 0.698,451 -0.283,452 2.452,453 0.286,454 -0.67,455 -0.866,457 -1.763,458 -0.632,459 11.49,460 0.442,461 0.915,462 0.035,463 36.25,464 1.394,465 18,466 0.692,467 18.25,468 0.702,469 17.844,470 0.686,471 29.31,472 0.733,473 29.523,474 1.135,475 7.477,476 0.288,477 4.78,478 0.184,479 0.188,480 0.044,481 0.348,482 3,485 0.767,486 1.143,487 0.646,488 1.069,489 0.736,490 0.852,491 0.598,492 0.777,493 0.595,494 0.856,495 0.388,496 0.768,497 0.785,498 1.018,499 0.86,500 1.11,501 0.602,502 1.043,503 0.978,504 1.077,505 1.045,506 1.182,507 1.016,508 1.167,509 0.619,510 0.873,511 0.894,512 1.053,513 0.644,514 1.1,515 1.213,516 1.04,517 1.342,518 1.1,519 1.192,520 1.226,521 1.575,522 1.053,523 1.293,524 0.694,525 1.715,526 0.79,527 0.684,528 0.963,529 0.669,530 1.05,531 0.655,532 0.928,533 8,534 0.26,535 2.889,536 2,537 2.209,538 0.882,539 0.386,540 0.436,541 0.222,542 0.306,543 7748,544 31758,545 1.983,546 35,548 8,550 1,551 5,555 1.689,556 1.803,557 3.339,558 2.71,559 1,560 1,564 76.564,565 1.914,566 4.054,567 4.715,568 4.934,569 4.934,570 4.934,571 2.749,572 4.287,573 4.677,574 3.537,575 1149.62,576 8.091,577 14571,578 1,579 1,581 1,582 212.877,583 1.717,584 4.592,585 0.286,586 0.012,587 0.07,588 0.049,589 0.061,590 0.027,591 0.015,592 0.019,593 0.009,594 0.013,595 0.562,596 0.17,597 1,598 0.954,599 127.791,600 -0.154,601 -0.164,602 -0.015,603 -0.026,604 -0.184,605 0.05,606 0.319,607 0.263,608 0.225,609 0.16,610 0.465,611 0.146,612 -0.103,613 -0.127,614 -0.097,615 -0.141,616 -0.021,617 -0.125,618 -0.087,619 -0.101,620 -0.121,621 -0.182,622 -0.12,623 -0.182,624 0.242,625 -0.029,626 0.071,627 -0.093,628 0.135,629 -0.1,630 -0.249,631 -0.079,632 -0.347,633 -0.129,634 -0.217,635 -0.236,636 -0.319,637 0.033,638 -0.094,639 0.325,640 -0.341,641 0.282,642 0.16,643 -0.051,644 0.244,645 -0.059,646 0.143,647 0.061,648 5.737,649 4.955,650 0.615,651 21.503,652 1.05,653 1.17,654 2.306,655 5.32,656 0.653,657 3.367,658 3.738,659 3.932,660 4.174,661 4.443,662 4.431,663 4.489,664 4.489,665 4.575,666 4.654,667 6.411,668 0.666,669 365.36,670 3.367,671 4.934,672 5.771,673 6.666,674 7.525,675 8.415,676 9.282,677 10.17,678 11.041,679 11.926,680 17.5,684 2,685 1,690 4,694 2,695 4,696 4,700 6,702 17,711 2,712 1,716 1,718 40,719 17,720 1,721 28,723 42,724 15,725 12,726 3,727 3,729 3,730 4,734 1,738 1,741 12,742 3,753 1,754 1,755 3,757 14,758 11,759 5,760 11,764 7,769 0.667,770 1,774 1,776 1,781 3,785 1,802 2,806 1,808 3,810 26,811 2,816 1,817 1,818 1,822 1,828 3,829 2.5,834 1,836 14.417,837 7.395,838 5.556,839 1.982,840 3.377,841 1.466,842 0.998,843 4.81,844 10.629,845 3.624,846 4.29,847 4.869,848 5.475,849 6.071,850 6.3,851 6.614,852 6.877,853 7.28,854 7.388,855 0.857,856 41,857 9.996,859 4.72,860 8.426,861 16.98,863 13.42,865 2.926,866 76.083,870 105.94,871 80.253,872 150.947,874 11,875 44.88,877 80.253,878 116.94,879 195.828,880 10.883,881 2.106,882 94.223,883 96.924,884 82.73,885 4.227,886 94.169,887 7.76,888 105.94,889 231.201,890 55.88,893 107.655,894 55.88,897 25.713,898 118.62,899 85.153,901 150.82,902 161.947,903 80.253,906 113.699,907 24.135,908 48.359,909 18.011,910 188.817,911 105.94,912 206.827,913 80.253,915 0.598,916 0.332,917 0.171,918 0.104,919 20,920 10,921 0.095,922 4,923 1,924 1.125,925 3.685,926 214.714,927 0.125,928 16,929 117.457,933 18.113,934 6.904,935 4.121,936 0.5,937 206.827,938 4.77,939 16.059,943 -0.028,945 83.805,946 393.021,947 36.5,956 41.996,957 46.793,958 0.36,959 0.762,960 0.886,961 0.927,962 0.927,963 0.927,964 4.885,965 1.448,966 5.82,967 5.697,968 4.419,969 4.977,970 3.143,971 6.668,972 4.254,973 6.143,974 1.009,975 7.415,976 4.322,977 4.29,978 4.987,979 3.903,980 7.818,981 3.97,982 7.487,983 0.705,984 9.115,985 2.565,986 6.111,987 7.26,988 5.427,989 10.805,990 5.777,991 8.862,992 0.43,993 10.877,994 1.704,995 6.711,996 7.988,997 6.69,998 12.727,999 6.203,1000 10.263,1001 0.022,1002 12.68,1003 0.638,1004 8.105,1005 9.821,1006 8.058,1007 15.33,1008 7.569,1009 11.683,1010 -0.432,1011 14.513,1012 0.056,1013 9.024,1014 10.91,1015 9.388,1016 17.567,1017 8.327,1018 13.118,1019 -0.536,1020 16.369,1021 -1.138,1022 10.269,1023 12.551,1024 10.734,1025 20.053,1026 9.514,1027 3.331,1028 -0.67,1029 18.243,1030 -1.486,1031 11.333,1032 13.833,1033 12.074,1034 22.415,1035 10.433,1036 3.078,1037 11.729,1038 20.133,1039 -1.763,1040 12.528,1041 15.386,1042 13.416,1043 24.868,1044 11.546,1045 2.642,1046 10.175,1047 22.034,1048 4.491,1049 13.656,1050 16.771,1051 14.758,1052 27.279,1053 12.543,1054 2.406,1055 7.801,1056 23.945,1057 3.97,1058 14.836,1059 18.285,1060 16.1,1061 29.724,1062 13.627,1063 2.094,1064 6.889,1065 25.864,1066 3.247,1067 15.994,1068 19.721,1069 17.441,1070 32.156,1071 14.661,1072 2.015,1073 5.933,1074 27.789,1075 3.18,1076 17.173,1077 21.22,1078 18.783,1079 34.602,1080 15.733,1081 1.933,1082 5.797,1083 29.72,1084 2.811,1085 18.345,1086 22.683,1087 20.124,1088 37.045,1089 16.785,1090 7646,1091 15635,1092 17.8,1093 26.114,1094 42.639,1095 42.625,1096 43.488,1097 42.345,1098 42.224,1099 55.245,1100 10.685,1101 126.611,1102 38.631,1103 5.374,1104 6.461,1105 6.657,1106 5.279,1107 5.331,1108 7.491,1109 5.335,1110 18.771,1111 4.934,1112 16.179,1113 1.523,1114 1.522,1115 1.553,1116 1.512,1117 1.508,1118 1.973,1119 0.382,1120 4.522,1121 1.38,1122 4.039,1123 4.089,1124 4.02,1125 3.888,1126 8.513,1127 3.91,1128 3.937,1129 3.963,1130 3.908,1131 3.817,1132 7.999,1133 3.839,1134 3.534,1135 3.604,1136 3.474,1137 3.334,1138 7.999,1139 3.357,1140 3.368,1141 3.41,1142 3.361,1143 3.057,1144 5.342,1145 3.11,1146 3.246,1147 3.323,1148 3.12,1149 2.969,1150 4.989,1151 2.994,1152 3.101,1153 3.22,1154 2.992,1155 2.784,1156 4.879,1157 2.822,1158 3.046,1159 3.138,1160 2.89,1161 2.762,1162 4.831,1163 2.782,1164 2.753,1165 2.835,1166 2.612,1167 2.586,1168 4.404,1169 2.579,1170 0.162,1171 0.159,1172 0.254,1173 0.15,1174 0.119,1175 4.541,1176 0.16,1177 4.461,1178 0.137,1179 7.122,1180 0.419,1181 4.197,1182 0.105,1183 3.331,1184 4.491,1185 3.825,1186 11.729,1187 2.934,1188 1.931,1189 1.897,1190 2.001,1191 2.114,1192 1.125,1193 2.077,1194 1.881,1195 1.85,1196 1.933,1197 2.011,1198 0.988,1199 1.994,1200 1.457,1201 1.396,1202 1.624,1203 1.697,1204 0.719,1205 1.678,1206 1.217,1207 1.159,1208 1.562,1209 1.55,1210 0.574,1211 1.541,1212 1.125,1213 1.061,1214 1.303,1215 1.451,1216 0.259,1217 1.4,1218 0.983,1219 0.88,1220 1.259,1221 1.376,1222 0.172,1223 1.353,1224 0.948,1225 0.862,1226 1.135,1227 1.272,1228 0.085,1229 1.237,1230 0.741,1231 0.672,1232 1.014,1233 0.973,1235 0.987,1236 4.043,1238 5.398,1240 6.936,1242 8.56,1244 10.231,1246 1.294,1248 38.866,1250 11.231,1252 0.108,1253 2.855,1254 4.914,1258 -4.487,1262 26.649,1263 76.564,1264 162.148,1265 188.612,1266 197.367,1267 197.367,1268 197.367,1269 56.512,1270 7.252,1271 124.86,1272 124.86,1273 18,1274 12.461,1275 4.17,1276 3.248,1277 44.479,1278 103,1279 90,1280 0.216,1281 164.207,1282 281.16,1283 392.425,1284 13478,1285 7.5,1286 18.897,1287 0.727,1288 0.519,1289 16.397,1290 13.502,1291 12.257,1292 0.438,1293 0.261,1294 7.09,1295 11.411,1296 6.993,1297 5.769,1298 11.046,1299 7.308,1300 12.145,1301 0.296,1302 0.129,1303 10.187,1304 5.302,1305 9.055,1306 0.181,1307 0.069,1308 8.065,1309 3.444,1310 7.346,1311 0.115,1312 0.035,1313 6.972,1314 2.243,1315 6.324,1316 0.075,1317 0.018,1318 5.562,1319 1.535,1320 0.341,1321 79.62,1322 0.237,1323 25.1,1324 0.585,1325 138,1326 647.607,1327 169.83,1328 542.958,1329 709.82,1330 502,1331 160,1332 503.841,1333 185.124,1334 490.546,1335 733.49,1336 457,1337 5.721}
{0 CHEMBL23492,1 1.649,2 10,3 2.057,4 4.23,5 84.425,6 8.846,7 0.739,8 3.66,9 3.796,10 3.36,11 3.208,12 4.89,13 3.21,14 4.101,15 4.262,16 3.737,17 3.578,18 5.352,19 3.553,20 4.312,21 4.5,22 3.747,23 3.665,24 5.466,25 3.614,26 4.332,27 4.57,28 3.527,29 3.54,30 5.484,31 3.453,32 4.211,33 4.464,34 3.34,35 3.406,36 5.24,37 3.314,38 4.09,39 4.334,40 3.206,41 3.32,42 5.15,43 3.208,44 3.989,45 4.251,46 3.117,47 3.202,48 4.96,49 3.092,50 3.712,51 3.926,52 3.176,53 3.045,54 4.888,55 2.981,56 0.086,57 0.566,58 5.326,59 2.337,60 11.885,61 2.864,62 0.199,63 0.84,64 9.561,65 4.232,66 19.986,67 5.413,68 0.212,69 0.952,70 15.275,71 5.157,72 22.494,73 6.631,74 0.371,75 0.912,76 17.584,77 5.451,78 40.219,79 7.322,80 0.259,81 0.789,82 14.857,83 4.801,84 30.202,85 6.72,86 0.262,87 0.692,88 13.609,89 4.493,90 29.212,91 6.079,92 0.215,93 0.587,94 15.152,95 4.351,96 24.268,97 5.993,98 0.13,99 0.489,100 8.472,101 2.986,102 15.702,103 3.972,104 10,105 32,106 0.301,107 0.674,108 0.792,109 0.854,110 0.854,111 0.854,112 3.102,113 0.869,114 -4.16,115 -4.1,116 -3.88,119 41.2,125 1,139 5,140 2,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 4,169 2,170 4,172 3,173 3,175 4,178 5,180 1,182 3,187 4,189 4,191 1,192 1,193 2,195 3,196 4,197 1,198 3,200 2,201 2,204 2,205 1,212 2,215 4,218 1,221 2,224 2,225 1,226 1,228 1,229 4,231 1,234 2,241 3,246 4,250 1,251 2,253 1,254 1,256 2,260 5,265 2,268 1,270 2,273 544,274 14.033,275 14.033,276 14.033,277 14.033,278 14.033,279 11.92,280 17.638,281 8.242,282 14.461,283 11.354,284 11.354,285 11.354,286 11.354,287 11.354,288 8.221,289 23.989,290 3.965,291 12.118,292 3.439,293 1.397,294 0.753,295 0.412,296 0.412,297 0.412,298 3.784,299 1,300 1,301 1,302 1,303 452,304 2.345,307 172.441,311 89.815,314 1.429,315 18.295,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 45.333,327 210,328 4.541,329 3.132,330 6.502,331 4.038,332 3.079,333 4.491,334 0.657,335 10.175,336 2.957,337 4.016,338 2.955,339 5.447,340 3.585,341 2.632,342 3.616,344 7.253,345 2.501,346 3.768,347 2.708,348 5.277,349 3.355,350 2.399,351 3.232,353 6.783,354 2.295,355 3.444,356 2.41,357 5.062,358 3.004,359 2.104,360 2.811,362 5.811,363 1.897,364 3.422,365 2.17,366 4.973,367 2.94,368 2.02,369 2.744,371 5.781,372 1.815,373 3.338,374 2.035,375 4.873,376 2.864,377 1.938,378 2.645,380 5.619,381 1.735,382 2.5,383 1.078,384 3.71,385 2,386 1.009,387 1.5,389 2.565,390 1,391 2.454,392 1.046,393 3.414,394 1.945,395 1,396 1.435,398 2.275,399 0.942,400 1.964,401 1,402 3.266,403 1.698,404 0.771,405 0.888,407 1.81,408 0.701,409 1.419,410 0.471,411 2.742,412 0.996,413 0.087,414 0.111,415 0.211,416 0.075,417 1.068,418 0.096,419 2.57,420 0.634,421 -0.233,422 -0.288,423 -0.526,424 -0.173,425 0.957,426 -0.294,427 2.432,428 0.465,429 -0.448,430 -0.578,431 -1.155,432 -0.406,433 0.59,434 -0.444,435 2.106,436 0.153,437 -0.778,438 -0.936,439 -1.975,440 -0.664,441 0.5,442 -0.726,443 2,444 0.113,445 -0.816,446 -1.11,448 -2.38,449 -0.77,450 0.44,451 -0.865,452 1.691,454 -1,455 -1.405,457 -2.876,458 -0.935,459 10.114,460 0.482,461 0.558,462 0.027,463 31.75,464 1.512,465 17.5,466 0.833,467 14.25,468 0.679,469 12.459,470 0.593,471 21.686,472 0.638,473 20.599,474 0.981,475 6.302,476 0.3,477 3.812,478 0.182,479 0.15,481 0.346,485 1.036,486 1.218,487 0.61,488 0.761,489 1.186,490 0.725,491 0.612,492 0.963,493 0.631,494 0.866,495 0.465,496 0.857,497 1.137,498 1.361,499 1.035,500 1.164,501 0.938,502 1.104,503 0.906,504 0.855,505 1.01,506 1.04,507 0.847,508 1.107,509 0.83,510 1.029,511 0.712,512 0.968,513 0.925,514 1.018,515 0.873,516 0.786,517 0.961,518 1.002,519 1.085,520 1.114,521 0.999,522 0.844,523 1.004,524 0.888,525 0.918,526 0.887,527 0.897,528 1.104,529 0.791,530 0.92,531 0.84,532 0.919,533 5,534 0.124,535 2.222,536 1.063,537 1.44,538 0.41,539 0.221,540 0.311,541 0.164,542 0.107,543 4651,544 15427,545 2.074,546 38.2,548 7,550 1,551 5,555 1.626,556 1.938,557 3.278,558 2.845,560 1,562 1,564 56.055,565 1.649,566 3.691,567 4.334,568 4.676,569 4.676,570 4.676,571 2.72,572 3.88,573 4.364,574 3.401,575 714.26,576 7.447,577 7655.78,578 1,579 1,581 1,582 172.974,583 1.418,584 4.322,585 0.217,586 0.014,587 0.069,588 0.034,589 0.06,590 0.02,591 0.013,592 0.019,593 0.01,594 0.008,595 0.466,596 0.33,597 1,598 0.61,599 95.864,600 -0.238,601 -0.031,602 -0.017,603 0.11,604 -0.333,605 0.096,606 0.205,607 0.155,608 0.064,609 0.045,610 0.245,611 0.022,612 -0.211,613 -0.33,614 -0.15,615 -0.223,616 -0.126,617 -0.187,618 0.064,619 0.126,620 -0.136,621 -0.11,622 0.084,623 -0.155,624 -0.024,625 -0.089,626 0.032,627 -0.027,628 -0.046,629 -0.019,630 -0.008,631 0.163,632 -0.115,633 -0.041,634 -0.173,635 -0.12,636 -0.097,637 0.02,638 0.032,639 0.144,640 -0.073,641 0.182,642 0.011,643 -0.127,644 0.122,645 0.051,646 0.126,647 0.053,648 1.542,649 1.844,650 0.762,651 16.29,652 1.014,653 1.135,654 2.931,655 8.592,656 0.704,657 3.178,658 3.497,659 3.714,660 3.951,661 4.205,662 4.159,663 4.174,664 4.277,665 4.369,666 4.317,667 5.72,668 0.678,669 300.78,670 3.178,671 4.71,672 5.541,673 6.409,674 7.258,675 8.127,676 8.983,677 9.853,678 10.714,679 11.586,680 17.6,684 2,685 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,712 1,717 1,718 34,719 17,720 1,721 23,723 36,724 14,725 13,726 2,727 4,729 3,730 4,731 1,741 13,742 1,753 1,754 1,757 13,758 6,759 5,760 7,761 1,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,807 1,810 21,811 2,816 1,817 1,828 1,836 10.833,837 5.91,838 4.556,839 1.762,840 3.298,841 1.484,842 1.03,843 3.773,844 10.109,845 3.481,846 4.143,847 4.734,848 5.334,849 5.941,850 6.131,851 6.427,852 6.799,853 7.204,854 7.214,855 0.857,856 31,857 7.652,859 3.213,860 7.823,861 14.339,863 11.474,865 2.323,866 48.778,870 94.169,871 76.493,872 134.162,873 39.149,877 76.493,878 133.317,879 134.162,881 2.106,882 113.176,883 80.138,884 22.779,885 4.227,886 82.398,887 39.149,888 94.169,889 210.654,891 39.149,893 95.884,897 13.052,898 127.519,899 107.516,901 94.169,902 134.162,903 115.641,906 94.169,907 20.064,908 56.429,909 18.011,910 155.3,911 94.169,912 134.162,913 115.641,915 0.586,916 0.329,917 0.173,918 0.101,919 16,920 7,921 0.083,922 3,923 1,924 1.125,925 3.403,926 157.042,927 0.125,928 16,929 88.239,933 13.86,934 5.716,935 3.149,936 1.19,937 134.162,938 11.12,939 12.243,943 3.104,945 83.805,946 343.972,947 31.5,956 34.469,957 38.595,958 0.324,959 0.725,960 0.852,961 0.919,962 0.919,963 0.919,964 4.694,965 1,966 5.525,967 2.565,968 4.174,969 4.828,970 0.623,971 6.293,972 4.053,973 5.923,974 0.771,975 7.059,976 2.275,977 3.761,978 4.691,980 7.081,981 3.552,982 7.235,983 0.087,984 8.684,985 1.81,986 5.733,987 7.104,988 0.317,989 10.141,990 5.518,991 8.581,992 -0.233,993 10.361,994 0.211,995 6.066,996 7.744,998 11.738,999 5.783,1000 9.953,1001 -0.448,1002 12.073,1003 -0.526,1004 7.541,1005 9.654,1006 0.149,1007 14.336,1008 7.247,1009 11.345,1010 -0.778,1011 13.81,1012 -1.155,1013 8.245,1014 10.698,1016 16.322,1017 7.9,1018 12.755,1019 -0.816,1020 15.568,1021 -1.975,1022 9.506,1023 12.383,1024 0.067,1025 18.75,1026 9.142,1027 3.079,1028 -1,1029 17.342,1030 -2.38,1031 10.409,1032 13.65,1034 20.923,1035 10,1036 2.632,1037 10.175,1038 19.131,1039 -2.876,1040 11.576,1041 15.229,1042 0.03,1043 23.286,1044 11.142,1045 2.399,1046 7.253,1047 20.933,1048 4.491,1049 12.583,1050 16.612,1052 25.541,1053 12.107,1054 2.104,1055 6.783,1056 22.746,1057 3.616,1058 13.713,1059 18.144,1060 0.013,1061 27.878,1062 13.206,1063 2.02,1064 5.811,1065 24.569,1066 3.232,1067 14.774,1068 19.587,1070 30.17,1071 14.227,1072 1.938,1073 5.781,1074 26.399,1075 2.811,1076 15.891,1077 21.098,1078 0.006,1079 32.497,1080 15.31,1081 1.009,1082 5.619,1083 28.237,1084 2.744,1085 16.979,1086 22.57,1088 34.804,1089 16.359,1090 4506,1091 8308,1092 15.315,1093 23.938,1094 34.34,1095 34.671,1096 34.962,1097 34.24,1098 34.079,1099 46.945,1100 1.315,1101 96.565,1102 31.838,1103 5.363,1104 5.132,1105 5.916,1106 5.113,1107 5.079,1108 7.491,1109 1.315,1110 17.069,1111 4.957,1112 9.979,1113 1.493,1114 1.507,1115 1.52,1116 1.489,1117 1.482,1118 2.041,1119 0.057,1120 4.198,1121 1.384,1122 4.055,1123 4.098,1124 4.039,1125 3.935,1126 5.324,1127 3.952,1128 3.895,1129 3.925,1130 3.976,1131 3.828,1132 4.982,1133 3.823,1134 3.529,1135 3.596,1136 3.505,1137 3.348,1138 4.949,1139 3.368,1140 3.169,1141 3.259,1142 3.326,1143 2.944,1144 4.811,1145 2.958,1146 3.108,1147 3.221,1148 3.003,1149 2.812,1150 4.415,1151 2.849,1152 2.854,1153 2.925,1154 2.915,1155 2.735,1156 4.169,1157 2.715,1158 2.818,1159 2.879,1160 2.687,1161 2.664,1162 3.952,1163 2.666,1164 2.641,1165 2.754,1166 2.498,1167 2.342,1168 3.703,1169 2.355,1170 0.197,1171 0.136,1172 0.283,1173 0.176,1174 0.134,1175 4.541,1176 0.195,1177 3.132,1178 0.029,1179 6.502,1180 0.442,1181 4.038,1182 0.129,1183 3.079,1184 4.491,1185 0.657,1186 10.175,1187 2.957,1188 1.978,1189 1.945,1190 2.044,1191 2.122,1192 1.168,1193 2.099,1194 1.874,1195 1.848,1196 1.958,1197 1.969,1198 1.047,1199 1.975,1200 1.464,1201 1.404,1202 1.616,1203 1.683,1204 0.724,1205 1.673,1206 1.082,1207 1.002,1208 1.317,1209 1.393,1210 0.223,1211 1.383,1212 0.994,1213 0.897,1214 1.255,1215 1.36,1216 0.218,1217 1.342,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.05,1223 1.107,1224 0.762,1225 0.708,1226 0.965,1227 0.981,1229 0.987,1230 0.598,1231 0.479,1232 0.939,1233 0.914,1235 0.932,1236 3.85,1238 5.165,1240 6.673,1242 8.274,1244 9.923,1247 5.849,1250 11.388,1252 0.606,1253 3.279,1262 23.063,1263 56.055,1264 125.49,1265 147.364,1266 158.974,1267 158.974,1268 158.974,1269 25.762,1270 6.811,1271 102.74,1272 102.74,1273 18,1274 12.13,1275 4.17,1276 3.248,1277 32.418,1278 72,1279 73,1280 0.222,1281 148.562,1282 241.07,1283 354.252,1284 7763,1285 2.9,1286 14.82,1287 0.706,1288 0.562,1289 15.32,1290 11.801,1291 10.114,1292 0.44,1293 0.29,1294 6.231,1295 9.472,1296 6.078,1297 5.041,1298 10.403,1299 6.665,1300 9.36,1301 0.293,1302 0.156,1303 9.768,1304 4.979,1305 7.485,1306 0.187,1307 0.081,1308 7.774,1309 3.248,1310 6.123,1311 0.12,1312 0.041,1313 6.289,1314 2.09,1315 5.137,1316 0.078,1317 0.022,1318 5.372,1319 1.479,1320 0.351,1321 66.163,1322 0.256,1323 21.037,1324 0.599,1325 110,1326 322.096,1327 135.4,1328 353.048,1329 477.49,1330 328,1331 127,1332 337.342,1333 146.251,1334 354.604,1335 514.21,1336 333,1337 6.143}
{0 CHEMBL23495,1 1.914,2 10.423,3 2.025,4 4.099,5 89.156,6 9.134,7 0.607,8 3.848,9 3.974,10 3.545,11 3.257,12 5.166,13 3.326,14 4.35,15 4.511,16 4.001,17 3.595,18 6.128,19 3.667,20 4.458,21 4.629,22 4.001,23 3.702,24 5.873,25 3.756,26 4.57,27 4.768,28 3.901,29 3.678,30 5.977,31 3.706,32 4.55,33 4.775,34 3.755,35 3.616,36 5.865,37 3.606,38 4.498,39 4.739,40 3.68,41 3.511,42 5.852,43 3.487,44 4.376,45 4.62,46 3.612,47 3.389,48 5.709,49 3.416,50 4.243,51 4.449,52 3.61,53 3.272,54 5.838,55 3.344,56 0.29,57 0.85,58 5.492,59 2.816,60 39.97,61 3.04,62 1.022,63 1.537,64 12.956,65 4.917,66 149.866,67 5.406,68 0.651,69 1.368,70 12.703,71 5.208,72 54.156,73 6.022,74 0.963,75 1.362,76 17.484,77 6.282,78 110.231,79 6.85,80 0.939,81 1.183,82 18.59,83 5.654,84 95.975,85 7.331,86 1.129,87 0.993,88 20.312,89 5.909,90 121.144,91 7.872,92 0.898,93 1.101,94 18.889,95 5.282,96 112.743,97 6.47,98 0.896,99 1.034,100 14.089,101 4.078,102 113.15,103 4.066,104 41,105 41,106 0.338,107 0.716,108 0.833,109 0.872,110 0.872,111 0.872,112 3.304,113 0.784,114 -3.54,115 -3.51,116 -3.35,119 37.5,124 1,125 1,131 1,139 3,140 1,141 2,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 1,172 3,173 3,175 1,178 2,181 3,182 2,184 1,185 3,187 2,189 1,192 1,193 1,195 3,196 4,197 1,198 1,200 2,205 1,207 1,209 1,210 1,220 1,221 3,224 2,225 1,228 1,233 1,234 3,246 3,250 1,251 1,253 1,256 1,259 2,260 4,262 1,263 1,265 2,270 2,273 936,274 16.875,275 16.875,276 16.875,277 16.875,278 16.875,279 14.853,280 23.036,281 9.592,282 17.641,283 13.744,284 13.744,285 13.744,286 13.744,287 13.744,288 10.577,289 31.483,290 4.468,291 14.998,292 3.408,293 1.268,294 0.607,295 0.388,296 0.388,297 0.388,298 3.98,300 1,301 1,302 1,303 569,304 3.606,307 225.216,311 116.826,314 1.544,315 47.824,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 61,327 271,328 4.541,329 4.461,330 7.119,331 4.196,332 3.329,333 4.491,334 3.825,335 11.707,336 2.943,337 4.485,338 3.146,339 6.502,340 4.021,341 3.079,342 4.003,343 0.86,344 10.175,345 2.897,346 4.072,347 3.086,348 6.13,349 3.723,350 2.797,351 3.361,352 0.657,353 8.992,354 2.536,355 3.765,356 2.638,357 5.311,358 3.343,359 2.4,360 3.227,362 6.878,363 2.263,364 3.429,365 2.197,366 5.062,367 2.97,368 2.045,369 2.811,371 5.803,372 1.885,373 3.375,374 2.092,375 4.971,376 2.885,377 1.966,378 2.699,380 5.757,381 1.805,382 2.941,383 2.039,384 4.636,385 2.544,386 1.639,387 2.067,389 4.791,390 1.495,391 2.918,392 1.824,393 4.366,394 2.514,395 1.572,396 2.047,398 4.19,399 1.421,400 2.454,401 1.06,402 3.71,403 1.919,404 1.008,405 1.434,407 2.565,408 0.918,409 1.99,410 1.053,411 3.284,412 1.684,413 0.748,414 0.901,415 1.751,416 0.697,417 1.68,418 0.899,419 3.013,420 1.393,421 0.517,422 0.578,423 0.903,424 0.448,425 1.344,426 0.51,427 2.764,428 0.93,429 0.021,430 0.027,431 0.049,432 0.019,433 0.977,434 0.51,435 2.652,436 0.527,437 -0.393,438 -0.478,439 -0.831,440 -0.358,441 0.849,442 0.231,443 2.531,444 0.452,445 -0.46,446 -0.583,448 -1.158,449 -0.418,450 0.673,451 -0.022,452 2.391,453 0.268,454 -0.688,455 -0.856,457 -1.887,458 -0.651,459 11.49,460 0.442,461 0.898,462 0.035,463 36.25,464 1.394,465 18,466 0.692,467 18.25,468 0.702,469 17.895,470 0.688,471 29.31,472 0.733,473 29.589,474 1.138,475 7.492,476 0.288,477 4.782,478 0.184,479 0.188,480 0.044,481 0.348,482 3,485 0.767,486 1.143,487 0.646,488 1.069,489 0.735,490 0.852,491 0.598,492 0.777,493 0.595,494 0.856,495 0.395,496 0.768,497 0.736,498 1.018,499 0.798,500 1.107,501 0.578,502 1.015,503 1.106,504 1.087,505 1.149,506 1.168,507 1.025,508 1.188,509 0.859,510 0.869,511 1.12,512 1.102,513 0.824,514 1.202,515 0.654,516 0.769,517 0.943,518 0.932,519 0.753,520 1.039,521 1.17,522 1.108,523 0.949,524 0.888,525 1.168,526 0.824,527 1.551,528 1.215,529 1.297,530 0.982,531 1.679,532 0.996,533 7.5,534 0.26,535 3.556,536 1.875,537 1.951,538 0.993,539 0.468,540 0.42,541 0.316,542 0.266,543 7652,544 31518,545 1.983,546 35,548 8,550 1,551 5,555 1.69,556 1.803,557 3.343,558 2.71,559 1,560 1,564 76.564,565 1.914,566 4.054,567 4.715,568 4.934,569 4.934,570 4.934,571 2.738,572 4.287,573 4.677,574 3.518,575 1143.51,576 8.096,577 14418.4,578 1,579 1,581 1,582 212.877,583 1.717,584 4.592,585 0.268,586 0.013,587 0.087,588 0.045,589 0.054,590 0.033,591 0.017,592 0.016,593 0.012,594 0.011,595 0.556,596 0.17,597 1,598 0.954,599 127.489,600 -0.154,601 -0.164,602 -0.015,603 -0.026,604 -0.183,605 0.05,606 0.319,607 0.263,608 0.225,609 0.16,610 0.458,611 0.146,612 -0.052,613 -0.127,614 -0.033,615 -0.138,616 0.004,617 -0.096,618 -0.183,619 -0.107,620 -0.24,621 -0.178,622 -0.132,623 -0.23,624 -0.053,625 -0.024,626 -0.168,627 -0.144,628 -0.069,629 -0.196,630 0.213,631 0.034,632 0.102,633 0.038,634 0.051,635 0.026,636 -0.15,637 -0.159,638 0.14,639 0.123,640 -0.123,641 0.246,642 -0.26,643 0.041,644 -0.286,645 0.02,646 -0.264,647 -0.089,648 5.711,649 4.889,650 0.615,651 21.385,652 1.05,653 1.17,654 2.306,655 5.32,656 0.653,657 3.367,658 3.738,659 3.951,660 4.174,661 4.419,662 4.477,663 4.511,664 4.466,665 4.605,666 4.673,667 6.321,668 0.666,669 365.36,670 3.367,671 4.934,672 5.778,673 6.671,674 7.533,675 8.424,676 9.293,677 10.183,678 11.055,679 11.943,680 17.5,684 2,685 1,690 4,694 2,695 4,696 4,700 6,702 17,711 2,712 1,716 1,718 40,719 17,720 1,721 28,723 42,724 15,725 12,726 3,727 3,729 3,730 4,734 1,738 1,741 12,742 3,753 1,754 1,755 3,757 14,758 11,759 5,760 11,764 7,769 0.667,770 1,774 1,776 1,781 3,785 1,802 2,806 1,808 3,810 26,811 2,816 1,817 1,818 1,822 1,828 3,829 2.5,834 1,836 14.417,837 7.395,838 5.583,839 1.989,840 3.415,841 1.471,842 0.998,843 4.81,844 10.667,845 3.624,846 4.29,847 4.881,848 5.469,849 6.062,850 6.321,851 6.614,852 6.872,853 7.293,854 7.398,855 0.857,856 42,857 9.981,859 4.703,860 8.426,861 16.98,863 13.424,865 2.926,866 76.083,870 105.94,871 80.253,872 150.947,874 11,875 44.88,877 80.253,878 116.94,879 195.828,880 10.883,881 2.106,882 94.223,883 96.924,884 82.73,885 4.227,886 94.169,887 7.76,888 105.94,889 231.201,890 55.88,893 107.655,894 55.88,897 25.713,898 118.62,899 85.153,901 150.82,902 161.947,903 80.253,906 113.699,907 24.135,908 48.359,909 18.011,910 188.817,911 105.94,912 206.827,913 80.253,915 0.598,916 0.339,917 0.172,918 0.097,919 20,920 10,921 0.095,922 4,923 1,924 1.125,925 3.673,926 215.52,927 0.125,928 16,929 117.457,933 18.113,934 6.904,935 3.953,936 0.491,937 206.827,938 4.57,939 16.067,943 0.117,945 83.805,946 393.021,947 36.5,956 41.996,957 46.793,958 0.36,959 0.762,960 0.886,961 0.927,962 0.927,963 0.927,964 4.885,965 1.572,966 5.826,967 4.791,968 4.419,969 4.977,970 3.143,971 6.683,972 4.254,973 6.143,974 1.008,975 7.43,976 4.19,977 4.29,978 4.987,979 3.903,980 7.861,981 3.97,982 7.489,983 0.748,984 9.14,985 2.565,986 6.12,987 7.266,988 5.427,989 10.848,990 5.786,991 8.869,992 0.517,993 10.913,994 1.751,995 6.735,996 8.011,997 6.69,998 12.79,999 6.232,1000 10.275,1001 0.021,1002 12.726,1003 0.903,1004 8.13,1005 9.84,1006 8.058,1007 15.384,1008 7.597,1009 11.7,1010 -0.393,1011 14.566,1012 0.049,1013 9.061,1014 10.941,1015 9.388,1016 17.621,1017 8.372,1018 13.14,1019 -0.46,1020 16.428,1021 -0.831,1022 10.305,1023 12.577,1024 10.734,1025 20.097,1026 9.558,1027 3.329,1028 -0.688,1029 18.306,1030 -1.158,1031 11.373,1032 13.866,1033 12.074,1034 22.451,1035 10.487,1036 3.079,1037 11.707,1038 20.196,1039 -1.887,1040 12.565,1041 15.415,1042 13.416,1043 24.894,1044 11.598,1045 2.797,1046 10.175,1047 22.097,1048 4.491,1049 13.692,1050 16.801,1051 14.758,1052 27.296,1053 12.6,1054 2.4,1055 8.992,1056 24.006,1057 4.003,1058 14.869,1059 18.312,1060 16.1,1061 29.733,1062 13.682,1063 2.045,1064 6.878,1065 25.922,1066 3.361,1067 16.024,1068 19.748,1069 17.441,1070 32.158,1071 14.717,1072 1.966,1073 5.803,1074 27.843,1075 3.227,1076 17.199,1077 21.244,1078 18.783,1079 34.597,1080 15.788,1081 1.639,1082 5.757,1083 29.77,1084 2.811,1085 18.368,1086 22.706,1087 20.124,1088 37.034,1089 16.84,1090 7559,1091 15496,1092 17.8,1093 26.114,1094 42.704,1095 42.477,1096 43.778,1097 42.388,1098 42.241,1099 55.289,1100 10.685,1101 127.119,1102 38.654,1103 5.381,1104 6.461,1105 6.66,1106 5.277,1107 5.329,1108 7.491,1109 5.335,1110 18.711,1111 4.943,1112 16.165,1113 1.525,1114 1.517,1115 1.564,1116 1.514,1117 1.509,1118 1.975,1119 0.382,1120 4.54,1121 1.38,1122 4.039,1123 4.089,1124 4.02,1125 3.888,1126 8.513,1127 3.91,1128 3.937,1129 3.964,1130 3.908,1131 3.817,1132 7.999,1133 3.839,1134 3.533,1135 3.603,1136 3.478,1137 3.334,1138 7.999,1139 3.356,1140 3.387,1141 3.428,1142 3.374,1143 3.083,1144 5.342,1145 3.136,1146 3.181,1147 3.273,1148 3.036,1149 2.896,1150 4.989,1151 2.917,1152 3.101,1153 3.22,1154 2.992,1155 2.801,1156 4.881,1157 2.822,1158 3.086,1159 3.169,1160 2.94,1161 2.779,1162 4.83,1163 2.813,1164 2.803,1165 2.881,1166 2.679,1167 2.635,1168 4.354,1169 2.64,1170 0.162,1171 0.159,1172 0.254,1173 0.15,1174 0.119,1175 4.541,1176 0.16,1177 4.461,1178 0.137,1179 7.119,1180 0.418,1181 4.196,1182 0.105,1183 3.329,1184 4.491,1185 3.825,1186 11.707,1187 2.943,1188 1.931,1189 1.897,1190 2.001,1191 2.114,1192 1.125,1193 2.077,1194 1.881,1195 1.85,1196 1.934,1197 2.011,1198 0.988,1199 1.994,1200 1.457,1201 1.394,1202 1.619,1203 1.693,1204 0.719,1205 1.675,1206 1.232,1207 1.182,1208 1.572,1209 1.564,1210 0.577,1211 1.55,1212 1.086,1213 0.999,1214 1.304,1215 1.419,1216 0.227,1217 1.389,1218 0.981,1219 0.903,1220 1.259,1221 1.375,1222 0.198,1223 1.35,1224 0.967,1225 0.873,1226 1.138,1227 1.295,1228 0.084,1229 1.242,1230 0.784,1231 0.714,1232 1.015,1233 1.012,1235 1.032,1236 4.043,1238 5.398,1240 6.942,1242 8.573,1244 10.248,1246 1.367,1248 38.668,1250 11.238,1252 0.088,1253 2.855,1254 5.084,1258 -4.461,1262 26.649,1263 76.564,1264 162.148,1265 188.612,1266 197.367,1267 197.367,1268 197.367,1269 56.745,1270 7.252,1271 124.86,1272 124.86,1273 18,1274 12.476,1275 4.17,1276 3.248,1277 44.421,1278 101,1279 90,1280 0.219,1281 164.207,1282 281.16,1283 392.425,1284 13478,1285 7.5,1286 18.897,1287 0.727,1288 0.519,1289 16.397,1290 13.502,1291 12.274,1292 0.438,1293 0.261,1294 7.096,1295 11.434,1296 7.002,1297 5.775,1298 11.063,1299 7.314,1300 12.039,1301 0.294,1302 0.128,1303 10.081,1304 5.267,1305 9.202,1306 0.18,1307 0.068,1308 8.239,1309 3.488,1310 7.487,1311 0.117,1312 0.036,1313 6.936,1314 2.276,1315 6.015,1316 0.073,1317 0.018,1318 5.573,1319 1.495,1320 0.345,1321 79.721,1322 0.237,1323 25.045,1324 0.598,1325 138,1326 647.607,1327 169.83,1328 542.699,1329 710.38,1330 502,1331 161,1332 504.841,1333 186.678,1334 491.127,1335 736.29,1336 458,1337 4.678}
{0 CHEMBL23532,1 1.667,2 10.963,3 1.829,4 3.346,5 104.051,6 7.56,7 0.586,8 4.008,9 4.135,10 3.572,11 3.422,12 5.206,13 3.445,14 4.498,15 4.681,16 3.91,17 3.766,18 5.639,19 3.779,20 4.59,21 4.732,22 4.066,23 3.941,24 5.754,25 3.947,26 4.794,27 4.971,28 4.076,29 4.026,30 5.972,31 3.984,32 4.966,33 5.208,34 3.826,35 3.997,36 5.963,37 3.915,38 4.812,39 5.059,40 3.607,41 3.882,42 5.759,43 3.76,44 4.735,45 5.03,46 3.513,47 3.766,48 5.57,49 3.634,50 4.578,51 4.853,52 3.6,53 3.629,54 5.527,55 3.549,56 0.117,57 0.737,58 10.236,59 3.741,60 13.492,61 5.127,62 0.479,63 1.063,64 19.638,65 6.249,66 36.601,67 8.398,68 0.433,69 1.273,70 19.386,71 6.631,72 22.878,73 9.335,74 0.544,75 1.429,76 24.873,77 8.831,78 42.849,79 12.419,80 0.866,81 1.43,82 34.186,83 8.603,84 69.164,85 13.119,86 0.64,87 1.239,88 28.862,89 8.651,90 51.903,91 12.742,92 0.458,93 1.094,94 28.024,95 8.22,96 44.08,97 12.983,98 0.442,99 0.935,100 23.757,101 7.229,102 38.499,103 11.041,104 46,105 41,106 0.283,107 0.625,108 0.749,109 0.772,110 0.782,111 0.81,112 3.34,113 0.847,114 -2.64,115 -2.66,116 -2.59,119 36.7,120 1,124 3,125 1,139 2,140 3,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 6,172 3,173 3,175 4,178 4,180 1,181 2,182 5,187 2,191 1,192 2,193 7,195 3,196 6,197 1,198 5,200 2,201 2,204 3,205 1,210 1,212 1,215 2,218 1,221 4,224 2,225 1,226 2,228 1,229 4,231 2,234 3,245 2,246 9,250 1,251 2,253 1,256 2,259 1,260 2,273 1015,274 18.196,275 18.196,276 18.196,277 18.196,278 18.196,279 16.062,280 27.046,281 10.393,282 18.997,283 14.076,284 14.076,285 14.076,286 14.076,287 14.076,288 10.65,289 40.052,290 4.61,291 15.087,292 3.948,293 1.932,294 1.2,295 1.062,296 1.006,297 0.837,298 4.018,300 1,301 1,302 1,303 621,304 3.162,307 237.221,311 125.42,314 1.525,315 27.151,317 1,318 1,319 0.83,320 1,321 1,323 1,324 1,325 0.83,326 60,327 296,328 4.654,329 3.375,330 6.835,331 4.185,332 3.212,333 4.616,334 0.86,335 11.231,336 3.13,337 4.42,338 3.311,339 6.523,340 4.004,341 3.061,342 4.104,343 0.86,344 10.257,345 2.881,346 3.91,347 2.768,348 5.804,349 3.511,350 2.555,351 3.412,352 0.86,353 7.875,354 2.441,355 3.565,356 2.555,357 5.289,358 3.199,359 2.255,360 2.883,361 0.657,362 6.728,363 2.122,364 3.452,365 2.475,366 5.19,367 2.973,368 2.061,369 2.859,371 6.118,372 1.9,373 3.372,374 2.184,375 5.095,376 2.972,377 2.038,378 2.694,380 5.902,381 1.867,382 3.355,383 2.049,384 5.006,385 2.896,386 1.97,387 2.604,389 5.788,390 1.817,391 2.707,392 1.952,393 4.248,394 2.316,395 1.365,396 1.778,398 3.553,399 1.295,400 2.246,401 1.628,402 3.809,403 2.005,404 1.17,405 1.23,407 2.537,408 0.973,409 1.968,410 1.097,411 3.31,412 1.703,413 0.786,414 0.901,415 1.744,416 0.717,417 1.576,418 0.924,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.446,426 0.916,427 2.838,428 1.174,429 0.328,430 0.352,431 0.445,432 0.275,433 1.334,434 0.352,435 2.809,436 0.976,437 0.054,438 0.067,439 0.12,440 0.05,441 1.188,442 0.117,443 2.594,444 0.836,445 -0.116,446 -0.142,448 -0.3,449 -0.11,450 0.936,451 0.047,452 2.486,453 0.516,454 -0.398,455 -0.493,457 -0.81,458 -0.36,459 12.4,460 0.459,461 0.695,462 0.026,463 37.5,464 1.389,465 19,466 0.704,467 18.5,468 0.685,469 20.76,470 0.769,471 30.2,472 0.616,473 29.238,474 1.083,475 7.785,476 0.288,477 5.192,478 0.192,479 0.226,481 0.403,485 1.04,486 1.461,487 0.811,488 1.203,489 1.178,490 0.979,491 1.259,492 0.78,493 0.744,494 0.677,495 0.821,496 0.63,497 0.914,498 1.409,499 0.882,500 1.163,501 0.862,502 1.027,503 0.687,504 1.335,505 1.012,506 1.436,507 0.609,508 1.325,509 1.465,510 0.924,511 1.31,512 0.924,513 1.41,514 1.058,515 1.097,516 0.917,517 1.248,518 1.09,519 1.081,520 1.193,521 0.675,522 0.832,523 0.827,524 0.889,525 0.764,526 0.882,527 0.623,528 0.838,529 0.587,530 0.841,531 0.505,532 0.735,533 6,534 0.206,535 3.333,536 2.75,537 2.333,538 0.882,539 0.384,540 0.451,541 0.283,542 0.298,543 8309,544 24995,545 1.992,546 44.9,547 3,548 13,550 1,551 5,555 1.7,556 1.82,557 3.389,558 2.584,559 1,560 1,564 81.69,565 1.667,566 3.682,567 4.415,568 4.553,569 4.609,570 4.778,571 2.834,572 4.282,573 4.731,574 3.549,575 1245.77,576 8.205,577 16015.3,579 1,581 1,582 275.121,583 1.541,584 4.659,585 0.207,586 0.009,587 0.081,588 0.059,589 0.053,590 0.027,591 0.015,592 0.018,593 0.01,594 0.011,595 0.49,596 0.17,597 1,598 1.011,599 133.844,600 -0.14,601 -0.187,602 0.034,603 -0.092,604 -0.233,605 0.005,606 -0.077,607 0.301,608 0.215,609 0.349,610 0.118,611 0.334,612 0.052,613 -0.193,614 -0.007,615 -0.079,616 -0.031,617 -0.05,618 0.211,619 -0.205,620 -0.113,621 -0.379,622 0.251,623 -0.336,624 -0.319,625 0.036,626 -0.301,627 0.005,628 -0.347,629 -0.12,630 -0.163,631 0.037,632 -0.272,633 -0.103,634 -0.209,635 -0.202,636 0.02,637 0.034,638 0.165,639 0.099,640 0.018,641 0.161,642 0.217,643 0.016,644 0.419,645 0.165,646 0.34,647 0.31,648 1.56,649 2.003,650 0.593,651 22.733,652 1.014,653 1.142,654 1.415,655 2.002,656 0.643,657 3.401,658 3.738,659 4.043,660 4.317,661 4.5,662 4.533,663 4.543,664 4.625,665 4.71,666 4.771,667 6.429,668 0.622,669 370.46,670 3.401,671 4.949,672 5.814,673 6.708,674 7.587,675 8.484,676 9.367,677 10.264,678 11.149,679 12.046,680 12.2,684 2,685 1,690 3,694 2,695 3,696 3,700 8,702 17,711 2,712 1,716 3,718 49,719 17,720 1,721 29,723 51,724 18,725 13,726 4,727 2,729 3,730 4,734 1,741 13,742 5,753 1,754 1,757 22,758 9,759 5,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 4,810 27,811 2,816 1,817 1,818 3,829 6.1,834 3,836 14.833,837 10.017,838 6.167,839 2.463,840 3.389,841 1.462,842 0.967,843 5.723,844 10.723,845 3.651,846 4.317,847 4.963,848 5.577,849 6.129,850 6.408,851 6.678,852 7.006,853 7.379,854 7.537,855 1,856 47,857 9.87,859 4.039,860 7.802,861 18.48,863 14.32,865 2.302,866 62.167,870 200.109,871 104.953,872 134.162,874 33,877 104.953,878 233.108,879 134.162,880 41.474,881 2.106,882 84.747,883 80.138,884 71.194,885 4.227,886 188.338,888 200.109,889 239.115,890 33,893 201.824,894 33,897 21.877,898 147.155,899 68.367,901 200.109,902 167.161,903 104.953,906 200.109,907 35.479,908 69.474,909 18.011,910 149.151,911 200.109,912 167.161,913 104.953,915 0.578,916 0.365,917 0.208,918 0.107,919 19,920 10,921 0.118,922 6,923 1,924 1.125,925 3.724,926 228.859,927 0.125,928 16,929 120.382,933 19.261,934 8.022,935 3.793,936 1.183,937 167.161,938 5.418,939 12.503,943 4.81,945 83.805,946 472.224,947 37.5,956 49.662,957 55.94,958 0.297,959 0.656,960 0.786,961 0.811,962 0.821,963 0.851,964 4.892,965 1.365,966 5.82,967 5.788,968 4.419,969 5.004,970 1.841,971 6.673,972 4.296,973 6.132,974 1.17,975 7.412,976 3.553,977 4.111,978 5.007,980 7.67,981 3.968,982 7.471,983 0.786,984 9.101,985 2.537,986 6.057,987 7.323,988 1.538,989 10.778,990 5.849,991 8.849,992 0.396,993 10.846,994 1.744,995 6.538,996 8.113,998 12.575,999 6.311,1000 10.256,1001 0.328,1002 12.627,1003 0.603,1004 7.978,1005 9.943,1006 1.278,1007 15.224,1008 7.704,1009 11.684,1010 0.054,1011 14.433,1012 0.445,1013 8.823,1014 11.105,1016 17.364,1017 8.526,1018 13.129,1019 -0.116,1020 16.257,1021 0.12,1022 10.074,1023 12.745,1024 1.053,1025 19.854,1026 9.74,1027 3.212,1028 -0.398,1029 18.097,1030 -0.3,1031 11.087,1032 14.09,1034 22.142,1035 10.726,1036 3.061,1037 11.231,1038 19.949,1039 -0.81,1040 12.268,1041 15.651,1042 0.858,1043 24.574,1044 11.875,1045 2.555,1046 10.257,1047 21.811,1048 4.616,1049 13.357,1050 17.085,1052 26.925,1053 12.935,1054 2.255,1055 7.875,1056 23.68,1057 4.104,1058 14.514,1059 18.615,1060 0.691,1061 29.335,1062 14.062,1063 2.061,1064 6.728,1065 25.557,1066 3.412,1067 15.636,1068 20.091,1070 31.714,1071 15.156,1072 2.038,1073 6.118,1074 27.439,1075 2.883,1076 16.786,1077 21.611,1078 0.549,1079 34.118,1080 16.277,1081 1.97,1082 5.902,1083 29.326,1084 2.859,1085 17.924,1086 23.108,1088 36.51,1089 17.387,1090 8238,1091 14410,1092 18.611,1093 31.489,1094 42.386,1095 43.89,1096 45.749,1097 42.339,1098 42.501,1099 55.903,1100 6.475,1101 125.8,1102 39.621,1103 5.49,1104 5.375,1105 6.378,1106 5.26,1107 5.212,1108 7.616,1109 1.72,1110 18.467,1111 5.13,1112 16.525,1113 1.462,1114 1.513,1115 1.578,1116 1.46,1117 1.466,1118 1.928,1119 0.223,1120 4.338,1121 1.366,1122 4.074,1123 4.113,1124 4.05,1125 3.96,1126 5.322,1127 3.977,1128 3.928,1129 3.942,1130 3.894,1131 3.818,1132 4.984,1133 3.834,1134 3.556,1135 3.621,1136 3.487,1137 3.362,1138 4.978,1139 3.387,1140 3.303,1141 3.374,1142 3.177,1143 3.043,1144 4.806,1145 3.063,1146 3.302,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.209,1153 3.289,1154 3.05,1155 2.943,1156 4.472,1157 2.949,1158 3.165,1159 3.26,1160 2.981,1161 2.894,1162 4.339,1163 2.895,1164 3.046,1165 3.153,1166 2.863,1167 2.785,1168 4.155,1169 2.795,1170 0.16,1171 0.116,1172 0.236,1173 0.144,1174 0.111,1175 4.654,1176 0.159,1177 3.375,1178 0.03,1179 6.835,1180 0.387,1181 4.185,1182 0.108,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.13,1188 1.998,1189 1.967,1190 2.061,1191 2.133,1192 1.228,1193 2.112,1194 1.865,1195 1.853,1196 1.939,1197 2.002,1198 1.064,1199 1.981,1200 1.481,1201 1.422,1202 1.637,1203 1.718,1204 0.737,1205 1.701,1206 1.237,1207 1.164,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.573,1215 1.536,1216 0.572,1217 1.546,1218 1.169,1219 1.082,1220 1.559,1221 1.497,1222 0.561,1223 1.519,1224 1.135,1225 1.046,1226 1.492,1227 1.408,1228 0.553,1229 1.431,1230 0.991,1231 0.893,1232 1.268,1233 1.341,1234 0.183,1235 1.342,1236 4.078,1238 5.407,1240 6.95,1242 8.597,1244 10.298,1246 6.669,1250 11.641,1252 0.511,1253 3.336,1254 16.095,1262 30.487,1263 81.69,1264 180.434,1265 216.327,1266 223.082,1267 225.837,1268 234.101,1269 43.297,1270 7.334,1271 130.43,1272 130.43,1273 18,1274 12.572,1275 4.17,1276 3.248,1277 47.089,1278 107,1279 93,1280 0.221,1281 190.588,1282 321.43,1283 456.794,1284 14587,1286 19.552,1287 0.724,1288 0.58,1289 19.552,1290 15.66,1291 12.977,1292 0.447,1293 0.282,1294 7.981,1295 12.189,1296 7.662,1297 6.456,1298 12.977,1299 8.191,1300 11.411,1301 0.278,1302 0.142,1303 11.411,1304 5.842,1305 9.889,1306 0.177,1307 0.076,1308 9.889,1309 4.282,1310 8.675,1311 0.117,1312 0.039,1313 8.675,1314 2.892,1315 6.547,1316 0.074,1317 0.021,1318 6.547,1319 1.837,1320 0.347,1321 83.511,1322 0.232,1323 25.796,1324 0.604,1325 140,1326 463.099,1327 158.516,1328 438.159,1329 602.06,1330 412,1331 167,1332 446.115,1333 186.015,1334 454.831,1335 662.57,1336 421,1337 8.523}
{0 CHEMBL23560,1 1.628,2 10.13,3 1.568,4 2.46,5 88.224,6 7.785,7 0.68,8 3.814,9 3.955,10 3.407,11 3.265,12 5.027,13 3.284,14 4.28,15 4.468,16 3.754,17 3.604,18 5.473,19 3.609,20 4.42,21 4.608,22 3.813,23 3.715,24 5.608,25 3.704,26 4.505,27 4.727,28 3.661,29 3.707,30 5.636,31 3.635,32 4.522,33 4.787,34 3.475,35 3.629,36 5.49,37 3.527,38 4.405,39 4.668,40 3.347,41 3.481,42 5.405,43 3.395,44 4.238,45 4.493,46 3.277,47 3.398,48 5.223,49 3.309,50 4.191,51 4.467,52 3.253,53 3.3,54 5.19,55 3.225,56 0.09,57 0.657,58 7.874,59 2.746,60 11.973,61 3.879,62 0.295,63 0.953,64 14.464,65 4.746,66 27.054,67 6.678,68 0.327,69 1.094,70 16.242,71 5.052,72 28.104,73 7.302,74 0.399,75 1.077,76 18.844,77 6.085,78 37.979,79 8.976,80 0.321,81 0.987,82 21.058,83 6.25,84 37.342,85 9.757,86 0.442,87 0.854,88 19.274,89 5.158,90 39.603,91 7.823,92 0.258,93 0.764,94 15.492,95 4.67,96 25.635,97 7.278,98 0.296,99 0.696,100 15.726,101 4.467,102 28.931,103 7.037,104 18,105 35,106 0.288,107 0.683,108 0.833,109 0.872,110 0.872,111 0.872,112 3.188,113 0.84,114 -3.16,115 -3.16,116 -3.03,119 37.5,120 1,124 1,125 1,139 3,140 1,141 2,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 2,172 3,173 3,175 2,178 4,181 3,182 1,184 1,185 2,187 2,189 3,192 1,193 1,195 3,196 5,197 1,198 1,200 2,205 1,207 3,209 1,210 1,221 4,224 2,225 1,228 1,233 1,234 3,245 1,246 5,250 1,251 2,253 1,256 2,260 4,265 2,270 2,273 679,274 15.403,275 15.403,276 15.403,277 15.403,278 15.403,279 13.29,280 20.944,281 8.934,282 15.924,283 12.26,284 12.26,285 12.26,286 12.26,287 12.26,288 9.034,289 28.914,290 4.178,291 13.036,292 3.694,293 1.459,294 0.607,295 0.388,296 0.388,297 0.388,298 3.868,300 1,301 1,302 1,303 496,304 2.646,307 192.037,311 99.502,314 1.44,315 21.037,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50.5,327 233,328 4.541,329 3.14,330 6.502,331 4.021,332 3.079,333 4.491,334 0.86,335 10.175,336 2.9,337 4.244,338 3.065,339 6.079,340 3.848,341 2.873,342 3.892,343 0.657,344 8.812,345 2.8,346 3.77,347 2.681,348 5.312,349 3.354,350 2.41,351 3.232,353 6.883,354 2.277,355 3.519,356 2.553,357 5.189,358 3.139,359 2.205,360 2.83,362 6.359,363 2.053,364 3.428,365 2.186,366 5.062,367 2.968,368 2.041,369 2.811,371 5.802,372 1.884,373 3.371,374 2.047,375 4.97,376 2.883,377 1.962,378 2.693,380 5.752,381 1.804,382 2.884,383 1.723,384 4.234,385 2.496,386 1.523,387 2.022,389 3.956,390 1.48,391 2.454,392 1.13,393 3.71,394 1.919,395 1.008,396 1.434,398 2.565,399 0.918,400 1.962,401 1.059,402 3.277,403 1.67,404 0.728,405 0.87,407 1.727,408 0.684,409 1.715,410 0.906,411 2.863,412 1.443,413 0.565,414 0.627,415 0.931,416 0.49,417 1.396,418 0.359,419 2.754,420 1.001,421 0.081,422 0.102,423 0.187,424 0.075,425 1.046,426 0.081,427 2.596,428 0.73,429 -0.201,430 -0.24,431 -0.407,432 -0.186,433 0.957,434 -0.293,435 2.47,436 0.467,437 -0.445,438 -0.574,439 -1.149,440 -0.405,441 0.685,442 -0.401,443 2.234,444 0.288,445 -0.667,446 -0.822,448 -1.787,449 -0.63,450 0.558,451 -0.692,452 2.073,453 0.113,454 -0.815,455 -1.092,457 -2.23,458 -0.752,459 10.633,460 0.462,461 0.609,462 0.026,463 34,464 1.478,465 18,466 0.783,467 16,468 0.696,469 14.823,470 0.644,471 24.767,472 0.619,473 23.558,474 1.024,475 6.854,476 0.298,477 4.209,478 0.183,479 0.169,481 0.376,485 1.097,486 1.436,487 0.796,488 1.072,489 1.253,490 0.896,491 0.992,492 1.018,493 0.711,494 0.865,495 0.627,496 0.77,497 1.061,498 1.17,499 0.99,500 1.087,501 0.903,502 1.037,503 0.757,504 1.041,505 1.108,506 1.23,507 0.74,508 1.237,509 0.858,510 1.062,511 0.996,512 1.105,513 0.896,514 1.079,515 1.306,516 0.74,517 1.132,518 0.833,519 1.141,520 0.944,521 0.781,522 1.027,523 0.962,524 1.05,525 0.793,526 1.034,527 0.776,528 0.822,529 0.735,530 0.773,531 0.754,532 0.75,533 5.5,534 0.128,535 2.667,536 1.5,537 1.671,538 0.583,539 0.304,540 0.295,541 0.23,542 0.181,543 5709,544 16557,545 2.041,546 42.5,547 3,548 8,550 1,551 5,555 1.654,556 1.89,557 3.306,558 2.761,559 1,560 1,562 1,564 65.135,565 1.628,566 3.863,567 4.715,568 4.934,569 4.934,570 4.934,571 2.707,572 4.524,573 4.499,574 3.439,575 870.003,576 7.727,577 9999.37,578 1,579 1,581 1,582 212.877,583 1.478,584 4.443,585 0.22,586 0.01,587 0.076,588 0.042,589 0.058,590 0.024,591 0.014,592 0.015,593 0.011,594 0.01,595 0.48,596 0.17,597 1,598 0.832,599 108.236,600 -0.192,601 -0.19,602 0.019,603 -0.023,604 -0.301,605 0.037,606 0.08,607 0.088,608 0.199,609 0.149,610 0.225,611 0.178,612 -0.046,613 -0.027,614 -0.099,615 -0.108,616 -0.033,617 -0.119,618 0.126,619 0.007,620 -0.184,621 -0.24,622 0.113,623 -0.273,624 -0.034,625 -0.147,626 -0.01,627 -0.105,628 -0.007,629 -0.06,630 -0.174,631 0.17,632 -0.11,633 0.116,634 -0.168,635 0.024,636 0.022,637 -0.08,638 0.007,639 -0.042,640 -0.015,641 -0.018,642 0.133,643 0.054,644 0.289,645 0.221,646 0.169,647 0.277,648 1.581,649 1.825,650 0.696,651 18.11,652 1.011,653 1.144,654 1.935,655 3.743,656 0.658,657 3.258,658 3.584,659 3.829,660 4.06,661 4.304,662 4.29,663 4.29,664 4.357,665 4.5,666 4.5,667 5.93,668 0.637,669 311.39,670 3.258,671 4.796,672 5.638,673 6.512,674 7.371,675 8.246,676 9.11,677 9.985,678 10.852,679 11.728,680 17.5,684 2,685 1,690 4,694 2,695 4,696 4,700 6,702 17,711 2,712 1,716 1,718 40,719 17,720 1,721 25,723 42,724 15,725 12,726 3,727 3,729 3,730 4,734 1,741 12,742 3,753 1,754 1,757 17,758 8,759 5,760 8,764 7,769 0.667,770 1,774 1,776 1,781 3,785 1,802 2,806 2,810 23,811 2,816 1,817 1,818 1,829 2.5,834 1,836 12.167,837 7.717,838 5.083,839 2.069,840 3.372,841 1.481,842 0.998,843 4.234,844 10.38,845 3.541,846 4.205,847 4.81,848 5.404,849 5.999,850 6.213,851 6.493,852 6.832,853 7.257,854 7.317,855 0.857,856 36,857 8.395,859 3.475,860 7.797,861 15.732,863 12.33,865 2.297,866 52.833,870 141.253,871 81.319,872 150.947,874 11,877 81.319,878 152.253,879 150.947,880 19.708,881 2.106,882 94.223,883 96.924,884 37.849,885 4.227,886 129.482,888 141.253,889 232.266,890 11,893 142.969,894 11,897 26.778,898 118.62,899 85.153,901 141.253,902 161.947,903 81.319,906 141.253,907 24.135,908 57.184,909 18.011,910 143.936,911 141.253,912 161.947,913 81.319,915 0.584,916 0.343,917 0.18,918 0.102,919 17,920 8,921 0.095,922 4,923 1,924 1.125,925 3.516,926 179.652,927 0.125,928 16,929 104.042,933 15.404,934 6.322,935 3.309,936 0.831,937 161.947,938 7.472,939 16.586,943 3.889,945 83.805,946 384.519,947 33.5,956 40.458,957 45.774,958 0.306,959 0.726,960 0.886,961 0.927,962 0.927,963 0.927,964 4.764,965 1.008,966 5.631,967 3.956,968 4.263,969 4.89,970 1.207,971 6.425,972 4.148,973 5.997,974 0.728,975 7.185,976 2.565,977 3.892,978 4.808,980 7.273,981 3.74,982 7.319,983 0.565,984 8.831,985 1.727,986 5.849,987 7.179,988 0.903,989 10.335,990 5.635,991 8.676,992 0.081,993 10.529,994 0.931,995 6.236,996 7.87,998 11.965,999 5.985,1000 10.059,1001 -0.201,1002 12.261,1003 0.187,1004 7.691,1005 9.745,1006 0.678,1007 14.557,1008 7.387,1009 11.462,1010 -0.445,1011 14.016,1012 -0.407,1013 8.441,1014 10.822,1016 16.546,1017 8.097,1018 12.88,1019 -0.667,1020 15.788,1021 -1.149,1022 9.689,1023 12.484,1024 0.512,1025 18.963,1026 9.296,1027 3.079,1028 -0.815,1029 17.574,1030 -1.787,1031 10.621,1032 13.764,1034 21.121,1035 10.183,1036 2.873,1037 10.175,1038 19.371,1039 -2.23,1040 11.781,1041 15.328,1042 0.387,1043 23.469,1044 11.296,1045 2.41,1046 8.812,1047 21.179,1048 4.491,1049 12.803,1050 16.714,1052 25.706,1053 12.268,1054 2.205,1055 6.883,1056 22.995,1057 3.892,1058 13.928,1059 18.235,1060 0.293,1061 28.028,1062 13.344,1063 2.041,1064 6.359,1065 24.817,1066 3.232,1067 14.994,1068 19.674,1070 30.303,1071 14.357,1072 1.962,1073 5.802,1074 26.646,1075 2.83,1076 16.106,1077 21.177,1078 0.221,1079 32.615,1080 15.418,1081 1.523,1082 5.752,1083 28.48,1084 2.811,1085 17.193,1086 22.643,1088 34.908,1089 16.451,1090 5585,1091 9657,1092 16.414,1093 26.301,1094 37.09,1095 37.58,1096 38.397,1097 36.895,1098 36.95,1099 50.01,1100 3.035,1101 106.296,1102 34.728,1103 5.372,1104 5.14,1105 6.052,1106 5.103,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.9,1112 12.184,1113 1.484,1114 1.503,1115 1.536,1116 1.476,1117 1.478,1118 2,1119 0.121,1120 4.252,1121 1.389,1122 4.038,1123 4.089,1124 4.018,1125 3.89,1126 5.342,1127 3.909,1128 3.924,1129 3.954,1130 3.874,1131 3.817,1132 4.99,1133 3.835,1134 3.523,1135 3.594,1136 3.453,1137 3.329,1138 4.888,1139 3.35,1140 3.317,1141 3.376,1142 3.169,1143 3.086,1144 4.845,1145 3.092,1146 3.148,1147 3.249,1148 3.015,1149 2.891,1150 4.429,1151 2.913,1152 3.1,1153 3.218,1154 2.991,1155 2.816,1156 4.233,1157 2.821,1158 3.039,1159 3.142,1160 2.768,1161 2.779,1162 4.055,1163 2.79,1164 2.805,1165 2.883,1166 2.679,1167 2.644,1168 3.929,1169 2.644,1170 0.182,1171 0.126,1172 0.26,1173 0.161,1174 0.123,1175 4.541,1176 0.18,1177 3.14,1178 0.034,1179 6.502,1180 0.407,1181 4.021,1182 0.116,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.9,1188 1.936,1189 1.902,1190 2.03,1191 2.115,1192 1.156,1193 2.079,1194 1.886,1195 1.851,1196 1.943,1197 2.009,1198 0.993,1199 2.006,1200 1.454,1201 1.391,1202 1.624,1203 1.69,1204 0.719,1205 1.675,1206 1.272,1207 1.209,1208 1.606,1209 1.557,1210 0.627,1211 1.573,1212 1.084,1213 0.988,1214 1.471,1215 1.394,1216 0.527,1217 1.399,1218 1.056,1219 0.962,1220 1.301,1221 1.369,1222 0.226,1223 1.365,1224 0.98,1225 0.873,1226 1.258,1227 1.319,1228 0.128,1229 1.339,1230 0.8,1231 0.728,1232 1.091,1233 1.014,1235 1.041,1236 3.932,1238 5.252,1240 6.772,1242 8.385,1244 10.048,1246 3.653,1250 11.372,1252 0.487,1253 3.311,1254 5.234,1262 25.499,1263 65.135,1264 154.513,1265 188.612,1266 197.367,1267 197.367,1268 197.367,1269 29.945,1270 7.008,1271 124.86,1272 124.86,1273 18,1274 12.268,1275 4.17,1276 3.248,1277 36.994,1278 83,1279 75,1280 0.221,1281 160.612,1282 262.95,1283 383.654,1284 9971,1286 16.397,1287 0.713,1288 0.559,1289 16.397,1290 12.868,1291 11.063,1292 0.443,1293 0.28,1294 6.855,1295 10.514,1296 6.64,1297 5.567,1298 11.063,1299 6.997,1300 10.059,1301 0.287,1302 0.144,1303 10.059,1304 5.035,1305 8.361,1306 0.186,1307 0.076,1308 8.361,1309 3.406,1310 6.769,1311 0.119,1312 0.038,1313 6.769,1314 2.172,1315 5.573,1316 0.076,1317 0.02,1318 5.573,1319 1.458,1320 0.349,1321 70.203,1322 0.247,1323 22.637,1324 0.601,1325 120,1326 371.273,1327 134.813,1328 362.923,1329 502.8,1330 340,1331 140,1332 380.841,1333 154.814,1334 387.775,1335 562.66,1336 362,1337 5.523}
{0 CHEMBL23569,1 1.638,2 10.24,3 1.846,4 3.407,5 97.588,6 7.565,7 0.63,8 3.922,9 4.054,10 3.489,11 3.366,12 5.116,13 3.381,14 4.403,15 4.587,16 3.829,17 3.716,18 5.559,19 3.716,20 4.52,21 4.682,22 3.917,23 3.874,24 5.63,25 3.859,26 4.688,27 4.886,28 3.908,29 3.923,30 5.841,31 3.852,32 4.811,33 5.083,34 3.675,35 3.853,36 5.768,37 3.758,38 4.621,39 4.862,40 3.498,41 3.719,42 5.606,43 3.618,44 4.517,45 4.785,46 3.421,47 3.647,48 5.412,49 3.528,50 4.479,51 4.76,52 3.486,53 3.532,54 5.438,55 3.445,56 0.09,57 0.698,58 9.301,59 3.4,60 12.418,61 4.689,62 0.368,63 1.017,64 17.334,65 5.822,66 31.913,67 7.88,68 0.241,69 1.203,70 18.153,71 6.185,72 18.488,73 8.749,74 0.468,75 1.318,76 22.504,77 8.032,78 40.505,79 11.66,80 0.539,81 1.278,82 29.258,83 7.465,84 53.958,85 11.984,86 0.54,87 1.059,88 23.7,89 6.958,90 45.157,91 10.023,92 0.262,93 0.963,94 21.222,95 6.918,96 30.973,97 10.539,98 0.385,99 0.861,100 21.605,101 6.621,102 35.934,103 10.092,104 30,105 38,106 0.283,107 0.652,108 0.783,109 0.809,110 0.809,111 0.809,112 3.267,113 0.851,114 -3.15,115 -3.14,116 -3.02,119 37.8,120 1,124 2,125 1,139 3,140 3,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 8,172 3,173 3,175 4,178 6,180 1,182 3,187 2,191 1,192 2,193 7,195 3,196 6,197 1,198 6,200 2,201 2,204 3,205 1,212 1,215 2,218 1,221 4,224 2,225 1,226 2,228 1,229 5,231 2,234 2,241 1,245 2,246 9,250 1,251 2,253 1,254 2,256 2,273 855,274 16.773,275 16.773,276 16.773,277 16.773,278 16.773,279 14.668,280 25.521,281 9.678,282 17.423,283 13.183,284 13.183,285 13.183,286 13.183,287 13.183,288 9.858,289 39.188,290 4.438,291 14.037,292 3.854,293 1.715,294 0.956,295 0.806,296 0.806,297 0.806,298 3.946,300 1,301 1,302 1,303 540,304 2.915,307 212.177,311 111.105,314 1.53,315 22.992,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 55,327 256,328 4.654,329 3.314,330 6.835,331 4.185,332 3.212,333 4.616,334 0.86,335 11.231,336 3.13,337 4.198,338 3.069,339 5.822,340 3.778,341 2.821,342 3.841,343 0.86,344 8.323,345 2.696,346 3.905,347 2.75,348 5.763,349 3.498,350 2.542,351 3.409,352 0.657,353 7.845,354 2.43,355 3.457,356 2.555,357 5.1,358 3.051,359 2.118,360 2.861,362 6.034,363 1.97,364 3.418,365 2.378,366 5.027,367 2.972,368 2.061,369 2.729,371 5.853,372 1.877,373 3.355,374 2.163,375 4.973,376 2.949,377 2.019,378 2.604,380 5.818,381 1.867,382 3.32,383 2.043,384 4.969,385 2.885,386 1.952,387 2.586,389 5.759,390 1.811,391 2.706,392 1.628,393 4.243,394 2.31,395 1.357,396 1.777,398 3.541,399 1.29,400 2.005,401 1.148,402 3.35,403 1.727,404 0.794,405 0.929,407 1.873,408 0.738,409 1.593,410 0.94,411 2.863,412 1.326,413 0.476,414 0.519,415 0.681,416 0.401,417 1.576,418 0.916,419 2.842,420 1.27,421 0.396,422 0.452,423 0.602,424 0.342,425 1.385,426 0.295,427 2.819,428 0.996,429 0.059,430 0.074,431 0.149,432 0.055,433 1.189,434 0.104,435 2.76,436 0.836,437 -0.116,438 -0.143,439 -0.303,440 -0.111,441 0.932,442 -0.286,443 2.594,444 0.488,445 -0.434,446 -0.561,448 -1.143,449 -0.398,450 0.704,451 -0.339,452 2.23,453 0.326,454 -0.619,455 -0.763,457 -1.596,458 -0.583,459 11.567,460 0.463,461 0.66,462 0.026,463 35.5,464 1.42,465 18.5,466 0.74,467 17,468 0.68,469 17.931,470 0.717,471 27.433,472 0.61,473 26.205,474 1.048,475 7.271,476 0.291,477 4.741,478 0.19,479 0.199,481 0.389,485 1.057,486 1.396,487 0.815,488 1.12,489 1.216,490 0.938,491 1.146,492 0.825,493 0.743,494 0.746,495 0.692,496 0.697,497 1.157,498 1.388,499 0.997,500 1.154,501 1.013,502 1.061,503 0.455,504 1.291,505 1.011,506 1.409,507 0.549,508 1.337,509 1.161,510 0.913,511 1.119,512 0.891,513 1.215,514 0.962,515 1.372,516 0.802,517 1.282,518 0.965,519 1.216,520 1.099,521 0.667,522 0.983,523 0.907,524 1.072,525 0.818,526 1.034,527 0.66,528 0.801,529 0.597,530 0.8,531 0.52,532 0.715,533 6,534 0.136,535 2.444,536 2.438,537 1.942,538 0.764,539 0.345,540 0.396,541 0.217,542 0.257,543 6867,544 20077,545 2.015,546 44.4,547 3,548 11,550 1,551 5,555 1.679,556 1.852,557 3.321,558 2.647,559 1,560 1,564 73.698,565 1.638,566 3.777,567 4.536,568 4.686,569 4.686,570 4.686,571 2.759,572 4.244,573 4.618,574 3.48,575 1043.98,576 7.98,577 12687.8,579 1,581 1,582 247.133,583 1.516,584 4.555,585 0.222,586 0.008,587 0.064,588 0.059,589 0.052,590 0.026,591 0.014,592 0.017,593 0.009,594 0.012,595 0.485,596 0.17,597 1,598 0.942,599 120.705,600 -0.15,601 -0.142,602 0.027,603 -0.041,604 -0.258,605 0.027,606 -0.003,607 0.268,608 0.197,609 0.281,610 0.203,611 0.266,612 -0.21,613 -0.216,614 -0.119,615 -0.103,616 -0.199,617 -0.095,618 0.338,619 -0.196,620 -0.112,621 -0.378,622 0.282,623 -0.35,624 -0.216,625 0.034,626 -0.115,627 0.03,628 -0.211,629 -0.004,630 -0.239,631 0.153,632 -0.288,633 0.002,634 -0.253,635 -0.137,636 0.013,637 -0.061,638 0.054,639 -0.048,640 -0.031,641 0.009,642 0.25,643 0.031,644 0.428,645 0.201,646 0.356,647 0.326,648 1.55,649 1.985,650 0.64,651 20.208,652 1.01,653 1.14,654 1.916,655 3.672,656 0.651,657 3.332,658 3.664,659 3.932,660 4.205,661 4.407,662 4.443,663 4.454,664 4.522,665 4.595,666 4.663,667 6.123,668 0.628,669 340.43,670 3.332,671 4.875,672 5.727,673 6.613,674 7.48,675 8.371,676 9.244,677 10.136,678 11.012,679 11.905,680 13.3,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 2,718 45,719 17,720 1,721 27,723 47,724 17,725 13,726 3,727 3,729 3,730 4,734 1,741 13,742 4,753 1,754 1,757 20,758 8,759 5,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 3,810 25,811 2,816 1,817 1,818 2,829 4.4,834 2,836 13.5,837 8.933,838 5.611,839 2.296,840 3.383,841 1.471,842 0.983,843 4.992,844 10.561,845 3.597,846 4.263,847 4.887,848 5.509,849 6.069,850 6.342,851 6.621,852 6.953,853 7.331,854 7.477,855 0.857,856 41,857 9.135,859 3.753,860 7.78,861 17.171,863 13.423,865 2.28,866 57,870 176.567,871 98.303,872 134.162,874 22,877 98.303,878 198.566,879 134.162,880 30.591,881 2.106,882 94.223,883 80.138,884 54.95,885 4.227,886 164.795,888 176.567,889 232.465,890 22,893 178.282,894 22,897 21.877,898 140.505,899 68.367,901 176.567,902 156.161,903 98.303,906 176.567,907 30.236,908 68.067,909 18.011,910 138.151,911 176.567,912 156.161,913 98.303,915 0.581,916 0.349,917 0.193,918 0.105,919 18,920 9,921 0.106,922 5,923 1,924 1.125,925 3.618,926 204.172,927 0.125,928 16,929 108.096,933 17.359,934 7.19,935 3.636,936 1.214,937 156.161,938 7.361,939 12.485,943 4.687,945 83.805,946 431.031,947 35.5,956 45.451,957 51.315,958 0.298,959 0.688,960 0.826,961 0.853,962 0.853,963 0.853,964 4.83,965 1.357,966 5.727,967 5.759,968 4.344,969 4.949,970 1.573,971 6.55,972 4.233,973 6.067,974 0.794,975 7.296,976 3.541,977 4.007,978 4.913,980 7.466,981 3.873,982 7.397,983 0.476,984 8.961,985 1.873,986 5.953,987 7.252,988 1.27,989 10.566,990 5.765,991 8.763,992 0.396,993 10.68,994 0.681,995 6.382,996 7.993,998 12.296,999 6.18,1000 10.156,1001 0.059,1002 12.434,1003 0.602,1004 7.829,1005 9.848,1006 1.022,1007 14.949,1008 7.588,1009 11.571,1010 -0.116,1011 14.216,1012 0.149,1013 8.628,1014 10.977,1016 17.062,1017 8.376,1018 13.003,1019 -0.434,1020 16.018,1021 -0.303,1022 9.881,1023 12.634,1024 0.818,1025 19.559,1026 9.599,1027 3.212,1028 -0.619,1029 17.839,1030 -1.143,1031 10.864,1032 13.964,1034 21.845,1035 10.567,1036 2.821,1037 11.231,1038 19.675,1039 -1.596,1040 12.043,1041 15.536,1042 0.65,1043 24.288,1044 11.72,1045 2.542,1046 8.323,1047 21.524,1048 4.616,1049 13.114,1050 16.965,1052 26.649,1053 12.773,1054 2.118,1055 7.845,1056 23.384,1057 3.841,1058 14.268,1059 18.504,1060 0.511,1061 29.074,1062 13.904,1063 2.061,1064 6.034,1065 25.255,1066 3.409,1067 15.381,1068 19.982,1070 31.467,1071 14.996,1072 2.019,1073 5.853,1074 27.133,1075 2.861,1076 16.53,1077 21.509,1078 0.399,1079 33.886,1080 16.122,1081 1.952,1082 5.818,1083 29.019,1084 2.729,1085 17.664,1086 23.011,1088 36.293,1089 17.234,1090 6774,1091 11702,1092 17.512,1093 29.273,1094 39.589,1095 40.713,1096 41.656,1097 39.492,1098 39.611,1099 52.793,1100 4.755,1101 115.414,1102 37.214,1103 5.489,1104 5.314,1105 6.388,1106 5.26,1107 5.212,1108 7.616,1109 1.72,1110 18.467,1111 5.13,1112 14.306,1113 1.466,1114 1.508,1115 1.543,1116 1.463,1117 1.467,1118 1.955,1119 0.176,1120 4.275,1121 1.378,1122 4.073,1123 4.113,1124 4.049,1125 3.96,1126 5.321,1127 3.976,1128 3.915,1129 3.937,1130 3.87,1131 3.817,1132 4.982,1133 3.826,1134 3.551,1135 3.618,1136 3.482,1137 3.361,1138 4.932,1139 3.385,1140 3.303,1141 3.355,1142 3.144,1143 3.017,1144 4.804,1145 3.028,1146 3.266,1147 3.348,1148 3.126,1149 3.006,1150 4.58,1151 3.026,1152 3.165,1153 3.26,1154 3.049,1155 2.923,1156 4.339,1157 2.935,1158 3.071,1159 3.173,1160 2.869,1161 2.806,1162 4.16,1163 2.81,1164 3.023,1165 3.152,1166 2.798,1167 2.703,1168 4.022,1169 2.72,1170 0.172,1171 0.123,1172 0.253,1173 0.155,1174 0.119,1175 4.654,1176 0.171,1177 3.314,1178 0.032,1179 6.835,1180 0.416,1181 4.185,1182 0.116,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.13,1188 1.998,1189 1.967,1190 2.062,1191 2.133,1192 1.228,1193 2.112,1194 1.87,1195 1.852,1196 1.958,1197 1.996,1198 1.063,1199 1.985,1200 1.48,1201 1.42,1202 1.635,1203 1.713,1204 0.736,1205 1.698,1206 1.227,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.217,1213 1.134,1214 1.559,1215 1.512,1216 0.561,1217 1.528,1218 1.135,1219 1.046,1220 1.505,1221 1.412,1222 0.554,1223 1.441,1224 1.015,1225 0.92,1226 1.275,1227 1.346,1228 0.207,1229 1.342,1230 0.946,1231 0.826,1232 1.255,1233 1.315,1234 0.09,1235 1.317,1236 4.007,1238 5.333,1240 6.862,1242 8.491,1244 10.174,1246 5.192,1250 11.609,1252 0.551,1253 3.34,1254 10.561,1262 28.246,1263 73.698,1264 169.96,1265 204.114,1266 210.869,1267 210.869,1268 210.869,1269 35.803,1270 7.178,1271 121.2,1272 121.2,1273 18,1274 12.435,1275 4.17,1276 3.248,1277 41.862,1278 93,1279 80,1280 0.224,1281 176.999,1282 295.34,1283 423.638,1284 12143,1286 17.974,1287 0.719,1288 0.573,1289 17.974,1290 14.329,1291 12.012,1292 0.445,1293 0.284,1294 7.487,1295 11.364,1296 7.211,1297 6.061,1298 12.012,1299 7.656,1300 10.787,1301 0.284,1302 0.145,1303 10.787,1304 5.529,1305 9.04,1306 0.181,1307 0.079,1308 9.04,1309 3.969,1310 7.752,1311 0.117,1312 0.04,1313 7.752,1314 2.618,1315 5.991,1316 0.074,1317 0.021,1318 5.991,1319 1.684,1320 0.351,1321 76.602,1322 0.239,1323 24.198,1324 0.613,1325 130,1326 407.364,1327 145.637,1328 392.033,1329 540.43,1330 368,1331 153,1332 403.57,1333 167.808,1334 412.359,1335 597.29,1336 383,1337 7.441}
{0 CHEMBL23584,1 1.54,2 10.16,3 3.52,4 12.39,5 103.825,6 8.273,7 0.786,8 3.851,9 3.972,10 3.56,11 3.502,12 5.019,13 3.455,14 4.315,15 4.467,16 3.937,17 3.902,18 5.456,19 3.824,20 4.507,21 4.668,22 4.067,23 4.055,24 5.565,25 3.958,26 4.609,27 4.792,28 4.04,29 4.056,30 5.711,31 3.91,32 4.653,33 4.9,34 3.707,35 3.928,36 5.604,37 3.754,38 4.445,39 4.695,40 3.584,41 3.73,42 5.355,43 3.579,44 4.305,45 4.541,46 3.468,47 3.663,48 5.229,49 3.532,50 4.261,51 4.489,52 3.482,53 3.598,54 5.266,55 3.498,56 0.042,57 0.655,58 7.766,59 3.506,60 10.021,61 4.278,62 0.175,63 1.045,64 15.743,65 6.705,66 19.5,67 8.153,68 0.086,69 1.241,70 18.644,71 7.865,72 11.946,73 9.49,74 0.216,75 1.389,76 24.165,77 9.537,78 29.903,79 11.414,80 0.284,81 1.387,82 30.193,83 9.823,84 39.545,85 11.515,86 0.19,87 1.083,88 22.036,89 7.632,90 26.068,91 10.171,92 0.105,93 0.923,94 18.152,95 7.06,96 18.25,97 9.19,98 0.097,99 0.9,100 15.103,101 5.885,102 17.986,103 8.07,104 10,105 40,106 0.265,107 0.614,108 0.748,109 0.829,110 0.868,111 0.884,112 3.267,113 0.953,114 -5.48,115 -5.36,116 -5,119 45.2,120 1,125 1,139 7,140 5,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 12,169 2,170 4,172 3,173 3,175 1,178 17,180 1,182 3,187 1,189 13,191 1,192 1,193 6,195 3,196 3,197 1,198 3,200 2,201 12,204 3,205 1,212 1,215 8,218 1,221 4,226 3,229 10,231 3,234 3,241 10,246 7,251 3,254 7,256 3,260 7,265 3,268 2,270 3,273 821,274 16.999,275 16.999,276 16.999,277 16.999,278 16.999,279 14.303,280 12.461,281 9.907,282 17.407,283 13.81,284 13.81,285 13.81,286 13.81,287 13.81,288 9.815,289 14.331,290 4.667,291 14.487,292 3.853,293 1.828,294 1.046,295 0.578,296 0.351,297 0.256,298 3.967,300 1,301 1,302 1,303 561,304 2.55,307 235.998,311 201.172,314 1.446,315 16.246,317 1,318 0.75,319 1,320 1,321 0.6,323 1,324 1,325 0.76,326 52.5,327 254,328 4.655,329 4.46,330 6.835,331 4.184,332 3.213,333 4.616,334 3.272,335 11.231,336 3.126,337 4.493,338 3.339,339 6.506,340 4.005,341 3.03,342 4.43,344 10.196,345 2.959,346 3.907,347 3.046,348 5.801,349 3.495,350 2.544,351 3.411,353 7.86,354 2.416,355 3.515,356 2.649,357 5.203,358 3.06,359 2.134,360 2.909,362 6.253,363 1.963,364 3.451,365 2.388,366 5.094,367 2.964,368 2.028,369 2.86,371 5.894,372 1.894,373 3.373,374 2.096,375 5.006,376 2.894,377 1.965,378 2.701,380 5.785,381 1.816,382 3.118,383 1.991,384 4.263,385 2.618,386 1.618,387 2.427,389 3.818,390 1.618,391 2.771,392 1.618,393 4.153,394 2.318,395 1.371,396 1.904,398 3.541,399 1.292,400 2.708,401 1.496,402 3.602,403 2.269,404 1.274,405 1.779,407 2.851,408 1.266,409 2.421,410 1.312,411 3.443,412 1.962,413 1.04,414 1.392,415 2.387,416 0.94,417 1.962,418 1.175,419 3.195,420 1.58,421 0.657,422 0.838,423 1.546,424 0.596,425 1.415,426 0.475,427 2.829,428 0.981,429 0.074,430 0.095,431 0.182,432 0.066,433 1.194,434 0.335,435 2.792,436 0.837,437 -0.114,438 -0.141,439 -0.298,440 -0.109,441 1.027,442 0.107,443 2.584,444 0.553,445 -0.38,446 -0.51,448 -0.98,449 -0.348,450 0.882,451 -0.294,452 2.344,453 0.408,454 -0.514,455 -0.645,457 -1.235,458 -0.469,459 12.333,460 0.493,461 0.627,462 0.025,463 37.5,464 1.5,465 21.5,466 0.86,467 16,468 0.64,469 18.024,470 0.721,471 24.867,472 0.592,473 25.073,474 1.003,475 7.122,476 0.285,477 5.009,478 0.2,479 0.105,481 0.365,485 1.075,486 0.987,487 0.743,488 0.752,489 1.268,490 0.753,491 0.456,492 0.786,493 0.924,494 0.931,495 0.441,496 0.833,497 0.972,498 1.096,499 0.993,500 1.009,501 0.834,502 0.967,503 0.658,504 1.149,505 1.293,506 1.353,507 0.606,508 1.248,509 1.537,510 0.925,511 1.535,512 1.177,513 1.419,514 1.102,515 0.85,516 0.937,517 0.941,518 1.013,519 0.961,520 1,521 0.72,522 0.907,523 0.91,524 0.955,525 0.781,526 0.938,527 0.795,528 1.066,529 0.694,530 0.907,531 0.812,532 0.971,533 4.5,534 0.103,535 3.111,536 2.188,537 1.644,538 0.618,539 0.365,540 0.321,541 0.25,542 0.192,543 7388,544 19498,545 2.13,546 40.5,547 3,548 9,550 1,551 4,555 1.679,556 2,557 3.292,558 1.736,560 1,564 64.67,565 1.54,566 3.564,567 4.347,568 4.815,569 5.041,570 5.136,571 2.713,572 4.404,573 4.621,574 3.439,575 1031.7,576 7.979,577 12352.2,578 1,579 1,581 1,582 226.477,583 1.388,584 4.579,585 0.161,586 0.006,587 0.078,588 0.051,589 0.044,590 0.023,591 0.015,592 0.013,593 0.01,594 0.009,595 0.41,596 0.17,597 0.88,598 0.553,599 120.079,600 -0.166,601 0.086,602 0.04,603 0.131,604 -0.287,605 0.097,606 0.399,607 0.255,608 0.059,609 0.082,610 0.292,611 0.092,612 -0.101,613 -0.068,614 -0.001,615 0.003,616 -0.085,617 -0.038,618 0.268,619 -0.124,620 -0.116,621 -0.239,622 0.267,623 -0.279,624 -0.373,625 0.101,626 -0.287,627 -0.06,628 -0.321,629 -0.101,630 0.022,631 -0.017,632 0.075,633 -0.001,634 -0.057,635 0.032,636 0.02,637 -0.006,638 0.038,639 0.038,640 0.009,641 0.094,642 0.051,643 -0.15,644 0.085,645 -0.038,646 0.045,647 0.007,648 1.519,649 2.031,650 0.8,651 18.794,652 0.997,653 1.117,654 4.248,655 18.046,656 0.72,657 3.367,658 3.714,659 4.025,660 4.317,661 4.533,662 4.564,663 4.625,664 4.736,665 4.844,666 4.852,667 5.963,668 0.677,669 347.48,670 3.367,671 4.92,672 5.79,673 6.683,674 7.565,675 8.461,676 9.346,677 10.244,678 11.13,679 12.028,680 11.9,684 2,690 3,694 4,695 8,696 3,700 5,702 22,711 2,718 42,719 22,720 2,721 28,723 45,724 19,725 17,726 3,727 7,729 4,730 6,734 1,741 17,742 2,753 1,754 1,757 17,758 5,759 4,760 6,761 1,764 5,769 0.5,775 1,776 1,781 4,785 2,802 2,803 1,804 1,806 1,810 25,811 2,816 1,819 1,836 12.5,837 7.85,838 5.417,839 2.331,840 4.564,841 1.602,842 1.052,843 4.099,844 12.146,845 3.689,846 4.394,847 5.077,848 5.729,849 6.321,850 6.609,851 6.964,852 7.347,853 7.745,854 7.79,855 0.857,856 43,857 9.169,859 3.906,860 7.633,861 17.622,863 14.613,865 2.133,866 53.333,869 1,870 153.024,871 138.909,872 116.151,876 32.22,877 106.689,878 153.024,879 116.151,880 8.825,881 0.9,882 132.128,883 62.128,884 26.404,885 4.227,886 173.473,888 153.024,889 222.84,891 32.22,893 154.74,897 20.671,898 150.097,899 50.357,900 32.22,901 153.024,902 116.151,903 138.909,906 153.024,907 54.702,908 84.206,910 116.151,911 153.024,912 116.151,913 138.909,915 0.587,916 0.356,917 0.203,918 0.106,919 21,920 9,921 0.067,922 3,923 2,924 1.2,925 3.701,926 214.113,927 0.2,928 20,929 114.096,930 1,933 15.976,934 6.414,935 2.96,936 3.831,937 116.151,938 16.62,939 12.641,943 3.944,945 65.794,946 408.084,947 39,956 41.887,957 46.903,958 0.286,959 0.661,960 0.806,961 0.893,962 0.935,963 0.953,964 4.916,965 1.371,966 5.784,967 3.818,968 4.394,969 5.081,970 3.11,971 6.627,972 4.306,973 6.162,974 1.274,975 7.362,976 3.541,977 4.007,978 5.007,980 7.591,981 3.898,982 7.496,983 1.04,984 9.043,985 2.851,986 6.014,987 7.437,988 5.44,989 10.726,990 5.86,991 8.87,992 0.657,993 10.785,994 2.387,995 6.447,996 8.2,998 12.531,999 6.282,1000 10.276,1001 0.074,1002 12.566,1003 1.546,1004 7.931,1005 10.099,1006 7.807,1007 15.187,1008 7.731,1009 11.707,1010 -0.114,1011 14.375,1012 0.182,1013 8.753,1014 11.264,1016 17.337,1017 8.542,1018 13.157,1019 -0.38,1020 16.205,1021 -0.298,1022 10.027,1023 12.941,1024 10.177,1025 19.829,1026 9.787,1027 3.213,1028 -0.514,1029 18.05,1030 -0.98,1031 11.03,1032 14.298,1034 22.122,1035 10.774,1036 3.03,1037 11.231,1038 19.907,1039 -1.235,1040 12.222,1041 15.88,1042 12.548,1043 24.553,1044 11.94,1045 2.544,1046 10.196,1047 21.773,1048 4.616,1049 13.305,1050 17.325,1052 26.906,1053 13.003,1054 2.134,1055 7.86,1056 23.647,1057 4.43,1058 14.467,1059 18.867,1060 14.919,1061 29.316,1062 14.14,1063 2.028,1064 6.253,1065 25.527,1066 3.411,1067 15.587,1068 20.351,1070 31.696,1071 15.236,1072 1.965,1073 5.894,1074 27.412,1075 2.909,1076 16.739,1077 21.877,1078 17.29,1079 34.1,1080 16.363,1081 1.618,1082 5.785,1083 29.302,1084 2.86,1085 17.874,1086 23.378,1088 36.493,1089 17.474,1090 6933,1091 11398,1092 18.898,1093 30.245,1094 42.151,1095 45.277,1096 43.343,1097 41.861,1098 41.897,1099 58.725,1100 6.545,1101 123.089,1102 39.908,1103 5.488,1104 6.46,1105 6.524,1106 5.3,1107 5.213,1108 7.616,1109 6.545,1110 18.469,1111 5.126,1112 10.807,1113 1.505,1114 1.617,1115 1.548,1116 1.495,1117 1.496,1118 2.097,1119 0.234,1120 4.396,1121 1.425,1122 4.097,1123 4.124,1124 4.147,1125 4.066,1126 5.321,1127 4.05,1128 4.036,1129 4.065,1130 4.014,1131 3.94,1132 4.981,1133 3.954,1134 3.548,1135 3.605,1136 3.678,1137 3.461,1138 4.892,1139 3.427,1140 3.452,1141 3.498,1142 3.387,1143 3.34,1144 4.801,1145 3.344,1146 3.186,1147 3.276,1148 3.241,1149 3.089,1150 4.332,1151 3.037,1152 3.111,1153 3.169,1154 3.05,1155 2.936,1156 4.188,1157 2.941,1158 3.023,1159 3.151,1160 2.838,1161 2.78,1162 4.024,1163 2.771,1164 2.938,1165 3.009,1166 2.794,1167 2.702,1168 3.86,1169 2.716,1170 0.166,1171 0.159,1172 0.244,1173 0.149,1174 0.115,1175 4.655,1176 0.165,1177 4.46,1178 0.117,1179 6.835,1180 0.401,1181 4.184,1182 0.112,1183 3.213,1184 4.616,1185 3.272,1186 11.231,1187 3.126,1188 2.069,1189 2.054,1190 2.138,1191 2.128,1192 1.3,1193 2.13,1194 1.988,1195 1.958,1196 2.045,1197 2.103,1198 1.211,1199 2.096,1200 1.507,1201 1.469,1202 1.655,1203 1.685,1204 0.774,1205 1.682,1206 1.445,1207 1.393,1208 1.605,1209 1.58,1210 0.668,1211 1.608,1212 1.18,1213 1.113,1214 1.488,1215 1.417,1216 0.559,1217 1.446,1218 1.072,1219 1.015,1220 1.264,1221 1.34,1222 0.344,1223 1.341,1224 0.946,1225 0.843,1226 1.246,1227 1.248,1228 0.158,1229 1.277,1230 0.916,1231 0.824,1232 1.179,1233 1.126,1234 0.061,1235 1.156,1236 4.043,1238 5.38,1240 6.93,1242 8.584,1244 10.289,1246 2.027,1250 11.685,1252 0.798,1255 1.788,1262 28.455,1263 64.67,1264 149.706,1265 182.561,1266 202.213,1267 211.722,1268 215.722,1269 30.507,1270 7.582,1271 90.71,1272 116.01,1273 24,1274 12.554,1275 4.524,1276 3.585,1277 36.007,1278 91,1279 80,1280 0.196,1281 179.28,1282 291.33,1283 429.203,1284 21356,1286 17.389,1287 0.696,1288 0.582,1289 17.742,1290 14.547,1291 12.131,1292 0.433,1293 0.318,1294 7.931,1295 11.399,1296 7.599,1297 6.321,1298 12.585,1299 8.896,1300 11.065,1301 0.277,1302 0.171,1303 11.615,1304 6.857,1305 9.571,1306 0.174,1307 0.098,1308 10.279,1309 5.39,1310 8.555,1311 0.116,1312 0.055,1313 9.379,1314 4.074,1315 6.651,1316 0.072,1317 0.03,1318 7.418,1319 2.794,1320 0.306,1321 79.175,1322 0.23,1323 24.125,1324 0.54,1325 136,1326 346.42,1327 166.442,1328 372.344,1329 524.71,1330 350,1331 163,1332 387.846,1333 190.704,1334 412.18,1335 605.98,1336 388,1337 6.26}
{0 CHEMBL23657,1 1.628,2 9.522,3 1.568,4 2.46,5 88.224,6 7.785,7 0.68,8 3.814,9 3.955,10 3.407,11 3.265,12 5.027,13 3.284,14 4.28,15 4.468,16 3.754,17 3.604,18 5.468,19 3.609,20 4.422,21 4.608,22 3.843,23 3.715,24 5.616,25 3.709,26 4.515,27 4.728,28 3.717,29 3.716,30 5.66,31 3.666,32 4.563,33 4.806,34 3.49,35 3.683,36 5.56,37 3.585,38 4.491,39 4.775,40 3.367,41 3.564,42 5.444,43 3.437,44 4.338,45 4.634,46 3.303,47 3.391,48 5.268,49 3.302,50 4.036,51 4.264,52 3.252,53 3.259,54 5.123,55 3.217,56 0.09,57 0.657,58 7.874,59 2.746,60 12.004,61 3.879,62 0.295,63 0.953,64 14.464,65 4.746,66 26.876,67 6.678,68 0.346,69 1.094,70 16.237,71 5.07,72 27.951,73 7.377,74 0.386,75 1.09,76 18.918,77 5.933,78 37.683,79 8.594,80 0.42,81 1.033,82 21.54,83 6.288,84 41.269,85 9.38,86 0.385,87 0.917,88 21.135,89 6.386,90 39.516,91 9.987,92 0.343,93 0.773,94 18.927,95 5.052,96 33.365,97 8.225,98 0.205,99 0.673,100 11.941,101 3.437,102 21.187,103 5.248,104 18,105 35,106 0.288,107 0.683,108 0.833,109 0.872,110 0.872,111 0.872,112 3.188,113 0.84,114 -3.16,115 -3.16,116 -3.03,119 37.5,120 1,124 1,125 1,139 3,140 1,141 2,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 4,169 2,170 1,172 3,173 3,175 1,178 3,181 3,182 2,184 1,185 3,187 3,189 2,192 1,193 2,195 3,196 4,197 1,198 1,200 2,201 1,205 1,207 1,209 1,210 1,220 1,221 4,224 2,225 1,228 1,233 1,234 4,246 3,250 1,251 1,253 1,256 1,259 2,260 6,262 1,263 1,265 3,270 3,273 665,274 15.455,275 15.455,276 15.455,277 15.455,278 15.455,279 13.314,280 19.175,281 8.973,282 15.967,283 12.254,284 12.254,285 12.254,286 12.254,287 12.254,288 9.015,289 25.049,290 4.15,291 13.018,292 3.694,293 1.459,294 0.607,295 0.388,296 0.388,297 0.388,298 3.868,300 1,301 1,302 1,303 465,304 2.646,307 189.629,311 97.463,314 1.497,315 21.318,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50.5,327 219,328 4.541,329 3.229,330 6.502,331 4.024,332 3.081,333 4.491,334 0.86,335 10.176,336 2.909,337 4.346,338 3.122,339 6.447,340 3.953,341 2.988,342 4.003,343 0.657,344 9.911,345 2.878,346 3.767,347 2.638,348 5.311,349 3.349,350 2.404,351 3.231,353 6.88,354 2.273,355 3.429,356 2.371,357 5.062,358 2.97,359 2.045,360 2.811,362 5.803,363 1.885,364 3.375,365 2.187,366 5.013,367 2.928,368 1.978,369 2.699,371 5.757,372 1.873,373 3.295,374 2.048,375 4.97,376 2.885,377 1.962,378 2.545,380 5.56,381 1.805,382 2.916,383 1.654,384 4.079,385 2.482,386 1.507,387 2.087,389 3.625,390 1.467,391 2.454,392 1.285,393 3.71,394 1.927,395 1.012,396 1.435,398 2.565,399 0.924,400 2.106,401 1.059,402 3.328,403 1.851,404 0.933,405 1.061,407 2.038,408 0.852,409 1.65,410 0.895,411 2.931,412 1.364,413 0.481,414 0.54,415 0.874,416 0.421,417 1.379,418 0.375,419 2.703,420 0.997,421 0.078,422 0.097,423 0.168,424 0.071,425 1.054,426 0.001,427 2.548,428 0.718,429 -0.233,430 -0.284,431 -0.55,432 -0.22,433 0.956,434 -0.25,435 2.425,436 0.466,437 -0.448,438 -0.577,439 -1.133,440 -0.408,441 0.739,442 -0.3,443 2.311,444 0.364,445 -0.578,446 -0.717,448 -1.206,449 -0.54,450 0.571,451 -0.592,452 2.084,453 0.115,454 -0.815,455 -1.037,457 -2.067,458 -0.747,459 10.633,460 0.462,461 0.592,462 0.026,463 34,464 1.478,465 18,466 0.783,467 16,468 0.696,469 14.991,470 0.652,471 24.767,472 0.619,473 23.695,474 1.03,475 6.869,476 0.299,477 4.211,478 0.183,479 0.169,481 0.376,485 1.097,486 1.436,487 0.796,488 1.072,489 1.249,490 0.896,491 0.992,492 1.018,493 0.711,494 0.865,495 0.653,496 0.77,497 0.937,498 1.17,499 0.92,500 1.084,501 0.834,502 1.012,503 1.021,504 1.059,505 1.118,506 1.203,507 0.782,508 1.189,509 1.31,510 1.031,511 1.255,512 1.118,513 1.16,514 1.183,515 0.598,516 0.842,517 0.931,518 1.02,519 0.765,520 1.034,521 0.811,522 0.794,523 0.724,524 0.699,525 0.719,526 0.691,527 1.063,528 1.033,529 1.005,530 0.988,531 1.128,532 0.972,533 5,534 0.128,535 2.889,536 1.75,537 1.591,538 0.639,539 0.264,540 0.28,541 0.324,542 0.141,543 5573,544 16093,545 2.041,546 42.5,547 3,548 8,550 1,551 5,555 1.655,556 1.89,557 3.214,558 2.761,559 1,560 1,562 1,564 65.135,565 1.628,566 3.863,567 4.715,568 4.934,569 4.934,570 4.934,571 2.687,572 4.437,573 4.5,574 3.382,575 855.551,576 7.736,577 9777.98,578 1,579 1,581 1,582 212.877,583 1.478,584 4.443,585 0.2,586 0.011,587 0.083,588 0.047,589 0.051,590 0.027,591 0.013,592 0.013,593 0.016,594 0.007,595 0.468,596 0.17,597 1,598 0.832,599 107.718,600 -0.192,601 -0.19,602 0.019,603 -0.023,604 -0.298,605 0.037,606 0.08,607 0.088,608 0.199,609 0.149,610 0.199,611 0.178,612 0.082,613 -0.027,614 -0.027,615 -0.105,616 0.036,617 -0.094,618 -0.003,619 -0.004,620 -0.188,621 -0.223,622 0.106,623 -0.244,624 -0.253,625 -0.087,626 -0.275,627 -0.127,628 -0.221,629 -0.201,630 0.172,631 0.036,632 0.075,633 -0.021,634 0.079,635 0.004,636 0.079,637 0.038,638 0.326,639 0.28,640 0.116,641 0.345,642 -0.141,643 0.007,644 -0.065,645 -0.013,646 -0.173,647 -0.014,648 1.583,649 1.865,650 0.696,651 17.474,652 1.011,653 1.144,654 1.935,655 3.743,656 0.658,657 3.258,658 3.584,659 3.85,660 4.094,661 4.29,662 4.277,663 4.304,664 4.369,665 4.533,666 4.522,667 5.766,668 0.637,669 311.39,670 3.258,671 4.796,672 5.645,673 6.524,674 7.387,675 8.267,676 9.135,677 10.015,678 10.885,679 11.764,680 17.5,684 2,685 1,690 4,694 2,695 4,696 4,700 6,702 17,711 2,712 1,716 1,718 40,719 17,720 1,721 25,723 42,724 15,725 12,726 3,727 3,729 3,730 4,734 1,741 12,742 3,753 1,754 1,757 17,758 8,759 5,760 8,764 7,769 0.667,770 1,774 1,776 1,781 3,785 1,802 2,806 2,810 23,811 2,816 1,817 1,818 1,829 2.5,834 1,836 12.167,837 7.717,838 5.111,839 2.076,840 3.42,841 1.488,842 0.998,843 4.234,844 10.428,845 3.541,846 4.205,847 4.822,848 5.417,849 5.984,850 6.203,851 6.5,852 6.842,853 7.271,854 7.328,855 1,856 37,857 8.398,859 3.479,860 7.797,861 15.732,863 12.335,865 2.297,866 52.833,870 141.253,871 81.319,872 150.947,874 11,877 81.319,878 152.253,879 150.947,880 19.708,881 2.106,882 94.223,883 96.924,884 37.849,885 4.227,886 129.482,888 141.253,889 232.266,890 11,893 142.969,894 11,897 26.778,898 118.62,899 85.153,901 141.253,902 161.947,903 81.319,906 141.253,907 24.135,908 57.184,909 18.011,910 143.936,911 141.253,912 161.947,913 81.319,915 0.582,916 0.349,917 0.191,918 0.1,919 17,920 8,921 0.095,922 4,923 1,924 1.125,925 3.485,926 181.279,927 0.125,928 16,929 102.042,933 15.404,934 6.322,935 3.158,936 0.822,937 161.947,938 7.477,939 16.594,943 3.777,945 83.805,946 384.519,947 33.5,956 40.458,957 45.774,958 0.306,959 0.726,960 0.886,961 0.927,962 0.927,963 0.927,964 4.764,965 1.012,966 5.638,967 3.625,968 4.263,969 4.89,970 1.207,971 6.45,972 4.148,973 5.997,974 0.933,975 7.203,976 2.565,977 3.892,978 4.808,980 7.357,981 3.74,982 7.322,983 0.481,984 8.865,985 2.038,986 5.861,987 7.186,988 0.903,989 10.441,990 5.645,991 8.683,992 0.078,993 10.583,994 0.874,995 6.275,996 7.895,998 12.154,999 6.02,1000 10.073,1001 -0.233,1002 12.337,1003 0.168,1004 7.734,1005 9.769,1006 0.678,1007 14.761,1008 7.426,1009 11.485,1010 -0.448,1011 14.116,1012 -0.55,1013 8.52,1014 10.866,1016 16.817,1017 8.169,1018 12.913,1019 -0.578,1020 15.914,1021 -1.133,1022 9.772,1023 12.525,1024 0.512,1025 19.248,1026 9.374,1027 3.081,1028 -0.815,1029 17.727,1030 -1.206,1031 10.735,1032 13.818,1034 21.45,1035 10.29,1036 2.988,1037 10.176,1038 19.55,1039 -2.067,1040 11.903,1041 15.379,1042 0.387,1043 23.81,1044 11.411,1045 2.404,1046 9.911,1047 21.383,1048 4.491,1049 12.947,1050 16.771,1052 26.073,1053 12.407,1054 2.045,1055 6.88,1056 23.222,1057 4.003,1058 14.08,1059 18.289,1060 0.293,1061 28.405,1062 13.492,1063 1.978,1064 5.803,1065 25.067,1066 3.231,1067 15.162,1068 19.73,1070 30.694,1071 14.524,1072 1.962,1073 5.757,1074 26.917,1075 2.811,1076 16.282,1077 21.23,1078 0.221,1079 33.013,1080 15.596,1081 1.507,1082 5.56,1083 28.771,1084 2.699,1085 17.381,1086 22.696,1088 35.314,1089 16.644,1090 5458,1091 9422,1092 16.414,1093 26.301,1094 37.04,1095 37.604,1096 38.707,1097 36.865,1098 36.937,1099 50.001,1100 3.035,1101 106.715,1102 34.717,1103 5.379,1104 5.229,1105 6.099,1106 5.105,1107 5.081,1108 7.491,1109 1.72,1110 17.07,1111 4.909,1112 12.074,1113 1.482,1114 1.504,1115 1.548,1116 1.475,1117 1.477,1118 2,1119 0.121,1120 4.269,1121 1.389,1122 4.038,1123 4.089,1124 4.019,1125 3.89,1126 5.342,1127 3.909,1128 3.925,1129 3.955,1130 3.877,1131 3.817,1132 4.99,1133 3.835,1134 3.52,1135 3.592,1136 3.449,1137 3.328,1138 4.889,1139 3.349,1140 3.292,1141 3.354,1142 3.117,1143 3.061,1144 4.841,1145 3.059,1146 3.164,1147 3.257,1148 3.044,1149 2.944,1150 4.404,1151 2.952,1152 3.101,1153 3.219,1154 2.992,1155 2.833,1156 4.251,1157 2.839,1158 3.092,1159 3.193,1160 2.866,1161 2.778,1162 4.059,1163 2.82,1164 2.75,1165 2.834,1166 2.612,1167 2.575,1168 3.958,1169 2.573,1170 0.182,1171 0.129,1172 0.26,1173 0.161,1174 0.123,1175 4.541,1176 0.18,1177 3.229,1178 0.034,1179 6.502,1180 0.407,1181 4.024,1182 0.116,1183 3.081,1184 4.491,1185 0.86,1186 10.176,1187 2.909,1188 1.936,1189 1.902,1190 2.03,1191 2.115,1192 1.157,1193 2.079,1194 1.887,1195 1.851,1196 1.944,1197 2.01,1198 0.993,1199 2.006,1200 1.453,1201 1.39,1202 1.622,1203 1.685,1204 0.719,1205 1.673,1206 1.253,1207 1.186,1208 1.599,1209 1.544,1210 0.619,1211 1.562,1212 1.141,1213 1.059,1214 1.509,1215 1.392,1216 0.548,1217 1.427,1218 1.052,1219 0.953,1220 1.3,1221 1.376,1222 0.205,1223 1.376,1224 0.98,1225 0.873,1226 1.257,1227 1.363,1228 0.067,1229 1.344,1230 0.725,1231 0.657,1232 0.983,1233 0.97,1235 0.978,1236 3.932,1238 5.252,1240 6.779,1242 8.404,1244 10.077,1246 3.643,1250 11.379,1252 0.466,1253 3.31,1254 5.365,1262 25.499,1263 65.135,1264 154.513,1265 188.612,1266 197.367,1267 197.367,1268 197.367,1269 30.525,1270 7.008,1271 124.86,1272 124.86,1273 18,1274 12.302,1275 4.17,1276 3.248,1277 36.936,1278 81,1279 70,1280 0.228,1281 160.612,1282 262.95,1283 383.654,1284 9971,1286 16.397,1287 0.713,1288 0.559,1289 16.397,1290 12.868,1291 11.08,1292 0.443,1293 0.28,1294 6.861,1295 10.538,1296 6.649,1297 5.575,1298 11.08,1299 7.003,1300 9.975,1301 0.285,1302 0.143,1303 9.975,1304 5.006,1305 8.37,1306 0.182,1307 0.074,1308 8.37,1309 3.402,1310 7.083,1311 0.12,1312 0.039,1313 7.083,1314 2.284,1315 5.506,1316 0.076,1317 0.02,1318 5.506,1319 1.454,1320 0.356,1321 70.304,1322 0.247,1323 22.517,1324 0.625,1325 120,1326 371.273,1327 134.813,1328 362.762,1329 503.4,1330 340,1331 141,1332 381.841,1333 156.368,1334 388.562,1335 565.99,1336 363,1337 5.244}
{0 CHEMBL23658,1 1.683,2 9.333,3 1.357,4 1.841,5 82.446,6 7.926,7 0.696,8 3.725,9 3.851,10 3.332,11 3.17,12 4.948,13 3.201,14 4.185,15 4.344,16 3.675,17 3.524,18 5.397,19 3.535,20 4.307,21 4.483,22 3.667,23 3.594,24 5.42,25 3.584,26 4.397,27 4.594,28 3.614,29 3.573,30 5.579,31 3.52,32 4.411,33 4.664,34 3.285,35 3.47,36 5.419,37 3.375,38 4.206,39 4.463,40 3.17,41 3.342,42 5.133,43 3.248,44 4.054,45 4.286,46 3.211,47 3.221,48 5.097,49 3.167,50 3.994,51 4.228,52 3.141,53 3.072,54 5.105,55 3.047,56 0.107,57 0.567,58 6.981,59 2.646,60 11.922,61 3.397,62 0.334,63 0.827,64 12.731,65 4.66,66 26.244,67 5.932,68 0.245,69 0.927,70 14.272,71 4.78,72 19.144,73 6.589,74 0.478,75 0.925,76 16.754,77 5.63,78 38.354,79 7.966,80 0.506,81 0.857,82 19.307,83 5.383,84 44.762,85 7.718,86 0.286,87 0.708,88 15.521,89 4.866,90 25.732,91 7.154,92 0.225,93 0.622,94 12.85,95 4.304,96 22.025,97 6.115,98 0.347,99 0.569,100 12.434,101 3.225,102 26.465,103 4.79,104 11,105 32,106 0.305,107 0.7,108 0.822,109 0.882,110 0.882,111 0.882,112 3.103,113 0.827,114 -3.22,115 -3.21,116 -3.08,119 38.9,124 1,125 1,139 4,140 2,141 2,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 3,169 2,170 6,172 3,173 3,175 4,178 3,180 1,182 3,187 3,189 1,191 1,192 1,193 1,195 3,196 5,197 1,198 2,200 2,201 2,204 1,205 1,210 2,211 1,212 1,214 1,215 3,218 1,221 3,229 2,234 6,238 1,239 2,240 1,241 1,243 2,245 1,246 3,251 1,256 1,259 2,260 2,262 1,263 1,265 3,270 3,273 535,274 14.248,275 14.248,276 14.248,277 14.248,278 14.248,279 12.298,280 20.35,281 8.348,282 14.663,283 11.299,284 11.299,285 11.299,286 11.299,287 11.299,288 8.303,289 31.622,290 3.891,291 11.88,292 3.487,293 1.301,294 0.632,295 0.299,296 0.299,297 0.299,298 3.783,300 1,301 1,302 1,303 420,304 2.55,306 43.104,307 119.195,310 80.938,314 1.302,315 19.412,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 46.5,327 196,328 4.638,329 3.27,330 6.78,331 4.165,332 3.188,333 4.608,334 0.86,335 11.107,336 3.117,337 4.067,338 2.921,339 5.591,340 3.65,341 2.689,342 3.669,343 0.657,344 7.698,345 2.582,346 3.709,347 2.566,348 5.306,349 3.272,350 2.34,351 3.155,353 6.7,354 2.178,355 3.41,356 2.352,357 5.063,358 3.007,359 2.077,360 2.79,362 5.842,363 1.926,364 3.365,365 2.066,366 4.964,367 2.922,368 1.98,369 2.616,371 5.783,372 1.863,373 3.043,374 1.921,375 4.745,376 2.666,377 1.706,378 2.218,380 4.938,381 1.631,382 2.687,383 1.352,384 3.589,385 2.217,386 1.234,387 1.77,389 2.668,390 1.21,391 2.304,392 0.939,393 3.508,394 1.836,395 0.857,396 1.22,398 2.114,399 0.837,400 1.796,401 0.912,402 3.211,403 1.521,404 0.578,405 0.683,407 1.428,408 0.543,409 1.583,410 0.748,411 2.702,412 1.292,413 0.425,414 0.478,415 0.62,416 0.365,417 1.117,418 -0.032,419 2.674,420 0.71,421 -0.225,422 -0.284,423 -0.599,424 -0.209,425 0.904,426 -0.286,427 2.472,428 0.489,429 -0.446,430 -0.567,431 -1.142,432 -0.414,433 0.698,434 -0.372,435 2.136,436 0.324,437 -0.614,438 -0.752,439 -1.379,440 -0.576,441 0.583,442 -0.463,443 2,444 0.153,445 -0.794,446 -0.998,448 -1.93,449 -0.737,450 0.287,451 -0.844,452 1.666,453 -0.034,454 -1,455 -1.297,457 -2.594,458 -0.964,459 9.667,460 0.46,461 0.503,462 0.024,463 30.5,464 1.452,465 16,466 0.762,467 14.5,468 0.69,469 12.633,470 0.602,471 22.733,472 0.631,473 20.608,474 0.981,475 6.297,476 0.3,477 3.872,478 0.184,479 0.134,481 0.362,485 1.087,486 1.301,487 0.782,488 1.032,489 1.249,490 0.852,491 1.015,492 0.884,493 0.767,494 0.869,495 0.643,496 0.799,497 1.08,498 1.36,499 0.98,500 1.175,501 0.97,502 1.066,503 0.706,504 1.196,505 1.028,506 1.27,507 0.645,508 1.245,509 1.23,510 0.724,511 1.255,512 0.888,513 1.328,514 1.046,515 0.861,516 0.866,517 0.959,518 0.939,519 0.836,520 0.959,521 0.846,522 1.016,523 0.783,524 1.026,525 0.716,526 0.923,527 1.133,528 0.959,529 0.948,530 0.838,531 1.173,532 0.834,533 4.5,534 0.062,535 2,536 1.722,537 1.152,538 0.434,539 0.336,540 0.178,541 0.212,542 0.133,543 4422,544 13281,545 2.074,546 41.7,548 9,549 1,551 5,555 1.629,556 1.938,557 3.191,558 2.845,559 1,560 1,562 1,564 60.601,565 1.683,566 3.869,567 4.538,568 4.871,569 4.871,570 4.871,571 2.643,572 4.202,573 4.366,574 3.312,575 695.509,576 7.465,577 7405.43,578 1,579 1,582 186.117,583 1.418,584 4.322,585 0.196,586 0.009,587 0.063,588 0.056,589 0.043,590 0.023,591 0.019,592 0.009,593 0.012,594 0.01,595 0.439,596 0.33,597 1,598 0.819,599 95.139,600 -0.191,601 -0.081,602 0.016,604 -0.301,605 0.059,606 0.058,607 0.216,608 0.122,609 0.15,610 0.2,611 0.137,612 -0.18,613 -0.265,614 -0.102,615 -0.178,616 -0.166,617 -0.127,618 0.272,619 -0.182,620 -0.096,621 -0.284,622 0.274,623 -0.289,624 -0.205,625 0.208,626 -0.242,627 0.045,628 -0.276,629 -0.084,630 -0.075,631 0.043,632 0.031,633 0.065,634 -0.068,635 0.078,636 0.036,637 -0.101,638 0.197,639 -0.001,640 0.168,641 0.109,643 -0.022,644 0.075,645 0.089,646 -0.085,647 0.114,648 1.568,649 1.878,650 0.714,651 14.88,652 1.016,653 1.139,654 1.993,655 3.974,656 0.66,657 3.178,658 3.497,659 3.761,660 4.043,661 4.174,662 4.205,663 4.234,664 4.29,665 4.317,666 4.317,667 5.462,668 0.644,669 285.34,670 3.178,671 4.71,672 5.557,673 6.438,674 7.3,675 8.187,676 9.057,677 9.947,678 10.821,679 11.713,680 13.9,684 2,685 1,690 2,694 2,695 5,696 2,698 1,700 5,702 16,711 2,712 1,716 1,718 36,719 16,720 1,721 23,723 38,724 14,725 12,726 2,727 4,729 3,730 4,741 12,742 2,753 1,754 1,756 1,757 15,758 7,759 5,760 7,764 5,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,806 1,810 21,811 2,816 1,817 1,818 1,829 5.6,834 2,836 10.833,837 6.567,838 4.667,839 1.811,840 3.113,841 1.457,842 1.01,843 3.747,844 9.931,845 3.466,846 4.123,847 4.75,848 5.379,849 5.839,850 6.093,851 6.375,852 6.708,853 6.81,854 7.016,855 1,856 31,857 7.662,859 3.194,860 7.817,861 14.338,863 11.325,865 2.317,866 48.667,870 117.711,871 85.026,872 117.376,874 20.507,877 85.026,878 138.218,879 117.376,880 10.883,881 2.106,882 115.439,883 55.989,884 34.266,885 15.998,886 105.94,888 117.711,889 202.403,890 20.507,893 117.711,894 20.507,897 8.412,898 142.409,899 51.582,901 117.711,902 137.883,903 85.026,906 117.711,907 24.499,908 60.528,909 18.011,910 119.873,911 117.711,912 137.883,913 85.026,915 0.578,916 0.341,917 0.191,918 0.097,919 16,920 7,921 0.105,922 4,923 1,924 1.133,925 3.364,926 159.214,927 0.133,928 15,929 92.239,933 13.823,934 5.692,935 2.827,936 1.071,937 137.883,938 9.241,939 7.965,941 5.368,943 2.993,945 83.805,946 340.621,947 31,956 36.582,957 40.986,958 0.326,959 0.748,960 0.878,961 0.942,962 0.942,963 0.942,964 4.682,965 0.857,966 5.541,967 2.668,968 4.174,969 4.808,970 1.207,971 6.347,972 4.085,973 5.908,974 0.578,975 7.094,976 2.114,977 3.761,978 4.691,980 7.239,981 3.633,982 7.227,983 0.425,984 8.745,985 1.428,986 5.759,987 7.101,988 0.903,989 10.344,990 5.6,991 8.585,992 -0.225,993 10.454,994 0.62,995 6.155,996 7.827,998 12.111,999 5.972,1000 9.975,1001 -0.446,1002 12.204,1003 -0.599,1004 7.629,1005 9.71,1006 0.678,1007 14.748,1008 7.422,1009 11.389,1010 -0.614,1011 13.983,1012 -1.142,1013 8.417,1014 10.849,1016 16.901,1017 8.196,1018 12.823,1019 -0.794,1020 15.786,1021 -1.379,1022 9.683,1023 12.517,1024 0.512,1025 19.384,1026 9.441,1027 3.188,1028 -1,1029 17.609,1030 -1.93,1031 10.663,1032 13.861,1034 21.694,1035 10.408,1036 2.689,1037 11.107,1038 19.449,1039 -2.594,1040 11.848,1041 15.439,1042 0.387,1043 24.127,1044 11.574,1045 2.34,1046 7.698,1047 21.302,1048 4.608,1049 12.919,1050 16.881,1052 26.497,1053 12.63,1054 2.077,1055 6.7,1056 23.167,1057 3.669,1058 14.077,1059 18.424,1060 0.293,1061 28.913,1062 13.769,1063 1.98,1064 5.842,1065 25.042,1066 3.155,1067 15.191,1068 19.911,1070 31.306,1071 14.865,1072 1.706,1073 5.783,1074 26.924,1075 2.79,1076 16.341,1077 21.441,1078 0.221,1079 33.716,1080 15.996,1081 1.234,1082 4.938,1083 28.812,1084 2.616,1085 17.475,1086 22.949,1088 36.118,1089 17.111,1090 4326,1091 7615,1092 15.315,1093 23.745,1094 34.247,1095 34.617,1096 35.427,1097 34.139,1098 34.146,1099 46.414,1100 3.035,1101 97.799,1102 32.506,1103 5.475,1104 5.27,1105 6.376,1106 5.236,1107 5.188,1108 7.608,1109 1.72,1110 17.998,1111 5.117,1112 9.899,1113 1.489,1114 1.505,1115 1.54,1116 1.484,1117 1.485,1118 2.018,1119 0.132,1120 4.252,1121 1.413,1122 4.089,1123 4.111,1124 4.068,1125 3.939,1126 5.363,1127 3.966,1128 3.9,1129 3.927,1130 3.844,1131 3.809,1132 4.985,1133 3.814,1134 3.453,1135 3.527,1136 3.377,1137 3.217,1138 4.948,1139 3.248,1140 3.266,1141 3.328,1142 3.127,1143 2.979,1144 4.873,1145 3,1146 3.138,1147 3.213,1148 2.994,1149 2.869,1150 4.421,1151 2.886,1152 3.072,1153 3.196,1154 2.929,1155 2.728,1156 4.146,1157 2.775,1158 2.783,1159 2.858,1160 2.608,1161 2.635,1162 4.039,1163 2.615,1164 2.708,1165 2.784,1166 2.527,1167 2.542,1168 3.674,1169 2.532,1170 0.202,1171 0.142,1172 0.295,1173 0.181,1174 0.139,1175 4.638,1176 0.2,1177 3.27,1178 0.037,1179 6.78,1180 0.483,1181 4.165,1182 0.136,1183 3.188,1184 4.608,1185 0.86,1186 11.107,1187 3.117,1188 1.894,1189 1.867,1190 2.001,1191 2.022,1192 1.121,1193 2.012,1194 1.807,1195 1.777,1196 1.862,1197 1.973,1198 1.009,1199 1.942,1200 1.474,1201 1.438,1202 1.63,1203 1.712,1204 0.634,1205 1.694,1206 1.198,1207 1.129,1208 1.565,1209 1.513,1210 0.571,1211 1.528,1212 1.03,1213 0.967,1214 1.28,1215 1.372,1216 0.24,1217 1.355,1218 0.957,1219 0.871,1220 1.22,1221 1.356,1222 0.155,1223 1.318,1224 0.839,1225 0.752,1226 1.116,1227 1.131,1228 0.084,1229 1.135,1230 0.777,1231 0.698,1232 1.06,1233 0.981,1235 1.018,1236 3.85,1238 5.165,1239 2.398,1240 6.673,1241 4.727,1242 8.276,1243 6.843,1244 9.929,1246 1.63,1250 11.417,1252 0.525,1253 3.273,1254 5.182,1262 23.171,1263 60.601,1264 139.288,1265 163.362,1266 175.362,1267 175.362,1268 175.362,1269 25.682,1270 6.818,1271 112.22,1272 112.22,1273 17,1274 12.244,1275 4.087,1276 3.17,1277 32.303,1278 69,1279 67,1280 0.233,1281 144.355,1282 235.08,1283 343.987,1284 7752,1286 14.82,1287 0.706,1288 0.546,1289 14.82,1290 11.459,1291 10.169,1292 0.442,1293 0.276,1294 6.2,1295 9.62,1296 6.061,1297 5.057,1298 10.169,1299 6.341,1300 9.113,1301 0.285,1302 0.14,1303 9.113,1304 4.494,1305 7.548,1306 0.18,1307 0.074,1308 7.548,1309 3.108,1310 6.629,1311 0.118,1312 0.038,1313 6.629,1314 2.107,1315 4.858,1316 0.076,1317 0.02,1318 4.858,1319 1.28,1320 0.364,1321 64.886,1322 0.256,1323 20.829,1324 0.642,1325 110,1326 353.719,1327 124.636,1328 339.176,1329 468.35,1330 318,1331 129,1332 353.923,1333 143.138,1334 357.808,1335 520.55,1336 334,1337 4.504}
{0 CHEMBL23705,1 1.613,2 10.692,3 2.199,4 4.836,5 101.823,6 7.385,7 0.607,8 3.978,9 4.111,10 3.528,11 3.418,12 5.152,13 3.425,14 4.474,15 4.671,16 3.875,17 3.773,18 5.586,19 3.77,20 4.584,21 4.737,22 4.008,23 3.966,24 5.685,25 3.948,26 4.817,27 5.016,28 4.012,29 4.063,30 5.921,31 3.992,32 4.961,33 5.22,34 3.809,35 4.049,36 5.911,37 3.938,38 4.848,39 5.111,40 3.655,41 3.932,42 5.745,43 3.798,44 4.739,45 5.015,46 3.61,47 3.798,48 5.639,49 3.687,50 4.59,51 4.847,52 3.493,53 3.684,54 5.561,55 3.578,56 0.069,57 0.737,58 10.221,59 3.694,60 12.08,61 5.229,62 0.392,63 1.081,64 19.275,65 6.112,66 31.761,67 8.549,68 0.232,69 1.301,70 19.625,71 6.902,72 15.502,73 9.857,74 0.433,75 1.494,76 26.336,77 9.281,78 40.94,79 13.409,80 0.597,81 1.509,82 33.491,83 9.308,84 55.809,85 14.567,86 0.477,87 1.299,88 30.051,89 9.621,90 45.052,91 14.301,92 0.451,93 1.139,94 27.641,95 8.224,96 40.707,97 12.635,98 0.335,99 1.033,100 22.887,101 6.825,102 37.006,103 10.468,104 41,105 40,106 0.275,107 0.636,108 0.796,109 0.834,110 0.841,111 0.863,112 3.304,113 0.862,114 -3.38,115 -3.37,116 -3.22,119 37.5,120 1,124 3,125 1,139 3,140 3,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 4,169 2,170 9,172 3,173 3,175 1,178 4,180 1,181 1,182 8,187 1,189 1,191 1,192 3,193 8,195 3,196 3,197 1,198 3,200 2,201 1,204 3,205 1,206 1,207 1,212 1,215 3,218 1,220 2,221 2,223 1,224 1,226 2,229 4,231 2,233 1,234 5,241 4,246 3,248 1,249 1,251 1,256 1,259 3,260 6,262 1,263 1,265 2,270 2,273 928,274 17.326,275 17.326,276 17.326,277 17.326,278 17.326,279 15.217,280 24.267,281 9.879,282 18.008,283 13.638,284 13.638,285 13.638,286 13.638,287 13.638,288 10.344,289 33.391,290 4.476,291 14.552,292 3.972,293 1.85,294 0.912,295 0.688,296 0.646,297 0.521,298 3.98,300 1,301 1,302 1,303 586,304 3.24,307 223.784,311 117.418,314 1.485,315 22.155,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 57,327 278,328 4.656,329 3.364,330 6.838,331 4.192,332 3.219,333 4.616,334 0.916,335 11.244,336 3.135,337 4.333,338 3.238,339 6.467,340 3.961,341 3.014,342 3.952,343 0.86,344 10.012,345 2.853,346 3.915,347 2.827,348 5.817,349 3.517,350 2.563,351 3.415,352 0.86,353 7.95,354 2.444,355 3.626,356 2.656,357 5.354,358 3.263,359 2.335,360 2.935,361 0.172,362 6.834,363 2.16,364 3.453,365 2.385,366 5.101,367 2.989,368 2.058,369 2.86,371 5.954,372 1.91,373 3.386,374 2.142,375 5.022,376 2.908,377 1.99,378 2.705,380 5.808,381 1.823,382 3.056,383 2.036,384 4.865,385 2.736,386 1.822,387 2.184,389 5.143,390 1.655,391 2.711,392 1.625,393 4.253,394 2.314,395 1.359,396 1.782,398 3.566,399 1.294,400 2.529,401 1.389,402 3.887,403 2.139,404 1.185,405 1.537,407 2.969,408 1.127,409 1.723,410 1.014,411 3.118,412 1.418,413 0.523,414 0.601,415 1.014,416 0.462,417 1.592,418 0.938,419 2.851,420 1.32,421 0.464,422 0.512,423 0.673,424 0.394,425 1.526,426 0.592,427 2.818,428 1.194,429 0.27,430 0.324,431 0.555,432 0.249,433 1.196,434 0.113,435 2.776,436 0.838,437 -0.11,438 -0.137,439 -0.288,440 -0.105,441 0.97,442 -0.064,443 2.625,444 0.534,445 -0.384,446 -0.49,448 -0.878,449 -0.351,450 0.782,451 -0.263,452 2.337,453 0.422,454 -0.492,455 -0.59,457 -1.111,458 -0.445,459 12.067,460 0.464,461 0.733,462 0.028,463 36.25,464 1.394,465 18.5,466 0.712,467 17.75,468 0.683,469 20.117,470 0.774,471 28.733,472 0.599,473 27.82,474 1.07,475 7.451,476 0.287,477 4.988,478 0.192,479 0.232,481 0.406,485 1.027,486 1.497,487 0.823,488 1.197,489 1.192,490 0.996,491 1.2,492 0.748,493 0.736,494 0.645,495 0.691,496 0.623,497 1.046,498 1.411,499 0.967,500 1.197,501 0.903,502 1.087,503 0.679,504 1.261,505 1.037,506 1.345,507 0.622,508 1.275,509 1.153,510 0.945,511 1.202,512 0.994,513 1.203,514 1.079,515 0.923,516 0.902,517 1.067,518 1.077,519 0.942,520 1.104,521 0.958,522 0.879,523 0.877,524 0.867,525 0.803,526 0.867,527 1.004,528 1.025,529 1.067,530 1.08,531 1.138,532 1.081,533 6,534 0.169,535 3.333,536 2.688,537 2.142,538 1.021,539 0.588,540 0.389,541 0.361,542 0.172,543 7320,544 20870,545 1.992,546 45.8,547 3,548 14,550 1,551 4,555 1.691,556 1.814,557 3.361,558 1.773,559 1,560 1,564 77.402,565 1.613,566 3.735,567 4.673,568 4.897,569 4.939,570 5.064,571 2.822,572 4.47,573 4.673,574 3.484,575 1132.25,576 8.101,577 13868.5,579 1,581 1,582 268.078,583 1.549,584 4.601,585 0.214,586 0.011,587 0.083,588 0.06,589 0.051,590 0.031,591 0.021,592 0.014,593 0.015,594 0.008,595 0.508,596 0.17,597 1,598 0.954,599 126.407,600 -0.113,601 -0.232,602 0.043,603 -0.099,604 -0.227,605 -0.007,606 -0.018,607 0.351,608 0.229,609 0.364,610 0.199,611 0.337,612 -0.105,613 -0.203,614 -0.083,615 -0.116,616 -0.107,617 -0.099,618 0.17,619 -0.162,620 -0.124,621 -0.3,622 0.199,623 -0.278,624 -0.194,625 0.035,626 -0.22,627 -0.042,628 -0.243,629 -0.116,630 -0.036,631 0.018,632 -0.09,633 -0.075,634 -0.089,635 -0.094,636 -0.013,637 -0.002,638 0.125,639 0.118,640 0.054,641 0.142,642 -0.095,643 -0.067,644 -0.09,645 -0.101,646 -0.152,647 -0.093,648 1.547,649 2.028,650 0.615,651 21.207,652 1.007,653 1.14,654 2.154,655 4.639,656 0.647,657 3.367,658 3.714,659 4.007,660 4.277,661 4.477,662 4.533,663 4.564,664 4.595,665 4.718,666 4.691,667 6.075,668 0.62,669 354.46,670 3.367,671 4.92,672 5.784,673 6.678,674 7.557,675 8.456,676 9.34,677 10.239,678 11.125,679 12.025,680 12.5,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,716 2,718 48,719 17,720 1,721 28,723 50,724 18,725 13,726 3,727 3,729 3,730 4,734 1,741 13,742 5,753 1,754 1,757 22,758 8,759 4,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 4,810 26,811 2,816 1,818 2,821 1,829 4.2,834 2,836 14.333,837 9.883,838 5.833,839 2.465,840 3.379,841 1.468,842 0.972,843 5.228,844 10.606,845 3.624,846 4.29,847 4.927,848 5.539,849 6.103,850 6.389,851 6.681,852 7.007,853 7.402,854 7.507,855 1,856 45,857 9.51,859 3.894,860 7.75,861 17.953,863 14.047,865 2.25,866 58.5,870 211.88,871 106.7,872 119.275,874 22,877 106.7,878 233.88,879 119.275,880 38.988,881 2.106,882 94.223,883 62.128,884 58.075,885 4.227,886 200.109,888 211.88,889 225.975,890 22,893 213.595,894 22,897 21.877,898 152.026,899 50.357,901 211.88,902 141.275,903 106.7,906 211.88,907 30.236,908 79.588,910 138.151,911 211.88,912 141.275,913 106.7,915 0.585,916 0.361,917 0.199,918 0.106,919 19,920 10,921 0.1,922 5,923 1,924 1.125,925 3.624,926 219.571,927 0.125,928 16,929 122.211,933 18.327,934 7.416,935 3.585,936 1.229,937 141.275,938 7.496,939 12.586,943 4.858,945 65.794,946 459.854,947 36.5,956 48.334,957 54.73,958 0.289,959 0.669,960 0.837,961 0.877,962 0.884,963 0.907,964 4.869,965 1.359,966 5.796,967 5.143,968 4.394,969 4.977,970 1.698,971 6.648,972 4.279,973 6.11,974 1.185,975 7.388,976 3.566,977 4.111,978 4.956,979 0.325,980 7.636,981 3.96,982 7.445,983 0.523,984 9.078,985 2.969,986 6.033,987 7.281,988 1.422,989 10.745,990 5.832,991 8.818,992 0.464,993 10.822,994 1.014,995 6.524,996 8.046,997 0.393,998 12.532,999 6.296,1000 10.219,1001 0.27,1002 12.602,1003 0.673,1004 7.954,1005 9.888,1006 1.2,1007 15.184,1008 7.689,1009 11.642,1010 -0.11,1011 14.406,1012 0.555,1013 8.8,1014 11.032,1015 0.384,1016 17.317,1017 8.51,1018 13.082,1019 -0.384,1020 16.23,1021 -0.288,1022 10.046,1023 12.68,1024 1.01,1025 19.808,1026 9.725,1027 3.219,1028 -0.492,1029 18.069,1030 -0.878,1031 11.058,1032 14.015,1033 0.351,1034 22.091,1035 10.711,1036 3.014,1037 11.244,1038 19.919,1039 -1.111,1040 12.236,1041 15.581,1042 0.845,1043 24.523,1044 11.86,1045 2.563,1046 10.012,1047 21.78,1048 4.616,1049 13.322,1050 17.011,1051 0.312,1052 26.872,1053 12.921,1054 2.335,1055 7.95,1056 23.649,1057 3.952,1058 14.477,1059 18.546,1060 0.702,1061 29.284,1062 14.048,1063 2.058,1064 6.834,1065 25.524,1066 3.415,1067 15.597,1068 20.022,1069 0.273,1070 31.663,1071 15.143,1072 1.99,1073 5.954,1074 27.406,1075 2.935,1076 16.746,1077 21.545,1078 0.579,1079 34.068,1080 16.265,1081 1.822,1082 5.808,1083 29.292,1084 2.86,1085 17.883,1086 23.044,1087 0.236,1088 36.462,1089 17.376,1090 7256,1091 12375,1092 17.918,1093 31.034,1094 41.725,1095 42.584,1096 44.301,1097 41.527,1098 41.601,1099 54.849,1100 5.618,1101 123.444,1102 39.012,1103 5.498,1104 5.364,1105 6.395,1106 5.267,1107 5.219,1108 7.616,1109 1.776,1110 18.534,1111 5.135,1112 15.836,1113 1.49,1114 1.521,1115 1.582,1116 1.483,1117 1.486,1118 1.959,1119 0.201,1120 4.409,1121 1.393,1122 4.076,1123 4.116,1124 4.051,1125 3.963,1126 5.321,1127 3.979,1128 3.923,1129 3.947,1130 3.881,1131 3.822,1132 4.982,1133 3.833,1134 3.57,1135 3.635,1136 3.496,1137 3.378,1138 4.925,1139 3.401,1140 3.36,1141 3.437,1142 3.238,1143 3.116,1144 4.803,1145 3.132,1146 3.273,1147 3.338,1148 3.093,1149 2.98,1150 4.58,1151 2.993,1152 3.168,1153 3.263,1154 3.049,1155 2.931,1156 4.304,1157 2.94,1158 3.147,1159 3.238,1160 2.926,1161 2.886,1162 4.168,1163 2.881,1164 3.023,1165 3.153,1166 2.813,1167 2.706,1168 4.032,1169 2.723,1170 0.166,1171 0.12,1172 0.244,1173 0.15,1174 0.115,1175 4.656,1176 0.165,1177 3.364,1178 0.033,1179 6.838,1180 0.402,1181 4.192,1182 0.112,1183 3.219,1184 4.616,1185 0.916,1186 11.244,1187 3.135,1188 2,1189 1.969,1190 2.065,1191 2.135,1192 1.243,1193 2.114,1194 1.876,1195 1.857,1196 1.965,1197 2.005,1198 1.081,1199 1.993,1200 1.503,1201 1.441,1202 1.691,1203 1.734,1204 0.803,1205 1.725,1206 1.302,1207 1.223,1208 1.589,1209 1.583,1210 0.584,1211 1.589,1212 1.212,1213 1.138,1214 1.58,1215 1.54,1216 0.565,1217 1.553,1218 1.146,1219 1.058,1220 1.535,1221 1.431,1222 0.558,1223 1.469,1224 1.113,1225 1.019,1226 1.447,1227 1.398,1228 0.533,1229 1.408,1230 0.946,1231 0.827,1232 1.263,1233 1.337,1234 0.167,1235 1.341,1236 4.043,1238 5.38,1240 6.925,1242 8.569,1244 10.265,1246 7.226,1250 11.678,1252 0.612,1254 10.742,1257 2.072,1262 29.772,1263 77.402,1264 179.265,1265 224.304,1266 235.059,1267 237.059,1268 243.059,1269 39.05,1270 7.226,1271 112.41,1272 112.41,1273 18,1274 12.55,1275 4.17,1276 3.248,1277 44.356,1278 96,1279 98,1280 0.232,1281 186.591,1282 312.64,1283 447.043,1284 12608,1286 18.845,1287 0.725,1288 0.588,1289 18.845,1290 15.277,1291 12.439,1292 0.444,1293 0.287,1294 7.864,1295 11.76,1296 7.521,1297 6.345,1298 12.439,1299 8.046,1300 11.22,1301 0.281,1302 0.149,1303 11.22,1304 5.968,1305 9.597,1306 0.178,1307 0.08,1308 9.597,1309 4.34,1310 8.249,1311 0.116,1312 0.041,1313 8.249,1314 2.933,1315 6.276,1316 0.072,1317 0.022,1318 6.276,1319 1.885,1320 0.361,1321 79.373,1322 0.236,1323 24.864,1324 0.646,1325 136,1326 418.676,1327 151.998,1328 402.729,1329 556.17,1330 378,1331 162,1332 416.344,1333 178.194,1334 426.722,1335 619.86,1336 395,1337 6.481}
{0 CHEMBL23713,1 1.563,2 10.083,3 2.348,4 5.515,5 96.166,6 7.373,7 0.654,8 3.889,9 4.03,10 3.437,11 3.369,12 5.058,13 3.366,14 4.371,15 4.564,16 3.791,17 3.734,18 5.496,19 3.711,20 4.515,21 4.688,22 3.887,23 3.891,24 5.604,25 3.856,26 4.697,27 4.912,28 3.82,29 3.927,30 5.797,31 3.836,32 4.794,33 5.082,34 3.572,35 3.843,36 5.704,37 3.716,38 4.582,39 4.854,40 3.453,41 3.696,42 5.502,43 3.575,44 4.419,45 4.662,46 3.404,47 3.642,48 5.362,49 3.527,50 4.481,51 4.766,52 3.373,53 3.565,54 5.396,55 3.441,56 0.057,57 0.696,58 9.307,59 3.369,60 11.257,61 4.797,62 0.265,63 1.031,64 16.751,65 5.924,66 26.308,67 8.296,68 0.134,69 1.227,70 18.456,71 6.397,72 14.825,73 9.345,74 0.337,75 1.346,76 23.436,77 8.021,78 38.757,79 11.861,80 0.4,81 1.28,82 28.833,83 7.759,84 49.05,85 12.583,86 0.389,87 1.036,88 23.207,89 7.206,90 37.987,91 10.748,92 0.15,93 0.952,94 18.332,95 6.397,96 23.369,97 9.571,98 0.275,99 0.909,100 21.085,101 6.727,102 31.622,103 10.31,104 27,105 37,106 0.271,107 0.647,108 0.801,109 0.843,110 0.867,111 0.867,112 3.228,113 0.871,114 -3.89,115 -3.85,116 -3.65,119 38.6,120 2,124 1,125 1,139 3,140 4,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 6,169 2,170 6,172 3,173 3,175 4,178 7,180 1,182 4,187 4,189 3,191 1,192 1,193 6,195 3,196 5,197 1,198 6,200 2,201 2,204 3,205 1,207 1,212 1,215 4,218 1,221 3,224 2,225 1,226 2,228 1,229 7,231 2,234 3,241 5,245 1,246 7,250 1,251 2,253 1,254 2,256 2,260 4,265 2,270 2,273 770,274 15.955,275 15.955,276 15.955,277 15.955,278 15.955,279 13.769,280 21.801,281 9.147,282 16.423,283 12.717,284 12.717,285 12.717,286 12.717,287 12.717,288 9.403,289 30.879,290 4.232,291 13.384,292 3.896,293 1.726,294 0.841,295 0.597,296 0.461,297 0.461,298 3.906,300 1,301 1,302 1,303 513,304 2.739,307 199.492,311 103.953,314 1.424,315 19.747,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52,327 242,328 4.654,329 3.315,330 6.835,331 4.185,332 3.212,333 4.616,334 0.86,335 11.231,336 3.13,337 4.244,338 3.07,339 6.08,340 3.848,341 2.873,342 3.892,343 0.657,344 8.817,345 2.8,346 3.903,347 2.74,348 5.795,349 3.493,350 2.536,351 3.408,353 7.84,354 2.427,355 3.521,356 2.594,357 5.192,358 3.146,359 2.212,360 2.861,362 6.371,363 2.058,364 3.453,365 2.212,366 5.097,367 2.986,368 2.05,369 2.83,371 5.912,372 1.912,373 3.384,374 2.053,375 5.009,376 2.902,377 1.98,378 2.706,380 5.793,381 1.821,382 2.892,383 1.803,384 4.305,385 2.525,386 1.555,387 2.029,389 4.017,390 1.506,391 2.703,392 1.557,393 4.182,394 2.295,395 1.339,396 1.774,398 3.497,399 1.277,400 2.034,401 1.13,402 3.348,403 1.735,404 0.787,405 0.952,407 1.861,408 0.744,409 1.73,410 0.954,411 2.901,412 1.457,413 0.575,414 0.64,415 0.953,416 0.5,417 1.422,418 0.439,419 2.829,420 1.071,421 0.137,422 0.167,423 0.305,424 0.127,425 1.195,426 0.142,427 2.808,428 0.838,429 -0.109,430 -0.135,431 -0.28,432 -0.103,433 1.043,434 0.079,435 2.608,436 0.707,437 -0.235,438 -0.282,439 -0.484,440 -0.22,441 0.86,442 -0.293,443 2.316,444 0.451,445 -0.467,446 -0.585,448 -1.17,449 -0.426,450 0.631,451 -0.472,452 2.092,453 0.234,454 -0.717,455 -0.886,457 -1.882,458 -0.673,459 11.233,460 0.468,461 0.682,462 0.028,463 34,464 1.417,465 18,466 0.75,467 16,468 0.667,469 17.696,470 0.737,471 25.967,472 0.59,473 24.209,474 1.009,475 6.842,476 0.285,477 4.648,478 0.194,479 0.205,481 0.401,485 1.081,486 1.334,487 0.843,488 1.053,489 1.258,490 0.923,491 0.93,492 0.845,493 0.707,494 0.789,495 0.572,496 0.739,497 1.082,498 1.423,499 0.984,500 1.197,501 0.907,502 1.094,503 0.698,504 1.24,505 1.133,506 1.362,507 0.682,508 1.327,509 1.122,510 0.886,511 1.105,512 0.9,513 1.198,514 0.969,515 1.1,516 0.706,517 1.015,518 0.837,519 0.972,520 0.913,521 0.768,522 1.109,523 1.037,524 1.192,525 0.913,526 1.159,527 0.705,528 0.863,529 0.787,530 0.911,531 0.682,532 0.874,533 5.5,534 0.128,535 3.111,536 2.188,537 1.822,538 0.757,539 0.386,540 0.349,541 0.275,542 0.181,543 6118,544 16640,545 2.015,546 45.5,547 6,548 8,550 1,551 5,555 1.668,556 1.846,557 3.285,558 2.661,559 1,560 1,562 1,564 68.78,565 1.563,566 3.734,567 4.618,568 4.863,569 4.999,570 4.999,571 2.709,572 4.335,573 4.559,574 3.425,575 945.17,576 7.862,577 11045.4,579 1,581 1,582 240.215,583 1.528,584 4.493,585 0.212,586 0.01,587 0.084,588 0.055,589 0.054,590 0.029,591 0.016,592 0.015,593 0.012,594 0.01,595 0.496,596 0.17,597 1,598 0.854,599 113.883,600 -0.15,601 -0.088,602 0.022,603 0.012,604 -0.271,605 0.047,606 0.138,607 0.259,608 0.227,609 0.244,610 0.268,611 0.24,612 -0.152,613 -0.266,614 -0.09,615 -0.152,616 -0.112,617 -0.119,618 0.167,619 -0.165,620 -0.209,621 -0.36,622 0.168,623 -0.356,624 -0.191,625 0.045,626 -0.1,627 0.026,628 -0.196,629 -0.007,630 -0.061,631 0.205,632 -0.013,633 0.142,634 -0.048,635 0.077,636 -0.054,637 -0.123,638 -0.105,639 -0.155,640 -0.113,641 -0.137,642 0.166,643 0.001,644 0.214,645 0.087,646 0.172,647 0.148,648 1.537,649 1.988,650 0.667,651 18.924,652 1.003,653 1.139,654 2.665,655 7.1,656 0.655,657 3.296,658 3.638,659 3.912,660 4.159,661 4.369,662 4.407,663 4.394,664 4.477,665 4.575,666 4.605,667 5.878,668 0.626,669 324.43,670 3.296,671 4.844,672 5.7,673 6.586,674 7.458,675 8.347,676 9.224,677 10.115,678 10.994,679 11.887,680 13.6,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 1,718 44,719 17,720 1,721 26,723 46,724 17,725 13,726 3,727 3,729 3,730 4,734 2,741 13,742 4,753 1,754 1,757 20,758 7,759 5,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 3,810 24,811 2,816 1,817 1,818 1,829 2.3,834 1,836 13,837 8.767,838 5.306,839 2.344,840 3.394,841 1.478,842 0.995,843 4.513,844 10.486,845 3.57,846 4.248,847 4.875,848 5.479,849 6.052,850 6.313,851 6.583,852 6.94,853 7.327,854 7.453,855 0.857,856 40,857 8.781,859 3.627,860 7.729,861 16.637,863 13.184,865 2.229,866 53.5,869 1,870 176.567,871 94.188,872 134.162,874 11,877 94.188,878 187.566,879 134.162,880 28.533,881 2.106,882 94.223,883 80.138,884 41.892,885 4.227,886 164.795,888 176.567,889 228.349,890 11,893 178.282,894 11,897 30.703,898 127.564,899 68.367,901 176.567,902 145.162,903 94.188,906 176.567,907 28.178,908 66.01,909 18.011,910 127.151,911 176.567,912 145.162,913 94.188,915 0.588,916 0.354,917 0.188,918 0.101,919 18,920 9,921 0.087,922 4,923 1,924 1.125,925 3.526,926 194.142,927 0.125,928 16,929 110.039,933 16.43,934 6.593,935 3.28,936 1.254,937 145.162,938 7.705,939 12.515,943 5.444,945 83.805,946 415.916,947 34.5,956 44.123,957 50.106,958 0.286,959 0.684,960 0.846,961 0.891,962 0.916,963 0.916,964 4.806,965 1.339,966 5.707,967 4.017,968 4.317,969 4.934,970 1.207,971 6.538,972 4.226,973 6.051,974 0.787,975 7.287,976 3.497,977 4.007,978 4.913,980 7.486,981 3.898,982 7.385,983 0.575,984 8.964,985 1.861,986 5.938,987 7.249,988 0.903,989 10.584,990 5.78,991 8.756,992 0.137,993 10.695,994 0.953,995 6.399,996 8.008,998 12.342,999 6.233,1000 10.156,1001 -0.109,1002 12.463,1003 0.305,1004 7.836,1005 9.858,1006 0.678,1007 14.989,1008 7.632,1009 11.576,1010 -0.235,1011 14.256,1012 -0.28,1013 8.658,1014 10.998,1016 17.11,1017 8.446,1018 13.014,1019 -0.467,1020 16.069,1021 -0.484,1022 9.906,1023 12.651,1024 0.512,1025 19.602,1026 9.664,1027 3.212,1028 -0.717,1029 17.898,1030 -1.17,1031 10.901,1032 13.984,1034 21.886,1035 10.645,1036 2.873,1037 11.231,1038 19.741,1039 -1.882,1040 12.078,1041 15.554,1042 0.387,1043 24.323,1044 11.795,1045 2.536,1046 8.817,1047 21.594,1048 4.616,1049 13.154,1050 16.984,1052 26.68,1053 12.852,1054 2.212,1055 7.84,1056 23.457,1057 3.892,1058 14.307,1059 18.521,1060 0.293,1061 29.1,1062 13.98,1063 2.05,1064 6.371,1065 25.328,1066 3.408,1067 15.421,1068 19.998,1070 31.489,1071 15.073,1072 1.98,1073 5.912,1074 27.206,1075 2.861,1076 16.569,1077 21.524,1078 0.221,1079 33.904,1080 16.196,1081 1.555,1082 5.793,1083 29.09,1084 2.83,1085 17.702,1086 23.024,1088 36.309,1089 17.306,1090 6023,1091 10060,1092 16.819,1093 28.819,1094 38.69,1095 39.2,1096 40.563,1097 38.469,1098 38.509,1099 51.751,1100 3.035,1101 113.19,1102 36.606,1103 5.491,1104 5.315,1105 6.385,1106 5.26,1107 5.212,1108 7.616,1109 1.72,1110 18.467,1111 5.13,1112 13.758,1113 1.488,1114 1.508,1115 1.56,1116 1.48,1117 1.481,1118 1.99,1119 0.117,1120 4.353,1121 1.408,1122 4.074,1123 4.114,1124 4.049,1125 3.963,1126 5.321,1127 3.978,1128 3.927,1129 3.956,1130 3.875,1131 3.846,1132 4.982,1133 3.849,1134 3.549,1135 3.617,1136 3.48,1137 3.361,1138 4.875,1139 3.384,1140 3.322,1141 3.381,1142 3.174,1143 3.089,1144 4.8,1145 3.096,1146 3.205,1147 3.302,1148 3.055,1149 2.99,1150 4.428,1151 2.989,1152 3.13,1153 3.231,1154 3.015,1155 2.87,1156 4.206,1157 2.894,1158 3.039,1159 3.152,1160 2.81,1161 2.816,1162 4.039,1163 2.79,1164 3.023,1165 3.142,1166 2.767,1167 2.705,1168 3.94,1169 2.722,1170 0.179,1171 0.128,1172 0.263,1173 0.161,1174 0.124,1175 4.654,1176 0.178,1177 3.315,1178 0.033,1179 6.835,1180 0.432,1181 4.185,1182 0.12,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.13,1188 1.999,1189 1.968,1190 2.068,1191 2.134,1192 1.233,1193 2.113,1194 1.902,1195 1.878,1196 2.004,1197 2.01,1198 1.128,1199 2.01,1200 1.48,1201 1.419,1202 1.634,1203 1.71,1204 0.741,1205 1.697,1206 1.274,1207 1.212,1208 1.608,1209 1.561,1210 0.627,1211 1.576,1212 1.192,1213 1.1,1214 1.537,1215 1.458,1216 0.559,1217 1.488,1218 1.075,1219 0.975,1220 1.468,1221 1.369,1222 0.526,1223 1.386,1224 1.039,1225 0.951,1226 1.283,1227 1.334,1228 0.226,1229 1.343,1230 0.946,1231 0.826,1232 1.258,1233 1.316,1234 0.128,1235 1.328,1236 3.97,1238 5.303,1240 6.841,1242 8.477,1244 10.164,1246 5.678,1250 11.613,1252 0.604,1253 3.414,1254 5.273,1262 27.531,1263 68.78,1264 164.287,1265 203.195,1266 213.95,1267 219.95,1268 219.95,1269 33.436,1270 7.093,1271 111.97,1272 111.97,1273 18,1274 12.416,1275 4.17,1276 3.248,1277 39.346,1278 85,1279 82,1280 0.23,1281 173.003,1282 286.55,1283 413.887,1284 10892,1286 17.267,1287 0.719,1288 0.58,1289 17.267,1290 13.921,1291 11.49,1292 0.442,1293 0.29,1294 7.423,1295 11.002,1296 7.122,1297 5.994,1298 11.49,1299 7.55,1300 10.49,1301 0.284,1302 0.152,1303 10.49,1304 5.608,1305 8.896,1306 0.182,1307 0.083,1308 8.896,1309 4.049,1310 7.411,1311 0.118,1312 0.042,1313 7.411,1314 2.62,1315 5.672,1316 0.073,1317 0.021,1318 5.672,1319 1.672,1320 0.358,1321 72.36,1322 0.244,1323 23.314,1324 0.634,1325 126,1326 359.628,1327 138.759,1328 354.207,1329 493.09,1330 332,1331 149,1332 374.024,1333 161.316,1334 383.868,1335 557.54,1336 358,1337 6.824}
{0 CHEMBL23746,1 1.447,2 8.727,3 4.123,4 16.996,5 92.3,6 6.532,7 0.522,8 3.888,9 4.036,10 3.312,11 3.387,12 4.982,13 3.341,14 4.395,15 4.605,16 3.633,17 3.765,18 5.404,19 3.678,20 4.639,21 4.87,22 3.722,23 3.91,24 5.608,25 3.809,26 4.748,27 4.992,28 3.665,29 3.933,30 5.748,31 3.812,32 4.721,33 4.955,34 3.614,35 3.935,36 5.679,37 3.799,38 4.793,39 5.064,40 3.512,41 3.9,42 5.675,43 3.744,44 4.71,45 4.995,46 3.449,47 3.814,48 5.513,49 3.638,50 4.691,51 5.001,52 3.33,53 3.646,54 5.665,55 3.476,56 0.072,57 0.671,58 10.885,59 4.054,60 12.9,61 5.984,62 0.183,63 1.015,64 18.284,65 7.268,66 21.751,67 10.399,68 0.146,69 1.203,70 23.538,71 8.431,72 25.508,73 12.687,74 0.324,75 1.248,76 26.829,77 9.136,78 49.497,79 13.509,80 0.206,81 1.238,82 25.738,83 9.252,84 38.74,85 13.715,86 0.312,87 1.231,88 28.114,89 9.316,90 47.374,91 14.125,92 0.136,93 1.153,94 25.277,95 8.975,96 24.859,97 13.86,98 0.425,99 1.055,100 25.781,101 7.101,102 60.377,103 11.888,104 34,105 31,106 0.253,107 0.597,108 0.761,109 0.776,110 0.776,111 0.776,112 3.147,113 1.011,114 -4.5,115 -4.43,116 -4.17,119 37,120 2,121 5,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 12,169 1,170 2,172 3,173 3,175 3,178 13,180 1,182 2,187 5,189 14,191 1,193 2,195 1,196 1,197 1,198 5,200 2,201 13,204 2,205 1,207 4,212 6,215 12,218 3,221 4,226 4,229 9,231 3,234 4,239 4,241 4,243 4,246 4,249 2,250 1,251 4,253 1,254 1,256 4,260 4,265 4,270 4,273 656,274 14.671,275 14.671,276 14.671,277 14.671,278 14.671,279 13.065,280 18.231,281 8.855,282 14.877,283 11.27,284 11.27,285 11.27,286 11.27,287 11.27,288 8.855,289 21.753,290 4.046,291 11.628,292 4.077,293 2.103,294 1.163,295 1.076,296 1.076,297 1.076,298 3.805,301 1,302 1,303 388,304 2.915,307 152.087,314 1.231,315 20.271,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 47,327 192,328 4.413,329 3.29,330 6.438,331 4.036,332 3.051,333 4.098,334 0.68,335 9.902,336 3.003,337 4.226,338 3.057,339 6.086,340 3.81,341 2.851,342 3.874,344 8.824,345 2.738,346 3.587,347 2.512,348 5.258,349 3.222,350 2.265,351 2.919,353 6.626,354 2.17,355 3.383,356 2.401,357 5.223,358 3.115,359 2.115,360 2.652,362 6.311,363 2.115,364 3.353,365 2.155,366 4.917,367 2.932,368 1.988,369 2.626,371 5.629,372 1.866,373 2.821,374 1.583,375 4.137,376 2.348,377 1.414,378 1.95,380 3.658,381 1.317,382 2.314,383 1.509,384 3.669,385 2.259,386 1.276,387 1.309,389 2.493,390 1.25,391 2.113,392 1,393 3.153,394 2,395 1,396 1.084,398 1.714,399 1,400 1.712,401 0.808,402 3.097,403 1.451,404 0.505,405 0.583,407 1.142,408 0.474,409 1.397,410 0.521,411 2.567,412 1.149,413 0.209,414 0.237,415 0.42,416 0.195,417 1,418 -0.081,419 2.535,420 0.746,421 -0.254,422 -0.299,423 -0.478,424 -0.254,425 0.804,426 -0.179,427 2.359,428 0.533,429 -0.446,430 -0.509,431 -0.893,432 -0.435,433 0.723,434 -0.314,435 2.1,436 0.392,437 -0.515,438 -0.621,439 -1.242,440 -0.467,441 0.353,442 -0.585,443 1.69,444 0.138,445 -0.823,446 -0.934,448 -1.83,449 -0.786,450 0.238,451 -0.939,452 1.627,454 -1,455 -1.194,457 -2.241,458 -1,459 10.433,460 0.474,461 0.541,462 0.025,463 26.75,464 1.216,465 13.5,466 0.614,467 13.25,468 0.602,469 19.263,470 0.876,471 24.967,472 0.543,473 18.029,474 0.82,475 4.82,476 0.219,477 5.725,478 0.26,479 0.204,481 0.335,485 1.109,486 1.243,487 0.997,488 1.079,489 1.185,490 1.029,491 0.446,492 0.98,493 0.816,494 1.074,495 0.447,496 1.008,497 0.827,498 1.172,499 0.912,500 1.128,501 0.767,502 1.043,503 1.298,504 0.929,505 1.084,506 1.019,507 1.356,508 1.037,509 1.093,510 1.191,511 1.138,512 1.248,513 1.109,514 1.216,515 1.3,516 0.96,517 1.082,518 0.987,519 1.329,520 1.02,521 0.468,522 1.247,523 0.862,524 1.2,525 0.473,526 1.1,527 0.879,528 0.923,529 0.951,530 0.883,531 0.865,532 0.912,533 5,534 0.058,535 2.444,536 1.813,537 1.498,538 0.583,539 0.628,540 0.358,541 0.214,542 0.143,543 4283,544 10261,545 1.944,546 52.2,547 16,548 2,550 1,551 5,555 1.65,556 1.784,557 3.127,558 2.689,560 1,564 66.558,565 1.447,566 3.42,567 4.36,568 4.447,569 4.447,570 4.447,571 2.504,572 3.789,573 4.43,574 3.248,575 750.376,576 7.635,577 8299.37,579 1,581 1,582 254.084,583 1.529,584 4.365,585 0.217,586 0.012,587 0.079,588 0.055,589 0.05,590 0.021,591 0.025,592 0.016,593 0.011,594 0.012,595 0.497,597 1,598 1.317,599 100.596,600 -0.151,601 0.062,602 -0.009,603 0.095,604 -0.182,605 0.067,606 0.265,607 0.167,608 0.138,609 0.048,610 0.204,611 0.067,612 0.009,613 -0.098,614 0.05,615 -0.054,616 0.034,617 -0.001,618 -0.09,619 0.088,620 -0.089,621 0.003,622 -0.098,623 -0.04,624 -0.108,625 -0.159,626 -0.17,627 -0.183,628 -0.075,629 -0.185,630 -0.168,631 -0.017,632 -0.099,633 0.008,634 -0.164,635 -0.036,636 0.118,637 -0.315,638 0.066,639 -0.178,640 0.102,641 -0.081,642 0.183,643 -0.009,644 0.043,645 0.003,646 0.145,647 0.007,648 1.481,649 4.367,650 0.545,651 17.438,652 0.991,653 1.138,654 3.273,655 10.713,656 0.632,657 3.178,658 3.466,659 3.689,660 3.912,661 4.111,662 4.094,663 4.127,664 4.19,665 4.143,666 4.06,667 5.338,668 0.588,669 300.45,670 3.178,671 4.691,672 5.517,673 6.382,674 7.232,675 8.102,676 8.961,677 9.833,678 10.696,679 11.568,680 8.7,684 2,690 2,695 3,696 2,700 7,702 12,711 2,715 1,718 46,719 12,720 1,721 23,723 47,724 17,725 10,726 4,727 2,729 2,730 2,734 2,739 5,741 10,742 7,754 1,757 24,758 5,759 5,760 5,764 4,769 1,770 1,776 1,781 2,802 2,806 2,810 22,811 2,815 1,816 5,829 2.2,831 1,836 12.333,837 8.517,838 5.083,839 3.038,840 2.254,841 1.349,842 0.937,843 5.613,844 8.708,845 3.401,846 3.989,847 4.516,848 5.047,849 5.563,850 5.676,851 5.877,852 6.228,853 6.509,854 6.762,855 0.833,856 33,857 8.116,859 3.303,860 7.735,861 15.603,863 12.397,865 2.235,866 49.167,869 1,870 223.651,871 75.292,872 99.365,874 42.683,877 75.292,878 266.334,879 99.365,880 17.65,881 12.673,882 84.747,883 88.026,884 21.79,885 4.227,886 211.88,888 223.651,889 174.658,890 42.683,893 223.651,894 42.683,897 41.27,898 99.817,899 33.571,901 223.651,902 142.049,903 75.292,906 223.651,907 29.642,908 45.65,910 142.049,911 223.651,912 142.049,913 75.292,915 0.565,916 0.331,917 0.184,918 0.105,919 13,920 7,921 0.128,922 6,924 1,925 3.301,926 163.273,928 12,929 88.107,933 16.563,934 7.455,935 4.115,937 142.049,938 5.769,939 8.008,943 5,945 108.478,946 440.992,947 29,956 45.571,957 52.355,958 0.262,959 0.619,960 0.789,961 0.805,962 0.805,963 0.805,964 4.615,965 1,966 5.501,967 2.493,968 4.143,969 4.673,970 0.655,971 6.29,972 4.083,973 5.822,974 0.505,975 7.052,976 1.714,977 3.761,978 4.559,980 7.135,981 3.664,982 7.13,983 0.209,984 8.701,985 1.142,986 5.714,987 6.87,988 0.356,989 10.213,990 5.604,991 8.474,992 -0.254,993 10.405,994 0.42,995 6.111,996 7.512,998 11.829,999 5.967,1000 9.847,1001 -0.446,1002 12.143,1003 -0.478,1004 7.559,1005 9.341,1006 0.18,1007 14.429,1008 7.404,1009 11.24,1010 -0.515,1011 13.903,1012 -0.893,1013 8.323,1014 10.337,1016 16.387,1017 8.138,1018 12.648,1019 -0.823,1020 15.68,1021 -1.242,1022 9.563,1023 11.956,1024 0.087,1025 18.803,1026 9.365,1027 3.051,1028 -1,1029 17.469,1030 -1.83,1031 10.503,1032 13.136,1034 20.923,1035 10.281,1036 2.851,1037 9.902,1038 19.269,1039 -2.241,1040 11.657,1041 14.65,1042 0.041,1043 23.261,1044 11.42,1045 2.265,1046 8.824,1047 21.076,1048 4.098,1049 12.681,1050 15.928,1052 25.461,1053 12.423,1054 2.115,1055 6.626,1056 22.891,1057 3.874,1058 13.799,1059 17.388,1060 0.019,1061 27.764,1062 13.525,1063 1.988,1064 6.311,1065 24.711,1066 2.919,1067 14.863,1068 18.718,1070 30.004,1071 14.571,1072 1.414,1073 5.629,1074 26.536,1075 2.652,1076 15.968,1077 20.149,1078 0.009,1079 32.293,1080 15.66,1081 1.276,1082 3.658,1083 28.364,1084 2.626,1085 17.051,1086 21.509,1088 34.553,1089 16.726,1090 4452,1091 7013,1092 14.622,1093 29.091,1094 33.417,1095 33.865,1096 35.43,1097 33.34,1098 33.348,1099 42.666,1100 1.36,1101 93.437,1102 32.258,1103 5.195,1104 5.29,1105 6.203,1106 5.105,1107 5.051,1108 7.098,1109 1.36,1110 16.847,1111 5.003,1112 13.107,1113 1.453,1114 1.472,1115 1.54,1116 1.45,1117 1.45,1118 1.855,1119 0.059,1120 4.062,1121 1.403,1122 4.018,1123 4.047,1124 3.964,1125 3.952,1126 6.468,1127 3.95,1128 3.832,1129 3.884,1130 3.791,1131 3.676,1132 5.29,1133 3.698,1134 3.591,1135 3.665,1136 3.406,1137 3.462,1138 4.979,1139 3.439,1140 3.482,1141 3.558,1142 3.3,1143 3.336,1144 4.599,1145 3.317,1146 3.209,1147 3.289,1148 3.079,1149 3.003,1150 4.428,1151 3.013,1152 3.02,1153 3.137,1154 2.873,1155 2.836,1156 4.123,1157 2.81,1158 2.99,1159 3.081,1160 2.772,1161 2.711,1162 4.055,1163 2.736,1164 2.855,1165 2.956,1166 2.71,1167 2.574,1168 3.747,1169 2.598,1170 0.192,1171 0.143,1172 0.28,1173 0.175,1174 0.133,1175 4.413,1176 0.178,1177 3.29,1178 0.03,1179 6.438,1180 0.431,1181 4.036,1182 0.131,1183 3.051,1184 4.098,1185 0.68,1186 9.902,1187 3.003,1188 1.984,1189 1.962,1190 2.097,1191 2.074,1192 1.35,1193 2.08,1194 1.765,1195 1.719,1196 1.913,1197 1.952,1198 1.172,1199 1.933,1200 1.624,1201 1.555,1202 1.893,1203 1.801,1204 1.091,1205 1.844,1206 1.495,1207 1.423,1208 1.739,1209 1.685,1210 0.828,1211 1.717,1212 1.16,1213 1.091,1214 1.415,1215 1.429,1216 0.551,1217 1.428,1218 1.03,1219 0.946,1220 1.392,1221 1.31,1222 0.476,1223 1.307,1224 0.924,1225 0.817,1226 1.253,1227 1.25,1228 0.26,1229 1.304,1230 0.801,1231 0.691,1232 1.172,1233 1.124,1234 0.05,1235 1.146,1236 3.85,1238 5.142,1240 6.635,1242 8.229,1244 9.874,1246 4.217,1250 11.445,1251 10.367,1252 4.361,1262 27.068,1263 66.558,1264 157.329,1265 200.574,1266 204.574,1267 204.574,1268 204.574,1269 43.362,1270 6.454,1271 98.05,1272 98.05,1273 12,1274 12.111,1275 3.7,1276 2.807,1277 42.005,1278 69,1279 70,1280 0.301,1281 172.662,1282 293.09,1283 413.056,1284 4385,1286 16.113,1287 0.732,1288 0.603,1289 16.113,1290 13.264,1291 10.545,1292 0.458,1293 0.337,1294 7.686,1295 10.275,1296 7.425,1297 6.293,1298 10.545,1299 7.752,1300 9.185,1301 0.296,1302 0.18,1303 9.185,1304 5.578,1305 7.323,1306 0.188,1307 0.094,1308 7.323,1309 3.677,1310 5.969,1311 0.122,1312 0.054,1313 5.969,1314 2.644,1315 4.737,1316 0.079,1317 0.03,1318 4.737,1319 1.775,1320 0.461,1321 65.289,1322 0.262,1323 21.49,1324 0.859,1325 108,1326 272.064,1327 116.154,1328 274.148,1329 375.61,1330 254,1331 124,1332 281.002,1333 131.654,1334 289.153,1335 418.03,1336 271,1337 5.699}
{0 CHEMBL23787,1 1.823,2 10,3 2.496,4 6.231,5 84.237,6 9.963,7 0.739,8 3.61,9 3.728,10 3.464,11 3.235,12 4.865,13 3.206,14 4.04,15 4.179,16 3.851,17 3.601,18 5.329,19 3.539,20 4.206,21 4.371,22 3.898,23 3.663,24 5.452,25 3.58,26 4.136,27 4.322,28 3.655,29 3.522,30 5.354,31 3.405,32 4.051,33 4.269,34 3.575,35 3.396,36 5.171,37 3.277,38 3.994,39 4.234,40 3.389,41 3.259,42 5.065,43 3.154,44 3.818,45 4.043,46 3.18,47 3.164,48 4.835,49 3.04,50 3.573,51 3.745,52 3.258,53 2.988,54 4.842,55 2.942,56 0.096,57 0.552,58 3.748,59 2.37,60 12.179,61 2.358,62 0.205,63 0.837,64 9.695,65 4.632,66 18.969,67 4.853,68 0.317,69 0.943,70 14.946,71 5.293,72 27.582,73 5.161,74 0.299,75 0.852,76 16.21,77 5.582,78 31.289,79 5.865,80 0.242,81 0.748,82 13.627,83 4.649,84 27.071,85 5.045,86 0.262,87 0.701,88 12.232,89 4.05,90 27.091,91 4.608,92 0.199,93 0.544,94 15.021,95 4.471,96 20.103,97 5.076,98 0.144,99 0.461,100 5.787,101 2.36,102 13.943,103 2.662,104 10,105 32,106 0.337,107 0.695,108 0.797,109 0.843,110 0.843,111 0.843,112 3.102,113 0.966,114 -4.42,115 -4.35,116 -4.1,119 40.6,125 1,139 4,141 2,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 2,169 2,172 3,173 3,178 6,181 3,182 1,184 1,185 1,189 6,192 1,193 1,195 3,196 3,197 1,200 2,205 1,207 2,209 1,210 1,215 1,221 6,226 1,231 1,234 2,246 5,251 3,256 3,260 5,265 2,270 2,273 544,274 14.033,275 14.033,276 14.033,277 14.033,278 14.033,279 11.92,280 13.205,281 8.242,282 14.643,283 11.354,284 11.354,285 11.354,286 11.354,287 11.354,288 8.221,289 12.652,290 3.965,291 12.44,292 3.177,293 1.238,294 0.688,295 0.438,296 0.438,297 0.438,298 3.784,299 1,300 1,301 1,302 1,303 452,304 2.345,307 172.441,311 89.815,314 1.429,315 19.213,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 45.333,327 210,328 4.541,329 4.435,330 6.502,331 4.02,332 3.079,333 4.491,334 3.272,335 10.175,336 2.897,337 4.016,338 3.156,339 5.447,340 3.547,341 2.632,342 3.616,344 7.253,345 2.382,346 3.768,347 2.981,348 5.277,349 3.332,350 2.399,351 3.232,353 6.783,354 2.236,355 3.444,356 2.824,357 5.062,358 2.984,359 2.104,360 2.811,362 5.811,363 1.881,364 3.422,365 2.285,366 4.973,367 2.924,368 2.02,369 2.744,371 5.781,372 1.801,373 3.338,374 2.101,375 4.873,376 2.854,377 1.938,378 2.645,380 5.619,381 1.674,382 2.5,383 1.9,384 3.71,385 2,386 1.009,387 1.5,389 2.565,390 1,391 2.454,392 1.058,393 3.414,394 1.919,395 1,396 1.435,398 2.275,399 0.917,400 1.964,401 1.011,402 3.266,403 1.594,404 0.771,405 0.888,407 1.81,408 0.612,409 1.419,410 1,411 2.742,412 0.963,413 0.087,414 0.111,415 0.211,416 0.073,417 1.068,418 0.246,419 2.57,420 0.602,421 -0.233,422 -0.288,423 -0.526,424 -0.167,425 0.957,426 -0.015,427 2.432,428 0.456,429 -0.448,430 -0.578,431 -1.155,432 -0.404,433 0.59,434 -0.294,435 2.106,436 0.119,437 -0.778,438 -0.936,439 -1.975,440 -0.637,441 0.5,442 -0.493,443 2,444 0.1,445 -0.816,446 -1.11,448 -2.38,449 -0.753,450 0.44,451 -0.735,452 1.691,454 -1,455 -1.405,457 -2.876,458 -0.884,459 10.448,460 0.498,461 0.558,462 0.027,463 31.75,464 1.512,465 17.5,466 0.833,467 14.25,468 0.679,469 13.347,470 0.636,471 21.352,472 0.667,473 19.711,474 0.939,475 5.985,476 0.285,477 4.129,478 0.197,479 0.145,481 0.335,485 0.993,486 1.137,487 0.612,488 0.691,489 1.179,490 0.675,491 0.604,492 0.991,493 0.842,494 0.988,495 0.485,496 0.855,497 1.134,498 1.015,499 1.2,500 1.1,501 0.991,502 1.011,503 0.845,504 1.015,505 1.252,506 1.327,507 0.79,508 1.227,509 0.91,510 0.996,511 0.628,512 0.83,513 1.008,514 1.025,515 1.042,516 0.953,517 0.746,518 0.868,519 1.129,520 0.944,521 1.008,522 0.908,523 1.162,524 1.043,525 0.87,526 0.953,527 0.918,528 1.232,529 0.729,530 0.942,531 0.923,532 0.979,533 5,534 0.124,535 2.222,536 1.063,537 1.44,538 0.41,539 0.221,540 0.311,541 0.164,542 0.107,543 4651,544 16671,545 2.074,546 34.4,548 6,550 1,551 4,555 1.626,556 1.938,557 3.278,558 2.015,560 1,562 1,564 58.331,565 1.823,566 3.762,567 4.313,568 4.563,569 4.563,570 4.563,571 2.72,572 3.88,573 4.364,574 3.401,575 714.26,576 7.447,577 7655.78,578 1,579 1,581 1,582 160,583 1.418,584 4.322,585 0.217,586 0.014,587 0.069,588 0.034,589 0.06,590 0.02,591 0.013,592 0.019,593 0.01,594 0.008,595 0.466,596 0.17,597 1,598 0.61,599 95.864,600 -0.239,601 -0.026,602 -0.003,603 0.125,604 -0.34,605 0.096,606 0.206,607 0.097,608 -0.004,609 -0.004,610 0.241,611 0.012,612 -0.122,613 0.058,614 -0.187,615 -0.081,616 -0.11,617 -0.127,618 0.078,619 0.002,620 -0.223,621 -0.251,622 0.13,623 -0.258,624 -0.077,625 -0.029,626 0.146,627 0.096,628 -0.095,629 -0.048,630 -0.153,631 -0.002,632 0.088,633 0.088,634 -0.227,635 0.071,636 -0.104,637 -0.035,638 -0.065,639 0.032,640 -0.044,641 0.155,642 0.022,643 -0.256,644 0.063,645 -0.126,646 0.058,647 -0.095,648 1.572,649 1.795,650 0.762,651 16.29,652 1.021,653 1.128,654 3.186,655 10.151,656 0.745,657 3.178,658 3.497,659 3.714,660 3.951,661 4.205,662 4.159,663 4.174,664 4.277,665 4.369,666 4.317,667 5.72,668 0.71,669 318.82,670 3.178,671 4.71,672 5.541,673 6.409,674 7.258,675 8.127,676 8.983,677 9.853,678 10.714,679 11.586,680 18.8,684 2,690 4,694 2,695 5,696 4,700 5,702 17,711 2,717 1,718 32,719 17,720 1,721 23,723 34,724 13,725 12,726 2,727 4,729 3,730 4,731 1,741 12,742 1,753 1,754 1,757 11,758 6,759 4,760 8,761 2,764 6,769 0.667,774 1,776 1,781 3,785 1,802 2,803 1,804 1,807 1,810 21,811 2,816 1,819 1,828 1,836 10.833,837 5.693,838 4.556,839 1.633,840 3.298,841 1.484,842 1.022,843 3.992,844 10.109,845 3.481,846 4.143,847 4.734,848 5.334,849 5.941,850 6.131,851 6.427,852 6.799,853 7.204,854 7.214,855 0.857,856 31,857 7.655,859 3.22,860 7.839,861 14.315,863 11.442,865 2.339,866 49.111,870 82.398,871 95.966,872 132.936,873 39.149,876 32.22,877 63.747,878 121.546,879 132.936,881 0.9,882 103.699,883 78.913,884 20.715,885 4.227,886 102.846,887 39.149,888 82.398,889 196.683,891 71.368,893 84.113,897 16.747,898 111.079,899 106.291,900 32.22,901 82.398,902 132.936,903 135.115,906 82.398,907 49.014,908 46.952,910 172.085,911 82.398,912 132.936,913 135.115,915 0.586,916 0.329,917 0.173,918 0.101,919 16,920 7,921 0.088,922 3,923 1,924 1.125,925 3.403,926 157.042,927 0.125,928 16,929 88.239,930 1,933 14.17,934 5.916,935 3.282,936 0.874,937 132.936,938 9.283,939 16.543,943 2.943,945 65.794,946 350.449,947 31.5,956 32.662,957 36.099,958 0.365,959 0.752,960 0.863,961 0.913,962 0.913,963 0.913,964 4.694,965 1,966 5.525,967 2.565,968 4.174,969 4.828,970 3.11,971 6.293,972 3.999,973 5.923,974 0.771,975 7.059,976 2.275,977 3.761,978 4.691,980 7.081,981 3.481,982 7.235,983 0.087,984 8.684,985 1.81,986 5.733,987 7.104,988 5.44,989 10.141,990 5.411,991 8.581,992 -0.233,993 10.361,994 0.211,995 6.066,996 7.744,998 11.738,999 5.651,1000 9.953,1001 -0.448,1002 12.073,1003 -0.526,1004 7.541,1005 9.654,1006 7.807,1007 14.336,1008 7.09,1009 11.345,1010 -0.778,1011 13.81,1012 -1.155,1013 8.245,1014 10.698,1016 16.322,1017 7.717,1018 12.755,1019 -0.816,1020 15.568,1021 -1.975,1022 9.506,1023 12.383,1024 10.177,1025 18.75,1026 8.939,1027 3.079,1028 -1,1029 17.342,1030 -2.38,1031 10.409,1032 13.65,1034 20.923,1035 9.773,1036 2.632,1037 10.175,1038 19.131,1039 -2.876,1040 11.576,1041 15.229,1042 12.548,1043 23.286,1044 10.898,1045 2.399,1046 7.253,1047 20.933,1048 4.491,1049 12.583,1050 16.612,1052 25.541,1053 11.842,1054 2.104,1055 6.783,1056 22.746,1057 3.616,1058 13.713,1059 18.144,1060 14.919,1061 27.878,1062 12.924,1063 2.02,1064 5.811,1065 24.569,1066 3.232,1067 14.774,1068 19.587,1070 30.17,1071 13.925,1072 1.938,1073 5.781,1074 26.399,1075 2.811,1076 15.891,1077 21.098,1078 17.29,1079 32.497,1080 14.99,1081 1.009,1082 5.619,1083 28.237,1084 2.744,1085 16.979,1086 22.57,1088 34.804,1089 16.02,1090 4506,1091 8646,1092 15.315,1093 23.824,1094 34.34,1095 37.729,1096 34.962,1097 34.186,1098 34.079,1099 46.945,1100 6.545,1101 96.565,1102 30.943,1103 5.363,1104 6.435,1105 5.916,1106 5.133,1107 5.079,1108 7.491,1109 6.545,1110 17.069,1111 4.897,1112 9.979,1113 1.493,1114 1.64,1115 1.52,1116 1.486,1117 1.482,1118 2.041,1119 0.285,1120 4.198,1121 1.345,1122 4.029,1123 4.078,1124 4.102,1125 3.905,1126 5.341,1127 3.902,1128 3.878,1129 3.897,1130 3.982,1131 3.814,1132 4.989,1133 3.818,1134 3.5,1135 3.563,1136 3.72,1137 3.371,1138 4.937,1139 3.352,1140 3.102,1141 3.221,1142 3.353,1143 3.002,1144 4.86,1145 2.947,1146 3.081,1147 3.14,1148 3.026,1149 2.78,1150 4.32,1151 2.821,1152 2.854,1153 2.925,1154 2.992,1155 2.735,1156 4.203,1157 2.715,1158 2.801,1159 2.84,1160 2.687,1161 2.663,1162 4.045,1163 2.663,1164 2.577,1165 2.698,1166 2.607,1167 2.324,1168 3.674,1169 2.307,1170 0.197,1171 0.193,1172 0.283,1173 0.175,1174 0.134,1175 4.541,1176 0.195,1177 4.435,1178 0.142,1179 6.502,1180 0.442,1181 4.02,1182 0.126,1183 3.079,1184 4.491,1185 3.272,1186 10.175,1187 2.897,1188 1.921,1189 1.886,1190 1.956,1191 2.104,1192 1.101,1193 2.066,1194 1.861,1195 1.836,1196 1.926,1197 1.921,1198 0.976,1199 1.946,1200 1.434,1201 1.385,1202 1.561,1203 1.642,1204 0.712,1205 1.632,1206 1.017,1207 0.969,1208 1.269,1209 1.378,1210 0.218,1211 1.359,1212 0.978,1213 0.873,1214 1.197,1215 1.23,1216 0.185,1217 1.26,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.042,1223 1.107,1224 0.752,1225 0.705,1226 0.912,1227 0.91,1229 0.939,1230 0.529,1231 0.419,1232 0.875,1233 0.842,1235 0.87,1236 3.85,1238 5.165,1240 6.673,1242 8.274,1244 9.923,1247 5.855,1250 11.32,1252 0.661,1255 1.632,1262 22.723,1263 58.331,1264 120.39,1265 138,1266 146,1267 146,1268 146,1269 26.394,1270 6.811,1271 103.6,1272 128.9,1273 18,1274 12.13,1275 4.17,1276 3.248,1277 32.418,1278 72,1279 73,1280 0.222,1281 150.101,1282 242.28,1283 358.007,1284 7763,1285 3.1,1286 14.82,1287 0.706,1288 0.59,1289 15.673,1290 12.396,1291 10.114,1292 0.44,1293 0.322,1294 6.082,1295 9.002,1296 5.834,1297 4.819,1298 10.857,1299 7.41,1300 9.36,1301 0.293,1302 0.179,1303 10.346,1304 5.728,1305 7.485,1306 0.187,1307 0.1,1308 8.47,1309 3.999,1310 6.123,1311 0.12,1312 0.052,1313 6.918,1314 2.649,1315 5.137,1316 0.078,1317 0.031,1318 6.151,1319 2.038,1320 0.351,1321 70.658,1322 0.256,1323 21.037,1324 0.599,1325 110,1326 342.269,1327 158.015,1328 390.862,1329 526.33,1330 364,1331 127,1332 356.526,1333 165.54,1334 384.711,1335 560.51,1336 361,1337 4.845}
{0 CHEMBL23844,1 1.567,2 10.821,3 2.897,4 8.391,5 111.319,6 7.084,7 0.567,8 4.08,9 4.217,10 3.595,11 3.527,12 5.2,13 3.52,14 4.596,15 4.798,16 3.941,17 3.875,18 5.673,19 3.854,20 4.755,21 4.941,22 4.054,23 4.039,24 5.792,25 4.012,26 4.863,27 5.058,28 4.081,29 4.142,30 5.938,31 4.073,32 5.042,33 5.287,34 3.958,35 4.186,36 5.998,37 4.078,38 5.023,39 5.286,40 3.836,41 4.131,42 5.888,43 3.995,44 4.958,45 5.227,46 3.816,47 4.035,48 5.826,49 3.912,50 4.895,51 5.158,52 3.733,53 3.949,54 5.809,55 3.836,56 0.046,57 0.814,58 12.074,59 4.34,60 12.376,61 6.3,62 0.331,63 1.195,64 22.245,65 7.211,66 33.791,67 10.358,68 0.353,69 1.404,70 25.947,71 8.079,72 29.081,73 11.897,74 0.353,75 1.592,76 28.305,77 9.967,78 40.264,79 14.509,80 0.558,81 1.702,82 35.894,83 10.424,84 56.125,85 16.379,86 0.465,87 1.577,88 35.58,89 11.489,90 47.1,91 17.29,92 0.399,93 1.422,94 33.718,95 10.706,96 43.525,97 16.263,98 0.522,99 1.319,100 32.064,101 9.504,102 51.893,103 14.377,104 45,105 42,106 0.261,107 0.611,108 0.786,109 0.819,110 0.831,111 0.849,112 3.375,113 0.922,114 -3.84,115 -3.8,116 -3.61,119 37,120 3,124 1,125 3,139 3,140 3,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 4,169 2,170 11,172 3,173 3,175 1,178 4,180 1,181 1,182 8,187 1,189 1,191 1,192 3,193 8,195 3,196 3,197 1,198 3,200 2,201 4,204 3,205 1,206 1,207 2,212 1,215 5,218 1,220 2,221 4,223 1,224 1,226 2,229 4,231 2,233 1,234 6,241 4,245 1,246 5,248 1,249 1,251 1,254 4,256 1,259 2,260 3,262 1,263 1,265 1,268 4,270 1,273 1182,274 18.74,275 18.74,276 18.74,277 18.74,278 18.74,279 16.631,280 26.424,281 11.097,282 19.499,283 14.714,284 14.714,285 14.714,286 14.714,287 14.714,288 11.466,289 36.259,290 5.08,291 15.774,292 4.188,293 2.085,294 1.033,295 0.834,296 0.76,297 0.649,298 4.053,301 1,302 1,303 634,304 3.536,307 243.814,311 126.777,314 1.49,315 23.881,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 61,327 303,328 4.656,329 3.369,330 6.838,331 4.192,332 3.22,333 4.616,334 0.916,335 11.244,336 3.135,337 4.34,338 3.246,339 6.478,340 3.97,341 3.023,342 3.957,343 0.86,344 10.074,345 2.861,346 3.912,347 2.814,348 5.816,349 3.511,350 2.556,351 3.413,352 0.86,353 7.942,354 2.44,355 3.601,356 2.72,357 5.278,358 3.237,359 2.316,360 2.907,361 0.172,362 6.728,363 2.124,364 3.455,365 2.451,366 5.125,367 3.025,368 2.104,369 2.861,371 6.057,372 1.934,373 3.402,374 2.15,375 5.057,376 2.924,377 2.007,378 2.717,380 5.823,381 1.837,382 3.154,383 2.038,384 4.961,385 2.824,386 1.895,387 2.295,389 5.494,390 1.751,391 2.704,392 1.69,393 4.253,394 2.3,395 1.349,396 1.775,398 3.549,399 1.28,400 2.406,401 1.549,402 3.848,403 2.101,404 1.201,405 1.379,407 2.749,408 1.069,409 2.278,410 1.373,411 3.314,412 2.007,413 1.038,414 1.267,415 2.164,416 1.003,417 2.091,418 1.12,419 3.107,420 1.924,421 1,422 1.068,423 1.66,424 0.913,425 1.596,426 0.597,427 3.026,428 1.259,429 0.316,430 0.384,431 0.758,432 0.297,433 1.239,434 0.361,435 2.822,436 0.977,437 0.045,438 0.05,439 0.078,440 0.041,441 1.193,442 0.112,443 2.666,444 0.838,445 -0.111,446 -0.137,448 -0.289,449 -0.105,450 0.962,451 -0.224,452 2.448,453 0.522,454 -0.399,455 -0.507,457 -0.801,458 -0.365,459 13.067,460 0.467,461 0.733,462 0.026,463 37.25,464 1.33,465 18.5,466 0.661,467 18.75,468 0.67,469 24.231,470 0.865,471 31.333,472 0.58,473 28.74,474 1.026,475 7.336,476 0.262,477 6.103,478 0.218,479 0.214,481 0.375,485 1.012,486 1.499,487 0.862,488 1.225,489 1.208,490 1.04,491 1.111,492 0.892,493 0.765,494 0.839,495 0.627,496 0.766,497 1.418,498 1.185,499 0.957,500 0.955,501 1.057,502 0.904,503 0.767,504 1.264,505 1.029,506 1.306,507 0.673,508 1.233,509 1.121,510 1.053,511 1.207,512 1.069,513 1.188,514 1.128,515 0.929,516 0.922,517 1.08,518 1.083,519 0.909,520 1.105,521 0.926,522 0.977,523 0.901,524 1.013,525 0.733,526 0.969,527 1.263,528 0.867,529 1.029,530 0.91,531 1.13,532 0.942,533 6,534 0.173,535 3.333,536 2.563,537 2.222,538 1.076,539 0.71,540 0.427,541 0.382,542 0.247,543 8810,544 23172,545 1.993,546 48.1,547 3,548 12,550 1,551 4,553 6,555 1.714,556 1.826,557 3.39,558 1.698,559 1,560 1,564 84.604,565 1.567,566 3.67,567 4.722,568 4.921,569 4.995,570 5.106,571 2.826,572 4.209,573 4.779,574 3.527,575 1333.13,576 8.329,577 17400,579 1,581 1,582 310.764,583 1.531,584 4.714,585 0.2,586 0.008,587 0.079,588 0.055,589 0.048,590 0.028,591 0.021,592 0.013,593 0.012,594 0.009,595 0.473,596 0.17,597 1,598 1.192,599 139.604,600 -0.087,601 -0.212,602 0.045,603 -0.092,604 -0.222,605 -0.009,606 0.06,607 0.215,608 0.215,609 0.189,610 0.265,611 0.218,612 -0.158,613 -0.071,614 0.022,615 0.09,616 -0.106,617 0.081,618 0.121,619 -0.12,620 -0.098,621 -0.239,622 0.178,623 -0.22,624 -0.141,625 -0.011,626 -0.235,627 -0.091,628 -0.223,629 -0.159,630 -0.049,631 0.042,632 -0.115,633 -0.08,634 -0.098,635 -0.104,636 0.016,637 -0.069,638 0.079,639 -0.008,640 0.088,641 0.039,642 -0.096,643 0.044,644 -0.022,645 0.062,646 -0.096,647 0.033,648 1.545,649 2.295,650 0.571,651 24.689,652 1.002,653 1.14,654 2.614,655 6.832,656 0.64,657 3.434,658 3.761,659 4.043,660 4.331,661 4.543,662 4.605,663 4.673,664 4.718,665 4.796,666 4.787,667 6.325,668 0.608,669 382.52,670 3.434,671 4.977,672 5.832,673 6.723,674 7.598,675 8.495,676 9.379,677 10.277,678 11.164,679 12.063,680 11.1,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,716 2,718 54,719 17,720 1,721 30,723 56,724 20,725 13,726 3,727 3,729 3,730 4,734 3,741 13,742 7,754 1,757 26,758 8,759 4,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 4,810 28,811 2,816 3,818 2,821 1,829 3.7,834 2,836 15.333,837 10.883,838 6.333,839 3.299,840 3.426,841 1.464,842 0.965,843 6.294,844 10.802,845 3.676,846 4.317,847 4.942,848 5.563,849 6.131,850 6.416,851 6.731,852 7.059,853 7.423,854 7.546,855 1,856 47,857 10.283,859 4.192,860 7.696,861 19.586,863 15.318,865 2.196,866 61.5,869 1,870 258.964,871 111.769,872 119.275,874 22,877 111.769,878 280.964,879 119.275,880 34.872,881 11.29,882 94.223,883 62.128,884 58.075,885 4.227,886 247.193,888 258.964,889 231.044,890 22,893 190.053,894 92.626,897 48.713,898 130.259,899 50.357,901 258.964,902 141.275,903 111.769,906 258.964,907 39.421,908 75.472,910 138.151,911 258.964,912 141.275,913 111.769,915 0.574,916 0.344,917 0.2,918 0.11,919 19,920 10,921 0.125,922 7,923 1,924 1.125,925 3.793,926 241.709,927 0.125,928 16,929 134.606,933 20.271,934 8.693,935 4.354,936 1.232,937 141.275,938 7.626,939 12.66,943 4.993,945 65.794,946 512.008,947 38.5,956 54.101,957 61.561,958 0.272,959 0.638,960 0.821,961 0.855,962 0.868,963 0.887,964 4.914,965 1.349,966 5.832,967 5.494,968 4.443,969 5.004,970 1.698,971 6.673,972 4.323,973 6.141,974 1.201,975 7.413,976 3.549,977 4.111,978 4.956,979 0.325,980 7.636,981 3.96,982 7.467,983 1.038,984 9.094,985 2.749,986 6.061,987 7.289,988 1.422,989 10.761,990 5.852,991 8.833,992 1,993 10.834,994 2.164,995 6.524,996 8.046,997 0.393,998 12.54,999 6.296,1000 10.23,1001 0.316,1002 12.611,1003 1.66,1004 7.972,1005 9.891,1006 1.2,1007 15.198,1008 7.698,1009 11.65,1010 0.045,1011 14.414,1012 0.758,1013 8.805,1014 11.033,1015 0.384,1016 17.329,1017 8.513,1018 13.088,1019 -0.111,1020 16.236,1021 0.078,1022 10.059,1023 12.682,1024 1.01,1025 19.821,1026 9.731,1027 3.22,1028 -0.399,1029 18.074,1030 -0.289,1031 11.065,1032 14.016,1033 0.351,1034 22.105,1035 10.716,1036 3.023,1037 11.244,1038 19.925,1039 -0.801,1040 12.247,1041 15.583,1042 0.845,1043 24.537,1044 11.867,1045 2.556,1046 10.074,1047 21.785,1048 4.616,1049 13.331,1050 17.013,1051 0.312,1052 26.887,1053 12.927,1054 2.316,1055 7.942,1056 23.654,1057 3.957,1058 14.488,1059 18.547,1060 0.702,1061 29.298,1062 14.055,1063 2.104,1064 6.728,1065 25.53,1066 3.413,1067 15.608,1068 20.023,1069 0.273,1070 31.678,1071 15.15,1072 2.007,1073 6.057,1074 27.412,1075 2.907,1076 16.758,1077 21.547,1078 0.579,1079 34.083,1080 16.273,1081 1.895,1082 5.823,1083 29.298,1084 2.861,1085 17.895,1086 23.046,1087 0.236,1088 36.477,1089 17.384,1090 8768,1091 14381,1092 19.304,1093 34.557,1094 44.392,1095 45.064,1096 47.05,1097 44.147,1098 44.139,1099 57.38,1100 5.618,1101 128.642,1102 41.369,1103 5.507,1104 5.369,1105 6.611,1106 5.267,1107 5.22,1108 7.616,1109 1.776,1110 18.534,1111 5.135,1112 16.748,1113 1.48,1114 1.502,1115 1.568,1116 1.472,1117 1.471,1118 1.913,1119 0.187,1120 4.288,1121 1.379,1122 4.077,1123 4.117,1124 4.052,1125 3.964,1126 5.321,1127 3.98,1128 3.929,1129 3.952,1130 3.886,1131 3.826,1132 4.982,1133 3.836,1134 3.574,1135 3.641,1136 3.496,1137 3.381,1138 4.906,1139 3.402,1140 3.502,1141 3.563,1142 3.338,1143 3.28,1144 4.801,1145 3.279,1146 3.424,1147 3.504,1148 3.234,1149 3.231,1150 4.564,1151 3.214,1152 3.313,1153 3.405,1154 3.144,1155 3.093,1156 4.268,1157 3.097,1158 3.162,1159 3.261,1160 3.049,1161 2.927,1162 4.161,1163 2.938,1164 3.023,1165 3.153,1166 2.816,1167 2.706,1168 4.051,1169 2.724,1170 0.155,1171 0.112,1172 0.228,1173 0.14,1174 0.107,1175 4.656,1176 0.154,1177 3.369,1178 0.031,1179 6.838,1180 0.375,1181 4.192,1182 0.104,1183 3.22,1184 4.616,1185 0.916,1186 11.244,1187 3.135,1188 2,1189 1.969,1190 2.065,1191 2.135,1192 1.244,1193 2.114,1194 1.88,1195 1.86,1196 1.972,1197 2.011,1198 1.092,1199 1.998,1200 1.511,1201 1.447,1202 1.802,1203 1.751,1204 0.939,1205 1.76,1206 1.477,1207 1.408,1208 1.774,1209 1.728,1210 0.919,1211 1.743,1212 1.426,1213 1.348,1214 1.675,1215 1.646,1216 0.793,1217 1.672,1218 1.286,1219 1.196,1220 1.58,1221 1.545,1222 0.564,1223 1.567,1224 1.119,1225 1.029,1226 1.447,1227 1.4,1228 0.535,1229 1.409,1230 0.946,1231 0.827,1232 1.263,1233 1.337,1234 0.187,1235 1.341,1236 4.111,1238 5.434,1240 6.963,1242 8.598,1244 10.289,1246 7.915,1250 11.742,1252 1.794,1254 11.444,1257 2.095,1262 32.826,1263 84.604,1264 198.196,1265 254.989,1266 265.744,1267 269.744,1268 275.744,1269 45.306,1270 7.376,1271 112.41,1272 112.41,1273 18,1274 12.588,1275 4.17,1276 3.248,1277 49.547,1278 107,1279 108,1280 0.23,1281 205.776,1282 347.24,1283 493.854,1284 15374,1286 20.259,1287 0.724,1288 0.596,1289 20.259,1290 16.691,1291 13.439,1292 0.448,1293 0.307,1294 9.055,1295 12.771,1296 8.713,1297 7.307,1298 13.439,1299 9.221,1300 11.981,1301 0.285,1302 0.153,1303 11.981,1304 6.426,1305 9.858,1306 0.176,1307 0.08,1308 9.858,1309 4.495,1310 8.73,1311 0.116,1312 0.042,1313 8.73,1314 3.163,1315 6.723,1316 0.072,1317 0.022,1318 6.723,1319 2.05,1320 0.357,1321 84.958,1322 0.228,1323 26.461,1324 0.643,1325 144,1326 426.676,1327 161.327,1328 409.946,1329 571.13,1330 386,1331 170,1332 434.163,1333 186.859,1334 437.712,1335 642.22,1336 411,1337 5.523}
{0 CHEMBL23846,1 1.572,2 9.435,3 2.282,4 5.207,5 92.433,6 8.036,7 0.808,8 3.78,9 3.904,10 3.412,11 3.329,12 4.981,13 3.337,14 4.238,15 4.383,16 3.782,17 3.722,18 5.432,19 3.706,20 4.436,21 4.62,22 3.803,23 3.812,24 5.505,25 3.774,26 4.503,27 4.699,28 3.737,29 3.763,30 5.652,31 3.698,32 4.496,33 4.739,34 3.401,35 3.649,36 5.498,37 3.539,38 4.319,39 4.588,40 3.278,41 3.52,42 5.182,43 3.401,44 4.127,45 4.346,46 3.383,47 3.427,48 5.164,49 3.371,50 4.089,51 4.293,52 3.369,53 3.346,54 5.223,55 3.318,56 0.067,57 0.61,58 6.898,59 2.893,60 11.046,61 3.527,62 0.218,63 0.938,64 11.822,65 5.194,66 20.659,67 6.526,68 0.135,69 1.104,70 15.641,71 6.128,72 16.523,73 8.118,74 0.385,75 1.122,76 17.732,77 6.659,78 36.46,79 8.958,80 0.406,81 1.062,82 19.794,83 6.428,84 41.804,85 8.541,86 0.184,87 0.856,88 17.394,89 6.347,90 24.345,91 9.075,92 0.145,93 0.738,94 13.059,95 5.065,96 19.115,97 6.839,98 0.16,99 0.731,100 12.143,101 4.148,102 19.904,103 5.414,104 5,105 37,106 0.276,107 0.617,108 0.742,109 0.833,110 0.877,111 0.895,112 3.189,113 0.834,114 -4.31,115 -4.25,116 -4.01,119 44.7,125 1,139 7,140 4,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 10,169 2,170 4,172 3,173 3,175 4,178 11,180 1,182 2,187 5,189 9,191 1,192 1,195 3,196 4,197 1,198 4,200 2,201 7,204 1,205 1,210 2,211 1,212 2,214 1,215 7,218 1,221 2,229 6,234 7,238 1,239 2,240 1,241 4,243 2,246 9,251 3,254 1,256 3,260 7,265 5,270 5,273 635,274 15.792,275 15.792,276 15.792,277 15.792,278 15.792,279 13.279,280 16.037,281 9.264,282 16.025,283 12.853,284 12.853,285 12.853,286 12.853,287 12.853,288 9.099,289 25.266,290 4.379,291 13.241,292 3.676,293 1.737,294 1.031,295 0.513,296 0.263,297 0.158,298 3.89,300 1,301 1,302 1,303 483,304 2.449,306 43.372,307 159.133,310 82.075,311 89.637,314 1.285,315 17.619,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49.5,327 217,328 4.639,329 3.274,330 6.781,331 4.166,332 3.19,333 4.608,334 0.657,335 11.108,336 3.118,337 4.492,338 3.071,339 6.505,340 4.018,341 3.027,342 4.429,344 10.194,345 3,346 3.714,347 2.53,348 5.323,349 3.283,350 2.348,351 3.158,353 6.732,354 2.197,355 3.506,356 2.221,357 5.187,358 3.079,359 2.11,360 2.904,362 6.216,363 2.04,364 3.405,365 2.066,366 5.063,367 2.923,368 1.98,369 2.787,371 5.79,372 1.865,373 3.118,374 1.905,375 4.76,376 2.68,377 1.717,378 2.427,380 4.97,381 1.646,382 3.054,383 1.618,384 4.165,385 2.618,386 1.618,387 2.229,389 3.795,390 1.618,391 2.77,392 1.284,393 3.601,394 2.273,395 1.275,396 1.903,398 2.849,399 1.273,400 2.415,401 1.116,402 3.588,403 1.992,404 1.017,405 1.383,407 2.345,408 0.989,409 2.289,410 0.869,411 3.411,412 1.813,413 0.831,414 1.196,415 2.074,416 0.815,417 1.781,418 0.643,419 3.094,420 1.464,421 0.505,422 0.629,423 1.218,424 0.483,425 1.153,426 -0.006,427 2.684,428 0.759,429 -0.191,430 -0.243,431 -0.499,432 -0.18,433 1.026,434 -0.269,435 2.497,436 0.57,437 -0.379,438 -0.508,439 -0.986,440 -0.358,441 0.882,442 -0.356,443 2.31,444 0.393,445 -0.535,446 -0.658,448 -1.278,449 -0.496,450 0.8,451 -0.618,452 2.11,453 0.382,454 -0.618,455 -0.927,457 -1.478,458 -0.618,459 10.833,460 0.471,461 0.538,462 0.023,463 35,464 1.522,465 19.5,466 0.848,467 15.5,468 0.674,469 13.852,470 0.602,471 23.367,472 0.615,473 23.612,474 1.027,475 7.034,476 0.306,477 4.186,478 0.182,479 0.074,481 0.369,485 1.097,486 1.083,487 0.764,488 0.84,489 1.265,490 0.751,491 0.708,492 0.879,493 0.763,494 0.928,495 0.524,496 0.878,497 0.908,498 1.226,499 0.909,500 1.098,501 0.83,502 1.014,503 0.766,504 1.159,505 1.065,506 1.218,507 0.633,508 1.208,509 1.383,510 0.762,511 1.363,512 0.975,513 1.399,514 1.135,515 0.654,516 0.798,517 0.853,518 0.905,519 0.702,520 0.906,521 0.839,522 0.896,523 0.741,524 0.919,525 0.724,526 0.842,527 1.395,528 1.136,529 0.968,530 0.988,531 1.121,532 0.926,533 4,534 0.087,535 2.667,536 1.91,537 1.165,538 0.406,539 0.34,540 0.254,541 0.219,542 0.128,543 5947,544 16016,545 2.168,546 39.5,548 9,549 1,551 5,555 1.656,556 2.06,557 3.198,558 2.675,559 1,560 1,562 1,564 59.721,565 1.572,566 3.511,567 4.217,568 4.735,569 4.985,570 5.09,571 2.616,572 4.176,573 4.502,574 3.326,575 841.543,576 7.739,577 9488.55,578 1,579 1,581 1,582 199.421,583 1.302,584 4.469,585 0.154,586 0.01,587 0.072,588 0.052,589 0.036,590 0.018,591 0.016,592 0.011,593 0.01,594 0.008,595 0.386,596 0.17,597 1,598 0.503,599 107.041,600 -0.186,601 0.055,602 0.012,603 0.104,604 -0.309,605 0.103,606 0.234,607 0.195,608 0.065,609 0.045,610 0.224,611 0.023,612 -0.078,613 -0.199,614 -0.023,615 -0.129,616 -0.073,617 -0.074,618 0.306,619 -0.17,620 -0.121,621 -0.257,622 0.287,623 -0.267,624 -0.232,625 0.202,626 -0.34,627 -0.024,628 -0.325,629 -0.171,630 0.045,631 0.069,632 0.188,633 0.137,634 0.045,635 0.183,636 0.084,637 0.017,638 0.243,639 0.108,640 0.153,641 0.184,642 -0.178,643 -0.153,644 0.01,645 -0.033,646 -0.057,647 0.012,648 1.557,649 1.943,650 0.826,651 15.505,652 1.007,653 1.126,654 3.08,655 9.487,656 0.692,657 3.296,658 3.638,659 3.951,660 4.263,661 4.431,662 4.466,663 4.543,664 4.654,665 4.727,666 4.718,667 5.58,668 0.67,669 305.37,670 3.296,671 4.844,672 5.714,673 6.608,674 7.489,675 8.387,676 9.272,677 10.171,678 11.058,679 11.957,680 13.2,684 2,685 1,690 2,694 4,695 8,696 2,698 1,700 4,702 21,711 2,712 1,718 38,719 21,720 2,721 26,723 41,724 17,725 16,726 3,727 7,729 4,730 6,741 16,742 1,753 1,754 1,756 1,757 15,758 6,759 5,760 6,764 5,769 0.5,770 1,776 1,780 1,781 3,784 1,785 1,802 2,810 23,811 2,816 1,817 1,829 2.6,834 1,836 11.167,837 6.65,838 4.972,839 2.061,840 4.32,841 1.582,842 1.072,843 3.37,844 11.745,845 3.624,846 4.327,847 5.016,848 5.681,849 6.201,850 6.491,851 6.846,852 7.228,853 7.479,854 7.564,855 1,856 37,857 8.419,859 3.622,860 7.71,861 15.992,863 13.233,865 2.21,866 50.833,870 117.711,871 102.475,872 117.376,874 9.507,877 102.475,878 127.218,879 117.376,881 2.106,882 143.868,883 55.989,884 23.169,885 15.998,886 105.94,888 117.711,889 219.851,890 9.507,893 117.711,894 9.507,897 8.412,898 159.857,899 51.582,901 117.711,902 126.884,903 102.475,906 117.711,907 24.401,908 78.073,909 18.011,910 108.873,911 117.711,912 126.884,913 102.475,915 0.585,916 0.351,917 0.205,918 0.104,919 20,920 8,921 0.073,922 3,923 2,924 1.211,925 3.576,926 190.998,927 0.211,928 19,929 102.042,933 14,934 5.537,935 2.5,936 3.457,937 126.884,938 16.008,939 8.051,941 5.435,943 2.381,945 83.805,946 347.069,947 36.5,956 38.254,957 42.777,958 0.299,959 0.669,960 0.804,961 0.902,962 0.95,963 0.97,964 4.846,965 1.275,966 5.7,967 3.795,968 4.317,969 5.014,970 0.623,971 6.538,972 4.262,973 6.086,974 1.017,975 7.27,976 2.849,977 3.892,978 4.913,980 7.489,981 3.807,982 7.417,983 0.831,984 8.943,985 2.345,986 5.927,987 7.369,988 0.317,989 10.625,990 5.826,991 8.789,992 0.505,993 10.679,994 2.074,995 6.347,996 8.14,998 12.447,999 6.231,1000 10.195,1001 -0.191,1002 12.456,1003 1.218,1004 7.843,1005 10.043,1006 0.149,1007 15.09,1008 7.711,1009 11.627,1010 -0.379,1011 14.262,1012 -0.499,1013 8.663,1014 11.224,1016 17.257,1017 8.52,1018 13.08,1019 -0.535,1020 16.089,1021 -0.986,1022 9.942,1023 12.899,1024 0.067,1025 19.734,1026 9.783,1027 3.19,1028 -0.618,1029 17.933,1030 -1.278,1031 10.944,1032 14.268,1034 22.036,1035 10.773,1036 3.027,1037 11.108,1038 19.79,1039 -1.478,1040 12.138,1041 15.849,1042 0.03,1043 24.454,1044 11.95,1045 2.348,1046 10.194,1047 21.656,1048 4.608,1049 13.221,1050 17.3,1052 26.808,1053 13.018,1054 2.11,1055 6.732,1056 23.529,1057 4.429,1058 14.382,1059 18.842,1060 0.013,1061 29.207,1062 14.162,1063 1.98,1064 6.216,1065 25.409,1066 3.158,1067 15.499,1068 20.329,1070 31.581,1071 15.262,1072 1.717,1073 5.79,1074 27.293,1075 2.904,1076 16.648,1077 21.854,1078 0.006,1079 33.974,1080 16.393,1081 1.618,1082 4.97,1083 29.181,1084 2.787,1085 17.781,1086 23.357,1088 36.358,1089 17.507,1090 5557,1091 9255,1092 17.8,1093 26.29,1094 39.48,1095 39.263,1096 40.339,1097 39.295,1098 39.233,1099 55.308,1100 1.315,1101 114.581,1102 38.089,1103 5.478,1104 5.274,1105 6.47,1106 5.238,1107 5.19,1108 7.608,1109 1.315,1110 17.999,1111 5.118,1112 8.473,1113 1.518,1114 1.51,1115 1.551,1116 1.511,1117 1.509,1118 2.127,1119 0.051,1120 4.407,1121 1.465,1122 4.116,1123 4.14,1124 4.085,1125 4.048,1126 5.363,1127 4.047,1128 4.043,1129 4.063,1130 4.012,1131 3.916,1132 4.985,1133 3.943,1134 3.514,1135 3.578,1136 3.424,1137 3.398,1138 4.95,1139 3.392,1140 3.415,1141 3.473,1142 3.331,1143 3.213,1144 4.903,1145 3.238,1146 3.189,1147 3.254,1148 3.085,1149 2.992,1150 4.368,1151 3.003,1152 3.078,1153 3.197,1154 2.959,1155 2.739,1156 4.152,1157 2.786,1158 2.923,1159 2.989,1160 2.771,1161 2.712,1162 4.083,1163 2.723,1164 2.665,1165 2.724,1166 2.538,1167 2.573,1168 3.754,1169 2.558,1170 0.178,1171 0.126,1172 0.261,1173 0.16,1174 0.123,1175 4.639,1176 0.177,1177 3.274,1178 0.025,1179 6.781,1180 0.427,1181 4.166,1182 0.12,1183 3.19,1184 4.608,1185 0.657,1186 11.108,1187 3.118,1188 2.072,1189 2.052,1190 2.154,1191 2.134,1192 1.292,1193 2.142,1194 1.82,1195 1.788,1196 1.876,1197 1.995,1198 1.065,1199 1.957,1200 1.526,1201 1.482,1202 1.685,1203 1.743,1204 0.711,1205 1.728,1206 1.437,1207 1.401,1208 1.607,1209 1.581,1210 0.621,1211 1.598,1212 1.108,1213 1.061,1214 1.306,1215 1.386,1216 0.35,1217 1.365,1218 0.958,1219 0.893,1220 1.242,1221 1.356,1222 0.178,1223 1.323,1224 0.92,1225 0.819,1226 1.177,1227 1.187,1228 0.061,1229 1.197,1230 0.726,1231 0.643,1232 1.047,1233 1.024,1235 1.048,1236 3.97,1238 5.303,1239 2.398,1240 6.841,1241 4.727,1242 8.477,1243 6.843,1244 10.163,1250 11.526,1252 0.554,1253 3.422,1262 25.456,1263 59.721,1264 133.405,1265 160.26,1266 179.911,1267 189.421,1268 193.421,1269 26.332,1270 7.425,1271 102.99,1272 102.99,1273 23,1274 12.482,1275 4.459,1276 3.524,1277 31.922,1278 79,1279 68,1280 0.203,1281 155.888,1282 249.65,1283 372.126,1284 17517,1286 15.811,1287 0.687,1288 0.534,1289 15.811,1290 12.283,1291 11.22,1292 0.432,1293 0.278,1294 7.129,1295 10.831,1296 7.003,1297 5.803,1298 11.22,1299 7.229,1300 10.205,1301 0.276,1302 0.143,1303 10.205,1304 5.288,1305 8.765,1306 0.172,1307 0.075,1308 8.765,1309 3.814,1310 8.002,1311 0.114,1312 0.039,1313 8.002,1314 2.747,1315 6.113,1316 0.074,1317 0.021,1318 6.113,1319 1.76,1320 0.315,1321 70.078,1322 0.237,1323 22.407,1324 0.562,1325 126,1326 347.983,1327 137.758,1328 345.051,1329 487.38,1330 324,1331 151,1332 378.378,1333 162.647,1334 384.9,1335 566.16,1336 363,1337 4.921}
{0 CHEMBL23867,1 1.443,2 10.16,3 2.787,4 7.767,5 101.112,6 7.684,7 0.786,8 3.878,9 4.015,10 3.473,11 3.446,12 5.049,13 3.434,14 4.345,15 4.516,16 3.843,17 3.838,18 5.49,19 3.802,20 4.562,21 4.748,22 3.932,23 3.982,24 5.618,25 3.932,26 4.67,27 4.881,28 3.863,29 3.967,30 5.778,31 3.881,32 4.737,33 5.011,34 3.584,35 3.871,36 5.686,37 3.748,38 4.54,39 4.818,40 3.432,41 3.723,42 5.439,43 3.583,44 4.363,45 4.617,46 3.421,47 3.638,48 5.298,49 3.533,50 4.3,51 4.539,52 3.43,53 3.599,54 5.298,55 3.501,56 0.05,57 0.699,58 8.297,59 3.289,60 10.697,61 4.401,62 0.183,63 1.082,64 14.342,65 5.919,66 20.748,67 8.045,68 0.096,69 1.3,70 18.334,71 7.052,72 14.189,73 9.819,74 0.245,75 1.408,76 21.392,77 8.082,78 34.132,79 11.361,80 0.332,81 1.378,82 26.124,83 7.779,84 45.603,85 11.48,86 0.254,87 1.098,88 21.65,89 7.756,90 32.788,91 11.301,92 0.144,93 0.952,94 17.32,95 6.277,96 22.959,97 9.064,98 0.116,99 0.913,100 15.738,101 6.013,102 20.448,103 8.615,104 10,105 40,106 0.247,107 0.61,108 0.755,109 0.834,110 0.871,111 0.887,112 3.267,113 0.859,114 -4.71,115 -4.62,116 -4.34,119 44.2,120 1,125 1,139 7,140 5,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 12,169 2,170 4,172 3,173 3,175 4,178 14,180 1,182 3,187 5,189 9,191 1,192 1,193 5,195 3,196 4,197 1,198 8,200 2,201 7,204 3,205 1,212 2,215 7,218 1,221 2,224 2,225 1,226 2,228 1,229 10,231 2,234 3,241 10,246 7,250 1,251 2,253 1,254 7,256 2,260 7,265 3,268 2,270 3,273 821,274 16.999,275 16.999,276 16.999,277 16.999,278 16.999,279 14.303,280 16.894,281 9.907,282 17.288,283 13.81,284 13.81,285 13.81,286 13.81,287 13.81,288 9.815,289 25.313,290 4.667,291 14.289,292 3.983,293 1.869,294 1.021,295 0.564,296 0.343,297 0.25,298 3.967,300 1,301 1,302 1,303 561,304 2.55,307 235.998,311 201.172,314 1.446,315 17.517,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 53,327 254,328 4.655,329 3.315,330 6.835,331 4.186,332 3.213,333 4.616,334 0.657,335 11.231,336 3.131,337 4.493,338 3.078,339 6.506,340 4.02,341 3.03,342 4.43,344 10.196,345 3.002,346 3.907,347 2.732,348 5.801,349 3.501,350 2.544,351 3.411,353 7.86,354 2.435,355 3.515,356 2.279,357 5.203,358 3.098,359 2.134,360 2.909,362 6.253,363 2.059,364 3.451,365 2.134,366 5.094,367 2.968,368 2.028,369 2.86,371 5.894,372 1.9,373 3.373,374 2.041,375 5.006,376 2.895,377 1.965,378 2.701,380 5.785,381 1.817,382 3.118,383 1.638,384 4.263,385 2.618,386 1.618,387 2.427,389 3.818,390 1.618,391 2.771,392 1.618,393 4.153,394 2.327,395 1.371,396 1.904,398 3.541,399 1.308,400 2.708,401 1.285,402 3.602,403 2.27,404 1.274,405 1.779,407 2.851,408 1.267,409 2.421,410 1.146,411 3.443,412 2.007,413 1.04,414 1.392,415 2.387,416 1.003,417 1.962,418 0.787,419 3.195,420 1.62,421 0.657,422 0.838,423 1.546,424 0.632,425 1.415,426 0.283,427 2.829,428 1.019,429 0.074,430 0.095,431 0.182,432 0.07,433 1.194,434 0.105,435 2.792,436 0.837,437 -0.114,438 -0.141,439 -0.298,440 -0.109,441 1.027,442 -0.266,443 2.584,444 0.573,445 -0.38,446 -0.51,448 -0.98,449 -0.358,450 0.882,451 -0.341,452 2.344,453 0.418,454 -0.514,455 -0.645,457 -1.235,458 -0.483,459 11.9,460 0.476,461 0.627,462 0.025,463 38,464 1.52,465 21.5,466 0.86,467 16.5,468 0.66,469 16.646,470 0.666,471 25.3,472 0.588,473 26.45,474 1.058,475 7.523,476 0.301,477 4.608,478 0.184,479 0.109,481 0.378,485 1.146,486 1.125,487 0.803,488 0.855,489 1.283,490 0.796,491 0.569,492 0.871,493 0.738,494 0.884,495 0.479,496 0.843,497 0.985,498 1.242,499 0.917,500 1.08,501 0.821,502 1.006,503 0.751,504 1.202,505 1.105,506 1.303,507 0.629,508 1.261,509 1.553,510 0.88,511 1.269,512 0.928,513 1.419,514 1.036,515 0.722,516 0.741,517 0.959,518 0.926,519 0.842,520 0.966,521 0.899,522 0.865,523 0.917,524 0.894,525 0.94,526 0.905,527 0.692,528 1.011,529 0.882,530 1.033,531 0.742,532 0.992,533 4.5,534 0.103,535 3.111,536 2.188,537 1.644,538 0.618,539 0.365,540 0.321,541 0.25,542 0.192,543 7388,544 18818,545 2.13,546 41.9,547 3,548 9,550 1,551 5,555 1.679,556 2,557 3.292,558 2.568,559 1,560 1,564 62.05,565 1.443,566 3.557,567 4.405,568 4.862,569 5.083,570 5.176,571 2.713,572 4.404,573 4.621,574 3.439,575 1031.7,576 7.979,577 12352.2,579 1,581 1,582 233.329,583 1.388,584 4.579,585 0.161,586 0.006,587 0.078,588 0.051,589 0.044,590 0.023,591 0.015,592 0.013,593 0.01,594 0.009,595 0.41,596 0.17,597 1,598 0.553,599 120.079,600 -0.19,601 0.027,602 0.016,603 0.105,604 -0.299,605 0.091,606 0.328,607 0.214,608 0.129,609 0.099,610 0.266,611 0.089,612 -0.084,613 -0.193,614 -0.027,615 -0.102,616 -0.063,617 -0.065,618 0.235,619 -0.18,620 -0.175,621 -0.341,622 0.25,623 -0.319,624 -0.363,625 0.094,626 -0.238,627 0.006,628 -0.332,629 -0.08,630 0.135,631 0.152,632 0.065,633 0.088,634 0.044,635 0.071,636 -0.065,637 0.063,638 0.07,639 0.119,640 -0.072,641 0.114,642 0.1,643 -0.074,644 0.083,645 -0.016,646 0.097,647 0.023,648 1.529,649 2.017,650 0.8,651 18.794,652 0.998,653 1.127,654 3.476,655 12.083,656 0.688,657 3.367,658 3.714,659 4.025,660 4.317,661 4.533,662 4.564,663 4.625,664 4.736,665 4.844,666 4.852,667 5.963,668 0.658,669 330.43,670 3.367,671 4.92,672 5.79,673 6.683,674 7.565,675 8.461,676 9.346,677 10.244,678 11.13,679 12.028,680 14,684 2,685 1,690 3,694 4,695 8,696 3,700 5,702 22,711 2,712 1,718 43,719 22,720 2,721 28,723 46,724 19,725 17,726 3,727 7,729 4,730 6,734 1,741 17,742 2,753 1,754 1,757 18,758 6,759 5,760 6,764 6,769 0.5,775 1,776 1,781 4,785 2,802 2,806 1,810 25,811 2,816 1,817 1,836 12.5,837 7.933,838 5.417,839 2.393,840 4.564,841 1.602,842 1.056,843 3.864,844 12.146,845 3.689,846 4.394,847 5.077,848 5.729,849 6.321,850 6.609,851 6.964,852 7.347,853 7.745,854 7.79,855 0.857,856 43,857 9.161,859 3.903,860 7.66,861 17.516,863 14.444,865 2.16,866 54,869 1,870 153.024,871 109.101,872 134.162,877 109.101,878 153.024,879 134.162,880 8.825,881 2.106,882 132.128,883 80.138,884 27.61,885 4.227,886 141.253,888 153.024,889 243.263,893 154.74,897 21.877,898 151.303,899 68.367,901 153.024,902 134.162,903 109.101,906 153.024,907 24.895,908 84.206,909 18.011,910 116.151,911 153.024,912 134.162,913 109.101,915 0.587,916 0.356,917 0.203,918 0.106,919 21,920 9,921 0.065,922 3,923 2,924 1.2,925 3.701,926 214.113,927 0.2,928 20,929 112.096,933 15.609,934 6.188,935 2.833,936 3.67,937 134.162,938 16.322,939 12.587,943 3.632,945 83.805,946 396.287,947 39,956 42.912,957 48.481,958 0.266,959 0.656,960 0.812,961 0.896,962 0.937,963 0.954,964 4.916,965 1.371,966 5.784,967 3.818,968 4.394,969 5.081,970 0.623,971 6.627,972 4.33,973 6.162,974 1.274,975 7.362,976 3.541,977 4.007,978 5.007,980 7.591,981 3.922,982 7.496,983 1.04,984 9.043,985 2.851,986 6.014,987 7.437,988 0.317,989 10.726,990 5.9,991 8.87,992 0.657,993 10.785,994 2.387,995 6.447,996 8.2,998 12.531,999 6.323,1000 10.276,1001 0.074,1002 12.566,1003 1.546,1004 7.931,1005 10.099,1006 0.149,1007 15.187,1008 7.781,1009 11.707,1010 -0.114,1011 14.375,1012 0.182,1013 8.753,1014 11.264,1016 17.337,1017 8.595,1018 13.157,1019 -0.38,1020 16.205,1021 -0.298,1022 10.027,1023 12.941,1024 0.067,1025 19.829,1026 9.846,1027 3.213,1028 -0.514,1029 18.05,1030 -0.98,1031 11.03,1032 14.298,1034 22.122,1035 10.836,1036 3.03,1037 11.231,1038 19.907,1039 -1.235,1040 12.222,1041 15.88,1042 0.03,1043 24.553,1044 12.008,1045 2.544,1046 10.196,1047 21.773,1048 4.616,1049 13.305,1050 17.325,1052 26.906,1053 13.074,1054 2.134,1055 7.86,1056 23.647,1057 4.43,1058 14.467,1059 18.867,1060 0.013,1061 29.316,1062 14.215,1063 2.028,1064 6.253,1065 25.527,1066 3.411,1067 15.587,1068 20.351,1070 31.696,1071 15.315,1072 1.965,1073 5.894,1074 27.412,1075 2.909,1076 16.739,1077 21.877,1078 0.006,1079 34.1,1080 16.446,1081 1.618,1082 5.785,1083 29.302,1084 2.86,1085 17.874,1086 23.378,1088 36.493,1089 17.56,1090 6933,1091 11196,1092 18.898,1093 29.603,1094 42.151,1095 42.138,1096 43.343,1097 41.916,1098 41.897,1099 58.725,1100 1.315,1101 123.089,1102 40.487,1103 5.488,1104 5.315,1105 6.524,1106 5.261,1107 5.213,1108 7.616,1109 1.315,1110 18.469,1111 5.131,1112 10.807,1113 1.505,1114 1.505,1115 1.548,1116 1.497,1117 1.496,1118 2.097,1119 0.047,1120 4.396,1121 1.446,1122 4.108,1123 4.14,1124 4.071,1125 4.049,1126 5.321,1127 4.048,1128 4.036,1129 4.068,1130 4.006,1131 3.94,1132 4.982,1133 3.954,1134 3.574,1135 3.641,1136 3.5,1137 3.417,1138 4.912,1139 3.424,1140 3.456,1141 3.507,1142 3.36,1143 3.337,1144 4.802,1145 3.344,1146 3.222,1147 3.31,1148 3.088,1149 3.036,1150 4.372,1151 3.038,1152 3.146,1153 3.24,1154 3.047,1155 2.934,1156 4.211,1157 2.941,1158 3.023,1159 3.152,1160 2.836,1161 2.759,1162 4.052,1163 2.773,1164 2.942,1165 3.01,1166 2.779,1167 2.701,1168 3.978,1169 2.717,1170 0.166,1171 0.118,1172 0.244,1173 0.149,1174 0.115,1175 4.655,1176 0.165,1177 3.315,1178 0.023,1179 6.835,1180 0.401,1181 4.186,1182 0.112,1183 3.213,1184 4.616,1185 0.657,1186 11.231,1187 3.131,1188 2.074,1189 2.054,1190 2.156,1191 2.15,1192 1.297,1193 2.149,1194 1.989,1195 1.958,1196 2.05,1197 2.109,1198 1.21,1199 2.096,1200 1.525,1201 1.473,1202 1.689,1203 1.732,1204 0.775,1205 1.721,1206 1.446,1207 1.394,1208 1.616,1209 1.597,1210 0.669,1211 1.615,1212 1.205,1213 1.122,1214 1.531,1215 1.453,1216 0.559,1217 1.481,1218 1.088,1219 1.018,1220 1.306,1221 1.368,1222 0.347,1223 1.349,1224 0.946,1225 0.849,1226 1.261,1227 1.331,1228 0.164,1229 1.337,1230 0.928,1231 0.825,1232 1.194,1233 1.126,1234 0.061,1235 1.156,1236 4.043,1238 5.38,1240 6.93,1242 8.584,1244 10.289,1246 2,1250 11.663,1252 0.632,1253 3.494,1262 28.289,1263 62.05,1264 152.949,1265 189.413,1266 209.065,1267 218.574,1268 222.574,1269 30.364,1270 7.582,1271 102.74,1272 102.74,1273 24,1274 12.554,1275 4.524,1276 3.585,1277 36.007,1278 91,1279 80,1280 0.196,1281 174.943,1282 283.82,1283 418.621,1284 21356,1286 17.389,1287 0.696,1288 0.553,1289 17.389,1290 13.822,1291 12.131,1292 0.433,1293 0.286,1294 7.935,1295 11.799,1296 7.718,1297 6.429,1298 12.131,1299 8.021,1300 11.065,1301 0.277,1302 0.149,1303 11.065,1304 5.954,1305 9.571,1306 0.174,1307 0.08,1308 9.571,1309 4.393,1310 8.555,1311 0.116,1312 0.042,1313 8.555,1314 3.081,1315 6.651,1316 0.072,1317 0.022,1318 6.651,1319 2.011,1320 0.306,1321 75.088,1322 0.23,1323 24.125,1324 0.54,1325 136,1326 345.893,1327 145.88,1328 351.478,1329 499.07,1330 330,1331 163,1332 387.479,1333 172.659,1334 398.637,1335 584.8,1336 376,1337 6.959}
{0 CHEMBL23911,1 1.695,2 10.696,3 2.595,4 6.735,5 93.838,6 8.186,7 0.68,8 3.8,9 3.922,10 3.491,11 3.371,12 4.988,13 3.335,14 4.266,15 4.431,16 3.845,17 3.74,18 5.422,19 3.674,20 4.387,21 4.537,22 3.938,23 3.876,24 5.491,25 3.796,26 4.516,27 4.702,28 3.865,29 3.88,30 5.643,31 3.748,32 4.594,33 4.864,34 3.601,35 3.767,36 5.536,37 3.603,38 4.341,39 4.602,40 3.535,41 3.584,42 5.265,43 3.432,44 4.159,45 4.373,46 3.287,47 3.477,48 5.119,49 3.328,50 4.101,51 4.347,52 3.237,53 3.312,54 5.089,55 3.208,56 0.055,57 0.637,58 7.865,59 3.46,60 10.728,61 4.17,62 0.252,63 0.971,64 16.759,65 6.485,66 24.62,67 7.554,68 0.144,69 1.119,70 17.765,71 6.969,72 14.392,73 8.11,74 0.256,75 1.232,76 22.19,77 8.341,78 31.951,79 10.145,80 0.355,81 1.198,82 27.965,83 8.294,84 42.616,85 10.766,86 0.217,87 0.938,88 20.452,89 6.5,90 26.323,91 9.018,92 0.168,93 0.791,94 18.805,95 6.356,96 19.55,97 7.527,98 0.125,99 0.717,100 13.993,101 4.859,102 18.944,103 6.849,104 18,105 35,106 0.299,107 0.674,108 0.801,109 0.837,110 0.837,111 0.837,112 3.188,113 0.961,114 -4.41,115 -4.34,116 -4.09,119 40,120 1,124 1,125 1,139 4,140 3,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 5,169 2,170 6,172 3,173 3,175 1,178 8,180 1,182 5,187 1,189 5,191 1,192 1,193 6,195 3,196 3,197 1,198 3,200 2,201 4,204 3,205 1,207 1,212 1,215 4,218 1,221 4,226 3,229 6,231 3,234 3,241 4,246 5,251 3,256 3,259 1,260 6,265 2,270 2,273 714,274 15.455,275 15.455,276 15.455,277 15.455,278 15.455,279 13.322,280 16.774,281 8.953,282 16.053,283 12.239,284 12.239,285 12.239,286 12.239,287 12.239,288 9.013,289 18.982,290 4.158,291 13.126,292 3.627,293 1.509,294 0.788,295 0.588,296 0.588,297 0.588,298 3.868,300 1,301 1,302 1,303 525,304 2.646,307 192.694,311 101.516,314 1.535,315 17.676,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49.5,327 246,328 4.654,329 4.437,330 6.835,331 4.184,332 3.212,333 4.616,334 3.272,335 11.231,336 3.126,337 4.041,338 3.322,339 5.805,340 3.6,341 2.665,342 3.637,343 0.86,344 7.886,345 2.487,346 3.9,347 2.96,348 5.476,349 3.481,350 2.528,351 3.407,353 7.308,354 2.408,355 3.49,356 2.768,357 5.119,358 3.082,359 2.187,360 2.861,362 6.271,363 1.942,364 3.45,365 2.45,366 5.085,367 2.967,368 2.036,369 2.781,371 5.894,372 1.885,373 3.367,374 2.101,375 5.003,376 2.894,377 1.969,378 2.682,380 5.785,381 1.814,382 2.707,383 1.997,384 4.244,385 2.31,386 1.363,387 1.778,389 3.547,390 1.285,391 2.5,392 1.497,393 3.414,394 2,395 1,396 1.5,398 2.275,399 1,400 2.073,401 1.268,402 3.364,403 1.727,404 0.879,405 1.015,407 1.991,408 0.728,409 1.677,410 1,411 2.896,412 1.376,413 0.505,414 0.57,415 0.844,416 0.434,417 1.349,418 0.628,419 2.821,420 0.938,421 0.054,422 0.067,423 0.119,424 0.047,425 1.188,426 0.415,427 2.672,428 0.836,429 -0.116,430 -0.142,431 -0.3,432 -0.11,433 0.935,434 0.107,435 2.517,436 0.493,437 -0.415,438 -0.533,439 -0.962,440 -0.372,441 0.734,442 -0.293,443 2.077,444 0.347,445 -0.557,446 -0.666,448 -1.225,449 -0.494,450 0.5,451 -0.504,452 2,453 0.09,454 -0.823,455 -1.03,457 -2.06,458 -0.747,459 11.167,460 0.486,461 0.592,462 0.026,463 33,464 1.435,465 18,466 0.783,467 15,468 0.652,469 16.567,470 0.72,471 24.233,472 0.606,473 21.945,474 0.954,475 6.385,476 0.278,477 4.695,478 0.204,479 0.161,481 0.358,485 1.038,486 1.147,487 0.758,488 0.869,489 1.243,490 0.836,491 0.916,492 0.767,493 0.932,494 0.879,495 0.573,496 0.762,497 1.115,498 1.243,499 1.124,500 1.131,501 0.926,502 1.039,503 0.727,504 1.241,505 1.261,506 1.39,507 0.696,508 1.332,509 0.99,510 0.873,511 1.168,512 0.988,513 1.254,514 1.002,515 0.644,516 0.929,517 0.822,518 0.933,519 0.866,520 0.927,521 1.006,522 1.095,523 1.494,524 1.365,525 1,526 1.168,527 0.735,528 1.106,529 0.675,530 0.943,531 0.768,532 0.989,533 5,534 0.132,535 2.667,536 1.75,537 1.631,538 0.701,539 0.303,540 0.326,541 0.209,542 0.127,543 5729,544 16837,545 2.041,546 42.5,547 3,548 9,550 1,551 4,555 1.653,556 1.89,557 3.342,558 1.865,559 1,560 1,562 1,564 67.781,565 1.695,566 3.813,567 4.534,568 4.734,569 4.734,570 4.734,571 2.856,572 4.176,573 4.493,574 3.482,575 881.067,576 7.716,577 10031.4,578 1,579 1,581 1,582 212.877,583 1.478,584 4.443,585 0.2,586 0.011,587 0.076,588 0.047,589 0.053,590 0.03,591 0.014,592 0.017,593 0.012,594 0.008,595 0.469,597 1,598 0.832,599 108.264,600 -0.145,601 -0.004,602 0.043,603 0.078,604 -0.271,605 0.065,606 0.146,607 0.306,608 0.1,609 0.19,610 0.259,611 0.198,612 -0.188,613 -0.135,614 -0.105,615 -0.058,616 -0.13,617 -0.093,618 0.105,619 -0.185,620 -0.195,621 -0.311,622 0.172,623 -0.359,624 -0.164,625 0.103,626 -0.091,627 0.016,628 -0.237,629 -0.009,630 0.051,631 -0.003,632 0.195,633 0.078,634 -0.001,635 0.106,636 -0.153,637 -0.109,638 -0.283,639 -0.189,640 -0.167,641 -0.131,642 0.061,643 -0.209,644 0.128,645 -0.073,646 0.103,647 0.005,648 1.526,649 1.974,650 0.696,651 19.093,652 1.005,653 1.128,654 3.181,655 10.116,656 0.692,657 3.258,658 3.584,659 3.85,660 4.094,661 4.304,662 4.344,663 4.331,664 4.419,665 4.511,666 4.5,667 6.006,668 0.654,669 327.45,670 3.258,671 4.796,672 5.645,673 6.524,674 7.388,675 8.272,676 9.143,677 10.03,678 10.906,679 11.795,680 12.5,684 2,690 3,694 2,695 5,696 3,700 6,702 17,711 2,716 1,718 40,719 17,720 1,721 25,723 42,724 16,725 13,726 2,727 4,729 3,730 4,734 1,741 13,742 3,753 1,754 1,757 17,758 6,759 4,760 7,761 1,764 5,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,803 1,804 1,806 2,810 23,811 2,816 1,818 1,819 1,829 2.5,834 1,836 12.167,837 7.767,838 5.111,839 2.081,840 3.333,841 1.476,842 0.999,843 4.55,844 10.333,845 3.541,846 4.205,847 4.828,848 5.434,849 6.013,850 6.272,851 6.552,852 6.915,853 7.296,854 7.384,855 1,856 37,857 8.412,859 3.48,860 7.725,861 15.968,863 12.705,865 2.225,866 51.167,869 1,870 153.024,871 121.461,872 116.151,874 11,876 32.22,877 89.241,878 164.024,879 116.151,880 19.708,881 0.9,882 103.699,883 62.128,884 37.501,885 4.227,886 173.473,888 153.024,889 205.392,890 11,891 32.22,893 154.74,894 11,897 20.671,898 132.649,899 50.357,900 32.22,901 153.024,902 127.151,903 121.461,906 153.024,907 54.8,908 66.661,910 127.151,911 153.024,912 127.151,913 121.461,915 0.583,916 0.347,917 0.185,918 0.098,919 17,920 8,921 0.095,922 4,923 1,924 1.125,925 3.514,926 180.404,927 0.125,928 16,929 100.042,930 1,933 15.841,934 6.605,935 3.332,936 1.303,937 127.151,938 9.78,939 12.514,943 4.648,945 65.794,946 401.636,947 33.5,956 40.214,957 45.112,958 0.318,959 0.716,960 0.852,961 0.89,962 0.89,963 0.89,964 4.764,965 1,966 5.638,967 3.547,968 4.263,969 4.89,970 3.174,971 6.45,972 4.137,973 5.997,974 0.879,975 7.203,976 2.275,977 3.892,978 4.808,980 7.368,981 3.74,982 7.322,983 0.505,984 8.865,985 1.991,986 5.861,987 7.189,988 5.444,989 10.464,990 5.645,991 8.684,992 0.054,993 10.584,994 0.844,995 6.275,996 7.908,998 12.219,999 6.047,1000 10.075,1001 -0.116,1002 12.341,1003 0.119,1004 7.734,1005 9.786,1006 7.807,1007 14.87,1008 7.46,1009 11.488,1010 -0.415,1011 14.127,1012 -0.3,1013 8.525,1014 10.903,1016 17.003,1017 8.246,1018 12.92,1019 -0.557,1020 15.935,1021 -0.962,1022 9.785,1023 12.573,1024 10.177,1025 19.505,1026 9.472,1027 3.212,1028 -0.823,1029 17.761,1030 -1.225,1031 10.765,1032 13.9,1034 21.806,1035 10.443,1036 2.665,1037 11.231,1038 19.603,1039 -2.06,1040 11.949,1041 15.481,1042 12.548,1043 24.254,1044 11.601,1045 2.528,1046 7.886,1047 21.458,1048 4.616,1049 13.02,1050 16.912,1052 26.624,1053 12.659,1054 2.187,1055 7.308,1056 23.325,1057 3.637,1058 14.18,1059 18.457,1060 14.919,1061 29.053,1062 13.796,1063 2.036,1064 6.271,1065 25.201,1066 3.407,1067 15.296,1068 19.939,1070 31.452,1071 14.895,1072 1.969,1073 5.894,1074 27.085,1075 2.861,1076 16.45,1077 21.472,1078 17.29,1079 33.874,1080 16.027,1081 1.363,1082 5.785,1083 28.976,1084 2.781,1085 17.589,1086 22.977,1088 36.284,1089 17.146,1090 5608,1091 9732,1092 16.414,1093 27.699,1094 36.936,1095 40.298,1096 38.524,1097 36.7,1098 36.795,1099 49.827,1100 8.265,1101 106.302,1102 34.315,1103 5.483,1104 6.437,1105 6.389,1106 5.294,1107 5.212,1108 7.616,1109 6.545,1110 18.466,1111 5.126,1112 12.074,1113 1.477,1114 1.612,1115 1.541,1116 1.468,1117 1.472,1118 1.993,1119 0.331,1120 4.252,1121 1.373,1122 4.067,1123 4.105,1124 4.095,1125 3.971,1126 5.321,1127 3.976,1128 3.887,1129 3.905,1130 3.949,1131 3.835,1132 4.981,1133 3.821,1134 3.535,1135 3.597,1136 3.573,1137 3.389,1138 4.863,1139 3.386,1140 3.262,1141 3.321,1142 3.325,1143 3.084,1144 4.8,1145 3.046,1146 3.174,1147 3.269,1148 3.05,1149 2.942,1150 4.365,1151 2.949,1152 3.038,1153 3.153,1154 2.964,1155 2.845,1156 4.182,1157 2.825,1158 3.023,1159 3.117,1160 2.811,1161 2.735,1162 4.022,1163 2.719,1164 2.854,1165 2.925,1166 2.687,1167 2.704,1168 3.689,1169 2.715,1170 0.186,1171 0.177,1172 0.273,1173 0.167,1174 0.128,1175 4.654,1176 0.185,1177 4.437,1178 0.131,1179 6.835,1180 0.449,1181 4.184,1182 0.125,1183 3.212,1184 4.616,1185 3.272,1186 11.231,1187 3.126,1188 1.995,1189 1.967,1190 2.047,1191 2.124,1192 1.23,1193 2.104,1194 1.867,1195 1.85,1196 1.956,1197 1.951,1198 1.063,1199 1.962,1200 1.469,1201 1.417,1202 1.607,1203 1.681,1204 0.735,1205 1.674,1206 1.211,1207 1.148,1208 1.565,1209 1.503,1210 0.571,1211 1.528,1212 1.154,1213 1.066,1214 1.486,1215 1.415,1216 0.558,1217 1.441,1218 0.979,1219 0.907,1220 1.263,1221 1.339,1222 0.218,1223 1.341,1224 0.945,1225 0.826,1226 1.194,1227 1.225,1228 0.183,1229 1.252,1230 0.886,1231 0.821,1232 1.181,1233 1.062,1234 0.033,1235 1.107,1236 3.932,1238 5.252,1240 6.779,1242 8.404,1244 10.081,1246 3.662,1250 11.589,1252 0.783,1254 5.165,1255 1.723,1262 26.17,1263 67.781,1264 152.513,1265 181.367,1266 189.367,1267 189.367,1268 189.367,1269 30.461,1270 7,1271 99.94,1272 125.24,1273 18,1274 12.327,1275 4.17,1276 3.248,1277 37.057,1278 82,1279 94,1280 0.222,1281 167.747,1282 276.76,1283 401.063,1284 9747,1286 16.397,1287 0.713,1288 0.597,1289 16.751,1290 13.723,1291 11.08,1292 0.443,1293 0.32,1294 7.002,1295 10.176,1296 6.658,1297 5.572,1298 11.534,1299 8.008,1300 9.96,1301 0.285,1302 0.174,1303 10.538,1304 6.087,1305 8.429,1306 0.183,1307 0.101,1308 9.106,1309 4.649,1310 7.075,1311 0.12,1312 0.055,1313 7.766,1314 3.253,1315 5.331,1316 0.073,1317 0.03,1318 6.031,1319 2.185,1320 0.35,1321 73.983,1322 0.247,1323 22.698,1324 0.603,1325 120,1326 352.156,1327 153.32,1328 366.355,1329 505.62,1330 344,1331 141,1332 363.391,1333 169.691,1334 384.832,1335 559.61,1336 359,1337 6.284}
{0 CHEMBL23919,1 1.705,2 10.292,3 1.066,4 1.136,5 89.646,6 7.985,7 0.654,8 3.85,9 3.982,10 3.46,11 3.261,12 5.086,13 3.3,14 4.315,15 4.492,16 3.794,17 3.585,18 5.538,19 3.614,20 4.426,21 4.601,22 3.845,23 3.695,24 5.634,25 3.707,26 4.494,27 4.696,28 3.763,29 3.703,30 5.687,31 3.656,32 4.545,33 4.788,34 3.589,35 3.641,36 5.57,37 3.577,38 4.451,39 4.678,40 3.391,41 3.517,42 5.509,43 3.452,44 4.35,45 4.625,46 3.334,47 3.438,48 5.285,49 3.34,50 4.23,51 4.494,52 3.358,53 3.309,54 5.281,55 3.257,56 0.132,57 0.656,58 7.827,59 2.768,60 13.166,61 3.773,62 0.412,63 0.934,64 15.009,65 4.632,66 32.325,67 6.254,68 0.425,69 1.064,70 15.929,71 4.832,72 31.285,73 6.692,74 0.515,75 1.053,76 17.868,77 6.092,78 39.223,79 8.785,80 0.456,81 0.991,82 21.156,83 5.977,84 41.598,85 9.104,86 0.601,87 0.874,88 19.241,89 4.928,90 44.906,91 6.969,92 0.38,93 0.776,94 18.473,95 5.5,96 32.452,97 8.679,98 0.389,99 0.693,100 16.496,101 4.637,102 32.539,103 7.258,104 21,105 36,106 0.3,107 0.666,108 0.778,109 0.807,110 0.807,111 0.807,112 3.228,113 0.82,114 -2.43,115 -2.46,116 -2.41,119 36.6,124 2,125 1,139 3,141 3,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,169 2,170 4,172 3,173 3,175 2,178 3,181 3,184 1,185 2,192 2,193 2,195 3,196 6,197 1,198 1,200 2,205 1,207 2,209 1,210 1,221 2,224 2,225 1,228 1,233 2,234 1,245 2,246 5,250 1,251 2,253 1,256 2,273 754,274 16.221,275 16.221,276 16.221,277 16.221,278 16.221,279 14.188,280 24.663,281 9.465,282 16.925,283 12.726,284 12.726,285 12.726,286 12.726,287 12.726,288 9.489,289 37.223,290 4.384,291 13.689,292 3.652,293 1.57,294 0.933,295 0.769,296 0.769,297 0.769,298 3.91,301 1,302 1,303 523,304 2.828,307 204.722,311 106.654,314 1.542,315 24.251,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 53.5,327 247,328 4.541,329 3.135,330 6.502,331 4.021,332 3.079,333 4.491,334 0.86,335 10.175,336 2.899,337 4.198,338 3.067,339 5.787,340 3.778,341 2.821,342 3.84,343 0.86,344 8.314,345 2.695,346 3.774,347 2.682,348 5.323,349 3.365,350 2.422,351 3.234,352 0.657,353 6.913,354 2.286,355 3.435,356 2.555,357 5.063,358 3.025,359 2.099,360 2.811,362 5.96,363 1.94,364 3.41,365 2.315,366 5.006,367 2.972,368 2.061,369 2.723,371 5.818,372 1.867,373 3.355,374 2.159,375 4.969,376 2.941,377 2.013,378 2.604,380 5.797,381 1.864,382 3.304,383 2.03,384 4.937,385 2.857,386 1.924,387 2.575,389 5.689,390 1.786,391 2.454,392 1.151,393 3.71,394 1.92,395 1.009,396 1.434,398 2.565,399 0.918,400 1.914,401 1.058,402 3.274,403 1.645,404 0.721,405 0.829,407 1.717,408 0.664,409 1.592,410 0.916,411 2.842,412 1.324,413 0.47,414 0.516,415 0.679,416 0.398,417 1.576,418 0.891,419 2.795,420 1.27,421 0.396,422 0.452,423 0.602,424 0.342,425 1.368,426 0.177,427 2.735,428 0.938,429 0.022,430 0.029,431 0.056,432 0.02,433 0.976,434 -0.283,435 2.579,436 0.488,437 -0.432,438 -0.561,439 -1.137,440 -0.395,441 0.792,442 -0.334,443 2.45,444 0.403,445 -0.541,446 -0.673,448 -1.475,449 -0.51,450 0.65,451 -0.339,452 2.144,453 0.24,454 -0.694,455 -0.878,457 -1.599,458 -0.637,459 10.967,460 0.457,461 0.588,462 0.024,463 35.5,464 1.479,465 18.5,466 0.771,467 17,468 0.708,469 15.062,470 0.628,471 26.233,472 0.64,473 25.5,474 1.062,475 7.282,476 0.303,477 4.302,478 0.179,479 0.164,481 0.365,485 1.082,486 1.503,487 0.771,488 1.148,489 1.221,490 0.913,491 1.211,492 0.999,493 0.755,494 0.813,495 0.751,496 0.722,497 1.166,498 1.129,499 1.011,500 1.032,501 1.026,502 0.993,503 0.508,504 1.094,505 0.968,506 1.281,507 0.603,508 1.239,509 1.024,510 1.098,511 1.028,512 1.091,513 0.962,514 1.066,515 1.616,516 0.797,517 1.469,518 0.958,519 1.446,520 1.16,521 0.532,522 0.917,523 0.765,524 0.971,525 0.559,526 0.926,527 0.683,528 0.895,529 0.635,530 0.817,531 0.608,532 0.74,533 6,534 0.136,535 2,536 1.75,537 1.791,538 0.535,539 0.345,540 0.311,541 0.148,542 0.257,543 6422,544 19988,545 2.04,546 41.5,548 11,550 1,551 5,555 1.666,556 1.895,557 3.339,558 2.743,559 1,560 1,562 1,564 69.918,565 1.705,566 3.788,567 4.424,568 4.589,569 4.589,570 4.589,571 2.757,572 4.002,573 4.56,574 3.493,575 964.047,576 7.852,577 11534.3,578 1,579 1,582 219.66,583 1.459,584 4.507,585 0.231,586 0.008,587 0.056,588 0.047,589 0.056,590 0.02,591 0.016,592 0.015,593 0.007,594 0.014,595 0.469,596 0.17,597 1,598 0.921,599 114.967,600 -0.195,601 -0.249,602 0.023,603 -0.085,604 -0.293,605 0.016,606 -0.069,607 0.092,608 0.164,609 0.192,610 0.153,611 0.21,612 -0.15,613 0.027,614 -0.134,615 -0.053,616 -0.142,617 -0.09,618 0.327,619 -0.022,620 -0.067,621 -0.261,622 0.244,623 -0.261,624 -0.118,625 -0.159,626 -0.045,627 -0.097,628 -0.046,629 -0.06,630 -0.4,631 0.167,632 -0.474,633 -0.027,634 -0.451,635 -0.238,636 0.197,637 -0.048,638 0.247,639 0.059,640 0.198,641 0.152,642 0.219,643 -0.034,644 0.4,645 0.19,646 0.309,647 0.311,648 1.594,649 1.822,650 0.667,651 19.486,652 1.019,653 1.146,654 1.196,655 1.43,656 0.653,657 3.296,658 3.611,659 3.85,660 4.111,661 4.344,662 4.331,663 4.369,664 4.394,665 4.511,666 4.554,667 6.171,668 0.639,669 327.39,670 3.296,671 4.828,672 5.666,673 6.541,674 7.396,675 8.273,676 9.133,677 10.01,678 10.873,679 11.75,680 17.1,684 2,685 1,690 4,694 2,695 4,696 4,700 6,702 17,711 2,712 1,716 2,718 41,719 17,720 1,721 26,723 43,724 15,725 12,726 3,727 3,729 3,730 4,741 12,742 3,753 1,754 1,757 17,758 9,759 5,760 9,764 7,769 0.667,770 2,774 1,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 1,817 1,818 2,829 4.9,834 2,836 12.667,837 7.883,838 5.389,839 2.021,840 3.36,841 1.474,842 0.984,843 4.712,844 10.455,845 3.57,846 4.22,847 4.822,848 5.437,849 6.017,850 6.244,851 6.538,852 6.841,853 7.258,854 7.34,855 0.857,856 37,857 8.749,859 3.601,860 7.847,861 16.267,863 12.57,865 2.347,866 56.333,870 141.253,871 85.435,872 150.947,874 22,877 85.435,878 163.253,879 150.947,880 21.766,881 2.106,882 94.223,883 96.924,884 50.907,885 4.227,886 129.482,888 141.253,889 236.382,890 22,893 142.969,894 22,897 17.953,898 131.561,899 85.153,901 141.253,902 172.947,903 85.435,906 141.253,907 26.193,908 59.242,909 18.011,910 154.936,911 141.253,912 172.947,913 85.435,915 0.576,916 0.339,917 0.186,918 0.107,919 17,920 8,921 0.116,922 5,923 1,924 1.125,925 3.609,926 189.487,927 0.125,928 16,929 102.039,933 16.33,934 6.925,935 3.704,936 0.79,937 172.947,938 7.117,939 16.538,943 3.168,945 83.805,946 399.635,947 34.5,956 41.785,957 46.983,958 0.318,959 0.707,960 0.826,961 0.857,962 0.857,963 0.857,964 4.79,965 1.009,966 5.652,967 5.689,968 4.29,969 4.905,970 1.573,971 6.438,972 4.155,973 6.015,974 0.721,975 7.195,976 2.565,977 3.892,978 4.808,980 7.248,981 3.711,982 7.332,983 0.47,984 8.828,985 1.717,986 5.866,987 7.183,988 1.27,989 10.311,990 5.618,991 8.683,992 0.396,993 10.511,994 0.679,995 6.217,996 7.852,998 11.897,999 5.917,1000 10.06,1001 0.022,1002 12.226,1003 0.602,1004 7.684,1005 9.735,1006 1.022,1007 14.494,1008 7.331,1009 11.456,1010 -0.432,1011 13.963,1012 0.056,1013 8.404,1014 10.797,1016 16.459,1017 7.996,1018 12.868,1019 -0.541,1020 15.719,1021 -1.137,1022 9.658,1023 12.464,1024 0.818,1025 18.88,1026 9.201,1027 3.079,1028 -0.694,1029 17.49,1030 -1.475,1031 10.572,1032 13.738,1034 21.032,1035 10.057,1036 2.821,1037 10.175,1038 19.275,1039 -1.599,1040 11.734,1041 15.305,1042 0.65,1043 23.384,1044 11.169,1045 2.422,1046 8.314,1047 21.071,1048 4.491,1049 12.746,1050 16.689,1052 25.623,1053 12.121,1054 2.099,1055 6.913,1056 22.877,1057 3.84,1058 13.871,1059 18.212,1060 0.511,1061 27.949,1062 13.194,1063 2.061,1064 5.96,1065 24.692,1066 3.234,1067 14.932,1068 19.652,1070 30.229,1071 14.193,1072 2.013,1073 5.818,1074 26.515,1075 2.811,1076 16.044,1077 21.156,1078 0.399,1079 32.547,1080 15.25,1081 1.924,1082 5.797,1083 28.345,1084 2.723,1085 17.129,1086 22.624,1088 34.846,1089 16.274,1090 6298,1091 11247,1092 17.107,1093 26.756,1094 37.996,1095 39.08,1096 39.492,1097 37.954,1098 38.076,1099 51.075,1100 4.755,1101 108.568,1102 35.359,1103 5.371,1104 5.135,1105 6.055,1106 5.102,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.899,1112 12.698,1113 1.461,1114 1.503,1115 1.519,1116 1.46,1117 1.464,1118 1.964,1119 0.183,1120 4.176,1121 1.36,1122 4.036,1123 4.087,1124 4.018,1125 3.875,1126 5.342,1127 3.902,1128 3.913,1129 3.936,1130 3.87,1131 3.8,1132 4.99,1133 3.817,1134 3.526,1135 3.595,1136 3.456,1137 3.33,1138 4.934,1139 3.352,1140 3.303,1141 3.355,1142 3.144,1143 3.006,1144 4.859,1145 3.026,1146 3.239,1147 3.319,1148 3.113,1149 2.965,1150 4.58,1151 2.988,1152 3.101,1153 3.22,1154 2.992,1155 2.811,1156 4.346,1157 2.824,1158 3.071,1159 3.172,1160 2.867,1161 2.777,1162 4.178,1163 2.808,1164 2.762,1165 2.845,1166 2.621,1167 2.592,1168 4.045,1169 2.591,1170 0.175,1171 0.121,1172 0.25,1173 0.155,1174 0.118,1175 4.541,1176 0.173,1177 3.135,1178 0.033,1179 6.502,1180 0.391,1181 4.021,1182 0.112,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.899,1188 1.926,1189 1.887,1190 1.994,1191 2.114,1192 1.099,1193 2.076,1194 1.863,1195 1.838,1196 1.928,1197 1.996,1198 0.977,1199 1.982,1200 1.454,1201 1.393,1202 1.626,1203 1.694,1204 0.716,1205 1.678,1206 1.227,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.171,1213 1.092,1214 1.529,1215 1.48,1216 0.557,1217 1.492,1218 1.028,1219 0.929,1220 1.292,1221 1.379,1222 0.207,1223 1.363,1224 0.979,1225 0.872,1226 1.255,1227 1.325,1228 0.09,1229 1.327,1230 0.745,1231 0.675,1232 1.017,1233 0.98,1234 0.084,1235 0.994,1236 3.97,1238 5.283,1240 6.795,1242 8.401,1244 10.059,1246 3.198,1250 11.368,1252 0.434,1253 3.237,1254 10.482,1262 26.213,1263 69.918,1264 155.295,1265 181.395,1266 188.15,1267 188.15,1268 188.15,1269 32.098,1270 7.095,1271 134.09,1272 134.09,1273 18,1274 12.291,1275 4.17,1276 3.248,1277 39.431,1278 91,1279 76,1280 0.216,1281 164.609,1282 271.74,1283 393.405,1284 11138,1286 17.104,1287 0.713,1288 0.553,1289 17.104,1290 13.277,1291 11.584,1292 0.446,1293 0.273,1294 6.919,1295 10.876,1296 6.728,1297 5.634,1298 11.584,1299 7.103,1300 10.356,1301 0.288,1302 0.138,1303 10.356,1304 4.955,1305 8.505,1306 0.185,1307 0.072,1308 8.505,1309 3.326,1310 7.11,1311 0.118,1312 0.036,1313 7.11,1314 2.17,1315 5.894,1316 0.078,1317 0.019,1318 5.894,1319 1.47,1320 0.342,1321 74.445,1322 0.242,1323 23.527,1324 0.583,1325 124,1326 419.009,1327 141.691,1328 400.749,1329 550.14,1330 376,1331 144,1332 410.387,1333 161.305,1334 416.266,1335 602.41,1336 387,1337 6.056}
{0 CHEMBL23963,1 1.84,2 10.444,3 2.804,4 7.865,5 97.099,6 8.6,7 0.586,8 3.92,9 4.047,10 3.572,11 3.363,12 5.193,13 3.405,14 4.435,15 4.603,16 4.03,17 3.726,18 6.144,19 3.763,20 4.548,21 4.707,22 4.039,23 3.88,24 5.857,25 3.897,26 4.744,27 4.946,28 4.03,29 3.898,30 6.067,31 3.884,32 4.806,33 5.057,34 3.938,35 3.816,36 6.148,37 3.782,38 4.634,39 4.877,40 3.684,41 3.697,42 5.87,43 3.646,44 4.597,45 4.859,46 3.547,47 3.589,48 5.846,49 3.55,50 4.35,51 4.581,52 3.656,53 3.479,54 5.611,55 3.474,56 0.237,57 0.896,58 7.072,59 3.45,60 34.414,61 3.945,62 1,63 1.651,64 15.995,65 6.11,66 151.8,67 7.058,68 0.507,69 1.548,70 15.076,71 6.545,72 42.902,73 7.896,74 0.846,75 1.619,76 21.993,77 8.357,78 105.159,79 10.129,80 1.309,81 1.422,82 28.054,83 7.026,84 116.257,85 10.371,86 0.881,87 1.351,88 23.249,89 7.561,90 109.76,91 9.313,92 1.09,93 1.227,94 25.581,95 7.126,96 158.685,97 8.288,98 0.534,99 1.086,100 17.109,101 5.853,102 59.725,103 7.801,104 54,105 43,106 0.319,107 0.692,108 0.832,109 0.867,110 0.867,111 0.867,112 3.34,113 0.813,114 -4.25,115 -4.19,116 -3.96,119 38.6,120 1,124 1,125 1,131 1,139 3,140 4,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 5,169 2,170 6,172 3,173 3,175 4,178 6,180 1,182 4,187 3,189 1,191 1,192 1,193 6,195 3,196 5,197 1,198 6,200 2,201 2,204 3,205 1,212 1,215 3,218 1,221 3,224 2,225 1,226 2,228 1,229 6,231 2,234 2,241 3,245 1,246 7,250 1,251 2,253 1,254 2,256 2,260 2,265 1,270 1,273 1018,274 17.375,275 17.375,276 17.375,277 17.375,278 17.375,279 15.308,280 25.662,281 9.821,282 18.097,283 14.23,284 14.23,285 14.23,286 14.23,287 14.23,288 10.974,289 39.048,290 4.588,291 15.383,292 3.619,293 1.469,294 0.66,295 0.461,296 0.461,297 0.461,298 4.013,300 1,301 1,302 1,303 590,304 3.674,307 235.078,311 123.317,314 1.613,315 47.296,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 62.5,327 282,328 4.654,329 4.461,330 7.122,331 4.199,332 3.331,333 4.616,334 3.825,335 11.729,336 3.13,337 4.483,338 3.314,339 6.835,340 4.183,341 3.212,342 3.97,343 0.86,344 11.231,345 2.932,346 3.944,347 2.946,348 5.807,349 3.581,350 2.649,351 3.412,352 0.657,353 7.936,354 2.458,355 3.88,356 2.741,357 5.607,358 3.471,359 2.522,360 3.191,362 7.703,363 2.351,364 3.456,365 2.409,366 5.099,367 3.038,368 2.109,369 2.861,371 6.002,372 1.952,373 3.412,374 2.18,375 5.022,376 2.95,377 2.021,378 2.723,380 5.851,381 1.876,382 3.326,383 2.048,384 4.972,385 2.888,386 1.958,387 2.59,389 5.762,390 1.813,391 2.784,392 1.835,393 4.485,394 2.374,395 1.458,396 1.864,398 4.329,399 1.312,400 2.704,401 1.611,402 4.242,403 2.3,404 1.349,405 1.775,407 3.537,408 1.266,409 2.002,410 1.034,411 3.35,412 1.718,413 0.78,414 0.922,415 1.862,416 0.729,417 1.584,418 0.935,419 2.865,420 1.295,421 0.432,422 0.483,423 0.639,424 0.369,425 1.385,426 0.51,427 2.853,428 0.996,429 0.059,430 0.074,431 0.149,432 0.055,433 1.189,434 0.51,435 2.819,436 0.836,437 -0.116,438 -0.143,439 -0.303,440 -0.111,441 0.935,442 0.295,443 2.775,444 0.49,445 -0.434,446 -0.56,448 -1.144,449 -0.398,450 0.734,451 0.104,452 2.596,453 0.34,454 -0.613,455 -0.759,457 -1.597,458 -0.581,459 12.09,460 0.448,461 0.987,462 0.037,463 36.25,464 1.343,465 18,466 0.667,467 18.25,468 0.676,469 20.842,470 0.772,471 30.51,472 0.693,473 30.268,474 1.121,475 7.465,476 0.276,477 5.219,478 0.193,479 0.22,480 0.041,481 0.372,482 3,485 0.731,486 1.083,487 0.679,488 1.052,489 0.719,490 0.881,491 0.546,492 0.676,493 0.583,494 0.784,495 0.362,496 0.73,497 0.753,498 1.14,499 0.839,500 1.212,501 0.576,502 1.1,503 0.855,504 1.121,505 1.035,506 1.316,507 0.889,508 1.286,509 0.647,510 0.714,511 0.975,512 0.854,513 0.617,514 0.981,515 1.016,516 0.962,517 1.149,518 1.071,519 1.023,520 1.146,521 1.472,522 1.003,523 1.303,524 0.813,525 1.6,526 0.926,527 0.665,528 0.997,529 0.602,530 1.032,531 0.599,532 0.867,533 8,534 0.26,535 3.333,536 2.688,537 2.36,538 1.111,539 0.386,540 0.49,541 0.341,542 0.306,543 8257,544 31865,545 1.963,546 38.6,547 3,548 8,550 1,551 5,555 1.7,556 1.77,557 3.327,558 2.621,559 1,560 1,564 80.977,565 1.84,566 3.991,567 4.8,568 4.999,569 4.999,570 4.999,571 2.756,572 4.357,573 4.732,574 3.527,575 1237.95,576 8.208,577 15924.1,579 1,581 1,582 240.215,583 1.74,584 4.637,585 0.276,586 0.012,587 0.078,588 0.06,589 0.058,590 0.032,591 0.014,592 0.02,593 0.012,594 0.011,595 0.571,597 1,598 0.959,599 133.692,600 -0.121,601 -0.096,602 -0.006,603 0.009,604 -0.168,605 0.056,606 0.364,607 0.363,608 0.265,609 0.251,610 0.483,611 0.22,612 -0.109,613 -0.214,614 -0.09,615 -0.175,616 -0.019,617 -0.135,618 -0.034,619 -0.154,620 -0.152,621 -0.309,622 -0.071,623 -0.304,624 0.153,625 0.049,626 0.012,627 0.035,628 0.084,629 -0.007,630 -0.124,631 -0.043,632 -0.161,633 -0.079,634 -0.117,635 -0.122,636 -0.299,637 0.081,638 -0.205,639 0.195,640 -0.317,641 0.098,642 0.085,643 -0.204,644 0.361,645 -0.017,646 0.094,647 0.205,648 5.725,649 5.032,650 0.593,651 22.263,652 1.038,653 1.162,654 3.019,655 9.114,656 0.651,657 3.401,658 3.784,659 4.007,660 4.263,661 4.5,662 4.533,663 4.564,664 4.605,665 4.673,666 4.754,667 6.373,668 0.652,669 378.4,670 3.401,671 4.977,672 5.826,673 6.73,674 7.599,675 8.501,676 9.378,677 10.278,678 11.159,679 12.058,680 13.6,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 1,718 44,719 17,720 1,721 29,723 46,724 17,725 13,726 3,727 3,729 3,730 4,734 2,738 1,741 13,742 4,753 1,754 1,755 3,757 17,758 10,759 5,760 10,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 2,808 3,810 27,811 2,816 1,817 1,818 1,822 1,828 3,829 2.3,834 1,836 15.25,837 8.445,838 5.778,839 2.257,840 3.403,841 1.464,842 0.996,843 5.092,844 10.734,845 3.651,846 4.331,847 4.931,848 5.545,849 6.12,850 6.392,851 6.692,852 6.984,853 7.355,854 7.519,855 0.857,856 45,857 10.38,859 4.867,860 8.343,861 17.885,863 14.273,865 2.843,866 76.75,869 1,870 141.253,871 93.122,872 134.162,874 11,875 44.88,877 93.122,878 152.253,879 179.042,880 19.708,881 2.106,882 94.223,883 80.138,884 86.773,885 4.227,886 129.482,887 7.76,888 141.253,889 227.284,890 55.88,893 142.969,894 55.88,897 29.637,898 127.564,899 68.367,901 186.134,902 145.162,903 93.122,906 149.013,907 28.178,908 57.184,909 18.011,910 172.031,911 141.253,912 190.042,913 93.122,915 0.601,916 0.343,917 0.179,918 0.102,919 21,920 11,921 0.087,922 4,923 1,924 1.125,925 3.696,926 229.874,927 0.125,928 16,929 123.627,933 19.147,934 7.18,935 4.047,936 0.923,937 190.042,938 5.013,939 12.168,943 1.296,945 83.805,946 424.417,947 37.5,956 45.661,957 51.125,958 0.337,959 0.731,960 0.879,961 0.916,962 0.916,963 0.916,964 4.922,965 1.458,966 5.883,967 5.762,968 4.466,969 5.017,970 3.143,971 6.758,972 4.325,973 6.189,974 1.349,975 7.497,976 4.329,977 4.369,978 5.075,979 3.903,980 7.947,981 4.097,982 7.543,983 0.78,984 9.217,985 3.537,986 6.18,987 7.324,988 5.427,989 10.968,990 5.904,991 8.93,992 0.432,993 10.997,994 1.862,995 6.815,996 8.112,997 6.69,998 12.921,999 6.408,1000 10.343,1001 0.059,1002 12.818,1003 0.639,1004 8.203,1005 9.926,1006 8.058,1007 15.553,1008 7.777,1009 11.776,1010 -0.116,1011 14.667,1012 0.149,1013 9.151,1014 11.072,1015 9.388,1016 17.809,1017 8.613,1018 13.224,1019 -0.434,1020 16.536,1021 -0.303,1022 10.397,1023 12.708,1024 10.734,1025 20.316,1026 9.819,1027 3.331,1028 -0.613,1029 18.423,1030 -1.144,1031 11.48,1032 14.04,1033 12.074,1034 22.689,1035 10.809,1036 3.212,1037 11.729,1038 20.322,1039 -1.597,1040 12.679,1041 15.601,1042 13.416,1043 25.155,1044 11.954,1045 2.649,1046 11.231,1047 22.232,1048 4.616,1049 13.82,1050 17.028,1051 14.758,1052 27.573,1053 13.015,1054 2.522,1055 7.936,1056 24.15,1057 3.97,1058 15.007,1059 18.559,1060 16.1,1061 30.026,1062 14.14,1063 2.109,1064 7.703,1065 26.074,1066 3.412,1067 16.173,1068 20.033,1069 17.441,1070 32.461,1071 15.233,1072 2.021,1073 6.002,1074 28.004,1075 3.191,1076 17.357,1077 21.554,1078 18.783,1079 34.91,1080 16.353,1081 1.958,1082 5.851,1083 29.938,1084 2.861,1085 18.535,1086 23.052,1087 20.124,1088 37.353,1089 17.462,1090 8190,1091 16256,1092 18.205,1093 28.631,1094 44.194,1095 44.202,1096 45.772,1097 43.89,1098 43.759,1099 56.962,1100 10.685,1101 133.457,1102 40.485,1103 5.492,1104 6.461,1105 6.657,1106 5.274,1107 5.331,1108 7.616,1109 5.335,1110 18.966,1111 5.13,1112 17.719,1113 1.524,1114 1.524,1115 1.578,1116 1.513,1117 1.509,1118 1.964,1119 0.368,1120 4.602,1121 1.396,1122 4.074,1123 4.114,1124 4.05,1125 3.962,1126 8.513,1127 3.978,1128 3.94,1129 3.965,1130 3.91,1131 3.845,1132 7.999,1133 3.854,1134 3.557,1135 3.625,1136 3.495,1137 3.364,1138 7.999,1139 3.388,1140 3.371,1141 3.416,1142 3.369,1143 3.065,1144 5.321,1145 3.116,1146 3.272,1147 3.35,1148 3.13,1149 3.014,1150 4.982,1151 3.028,1152 3.165,1153 3.259,1154 3.049,1155 2.921,1156 4.856,1157 2.937,1158 3.046,1159 3.153,1160 2.891,1161 2.766,1162 4.797,1163 2.783,1164 3.023,1165 3.138,1166 2.8,1167 2.702,1168 4.403,1169 2.718,1170 0.16,1171 0.154,1172 0.246,1173 0.145,1174 0.115,1175 4.654,1176 0.159,1177 4.461,1178 0.132,1179 7.122,1180 0.404,1181 4.199,1182 0.108,1183 3.331,1184 4.616,1185 3.825,1186 11.729,1187 3.13,1188 1.998,1189 1.968,1190 2.063,1191 2.133,1192 1.23,1193 2.112,1194 1.893,1195 1.872,1196 1.97,1197 2.012,1198 1.096,1199 1.997,1200 1.483,1201 1.422,1202 1.633,1203 1.716,1204 0.741,1205 1.699,1206 1.221,1207 1.16,1208 1.572,1209 1.55,1210 0.575,1211 1.547,1212 1.205,1213 1.128,1214 1.526,1215 1.497,1216 0.558,1217 1.491,1218 1.088,1219 1.015,1220 1.285,1221 1.394,1222 0.258,1223 1.363,1224 0.95,1225 0.867,1226 1.258,1227 1.338,1228 0.172,1229 1.34,1230 0.945,1231 0.826,1232 1.135,1233 1.271,1234 0.085,1235 1.236,1236 4.078,1238 5.442,1240 6.995,1242 8.637,1244 10.329,1246 3.12,1248 39.095,1250 11.472,1252 0.225,1253 2.958,1254 4.954,1258 -4.475,1262 28.681,1263 80.977,1264 175.586,1265 211.195,1266 219.95,1267 219.95,1268 219.95,1269 61.797,1270 7.331,1271 111.97,1272 111.97,1273 18,1274 12.584,1275 4.17,1276 3.248,1277 47.052,1278 106,1279 93,1280 0.222,1281 176.597,1282 304.76,1283 422.658,1284 14651,1285 6.8,1286 19.767,1287 0.732,1288 0.539,1289 17.267,1290 14.555,1291 12.685,1292 0.437,1293 0.271,1294 7.658,1295 11.898,1296 7.475,1297 6.196,1298 11.474,1299 7.861,1300 12.576,1301 0.292,1302 0.137,1303 10.618,1304 5.876,1305 9.59,1306 0.178,1307 0.076,1308 8.601,1309 4.087,1310 7.988,1311 0.114,1312 0.038,1313 7.614,1314 2.691,1315 6.421,1316 0.072,1317 0.02,1318 5.659,1319 1.749,1320 0.349,1321 81.777,1322 0.234,1323 25.758,1324 0.61,1325 144,1326 635.962,1327 173.776,1328 534.242,1329 700.11,1330 494,1331 169,1332 497.024,1333 191.626,1334 486.639,1335 728.37,1336 453,1337 7.77}
{0 CHEMBL23977,1 1.736,2 14.781,3 1.758,4 3.092,5 115.182,6 8.292,7 0.5,8 4.089,9 4.196,10 3.699,11 3.56,12 5.402,13 3.588,14 4.552,15 4.689,16 4.069,17 3.934,18 5.995,19 3.933,20 4.852,21 5.032,22 4.117,23 4.07,24 6.121,25 4.051,26 4.92,27 5.115,28 4.052,29 4.03,30 6.221,31 4.002,32 4.877,33 5.078,34 4.01,35 3.963,36 6.285,37 3.933,38 4.772,39 4.963,40 3.95,41 3.899,42 6.309,43 3.859,44 4.69,45 4.889,46 3.787,47 3.824,48 6.076,49 3.771,50 4.561,51 4.777,52 3.677,53 3.684,54 5.805,55 3.641,56 0.262,57 0.79,58 9.29,59 4.278,60 41.091,61 4.872,62 0.568,63 1.208,64 15.936,65 7.2,66 91.517,67 8.982,68 0.783,69 1.46,70 25.454,71 8.942,72 114.469,73 11.511,74 0.974,75 1.439,76 29.394,77 9.373,78 150.579,79 12.043,80 1.087,81 1.324,82 29.516,83 9.35,84 185.504,85 12.228,86 1.098,87 1.215,88 25.67,89 8.759,90 175.117,91 11.284,92 0.836,93 1.111,94 24.011,95 8.288,96 141.989,97 10.759,98 0.596,99 1.004,100 21.263,101 7.063,102 88.679,103 9.472,104 59,105 47,106 0.287,107 0.674,108 0.814,109 0.89,110 0.896,111 0.896,112 3.501,113 0.845,114 -3.26,115 -3.25,116 -3.12,119 39.6,121 2,125 1,127 1,139 7,140 3,141 1,143 1,144 1,147 1,153 3,157 1,158 1,159 1,161 2,165 2,166 9,167 1,169 1,170 5,172 2,173 6,175 7,176 1,178 8,179 2,182 7,185 1,186 1,187 10,189 4,190 1,193 7,194 1,196 1,197 1,198 10,199 1,200 1,201 3,202 1,203 1,204 2,206 1,207 3,208 2,210 2,211 1,212 4,213 2,215 9,216 2,218 2,220 1,221 2,222 1,224 5,225 3,226 3,229 13,230 3,231 1,233 1,234 3,237 1,239 3,241 8,242 2,246 7,250 1,251 6,252 1,253 1,254 2,255 2,260 8,263 1,264 1,265 7,273 1812,274 20.878,275 20.878,276 20.878,277 20.878,278 20.878,279 18.336,280 24.772,281 12.251,282 21.171,283 16.75,284 16.75,285 16.75,286 16.75,287 16.75,288 12.832,289 30.208,290 5.839,291 17.232,292 3.992,293 1.646,294 0.8,295 0.34,296 0.302,297 0.302,298 4.18,301 1,303 986,304 4.528,307 323.12,311 173.503,314 2.371,315 53.895,318 0.5,319 0.67,320 0.5,321 0.4,323 0.5,324 0.5,325 0.44,326 72.5,327 473,328 4.541,329 3.777,330 6.502,331 4.044,332 3.079,333 4.491,334 2.375,335 10.175,336 2.977,337 4.207,338 3.592,339 6.116,340 3.886,341 2.892,342 3.772,343 2.341,344 8.889,345 2.868,346 3.899,347 3.52,348 5.832,349 3.645,350 2.657,351 3.244,352 1.061,353 7.911,354 2.615,355 3.785,356 3.167,357 5.389,358 3.434,359 2.461,360 3.127,361 0.657,362 7.073,363 2.388,364 3.658,365 2.774,366 5.225,367 3.263,368 2.289,369 2.952,370 0.14,371 6.619,372 2.227,373 3.523,374 2.515,375 5.062,376 3.175,377 2.17,378 2.811,380 5.801,381 2.152,382 3.428,383 2.218,384 4.965,385 2.966,386 2.035,387 2.691,389 5.739,390 1.888,391 3.366,392 2.149,393 4.645,394 2.897,395 1.953,396 2.685,398 5.12,399 1.834,400 2.879,401 2.1,402 4.202,403 2.449,404 1.457,405 1.925,407 3.76,408 1.428,409 2.5,410 1.893,411 3.71,412 2.145,413 1.133,414 1.5,415 2.628,416 1.128,417 2.482,418 1.114,419 3.625,420 2,421 1.008,422 1.435,423 2.565,424 1,425 2.453,426 1.104,427 3.414,428 1.973,429 1,430 1.369,431 2.275,432 0.968,433 1.933,434 1,435 3.261,436 1.672,437 0.722,438 0.841,439 1.736,440 0.683,441 1.571,442 0.978,443 2.845,444 1.342,445 0.342,446 0.386,448 0.774,449 0.336,450 1.39,451 0.548,452 2.72,453 0.981,454 0.038,455 0.049,457 0.094,458 0.035,459 14.5,460 0.453,461 0.949,462 0.03,463 42.75,464 1.336,465 22,466 0.688,467 20.75,468 0.648,469 24.091,470 0.753,471 35.3,472 0.666,473 36.899,474 1.153,475 8.795,476 0.275,477 6.429,478 0.201,479 0.166,481 0.379,485 0.923,486 1.208,487 0.78,488 0.948,489 0.823,490 0.832,491 0.436,492 1.157,493 0.741,494 1.129,495 0.419,496 1.046,497 0.928,498 1.166,499 1.007,500 1.081,501 0.901,502 1.065,503 1.119,504 1.073,505 1.125,506 1.065,507 1.094,508 1.088,509 0.989,510 0.966,511 0.997,512 0.976,513 1.027,514 0.992,515 0.745,516 0.79,517 0.988,518 0.983,519 0.786,520 1.048,521 0.898,522 0.977,523 1.019,524 1.049,525 0.89,526 1.074,527 0.896,528 1.028,529 0.931,530 1.038,531 0.876,532 1.005,533 8,534 0.214,535 3.778,536 1.813,537 2.16,538 1.118,539 0.506,540 0.507,541 0.385,542 0.182,543 15390,544 56951,545 1.976,546 39.6,548 10,551 7,552 2,553 2,555 1.738,556 1.811,557 3.803,558 4.124,560 1,564 91.983,565 1.736,566 4.082,567 4.928,568 5.388,569 5.426,570 5.426,571 3.233,572 4.453,573 4.972,574 4.023,575 1995.56,576 8.659,577 31399,579 1,581 1,582 303.58,583 1.531,584 4.907,585 0.235,586 0.009,587 0.08,588 0.038,589 0.05,590 0.027,591 0.013,592 0.015,593 0.013,594 0.007,595 0.488,596 0.17,597 0.75,598 1.667,599 172.929,600 -0.192,601 0.02,602 -0.044,603 0.131,604 -0.155,605 0.102,606 0.245,607 0.014,608 0.048,609 -0.065,610 0.21,611 -0.075,612 -0.107,613 -0.11,614 -0.102,615 -0.073,616 -0.105,617 -0.083,618 -0.165,619 -0.087,620 -0.152,621 -0.084,622 -0.148,623 -0.107,624 0.005,625 -0.032,626 0.011,627 0.017,629 0.016,630 0.222,631 0.176,632 -0.007,633 0.02,634 0.192,635 -0.047,636 0.01,637 -0.043,638 -0.035,639 -0.019,640 0.042,641 -0.036,642 -0.067,643 -0.077,644 0.056,645 -0.03,646 -0.048,647 0.034,648 2.965,649 5.288,650 0.5,651 38.789,652 1.029,653 1.133,654 2.031,655 4.126,656 0.657,657 3.555,658 3.871,659 4.06,660 4.263,661 4.5,662 4.522,663 4.533,664 4.605,665 4.745,666 4.71,667 8.639,668 0.653,669 439.47,670 3.555,671 5.094,672 5.916,673 6.779,674 7.622,675 8.486,676 9.338,677 10.203,678 11.06,679 11.926,680 9.4,684 1,685 1,687 1,690 2,694 2,695 7,696 2,700 5,702 17,707 1,711 1,712 1,715 1,718 53,719 20,720 2,721 34,723 55,724 21,725 14,726 5,727 7,728 1,729 3,730 4,739 3,741 17,742 4,744 3,748 3,751 3,754 1,757 21,758 11,759 7,760 11,764 5,769 0.667,770 6,776 1,781 3,785 1,792 2,800 2,802 2,810 32,811 1,815 3,816 3,817 2,820 1,829 11.3,831 3,832 3,836 17.667,837 9,838 7.028,839 2.829,840 3.5,841 1.46,842 0.915,843 7.457,844 11.116,845 3.839,846 4.431,847 4.94,848 5.488,849 6.07,850 6.316,851 6.613,852 6.921,853 7.342,854 7.383,855 0.9,856 48,857 11.865,859 5.186,860 8.328,861 21.289,863 17.038,865 2.828,866 90.5,870 164.795,871 95.777,872 102.49,874 203.485,877 95.777,878 368.28,879 102.49,881 25.186,882 99.231,883 261.591,884 13.845,885 1.899,886 164.795,888 164.795,889 198.267,890 203.485,893 141.253,894 227.027,897 29.229,898 117.456,899 51.582,901 164.795,902 305.975,903 95.777,906 164.795,907 29.443,908 66.334,909 36.022,910 269.953,911 164.795,912 305.975,913 95.777,915 0.585,916 0.321,917 0.161,918 0.094,919 20,920 11,921 0.164,922 9,923 1,924 1.125,925 4.329,926 270.11,927 0.125,928 16,929 156,933 23.252,934 10.263,935 6.297,936 0.999,937 305.975,938 11.65,939 7.793,943 1.586,945 196.969,946 566.547,947 45.5,951 34.155,954 -3.051,956 54.542,957 60.07,958 0.303,959 0.713,960 0.86,961 0.941,962 0.947,963 0.947,964 5.07,965 1.953,966 5.911,967 5.739,968 4.554,969 5.118,970 3.081,971 6.681,972 4.5,973 6.287,974 1.457,975 7.454,976 5.12,977 4.205,978 5.017,979 2.882,980 7.509,981 4.125,982 7.593,983 1.133,984 9.091,985 3.76,986 6.12,987 7.31,988 4.381,989 10.542,990 6.018,991 8.929,992 1.008,993 10.78,994 2.628,995 6.509,996 7.971,997 4.828,998 12.152,999 6.385,1000 10.292,1001 1,1002 12.502,1003 2.565,1004 7.94,1005 9.805,1006 5.947,1007 14.72,1008 7.794,1009 11.674,1010 0.722,1011 14.247,1012 2.275,1013 8.675,1014 10.851,1015 6.631,1016 16.687,1017 8.507,1018 13.071,1019 0.342,1020 16.01,1021 1.736,1022 9.906,1023 12.494,1024 7.604,1025 19.083,1026 9.716,1027 3.079,1028 0.038,1029 17.787,1030 0.774,1031 10.818,1032 13.754,1033 8.385,1034 21.223,1035 10.604,1036 2.892,1037 10.175,1038 19.576,1039 0.094,1040 11.964,1041 15.31,1042 9.295,1043 23.555,1044 11.727,1045 2.657,1046 8.889,1047 21.374,1048 4.491,1049 12.967,1050 16.685,1051 10.118,1052 25.778,1053 12.703,1054 2.461,1055 7.911,1056 23.18,1057 3.772,1058 14.079,1059 18.204,1060 11,1061 28.088,1062 13.79,1063 2.289,1064 7.073,1065 24.993,1066 3.244,1067 15.129,1068 19.639,1069 11.843,1070 30.353,1071 14.812,1072 2.17,1073 6.619,1074 26.812,1075 3.127,1076 16.23,1077 21.142,1078 12.712,1079 32.658,1080 15.885,1081 2.035,1082 5.801,1083 28.636,1084 2.952,1085 17.305,1086 22.609,1087 13.563,1088 34.944,1089 16.931,1090 15157,1091 29263,1092 21.789,1093 34.847,1094 51.083,1095 52.787,1096 52.176,1097 50.54,1098 50.473,1099 66.549,1100 13.149,1101 142.316,1102 49.054,1103 5.452,1104 5.777,1105 5.916,1106 5.116,1107 5.079,1108 7.491,1109 3.989,1110 17.069,1111 4.977,1112 20.732,1113 1.502,1114 1.553,1115 1.535,1116 1.486,1117 1.485,1118 1.957,1119 0.387,1120 4.186,1121 1.443,1122 4.073,1123 4.104,1124 4.041,1125 3.984,1126 7.477,1127 3.993,1128 3.938,1129 3.967,1130 3.888,1131 3.855,1132 7.471,1133 3.858,1134 3.759,1135 3.797,1136 3.672,1137 3.587,1138 7.428,1139 3.599,1140 3.54,1141 3.598,1142 3.472,1143 3.347,1144 6.476,1145 3.372,1146 3.454,1147 3.47,1148 3.394,1149 3.185,1150 6.352,1151 3.23,1152 3.271,1153 3.307,1154 3.22,1155 3.028,1156 6.35,1157 3.066,1158 3.088,1159 3.131,1160 2.998,1161 2.897,1162 5.205,1163 2.911,1164 3.066,1165 3.125,1166 2.952,1167 2.794,1168 4.774,1169 2.823,1170 0.134,1171 0.111,1172 0.191,1173 0.119,1174 0.091,1175 4.541,1176 0.132,1177 3.777,1178 0.07,1179 6.502,1180 0.299,1181 4.044,1182 0.088,1183 3.079,1184 4.491,1185 2.375,1186 10.175,1187 2.977,1188 2.016,1189 1.992,1190 2.088,1191 2.125,1192 1.234,1193 2.113,1194 1.907,1195 1.883,1196 2.004,1197 2.018,1198 1.22,1199 2.013,1200 1.702,1201 1.661,1202 1.896,1203 1.9,1204 1.086,1205 1.896,1206 1.462,1207 1.408,1208 1.608,1209 1.695,1210 0.742,1211 1.675,1212 1.311,1213 1.288,1214 1.472,1215 1.612,1216 0.582,1217 1.564,1218 1.155,1219 1.114,1220 1.367,1221 1.439,1222 0.326,1223 1.416,1224 1.009,1225 0.974,1226 1.214,1227 1.294,1228 0.218,1229 1.253,1230 0.958,1231 0.892,1232 1.181,1233 1.267,1234 0.217,1235 1.236,1236 4.234,1238 5.549,1240 7.041,1242 8.619,1244 10.246,1250 5.523,1251 27.799,1252 -0.164,1253 5.501,1256 -1.292,1262 34.61,1263 91.983,1264 216.361,1265 261.173,1266 285.58,1267 287.58,1268 287.58,1269 93.011,1270 7.616,1271 187.76,1272 187.76,1273 18,1274 12.474,1275 4.392,1276 3.644,1277 61.724,1278 170,1279 142,1280 0.177,1281 215.777,1282 380.78,1283 518.256,1284 23186,1286 23.25,1287 0.727,1288 0.524,1289 23.25,1290 16.778,1291 15.223,1292 0.448,1293 0.282,1294 9.407,1295 14.506,1296 9.277,1297 7.653,1298 15.223,1299 9.572,1300 14.203,1301 0.302,1302 0.149,1303 14.203,1304 6.985,1305 10.778,1306 0.189,1307 0.082,1308 10.778,1309 4.651,1310 8.491,1311 0.121,1312 0.043,1313 8.491,1314 2.997,1315 6.953,1316 0.078,1317 0.023,1318 6.953,1319 2.017,1320 0.289,1321 96.771,1322 0.214,1323 30.709,1324 0.452,1325 162,1326 590.924,1327 184.36,1328 564.61,1329 735.63,1330 518,1331 185,1332 515.141,1333 203.737,1334 517.069,1335 747.09,1336 485,1337 9.237}
{0 CHEMBL24007,1 1.739,2 9.318,3 3.276,4 10.732,5 92.179,6 9.218,7 0.708,8 3.701,9 3.821,10 3.492,11 3.343,12 4.902,13 3.294,14 4.154,15 4.306,16 3.885,17 3.731,18 5.356,19 3.648,20 4.322,21 4.472,22 3.962,23 3.855,24 5.445,25 3.753,26 4.405,27 4.588,28 3.995,29 3.825,30 5.576,31 3.68,32 4.445,33 4.701,34 3.547,35 3.674,36 5.442,37 3.517,38 4.221,39 4.456,40 3.51,41 3.52,42 5.228,43 3.379,44 4.086,45 4.315,46 3.38,47 3.436,48 5.073,49 3.292,50 4.012,51 4.248,52 3.429,53 3.294,54 5.109,55 3.178,56 0.062,57 0.576,58 5.516,59 2.884,60 10.689,61 3.327,62 0.186,63 0.892,64 13.164,65 5.692,66 20.032,67 6.627,68 0.156,69 1.022,70 17.022,71 6.56,72 17.487,73 7.265,74 0.26,75 1.101,76 22.166,77 7.641,78 30.424,79 8.724,80 0.35,81 1.076,82 25.138,83 7.545,84 42.615,85 8.532,86 0.234,87 0.838,88 18.662,89 5.839,90 27.829,91 7.441,92 0.141,93 0.717,94 15.46,95 5.696,96 19.713,97 7.031,98 0.182,99 0.632,100 15.075,101 4.809,102 22.668,103 6.27,104 17,105 34,106 0.314,107 0.693,108 0.819,109 0.879,110 0.879,111 0.879,112 3.147,113 0.995,114 -5.18,115 -5.07,116 -4.75,119 41.7,120 1,125 1,139 4,140 3,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 5,169 2,170 4,172 3,173 3,175 1,178 11,180 1,182 3,187 1,189 4,191 1,192 1,193 6,195 3,196 3,197 1,198 3,200 2,201 7,204 3,205 1,212 1,215 3,218 1,221 4,226 3,229 7,231 3,234 1,241 4,246 6,251 3,254 4,256 3,260 2,265 1,270 1,273 612,274 14.585,275 14.585,276 14.585,277 14.585,278 14.585,279 12.4,280 14.062,281 8.488,282 15.14,283 11.828,284 11.828,285 11.828,286 11.828,287 11.828,288 8.596,289 15.438,290 4.033,291 12.789,292 3.431,293 1.333,294 0.632,295 0.299,296 0.299,297 0.299,298 3.825,299 1,300 1,301 1,302 1,303 438,304 2.449,307 178.462,311 93.047,314 1.5,315 17.908,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 46.833,327 205,328 4.654,329 4.439,330 6.835,331 4.184,332 3.212,333 4.616,334 3.272,335 11.231,336 3.126,337 4.048,338 3.325,339 5.806,340 3.584,341 2.67,342 3.65,344 7.895,345 2.435,346 3.897,347 3.006,348 5.496,349 3.469,350 2.52,351 3.406,353 7.394,354 2.363,355 3.455,356 2.784,357 5.097,358 2.991,359 2.073,360 2.861,362 5.918,363 1.906,364 3.4,365 2.44,366 5.009,367 2.907,368 2,369 2.719,371 5.796,372 1.819,373 3.279,374 2.099,375 4.746,376 2.804,377 1.925,378 2.535,380 5.288,381 1.599,382 2.71,383 1.995,384 4.242,385 2.309,386 1.362,387 1.784,389 3.541,390 1.283,391 2.669,392 1.496,393 3.493,394 2.174,395 1.206,396 1.746,398 2.629,399 1.142,400 1.999,401 1.345,402 3.32,403 1.643,404 0.768,405 0.916,407 1.821,408 0.656,409 1.386,410 0.565,411 2.834,412 0.952,413 0.059,414 0.074,415 0.147,416 0.052,417 1.19,418 0.388,419 2.803,420 0.836,421 -0.116,422 -0.143,423 -0.302,424 -0.111,425 0.964,426 0.201,427 2.582,428 0.487,429 -0.394,430 -0.502,431 -0.89,432 -0.255,433 0.883,434 0.106,435 2.168,436 0.396,437 -0.452,438 -0.572,439 -1.156,440 -0.398,441 0.654,442 -0.294,443 2,444 0.234,445 -0.67,446 -0.812,448 -1.722,449 -0.586,450 0.424,451 -0.577,452 2,453 0.056,454 -0.867,455 -1.126,457 -2.209,458 -0.783,459 11.048,460 0.502,461 0.63,462 0.029,463 31.75,464 1.443,465 17.5,466 0.795,467 14.25,468 0.648,469 16.266,470 0.739,471 22.552,472 0.626,473 20.272,474 0.921,475 5.973,476 0.271,477 4.569,478 0.208,479 0.182,481 0.362,485 0.946,486 1.057,487 0.632,488 0.709,489 1.155,490 0.724,491 0.497,492 0.808,493 0.794,494 0.888,495 0.411,496 0.787,497 1.113,498 1.214,499 1.132,500 1.129,501 0.972,502 1.049,503 0.666,504 1.189,505 0.961,506 1.251,507 0.632,508 1.229,509 1.339,510 0.852,511 1.111,512 0.968,513 1.328,514 0.996,515 0.959,516 0.961,517 0.913,518 0.988,519 1.058,520 1.028,521 0.77,522 0.968,523 0.851,524 0.97,525 0.843,526 0.988,527 0.847,528 1.041,529 0.802,530 0.878,531 0.82,532 0.913,533 5,534 0.07,535 2.444,536 2,537 1.591,538 0.583,539 0.304,540 0.333,541 0.156,542 0.161,543 4940,544 16290,545 2.043,546 38.9,547 3,548 6,550 1,551 4,555 1.643,556 1.886,557 3.187,558 1.914,559 1,560 1,562 1,564 62.601,565 1.739,566 3.837,567 4.538,568 4.871,569 4.871,570 4.871,571 2.704,572 4.096,573 4.432,574 3.344,575 772.369,576 7.602,577 8430.85,578 1,579 1,580 1,581 1,582 186.117,583 1.495,584 4.376,585 0.208,586 0.007,587 0.072,588 0.057,589 0.053,590 0.027,591 0.015,592 0.018,593 0.009,594 0.012,595 0.478,596 0.17,597 1,598 0.65,599 101.079,600 -0.183,601 0.058,602 0.009,603 0.13,604 -0.294,605 0.094,606 0.287,607 0.265,608 0.061,609 0.109,610 0.3,611 0.127,612 -0.211,613 -0.156,614 -0.162,615 -0.12,616 -0.175,617 -0.142,618 0.213,619 -0.157,620 0.007,621 -0.209,622 0.236,623 -0.28,624 -0.343,625 0.158,626 -0.173,627 0.043,628 -0.305,629 -0.012,630 -0.072,631 -0.04,632 0.005,633 -0.028,634 -0.137,635 -0.017,636 -0.013,637 -0.06,638 0.032,639 0.017,640 -0.045,641 0.044,642 0.155,643 -0.176,644 0.178,645 0.029,646 0.175,647 0.108,648 1.53,649 1.959,650 0.727,651 16.909,652 1.009,653 1.123,654 3.952,655 15.622,656 0.732,657 3.219,658 3.555,659 3.807,660 4.078,661 4.263,662 4.29,663 4.29,664 4.394,665 4.454,666 4.466,667 5.557,668 0.688,669 331.86,670 3.219,671 4.762,672 5.609,673 6.494,674 7.356,675 8.245,676 9.113,677 10.005,678 10.879,679 11.772,680 13.9,684 2,690 3,694 2,695 5,696 3,700 6,702 17,711 2,717 1,718 36,719 17,720 1,721 24,723 38,724 15,725 13,726 2,727 4,729 3,730 4,731 1,734 1,741 13,742 2,753 1,754 1,757 14,758 5,759 4,760 7,761 2,764 5,769 0.667,775 1,776 1,781 3,785 1,802 2,803 1,804 1,806 1,807 1,810 22,811 2,816 1,819 1,828 1,836 11.667,837 6.743,838 4.778,839 1.908,840 3.326,841 1.482,842 1.017,843 4.272,844 10.227,845 3.512,846 4.19,847 4.804,848 5.424,849 5.985,850 6.241,851 6.527,852 6.906,853 7.28,854 7.376,855 1,856 35,857 8.042,859 3.374,860 7.763,861 15.22,863 12.295,865 2.263,866 49.778,870 117.711,871 108.835,872 116.151,873 39.149,876 32.22,877 76.615,878 156.86,879 116.151,880 8.825,881 0.9,882 103.699,883 62.128,884 24.758,885 4.227,886 138.159,887 39.149,888 117.711,889 192.766,891 71.368,893 119.426,897 20.671,898 120.023,899 89.505,900 32.22,901 117.711,902 116.151,903 147.983,906 117.711,907 53.057,908 55.778,910 155.3,911 117.711,912 116.151,913 147.983,915 0.589,916 0.341,917 0.188,918 0.097,919 17,920 8,921 0.079,922 3,923 1,924 1.125,925 3.399,926 171.548,927 0.125,928 16,929 98.107,930 1,933 15.192,934 6.186,935 3.232,936 1.289,937 116.151,938 9.565,939 12.476,943 4.439,945 65.794,946 381.845,947 32.5,956 36.327,957 40.432,958 0.336,959 0.742,960 0.878,961 0.942,962 0.942,963 0.942,964 4.738,965 1.206,966 5.609,967 3.541,968 4.234,969 4.875,970 3.11,971 6.425,972 4.09,973 5.98,974 0.768,975 7.174,976 2.629,977 3.892,978 4.808,980 7.334,981 3.681,982 7.307,983 0.059,984 8.837,985 1.821,986 5.832,987 7.179,988 5.44,989 10.447,990 5.59,991 8.669,992 -0.116,993 10.557,994 0.147,995 6.256,996 7.899,998 12.199,999 5.982,1000 10.06,1001 -0.394,1002 12.315,1003 -0.302,1004 7.709,1005 9.779,1006 7.807,1007 14.862,1008 7.407,1009 11.474,1010 -0.452,1011 14.103,1012 -0.89,1013 8.509,1014 10.899,1016 16.997,1017 8.193,1018 12.906,1019 -0.67,1020 15.913,1021 -1.156,1022 9.768,1023 12.571,1024 10.177,1025 19.503,1026 9.428,1027 3.212,1028 -0.867,1029 17.742,1030 -1.722,1031 10.754,1032 13.899,1034 21.804,1035 10.404,1036 2.67,1037 11.231,1038 19.587,1039 -2.209,1040 11.939,1041 15.481,1042 12.548,1043 24.254,1044 11.568,1045 2.52,1046 7.895,1047 21.445,1048 4.616,1049 13.014,1050 16.913,1052 26.624,1053 12.631,1054 2.073,1055 7.394,1056 23.314,1057 3.65,1058 14.175,1059 18.458,1060 14.919,1061 29.054,1062 13.772,1063 2,1064 5.918,1065 25.192,1066 3.406,1067 15.293,1068 19.94,1070 31.452,1071 14.875,1072 1.925,1073 5.796,1074 27.079,1075 2.861,1076 16.448,1077 21.473,1078 17.29,1079 33.874,1080 16.011,1081 1.362,1082 5.288,1083 28.971,1084 2.719,1085 17.588,1086 22.979,1088 36.285,1089 17.132,1090 4824,1091 8871,1092 15.72,1093 26.341,1094 35.913,1095 38.973,1096 37.087,1097 35.699,1098 35.591,1099 48.614,1100 6.545,1101 103.32,1102 32.761,1103 5.482,1104 6.439,1105 6.396,1106 5.293,1107 5.212,1108 7.616,1109 6.545,1110 18.467,1111 5.126,1112 11.502,1113 1.496,1114 1.624,1115 1.545,1116 1.487,1117 1.483,1118 2.026,1119 0.273,1120 4.305,1121 1.365,1122 4.067,1123 4.105,1124 4.12,1125 3.973,1126 5.321,1127 3.976,1128 3.879,1129 3.897,1130 4.002,1131 3.848,1132 4.981,1133 3.827,1134 3.533,1135 3.595,1136 3.692,1137 3.389,1138 4.935,1139 3.385,1140 3.183,1141 3.276,1142 3.382,1143 3.063,1144 4.803,1145 3.002,1146 3.078,1147 3.154,1148 3.132,1149 2.911,1150 4.327,1151 2.906,1152 3.023,1153 3.14,1154 3.049,1155 2.792,1156 4.182,1157 2.765,1158 2.878,1159 2.922,1160 2.815,1161 2.705,1162 4.022,1163 2.722,1164 2.776,1165 2.839,1166 2.664,1167 2.623,1168 3.746,1169 2.623,1170 0.194,1171 0.185,1172 0.285,1173 0.174,1174 0.134,1175 4.654,1176 0.192,1177 4.439,1178 0.136,1179 6.835,1180 0.468,1181 4.184,1182 0.13,1183 3.212,1184 4.616,1185 3.272,1186 11.231,1187 3.126,1188 1.995,1189 1.967,1190 2.047,1191 2.124,1192 1.23,1193 2.104,1194 1.866,1195 1.849,1196 1.938,1197 1.921,1198 1.06,1199 1.946,1200 1.468,1201 1.415,1202 1.606,1203 1.679,1204 0.733,1205 1.672,1206 1.173,1207 1.096,1208 1.487,1209 1.417,1210 0.559,1211 1.446,1212 1.007,1213 0.949,1214 1.263,1215 1.34,1216 0.214,1217 1.341,1218 0.946,1219 0.826,1220 1.2,1221 1.233,1222 0.158,1223 1.261,1224 0.868,1225 0.824,1226 1.102,1227 1.018,1228 0.088,1229 1.061,1230 0.765,1231 0.7,1232 0.991,1233 0.936,1235 0.974,1236 3.892,1238 5.22,1240 6.749,1242 8.377,1244 10.057,1246 1.994,1247 6.001,1250 11.561,1252 0.763,1255 1.689,1262 24.756,1263 62.601,1264 138.143,1265 163.362,1266 175.362,1267 175.362,1268 175.362,1269 29.674,1270 6.902,1271 90.71,1272 116.01,1273 18,1274 12.303,1275 4.17,1276 3.248,1277 34.576,1278 73,1279 66,1280 0.235,1281 162.491,1282 265.88,1283 388.239,1284 8522,1285 2.8,1286 15.69,1287 0.713,1288 0.611,1289 16.543,1290 13.449,1291 10.542,1292 0.439,1293 0.332,1294 6.65,1295 9.486,1296 6.316,1297 5.247,1298 11.285,1299 7.963,1300 9.803,1301 0.288,1302 0.185,1303 10.789,1304 6.305,1305 7.93,1306 0.18,1307 0.105,1308 8.851,1309 4.603,1310 6.969,1311 0.12,1312 0.059,1313 8.053,1314 3.45,1315 5.119,1316 0.073,1317 0.032,1318 6.002,1319 2.246,1320 0.366,1321 72.815,1322 0.252,1323 21.658,1324 0.651,1325 116,1326 330.624,1327 161.961,1328 382.211,1329 516.64,1330 356,1331 136,1332 349.709,1333 171.792,1334 380.941,1335 555.68,1336 357,1337 6.721}
{0 CHEMBL24344,1 1.565,2 9.955,3 3.098,4 9.596,5 92.416,6 7.986,7 0.708,8 3.762,9 3.894,10 3.439,11 3.374,12 4.921,13 3.32,14 4.229,15 4.404,16 3.807,17 3.757,18 5.354,19 3.669,20 4.382,21 4.544,22 3.889,23 3.889,24 5.449,25 3.785,26 4.522,27 4.734,28 3.81,29 3.86,30 5.602,31 3.707,32 4.531,33 4.807,34 3.536,35 3.719,36 5.467,37 3.548,38 4.252,39 4.494,40 3.456,41 3.549,42 5.204,43 3.393,44 4.124,45 4.355,46 3.217,47 3.452,48 5.06,49 3.302,50 4.13,51 4.409,52 3.164,53 3.319,54 5.049,55 3.186,56 0.042,57 0.627,58 7.955,59 3.361,60 9.69,61 4.274,62 0.185,63 0.973,64 16.216,65 6.453,66 19.772,67 7.989,68 0.082,69 1.13,70 18.124,71 7.107,72 11.541,73 8.732,74 0.228,75 1.235,76 23.666,77 8.616,78 32.283,79 10.891,80 0.284,81 1.153,82 26.254,83 7.876,84 38.328,85 10.13,86 0.182,87 0.903,88 20.659,89 6.309,90 22.231,91 8.243,92 0.092,93 0.77,94 15.33,95 5.736,96 16.499,97 7.519,98 0.117,99 0.736,100 15.387,101 5.265,102 19.58,103 7.567,104 17,105 34,106 0.278,107 0.642,108 0.759,109 0.804,110 0.832,111 0.832,112 3.147,113 0.987,114 -4.91,115 -4.82,116 -4.52,119 41,120 2,125 1,139 4,140 4,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 8,169 2,170 4,172 3,173 3,175 1,178 12,180 1,182 3,187 1,189 7,191 1,192 1,193 6,195 3,196 3,197 1,198 3,200 2,201 5,204 3,205 1,212 1,215 5,218 1,221 4,226 3,229 7,231 3,234 2,241 6,246 5,251 3,254 3,256 3,260 5,265 2,268 2,270 2,273 620,274 14.585,275 14.585,276 14.585,277 14.585,278 14.585,279 12.4,280 14.887,281 8.455,282 15.004,283 11.811,284 11.811,285 11.811,286 11.811,287 11.811,288 8.59,289 15.801,290 4.019,291 12.507,292 3.72,293 1.67,294 1.013,295 0.757,296 0.603,297 0.603,298 3.825,300 1,301 1,302 1,303 469,304 2.449,307 179.896,311 94.266,314 1.417,315 15.399,316 1,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 46.5,327 219,328 4.654,329 4.437,330 6.835,331 4.184,332 3.212,333 4.616,334 3.272,335 11.231,336 3.126,337 4.02,338 3.322,339 5.805,340 3.588,341 2.642,342 3.617,344 7.884,345 2.515,346 3.896,347 2.944,348 5.406,349 3.477,350 2.514,351 3.406,353 7.122,354 2.412,355 3.46,356 2.55,357 5.096,358 3.05,359 2.118,360 2.861,362 5.923,363 1.948,364 3.434,365 2.41,366 5.009,367 2.96,368 2.026,369 2.746,371 5.802,372 1.887,373 3.354,374 2.099,375 4.884,376 2.892,377 1.963,378 2.659,380 5.653,381 1.814,382 2.707,383 1.994,384 4.244,385 2.309,386 1.361,387 1.777,389 3.545,390 1.285,391 2.5,392 1.488,393 3.414,394 2,395 1,396 1.5,398 2.275,399 1,400 2.044,401 1,402 3.346,403 1.695,404 0.834,405 0.976,407 1.944,408 0.7,409 1.454,410 0.871,411 2.84,412 1.068,413 0.149,414 0.185,415 0.356,416 0.135,417 1.197,418 0.432,419 2.809,420 0.838,421 -0.11,422 -0.136,423 -0.286,424 -0.104,425 1.062,426 0.107,427 2.586,428 0.666,429 -0.27,430 -0.337,431 -0.617,432 -0.248,433 0.841,434 -0.285,435 2.17,436 0.432,437 -0.48,438 -0.596,439 -1.187,440 -0.437,441 0.5,442 -0.302,443 2,444 0.123,445 -0.794,446 -0.973,448 -2.022,449 -0.726,450 0.442,451 -0.579,452 2,454 -1,455 -1.34,457 -2.837,458 -1,459 10.833,460 0.492,461 0.63,462 0.029,463 31.5,464 1.432,465 17.5,466 0.795,467 14,468 0.636,469 16.239,470 0.738,471 22.767,472 0.584,473 20.166,474 0.917,475 5.941,476 0.27,477 4.601,478 0.209,479 0.166,481 0.369,485 1.094,486 1.085,487 0.774,488 0.813,489 1.304,490 0.819,491 0.446,492 0.79,493 0.9,494 0.919,495 0.389,496 0.804,497 1.039,498 1.268,499 1.134,500 1.181,501 0.908,502 1.108,503 0.636,504 1.181,505 1.19,506 1.328,507 0.618,508 1.25,509 1.519,510 0.807,511 1.202,512 0.893,513 1.397,514 0.918,515 0.977,516 1.043,517 1.221,518 1.209,519 1.019,520 1.04,521 0.842,522 1.055,523 1.073,524 1.131,525 0.932,526 1.136,527 0.712,528 0.943,529 0.603,530 0.788,531 0.723,532 0.841,533 5,534 0.124,535 2.667,536 1.75,537 1.591,538 0.639,539 0.303,540 0.326,541 0.209,542 0.107,543 5008,544 13298,545 2.043,546 43.6,547 6,548 6,550 1,551 4,555 1.642,556 1.886,557 3.251,558 1.87,559 1,560 1,562 1,564 61.034,565 1.565,566 3.616,567 4.272,568 4.529,569 4.683,570 4.683,571 2.716,572 3.971,573 4.43,574 3.385,575 781.901,576 7.595,577 8536.49,578 1,579 1,580 1,581 1,582 206.131,583 1.495,584 4.376,585 0.208,586 0.014,587 0.078,588 0.05,589 0.055,590 0.029,591 0.015,592 0.018,593 0.012,594 0.008,595 0.488,596 0.17,597 1,598 0.65,599 101.349,600 -0.168,601 0.048,602 0.042,603 0.119,604 -0.296,605 0.085,606 0.433,607 0.284,608 0.127,609 0.142,610 0.365,611 0.168,612 -0.142,613 -0.181,614 -0.112,615 -0.127,616 -0.138,617 -0.156,618 0.299,619 -0.167,620 -0.1,621 -0.262,622 0.278,623 -0.269,624 -0.325,625 0.176,626 -0.096,627 0.115,628 -0.257,629 0.051,630 -0.042,631 -0.063,632 -0.04,633 -0.095,634 -0.079,635 -0.027,636 -0.08,637 -0.117,638 -0.135,639 -0.14,640 -0.122,641 -0.133,642 0.123,643 -0.085,644 0.217,645 0.09,646 0.155,647 0.165,648 1.515,649 1.973,650 0.727,651 17.273,652 0.997,653 1.126,654 3.684,655 13.575,656 0.699,657 3.219,658 3.555,659 3.807,660 4.06,661 4.277,662 4.29,663 4.277,664 4.394,665 4.466,666 4.431,667 5.658,668 0.653,669 311.45,670 3.219,671 4.762,672 5.609,673 6.491,674 7.354,675 8.24,676 9.111,677 9.999,678 10.875,679 11.766,680 12.8,684 2,690 3,694 2,695 5,696 3,700 6,702 17,711 2,718 39,719 17,720 1,721 24,723 41,724 16,725 13,726 2,727 4,729 3,730 4,734 2,741 13,742 3,753 1,754 1,757 17,758 5,759 4,760 6,761 1,764 5,769 0.667,775 1,776 1,781 3,785 1,802 2,803 1,804 1,806 2,810 22,811 2,816 1,819 1,836 11.667,837 7.6,838 4.778,839 2.122,840 3.316,841 1.48,842 1.012,843 4.076,844 10.217,845 3.512,846 4.19,847 4.804,848 5.414,849 5.996,850 6.239,851 6.52,852 6.908,853 7.282,854 7.359,855 0.857,856 35,857 8.062,859 3.356,860 7.667,861 15.434,863 12.461,865 2.167,866 47.667,870 153.024,871 117.345,872 116.151,876 32.22,877 85.125,878 153.024,879 116.151,880 17.65,881 0.9,882 103.699,883 62.128,884 24.443,885 4.227,886 173.473,888 153.024,889 201.276,891 32.22,893 154.74,897 29.497,898 119.708,899 50.357,900 32.22,901 153.024,902 116.151,903 117.345,906 153.024,907 52.742,908 64.603,910 116.151,911 153.024,912 116.151,913 117.345,915 0.59,916 0.342,917 0.182,918 0.1,919 17,920 8,921 0.073,922 3,923 1,924 1.125,925 3.412,926 170.954,927 0.125,928 16,929 94.107,930 1,933 14.917,934 6.012,935 3.122,936 1.336,937 116.151,938 10.319,939 12.53,943 5.204,945 65.794,946 386.52,947 32.5,956 38.887,957 43.903,958 0.296,959 0.684,960 0.808,961 0.857,962 0.886,963 0.886,964 4.738,965 1,966 5.609,967 3.545,968 4.234,969 4.875,970 3.11,971 6.422,972 4.129,973 5.98,974 0.834,975 7.174,976 2.275,977 3.892,978 4.808,980 7.334,981 3.768,982 7.307,983 0.149,984 8.836,985 1.944,986 5.832,987 7.179,988 5.44,989 10.437,990 5.649,991 8.669,992 -0.11,993 10.555,994 0.356,995 6.256,996 7.899,998 12.192,999 6.066,1000 10.06,1001 -0.27,1002 12.313,1003 -0.286,1004 7.707,1005 9.777,1006 7.807,1007 14.851,1008 7.47,1009 11.473,1010 -0.48,1011 14.099,1012 -0.617,1013 8.503,1014 10.895,1016 16.989,1017 8.261,1018 12.905,1019 -0.794,1020 15.908,1021 -1.187,1022 9.761,1023 12.566,1024 10.177,1025 19.495,1026 9.483,1027 3.212,1028 -1,1029 17.736,1030 -2.022,1031 10.744,1032 13.894,1034 21.799,1035 10.456,1036 2.642,1037 11.231,1038 19.581,1039 -2.837,1040 11.929,1041 15.476,1042 12.548,1043 24.249,1044 11.612,1045 2.514,1046 7.884,1047 21.439,1048 4.616,1049 13.004,1050 16.907,1052 26.621,1053 12.67,1054 2.118,1055 7.122,1056 23.308,1057 3.617,1058 14.164,1059 18.454,1060 14.919,1061 29.051,1062 13.805,1063 2.026,1064 5.923,1065 25.186,1066 3.406,1067 15.283,1068 19.936,1070 31.45,1071 14.903,1072 1.963,1073 5.802,1074 27.073,1075 2.861,1076 16.439,1077 21.469,1078 17.29,1079 33.873,1080 16.034,1081 1.361,1082 5.653,1083 28.965,1084 2.746,1085 17.579,1086 22.975,1088 36.284,1089 17.152,1090 4888,1091 8101,1092 15.72,1093 27.245,1094 35.964,1095 39.082,1096 37.092,1097 35.613,1098 35.64,1099 48.689,1100 6.545,1101 103.468,1102 33.646,1103 5.481,1104 6.437,1105 6.249,1106 5.289,1107 5.212,1108 7.616,1109 6.545,1110 18.466,1111 5.126,1112 11.595,1113 1.498,1114 1.628,1115 1.545,1116 1.484,1117 1.485,1118 2.029,1119 0.273,1120 4.311,1121 1.402,1122 4.067,1123 4.105,1124 4.095,1125 3.975,1126 5.321,1127 3.978,1128 3.901,1129 3.928,1130 3.951,1131 3.859,1132 4.981,1133 3.844,1134 3.536,1135 3.598,1136 3.576,1137 3.401,1138 4.808,1139 3.39,1140 3.221,1141 3.293,1142 3.323,1143 3.133,1144 4.725,1145 3.081,1146 3.159,1147 3.25,1148 3.05,1149 2.945,1150 4.19,1151 2.948,1152 3.024,1153 3.153,1154 2.844,1155 2.786,1156 4.024,1157 2.772,1158 2.983,1159 3.075,1160 2.793,1161 2.735,1162 3.892,1163 2.716,1164 2.854,1165 2.925,1166 2.687,1167 2.702,1168 3.674,1169 2.715,1170 0.194,1171 0.185,1172 0.285,1173 0.174,1174 0.134,1175 4.654,1176 0.192,1177 4.437,1178 0.136,1179 6.835,1180 0.468,1181 4.184,1182 0.13,1183 3.212,1184 4.616,1185 3.272,1186 11.231,1187 3.126,1188 1.996,1189 1.968,1190 2.049,1191 2.124,1192 1.233,1193 2.104,1194 1.901,1195 1.877,1196 2.012,1197 1.97,1198 1.125,1199 1.993,1200 1.474,1201 1.422,1202 1.609,1203 1.682,1204 0.763,1205 1.676,1206 1.231,1207 1.167,1208 1.525,1209 1.427,1210 0.575,1211 1.476,1212 1.137,1213 1.05,1214 1.471,1215 1.386,1216 0.556,1217 1.415,1218 0.947,1219 0.858,1220 1.263,1221 1.338,1222 0.218,1223 1.341,1224 0.94,1225 0.825,1226 1.191,1227 1.208,1228 0.166,1229 1.235,1230 0.886,1231 0.821,1232 1.181,1233 1.062,1235 1.107,1236 3.892,1238 5.22,1240 6.749,1242 8.375,1244 10.054,1246 4.102,1250 11.586,1252 0.821,1255 1.768,1262 25.455,1263 61.034,1264 141.011,1265 166.621,1266 176.621,1267 182.621,1268 182.621,1269 28.348,1270 6.902,1271 90.71,1272 116.01,1273 18,1274 12.297,1275 4.17,1276 3.248,1277 34.625,1278 74,1279 80,1280 0.231,1281 163.751,1282 267.97,1283 391.312,1284 8522,1286 15.69,1287 0.713,1288 0.605,1289 16.043,1290 13.315,1291 10.542,1292 0.439,1293 0.329,1294 6.931,1295 9.795,1296 6.559,1297 5.503,1298 10.996,1299 7.896,1300 9.791,1301 0.288,1302 0.183,1303 10.368,1304 6.225,1305 8.021,1306 0.182,1307 0.105,1308 8.698,1309 4.611,1310 6.765,1311 0.119,1312 0.056,1313 7.455,1314 3.216,1315 5.233,1316 0.074,1317 0.032,1318 5.967,1319 2.294,1320 0.362,1321 69.639,1322 0.252,1323 21.732,1324 0.637,1325 116,1326 304.42,1327 146.442,1328 328.91,1329 457.82,1330 308,1331 136,1332 332.846,1333 162.033,1334 356.013,1335 518.29,1336 333,1337 6.301}
{0 CHEMBL24374,1 1.388,2 8.84,3 4.377,4 19.16,5 105.915,6 6.228,7 0.462,8 4.051,9 4.202,10 3.442,11 3.541,12 5.102,13 3.485,14 4.594,15 4.815,16 3.846,17 3.959,18 5.542,19 3.884,20 4.826,21 5.004,22 3.951,23 4.213,24 5.797,25 4.101,26 5.171,27 5.454,28 3.987,29 4.295,30 6.012,31 4.147,32 5.084,33 5.31,34 3.955,35 4.301,36 5.954,37 4.172,38 5.126,39 5.356,40 3.82,41 4.371,42 5.96,43 4.177,44 5.381,45 5.73,46 3.682,47 4.305,48 6.002,49 4.043,50 5.113,51 5.457,52 3.677,53 3.981,54 5.944,55 3.782,56 0.075,57 0.782,58 13.391,59 5.041,60 15.868,61 7.5,62 0.263,63 1.206,64 22.94,65 8.885,66 31.305,67 12.703,68 0.142,69 1.575,70 28.868,71 11.339,72 27.995,73 16.657,74 0.369,75 1.795,76 40.32,77 14.388,78 56.771,79 21.433,80 0.44,81 1.737,82 37.825,83 13.419,84 49.462,85 19.48,86 0.216,87 1.91,88 38.253,89 15.14,90 40.821,91 22.404,92 0.32,93 1.941,94 47.994,95 17.223,96 56.257,97 26.627,98 0.462,99 1.522,100 37.822,101 10.976,102 63.779,103 18.442,104 91,105 40,106 0.233,107 0.518,108 0.625,109 0.637,110 0.637,111 0.637,112 3.268,113 0.983,114 -5.2,115 -5.09,116 -4.76,119 36.4,120 6,121 1,123 2,124 1,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 14,169 1,170 4,172 3,173 3,175 1,178 21,180 1,182 6,187 1,189 16,191 1,193 9,195 1,196 1,197 1,198 2,200 2,201 19,204 2,205 1,207 5,212 3,215 20,218 3,221 5,226 3,229 15,231 3,234 4,239 4,243 4,245 2,246 12,248 1,249 1,251 8,256 8,265 2,270 2,273 844,274 15.331,275 15.331,276 15.331,277 15.331,278 15.331,279 13.854,280 25.239,281 8.524,282 15.676,283 12.756,284 12.756,285 12.756,286 12.756,287 12.756,288 10.404,289 33.477,290 3.965,291 13.219,292 4.394,293 2.696,294 2.06,295 1.988,296 1.988,297 1.988,298 3.915,301 1,302 1,303 443,304 4.183,307 176.789,314 1.165,315 19.283,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 53,327 221,328 4.705,329 3.746,330 7.409,331 4.492,332 3.5,333 4.275,334 0.86,335 12.941,336 3.473,337 4.292,338 3.459,339 7.097,340 4.23,341 3.23,342 3.883,343 0.68,344 11.613,345 3.23,346 4.242,347 3.098,348 6.094,349 3.843,350 2.88,351 3.425,353 8.876,354 2.782,355 3.716,356 2.636,357 5.734,358 3.428,359 2.45,360 3.019,362 7.668,363 2.393,364 3.463,365 2.518,366 5.278,367 3.142,368 2.202,369 2.713,371 6.645,372 2.065,373 3.329,374 2.174,375 4.921,376 2.931,377 1.991,378 2.517,380 5.649,381 1.861,382 2.823,383 1.583,384 4.542,385 2.352,386 1.419,387 1.952,389 4.087,390 1.32,391 2.65,392 1.313,393 4.141,394 2.285,395 1.285,396 1.698,398 3.668,399 1.285,400 1.895,401 1.266,402 3.625,403 1.65,404 0.761,405 0.834,407 1.628,408 0.668,409 1.548,410 0.626,411 3.008,412 1.249,413 0.323,414 0.381,415 0.691,416 0.298,417 0.973,418 0.134,419 2.873,420 0.646,421 -0.284,422 -0.337,423 -0.578,424 -0.261,425 0.796,426 -0.314,427 2.521,428 0.393,429 -0.514,430 -0.621,431 -1.242,432 -0.466,433 0.756,434 -0.379,435 2.359,436 0.356,437 -0.644,438 -0.852,439 -1.979,440 -0.644,441 0.477,442 -0.505,443 2.319,444 0.2,445 -0.749,446 -0.865,448 -2.191,449 -0.704,450 0.052,451 -0.949,452 2.307,454 -1,455 -1,457 -3,458 -1,459 11.933,460 0.477,461 1.156,462 0.046,463 28.5,464 1.14,465 13.5,466 0.54,467 15,468 0.6,469 28.838,470 1.154,471 28.867,472 0.525,473 20.775,474 0.831,475 4.982,476 0.199,477 6.448,478 0.258,479 0.36,480 0.084,481 0.293,485 1.038,486 1.345,487 1.025,488 1.213,489 1.35,490 1.126,491 0.808,492 0.735,493 0.694,494 0.764,495 0.452,496 0.736,497 0.87,498 1.501,499 1.25,500 1.526,501 0.904,502 1.444,503 0.897,504 0.859,505 0.835,506 0.93,507 0.713,508 0.888,509 1.947,510 0.992,511 1.248,512 1.035,513 1.165,514 1.095,515 0.711,516 1.454,517 1.391,518 1.597,519 0.889,520 1.576,521 0.308,522 0.896,523 0.685,524 0.902,525 0.445,526 0.846,527 0.534,528 1.023,529 0.626,530 0.813,531 0.552,532 0.741,533 9,534 0.029,535 3.778,536 2.813,537 2.533,538 1.396,539 0.752,540 0.701,541 0.255,542 0.275,543 5482,544 12196,545 1.845,546 54.5,547 20,548 5,550 1,551 4,555 1.688,556 1.63,557 3.019,558 1.697,560 1,564 76.33,565 1.388,566 3.085,567 3.721,568 3.794,569 3.794,570 3.794,571 2.393,572 3.673,573 4.617,574 3.221,575 966.443,576 8.026,577 11413.4,579 1,581 1,582 317.975,583 1.851,584 4.483,585 0.346,586 0.004,587 0.094,588 0.069,589 0.06,590 0.034,591 0.023,592 0.025,593 0.009,594 0.021,595 0.686,597 1,598 1.083,599 117.884,600 -0.062,601 -0.015,602 0.02,603 0.005,604 -0.252,605 0.023,606 0.22,607 0.397,608 0.32,609 0.354,610 0.371,611 0.342,612 -0.07,613 -0.267,614 -0.249,615 -0.329,616 -0.144,617 -0.309,618 0.089,619 0.099,620 0.14,621 0.08,622 0.136,623 0.113,624 -0.32,625 0.043,626 -0.204,627 0.034,628 -0.17,629 -0.067,630 -0.122,631 -0.35,632 -0.439,633 -0.466,634 -0.193,635 -0.486,636 0.166,637 -0.095,638 0.21,639 0.043,640 0.138,641 0.118,642 0.353,643 -0.191,644 0.326,645 0.062,646 0.394,647 0.169,648 1.471,649 2.308,650 0.48,651 18.65,652 0.986,653 1.138,654 3.97,655 15.765,656 0.625,657 3.296,658 3.714,659 3.871,660 4.127,661 4.369,662 4.331,663 4.407,664 4.466,665 4.369,666 4.394,667 5.336,668 0.575,669 342.54,670 3.296,671 4.89,672 5.727,673 6.65,674 7.518,675 8.436,676 9.317,677 10.232,678 11.12,679 12.034,680 7.3,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,718 55,719 12,720 1,721 26,723 56,724 20,725 10,726 4,727 2,729 2,730 2,734 6,735 2,739 1,741 10,742 10,754 1,757 30,758 5,759 4,760 5,764 4,769 1,770 1,776 1,781 2,802 2,806 7,810 25,811 2,816 1,818 1,822 2,829 1.8,834 1,836 15.333,837 11.983,838 5.25,839 3.071,840 2.235,841 1.334,842 0.907,843 5.336,844 8.929,845 3.497,846 4.143,847 4.649,848 5.198,849 5.734,850 5.868,851 6.169,852 6.432,853 6.704,854 7.019,855 0.833,856 41,857 9.205,859 3.743,860 7.627,861 17.788,863 14.3,865 2.127,866 53.167,868 1,869 1,870 306.049,871 116.581,872 99.365,874 11,877 116.581,878 317.049,879 99.365,880 63.834,881 2.535,882 84.747,883 45.342,884 38.033,885 4.227,886 294.278,888 306.049,889 215.947,890 11,893 306.049,894 11,897 66.432,898 115.944,899 33.571,901 306.049,902 110.365,903 116.581,906 306.049,907 24.747,908 91.834,910 110.365,911 306.049,912 110.365,913 116.581,915 0.612,916 0.332,917 0.171,918 0.104,919 19,920 11,921 0.089,922 5,924 1,925 3.314,926 207.096,928 12,929 94.587,933 19.519,934 6.834,935 4.432,937 110.365,938 6.1,939 8.14,943 6,945 65.794,946 532.995,947 32,956 54.221,957 62.6,958 0.24,959 0.534,960 0.644,961 0.656,962 0.656,963 0.656,964 4.804,965 1.285,966 5.844,967 4.087,968 4.394,969 4.828,970 1.225,971 6.772,972 4.339,973 6.092,974 0.761,975 7.501,976 3.668,977 4.511,978 4.966,980 8.184,981 4.466,982 7.465,983 0.323,984 9.271,985 1.628,986 6.209,987 7.07,988 0.925,989 11.178,990 6.132,991 8.867,992 -0.284,993 11.106,994 0.691,995 7.004,996 7.864,998 13.294,999 6.942,1000 10.294,1001 -0.514,1002 12.981,1003 -0.578,1004 8.352,1005 9.589,1006 0.697,1007 15.961,1008 8.273,1009 11.739,1010 -0.644,1011 14.883,1012 -1.242,1013 9.403,1014 10.683,1016 18.335,1017 9.333,1018 13.198,1019 -0.749,1020 16.804,1021 -1.979,1022 10.651,1023 12.253,1024 0.525,1025 20.908,1026 10.572,1027 3.5,1028 -1,1029 18.739,1030 -2.191,1031 11.803,1032 13.503,1034 23.38,1035 11.726,1036 3.23,1037 12.941,1038 20.685,1039 -3,1040 13.026,1041 14.999,1042 0.395,1043 25.927,1044 12.943,1045 2.88,1046 11.613,1047 22.64,1048 4.275,1049 14.219,1050 16.333,1052 28.439,1053 14.135,1054 2.45,1055 8.876,1056 24.602,1057 3.883,1058 15.439,1059 17.796,1060 0.298,1061 30.979,1062 15.35,1063 2.202,1064 7.668,1065 26.569,1066 3.425,1067 16.652,1068 19.176,1070 33.509,1071 16.559,1072 1.991,1073 6.645,1074 28.54,1075 3.019,1076 17.875,1077 20.624,1078 0.224,1079 36.05,1080 17.778,1081 1.419,1082 5.649,1083 30.516,1084 2.713,1085 19.098,1086 22.03,1088 38.588,1089 18.995,1090 5755,1091 8729,1092 15.315,1093 34.376,1094 40.71,1095 40.808,1096 42.296,1097 39.971,1098 40.08,1099 49.395,1100 3.08,1101 126.93,1102 38.748,1103 5.486,1104 5.746,1105 6.91,1106 5.561,1107 5.5,1108 7.275,1109 1.72,1110 21.029,1111 5.473,1112 18.441,1113 1.566,1114 1.57,1115 1.627,1116 1.537,1117 1.542,1118 1.9,1119 0.118,1120 4.882,1121 1.49,1122 4.049,1123 4.075,1124 3.997,1125 3.988,1126 5.291,1127 3.986,1128 3.846,1129 3.899,1130 3.806,1131 3.692,1132 4.979,1133 3.712,1134 3.685,1135 3.746,1136 3.541,1137 3.583,1138 4.838,1139 3.566,1140 3.5,1141 3.565,1142 3.352,1143 3.368,1144 4.464,1145 3.357,1146 3.29,1147 3.351,1148 3.133,1149 3.021,1150 4.375,1151 3.039,1152 3.111,1153 3.22,1154 2.957,1155 2.847,1156 4.294,1157 2.856,1158 2.955,1159 3.074,1160 2.783,1161 2.632,1162 4.148,1163 2.657,1164 2.874,1165 3.009,1166 2.548,1167 2.618,1168 3.745,1169 2.57,1170 0.181,1171 0.144,1172 0.285,1173 0.173,1174 0.135,1175 4.705,1176 0.164,1177 3.746,1178 0.033,1179 7.409,1180 0.498,1181 4.492,1182 0.134,1183 3.5,1184 4.275,1185 0.86,1186 12.941,1187 3.473,1188 2.012,1189 1.992,1190 2.122,1191 2.095,1192 1.372,1193 2.103,1194 1.781,1195 1.735,1196 1.959,1197 1.965,1198 1.176,1199 1.945,1200 1.713,1201 1.657,1202 1.902,1203 1.861,1204 1.081,1205 1.898,1206 1.498,1207 1.437,1208 1.704,1209 1.676,1210 0.756,1211 1.698,1212 1.223,1213 1.156,1214 1.573,1215 1.536,1216 0.573,1217 1.547,1218 1.053,1219 0.961,1220 1.417,1221 1.38,1222 0.469,1223 1.373,1224 0.934,1225 0.804,1226 1.417,1227 1.239,1228 0.469,1229 1.308,1230 0.934,1231 0.804,1232 1.417,1233 1.239,1234 0.469,1235 1.308,1236 3.97,1238 5.361,1240 6.927,1242 8.576,1244 10.272,1246 14.919,1250 11.62,1252 0.655,1254 5.808,1258 -0.074,1262 31.649,1263 76.33,1264 169.668,1265 204.651,1266 208.651,1267 208.651,1268 208.651,1269 55.09,1270 6.695,1271 87.05,1272 87.05,1273 12,1274 12.551,1275 3.7,1276 2.807,1277 51.227,1278 80,1279 88,1280 0.326,1281 201.44,1282 344.99,1283 483.272,1284 5618,1286 18.991,1287 0.76,1288 0.656,1289 18.991,1290 16.397,1291 11.43,1292 0.44,1293 0.328,1294 8.427,1295 11.074,1296 7.812,1297 6.73,1298 11.43,1299 8.519,1300 12.246,1301 0.306,1302 0.213,1303 12.246,1304 8.54,1305 8.15,1306 0.173,1307 0.091,1308 8.15,1309 4.28,1310 6.704,1311 0.11,1312 0.048,1313 6.704,1314 2.915,1315 5.741,1316 0.074,1317 0.03,1318 5.741,1319 2.313,1320 0.491,1321 71.134,1322 0.256,1323 23.58,1324 0.958,1325 132,1326 307.65,1327 140.929,1328 308.621,1329 425.29,1330 286,1331 153,1332 320.517,1333 161.651,1334 338.001,1335 484.03,1336 309,1337 4.509}
{0 CHEMBL24430,1 1.524,2 7.947,3 2.754,4 7.585,5 78.497,6 6.983,7 0.6,8 3.693,9 3.836,10 3.175,11 3.19,12 4.869,13 3.164,14 4.16,15 4.358,16 3.52,17 3.56,18 5.272,19 3.503,20 4.363,21 4.554,22 3.597,23 3.7,24 5.474,25 3.632,26 4.531,27 4.762,28 3.439,29 3.702,30 5.622,31 3.586,32 4.48,33 4.738,34 3.264,35 3.631,36 5.409,37 3.477,38 4.438,39 4.74,40 3.142,41 3.48,42 5.311,43 3.322,44 4.231,45 4.529,46 3.127,47 3.272,48 5.165,49 3.148,50 4.035,51 4.295,52 2.885,53 3.003,54 5.332,55 2.91,56 0.059,57 0.556,58 8.305,59 3.046,60 12.71,61 4.395,62 0.151,63 0.828,64 13.822,65 5.515,66 18.501,67 7.753,68 0.084,69 0.972,70 16.989,71 6.179,72 20.074,73 9.044,74 0.309,75 1.009,76 21.448,77 7.035,78 51.347,79 10.222,80 0.175,81 0.945,82 20.225,83 6.961,84 35.393,85 10.51,86 0.211,87 0.847,88 20.136,89 6.183,90 35.417,91 9.802,92 0.096,93 0.703,94 16.153,95 4.99,96 20.764,97 8.045,98 0.353,99 0.587,100 13.58,101 2.682,102 51.2,103 4.88,104 27,105 28,106 0.279,107 0.657,108 0.828,109 0.858,110 0.868,111 0.868,112 3.01,113 0.929,114 -3.75,115 -3.72,116 -3.54,119 37.8,120 2,121 2,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 9,169 1,170 2,172 3,173 3,175 3,178 10,180 1,182 2,187 5,189 11,191 1,193 2,195 1,196 1,197 1,198 4,200 2,201 9,204 2,205 1,207 4,212 4,215 5,218 3,221 4,226 4,229 1,231 3,234 4,239 4,243 4,246 2,249 2,250 1,251 3,253 1,256 3,265 2,270 2,273 403,274 12.386,275 12.386,276 12.386,277 12.386,278 12.386,279 10.728,280 17.019,281 7.113,282 12.593,283 9.756,284 9.756,285 9.756,286 9.756,287 9.756,288 7.306,289 21.753,290 3.283,291 10.116,292 3.685,293 1.621,294 0.689,295 0.527,296 0.473,297 0.473,298 3.66,300 1,301 1,302 1,303 308,304 2.345,307 126.784,314 1.119,315 18.264,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 41,327 151,328 4.394,329 3.264,330 6.378,331 4.011,332 3.027,333 4.084,334 0.68,335 9.623,336 2.977,337 4.223,338 3.049,339 6.084,340 3.804,341 2.846,342 3.872,344 8.808,345 2.732,346 3.583,347 2.509,348 5.257,349 3.216,350 2.26,351 2.916,353 6.611,354 2.163,355 3.352,356 2.259,357 5.038,358 2.975,359 1.992,360 2.651,362 5.667,363 1.972,364 3.293,365 2.154,366 4.917,367 2.927,368 1.966,369 2.543,371 5.608,372 1.863,373 2.821,374 1.565,375 4.136,376 2.348,377 1.414,378 1.95,380 3.658,381 1.317,382 1.884,383 1.234,384 3.37,385 1.707,386 0.752,387 0.82,389 1.582,390 0.712,391 1.611,392 0.633,393 2.947,394 1.358,395 0.398,396 0.467,398 0.835,399 0.38,400 1.299,401 0.296,402 2.666,403 1.023,404 0.071,405 0.083,407 0.134,408 0.067,409 0.848,410 -0.177,411 2.359,412 0.533,413 -0.455,414 -0.56,415 -1.146,416 -0.448,417 0.795,418 -0.314,419 2.321,420 0.393,421 -0.515,422 -0.621,423 -1.242,424 -0.467,425 0.573,426 -0.445,427 2,428 0.303,429 -0.666,430 -0.799,431 -1.627,432 -0.642,433 0.101,434 -0.915,435 1.482,436 -0.202,437 -1.157,438 -1.423,439 -3.061,440 -1.091,441 -0.084,442 -0.98,443 1.372,444 -0.383,445 -1.347,446 -1.581,448 -3.485,449 -1.275,450 -0.167,451 -1.261,452 1.3,453 -0.478,454 -1.414,455 -1.859,457 -4.04,458 -1.347,459 8.933,460 0.47,461 0.579,462 0.03,463 25.25,464 1.329,465 13.5,466 0.711,467 11.75,468 0.618,469 13.982,470 0.736,471 21.067,472 0.569,473 16.598,474 0.874,475 4.879,476 0.257,477 4.129,478 0.217,479 0.239,481 0.392,485 1.128,486 1.193,487 0.934,488 0.986,489 1.224,490 0.935,491 0.444,492 0.874,493 0.699,494 0.96,495 0.454,496 0.885,497 0.922,498 1.307,499 1.003,500 1.27,501 0.831,502 1.164,503 1.406,504 0.968,505 1.238,506 1.104,507 1.447,508 1.159,509 0.87,510 1.132,511 1.1,512 1.2,513 0.887,514 1.193,515 0.823,516 0.898,517 0.879,518 0.882,519 0.829,520 0.886,521 0.552,522 1.191,523 0.625,524 0.986,525 0.51,526 0.842,527 1.551,528 1.035,529 1.446,530 1.01,531 1.472,532 1.158,533 5,535 2.444,536 1.688,537 1.298,538 0.41,539 0.507,540 0.295,541 0.152,542 0.087,543 2908,544 7962,545 1.935,546 48.6,547 10,548 2,550 1,551 5,555 1.604,556 1.754,557 2.999,558 2.892,560 1,562 1,564 56.388,565 1.524,566 3.589,567 4.52,568 4.682,569 4.736,570 4.736,571 2.439,572 4.248,573 4.223,574 3.106,575 531.137,576 7.194,577 5208.59,578 1,579 1,581 1,582 192.75,583 1.568,584 4.14,585 0.25,587 0.087,588 0.058,589 0.056,590 0.022,591 0.03,592 0.017,593 0.014,594 0.017,595 0.552,596 0.5,597 1,598 0.954,599 82.002,600 -0.193,601 0.074,602 -0.02,603 0.126,604 -0.252,605 0.088,606 0.276,607 0.261,608 0.216,609 0.136,610 0.204,611 0.156,612 -0.06,613 -0.188,614 -0.081,615 -0.192,616 -0.009,617 -0.143,618 -0.185,619 0.03,620 -0.261,621 -0.104,622 -0.176,623 -0.188,624 -0.085,625 -0.179,626 -0.16,627 -0.18,628 -0.08,629 -0.184,630 -0.025,631 -0.023,632 0.093,633 0.074,634 -0.046,635 0.097,636 0.176,637 -0.327,638 0.344,639 -0.019,640 0.2,641 0.155,642 0.007,643 0.018,644 -0.393,645 -0.215,646 -0.004,647 -0.332,648 1.489,649 3.913,650 0.632,651 12.222,652 0.998,653 1.138,654 2.524,655 6.372,656 0.643,657 3.045,658 3.367,659 3.584,660 3.761,661 3.932,662 3.871,663 3.871,664 3.85,665 3.85,666 3.738,667 4.83,668 0.608,669 258.36,670 3.045,671 4.575,672 5.407,673 6.275,674 7.124,675 7.992,676 8.847,677 9.714,678 10.572,679 11.439,680 10.8,684 2,690 2,695 3,696 2,700 7,702 12,711 2,715 1,718 37,719 12,720 1,721 20,723 38,724 14,725 10,726 4,727 2,729 2,730 2,734 2,739 2,741 10,742 4,753 1,754 1,757 18,758 5,759 5,760 5,764 4,769 1,770 1,776 1,781 2,802 2,806 2,810 19,811 2,815 1,816 2,829 2.7,831 1,836 10.833,837 7.017,838 4.25,839 2.163,840 2.26,841 1.366,842 0.945,843 3.907,844 8.43,845 3.296,846 3.932,847 4.46,848 4.966,849 5.469,850 5.54,851 5.689,852 6.015,853 6.36,854 6.593,855 1,856 29,857 6.968,859 2.863,860 7.851,861 13.154,863 10.402,865 2.351,866 44.667,867 0.001,870 153.024,871 67.689,872 99.365,874 42.683,877 67.689,878 195.708,879 99.365,880 17.65,881 5.069,882 84.747,883 88.026,884 21.79,885 4.227,886 141.253,888 153.024,889 167.054,890 42.683,893 153.024,894 42.683,897 33.666,898 99.817,899 33.571,901 153.024,902 142.049,903 67.689,906 153.024,907 22.038,908 45.65,910 142.049,911 153.024,912 142.049,913 67.689,915 0.587,916 0.347,917 0.174,918 0.091,919 13,920 7,921 0.079,922 3,924 1,925 3.024,926 133.797,928 12,929 80.711,933 13.622,934 5.449,935 2.961,937 142.049,938 5.577,939 7.903,943 4.657,945 108.478,946 362.762,947 26,956 36.92,957 42.109,958 0.293,959 0.689,960 0.868,961 0.899,962 0.909,963 0.909,964 4.522,965 0.398,966 5.416,967 1.582,968 4.043,969 4.615,970 0.655,971 6.213,972 3.976,973 5.757,974 0.071,975 6.982,976 0.835,977 3.761,978 4.559,980 7.076,981 3.664,982 7.08,983 -0.455,984 8.641,985 0.134,986 5.638,987 6.842,988 0.356,989 10.125,990 5.52,991 8.434,992 -0.515,993 10.349,994 -1.146,995 6.089,996 7.499,998 11.72,999 5.941,1000 9.812,1001 -0.666,1002 12.087,1003 -1.242,1004 7.494,1005 9.32,1006 0.18,1007 14.31,1008 7.329,1009 11.207,1010 -1.157,1011 13.845,1012 -1.627,1013 8.281,1014 10.318,1016 16.236,1017 8.089,1018 12.616,1019 -1.347,1020 15.618,1021 -3.061,1022 9.499,1023 11.935,1024 0.087,1025 18.641,1026 9.291,1027 3.027,1028 -1.414,1029 17.403,1030 -3.485,1031 10.447,1032 13.112,1034 20.727,1035 10.215,1036 2.846,1037 9.623,1038 19.198,1039 -4.04,1040 11.588,1041 14.626,1042 0.041,1043 23.048,1044 11.339,1045 2.26,1046 8.808,1047 20.999,1048 4.084,1049 12.611,1050 15.899,1052 25.214,1053 12.341,1054 1.992,1055 6.611,1056 22.808,1057 3.872,1058 13.721,1059 17.358,1060 0.019,1061 27.497,1062 13.434,1063 1.966,1064 5.667,1065 24.621,1066 2.916,1067 14.78,1068 18.684,1070 29.702,1071 14.474,1072 1.414,1073 5.608,1074 26.44,1075 2.651,1076 15.878,1077 20.113,1078 0.009,1079 31.967,1080 15.555,1081 0.752,1082 3.658,1083 28.261,1084 2.543,1085 16.954,1086 21.469,1088 34.194,1089 16.613,1090 3021,1091 5083,1092 12.542,1093 23.807,1094 29.524,1095 29.984,1096 31.453,1097 29.459,1098 29.453,1099 38.772,1100 1.36,1101 85.052,1102 28.368,1103 5.162,1104 5.264,1105 5.9,1106 5.08,1107 5.027,1108 7.084,1109 1.36,1110 16.499,1111 4.977,1112 11.631,1113 1.476,1114 1.499,1115 1.573,1116 1.473,1117 1.473,1118 1.939,1119 0.068,1120 4.253,1121 1.418,1122 4.005,1123 4.035,1124 3.953,1125 3.938,1126 6.468,1127 3.937,1128 3.824,1129 3.874,1130 3.785,1131 3.669,1132 5.29,1133 3.692,1134 3.428,1135 3.508,1136 3.24,1137 3.286,1138 4.979,1139 3.264,1140 3.27,1141 3.347,1142 3.138,1143 3.096,1144 4.609,1145 3.097,1146 3.063,1147 3.181,1148 2.9,1149 2.812,1150 4.43,1151 2.814,1152 2.956,1153 3.059,1154 2.755,1155 2.656,1156 4.042,1157 2.676,1158 2.834,1159 2.915,1160 2.683,1161 2.559,1162 3.852,1163 2.581,1164 2.566,1165 2.654,1166 2.308,1167 2.312,1168 3.742,1169 2.285,1170 0.22,1171 0.163,1172 0.319,1173 0.201,1174 0.151,1175 4.394,1176 0.204,1177 3.264,1178 0.034,1179 6.378,1180 0.481,1181 4.011,1182 0.149,1183 3.027,1184 4.084,1185 0.68,1186 9.623,1187 2.977,1188 1.973,1189 1.951,1190 2.08,1191 2.065,1192 1.288,1193 2.069,1194 1.755,1195 1.71,1196 1.864,1197 1.94,1198 1.025,1199 1.919,1200 1.458,1201 1.383,1202 1.757,1203 1.652,1204 0.863,1205 1.695,1206 1.251,1207 1.18,1208 1.533,1209 1.481,1210 0.567,1211 1.503,1212 1.017,1213 0.924,1214 1.319,1215 1.352,1216 0.34,1217 1.352,1218 0.883,1219 0.776,1220 1.22,1221 1.238,1222 0.133,1223 1.251,1224 0.761,1225 0.671,1226 1.089,1227 1.097,1229 1.092,1230 0.569,1231 0.467,1232 0.989,1233 0.888,1235 0.91,1236 3.714,1238 5.03,1240 6.544,1242 8.148,1244 9.796,1246 3.903,1250 11.302,1251 9.913,1252 1.411,1262 22.488,1263 56.388,1264 132.776,1265 167.24,1266 173.24,1267 175.24,1268 175.24,1269 32.111,1270 6.17,1271 98.05,1272 98.05,1273 12,1274 11.986,1275 3.7,1276 2.807,1277 33.63,1278 55,1279 52,1280 0.311,1281 143.885,1282 241.19,1283 342.841,1284 3050,1286 13.991,1287 0.736,1288 0.586,1289 13.991,1290 11.143,1291 9.007,1292 0.45,1293 0.31,1294 6.125,1295 8.737,1296 5.885,1297 4.964,1298 9.007,1299 6.191,1300 8.233,1301 0.294,1302 0.164,1303 8.233,1304 4.589,1305 6.752,1306 0.193,1307 0.089,1308 6.752,1309 3.131,1310 5.181,1311 0.123,1312 0.05,1313 5.181,1314 2.095,1315 3.917,1316 0.078,1317 0.027,1318 3.917,1319 1.357,1320 0.474,1321 56.061,1322 0.282,1323 18.82,1324 0.884,1325 96,1326 260.064,1327 104.154,1328 261.92,1329 357.31,1330 242,1331 111,1332 267.002,1333 118.654,1334 275.349,1335 396.13,1336 257,1337 4.409}
{0 CHEMBL24503,1 1.469,2 8.727,3 3.732,4 13.927,5 92.344,6 6.782,7 0.522,8 3.848,9 3.992,10 3.306,11 3.36,12 5.001,13 3.322,14 4.325,15 4.521,16 3.626,17 3.728,18 5.392,19 3.653,20 4.567,21 4.78,22 3.717,23 3.877,24 5.594,25 3.788,26 4.707,27 4.946,28 3.658,29 3.904,30 5.753,31 3.791,32 4.667,33 4.899,34 3.602,35 3.898,36 5.677,37 3.769,38 4.727,39 4.996,40 3.496,41 3.851,42 5.653,43 3.704,44 4.616,45 4.89,46 3.434,47 3.751,48 5.504,49 3.591,50 4.585,51 4.885,52 3.313,53 3.567,54 5.66,55 3.418,56 0.068,57 0.645,58 10.019,59 3.8,60 14.393,61 5.472,62 0.168,63 0.968,64 16.573,65 6.737,66 20.539,67 9.489,68 0.125,69 1.157,70 21.448,71 7.896,72 24.865,73 11.609,74 0.319,75 1.222,76 25.625,77 8.815,78 51.577,79 12.791,80 0.182,81 1.198,82 24.103,83 8.856,84 41.879,85 12.935,86 0.294,87 1.185,88 26.419,89 8.861,90 49.118,91 13.234,92 0.115,93 1.092,94 23.044,95 8.335,96 27.569,97 12.679,98 0.407,99 0.999,100 23.48,101 6.438,102 63.335,103 10.606,104 34,105 31,106 0.258,107 0.648,108 0.835,109 0.875,110 0.883,111 0.883,112 3.147,113 0.96,114 -4.42,115 -4.35,116 -4.1,119 38.6,120 1,121 4,133 1,134 1,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 12,169 1,170 2,172 3,173 3,175 3,178 13,180 1,182 2,187 5,189 14,191 1,193 2,195 1,196 1,197 1,198 5,200 2,201 13,204 2,205 1,207 4,212 6,215 12,218 3,221 4,226 4,229 9,231 3,234 4,239 4,241 4,243 4,246 4,249 2,250 1,251 4,253 1,254 1,256 4,260 4,265 4,270 4,273 656,274 14.671,275 14.671,276 14.671,277 14.671,278 14.671,279 12.935,280 20.657,281 8.855,282 14.877,283 11.27,284 11.27,285 11.27,286 11.27,287 11.27,288 8.66,289 27.142,290 4.046,291 11.628,292 3.991,293 1.763,294 0.699,295 0.472,296 0.426,297 0.426,298 3.805,300 1,301 1,302 1,303 388,304 2.915,307 152.087,314 1.231,315 21.122,316 1,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 47,327 192,328 4.413,329 3.299,330 6.438,331 4.036,332 3.051,333 4.099,334 0.68,335 9.902,336 3.003,337 4.226,338 3.06,339 6.086,340 3.81,341 2.851,342 3.874,343 0.68,344 8.824,345 2.738,346 3.587,347 2.515,348 5.258,349 3.222,350 2.265,351 2.92,353 6.626,354 2.17,355 3.397,356 2.459,357 5.223,358 3.115,359 2.115,360 2.653,362 6.311,363 2.115,364 3.353,365 2.156,366 4.917,367 2.932,368 1.988,369 2.64,371 5.629,372 1.866,373 2.821,374 1.683,375 4.137,376 2.348,377 1.414,378 1.95,380 3.658,381 1.317,382 2.673,383 1.554,384 3.669,385 2.259,386 1.276,387 1.557,389 2.493,390 1.25,391 2.211,392 1.13,393 3.153,394 2,395 1,396 1.17,398 1.714,399 1,400 1.74,401 0.834,402 3.097,403 1.451,404 0.505,405 0.596,407 1.142,408 0.474,409 1.466,410 0.53,411 2.567,412 1.149,413 0.209,414 0.247,415 0.42,416 0.195,417 1.116,418 -0.081,419 2.535,420 0.746,421 -0.254,422 -0.324,423 -0.478,424 -0.254,425 0.816,426 -0.178,427 2.359,428 0.533,429 -0.446,430 -0.543,431 -0.893,432 -0.435,433 0.779,434 -0.314,435 2.1,436 0.392,437 -0.515,438 -0.621,439 -1.242,440 -0.467,441 0.471,442 -0.555,443 1.69,444 0.138,445 -0.823,446 -0.982,448 -1.83,449 -0.786,450 0.289,451 -0.896,452 1.627,454 -1,455 -1.33,457 -2.241,458 -1,459 10.433,460 0.474,461 0.541,462 0.025,463 27.75,464 1.261,465 14.5,466 0.659,467 13.25,468 0.602,469 17.551,470 0.798,471 24.367,472 0.554,473 19.741,474 0.897,475 5.385,476 0.245,477 5.16,478 0.235,479 0.204,481 0.335,485 1.114,486 1.186,487 0.96,488 1.016,489 1.222,490 0.972,491 0.458,492 0.961,493 0.808,494 1.059,495 0.492,496 0.995,497 0.866,498 1.2,499 0.948,500 1.163,501 0.808,502 1.079,503 1.313,504 0.898,505 1.082,506 0.994,507 1.31,508 1.019,509 1.006,510 1.16,511 1.102,512 1.221,513 0.972,514 1.188,515 1.242,516 0.924,517 1.049,518 0.947,519 1.262,520 0.983,521 0.49,522 1.258,523 0.866,524 1.207,525 0.567,526 1.106,527 0.946,528 0.92,529 0.975,530 0.868,531 0.928,532 0.907,533 5,534 0.058,535 2.444,536 1.813,537 1.498,538 0.583,539 0.628,540 0.358,541 0.214,542 0.143,543 4283,544 11092,545 1.944,546 50,547 11,548 5,550 1,551 5,555 1.65,556 1.784,557 3.127,558 2.689,560 1,562 1,564 64.621,565 1.469,566 3.697,567 4.76,568 4.988,569 5.033,570 5.033,571 2.504,572 3.789,573 4.43,574 3.248,575 750.376,576 7.635,577 8299.37,579 1,581 1,582 240.215,583 1.529,584 4.365,585 0.217,586 0.012,587 0.079,588 0.055,589 0.05,590 0.021,591 0.025,592 0.016,593 0.011,594 0.012,595 0.497,596 0.17,597 1,598 1.317,599 100.596,600 -0.163,601 0.073,602 -0.014,603 0.105,604 -0.225,605 0.072,606 0.264,607 0.172,608 0.124,609 0.038,610 0.166,611 0.053,612 -0.015,613 -0.126,614 -0.001,615 -0.102,616 -0.002,617 -0.053,618 -0.102,619 0.099,620 -0.094,621 0.012,622 -0.089,623 -0.036,624 -0.089,625 -0.152,626 -0.149,627 -0.174,628 -0.02,629 -0.171,630 -0.156,631 0.006,632 -0.067,633 0.04,634 -0.163,636 0.117,637 -0.329,638 0.07,639 -0.187,640 0.071,641 -0.085,642 0.175,643 0.014,644 0.036,645 0.018,646 0.139,647 0.013,648 1.494,649 4.319,650 0.545,651 17.438,652 0.993,653 1.135,654 3.193,655 10.197,656 0.644,657 3.178,658 3.466,659 3.689,660 3.912,661 4.111,662 4.094,663 4.127,664 4.19,665 4.143,666 4.06,667 5.338,668 0.603,669 298.43,670 3.178,671 4.691,672 5.517,673 6.382,674 7.232,675 8.102,676 8.961,677 9.833,678 10.696,679 11.568,680 9.1,684 2,690 2,695 3,696 2,700 7,702 12,711 2,715 1,718 44,719 13,720 1,721 23,723 45,724 17,725 10,726 4,727 2,729 2,730 2,734 1,739 4,741 12,742 5,744 1,745 1,749 1,754 1,757 22,758 5,759 5,760 5,764 4,769 1,770 1,776 1,781 2,794 1,795 1,802 2,806 1,810 22,811 2,815 1,816 4,829 2.3,831 1,836 12.333,837 7.85,838 5.083,839 2.621,840 2.333,841 1.361,842 0.941,843 5.393,844 8.786,845 3.434,846 4.007,847 4.527,848 5.066,849 5.585,850 5.714,851 5.917,852 6.294,853 6.554,854 6.802,855 0.833,856 33,857 8.086,859 3.298,860 7.803,861 15.364,863 12.139,865 2.303,866 50.667,869 1,870 200.109,871 89.176,872 99.365,874 42.683,877 89.176,878 242.792,879 99.365,880 8.825,881 25.905,882 94.223,883 88.026,884 21.79,885 4.227,886 188.338,888 200.109,889 188.541,890 42.683,893 200.109,894 42.683,897 29.91,898 115.584,899 43.047,901 200.109,902 142.049,903 89.176,906 200.109,907 27.107,908 46.301,910 157.816,911 200.109,912 142.049,913 89.176,915 0.565,916 0.331,917 0.184,918 0.105,919 13,920 7,921 0.133,922 6,924 1,925 3.301,926 163.273,928 12,929 98.107,933 16.308,934 7.275,935 3.993,937 142.049,938 5.643,939 7.976,943 4.656,945 108.478,946 431.333,947 30,948 3.745,952 1.787,956 43.687,957 49.939,958 0.269,959 0.677,960 0.872,961 0.914,962 0.922,963 0.922,964 4.644,965 1,966 5.501,967 2.493,968 4.143,969 4.691,970 1.047,971 6.29,972 4.083,973 5.851,974 0.505,975 7.052,976 1.714,977 3.761,978 4.559,980 7.135,981 3.664,982 7.154,983 0.209,984 8.701,985 1.142,986 5.714,987 6.88,988 0.618,989 10.213,990 5.604,991 8.494,992 -0.254,993 10.405,994 0.42,995 6.111,996 7.512,998 11.829,999 5.967,1000 9.863,1001 -0.446,1002 12.143,1003 -0.478,1004 7.559,1005 9.346,1006 0.333,1007 14.429,1008 7.404,1009 11.252,1010 -0.515,1011 13.903,1012 -0.893,1013 8.323,1014 10.338,1016 16.387,1017 8.138,1018 12.657,1019 -0.823,1020 15.68,1021 -1.242,1022 9.563,1023 11.959,1024 0.168,1025 18.803,1026 9.365,1027 3.051,1028 -1,1029 17.469,1030 -1.83,1031 10.503,1032 13.137,1034 20.923,1035 10.281,1036 2.851,1037 9.902,1038 19.269,1039 -2.241,1040 11.657,1041 14.653,1042 0.081,1043 23.261,1044 11.42,1045 2.265,1046 8.824,1047 21.076,1048 4.099,1049 12.681,1050 15.93,1052 25.461,1053 12.423,1054 2.115,1055 6.626,1056 22.891,1057 3.874,1058 13.799,1059 17.39,1060 0.038,1061 27.764,1062 13.525,1063 1.988,1064 6.311,1065 24.711,1066 2.92,1067 14.863,1068 18.721,1070 30.004,1071 14.571,1072 1.414,1073 5.629,1074 26.536,1075 2.653,1076 15.968,1077 20.152,1078 0.018,1079 32.293,1080 15.66,1081 1.276,1082 3.658,1083 28.364,1084 2.64,1085 17.051,1086 21.511,1088 34.553,1089 16.726,1090 4452,1091 7265,1092 14.622,1093 28.33,1094 33.688,1095 34.038,1096 35.43,1097 33.34,1098 33.348,1099 43.413,1100 2.72,1101 93.437,1102 32.258,1103 5.193,1104 5.299,1105 6.203,1106 5.105,1107 5.051,1108 7.099,1109 1.36,1110 16.847,1111 5.003,1112 13.107,1113 1.465,1114 1.48,1115 1.54,1116 1.45,1117 1.45,1118 1.888,1119 0.118,1120 4.062,1121 1.403,1122 4.017,1123 4.045,1124 3.964,1125 3.952,1126 6.468,1127 3.95,1128 3.831,1129 3.882,1130 3.791,1131 3.677,1132 5.29,1133 3.698,1134 3.581,1135 3.649,1136 3.416,1137 3.465,1138 4.979,1139 3.445,1140 3.465,1141 3.532,1142 3.306,1143 3.336,1144 4.734,1145 3.32,1146 3.203,1147 3.282,1148 3.079,1149 2.999,1150 4.554,1151 3.011,1152 3.019,1153 3.135,1154 2.872,1155 2.814,1156 4.422,1157 2.791,1158 2.953,1159 3.039,1160 2.757,1161 2.705,1162 4.088,1163 2.733,1164 2.851,1165 2.945,1166 2.71,1167 2.571,1168 3.748,1169 2.596,1170 0.192,1171 0.143,1172 0.28,1173 0.175,1174 0.133,1175 4.413,1176 0.178,1177 3.299,1178 0.03,1179 6.438,1180 0.431,1181 4.036,1182 0.131,1183 3.051,1184 4.099,1185 0.68,1186 9.902,1187 3.003,1188 1.983,1189 1.962,1190 2.09,1191 2.071,1192 1.329,1193 2.076,1194 1.764,1195 1.719,1196 1.9,1197 1.949,1198 1.123,1199 1.929,1200 1.611,1201 1.548,1202 1.855,1203 1.775,1204 0.983,1205 1.814,1206 1.475,1207 1.412,1208 1.7,1209 1.643,1210 0.724,1211 1.672,1212 1.152,1213 1.085,1214 1.41,1215 1.423,1216 0.498,1217 1.421,1218 0.992,1219 0.914,1220 1.329,1221 1.307,1222 0.307,1223 1.307,1224 0.915,1225 0.81,1226 1.238,1227 1.202,1228 0.142,1229 1.249,1230 0.789,1231 0.685,1232 1.139,1233 1.112,1235 1.121,1236 3.85,1238 5.142,1240 6.635,1242 8.229,1244 9.874,1246 2.088,1250 11.418,1251 10.319,1252 3.034,1262 26.542,1263 64.621,1264 162.651,1265 209.46,1266 219.46,1267 221.46,1268 221.46,1269 43.46,1270 6.454,1271 98.05,1272 98.05,1273 12,1274 12.111,1275 3.807,1276 3,1277 42.005,1278 69,1279 70,1280 0.301,1281 169.735,1282 290.45,1283 405.914,1284 4385,1286 16.113,1287 0.732,1288 0.584,1289 16.113,1290 12.841,1291 10.545,1292 0.458,1293 0.32,1294 7.296,1295 10.275,1296 7.064,1297 5.964,1298 10.545,1299 7.361,1300 9.185,1301 0.296,1302 0.172,1303 9.185,1304 5.321,1305 7.323,1306 0.188,1307 0.09,1308 7.323,1309 3.522,1310 5.969,1311 0.122,1312 0.051,1313 5.969,1314 2.496,1315 4.737,1316 0.079,1317 0.028,1318 4.737,1319 1.663,1320 0.461,1321 65.289,1322 0.262,1323 21.49,1324 0.859,1325 108,1326 280.064,1327 116.154,1328 283.327,1329 386.26,1330 262,1331 124,1332 287.002,1333 131.654,1334 296.125,1335 426.78,1336 277,1337 5.57}
{0 CHEMBL25817,1 1.496,2 8.05,3 3.21,4 10.305,5 83.098,6 6.81,7 0.571,8 3.762,9 3.907,10 3.223,11 3.26,12 4.908,13 3.227,14 4.245,15 4.447,16 3.559,17 3.633,18 5.318,19 3.565,20 4.464,21 4.673,22 3.654,23 3.777,24 5.513,25 3.7,26 4.593,27 4.815,28 3.55,29 3.797,30 5.686,31 3.686,32 4.61,33 4.862,34 3.396,35 3.763,36 5.546,37 3.614,38 4.566,39 4.852,40 3.264,41 3.657,42 5.42,43 3.488,44 4.478,45 4.792,46 3.238,47 3.489,48 5.309,49 3.331,50 4.255,51 4.529,52 3.08,53 3.224,54 5.464,55 3.11,56 0.064,57 0.595,58 9.178,59 3.381,60 12.388,61 4.931,62 0.162,63 0.89,64 15.338,65 6.103,66 19.119,67 8.647,68 0.111,69 1.049,70 19.308,71 6.931,72 21.368,73 10.288,74 0.291,75 1.095,76 22.735,77 7.685,78 48.357,79 11.172,80 0.236,81 1.065,82 23.219,83 7.954,84 42.36,85 11.873,86 0.204,87 0.991,88 22.368,89 7.354,90 33.877,91 11.446,92 0.134,93 0.866,94 20.662,95 6.628,96 24.79,97 10.594,98 0.355,99 0.724,100 16.906,101 3.832,102 53.514,103 6.797,104 30,105 29,106 0.269,107 0.626,108 0.762,109 0.78,110 0.78,111 0.78,112 3.058,113 0.965,114 -4.01,115 -3.96,116 -3.75,119 37.5,120 2,121 3,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 2,172 3,173 3,175 3,178 11,180 1,182 2,187 5,189 12,191 1,193 2,195 1,196 1,197 1,198 5,200 2,201 11,204 2,205 1,207 4,212 4,215 8,218 3,221 4,226 4,229 3,231 3,234 4,239 4,243 4,246 4,249 2,250 1,251 4,253 1,256 4,265 2,270 2,273 478,274 13.257,275 13.257,276 13.257,277 13.257,278 13.257,279 11.651,280 18.231,281 7.636,282 13.463,283 10.194,284 10.194,285 10.194,286 10.194,287 10.194,288 7.733,289 21.753,290 3.438,291 10.552,292 3.826,293 1.844,294 1.088,295 0.988,296 0.988,297 0.988,298 3.711,300 1,301 1,302 1,303 327,304 2.55,307 134.953,314 1.16,315 18.933,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 43,327 161,328 4.409,329 3.285,330 6.431,331 4.03,332 3.046,333 4.097,334 0.68,335 9.855,336 2.997,337 4.225,338 3.056,339 6.085,340 3.809,341 2.85,342 3.873,344 8.822,345 2.737,346 3.586,347 2.511,348 5.257,349 3.22,350 2.263,351 2.919,353 6.62,354 2.166,355 3.355,356 2.358,357 5.19,358 3.061,359 2.061,360 2.652,362 6.118,363 2.061,364 3.352,365 2.155,366 4.917,367 2.931,368 1.987,369 2.604,371 5.628,372 1.865,373 2.821,374 1.568,375 4.136,376 2.348,377 1.414,378 1.95,380 3.658,381 1.317,382 1.982,383 1.363,384 3.506,385 1.852,386 0.896,387 0.946,389 1.805,390 0.849,391 1.618,392 0.651,393 2.989,394 1.396,395 0.398,396 0.469,398 0.885,399 0.396,400 1.576,401 0.456,402 2.859,403 1.352,404 0.396,405 0.452,407 0.603,408 0.378,409 1.139,410 0.151,411 2.359,412 0.869,413 -0.079,414 -0.091,415 -0.142,416 -0.075,417 0.798,418 -0.314,419 2.332,420 0.394,421 -0.514,422 -0.621,423 -1.242,424 -0.466,425 0.65,426 -0.362,427 2.294,428 0.306,429 -0.654,430 -0.762,431 -1.622,432 -0.621,433 0.553,434 -0.61,435 1.907,436 0.301,437 -0.694,438 -0.878,439 -1.641,440 -0.694,441 0.08,442 -0.933,443 1.387,444 -0.236,445 -1.178,446 -1.463,448 -3.168,449 -1.099,450 -0.116,451 -1.116,452 1.352,453 -0.466,454 -1.414,455 -1.675,457 -3.903,458 -1.328,459 9.433,460 0.472,461 0.541,462 0.027,463 25.75,464 1.288,465 13.5,466 0.675,467 12.25,468 0.613,469 15.722,470 0.786,471 22.367,472 0.559,473 17.124,474 0.856,475 4.82,476 0.241,477 4.725,478 0.236,479 0.226,481 0.371,485 1.12,486 1.211,487 0.956,488 1.021,489 1.209,490 0.971,491 0.443,492 0.914,493 0.743,494 1.005,495 0.457,496 0.933,497 0.878,498 1.213,499 0.925,500 1.16,501 0.806,502 1.063,503 1.38,504 1.033,505 1.229,506 1.166,507 1.413,508 1.191,509 1.134,510 1.085,511 1.14,512 1.144,513 1.163,514 1.159,515 0.795,516 1.017,517 0.988,518 1.047,519 0.8,520 1.045,521 0.469,522 1.068,523 0.617,524 0.929,525 0.466,526 0.815,527 1.237,528 1.141,529 1.21,530 1.037,531 1.167,532 1.093,533 5,535 2.444,536 1.813,537 1.338,538 0.528,539 0.507,540 0.326,541 0.164,542 0.123,543 3301,544 8631,545 1.938,546 50,547 12,548 2,550 1,551 5,555 1.62,556 1.765,557 3.013,558 2.819,560 1,562 1,564 59.835,565 1.496,566 3.478,567 4.234,568 4.334,569 4.334,570 4.334,571 2.441,572 3.784,573 4.296,574 3.138,575 596.265,576 7.351,577 6093.63,578 1,579 1,580 1,581 1,582 212.877,583 1.559,584 4.219,585 0.238,587 0.084,588 0.058,589 0.051,590 0.024,591 0.027,592 0.017,593 0.012,594 0.02,595 0.532,596 0.33,597 1,598 1.048,599 87.987,600 -0.176,601 0.069,602 -0.015,603 0.114,604 -0.225,605 0.079,606 0.273,607 0.225,608 0.186,609 0.102,610 0.199,611 0.121,612 -0.024,613 -0.115,614 0.018,615 -0.083,616 0.009,617 -0.031,618 -0.154,619 0.003,620 -0.249,621 -0.143,622 -0.133,623 -0.204,624 -0.153,625 -0.125,626 -0.181,627 -0.121,628 -0.139,629 -0.156,630 -0.043,631 -0.094,632 -0.038,633 -0.061,634 -0.059,635 -0.051,636 0.187,637 -0.229,638 0.337,639 0.037,640 0.173,641 0.182,642 0.128,643 -0.137,644 -0.174,645 -0.195,646 0.128,647 -0.218,648 1.486,649 4.104,650 0.6,651 13.7,652 0.995,653 1.138,654 2.78,655 7.731,656 0.639,657 3.091,658 3.401,659 3.638,660 3.829,661 4.007,662 3.951,663 3.989,664 3.97,665 3.932,666 3.892,667 4.962,668 0.6,669 272.39,670 3.091,671 4.615,672 5.451,673 6.319,674 7.172,675 8.042,676 8.902,677 9.771,678 10.634,679 11.503,680 10,684 2,690 2,695 3,696 2,700 7,702 12,711 2,715 1,718 40,719 12,720 1,721 21,723 41,724 15,725 10,726 4,727 2,729 2,730 2,734 2,739 3,741 10,742 5,753 1,754 1,757 20,758 5,759 5,760 5,764 4,769 1,770 1,776 1,781 2,802 2,806 2,810 20,811 2,815 1,816 3,829 2.5,831 1,836 11.333,837 7.517,838 4.583,839 2.538,840 2.26,841 1.36,842 0.942,843 4.452,844 8.531,845 3.332,846 3.951,847 4.494,848 5.007,849 5.515,850 5.596,851 5.792,852 6.088,853 6.411,854 6.683,855 1,856 31,857 7.352,859 3.01,860 7.808,861 13.97,863 11.064,865 2.308,866 46.167,867 0.001,870 176.567,871 70.223,872 99.365,874 42.683,877 70.223,878 219.25,879 99.365,880 17.65,881 7.604,882 84.747,883 88.026,884 21.79,885 4.227,886 164.795,888 176.567,889 169.589,890 42.683,893 176.567,894 42.683,897 36.201,898 99.817,899 33.571,901 176.567,902 142.049,903 70.223,906 176.567,907 24.573,908 45.65,910 142.049,911 176.567,912 142.049,913 70.223,915 0.578,916 0.351,917 0.183,918 0.096,919 13,920 7,921 0.098,922 4,924 1,925 3.105,926 143.998,928 12,929 78.439,933 14.601,934 6.098,935 3.217,937 142.049,938 5.663,939 7.944,943 4.83,945 108.478,946 388.839,947 27,956 39.803,957 45.524,958 0.281,959 0.653,960 0.796,961 0.814,962 0.814,963 0.814,964 4.554,965 0.398,966 5.451,967 1.805,968 4.078,969 4.635,970 0.655,971 6.252,972 4.013,973 5.779,974 0.396,975 7.017,976 0.885,977 3.761,978 4.559,980 7.135,981 3.664,982 7.099,983 -0.079,984 8.676,985 0.603,986 5.673,987 6.857,988 0.356,989 10.187,990 5.559,991 8.453,992 -0.514,993 10.386,994 -0.142,995 6.111,996 7.512,998 11.813,999 5.967,1000 9.831,1001 -0.654,1002 12.128,1003 -1.242,1004 7.531,1005 9.335,1006 0.18,1007 14.402,1008 7.372,1009 11.228,1010 -0.694,1011 13.891,1012 -1.622,1013 8.316,1014 10.335,1016 16.361,1017 8.13,1018 12.638,1019 -1.178,1020 15.669,1021 -1.641,1022 9.541,1023 11.952,1024 0.087,1025 18.771,1026 9.339,1027 3.046,1028 -1.414,1029 17.459,1030 -3.168,1031 10.491,1032 13.133,1034 20.889,1035 10.266,1036 2.85,1037 9.855,1038 19.258,1039 -3.903,1040 11.638,1041 14.647,1042 0.041,1043 23.222,1044 11.396,1045 2.263,1046 8.822,1047 21.066,1048 4.097,1049 12.665,1050 15.924,1052 25.418,1053 12.404,1054 2.061,1055 6.62,1056 22.88,1057 3.873,1058 13.78,1059 17.384,1060 0.019,1061 27.717,1062 13.502,1063 1.987,1064 6.118,1065 24.699,1066 2.919,1067 14.844,1068 18.714,1070 29.951,1071 14.548,1072 1.414,1073 5.628,1074 26.524,1075 2.652,1076 15.947,1077 20.145,1078 0.009,1079 32.236,1080 15.635,1081 0.896,1082 3.658,1083 28.352,1084 2.604,1085 17.029,1086 21.504,1088 34.491,1089 16.7,1090 3434,1091 5647,1092 13.235,1093 25.569,1094 30.706,1095 31.05,1096 33.028,1097 30.685,1098 30.622,1099 39.923,1100 1.36,1101 87.984,1102 29.536,1103 5.18,1104 5.285,1105 5.961,1106 5.1,1107 5.046,1108 7.097,1109 1.36,1110 16.776,1111 4.997,1112 12.132,1113 1.462,1114 1.479,1115 1.573,1116 1.461,1117 1.458,1118 1.901,1119 0.065,1120 4.19,1121 1.406,1122 4.012,1123 4.041,1124 3.959,1125 3.945,1126 6.468,1127 3.944,1128 3.828,1129 3.879,1130 3.788,1131 3.673,1132 5.29,1133 3.695,1134 3.478,1135 3.557,1136 3.284,1137 3.342,1138 4.979,1139 3.318,1140 3.359,1141 3.439,1142 3.205,1143 3.199,1144 4.602,1145 3.188,1146 3.137,1147 3.236,1148 2.963,1149 2.902,1150 4.429,1151 2.907,1152 2.997,1153 3.106,1154 2.836,1155 2.672,1156 4.069,1157 2.702,1158 2.84,1159 2.925,1160 2.701,1161 2.565,1162 3.951,1163 2.584,1164 2.72,1165 2.81,1166 2.498,1167 2.559,1168 3.744,1169 2.538,1170 0.21,1171 0.156,1172 0.306,1173 0.192,1174 0.145,1175 4.409,1176 0.195,1177 3.285,1178 0.032,1179 6.431,1180 0.469,1181 4.03,1182 0.143,1183 3.046,1184 4.097,1185 0.68,1186 9.855,1187 2.997,1188 1.979,1189 1.957,1190 2.088,1191 2.07,1192 1.312,1193 2.074,1194 1.759,1195 1.714,1196 1.869,1197 1.945,1198 1.029,1199 1.924,1200 1.513,1201 1.44,1202 1.822,1203 1.702,1204 1.012,1205 1.748,1206 1.363,1207 1.288,1208 1.639,1209 1.573,1210 0.691,1211 1.605,1212 1.086,1213 1.006,1214 1.351,1215 1.393,1216 0.367,1217 1.388,1218 0.896,1219 0.787,1220 1.226,1221 1.281,1222 0.249,1223 1.279,1224 0.761,1225 0.676,1226 1.125,1227 1.102,1228 0.072,1229 1.097,1230 0.76,1231 0.67,1232 1.083,1233 0.979,1235 1.034,1236 3.761,1238 5.069,1240 6.581,1242 8.186,1244 9.838,1246 4.053,1250 11.357,1251 10.104,1252 2.215,1262 24.015,1263 59.835,1264 139.103,1265 169.367,1266 173.367,1267 173.367,1268 173.367,1269 35.755,1270 6.271,1271 98.05,1272 98.05,1273 12,1274 12.048,1275 3.7,1276 2.807,1277 36.32,1278 59,1279 58,1280 0.31,1281 153.478,1282 258.49,1283 366.246,1284 3455,1286 14.698,1287 0.735,1288 0.592,1289 14.698,1290 11.85,1291 9.545,1292 0.455,1293 0.322,1294 6.686,1295 9.275,1296 6.45,1297 5.437,1298 9.545,1299 6.752,1300 8.424,1301 0.29,1302 0.165,1303 8.424,1304 4.785,1305 7.053,1306 0.191,1307 0.092,1308 7.053,1309 3.401,1310 5.542,1311 0.123,1312 0.05,1313 5.542,1314 2.264,1315 4.226,1316 0.078,1317 0.028,1318 4.226,1319 1.538,1320 0.473,1321 59.289,1322 0.275,1323 19.684,1324 0.885,1325 100,1326 264.064,1327 108.154,1328 265.658,1329 364.01,1330 246,1331 116,1332 273.002,1333 123.654,1334 280.476,1335 405.57,1336 263,1337 4.796}
{0 CHEMBL25888,1 1.47,2 8.619,3 3.666,4 13.442,5 87.699,6 6.661,7 0.545,8 3.827,9 3.974,10 3.268,11 3.325,12 4.946,13 3.286,14 4.323,15 4.529,16 3.597,17 3.701,18 5.362,19 3.623,20 4.555,21 4.776,22 3.688,23 3.846,24 5.561,25 3.756,26 4.673,27 4.907,28 3.609,29 3.867,30 5.717,31 3.751,32 4.667,33 4.91,34 3.511,35 3.853,36 5.615,37 3.711,38 4.686,39 4.964,40 3.396,41 3.786,42 5.555,43 3.624,44 4.601,45 4.899,46 3.349,47 3.665,48 5.419,49 3.496,50 4.496,51 4.792,52 3.196,53 3.451,54 5.573,55 3.3,56 0.068,57 0.633,58 10.037,59 3.717,60 12.701,61 5.46,62 0.173,63 0.952,64 16.824,65 6.687,66 20.62,67 9.528,68 0.13,69 1.126,70 21.469,71 7.686,72 23.705,73 11.505,74 0.309,75 1.171,76 24.836,77 8.415,78 49.428,79 12.359,80 0.219,81 1.152,82 24.434,83 8.595,84 40.157,85 12.783,86 0.259,87 1.111,88 25.235,89 8.333,90 40.922,91 12.775,92 0.134,93 1.01,94 22.911,95 7.792,96 24.81,97 12.208,98 0.391,99 0.887,100 21.446,101 5.474,102 58.204,103 9.377,104 31,105 30,106 0.261,107 0.615,108 0.79,109 0.856,110 0.865,111 0.873,112 3.103,113 0.989,114 -4.26,115 -4.2,116 -3.97,119 37.2,120 2,121 4,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 11,169 1,170 2,172 3,173 3,175 3,178 12,180 1,182 2,187 5,189 13,191 1,193 2,195 1,196 1,197 1,198 5,200 2,201 12,204 2,205 1,207 4,212 5,215 10,218 3,221 4,226 4,229 6,231 3,234 4,239 4,241 2,243 4,246 4,249 2,250 1,251 4,253 1,256 4,260 2,265 3,270 3,273 564,274 13.964,275 13.964,276 13.964,277 13.964,278 13.964,279 12.358,280 18.231,281 8.245,282 14.17,283 10.732,284 10.732,285 10.732,286 10.732,287 10.732,288 8.294,289 21.753,290 3.742,291 11.09,292 3.956,293 1.955,294 0.965,295 0.593,296 0.547,297 0.5,298 3.759,300 1,301 1,302 1,303 367,304 2.739,307 143.52,314 1.197,315 19.607,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 45,327 181,328 4.411,329 3.288,330 6.434,331 4.033,332 3.049,333 4.097,334 0.68,335 9.879,336 3,337 4.225,338 3.056,339 6.086,340 3.809,341 2.85,342 3.874,344 8.823,345 2.738,346 3.586,347 2.511,348 5.258,349 3.221,350 2.264,351 2.919,353 6.623,354 2.169,355 3.369,356 2.38,357 5.206,358 3.089,359 2.089,360 2.652,362 6.216,363 2.089,364 3.352,365 2.155,366 4.917,367 2.932,368 1.987,369 2.615,371 5.628,372 1.866,373 2.821,374 1.572,375 4.136,376 2.348,377 1.414,378 1.95,380 3.658,381 1.317,382 2.243,383 1.45,384 3.598,385 2.165,386 1.181,387 1.232,389 2.263,390 1.159,391 1.821,392 0.89,393 3.112,394 1.645,395 0.676,396 0.745,398 1.296,399 0.651,400 1.61,401 0.625,402 2.926,403 1.357,404 0.398,405 0.467,407 0.819,408 0.38,409 1.273,410 0.279,411 2.554,412 1.02,413 0.065,414 0.074,415 0.116,416 0.061,417 0.869,418 -0.147,419 2.359,420 0.619,421 -0.368,422 -0.427,423 -0.71,424 -0.363,425 0.796,426 -0.314,427 2.321,428 0.393,429 -0.514,430 -0.621,431 -1.242,432 -0.466,433 0.577,434 -0.423,435 2,436 0.303,437 -0.664,438 -0.788,439 -1.626,440 -0.638,441 0.3,442 -0.817,443 1.651,444 0.069,445 -0.919,446 -1.089,448 -2.04,449 -0.907,450 0.068,451 -0.94,452 1.38,453 -0.249,454 -1.187,455 -1.477,457 -3.194,458 -1.105,459 9.933,460 0.473,461 0.541,462 0.026,463 26.25,464 1.25,465 13.5,466 0.643,467 12.75,468 0.607,469 17.465,470 0.832,471 23.667,472 0.55,473 17.576,474 0.837,475 4.82,476 0.23,477 5.225,478 0.249,479 0.215,481 0.352,485 1.113,486 1.228,487 0.978,488 1.052,489 1.196,490 1.002,491 0.444,492 0.949,493 0.781,494 1.042,495 0.451,496 0.973,497 0.85,498 1.19,499 0.917,500 1.142,501 0.784,502 1.052,503 1.336,504 0.977,505 1.15,506 1.086,507 1.381,508 1.107,509 1.113,510 1.141,511 1.138,512 1.199,513 1.136,514 1.189,515 1.059,516 0.985,517 1.039,518 1.014,519 1.077,520 1.031,521 0.467,522 1.166,523 0.752,524 1.081,525 0.463,526 0.974,527 1.018,528 1.025,529 1.068,530 0.968,531 0.996,532 1.006,533 5,534 0.029,535 2.444,536 1.813,537 1.418,538 0.556,539 0.588,540 0.326,541 0.189,542 0.133,543 3778,544 9432,545 1.941,546 51.2,547 14,548 2,550 1,551 5,555 1.635,556 1.775,557 3.097,558 2.751,560 1,562 1,564 63.222,565 1.47,566 3.471,567 4.461,568 4.833,569 4.88,570 4.926,571 2.475,572 4.202,573 4.364,574 3.205,575 673.1,576 7.495,577 7150.56,579 1,581 1,582 233.329,583 1.545,584 4.294,585 0.227,586 0.007,587 0.081,588 0.057,589 0.051,590 0.022,591 0.027,592 0.016,593 0.012,594 0.015,595 0.514,596 0.17,597 1,598 1.234,599 94.283,600 -0.163,601 0.065,602 -0.012,603 0.104,604 -0.202,605 0.072,606 0.269,607 0.194,608 0.16,609 0.073,610 0.203,611 0.092,612 -0.005,613 -0.106,614 0.037,615 -0.067,616 0.023,617 -0.013,618 -0.119,619 0.049,620 -0.161,621 -0.063,622 -0.113,623 -0.113,624 -0.131,625 -0.143,626 -0.177,627 -0.155,628 -0.108,629 -0.173,630 -0.112,631 -0.052,632 -0.073,633 -0.023,634 -0.118,635 -0.043,636 0.15,637 -0.277,638 0.184,639 -0.085,640 0.139,641 0.032,642 0.162,643 -0.079,644 -0.056,645 -0.097,646 0.127,647 -0.101,648 1.483,649 4.236,650 0.571,651 15.469,652 0.993,653 1.138,654 3.03,655 9.18,656 0.636,657 3.135,658 3.434,659 3.664,660 3.871,661 4.06,662 4.025,663 4.06,664 4.078,665 4.043,666 3.97,667 5.163,668 0.594,669 286.42,670 3.135,671 4.654,672 5.485,673 6.351,674 7.203,675 8.072,676 8.932,677 9.802,678 10.665,679 11.536,680 9.3,684 2,690 2,695 3,696 2,700 7,702 12,711 2,715 1,718 43,719 12,720 1,721 22,723 44,724 16,725 10,726 4,727 2,729 2,730 2,734 2,739 4,741 10,742 6,753 1,754 1,757 22,758 5,759 5,760 5,764 4,769 1,770 1,776 1,781 2,802 2,806 2,810 21,811 2,815 1,816 4,829 2.3,831 1,836 11.833,837 8.017,838 4.833,839 2.788,840 2.258,841 1.355,842 0.939,843 5.021,844 8.623,845 3.367,846 3.97,847 4.505,848 5.027,849 5.539,850 5.637,851 5.835,852 6.158,853 6.461,854 6.72,855 0.833,856 32,857 7.734,859 3.157,860 7.77,861 14.787,863 11.731,865 2.27,866 47.667,869 1,870 200.109,871 72.758,872 99.365,874 42.683,877 72.758,878 242.792,879 99.365,880 17.65,881 10.138,882 84.747,883 88.026,884 21.79,885 4.227,886 188.338,888 200.109,889 172.123,890 42.683,893 200.109,894 42.683,897 38.735,898 99.817,899 33.571,901 200.109,902 142.049,903 72.758,906 200.109,907 27.107,908 45.65,910 142.049,911 200.109,912 142.049,913 72.758,915 0.571,916 0.34,917 0.183,918 0.101,919 13,920 7,921 0.114,922 5,924 1,925 3.205,926 153.502,928 12,929 92.239,933 15.581,934 6.767,935 3.643,937 142.049,938 5.716,939 7.976,943 4.915,945 108.478,946 414.915,947 28,956 42.687,957 48.939,958 0.271,959 0.64,960 0.822,961 0.891,962 0.899,963 0.908,964 4.585,965 0.676,966 5.476,967 2.263,968 4.111,969 4.654,970 0.655,971 6.271,972 4.049,973 5.801,974 0.398,975 7.034,976 1.296,977 3.761,978 4.559,980 7.135,981 3.664,982 7.115,983 0.065,984 8.689,985 0.819,986 5.694,987 6.863,988 0.356,989 10.2,990 5.582,991 8.463,992 -0.368,993 10.396,994 0.116,995 6.111,996 7.512,998 11.821,999 5.967,1000 9.839,1001 -0.514,1002 12.135,1003 -0.71,1004 7.545,1005 9.338,1006 0.18,1007 14.416,1008 7.388,1009 11.234,1010 -0.664,1011 13.897,1012 -1.242,1013 8.319,1014 10.336,1016 16.374,1017 8.134,1018 12.643,1019 -0.919,1020 15.674,1021 -1.626,1022 9.552,1023 11.954,1024 0.087,1025 18.787,1026 9.352,1027 3.049,1028 -1.187,1029 17.464,1030 -2.04,1031 10.497,1032 13.134,1034 20.906,1035 10.274,1036 2.85,1037 9.879,1038 19.264,1039 -3.194,1040 11.647,1041 14.649,1042 0.041,1043 23.241,1044 11.408,1045 2.264,1046 8.823,1047 21.071,1048 4.097,1049 12.673,1050 15.926,1052 25.439,1053 12.413,1054 2.089,1055 6.623,1056 22.885,1057 3.874,1058 13.79,1059 17.386,1060 0.019,1061 27.741,1062 13.514,1063 1.987,1064 6.216,1065 24.705,1066 2.919,1067 14.854,1068 18.716,1070 29.978,1071 14.559,1072 1.414,1073 5.628,1074 26.53,1075 2.652,1076 15.958,1077 20.147,1078 0.009,1079 32.265,1080 15.648,1081 1.181,1082 3.658,1083 28.358,1084 2.615,1085 17.04,1086 21.506,1088 34.522,1089 16.713,1090 3928,1091 6315,1092 13.929,1093 27.33,1094 31.97,1095 32.434,1096 34.255,1097 31.968,1098 31.945,1099 41.25,1100 1.36,1101 90.642,1102 30.859,1103 5.19,1104 5.288,1105 6.197,1106 5.102,1107 5.049,1108 7.097,1109 1.36,1110 16.812,1111 5,1112 12.623,1113 1.453,1114 1.474,1115 1.557,1116 1.453,1117 1.452,1118 1.875,1119 0.062,1120 4.12,1121 1.403,1122 4.015,1123 4.044,1124 3.962,1125 3.949,1126 6.468,1127 3.947,1128 3.83,1129 3.881,1130 3.79,1131 3.675,1132 5.29,1133 3.697,1134 3.559,1135 3.634,1136 3.373,1137 3.427,1138 4.979,1139 3.404,1140 3.394,1141 3.474,1142 3.223,1143 3.241,1144 4.601,1145 3.225,1146 3.184,1147 3.269,1148 3.031,1149 2.975,1150 4.429,1151 2.98,1152 3.018,1153 3.133,1154 2.868,1155 2.74,1156 4.108,1157 2.747,1158 2.886,1159 2.99,1160 2.713,1161 2.648,1162 3.991,1163 2.651,1164 2.828,1165 2.908,1166 2.629,1167 2.559,1168 3.746,1169 2.58,1170 0.2,1171 0.149,1172 0.292,1173 0.183,1174 0.139,1175 4.411,1176 0.186,1177 3.288,1178 0.031,1179 6.434,1180 0.449,1181 4.033,1182 0.136,1183 3.049,1184 4.097,1185 0.68,1186 9.879,1187 3,1188 1.982,1189 1.96,1190 2.093,1191 2.072,1192 1.334,1193 2.077,1194 1.763,1195 1.717,1196 1.9,1197 1.949,1198 1.129,1199 1.929,1200 1.589,1201 1.52,1202 1.856,1203 1.769,1204 1.025,1205 1.81,1206 1.408,1207 1.333,1208 1.684,1209 1.61,1210 0.764,1211 1.646,1212 1.14,1213 1.068,1214 1.41,1215 1.416,1216 0.502,1217 1.416,1218 0.947,1219 0.849,1220 1.289,1221 1.305,1222 0.339,1223 1.307,1224 0.872,1225 0.769,1226 1.218,1227 1.165,1228 0.153,1229 1.206,1230 0.761,1231 0.671,1232 1.089,1233 1.093,1235 1.091,1236 3.807,1238 5.106,1240 6.608,1242 8.208,1244 9.856,1246 4.138,1250 11.401,1251 10.236,1252 3.286,1262 25.542,1263 63.222,1264 149.272,1265 191.82,1266 207.82,1267 209.82,1268 211.82,1269 39.466,1270 6.365,1271 98.05,1272 98.05,1273 12,1274 12.08,1275 3.7,1276 2.807,1277 39.124,1278 64,1279 64,1280 0.305,1281 163.07,1282 275.79,1283 389.651,1284 3911,1286 15.405,1287 0.734,1288 0.598,1289 15.405,1290 12.557,1291 10.045,1292 0.457,1293 0.33,1294 7.186,1295 9.775,1296 6.938,1297 5.865,1298 10.045,1299 7.252,1300 8.805,1301 0.293,1302 0.173,1303 8.805,1304 5.182,1305 7.188,1306 0.189,1307 0.093,1308 7.188,1309 3.539,1310 5.756,1311 0.122,1312 0.052,1313 5.756,1314 2.454,1315 4.482,1316 0.079,1317 0.029,1318 4.482,1319 1.657,1320 0.466,1321 62.289,1322 0.268,1323 20.602,1324 0.869,1325 104,1326 268.064,1327 112.154,1328 269.903,1329 369.81,1330 250,1331 120,1332 277.002,1333 127.654,1334 284.814,1335 411.8,1336 267,1337 5.352}
{0 CHEMBL26006,1 1.497,2 10.208,3 2.007,4 4.028,5 93.17,6 8.138,7 0.815,8 3.802,9 3.939,10 3.445,11 3.35,12 5.017,13 3.358,14 4.252,15 4.415,16 3.808,17 3.722,18 5.467,19 3.71,20 4.471,21 4.673,22 3.861,23 3.823,24 5.621,25 3.792,26 4.472,27 4.69,28 3.71,29 3.757,30 5.613,31 3.69,32 4.447,33 4.69,34 3.489,35 3.663,36 5.467,37 3.566,38 4.354,39 4.624,40 3.323,41 3.515,42 5.335,43 3.404,44 4.167,45 4.434,46 3.299,47 3.384,48 5.138,49 3.31,50 3.97,51 4.183,52 3.3,53 3.306,54 5.104,55 3.265,56 0.066,57 0.673,58 6.814,59 2.722,60 11.352,61 3.447,62 0.182,63 1.026,64 11.597,65 4.805,66 20.462,67 6.298,68 0.272,69 1.207,70 16.205,71 5.78,72 27.698,73 7.832,74 0.286,75 1.157,76 16.83,77 6.167,78 33.613,79 8.472,80 0.231,81 1.06,82 17.659,83 6.025,84 31.972,85 8.474,86 0.284,87 0.927,88 17.484,89 5.709,90 33.54,91 8.224,92 0.172,93 0.781,94 14.6,95 4.741,96 22.579,97 6.923,98 0.135,99 0.704,100 10.164,101 3.521,102 18.211,103 4.852,104 5,105 38,106 0.261,107 0.613,108 0.747,109 0.835,110 0.878,111 0.896,112 3.228,113 0.83,114 -3.99,115 -3.94,116 -3.73,119 43.6,125 1,139 7,140 2,141 1,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 9,169 2,172 3,173 3,175 2,178 11,181 3,184 1,185 2,187 3,189 9,192 1,195 3,196 4,197 1,198 3,200 2,201 5,205 1,207 2,209 1,210 1,212 1,215 2,221 5,224 2,225 1,228 1,234 6,246 8,250 1,251 2,253 1,256 2,260 7,265 3,270 3,273 722,274 16.447,275 16.447,276 16.447,277 16.447,278 16.447,279 13.824,280 16.037,281 9.694,282 16.79,283 13.353,284 13.353,285 13.353,286 13.353,287 13.353,288 9.446,289 23.348,290 4.613,291 13.941,292 3.788,293 1.776,294 1.004,295 0.5,296 0.256,297 0.154,298 3.932,300 1,301 1,302 1,303 544,304 2.449,307 226.72,311 193.163,314 1.458,315 18.708,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51.5,327 245,328 4.542,329 3.141,330 6.508,331 4.033,332 3.081,333 4.491,334 0.657,335 10.202,336 3.005,337 4.492,338 3.072,339 6.5,340 4.009,341 3.028,342 4.429,344 10.168,345 2.897,346 3.777,347 2.647,348 5.339,349 3.37,350 2.423,351 3.237,353 6.929,354 2.296,355 3.509,356 2.231,357 5.172,358 3.075,359 2.117,360 2.906,362 6.198,363 2.035,364 3.427,365 2.134,366 5.062,367 2.956,368 2.023,369 2.811,371 5.8,372 1.877,373 3.358,374 2.025,375 4.966,376 2.871,377 1.941,378 2.686,380 5.732,381 1.797,382 3.118,383 1.618,384 4.167,385 2.618,386 1.618,387 2.427,389 3.801,390 1.618,391 2.77,392 1.29,393 3.71,394 2.275,395 1.277,396 1.904,398 2.853,399 1.274,400 2.458,401 1.154,402 3.601,403 2.007,404 1.041,405 1.441,407 2.565,408 1.003,409 2.41,410 1.057,411 3.419,412 1.913,413 1,414 1.376,415 2.369,416 0.912,417 1.881,418 0.726,419 3.125,420 1.548,421 0.592,422 0.745,423 1.402,424 0.565,425 1.391,426 0.179,427 2.733,428 0.957,429 0.034,430 0.045,431 0.086,432 0.032,433 1.028,434 -0.238,435 2.569,436 0.594,437 -0.366,438 -0.485,439 -0.925,440 -0.349,441 0.951,442 -0.307,443 2.448,444 0.458,445 -0.459,446 -0.59,448 -1.169,449 -0.421,450 0.882,451 -0.618,452 2.301,453 0.382,454 -0.618,455 -0.927,457 -1.478,458 -0.618,459 11.3,460 0.471,461 0.554,462 0.023,463 38,464 1.583,465 21.5,466 0.896,467 16.5,468 0.688,469 13.857,470 0.577,471 24.1,472 0.618,473 25.704,474 1.071,475 7.535,476 0.314,477 4.169,478 0.174,479 0.071,481 0.354,485 1.147,486 1.199,487 0.756,488 0.85,489 1.277,490 0.758,491 0.655,492 1.029,493 0.752,494 0.978,495 0.54,496 0.9,497 0.92,498 0.996,499 0.923,500 0.972,501 0.806,502 0.952,503 0.792,504 1.002,505 1.073,506 1.164,507 0.681,508 1.165,509 1.082,510 1.061,511 1.195,512 1.164,513 1.074,514 1.192,515 0.933,516 0.778,517 1.076,518 0.954,519 1.009,520 1.023,521 0.931,522 0.89,523 0.786,524 0.782,525 0.766,526 0.764,527 1.049,528 1.056,529 0.935,530 0.957,531 1.004,532 0.933,533 4.5,534 0.103,535 2.667,536 1.5,537 1.493,538 0.444,539 0.283,540 0.236,541 0.209,542 0.177,543 6919,544 18731,545 2.161,546 38.5,548 9,550 1,551 5,555 1.665,556 2.057,557 3.309,558 2.661,559 1,560 1,562 1,564 58.389,565 1.497,566 3.509,567 4.281,568 4.785,569 5.029,570 5.132,571 2.709,572 4.054,573 4.563,574 3.451,575 952.501,576 7.851,577 11218.6,578 1,579 1,581 1,582 206.131,583 1.281,584 4.532,585 0.167,586 0.006,587 0.07,588 0.038,589 0.047,590 0.018,591 0.013,592 0.011,593 0.009,594 0.009,595 0.389,596 0.33,597 1,598 0.49,599 114.344,600 -0.23,601 -0.049,602 0.009,603 0.089,604 -0.331,605 0.089,606 0.253,607 0.067,608 0.07,609 -0.022,610 0.213,611 -0.009,612 0.095,613 0.051,614 -0.017,615 -0.027,616 0.035,617 -0.038,618 0.176,619 -0.001,620 -0.134,621 -0.2,622 0.197,623 -0.216,624 -0.143,625 -0.117,626 -0.205,627 -0.179,628 -0.143,629 -0.198,630 0.032,631 0.124,632 -0.023,633 0.045,634 -0.07,635 0.01,636 -0.022,638 0.268,639 0.237,640 0.066,641 0.289,642 -0.079,643 -0.047,644 -0.002,645 0.007,646 -0.038,647 0.014,648 1.573,649 1.854,650 0.833,651 17.924,652 1.006,653 1.132,654 2.758,655 7.607,656 0.695,657 3.332,658 3.664,659 3.951,660 4.234,661 4.477,662 4.466,663 4.543,664 4.635,665 4.779,666 4.754,667 6.008,668 0.673,669 317.39,670 3.332,671 4.875,672 5.733,673 6.616,674 7.487,675 8.372,676 9.247,677 10.131,678 11.008,679 11.891,680 17.9,684 2,685 1,690 4,694 4,695 8,696 4,700 4,702 22,711 2,712 1,718 39,719 22,720 2,721 27,723 42,724 17,725 16,726 3,727 7,729 4,730 6,741 16,742 1,753 1,754 1,757 15,758 7,759 5,760 7,764 7,769 0.5,774 1,776 1,781 4,785 2,802 2,810 24,811 2,816 1,817 1,836 11.667,837 6.883,838 5.194,839 2.118,840 4.538,841 1.605,842 1.064,843 3.596,844 12.044,845 3.664,846 4.357,847 5.024,848 5.672,849 6.281,850 6.536,851 6.902,852 7.272,853 7.694,854 7.683,855 0.857,856 39,857 8.776,859 3.752,860 7.722,861 16.612,863 13.591,865 2.222,866 53.333,870 117.711,871 96.233,872 150.947,877 96.233,878 117.711,879 150.947,881 2.106,882 132.128,883 96.924,884 23.566,885 4.227,886 105.94,888 117.711,889 247.18,893 119.426,897 17.953,898 142.359,899 85.153,901 117.711,902 150.947,903 96.233,906 117.711,907 20.852,908 75.381,909 18.011,910 132.936,911 117.711,912 150.947,913 96.233,915 0.583,916 0.345,917 0.196,918 0.108,919 20,920 8,921 0.071,922 3,923 2,924 1.2,925 3.693,926 199.238,927 0.2,928 20,929 105.284,933 14.608,934 5.909,935 2.829,936 3.194,937 150.947,938 16.004,939 16.697,943 2.111,945 83.805,946 364.891,947 38,956 39.247,957 44.149,958 0.283,959 0.664,960 0.81,961 0.905,962 0.951,963 0.971,964 4.879,965 1.277,966 5.714,967 3.801,968 4.344,969 5.043,970 0.623,971 6.524,972 4.26,973 6.114,974 1.041,975 7.268,976 2.853,977 3.892,978 4.913,980 7.402,981 3.768,982 7.437,983 1,984 8.921,985 2.565,986 5.932,987 7.38,988 0.317,989 10.513,990 5.772,991 8.798,992 0.592,993 10.634,994 2.369,995 6.293,996 8.087,998 12.23,999 6.099,1000 10.191,1001 0.034,1002 12.386,1003 1.402,1004 7.8,1005 10.012,1006 0.149,1007 14.848,1008 7.574,1009 11.607,1010 -0.366,1011 14.165,1012 0.086,1013 8.558,1014 11.132,1016 16.917,1017 8.301,1018 13.042,1019 -0.459,1020 15.964,1021 -0.925,1022 9.837,1023 12.819,1024 0.067,1025 19.357,1026 9.551,1027 3.081,1028 -0.618,1029 17.778,1030 -1.169,1031 10.789,1032 14.142,1034 21.573,1035 10.472,1036 3.028,1037 10.202,1038 19.604,1039 -1.478,1040 11.971,1041 15.723,1042 0.03,1043 23.943,1044 11.625,1045 2.423,1046 10.168,1047 21.439,1048 4.491,1049 13.013,1050 17.14,1052 26.22,1053 12.637,1054 2.117,1055 6.929,1056 23.281,1057 4.429,1058 14.155,1059 18.674,1060 0.013,1061 28.562,1062 13.75,1063 2.023,1064 6.198,1065 25.13,1066 3.237,1067 15.238,1068 20.134,1070 30.864,1071 14.802,1072 1.941,1073 5.8,1074 26.983,1075 2.906,1076 16.364,1077 21.647,1078 0.006,1079 33.194,1080 15.899,1081 1.618,1082 5.732,1083 28.84,1084 2.811,1085 17.465,1086 23.127,1088 35.507,1089 16.97,1090 6448,1091 10760,1092 18.493,1093 27.086,1094 40.522,1095 40.522,1096 41.213,1097 40.331,1098 40.35,1099 56.996,1100 1.315,1101 116.213,1102 38.622,1103 5.37,1104 5.141,1105 6.197,1106 5.115,1107 5.081,1108 7.491,1109 1.315,1110 17.096,1111 5.005,1112 8.834,1113 1.501,1114 1.501,1115 1.526,1116 1.494,1117 1.494,1118 2.111,1119 0.049,1120 4.304,1121 1.43,1122 4.097,1123 4.128,1124 4.056,1125 4.044,1126 5.342,1127 4.041,1128 4.009,1129 4.053,1130 3.989,1131 3.843,1132 4.99,1133 3.877,1134 3.559,1135 3.627,1136 3.481,1137 3.413,1138 4.916,1139 3.415,1140 3.442,1141 3.494,1142 3.35,1143 3.309,1144 4.855,1145 3.319,1146 3.18,1147 3.266,1148 3.076,1149 2.998,1150 4.374,1151 3.006,1152 3.1,1153 3.219,1154 2.992,1155 2.783,1156 4.236,1157 2.822,1158 2.945,1159 3.013,1160 2.822,1161 2.756,1162 4.06,1163 2.772,1164 2.671,1165 2.758,1166 2.542,1167 2.574,1168 3.982,1169 2.56,1170 0.168,1171 0.116,1172 0.241,1173 0.149,1174 0.114,1175 4.542,1176 0.166,1177 3.141,1178 0.024,1179 6.508,1180 0.378,1181 4.033,1182 0.111,1183 3.081,1184 4.491,1185 0.657,1186 10.202,1187 3.005,1188 2.072,1189 2.052,1190 2.154,1191 2.143,1192 1.291,1193 2.145,1194 1.912,1195 1.867,1196 1.954,1197 2.096,1198 1.01,1199 2.062,1200 1.52,1201 1.47,1202 1.689,1203 1.719,1204 0.749,1205 1.711,1206 1.423,1207 1.368,1208 1.599,1209 1.581,1210 0.667,1211 1.596,1212 1.123,1213 1.06,1214 1.323,1215 1.393,1216 0.348,1217 1.382,1218 0.982,1219 0.877,1220 1.264,1221 1.368,1222 0.163,1223 1.349,1224 0.928,1225 0.846,1226 1.195,1227 1.127,1228 0.061,1229 1.156,1230 0.69,1231 0.638,1232 0.948,1233 0.923,1235 0.936,1236 4.007,1238 5.333,1240 6.868,1242 8.502,1244 10.187,1250 11.422,1252 0.515,1253 3.391,1262 26.257,1263 58.389,1264 136.87,1265 166.969,1266 186.621,1267 196.131,1268 200.131,1269 27.434,1270 7.506,1271 115.63,1272 115.63,1273 24,1274 12.426,1275 4.524,1276 3.585,1277 34.017,1278 89,1279 76,1280 0.19,1281 162.553,1282 260.22,1283 388.389,1284 19727,1286 16.518,1287 0.688,1288 0.532,1289 16.518,1290 12.769,1291 11.704,1292 0.433,1293 0.277,1294 7.367,1295 11.312,1296 7.236,1297 6.003,1298 11.704,1299 7.468,1300 10.634,1301 0.28,1302 0.142,1303 10.634,1304 5.381,1305 9.036,1306 0.177,1307 0.074,1308 9.036,1309 3.751,1310 7.913,1311 0.116,1312 0.039,1313 7.913,1314 2.633,1315 6.551,1316 0.075,1317 0.021,1318 6.551,1319 1.797,1320 0.299,1321 72.931,1322 0.233,1323 23.45,1324 0.516,1325 130,1326 357.538,1327 141.934,1328 360.194,1329 508.78,1330 338,1331 154,1332 394.296,1333 166.156,1334 402.544,1335 589.92,1336 380,1337 5.9}
{0 CHEMBL263275,1 1.389,2 10.741,3 3.434,4 11.792,5 115.227,6 6.84,7 0.621,8 4.043,9 4.196,10 3.524,11 3.564,12 5.156,13 3.528,14 4.532,15 4.734,16 3.863,17 3.936,18 5.571,19 3.871,20 4.768,21 4.992,22 3.971,23 4.1,24 5.74,25 4.022,26 4.875,27 5.097,28 4.005,29 4.183,30 5.876,31 4.084,32 5.029,33 5.276,34 3.952,35 4.248,36 6.018,37 4.121,38 5.086,39 5.379,40 3.817,41 4.194,42 6.009,43 4.024,44 4.928,45 5.233,46 3.599,47 3.998,48 5.787,49 3.818,50 4.669,51 4.964,52 3.429,53 3.765,54 5.526,55 3.605,56 0.079,57 0.82,58 12.008,59 4.315,60 14.534,61 6.453,62 0.215,63 1.242,64 20.322,65 7.55,66 25.351,67 11.11,68 0.226,69 1.511,70 26.23,71 8.832,72 26.066,73 13.55,74 0.238,75 1.662,76 29.102,77 10.227,78 34.221,79 15.501,80 0.312,81 1.834,82 34.699,83 11.173,84 52.553,85 17.446,86 0.379,87 1.773,88 37.661,89 12.773,90 65.217,91 19.643,92 0.348,93 1.472,94 32.408,95 10.849,96 50.2,97 16.751,98 0.226,99 1.163,100 24.809,101 8.143,102 35.699,103 12.724,104 30,105 40,106 0.232,107 0.58,108 0.742,109 0.853,110 0.862,111 0.862,112 3.34,113 0.945,114 -4.69,115 -4.6,116 -4.33,119 39.6,120 2,121 1,125 2,139 8,140 3,141 2,143 1,144 1,147 1,157 3,158 3,159 3,166 11,169 1,170 6,172 3,173 3,175 2,178 11,180 2,182 7,184 1,185 1,187 3,189 7,191 3,193 8,195 1,196 1,197 1,198 7,200 2,201 6,204 7,205 1,207 5,212 6,215 11,218 6,223 2,224 2,225 1,226 5,228 2,229 11,231 5,232 1,233 2,234 1,236 1,237 1,239 4,241 10,243 4,246 1,250 1,251 1,253 2,254 6,256 1,258 1,260 4,262 1,263 1,265 2,268 5,270 2,273 1017,274 18.24,275 18.24,276 18.24,277 18.24,278 18.24,279 15.971,280 22.889,281 10.719,282 18.568,283 14.181,284 14.181,285 14.181,286 14.181,287 14.181,288 10.807,289 30.82,290 4.902,291 14.704,292 4.339,293 2.251,294 1.279,295 0.609,296 0.557,297 0.557,298 4.019,301 1,302 1,303 611,304 3.162,307 289.594,314 1.789,315 18.987,318 0.75,319 0.83,320 0.83,321 0.7,322 0.5,323 0.83,324 1,325 0.78,326 57,327 290,328 4.538,329 3.294,330 6.773,331 4.158,332 3.182,333 4.257,334 0.916,335 11.084,336 3.109,337 4.257,338 3.183,339 6.451,340 3.92,341 2.968,342 3.835,343 0.172,344 9.952,345 2.826,346 3.901,347 2.702,348 5.473,349 3.509,350 2.521,351 3.447,353 7.25,354 2.493,355 3.657,356 2.407,357 5.317,358 3.249,359 2.304,360 3.036,362 6.732,363 2.173,364 3.306,365 2.232,366 5.038,367 2.948,368 2.001,369 2.552,371 5.716,372 1.887,373 3.243,374 2.13,375 4.946,376 2.892,377 1.951,378 2.451,380 5.503,381 1.832,382 3.004,383 1.783,384 4.674,385 2.618,386 1.656,387 2.17,389 4.604,390 1.588,391 2.861,392 1.532,393 3.949,394 2.43,395 1.437,396 2.005,398 3.262,399 1.426,400 2.567,401 1.3,402 3.57,403 2.199,404 1.218,405 1.585,407 2.881,408 1.193,409 2.5,410 1,411 3.327,412 2,413 1,414 1.5,415 2.136,416 1,417 1.725,418 0.676,419 3.247,420 1.542,421 0.56,422 0.628,423 1.056,424 0.549,425 1.446,426 0.5,427 2.78,428 1.327,429 0.355,430 0.378,431 0.542,432 0.344,433 1.323,434 0.217,435 2.738,436 1.03,437 0.076,438 0.091,439 0.166,440 0.072,441 1.102,442 0.002,443 2.624,444 0.773,445 -0.178,446 -0.216,448 -0.438,449 -0.169,450 0.826,451 -0.305,452 2.411,453 0.449,454 -0.478,455 -0.587,457 -1.132,458 -0.437,459 12.9,460 0.478,461 0.644,462 0.024,463 37,464 1.37,465 20,466 0.741,467 17,468 0.63,469 21.781,470 0.807,471 29.1,472 0.549,473 27.905,474 1.034,475 7.198,476 0.267,477 5.83,478 0.216,479 0.171,481 0.341,485 1.221,486 1.243,487 0.937,488 1,489 1.384,490 0.946,491 0.681,492 1.03,493 0.817,494 0.979,495 0.455,496 0.925,497 1.106,498 1.101,499 0.946,500 0.972,501 0.845,502 0.946,503 0.943,504 1.246,505 1.048,506 1.191,507 0.747,508 1.141,509 1.321,510 1.149,511 1.225,512 1.151,513 1.384,514 1.172,515 0.831,516 0.925,517 0.991,518 1.012,519 0.962,520 1.019,521 0.801,522 0.842,523 0.945,524 0.94,525 1.033,526 0.956,527 0.888,528 0.992,529 0.943,530 0.989,531 0.892,532 0.975,533 5.5,534 0.112,535 2.889,536 2.625,537 1.769,538 1.111,539 0.667,540 0.436,541 0.242,542 0.221,543 8287,544 19476,545 2.014,546 49.1,547 3,548 12,551 6,552 2,553 3,555 1.702,556 1.862,557 3.367,558 3.337,560 1,564 73.62,565 1.389,566 3.477,567 4.449,568 5.119,569 5.171,570 5.171,571 2.893,572 4.459,573 4.725,574 3.541,575 1242.99,576 8.21,577 15813.3,579 1,581 1,582 303.58,583 1.487,584 4.672,585 0.19,586 0.006,587 0.072,588 0.06,589 0.04,590 0.028,591 0.02,592 0.016,593 0.011,594 0.011,595 0.453,597 1,598 0.905,599 133.377,600 -0.159,601 0.01,602 0.014,603 0.072,604 -0.282,605 0.064,606 0.278,607 0.1,608 0.14,609 0.07,610 0.26,611 0.086,612 -0.054,613 -0.004,614 0.027,615 0.039,616 -0.031,617 0.042,618 0.022,619 -0.164,620 -0.087,621 -0.166,622 0.109,623 -0.144,624 -0.24,625 -0.1,626 -0.246,627 -0.17,628 -0.215,629 -0.202,630 0.067,631 -0.001,632 -0.012,633 -0.034,634 0.05,635 -0.032,636 0.103,637 0.055,638 0.04,639 0.026,640 -0.034,641 0.026,642 0.042,643 -0.074,644 0.042,645 -0.02,646 0.036,647 0.006,648 1.474,649 2.412,650 0.667,651 25.062,652 0.99,653 1.135,654 3.457,655 11.948,656 0.654,657 3.401,658 3.714,659 3.989,660 4.263,661 4.443,662 4.466,663 4.533,664 4.644,665 4.644,666 4.654,667 6.333,668 0.611,669 362.53,670 3.401,671 4.934,672 5.784,673 6.666,674 7.532,675 8.42,676 9.293,677 10.184,678 11.059,679 11.953,680 11.3,684 3,686 1,690 2,695 8,696 2,700 8,702 18,711 3,714 1,718 53,719 18,720 2,721 29,723 55,724 21,725 16,726 4,727 8,729 3,730 3,734 2,739 1,741 16,742 5,754 1,757 26,758 6,759 6,760 6,764 6,769 1,776 1,781 3,802 3,806 2,810 27,811 3,816 3,821 1,836 14.5,837 9.767,838 6.139,839 3.256,840 3.148,841 1.442,842 0.995,843 5.942,844 10.276,845 3.664,846 4.27,847 4.846,848 5.423,849 5.946,850 6.143,851 6.472,852 6.851,853 7.137,854 7.448,855 1,856 44,857 9.921,859 4.079,860 7.642,861 19.079,863 15.259,865 2.142,866 57.833,868 1,869 1,870 235.422,871 122.26,872 135.387,877 122.26,878 235.422,879 135.387,880 17.65,881 6.746,882 174.502,883 33.571,884 20.951,885 4.227,886 235.422,888 235.422,889 257.647,893 200.109,894 35.313,897 29.052,898 195.024,899 33.571,901 235.422,902 135.387,903 122.26,906 235.422,907 28.8,908 96.585,910 132.263,911 235.422,912 135.387,913 122.26,915 0.573,916 0.348,917 0.199,918 0.106,919 18,920 9,921 0.109,922 6,924 1,925 3.759,926 227.812,928 18,929 124.382,933 19.147,934 8.379,935 4.209,937 135.387,938 16.342,939 8.434,943 6.038,945 98.692,946 493.069,947 38,956 52.447,957 60.142,958 0.243,959 0.607,960 0.777,961 0.894,962 0.903,963 0.903,964 4.887,965 1.437,966 5.771,967 4.604,968 4.394,969 4.956,970 0.918,971 6.594,972 4.325,973 6.098,974 1.218,975 7.339,976 3.262,977 4.007,978 4.745,979 0.325,980 7.538,981 3.888,982 7.406,983 1,984 9.008,985 2.881,986 5.994,987 7.151,988 0.671,989 10.652,990 5.859,991 8.75,992 0.56,993 10.736,994 2.136,995 6.415,996 7.725,997 0.393,998 12.435,999 6.236,1000 10.124,1001 0.355,1002 12.505,1003 1.056,1004 7.882,1005 9.62,1006 0.533,1007 15.075,1008 7.688,1009 11.521,1010 0.076,1011 14.301,1012 0.542,1013 8.684,1014 10.583,1015 0.384,1016 17.21,1017 8.453,1018 12.935,1019 -0.178,1020 16.118,1021 0.166,1022 9.944,1023 12.246,1024 0.438,1025 19.686,1026 9.695,1027 3.182,1028 -0.478,1029 17.951,1030 -0.438,1031 10.927,1032 13.42,1033 0.351,1034 21.968,1035 10.645,1036 2.968,1037 11.084,1038 19.797,1039 -1.132,1040 12.106,1041 14.966,1042 0.366,1043 24.384,1044 11.802,1045 2.521,1046 9.952,1047 21.653,1048 4.257,1049 13.172,1050 16.255,1051 0.312,1052 26.727,1053 12.839,1054 2.304,1055 7.25,1056 23.518,1057 3.835,1058 14.321,1059 17.742,1060 0.309,1061 29.123,1062 13.965,1063 2.001,1064 6.732,1065 25.389,1066 3.447,1067 15.426,1068 19.096,1069 0.273,1070 31.492,1071 15.043,1072 1.951,1073 5.716,1074 27.266,1075 3.036,1076 16.566,1077 20.555,1078 0.262,1079 33.883,1080 16.16,1081 1.656,1082 5.503,1083 29.148,1084 2.552,1085 17.689,1086 21.944,1087 0.236,1088 36.264,1089 17.258,1090 8163,1091 12643,1092 18.898,1093 34.648,1094 42.588,1095 42.541,1096 44.885,1097 42.537,1098 42.456,1099 55.872,1100 2.178,1101 121.767,1102 40.984,1103 5.369,1104 5.294,1105 6.575,1106 5.228,1107 5.182,1108 7.257,1109 1.605,1110 18.054,1111 5.109,1112 14.799,1113 1.469,1114 1.467,1115 1.548,1116 1.467,1117 1.464,1118 1.927,1119 0.075,1120 4.199,1121 1.413,1122 4.037,1123 4.074,1124 3.995,1125 3.951,1126 5.288,1127 3.956,1128 3.903,1129 3.941,1130 3.838,1131 3.836,1132 5.096,1133 3.831,1134 3.775,1135 3.826,1136 3.722,1137 3.633,1138 4.978,1139 3.65,1140 3.5,1141 3.58,1142 3.345,1143 3.326,1144 4.754,1145 3.317,1146 3.391,1147 3.484,1148 3.204,1149 3.188,1150 4.534,1151 3.182,1152 3.144,1153 3.239,1154 2.996,1155 2.981,1156 4.379,1157 2.963,1158 3.094,1159 3.197,1160 2.922,1161 2.852,1162 4.131,1163 2.872,1164 3.019,1165 3.132,1166 2.858,1167 2.792,1168 3.965,1169 2.794,1170 0.156,1171 0.114,1172 0.234,1173 0.143,1174 0.11,1175 4.538,1176 0.147,1177 3.294,1178 0.032,1179 6.773,1180 0.382,1181 4.158,1182 0.107,1183 3.182,1184 4.257,1185 0.916,1186 11.084,1187 3.109,1188 1.979,1189 1.951,1190 2.073,1191 2.088,1192 1.242,1193 2.083,1194 1.902,1195 1.872,1196 2.017,1197 2.002,1198 1.157,1199 2.008,1200 1.726,1201 1.678,1202 1.887,1203 1.894,1204 1.036,1205 1.892,1206 1.501,1207 1.423,1208 1.794,1209 1.709,1210 0.945,1211 1.74,1212 1.379,1213 1.293,1214 1.62,1215 1.632,1216 0.654,1217 1.651,1218 1.153,1219 1.078,1220 1.447,1221 1.388,1222 0.57,1223 1.403,1224 1.017,1225 0.93,1226 1.287,1227 1.352,1228 0.218,1229 1.358,1230 0.964,1231 0.878,1232 1.258,1233 1.297,1234 0.191,1235 1.3,1236 4.078,1238 5.389,1240 6.909,1242 8.526,1244 10.192,1246 4.137,1250 18.27,1252 2.364,1257 2.248,1262 32.396,1263 73.62,1264 184.296,1265 235.805,1266 271.315,1267 274.07,1268 274.07,1269 43.324,1270 7.128,1271 107.08,1272 107.08,1273 18,1274 12.483,1275 4.248,1276 3.322,1277 46.949,1278 105,1279 99,1280 0.227,1281 204.449,1282 344.32,1283 490.615,1284 10973,1286 19.389,1287 0.718,1288 0.586,1289 19.389,1290 15.814,1291 13.028,1292 0.449,1293 0.315,1294 9.049,1295 12.688,1296 8.764,1297 7.364,1298 13.028,1299 9.137,1300 11.422,1301 0.286,1302 0.16,1303 11.422,1304 6.416,1305 9.516,1306 0.18,1307 0.087,1308 9.516,1309 4.619,1310 8.321,1311 0.119,1312 0.047,1313 8.321,1314 3.286,1315 6.419,1316 0.076,1317 0.026,1318 6.419,1319 2.173,1320 0.353,1321 80.428,1322 0.23,1323 25.816,1324 0.63,1325 138,1326 330.872,1327 147.825,1328 337.876,1329 476.24,1330 316,1331 162,1332 367.986,1333 171.686,1334 378.562,1335 551.84,1336 357,1337 5.398}
{0 CHEMBL26337,1 1.426,2 8.826,3 4.374,4 19.128,5 97.069,6 6.418,7 0.5,8 3.946,9 4.094,10 3.364,11 3.434,12 5.002,13 3.387,14 4.472,15 4.687,16 3.666,17 3.801,18 5.435,19 3.716,20 4.667,21 4.894,22 3.771,23 3.957,24 5.573,25 3.858,26 4.797,27 5.035,28 3.766,29 4.022,30 5.717,31 3.907,32 4.821,33 5.039,34 3.722,35 4.078,36 5.706,37 3.936,38 4.981,39 5.266,40 3.623,41 4.065,42 5.733,43 3.889,44 4.873,45 5.158,46 3.521,47 3.97,48 5.624,49 3.773,50 4.892,51 5.23,52 3.408,53 3.788,54 5.682,55 3.59,56 0.065,57 0.705,58 11.729,59 4.368,60 12.012,61 6.476,62 0.243,63 1.053,64 20.155,65 7.64,66 25.964,67 10.926,68 0.152,69 1.25,70 24.312,71 8.78,72 22.486,73 13.206,74 0.325,75 1.344,76 28.165,77 9.846,78 39.425,79 14.496,80 0.204,81 1.41,82 28.401,83 10.65,84 30.968,85 15.647,86 0.344,87 1.451,88 33.615,89 11.469,90 37.486,91 17.396,92 0.156,93 1.345,94 29.571,95 10.775,96 25.903,97 16.516,98 0.477,99 1.218,100 31.127,101 8.886,102 49.113,103 14.763,104 39,105 32,106 0.245,107 0.568,108 0.762,109 0.776,110 0.776,111 0.776,112 3.188,113 1.018,114 -4.74,115 -4.66,116 -4.37,119 36.7,120 2,121 5,124 1,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 12,169 1,170 4,172 3,173 3,175 1,178 13,180 1,182 6,187 1,189 14,191 1,193 5,195 1,196 1,197 1,198 2,200 2,201 13,204 2,205 1,207 7,212 3,215 12,218 3,221 5,226 3,229 9,231 3,234 4,239 4,241 4,243 4,245 2,246 4,248 1,249 1,251 4,254 1,256 4,260 4,265 4,270 4,273 730,274 15.541,275 15.541,276 15.541,277 15.541,278 15.541,279 13.988,280 20.388,281 9.389,282 15.886,283 11.718,284 11.718,285 11.718,286 11.718,287 11.718,288 9.285,289 24.654,290 4.198,291 12.184,292 4.189,293 2.316,294 1.189,295 1.107,296 1.107,297 1.107,298 3.849,301 1,302 1,303 409,304 3.082,307 161.248,314 1.255,315 17.096,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 49,327 203,328 4.432,329 3.341,330 6.53,331 4.058,332 3.078,333 4.115,334 0.86,335 10.309,336 3.016,337 4.229,338 3.072,339 6.088,340 3.815,341 2.856,342 3.875,343 0.68,344 8.843,345 2.742,346 3.6,347 2.537,348 5.281,349 3.236,350 2.28,351 2.934,353 6.716,354 2.18,355 3.383,356 2.401,357 5.223,358 3.115,359 2.115,360 2.663,362 6.311,363 2.115,364 3.362,365 2.18,366 4.921,367 2.94,368 1.999,369 2.626,371 5.65,372 1.87,373 2.823,374 1.857,375 4.149,376 2.359,377 1.427,378 1.952,380 3.675,381 1.325,382 2.397,383 1.54,384 3.874,385 2.319,386 1.359,387 1.394,389 2.866,390 1.299,391 2.113,392 1.062,393 3.153,394 2,395 1,396 1.084,398 1.714,399 1,400 1.876,401 1,402 3.104,403 1.693,404 0.778,405 0.831,407 1.357,408 0.704,409 1.558,410 0.626,411 2.774,412 1.267,413 0.332,414 0.394,415 0.715,416 0.309,417 1,418 0.287,419 2.567,420 0.746,421 -0.186,422 -0.204,423 -0.279,424 -0.169,425 1,426 -0.081,427 2.359,428 0.736,429 -0.254,430 -0.299,431 -0.478,432 -0.254,433 0.8,434 -0.179,435 2.322,436 0.532,437 -0.446,438 -0.513,439 -0.944,440 -0.435,441 0.7,442 -0.314,443 2,444 0.392,445 -0.515,446 -0.621,448 -1.242,449 -0.467,450 0.317,451 -0.685,452 1.69,453 0.048,454 -0.916,455 -1.062,457 -2.047,458 -0.875,459 10.933,460 0.475,461 0.503,462 0.022,463 27.5,464 1.196,465 13.5,466 0.587,467 14,468 0.609,469 21.057,470 0.916,471 26.267,472 0.536,473 18.695,474 0.813,475 5.064,476 0.22,477 6.019,478 0.262,479 0.21,481 0.32,485 1.042,486 1.329,487 0.99,488 1.181,489 1.226,490 1.088,491 0.855,492 0.903,493 0.859,494 0.974,495 0.558,496 0.94,497 0.847,498 1.171,499 0.91,500 1.116,501 0.752,502 1.033,503 1.3,504 0.925,505 1.068,506 1.004,507 1.002,508 1.021,509 1.07,510 1.309,511 1.248,512 1.395,513 0.93,514 1.361,515 1.136,516 0.918,517 1.011,518 0.957,519 0.877,520 0.981,521 0.448,522 1.282,523 0.942,524 1.277,525 0.558,526 1.187,527 0.743,528 0.764,529 0.783,530 0.725,531 0.886,532 0.747,533 5,534 0.087,535 2.444,536 1.813,537 1.538,538 0.757,539 0.628,540 0.358,541 0.238,542 0.153,543 4764,544 11022,545 1.946,546 53.1,547 16,548 5,550 1,551 4,555 1.663,556 1.792,557 3.127,558 1.779,560 1,564 69.851,565 1.426,566 3.299,567 4.426,568 4.507,569 4.507,570 4.507,571 2.512,572 3.882,573 4.493,574 3.272,575 827.828,576 7.77,577 9447.83,579 1,581 1,582 275.121,583 1.51,584 4.433,585 0.208,586 0.014,587 0.076,588 0.052,589 0.045,590 0.024,591 0.022,592 0.015,593 0.011,594 0.01,595 0.479,597 1,598 1.365,599 106.719,600 -0.077,601 -0.016,602 0.019,603 0.007,604 -0.149,605 0.027,606 0.183,607 0.215,608 0.136,609 0.126,610 0.26,611 0.117,612 0.011,613 -0.073,614 0.065,615 -0.028,616 0.029,617 0.021,618 -0.086,619 0.125,620 -0.064,621 0.04,622 -0.013,623 -0.005,624 -0.129,625 -0.225,626 -0.278,627 -0.29,628 -0.116,629 -0.302,630 -0.114,631 0.003,632 -0.041,633 0.035,634 -0.056,635 0.005,636 0.1,637 -0.343,638 -0.02,639 -0.245,640 0.071,641 -0.163,642 0.219,643 0.084,644 0.191,645 0.145,646 0.127,647 0.164,648 1.459,649 2.16,650 0.522,651 18.858,652 0.989,653 1.138,654 3.511,655 12.324,656 0.63,657 3.219,658 3.497,659 3.738,660 3.989,661 4.174,662 4.19,663 4.19,664 4.277,665 4.263,666 4.159,667 5.442,668 0.584,669 314.48,670 3.219,671 4.727,672 5.557,673 6.425,674 7.279,675 8.154,676 9.016,677 9.893,678 10.758,679 11.636,680 8.2,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,718 49,719 12,720 1,721 24,723 50,724 18,725 10,726 4,727 2,729 2,730 2,734 2,739 5,741 10,742 8,754 1,757 26,758 5,759 4,760 5,764 4,769 1,770 1,776 1,781 2,802 2,806 3,810 23,811 2,816 5,818 1,829 2,834 1,836 12.833,837 9.483,838 5.417,839 3.196,840 2.245,841 1.343,842 0.947,843 6.226,844 8.785,845 3.434,846 4.007,847 4.549,848 5.094,849 5.599,850 5.742,851 5.937,852 6.296,853 6.588,854 6.83,855 0.833,856 35,857 8.465,859 3.368,860 7.616,861 16.437,863 12.873,865 2.116,866 48.667,869 1,870 258.964,871 91.419,872 99.365,874 11,877 91.419,878 269.964,879 99.365,880 28.533,881 12.673,882 84.747,883 45.342,884 38.033,885 4.227,886 247.193,888 258.964,889 190.784,890 11,893 258.964,894 11,897 41.27,898 115.944,899 33.571,901 258.964,902 110.365,903 91.419,906 258.964,907 34.885,908 56.533,910 110.365,911 258.964,912 110.365,913 91.419,915 0.557,916 0.333,917 0.195,918 0.109,919 13,920 7,921 0.14,922 7,924 1,925 3.368,926 174.494,928 12,929 94.042,933 17.547,934 8.161,935 4.352,937 110.365,938 6.121,939 8.09,943 6.296,945 65.794,946 460.748,947 30,956 48.454,957 55.77,958 0.254,959 0.588,960 0.788,961 0.803,962 0.803,963 0.803,964 4.644,965 1,966 5.533,967 2.866,968 4.174,969 4.691,970 1.225,971 6.33,972 4.104,973 5.842,974 0.778,975 7.084,976 1.714,977 3.761,978 4.559,980 7.209,981 3.664,982 7.148,983 0.332,984 8.735,985 1.357,986 5.746,987 6.884,988 0.925,989 10.292,990 5.622,991 8.492,992 -0.186,993 10.443,994 0.715,995 6.133,996 7.524,998 11.971,999 5.98,1000 9.866,1001 -0.254,1002 12.187,1003 -0.279,1004 7.596,1005 9.357,1006 0.697,1007 14.572,1008 7.423,1009 11.261,1010 -0.446,1011 13.955,1012 -0.478,1013 8.363,1014 10.357,1016 16.599,1017 8.16,1018 12.672,1019 -0.515,1020 15.741,1021 -0.944,1022 9.611,1023 11.977,1024 0.525,1025 19.025,1026 9.391,1027 3.078,1028 -0.916,1029 17.541,1030 -1.242,1031 10.559,1032 13.162,1034 21.211,1035 10.311,1036 2.856,1037 10.309,1038 19.352,1039 -2.047,1040 11.719,1041 14.677,1042 0.395,1043 23.57,1044 11.453,1045 2.28,1046 8.843,1047 21.172,1048 4.115,1049 12.752,1050 15.96,1052 25.828,1053 12.461,1054 2.115,1055 6.716,1056 22.999,1057 3.875,1058 13.877,1059 17.421,1060 0.298,1061 28.163,1062 13.567,1063 1.999,1064 6.311,1065 24.832,1066 2.934,1067 14.95,1068 18.756,1070 30.455,1071 14.617,1072 1.427,1073 5.65,1074 26.67,1075 2.663,1076 16.062,1077 20.189,1078 0.224,1079 32.781,1080 15.71,1081 1.359,1082 3.675,1083 28.513,1084 2.626,1085 17.154,1086 21.554,1088 35.09,1089 16.781,1090 4957,1091 7675,1092 15.315,1093 30.853,1094 34.545,1095 35.002,1096 36.863,1097 34.434,1098 34.449,1099 43.734,1100 3.08,1101 96.313,1102 33.122,1103 5.215,1104 5.341,1105 6.296,1106 5.127,1107 5.078,1108 7.115,1109 1.72,1110 17.254,1111 5.016,1112 13.595,1113 1.439,1114 1.458,1115 1.536,1116 1.435,1117 1.435,1118 1.822,1119 0.128,1120 4.013,1121 1.38,1122 4.022,1123 4.051,1124 3.969,1125 3.954,1126 5.291,1127 3.953,1128 3.834,1129 3.885,1130 3.793,1131 3.677,1132 4.979,1133 3.699,1134 3.591,1135 3.665,1136 3.406,1137 3.462,1138 4.824,1139 3.439,1140 3.483,1141 3.559,1142 3.3,1143 3.336,1144 4.464,1145 3.317,1146 3.297,1147 3.359,1148 3.144,1149 3.05,1150 4.348,1151 3.064,1152 3.13,1153 3.233,1154 2.962,1155 2.866,1156 4.123,1157 2.869,1158 2.99,1159 3.11,1160 2.803,1161 2.836,1162 4.054,1163 2.81,1164 2.988,1165 3.081,1166 2.772,1167 2.685,1168 3.747,1169 2.697,1170 0.185,1171 0.139,1172 0.272,1173 0.169,1174 0.128,1175 4.432,1176 0.171,1177 3.341,1178 0.036,1179 6.53,1180 0.43,1181 4.058,1182 0.126,1183 3.078,1184 4.115,1185 0.86,1186 10.309,1187 3.016,1188 1.986,1189 1.964,1190 2.098,1191 2.076,1192 1.356,1193 2.082,1194 1.766,1195 1.72,1196 1.913,1197 1.953,1198 1.172,1199 1.934,1200 1.624,1201 1.555,1202 1.893,1203 1.801,1204 1.091,1205 1.844,1206 1.496,1207 1.424,1208 1.745,1209 1.689,1210 0.837,1211 1.721,1212 1.234,1213 1.169,1214 1.573,1215 1.537,1216 0.573,1217 1.548,1218 1.093,1219 1,1220 1.402,1221 1.396,1222 0.551,1223 1.4,1224 1.03,1225 0.946,1226 1.392,1227 1.284,1228 0.474,1229 1.304,1230 0.915,1231 0.801,1232 1.253,1233 1.25,1234 0.26,1235 1.296,1236 3.892,1238 5.176,1240 6.668,1242 8.266,1244 9.918,1246 6.105,1250 11.53,1252 4.865,1254 5.66,1262 28.595,1263 69.851,1264 161.655,1265 216.856,1266 220.856,1267 220.856,1268 220.856,1269 40.186,1270 6.54,1271 87.05,1272 87.05,1273 12,1274 12.176,1275 3.7,1276 2.807,1277 44.986,1278 74,1279 76,1280 0.303,1281 182.255,1282 310.39,1283 436.462,1284 4836,1286 16.82,1287 0.731,1288 0.618,1289 16.82,1290 14.225,1291 11.083,1292 0.462,1293 0.339,1294 8.048,1295 10.727,1296 7.734,1297 6.581,1298 11.083,1299 8.141,1300 9.398,1301 0.294,1302 0.18,1303 9.398,1304 5.763,1305 7.519,1306 0.183,1307 0.094,1308 7.519,1309 3.857,1310 6.458,1311 0.122,1312 0.055,1313 6.458,1314 2.891,1315 4.955,1316 0.077,1317 0.03,1318 4.955,1319 1.919,1320 0.463,1321 69.055,1322 0.256,1323 22.296,1324 0.867,1325 112,1326 287.65,1327 120.929,1328 284.16,1329 392.33,1330 266,1331 129,1332 292.517,1333 137.651,1334 301.653,1335 435.89,1336 281,1337 4.678}
{0 CHEMBL264373,1 1.745,2 6.941,3 2.748,4 7.552,5 71.72,6 9.969,7 0.667,8 3.418,9 3.542,10 3.211,11 3.019,12 4.68,13 3.001,14 3.845,15 3.997,16 3.639,17 3.391,18 5.137,19 3.349,20 4.033,21 4.182,22 3.861,23 3.535,24 5.316,25 3.473,26 4.043,27 4.204,28 3.563,29 3.453,30 5.32,31 3.369,32 4.14,33 4.372,34 3.333,35 3.343,36 5.314,37 3.235,38 4.068,39 4.37,40 3.426,41 3.151,42 5.131,43 2.991,44 3.504,45 3.708,46 3.13,47 2.735,48 4.838,49 2.565,50 2.958,51 3.182,52 2.329,53 2.121,54 4.202,55 1.894,56 0.088,57 0.412,58 3.118,59 1.874,60 11.739,61 2.149,62 0.171,63 0.597,64 6.959,65 3.545,66 18.024,67 4.488,68 0.282,69 0.672,70 14.463,71 4.029,72 26.559,73 4.448,74 0.2,75 0.687,76 10.839,77 4.487,78 22.689,79 5.518,80 0.333,81 0.722,82 11.601,83 4.016,84 40.708,85 4.561,86 0.359,87 0.513,88 20.717,89 5.675,90 40.615,91 7.75,92 0.287,93 0.236,94 15.471,95 3.09,96 30.628,97 3.598,98 0.183,99 0.11,100 12.028,101 2.019,102 21.658,103 2.321,104 26,105 26,106 0.343,107 0.7,108 0.778,109 0.856,110 0.871,111 0.871,112 2.909,113 0.932,114 -4.55,115 -4.47,116 -4.21,119 40.7,120 1,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 3,172 3,173 3,175 1,178 7,180 1,182 2,187 1,189 8,191 1,193 5,195 1,196 1,197 1,198 5,200 2,201 5,204 5,205 1,207 2,212 2,215 2,218 2,221 2,226 3,229 1,231 3,234 2,239 2,241 1,243 2,251 1,256 1,265 1,270 1,273 295,274 10.861,275 10.861,276 10.861,277 10.861,278 10.861,279 9.214,280 10.917,281 6.177,282 11.282,283 8.829,284 8.829,285 8.829,286 8.829,287 8.829,288 6.46,289 13.712,290 2.902,291 9.649,292 3.01,293 1.195,294 0.797,295 0.398,296 0.324,297 0.324,298 3.551,299 2,301 1,302 1,303 241,304 1.871,307 105.344,314 0.9,315 17.897,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 36.667,327 118,328 4.519,329 3.343,330 6.734,331 4.124,332 3.152,333 4.242,335 10.89,336 3.067,337 4.124,338 3.146,339 5.909,340 3.615,341 2.732,342 3.755,344 8.107,345 2.379,346 3.607,347 2.383,348 5.261,349 3.159,350 2.249,351 2.983,353 6.512,354 1.987,355 3.232,356 2.147,357 4.879,358 2.816,359 1.879,360 2.481,362 5.225,363 1.757,364 3.089,365 2.091,366 4.746,367 2.649,368 1.707,369 2.308,371 4.881,372 1.565,373 2.82,374 1.859,375 4.042,376 2.305,377 1.414,378 1.947,380 3.52,381 1.197,382 1.587,383 0.775,384 3.158,385 1.226,386 0.338,387 0.403,389 0.818,390 0.267,391 1.175,392 0.291,393 2.653,394 0.684,395 -0.102,396 -0.124,398 -0.249,399 -0.069,400 1,401 -0.142,402 2.403,403 0.575,404 -0.347,405 -0.445,407 -0.898,408 -0.32,409 0.709,410 -0.172,411 2.362,412 0.252,413 -0.649,414 -0.74,415 -1.487,416 -0.472,417 0.414,418 -0.363,419 1.85,420 0.177,421 -0.732,422 -0.916,423 -1.839,424 -0.63,425 0.001,426 -0.986,427 1.468,428 -0.456,429 -1.279,430 -1.576,431 -3.297,432 -1.023,433 -0.172,434 -1.132,435 1.436,436 -0.569,437 -1.414,438 -1.847,439 -3.967,440 -1.128,441 -0.227,442 -1.36,443 1.281,444 -0.623,445 -1.516,446 -2.006,448 -4.037,449 -1.372,450 -0.232,451 -1.401,452 1.115,453 -0.733,454 -1.532,455 -2.036,457 -4.493,458 -1.463,459 8.529,460 0.502,461 0.6,462 0.035,463 24,464 1.412,465 13,466 0.765,467 11,468 0.647,469 11.668,470 0.686,471 17.871,472 0.662,473 15.085,474 0.887,475 4.718,476 0.278,477 3.268,478 0.192,479 0.32,481 0.41,485 0.887,486 1.112,487 0.53,488 0.629,489 1.14,490 0.665,491 0.479,492 0.835,493 0.506,494 0.661,495 0.416,496 0.673,497 1.129,498 1.057,499 0.87,500 0.821,501 0.99,502 0.87,503 0.795,504 1.434,505 0.926,506 1.318,507 0.703,508 1.296,509 1.303,510 1.051,511 0.88,512 0.922,513 1.568,514 1.172,515 0.48,516 0.778,517 0.544,518 0.689,519 0.479,520 0.664,521 1.44,522 0.907,523 1.952,524 1.536,525 1.4,526 1.321,527 2.002,528 0.703,529 2.626,530 1.731,531 1.857,532 1.431,533 4.5,535 2.444,536 1.938,537 1.098,538 0.639,539 0.424,540 0.122,541 0.066,543 1986,544 8148,545 1.928,546 37,548 3,551 4,552 3,555 1.574,556 1.729,557 2.775,558 2.178,562 1,564 47.109,565 1.745,566 3.56,567 3.958,568 4.357,569 4.431,570 4.431,571 2.19,572 3.735,573 4.061,574 2.854,575 388.143,576 6.888,577 3416.27,578 1,579 1,581 1,582 128.382,583 1.566,584 3.968,585 0.25,587 0.094,588 0.072,589 0.048,590 0.04,591 0.03,592 0.015,593 0.022,595 0.571,596 0.33,597 1,598 0.76,599 68.823,600 -0.21,601 0.082,602 -0.026,603 0.149,604 -0.366,605 0.11,606 0.242,607 0.258,608 0.147,609 0.206,610 0.271,611 0.205,612 -0.181,613 0.02,614 0.011,615 0.071,616 -0.152,617 -0.019,618 -0.017,619 -0.412,620 -0.179,621 -0.433,622 0.117,623 -0.403,624 -0.423,625 0.015,626 -0.214,627 -0.09,628 -0.561,629 -0.302,630 0.407,631 -0.018,632 0.468,633 0.403,634 0.433,635 0.529,636 0.05,637 -0.152,638 -0.229,639 -0.354,640 0.001,641 -0.235,642 -0.304,643 -0.078,644 -0.55,645 -0.419,646 -0.259,647 -0.241,648 1.51,649 1.85,650 0.706,651 9.003,652 1.022,653 1.131,654 3.316,655 10.998,656 0.733,657 2.944,658 3.296,659 3.526,660 3.761,661 3.892,662 3.932,663 3.784,664 3.714,665 3.497,666 3.296,667 4.114,668 0.698,669 269.15,670 2.944,671 4.489,672 5.333,673 6.221,674 7.081,675 7.973,676 8.838,677 9.732,678 10.599,679 11.493,680 14.8,684 2,690 2,695 3,696 2,700 7,702 12,711 2,717 2,718 27,719 12,720 1,721 18,723 28,724 11,725 10,726 3,727 3,729 2,730 2,731 2,734 1,741 10,742 1,754 1,757 10,758 4,759 4,760 6,761 2,764 4,769 1,776 1,781 2,802 2,806 1,807 2,810 17,811 2,828 2,836 9.833,837 5.102,838 3.694,839 1.383,840 2.329,841 1.389,842 0.992,843 3.309,844 8.311,845 3.219,846 3.892,847 4.46,848 5.037,849 5.551,850 5.789,851 5.975,852 6.278,853 6.442,854 6.601,855 0.8,856 27,857 6.177,859 2.57,860 7.964,861 11.392,863 8.966,865 2.464,866 41.889,867 0.001,870 70.627,871 57.61,872 99.365,873 78.297,877 57.61,878 148.924,879 99.365,880 8.825,882 94.223,883 33.571,884 16.129,885 4.227,886 70.627,887 78.297,888 70.627,889 156.976,891 78.297,893 70.627,897 13.481,898 109.923,899 111.868,901 70.627,902 99.365,903 135.907,906 70.627,907 20.356,908 37.254,910 177.663,911 70.627,912 99.365,913 135.907,915 0.598,916 0.35,917 0.182,918 0.091,919 13,920 7,921 0.036,922 1,924 1,925 2.775,926 118.024,928 12,929 67.487,933 12.267,934 4.586,935 2.4,937 99.365,938 5.239,939 8.005,943 3.667,945 65.794,946 305.899,947 24,956 27.589,957 30.542,958 0.367,959 0.749,960 0.832,961 0.916,962 0.932,963 0.932,964 4.454,965 -0.102,966 5.361,967 0.818,968 3.97,969 4.575,971 6.196,972 3.809,973 5.712,974 -0.347,975 6.95,976 -0.249,977 3.761,978 4.559,980 7.159,981 3.479,982 7.047,983 -0.649,984 8.635,985 -0.898,986 5.595,987 6.838,989 10.253,990 5.329,991 8.415,992 -0.732,993 10.373,994 -1.487,995 6.111,996 7.536,998 12.016,999 5.754,1000 9.807,1001 -1.279,1002 12.145,1003 -1.839,1004 7.505,1005 9.361,1007 14.662,1008 7.164,1009 11.219,1010 -1.414,1011 13.941,1012 -3.297,1013 8.356,1014 10.408,1016 16.781,1017 7.961,1018 12.646,1019 -1.516,1020 15.757,1021 -3.967,1022 9.583,1023 12.032,1025 19.262,1026 9.192,1027 3.152,1028 -1.532,1029 17.588,1030 -4.037,1031 10.588,1032 13.26,1034 21.537,1035 10.166,1036 2.732,1037 10.89,1038 19.432,1039 -4.493,1040 11.752,1041 14.786,1043 23.956,1044 11.325,1045 2.249,1046 8.107,1047 21.285,1048 4.242,1049 12.827,1050 16.109,1052 26.296,1053 12.379,1054 1.879,1055 6.512,1056 23.148,1057 3.755,1058 13.969,1059 17.587,1061 28.693,1062 13.511,1063 1.707,1064 5.225,1065 25.018,1066 2.983,1067 15.076,1068 18.961,1070 31.06,1071 14.601,1072 1.414,1073 4.881,1074 26.893,1075 2.481,1076 16.213,1077 20.416,1079 33.45,1080 15.724,1081 0.338,1082 3.52,1083 28.773,1084 2.308,1085 17.336,1086 21.818,1088 35.829,1089 16.83,1090 2095,1091 4331,1092 11.156,1093 19.784,1094 27.288,1095 27.98,1096 29.015,1097 27.188,1098 26.944,1099 36.24,1101 79.906,1102 24.437,1103 5.164,1104 5.343,1105 6.032,1106 5.194,1107 5.152,1108 7.242,1110 17.725,1111 5.067,1112 10.445,1113 1.516,1114 1.554,1115 1.612,1116 1.51,1117 1.497,1118 2.013,1120 4.439,1121 1.358,1122 3.999,1123 4.029,1124 4.13,1125 3.935,1126 5.289,1127 3.933,1128 3.741,1129 3.78,1130 3.836,1131 3.611,1132 5.037,1133 3.625,1134 3.19,1135 3.294,1136 3.401,1137 2.951,1138 4.974,1139 2.956,1140 3.105,1141 3.214,1142 3.251,1143 2.893,1144 4.493,1145 2.896,1146 2.879,1147 2.922,1148 2.998,1149 2.789,1150 4.467,1151 2.764,1152 2.824,1153 2.882,1154 2.896,1155 2.61,1156 4.176,1157 2.62,1158 2.483,1159 2.629,1160 2.475,1161 2.105,1162 3.856,1163 2.102,1164 2.063,1165 2.181,1166 2.207,1167 1.745,1168 3.481,1169 1.743,1170 0.251,1171 0.186,1172 0.374,1173 0.229,1174 0.175,1175 4.519,1176 0.236,1177 3.343,1179 6.734,1180 0.605,1181 4.124,1182 0.17,1183 3.152,1184 4.242,1186 10.89,1187 3.067,1188 1.949,1189 1.93,1190 2.003,1191 2.048,1192 1.147,1193 2.038,1194 1.675,1195 1.636,1196 1.772,1197 1.825,1198 0.842,1199 1.821,1200 1.167,1201 1.067,1202 1.483,1203 1.458,1204 0.426,1205 1.484,1206 1.004,1207 0.928,1208 1.266,1209 1.37,1210 0.167,1211 1.354,1212 0.868,1213 0.824,1214 1.106,1215 1.025,1216 0.016,1217 1.066,1218 0.76,1219 0.686,1220 0.943,1221 0.964,1223 0.989,1224 0.409,1225 0.265,1226 0.74,1227 0.783,1229 0.797,1232 0.25,1233 0.304,1235 0.26,1236 3.611,1238 4.949,1240 6.485,1242 8.116,1244 9.795,1246 1.812,1247 11.82,1250 11.346,1262 18.848,1263 47.109,1264 96.117,1265 106.872,1266 117.627,1267 119.627,1268 119.627,1269 24.927,1270 5.981,1271 77.82,1272 77.82,1273 12,1274 12.024,1275 3.7,1276 2.807,1277 28.269,1278 41,1279 39,1280 0.356,1281 127.778,1282 210.92,1283 303.538,1284 2272,1285 7.4,1286 12.577,1287 0.74,1288 0.621,1289 13.577,1290 10.549,1291 7.986,1292 0.444,1293 0.311,1294 4.848,1295 7.212,1296 4.624,1297 3.843,1298 8.563,1299 5.594,1300 7.636,1301 0.294,1302 0.168,1303 8.378,1304 4.371,1305 6.046,1306 0.183,1307 0.093,1308 6.96,1309 3.083,1310 5.109,1311 0.122,1312 0.046,1313 5.495,1314 1.924,1315 3.409,1316 0.071,1317 0.024,1318 3.789,1319 1.142,1320 0.525,1321 55.661,1322 0.299,1323 16.682,1324 1.073,1325 88,1326 272.321,1327 125.422,1328 332.719,1329 434.19,1330 306,1331 103,1332 278.049,1333 135.725,1334 304.123,1335 443.15,1336 285,1337 9.921}
{0 CHEMBL264386,1 1.563,2 10.625,3 2.216,4 4.909,5 95.36,6 7.373,7 0.654,8 3.889,9 4.028,10 3.442,11 3.361,12 5.057,13 3.36,14 4.377,15 4.575,16 3.792,17 3.723,18 5.492,19 3.706,20 4.516,21 4.686,22 3.886,23 3.9,24 5.594,25 3.864,26 4.716,27 4.935,28 3.829,29 3.963,30 5.789,31 3.867,32 4.812,33 5.095,34 3.604,35 3.907,36 5.727,37 3.769,38 4.635,39 4.92,40 3.473,41 3.74,42 5.518,43 3.601,44 4.458,45 4.714,46 3.402,47 3.594,48 5.402,49 3.494,50 4.368,51 4.629,52 3.268,53 3.496,54 5.358,55 3.378,56 0.048,57 0.697,58 9.283,59 3.347,60 11,61 4.794,62 0.294,63 1.033,64 17.016,65 5.665,66 26.556,67 8.033,68 0.14,69 1.231,70 18.404,71 6.438,72 14.501,73 9.353,74 0.298,75 1.372,76 23.974,77 8.518,78 37.334,79 12.459,80 0.404,81 1.341,82 28.878,83 8.306,84 47.112,85 13.367,86 0.308,87 1.099,88 24.256,89 7.83,90 34.362,91 11.999,92 0.276,93 0.938,94 20.091,95 6.037,96 28.556,97 9.141,98 0.212,99 0.872,100 17.976,101 5.471,102 30.389,103 8.492,104 27,105 37,106 0.271,107 0.653,108 0.804,109 0.835,110 0.835,111 0.835,112 3.228,113 0.867,114 -3.89,115 -3.85,116 -3.65,119 38.6,120 1,124 2,125 1,139 4,140 3,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 5,169 2,170 9,172 3,173 3,175 1,178 5,180 1,182 8,187 1,189 2,191 1,192 2,193 7,195 3,196 3,197 1,198 3,200 2,201 2,204 3,205 1,206 1,212 1,215 4,218 1,220 2,221 2,223 1,224 1,226 2,229 6,231 2,234 3,241 4,246 5,248 1,249 1,251 2,256 2,259 1,260 6,265 2,270 2,273 786,274 15.955,275 15.955,276 15.955,277 15.955,278 15.955,279 13.847,280 21.722,281 9.147,282 16.469,283 12.717,284 12.717,285 12.717,286 12.717,287 12.717,288 9.525,289 29.845,290 4.233,291 13.46,292 3.896,293 1.691,294 0.824,295 0.642,296 0.642,297 0.642,298 3.905,300 1,301 1,302 1,303 542,304 3,307 203.929,311 107.505,314 1.542,315 18.131,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52,327 255,328 4.656,329 3.337,330 6.837,331 4.19,332 3.217,333 4.616,334 0.916,335 11.242,336 3.134,337 4.133,338 3.073,339 6.077,340 3.787,341 2.837,342 3.69,343 0.86,344 8.771,345 2.694,346 3.903,347 2.797,348 5.758,349 3.486,350 2.53,351 3.411,352 0.172,353 7.727,354 2.42,355 3.618,356 2.613,357 5.281,358 3.263,359 2.335,360 2.906,362 6.695,363 2.159,364 3.452,365 2.182,366 5.096,367 2.971,368 2.037,369 2.859,371 5.908,372 1.898,373 3.369,374 2.047,375 5.008,376 2.895,377 1.969,378 2.688,380 5.792,381 1.817,382 2.721,383 1.708,384 4.329,385 2.374,386 1.425,387 1.79,389 3.809,390 1.348,391 2.539,392 1.453,393 4.004,394 2.183,395 1.243,396 1.547,398 3.173,399 1.163,400 2.5,401 1.014,402 3.414,403 2,404 1,405 1.5,407 2.275,408 1,409 1.681,410 1,411 3.073,412 1.386,413 0.507,414 0.57,415 0.905,416 0.44,417 1.537,418 0.586,419 2.823,420 1.208,421 0.28,422 0.337,423 0.578,424 0.259,425 1.196,426 0.113,427 2.736,428 0.838,429 -0.111,430 -0.137,431 -0.288,432 -0.105,433 0.97,434 -0.176,435 2.604,436 0.527,437 -0.393,438 -0.51,439 -0.995,440 -0.361,441 0.757,442 -0.269,443 2.332,444 0.382,445 -0.547,446 -0.661,448 -1.133,449 -0.503,450 0.538,451 -0.369,452 2,453 0.26,454 -0.664,455 -0.758,457 -1.57,458 -0.611,459 11.233,460 0.468,461 0.682,462 0.028,463 34.25,464 1.427,465 18,466 0.75,467 16.25,468 0.677,469 17.227,470 0.718,471 25.967,472 0.59,473 24.743,474 1.031,475 6.951,476 0.29,477 4.539,478 0.189,479 0.205,481 0.392,485 1.055,486 1.433,487 0.83,488 1.114,489 1.235,490 0.955,491 1.045,492 0.791,493 0.734,494 0.712,495 0.574,496 0.689,497 1.098,498 1.389,499 1.01,500 1.191,501 0.885,502 1.103,503 0.694,504 1.2,505 1.087,506 1.317,507 0.654,508 1.28,509 0.878,510 0.929,511 1.108,512 0.975,513 1.132,514 1.046,515 0.659,516 0.831,517 0.928,518 0.982,519 0.821,520 0.991,521 1.293,522 0.968,523 1.045,524 0.925,525 1.022,526 0.955,527 0.942,528 1.047,529 1.116,530 1.128,531 1.163,532 1.137,533 5.5,534 0.132,535 3.111,536 2.125,537 1.831,538 0.847,539 0.506,540 0.342,541 0.254,542 0.127,543 6154,544 16920,545 2.015,546 45.5,547 3,548 12,550 1,551 4,555 1.667,556 1.846,557 3.341,558 1.819,559 1,560 1,562 1,564 68.78,565 1.563,566 3.768,567 4.635,568 4.817,569 4.817,570 4.817,571 2.851,572 4.304,573 4.555,574 3.468,575 957.3,576 7.853,577 11095.9,579 1,581 1,582 240.215,583 1.528,584 4.493,585 0.212,586 0.011,587 0.084,588 0.053,589 0.052,590 0.031,591 0.021,592 0.015,593 0.013,594 0.007,595 0.5,596 0.17,597 1,598 0.854,599 113.955,600 -0.123,601 -0.19,602 0.036,603 -0.05,604 -0.252,605 0.013,606 0.087,607 0.32,608 0.213,609 0.294,610 0.259,611 0.269,612 -0.171,613 -0.225,614 -0.121,615 -0.143,616 -0.106,617 -0.128,618 0.113,619 -0.142,620 -0.167,621 -0.295,622 0.166,623 -0.289,624 -0.093,625 0.023,626 -0.128,627 -0.025,628 -0.193,629 -0.067,630 0.09,631 0.078,632 0.051,633 0.008,634 0.012,635 0.022,636 -0.197,637 -0.035,638 -0.051,639 0.057,640 -0.103,641 0.027,642 -0.081,643 -0.074,644 -0.147,645 -0.159,646 -0.141,647 -0.158,648 1.532,649 2.002,650 0.667,651 19.708,652 1.003,653 1.139,654 2.665,655 7.1,656 0.655,657 3.296,658 3.638,659 3.912,660 4.159,661 4.369,662 4.431,663 4.454,664 4.489,665 4.605,666 4.543,667 5.951,668 0.626,669 324.43,670 3.296,671 4.844,672 5.7,673 6.586,674 7.458,675 8.348,676 9.225,677 10.118,678 10.999,679 11.893,680 13.6,684 2,686 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,714 1,716 1,718 44,719 17,720 1,721 26,723 46,724 17,725 13,726 2,727 4,729 3,730 4,734 1,741 13,742 4,753 1,754 1,757 20,758 7,759 4,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 3,810 24,811 2,816 1,818 1,821 1,829 2.3,834 1,836 13,837 8.8,838 5.306,839 2.306,840 3.296,841 1.467,842 0.989,843 4.513,844 10.351,845 3.57,846 4.234,847 4.86,848 5.466,849 6.044,850 6.322,851 6.622,852 6.959,853 7.351,854 7.426,855 1,856 40,857 8.777,859 3.613,860 7.722,861 16.644,863 13.155,865 2.222,866 53.333,870 188.338,871 100.049,872 119.275,874 11,877 100.049,878 199.338,879 119.275,880 28.105,881 2.106,882 103.699,883 62.128,884 41.831,885 4.227,886 176.567,888 188.338,889 219.325,890 11,893 190.053,894 11,897 21.877,898 145.375,899 50.357,901 188.338,902 130.275,903 100.049,906 188.338,907 24.992,908 78.181,910 127.151,911 188.338,912 130.275,913 100.049,915 0.588,916 0.353,917 0.187,918 0.098,919 18,920 9,921 0.087,922 4,923 1,924 1.125,925 3.529,926 194.324,927 0.125,928 16,929 106.039,933 16.43,934 6.593,935 3.28,936 1.276,937 130.275,938 9.711,939 12.56,943 4.472,945 65.794,946 418.662,947 34.5,956 44.123,957 50.106,958 0.286,959 0.69,960 0.849,961 0.882,962 0.882,963 0.882,964 4.806,965 1.243,966 5.707,967 3.809,968 4.317,969 4.92,970 1.382,971 6.538,972 4.215,973 6.044,974 1,975 7.287,976 3.173,977 4.007,978 4.856,979 0.325,980 7.486,981 3.864,982 7.372,983 0.507,984 8.964,985 2.275,986 5.938,987 7.213,988 1.115,989 10.584,990 5.754,991 8.736,992 0.28,993 10.695,994 0.905,995 6.399,996 7.941,997 0.393,998 12.342,999 6.186,1000 10.129,1001 -0.111,1002 12.463,1003 0.578,1004 7.836,1005 9.808,1006 0.921,1007 14.99,1008 7.591,1009 11.544,1010 -0.393,1011 14.256,1012 -0.288,1013 8.655,1014 10.929,1015 0.384,1016 17.11,1017 8.389,1018 12.977,1019 -0.547,1020 16.069,1021 -0.995,1022 9.903,1023 12.593,1024 0.764,1025 19.603,1026 9.61,1027 3.217,1028 -0.664,1029 17.898,1030 -1.133,1031 10.895,1032 13.919,1033 0.351,1034 21.888,1035 10.581,1036 2.837,1037 11.242,1038 19.74,1039 -1.57,1040 12.071,1041 15.497,1042 0.634,1043 24.327,1044 11.734,1045 2.53,1046 8.771,1047 21.594,1048 4.616,1049 13.146,1050 16.927,1051 0.312,1052 26.685,1053 12.788,1054 2.335,1055 7.727,1056 23.457,1057 3.69,1058 14.299,1059 18.47,1060 0.525,1061 29.107,1062 13.919,1063 2.037,1064 6.695,1065 25.328,1066 3.411,1067 15.414,1068 19.95,1069 0.273,1070 31.498,1071 15.012,1072 1.969,1073 5.908,1074 27.206,1075 2.906,1076 16.563,1077 21.481,1078 0.433,1079 33.915,1080 16.139,1081 1.425,1082 5.792,1083 29.09,1084 2.859,1085 17.698,1086 22.986,1087 0.236,1088 36.32,1089 17.252,1090 6057,1091 10164,1092 16.819,1093 28.819,1094 39.026,1095 39.322,1096 40.831,1097 38.754,1098 38.764,1099 51.83,1100 3.898,1101 113.75,1102 36.665,1103 5.488,1104 5.337,1105 6.388,1106 5.265,1107 5.217,1108 7.616,1109 1.776,1110 18.517,1111 5.134,1112 13.696,1113 1.501,1114 1.512,1115 1.57,1116 1.491,1117 1.491,1118 1.993,1119 0.15,1120 4.375,1121 1.41,1122 4.075,1123 4.115,1124 4.05,1125 3.962,1126 5.321,1127 3.978,1128 3.911,1129 3.942,1130 3.856,1131 3.821,1132 4.982,1133 3.825,1134 3.569,1135 3.634,1136 3.495,1137 3.378,1138 4.875,1139 3.401,1140 3.358,1141 3.437,1142 3.234,1143 3.114,1144 4.801,1145 3.13,1146 3.189,1147 3.275,1148 3.05,1149 2.942,1150 4.421,1151 2.949,1152 3.157,1153 3.255,1154 2.963,1155 2.895,1156 4.192,1157 2.897,1158 3.023,1159 3.153,1160 2.813,1161 2.735,1162 4.038,1163 2.723,1164 2.877,1165 2.986,1166 2.687,1167 2.706,1168 3.961,1169 2.715,1170 0.179,1171 0.128,1172 0.263,1173 0.161,1174 0.124,1175 4.656,1176 0.178,1177 3.337,1178 0.035,1179 6.837,1180 0.432,1181 4.19,1182 0.121,1183 3.217,1184 4.616,1185 0.916,1186 11.242,1187 3.134,1188 2,1189 1.969,1190 2.068,1191 2.135,1192 1.243,1193 2.114,1194 1.882,1195 1.856,1196 1.983,1197 2,1198 1.079,1199 1.996,1200 1.503,1201 1.441,1202 1.691,1203 1.733,1204 0.803,1205 1.724,1206 1.302,1207 1.221,1208 1.584,1209 1.581,1210 0.573,1211 1.588,1212 1.165,1213 1.079,1214 1.554,1215 1.463,1216 0.562,1217 1.497,1218 1.114,1219 1.021,1220 1.447,1221 1.399,1222 0.533,1223 1.408,1224 0.946,1225 0.827,1226 1.263,1227 1.337,1228 0.218,1229 1.341,1230 0.886,1231 0.821,1232 1.193,1233 1.163,1234 0.156,1235 1.191,1236 3.97,1238 5.303,1240 6.841,1242 8.473,1244 10.156,1246 5.674,1250 11.635,1252 0.685,1254 5.191,1257 2.129,1262 27.531,1263 68.78,1264 165.797,1265 203.95,1266 211.95,1267 211.95,1268 211.95,1269 32.573,1270 7.054,1271 103.18,1272 103.18,1273 18,1274 12.422,1275 4.17,1276 3.248,1277 39.391,1278 85,1279 98,1280 0.229,1281 173.003,1282 286.55,1283 413.887,1284 10186,1286 17.267,1287 0.719,1288 0.581,1289 17.267,1290 13.946,1291 11.49,1292 0.442,1293 0.289,1294 7.377,1295 10.962,1296 7.078,1297 5.959,1298 11.49,1299 7.517,1300 10.49,1301 0.284,1302 0.152,1303 10.49,1304 5.628,1305 8.888,1306 0.181,1307 0.083,1308 8.888,1309 4.055,1310 7.458,1311 0.118,1312 0.042,1313 7.458,1314 2.676,1315 5.599,1316 0.072,1317 0.022,1318 5.599,1319 1.694,1320 0.358,1321 72.565,1322 0.244,1323 23.376,1324 0.632,1325 126,1326 362.94,1327 139.12,1328 356.468,1329 495.18,1330 334,1331 149,1332 374.799,1333 161.983,1334 385.134,1335 558.41,1336 358,1337 7.886}
{0 CHEMBL264548,1 1.505,2 10.852,3 3.247,4 10.544,5 110.489,6 6.635,7 0.414,8 4.105,9 4.247,10 3.565,11 3.553,12 5.142,13 3.528,14 4.662,15 4.868,16 3.907,17 3.934,18 5.641,19 3.883,20 4.898,21 5.12,22 3.993,23 4.105,24 5.797,25 4.033,26 4.97,27 5.202,28 3.983,29 4.177,30 5.873,31 4.071,32 5.083,33 5.334,34 3.901,35 4.216,36 5.941,37 4.078,38 5.124,39 5.409,40 3.775,41 4.168,42 5.891,43 4.001,44 5.024,45 5.305,46 3.739,47 4.057,48 5.781,49 3.908,50 4.925,51 5.192,52 3.653,53 3.968,54 5.758,55 3.831,56 0.053,57 0.821,58 13.465,59 4.791,60 11.54,61 7.143,62 0.295,63 1.244,64 24.517,65 8.192,66 33.156,67 12.022,68 0.397,69 1.496,70 31.38,71 9.608,72 33.16,73 14.801,74 0.367,75 1.63,76 33.325,77 10.838,78 39.702,79 16.724,80 0.484,81 1.711,82 37.686,83 11.707,84 47.899,85 18.432,86 0.518,87 1.63,88 39.64,89 12.499,90 49.475,91 19.248,92 0.39,93 1.428,94 35.844,95 11.453,96 39.459,97 17.441,98 0.466,99 1.32,100 32.75,101 9.905,102 45.607,103 15.12,104 34,105 40,106 0.251,107 0.582,108 0.786,109 0.83,110 0.842,111 0.86,112 3.34,113 0.986,114 -3.94,115 -3.89,116 -3.69,119 35.7,120 2,121 3,122 1,124 1,125 3,139 3,140 1,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 10,172 3,173 3,175 1,178 5,180 1,181 1,182 9,187 1,189 3,191 1,192 1,193 6,195 1,196 1,197 1,198 4,200 2,201 4,204 4,205 1,206 1,207 3,212 3,215 6,218 3,220 2,221 4,223 1,224 1,226 1,229 5,231 1,234 6,241 5,246 4,248 1,249 1,251 1,254 5,256 1,259 2,260 2,262 1,263 1,265 1,268 5,270 1,273 1111,274 18.187,275 18.187,276 18.187,277 18.187,278 18.187,279 16.659,280 27.313,281 10.881,282 18.891,283 14.257,284 14.257,285 14.257,286 14.257,287 14.257,288 11.852,289 34.84,290 5.02,291 15.229,292 4.302,293 2.315,294 1.09,295 0.826,296 0.755,297 0.648,298 4.021,301 1,302 1,303 615,304 3.464,307 236.359,311 122.326,314 1.509,315 22.265,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 58.5,327 293,328 4.419,329 3.312,330 6.509,331 4.059,332 3.092,333 4.091,334 0.86,335 10.201,336 2.997,337 4.339,338 3.25,339 6.472,340 3.967,341 3.018,342 3.956,343 0.86,344 10.054,345 2.86,346 3.644,347 2.777,348 5.422,349 3.423,350 2.465,351 2.916,352 0.8,353 7.164,354 2.364,355 3.549,356 2.613,357 5.257,358 3.212,359 2.288,360 2.832,362 6.673,363 2.104,364 3.356,365 2.363,366 5.065,367 3.004,368 2.085,369 2.567,371 5.903,372 1.911,373 3.288,374 2.221,375 5.026,376 2.939,377 1.999,378 2.451,380 5.794,381 1.878,382 3.034,383 2.053,384 4.888,385 2.791,386 1.851,387 2.124,389 5.347,390 1.728,391 2.37,392 1.641,393 3.86,394 2.103,395 1.204,396 1.339,398 2.765,399 1.07,400 2.265,401 1.38,402 3.708,403 2.014,404 1.039,405 1.252,407 2.565,408 1.011,409 2.093,410 1.301,411 3.313,412 1.973,413 1,414 1.069,415 2.164,416 0.971,417 2.085,418 1.118,419 3.09,420 1.923,421 1,422 1.06,423 1.658,424 0.913,425 1.357,426 0.414,427 2.897,428 1.145,429 0.193,430 0.214,431 0.464,432 0.183,433 1.223,434 0.299,435 2.665,436 0.973,437 0.039,438 0.044,439 0.071,440 0.036,441 0.895,442 -0.192,443 2.512,444 0.544,445 -0.388,446 -0.449,448 -0.795,449 -0.36,450 0.711,451 -0.254,452 2.323,453 0.452,454 -0.479,455 -0.546,457 -1.059,458 -0.443,459 12.667,460 0.469,461 0.66,462 0.024,463 32.25,464 1.194,465 14.5,466 0.537,467 17.75,468 0.657,469 25.981,470 0.962,471 31.133,472 0.556,473 23.134,474 0.857,475 5.996,476 0.222,477 7.015,478 0.26,479 0.182,481 0.347,485 1.008,486 1.494,487 0.928,488 1.266,489 1.184,490 1.101,491 1.081,492 1.024,493 0.872,494 1.003,495 0.593,496 0.927,497 1.33,498 1.107,499 1.016,500 0.98,501 1.001,502 0.963,503 0.885,504 1.189,505 1.074,506 1.191,507 0.853,508 1.162,509 0.989,510 1.146,511 1.181,512 1.175,513 1.158,514 1.196,515 0.961,516 0.851,517 1.062,518 1.007,519 1.019,520 1.043,521 1.082,522 0.948,523 0.925,524 0.977,525 0.751,526 0.948,527 1.397,528 0.903,529 1.105,530 0.957,531 1.206,532 0.998,533 6,534 0.173,535 2.889,536 2,537 1.991,538 0.903,539 0.629,540 0.342,541 0.312,542 0.227,543 8289,544 19959,545 2.014,546 51.8,547 4,548 12,551 4,552 2,553 7,555 1.703,556 1.862,557 3.404,558 1.698,559 1,560 1,564 84.282,565 1.505,566 3.493,567 4.718,568 4.981,569 5.053,570 5.16,571 2.834,572 4.533,573 4.726,574 3.54,575 1242.48,576 8.217,577 15989.5,579 1,581 1,582 325.212,583 1.487,584 4.672,585 0.207,586 0.009,587 0.072,588 0.047,589 0.049,590 0.025,591 0.02,592 0.011,593 0.011,594 0.009,595 0.459,596 0.17,597 1,598 1.183,599 133.683,600 -0.064,601 -0.158,602 0.049,603 -0.067,604 -0.152,605 0.003,606 0.058,607 0.115,608 0.13,609 0.074,610 0.273,611 0.102,612 -0.12,613 -0.024,614 -0.007,615 0.059,616 -0.072,617 0.042,618 -0.001,619 -0.08,620 -0.104,621 -0.138,622 0.009,623 -0.138,624 -0.065,625 -0.098,626 -0.208,627 -0.158,628 -0.193,629 -0.195,630 -0.048,631 0.097,632 -0.092,633 -0.032,634 -0.144,635 -0.063,636 -0.053,637 -0.054,638 0.052,639 0.017,640 0.033,641 0.044,642 -0.169,643 0.031,644 -0.1,645 0.018,646 -0.146,647 -0.028,648 1.407,649 2.318,650 0.593,651 24.176,652 0.996,653 1.141,654 2.707,655 7.33,656 0.626,657 3.401,658 3.714,659 3.97,660 4.248,661 4.477,662 4.511,663 4.595,664 4.615,665 4.718,666 4.691,667 6.364,668 0.587,669 371.54,670 3.401,671 4.934,672 5.778,673 6.658,674 7.522,675 8.408,676 9.28,677 10.166,678 11.042,679 11.927,680 8.9,684 2,686 1,690 2,695 3,696 2,700 7,702 12,711 2,714 1,716 2,718 56,719 12,720 1,721 29,723 58,724 20,725 10,726 3,727 3,729 3,730 4,734 2,736 3,737 1,739 3,741 10,742 10,743 1,754 1,757 29,758 7,759 4,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 3,810 27,811 2,816 6,818 2,820 1,821 1,829 3.6,834 2,836 14.5,837 10.683,838 6.111,839 3.599,840 2.303,841 1.316,842 0.953,843 6.527,844 9.602,845 3.584,846 4.143,847 4.668,848 5.198,849 5.684,850 5.782,851 5.888,852 5.991,853 6.219,854 6.35,855 1,856 43,857 9.968,859 4.082,860 7.611,861 19.361,863 15.588,865 2.111,866 57,869 1,870 294.278,871 96.783,872 102.49,874 22,877 96.783,878 316.277,879 102.49,880 26.047,881 18.894,882 94.223,883 33.571,884 44.31,885 4.227,886 294.278,888 294.278,889 199.272,890 22,893 211.88,894 104.397,897 41.2,898 124.501,899 33.571,901 294.278,902 124.49,903 96.783,906 294.278,907 42.307,908 57.6,910 121.365,911 294.278,912 124.49,913 96.783,915 0.57,916 0.335,917 0.194,918 0.11,919 18,920 9,921 0.121,922 7,923 1,924 1.125,925 3.785,926 226.055,927 0.125,928 16,929 128.382,933 19.867,934 8.87,935 4.697,937 124.49,938 5.972,939 8.477,943 5.568,945 65.794,946 515.55,947 35,956 55.767,957 63.893,958 0.259,959 0.601,960 0.812,961 0.858,962 0.87,963 0.888,964 4.828,965 1.204,966 5.765,967 5.347,968 4.394,969 4.828,970 1.593,971 6.575,972 4.281,973 6.015,974 1.039,975 7.323,976 2.765,977 4.007,978 4.677,979 0.325,980 7.455,981 3.85,982 7.316,983 1,984 8.979,985 2.565,986 5.984,987 6.97,988 1.294,989 10.555,990 5.781,991 8.651,992 1,993 10.691,994 2.164,995 6.382,996 7.603,997 0.268,998 12.24,999 6.138,1000 10.017,1001 0.193,1002 12.439,1003 1.658,1004 7.847,1005 9.417,1006 1.061,1007 14.859,1008 7.57,1009 11.406,1010 0.039,1011 14.212,1012 0.464,1013 8.621,1014 10.419,1015 0.188,1016 16.898,1017 8.303,1018 12.812,1019 -0.388,1020 16.003,1021 0.071,1022 9.876,1023 12.027,1024 0.861,1025 19.337,1026 9.528,1027 3.092,1028 -0.479,1029 17.809,1030 -0.795,1031 10.832,1032 13.217,1033 0.125,1034 21.534,1035 10.444,1036 3.018,1037 10.201,1038 19.627,1039 -1.059,1040 12.001,1041 14.725,1042 0.69,1043 23.901,1044 11.582,1045 2.465,1046 10.054,1047 21.455,1048 4.091,1049 13.043,1050 16.012,1051 0.082,1052 26.166,1053 12.585,1054 2.288,1055 7.164,1056 23.29,1057 3.956,1058 14.178,1059 17.469,1060 0.544,1061 28.503,1062 13.688,1063 2.085,1064 6.673,1065 25.132,1066 2.916,1067 15.261,1068 18.806,1069 0.054,1070 30.797,1071 14.733,1072 1.999,1073 5.903,1074 26.979,1075 2.832,1076 16.384,1077 20.236,1078 0.424,1079 33.122,1080 15.822,1081 1.851,1082 5.794,1083 28.831,1084 2.567,1085 17.485,1086 21.601,1087 0.035,1088 35.428,1089 16.886,1090 8210,1091 12859,1092 18.898,1093 35.074,1094 42.662,1095 43.39,1096 44.805,1097 42.575,1098 42.546,1099 51.833,1100 5.04,1101 121.644,1102 40.049,1103 5.364,1104 5.312,1105 6.282,1106 5.131,1107 5.092,1108 7.091,1109 1.72,1110 17.095,1111 4.997,1112 15.149,1113 1.471,1114 1.496,1115 1.545,1116 1.468,1117 1.467,1118 1.787,1119 0.174,1120 4.195,1121 1.381,1122 4.019,1123 4.063,1124 3.96,1125 3.902,1126 5.282,1127 3.909,1128 3.916,1129 3.943,1130 3.873,1131 3.811,1132 4.978,1133 3.82,1134 3.599,1135 3.668,1136 3.494,1137 3.405,1138 4.903,1139 3.421,1140 3.502,1141 3.564,1142 3.337,1143 3.281,1144 4.564,1145 3.279,1146 3.426,1147 3.508,1148 3.23,1149 3.232,1150 4.465,1151 3.215,1152 3.32,1153 3.411,1154 3.142,1155 3.109,1156 4.25,1157 3.108,1158 3.159,1159 3.261,1160 3.016,1161 2.945,1162 4.105,1163 2.943,1164 2.995,1165 3.109,1166 2.792,1167 2.742,1168 3.923,1169 2.748,1170 0.152,1171 0.114,1172 0.224,1173 0.14,1174 0.107,1175 4.419,1176 0.141,1177 3.312,1178 0.03,1179 6.509,1180 0.352,1181 4.059,1182 0.103,1183 3.092,1184 4.091,1185 0.86,1186 10.201,1187 2.997,1188 1.955,1189 1.916,1190 2.094,1191 2.097,1192 1.456,1193 2.096,1194 1.875,1195 1.852,1196 1.974,1197 2.007,1198 1.11,1199 1.995,1200 1.541,1201 1.476,1202 1.802,1203 1.776,1204 0.94,1205 1.772,1206 1.478,1207 1.41,1208 1.776,1209 1.731,1210 0.928,1211 1.753,1212 1.43,1213 1.35,1214 1.695,1215 1.657,1216 0.853,1217 1.687,1218 1.3,1219 1.212,1220 1.585,1221 1.552,1222 0.748,1223 1.577,1224 1.135,1225 1.049,1226 1.467,1227 1.412,1228 0.62,1229 1.42,1230 0.96,1231 0.854,1232 1.288,1233 1.29,1234 0.333,1235 1.317,1236 4.078,1238 5.389,1240 6.903,1242 8.518,1244 10.187,1246 6.067,1250 11.804,1252 4.935,1254 11.484,1256 0.46,1257 2.234,1262 32.858,1263 84.282,1264 195.595,1265 264.192,1266 278.947,1267 282.947,1268 288.947,1269 45.252,1270 7.298,1271 99.52,1272 99.52,1273 18,1274 12.461,1275 3.7,1276 2.807,1277 46.905,1278 103,1279 102,1280 0.223,1281 204.837,1282 352.42,1283 491.561,1284 14162,1286 19.389,1287 0.718,1288 0.606,1289 19.389,1290 16.365,1291 13.012,1292 0.449,1293 0.329,1294 9.379,1295 12.407,1296 9.085,1297 7.567,1298 13.012,1299 9.529,1300 11.55,1301 0.289,1302 0.172,1303 11.55,1304 6.877,1305 9.316,1306 0.179,1307 0.094,1308 9.316,1309 4.909,1310 8.141,1311 0.118,1312 0.054,1313 8.141,1314 3.701,1315 6.511,1316 0.075,1317 0.03,1318 6.511,1319 2.638,1320 0.349,1321 81.939,1322 0.23,1323 25.815,1324 0.618,1325 138,1326 377.031,1327 153.551,1328 360.358,1329 500.95,1330 340,1331 161,1332 378.698,1333 175.86,1334 379.716,1335 555.67,1336 358,1337 6.936}
{0 CHEMBL266024,1 1.791,2 10.208,3 4.999,4 24.986,5 86.26,6 8.253,7 0.462,8 3.841,9 3.965,10 3.462,11 3.315,12 5.04,13 3.337,14 4.411,15 4.567,16 3.956,17 3.723,18 6.161,19 3.713,20 4.606,21 4.815,22 3.798,23 3.886,24 5.616,25 3.819,26 4.719,27 4.959,28 3.808,29 3.871,30 5.839,31 3.793,32 4.73,33 4.979,34 3.689,35 3.781,36 5.9,37 3.712,38 4.625,39 4.897,40 3.543,41 3.637,42 5.73,43 3.555,44 4.47,45 4.741,46 3.382,47 3.422,48 5.594,49 3.366,50 4.159,51 4.379,52 3.406,53 3.18,54 5.476,55 3.214,56 0.187,57 0.834,58 7.22,59 3.666,60 36.64,61 4.231,62 1.173,63 1.489,64 16.24,65 6.779,66 165.777,67 8.215,68 0.491,69 1.317,70 19.89,71 7.899,72 60.701,73 10.779,74 0.613,75 1.437,76 24.364,77 8.853,78 75.962,79 12.212,80 0.877,81 1.433,82 26.582,83 8.151,84 121.001,85 10.638,86 0.737,87 1.226,88 25.042,89 7.48,90 104.453,91 10.336,92 0.838,93 0.994,94 23.307,95 6.526,96 121.936,97 8.365,98 0.513,99 0.938,100 14.358,101 4.085,102 76.045,103 4.883,104 28,105 38,106 0.319,107 0.659,108 0.779,109 0.864,110 0.881,111 0.881,112 3.228,113 0.872,114 -4.62,115 -4.54,116 -4.27,119 39,121 4,122 1,132 1,139 4,140 2,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 5,172 3,173 3,175 1,178 13,180 1,182 5,187 1,189 11,191 1,193 5,195 1,196 1,197 1,198 4,200 2,201 8,204 4,205 1,207 4,212 4,215 7,218 4,221 4,226 2,229 4,231 2,234 6,239 3,241 2,243 3,246 2,251 2,256 2,259 2,260 2,262 1,263 1,265 3,270 3,273 762,274 15.428,275 15.428,276 15.428,277 15.428,278 15.428,279 13.875,280 19.028,281 8.927,282 16.045,283 12.893,284 12.893,285 12.893,286 12.893,287 12.893,288 10.558,289 19.935,290 4.324,291 14.038,292 3.567,293 1.659,294 0.982,295 0.506,296 0.409,297 0.409,298 3.905,301 1,302 1,303 517,304 3.391,307 201.01,311 104.701,314 1.559,315 38.234,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 55.5,327 245,328 4.418,329 4.437,330 6.503,331 4.053,332 3.142,333 4.092,334 4.032,335 10.205,336 2.998,337 4.218,338 3.273,339 6.457,340 3.908,341 3.081,342 3.696,343 0.394,344 10.178,345 2.68,346 3.959,347 2.904,348 5.642,349 3.637,350 2.675,351 3.1,353 7.885,354 2.367,355 3.564,356 2.529,357 5.265,358 3.299,359 2.344,360 2.834,362 6.766,363 2.178,364 3.366,365 2.301,366 5.063,367 2.993,368 2.062,369 2.585,371 5.883,372 1.906,373 3.297,374 2.221,375 4.995,376 2.934,377 1.987,378 2.537,380 5.793,381 1.875,382 3.039,383 1.947,384 4.768,385 2.748,386 1.783,387 2.129,389 5.262,390 1.704,391 2.656,392 1.305,393 3.709,394 2.185,395 1.193,396 1.727,398 2.63,399 1.181,400 2.091,401 1.258,402 3.503,403 1.981,404 1.006,405 1.066,407 2.565,408 0.978,409 1.428,410 0.51,411 3.116,412 1.221,413 0.25,414 0.282,415 0.653,416 0.242,417 1.135,418 0.51,419 2.991,420 0.783,421 -0.1,422 -0.117,423 -0.286,424 -0.086,425 1.008,426 0.487,427 2.684,428 0.708,429 -0.245,430 -0.292,431 -0.68,432 -0.234,433 0.844,434 0.387,435 2.517,436 0.474,437 -0.454,438 -0.558,439 -1.17,440 -0.419,441 0.486,442 -0.041,443 2.27,444 0.175,445 -0.802,446 -0.863,448 -2.033,449 -0.7,450 0.357,451 -0.292,452 2,453 0.141,454 -0.817,455 -0.963,457 -2.383,458 -0.7,459 10.79,460 0.45,461 0.873,462 0.036,463 29.25,464 1.219,465 13.5,466 0.563,467 15.75,468 0.656,469 19.808,470 0.825,471 27.61,472 0.673,473 21.899,474 0.912,475 5.629,476 0.235,477 5.67,478 0.236,479 0.154,480 0.046,481 0.324,484 3,485 0.674,486 0.999,487 0.688,488 1.052,489 0.685,490 0.913,491 0.149,492 0.579,493 0.616,494 0.981,495 0.178,496 1.011,497 0.462,498 0.77,499 0.86,500 1.123,501 0.339,502 1.155,503 0.501,504 0.855,505 0.836,506 1.168,507 0.427,508 1.159,509 0.966,510 0.938,511 1.141,512 1.038,513 0.935,514 1.123,515 0.783,516 0.843,517 0.948,518 0.968,519 0.759,520 1.003,521 1.172,522 0.899,523 1.014,524 0.806,525 1.115,526 0.838,527 1.29,528 1.27,529 1.053,530 1.065,531 1.237,532 0.972,533 7.5,534 0.215,535 2,536 2.063,537 1.56,538 0.653,539 0.584,540 0.302,541 0.288,542 0.182,543 6286,544 23822,545 2.005,546 41.5,547 7,548 4,551 4,552 2,555 1.666,556 1.834,557 3.315,558 1.86,564 73.418,565 1.791,566 3.698,567 4.375,568 4.851,569 4.949,570 4.949,571 2.736,572 4.054,573 4.559,574 3.486,575 962.269,576 7.852,577 11376.9,579 1,582 219.66,583 1.697,584 4.483,585 0.288,586 0.017,587 0.053,588 0.059,589 0.047,590 0.023,591 0.024,592 0.014,593 0.014,594 0.01,595 0.55,596 0.17,597 1,598 1.045,599 114.613,600 -0.087,601 -0.019,603 0.05,604 -0.129,605 0.073,606 0.714,607 0.46,608 0.216,609 0.1,610 0.631,611 -0.023,612 -0.003,613 -0.057,614 -0.064,615 -0.103,616 0.029,617 -0.108,618 0.05,619 -0.135,620 0.04,621 -0.179,622 0.088,623 -0.107,624 -0.15,625 -0.084,626 -0.186,627 -0.083,628 -0.123,629 -0.125,630 -0.053,631 -0.088,632 0.031,633 -0.027,634 -0.042,635 0.029,636 -0.158,637 -0.028,638 0.053,639 0.161,640 -0.147,641 0.19,642 -0.228,643 -0.273,644 -0.068,645 -0.132,646 -0.209,647 -0.048,648 5.936,649 4.314,650 0.667,651 19.729,652 1.033,653 1.16,654 3.393,655 11.509,656 0.643,657 3.296,658 3.664,659 3.807,660 4.111,661 4.317,662 4.357,663 4.431,664 4.554,665 4.615,666 4.615,667 6.094,668 0.638,669 338.37,670 3.296,671 4.86,672 5.68,673 6.578,674 7.415,675 8.312,676 9.157,677 10.052,678 10.903,679 11.796,680 9.8,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 1,718 41,719 12,720 1,721 26,723 43,724 16,725 10,726 2,727 4,729 3,730 4,736 3,737 1,739 4,741 10,742 6,743 1,755 3,757 17,758 8,759 4,760 8,764 4,769 0.667,770 1,776 1,781 3,785 1,802 2,808 3,810 24,811 2,816 4,818 1,820 1,822 1,828 3,829 2.4,834 1,836 13.083,837 7.079,838 5.014,839 2.363,840 2.303,841 1.323,842 0.989,843 4.549,844 9.425,845 3.497,846 4.094,847 4.538,848 5.092,849 5.563,850 5.649,851 5.775,852 6.071,853 6.301,854 6.547,855 0.857,856 35,857 9.373,859 4.443,860 8.337,861 16.252,863 13.481,865 2.837,866 68.083,869 1,870 153.024,871 76.459,872 99.365,874 11,875 44.88,877 76.459,878 164.024,879 144.246,881 10.138,882 103.699,883 33.571,884 70.252,885 4.227,886 153.024,887 9.817,888 153.024,889 175.824,890 55.88,893 153.024,894 11,895 44.88,896 9.817,897 14.794,898 117.642,899 33.571,901 197.905,902 110.365,903 76.459,906 162.842,907 28.736,908 37.905,910 155.246,911 153.024,912 155.246,913 76.459,915 0.597,916 0.305,917 0.171,918 0.095,919 19,920 9,921 0.07,922 3,923 1,924 1.125,925 3.556,926 191.756,927 0.125,928 16,929 105.284,933 16.844,934 6.481,935 4.308,937 155.246,938 6.07,939 8.194,943 2.901,945 65.794,946 384.729,947 32,956 42.341,957 47.543,958 0.334,959 0.69,960 0.817,961 0.906,962 0.924,963 0.924,964 4.771,965 1.193,966 5.727,967 5.262,968 4.344,969 4.779,970 3.176,971 6.55,972 4.2,973 6,974 1.006,975 7.296,976 2.63,977 4.205,978 4.718,979 4.042,980 7.627,981 3.862,982 7.324,983 0.25,984 8.964,985 2.565,986 6.014,987 6.923,988 5.634,989 10.568,990 5.711,991 8.671,992 -0.1,993 10.685,994 0.653,995 6.567,996 7.535,997 6.952,998 12.364,999 6.06,1000 10.041,1001 -0.245,1002 12.441,1003 -0.286,1004 7.955,1005 9.331,1006 8.373,1007 14.904,1008 7.475,1009 11.428,1010 -0.454,1011 14.218,1012 -0.68,1013 8.817,1014 10.28,1015 9.758,1016 17,1017 8.171,1018 12.828,1019 -0.802,1020 16.013,1021 -1.17,1022 10.044,1023 11.889,1024 11.156,1025 19.401,1026 9.395,1027 3.142,1028 -0.817,1029 17.82,1030 -2.033,1031 11.051,1032 13.028,1033 12.548,1034 21.626,1035 10.276,1036 3.081,1037 10.205,1038 19.638,1039 -2.383,1040 12.215,1041 14.539,1042 13.943,1043 23.976,1044 11.414,1045 2.675,1046 10.178,1047 21.465,1048 4.092,1049 13.288,1050 15.787,1051 15.337,1052 26.255,1053 12.392,1054 2.344,1055 7.885,1056 23.299,1057 3.696,1058 14.429,1059 17.245,1060 16.732,1061 28.586,1062 13.493,1063 2.062,1064 6.766,1065 25.138,1066 3.1,1067 15.533,1068 18.556,1069 18.126,1070 30.889,1071 14.522,1072 1.987,1073 5.883,1074 26.983,1075 2.834,1076 16.666,1077 19.985,1078 19.52,1079 33.213,1080 15.609,1081 1.783,1082 5.793,1083 28.831,1084 2.585,1085 17.785,1086 21.333,1087 20.915,1088 35.526,1089 16.666,1090 6196,1091 12280,1092 16.701,1093 26.381,1094 39.462,1095 39.047,1096 39.714,1097 39.377,1098 39.045,1099 48.099,1100 8.852,1101 115.639,1102 36.217,1103 5.363,1104 6.437,1105 6.053,1106 5.125,1107 5.142,1108 7.092,1109 5.542,1110 17.099,1111 4.998,1112 14.08,1113 1.518,1114 1.502,1115 1.527,1116 1.515,1117 1.502,1118 1.85,1119 0.34,1120 4.448,1121 1.393,1122 4.022,1123 4.063,1124 3.961,1125 3.929,1126 8.516,1127 3.928,1128 3.887,1129 3.917,1130 3.842,1131 3.789,1132 7.999,1133 3.795,1134 3.55,1135 3.615,1136 3.489,1137 3.363,1138 7.999,1139 3.377,1140 3.402,1141 3.435,1142 3.39,1143 3.036,1144 5.282,1145 3.081,1146 3.183,1147 3.274,1148 3.03,1149 2.943,1150 4.978,1151 2.987,1152 3.094,1153 3.192,1154 2.957,1155 2.858,1156 4.8,1157 2.874,1158 2.858,1159 2.972,1160 2.695,1161 2.643,1162 4.46,1163 2.649,1164 2.804,1165 2.872,1166 2.637,1167 2.583,1168 4.16,1169 2.597,1170 0.17,1171 0.171,1172 0.25,1173 0.156,1174 0.121,1175 4.418,1176 0.157,1177 4.437,1178 0.155,1179 6.503,1180 0.392,1181 4.053,1182 0.115,1183 3.142,1184 4.092,1185 4.032,1186 10.205,1187 2.998,1188 1.979,1189 1.945,1190 2.115,1191 2.099,1192 1.469,1193 2.103,1194 1.858,1195 1.829,1196 1.968,1197 1.977,1198 1.113,1199 1.972,1200 1.49,1201 1.429,1202 1.643,1203 1.717,1204 0.787,1205 1.706,1206 1.199,1207 1.13,1208 1.497,1209 1.537,1210 0.74,1211 1.453,1212 1.07,1213 1.033,1214 1.321,1215 1.419,1216 0.398,1217 1.392,1218 1.017,1219 0.946,1220 1.206,1221 1.342,1222 0.175,1223 1.338,1224 0.839,1225 0.739,1226 1.153,1227 1.154,1228 0.087,1229 1.19,1230 0.746,1231 0.67,1232 1.061,1233 1.018,1235 1.042,1236 3.97,1238 5.323,1240 6.847,1242 8.454,1244 10.105,1248 36.941,1250 11.515,1252 2.924,1254 3.966,1256 0.258,1258 -4.686,1262 26.165,1263 73.418,1264 151.621,1265 179.395,1266 198.905,1267 202.905,1268 202.905,1269 49.548,1270 7.122,1271 87.05,1272 87.05,1273 18,1274 12.331,1275 3.7,1276 2.807,1277 39.408,1278 89,1279 76,1280 0.221,1281 159.271,1282 281.64,1283 380.382,1284 11366,1285 7.3,1286 17.32,1287 0.722,1288 0.534,1289 14.82,1290 12.806,1291 11.299,1292 0.435,1293 0.291,1294 7.401,1295 10.684,1296 7.315,1297 6.001,1298 10.152,1299 7.554,1300 11.556,1301 0.304,1302 0.155,1303 9.199,1304 5.9,1305 7.826,1306 0.178,1307 0.093,1308 7.502,1309 4.081,1310 7.124,1311 0.119,1312 0.052,1313 6.444,1314 3.107,1315 5.545,1316 0.075,1317 0.031,1318 5.179,1319 2.259,1320 0.348,1321 72.198,1322 0.245,1323 23.453,1324 0.602,1325 128,1326 559.984,1327 157.432,1328 460.142,1329 597.36,1330 424,1331 146,1332 422.597,1333 164.047,1334 407.095,1335 614.38,1336 380,1337 7.102}
{0 CHEMBL266320,1 1.739,2 4.769,3 1.62,4 2.623,5 53.266,6 9.732,7 0.786,8 3.154,9 3.287,10 2.923,11 2.714,12 4.457,13 2.723,14 3.548,15 3.692,16 3.327,17 3.074,18 4.905,19 3.058,20 3.727,21 3.897,22 3.406,23 3.154,24 4.985,25 3.126,26 3.656,27 3.822,28 3.397,29 2.979,30 5.143,31 2.934,32 3.527,33 3.767,34 2.516,35 2.626,36 4.735,37 2.486,38 3.108,39 3.45,40 1.882,41 1.978,42 4.085,43 1.744,44 2.293,45 2.609,46 0.583,47 1.259,48 3.055,49 0.947,50 1.02,51 1.365,52 0.014,53 0.255,54 1.099,55 0.13,56 0.082,57 0.333,58 2.511,59 1.267,60 11.414,61 1.361,62 0.139,63 0.478,64 4.382,65 2.396,66 13.58,67 2.923,68 0.185,69 0.511,70 7.669,71 2.642,72 18.694,73 2.953,74 0.237,75 0.429,76 8.074,77 2.576,78 24.75,79 3.08,80 0.235,81 0.33,82 9.859,83 2.196,84 27.808,85 2.417,86 0.153,87 0.17,88 7.844,89 1.99,90 19.787,91 2.929,92 0.083,93 0.051,94 5.754,95 1.035,96 9.965,97 1.387,98 0.014,99 0.01,100 1.055,101 0.23,102 1.89,103 0.378,104 10,105 20,106 0.368,107 0.687,108 0.779,109 0.872,110 0.872,111 0.872,112 2.672,113 0.864,114 -3.61,115 -3.58,116 -3.41,119 40,139 3,140 1,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 3,172 3,173 3,175 1,178 5,180 1,182 1,189 2,193 5,195 1,196 1,197 1,198 5,200 2,201 1,204 5,205 1,207 1,212 2,218 2,226 2,231 2,273 115,274 8.5,275 8.5,276 8.5,277 8.5,278 8.5,279 7.091,280 7.926,281 4.924,282 8.789,283 6.895,284 6.895,285 6.895,286 6.895,287 6.895,288 4.84,289 9.407,290 2.314,291 7.425,292 2.583,293 1.075,294 0.638,295 0.2,296 0.2,297 0.2,298 3.303,299 1,301 1,302 1,303 128,304 1.581,307 50.688,311 43.706,314 0.746,315 13.393,318 1,319 0.67,320 0.83,321 0.4,323 1,324 1,325 0.7,326 28.333,327 62,328 4.604,329 3.311,330 6.732,331 4.1,332 3.147,333 4.566,335 10.876,336 2.988,337 3.693,338 2.607,339 5.229,340 3.194,341 2.301,342 3.152,344 6.442,345 2.039,346 3.447,347 2.078,348 5.06,349 2.956,350 2.009,351 2.858,353 5.816,354 1.897,355 3.102,356 2.04,357 4.636,358 2.623,359 1.721,360 2.33,362 4.639,363 1.508,364 2.641,365 1.263,366 3.681,367 2.153,368 1.195,369 1.701,371 2.726,372 1.114,373 1.285,374 0.396,375 2.727,376 0.83,377 -0.092,378 -0.118,380 -0.239,381 -0.077,382 1.168,383 -0.042,384 2.573,385 0.639,386 -0.208,387 -0.279,389 -0.504,390 -0.155,391 0.792,392 -0.311,393 2.333,394 0.358,395 -0.529,396 -0.639,398 -1.252,399 -0.459,400 0.375,401 -0.791,402 1.749,403 0.023,404 -0.915,405 -1.224,407 -2.329,408 -0.845,409 -0.066,410 -1.087,411 1.457,412 -0.585,413 -1.369,414 -1.767,415 -3.4,416 -1.096,417 -0.22,418 -1.408,419 1.264,420 -0.59,421 -1.519,422 -2.051,423 -4.15,424 -1.398,425 -0.321,426 -1.695,427 1.095,428 -0.829,429 -1.739,430 -2.529,431 -5.153,432 -1.643,433 -0.5,434 -2,435 1,436 -1,437 -2,438 -3,439 -6.572,440 -1.873,441 -0.5,442 -2,443 0.464,444 -1.072,445 -2,446 -3,448 -6.899,449 -2,459 6.314,460 0.486,461 0.404,462 0.031,463 19.75,464 1.519,465 11,466 0.846,467 8.75,468 0.673,469 6.604,470 0.508,471 13.486,472 0.674,473 11.123,474 0.856,475 3.915,476 0.301,477 2.266,478 0.174,479 0.24,481 0.396,485 1.043,486 1.111,487 0.557,488 0.596,489 1.3,490 0.604,491 0.447,492 0.865,493 0.527,494 0.771,495 0.412,496 0.759,497 1.266,498 1.171,499 0.96,500 0.834,501 1.077,502 0.827,503 0.722,504 1.332,505 1.088,506 1.422,507 0.61,508 1.267,509 1.818,510 0.969,511 1.724,512 1.301,513 1.955,514 1.471,515 0.477,516 0.658,517 0.6,518 0.84,519 0.615,520 0.914,521 1.513,522 0.375,523 2.245,524 1.396,525 1.457,526 1.283,533 3,535 1.556,536 1.563,537 0.858,538 0.264,539 0.04,543 908,544 3473,545 1.992,546 35,548 3,551 4,555 1.492,556 1.814,557 2.331,558 2.492,562 1,564 34.787,565 1.739,566 3.246,567 3.684,568 4.122,569 4.122,570 4.122,571 1.826,572 3.547,573 3.68,574 2.341,575 182.572,576 6.128,577 1348.12,579 1,582 86.439,583 1.549,584 3.601,585 0.214,587 0.078,588 0.078,589 0.054,590 0.044,591 0.02,595 0.488,596 0.5,597 1,598 0.773,599 45.596,600 -0.313,601 0.065,602 -0.04,603 0.207,604 -0.47,605 0.157,606 0.3,607 0.246,608 0.112,609 0.102,610 0.27,611 0.084,612 -0.33,613 -0.14,614 -0.074,615 0.072,616 -0.263,617 0.035,618 0.357,619 -0.361,620 0.002,621 -0.488,622 0.45,623 -0.389,624 -0.675,625 -0.077,626 -0.6,627 -0.361,628 -0.738,629 -0.539,630 0.39,631 -0.021,632 0.437,633 0.266,634 0.4,635 0.384,636 -0.235,637 0.098,638 -0.376,639 -0.062,640 -0.243,641 0.127,642 0.75,643 0.343,644 1.163,645 1.326,646 0.859,647 1.704,648 1.507,649 1.803,650 0.769,651 4.757,652 1.025,653 1.138,654 2.375,655 5.642,656 0.72,657 2.708,658 3.045,659 3.296,660 3.584,661 3.689,662 3.638,663 3.367,664 3.332,665 3.091,666 2.485,667 3.105,668 0.698,669 194.64,670 2.708,671 4.234,672 5.081,673 5.974,674 6.836,675 7.733,676 8.599,677 9.497,678 10.364,679 11.261,680 20,684 2,690 2,694 2,695 3,696 2,700 3,702 11,711 2,717 1,718 20,719 11,720 1,721 14,723 21,724 8,725 8,726 3,727 3,729 2,730 3,731 1,741 8,757 7,758 4,759 4,760 5,761 1,764 4,769 0.5,776 1,781 2,785 1,802 1,807 1,810 13,811 2,828 1,836 7.167,837 3.46,838 2.833,839 0.979,840 2.387,841 1.426,842 1.025,843 1.884,844 7.993,845 3.02,846 3.726,847 4.379,848 5.037,849 5.577,850 5.837,851 6.019,852 6.337,853 6.541,854 5.954,855 1,856 20,857 4.711,858 -0.003,859 1.982,860 7.996,861 8.642,862 -0.001,863 6.841,864 0.001,865 2.496,866 32.444,867 0.004,870 35.313,871 40.873,872 99.365,873 39.149,877 40.873,878 74.462,879 99.365,882 94.223,883 33.571,884 8.218,885 4.227,886 35.313,887 39.149,888 35.313,889 140.239,891 39.149,893 35.313,897 4.043,898 102.625,899 72.72,901 35.313,902 99.365,903 80.022,906 35.313,907 12.445,908 28.429,910 138.514,911 35.313,912 99.365,913 80.022,915 0.59,916 0.348,917 0.201,918 0.097,919 11,920 5,923 1,924 1.2,925 2.423,926 81.655,927 0.2,928 10,929 48.106,933 8.381,934 2.923,935 1.353,936 1.316,937 99.365,938 5.311,939 7.822,943 1.01,945 65.794,946 214.701,947 19.5,956 20.498,957 22.768,958 0.402,959 0.751,960 0.852,961 0.954,962 0.954,963 0.954,964 4.23,965 -0.529,966 5.094,967 -0.504,968 3.714,969 4.407,971 5.932,972 3.57,973 5.489,974 -0.915,975 6.673,976 -1.252,977 3.434,978 4.407,980 6.905,981 3.179,982 6.828,983 -1.369,984 8.355,985 -2.329,986 5.323,987 6.771,989 10.029,990 5.069,991 8.206,992 -1.519,993 10.095,994 -3.4,995 5.802,996 7.563,998 11.842,999 5.456,1000 9.614,1001 -1.739,1002 11.875,1003 -4.15,1004 7.238,1005 9.442,1007 14.503,1008 6.889,1009 11.045,1010 -2,1011 13.683,1012 -5.153,1013 8.086,1014 10.626,1016 16.668,1017 7.663,1018 12.496,1019 -2,1020 15.513,1021 -6.572,1022 9.341,1023 12.298,1025 19.16,1026 8.9,1027 3.147,1029 17.36,1030 -6.899,1031 10.359,1032 13.669,1034 21.463,1035 9.855,1036 2.301,1037 10.876,1038 19.22,1040 11.545,1041 15.252,1043 23.89,1044 11.008,1045 2.009,1046 6.442,1047 21.092,1048 4.566,1049 12.637,1050 16.707,1052 26.245,1053 12.043,1054 1.721,1055 5.816,1056 22.971,1057 3.152,1058 13.796,1059 18.253,1061 28.648,1062 13.162,1063 1.195,1064 4.639,1065 24.857,1066 2.858,1067 14.919,1068 19.744,1070 31.023,1071 14.232,1072 -0.092,1073 2.726,1074 26.748,1075 2.33,1076 16.07,1077 21.274,1079 33.415,1080 15.336,1081 -0.208,1082 -0.239,1083 28.642,1084 1.701,1085 17.206,1086 22.781,1088 35.797,1089 16.42,1090 978,1091 1977,1092 8.959,1093 14.404,1094 21.045,1095 21.367,1096 22.104,1097 20.91,1098 20.745,1099 29.215,1101 60.998,1102 19.093,1103 5.104,1104 5.311,1105 6.268,1106 5.171,1107 5.147,1108 7.566,1110 17.775,1111 4.988,1112 6.434,1113 1.503,1114 1.526,1115 1.579,1116 1.494,1117 1.482,1118 2.087,1120 4.357,1121 1.364,1122 4.056,1123 4.088,1124 4.117,1125 3.972,1126 5.317,1127 3.979,1128 3.461,1129 3.528,1130 3.563,1131 3.264,1132 4.991,1133 3.289,1134 3.136,1135 3.236,1136 3.24,1137 2.942,1138 4.855,1139 2.948,1140 2.85,1141 2.925,1142 2.923,1143 2.627,1144 4.441,1145 2.636,1146 2.688,1147 2.788,1148 2.614,1149 2.423,1150 4.099,1151 2.434,1152 2.243,1153 2.369,1154 2.171,1155 1.815,1156 3.677,1157 1.834,1158 1.958,1159 2.08,1160 1.975,1161 1.598,1162 3.149,1163 1.615,1164 1.605,1165 1.681,1166 1.743,1167 1.434,1168 3.03,1169 1.359,1170 0.329,1171 0.236,1172 0.481,1173 0.293,1174 0.225,1175 4.604,1176 0.326,1177 3.311,1179 6.732,1180 0.777,1181 4.1,1182 0.213,1183 3.147,1184 4.566,1186 10.876,1187 2.988,1188 1.999,1189 1.976,1190 2.043,1191 2.108,1192 1.16,1193 2.093,1194 1.382,1195 1.32,1196 1.529,1197 1.617,1198 0.426,1199 1.604,1200 1.046,1201 0.979,1202 1.279,1203 1.384,1204 0.16,1205 1.367,1206 0.794,1207 0.711,1208 1.045,1209 1.039,1211 1.052,1212 0.62,1213 0.516,1214 0.93,1215 0.921,1217 0.948,1218 0.149,1220 0.456,1221 0.505,1223 0.507,1226 0.28,1227 0.238,1229 0.236,1232 0.069,1233 0.011,1235 0.087,1236 3.367,1238 4.691,1240 6.232,1242 7.883,1244 9.589,1247 5.914,1250 11.072,1262 13.967,1263 34.787,1264 64.929,1265 73.684,1266 82.439,1267 82.439,1268 82.439,1269 14.109,1270 5.606,1271 77.82,1272 77.82,1273 12,1274 11.791,1275 3.585,1276 2.7,1277 18.966,1278 25,1279 20,1280 0.43,1281 93.595,1282 146.45,1283 220.133,1284 1400,1285 5,1286 9.422,1287 0.725,1288 0.57,1289 9.922,1290 7.415,1291 6.182,1292 0.442,1293 0.288,1294 3.635,1295 5.688,1296 3.536,1297 2.93,1298 6.47,1299 4.033,1300 5.799,1301 0.29,1302 0.15,1303 6.17,1304 3.008,1305 4.572,1306 0.176,1307 0.078,1308 4.909,1309 2.033,1310 4.257,1311 0.122,1312 0.042,1313 4.659,1314 1.454,1315 2.848,1316 0.073,1317 0.021,1318 3.034,1319 0.801,1320 0.604,1321 41.659,1322 0.334,1323 12.597,1324 1.403,1325 68,1326 212.118,1327 89.903,1328 242.916,1329 323.87,1330 224,1331 80,1332 222.187,1333 97.372,1334 236.122,1335 345.48,1336 222,1337 6.25}
{0 CHEMBL266638,1 1.946,2 5.214,3 2.368,4 5.607,5 60.888,6 13.677,7 0.733,8 3.163,9 3.281,10 3.225,11 2.799,12 4.472,13 2.788,14 3.561,15 3.684,16 3.714,17 3.192,18 4.931,19 3.15,20 3.75,21 3.883,22 4.147,23 3.344,24 5.076,25 3.267,26 3.674,27 3.811,28 3.774,29 3.13,30 5.167,31 3.05,32 3.55,33 3.753,34 3.566,35 2.794,36 4.869,37 2.663,38 3.137,39 3.432,40 2.656,41 2.263,42 4.167,43 1.986,44 2.32,45 2.594,46 2.246,47 1.474,48 3.316,49 1.211,50 1.165,51 1.262,52 0.751,53 0.841,54 1.872,55 0.518,56 0.103,57 0.327,58 1.584,59 1.257,60 12.814,61 0.932,62 0.164,63 0.476,64 5.64,65 2.31,66 15.421,67 2.523,68 0.244,69 0.519,70 20.465,71 3.308,72 20.226,73 2.428,74 0.263,75 0.444,76 11.824,77 2.991,78 26.294,79 2.704,80 0.282,81 0.359,82 8.208,83 2.751,84 28.851,85 1.922,86 0.19,87 0.192,88 22.314,89 3.121,90 21.274,91 3.298,92 0.103,93 0.06,94 8.719,95 1.357,96 10.835,97 1.525,98 0.025,99 0.013,100 11.631,101 0.77,102 1.475,103 0.524,104 17,105 22,106 0.412,107 0.745,108 0.808,109 0.872,110 0.872,111 0.872,112 2.737,113 0.986,114 -4.32,115 -4.26,116 -4.02,117 1,119 40,139 2,140 1,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 1,169 1,170 3,172 3,173 3,175 1,178 3,180 1,182 1,189 5,193 3,195 1,196 1,197 1,198 4,200 2,201 1,204 4,205 1,207 3,212 3,218 3,226 1,231 1,239 1,243 1,273 148,274 9,275 9,276 9,277 9,278 9,279 7.538,280 8.521,281 5.083,282 9.411,283 7.352,284 7.352,285 7.352,286 7.352,287 7.352,288 5.225,289 9.697,290 2.382,291 8.186,292 2.375,293 0.8,294 0.5,295 0.2,296 0.2,297 0.2,298 3.369,299 1,301 1,302 1,303 150,304 1.732,307 56.608,311 48.792,314 0.847,315 14.957,318 1,319 0.83,320 1,321 0.4,323 1,324 1,325 0.75,326 30.083,327 73,328 4.648,329 3.465,330 6.82,331 4.141,332 3.202,333 4.613,335 11.156,336 2.999,337 3.869,338 2.824,339 5.673,340 3.349,341 2.487,342 3.378,344 7.352,345 2.087,346 3.452,347 2.268,348 5.085,349 2.967,350 2.031,351 2.86,353 5.847,354 1.898,355 3.355,356 2.064,357 4.979,358 2.859,359 1.955,360 2.676,362 5.671,363 1.668,364 2.696,365 1.918,366 4.142,367 2.214,368 1.325,369 1.766,371 3.387,372 1.13,373 1.584,374 0.814,375 2.881,376 1.047,377 0.268,378 0.335,380 0.602,381 0.156,382 1.194,383 0.255,384 2.817,385 0.707,386 -0.113,387 -0.139,389 -0.293,390 -0.083,391 0.934,392 -0.265,393 2.561,394 0.45,395 -0.438,396 -0.565,398 -1.131,399 -0.366,400 0.473,401 -0.389,402 2,403 0.131,404 -0.758,405 -0.923,407 -1.847,408 -0.558,409 0.034,410 -0.877,411 1.528,412 -0.48,413 -1.275,414 -1.606,415 -3.237,416 -0.897,417 -0.161,418 -1.114,419 1.428,420 -0.586,421 -1.382,422 -1.774,423 -3.79,424 -1.108,425 -0.226,426 -1.408,427 1.253,428 -0.753,429 -1.525,430 -2.051,431 -4.458,432 -1.398,433 -0.353,434 -1.716,435 1.128,436 -0.874,437 -1.776,438 -2.571,439 -5.228,440 -1.655,441 -0.5,442 -2,443 1,444 -1,445 -2,446 -3,448 -6.868,449 -1.874,450 -0.5,451 -2,452 0.706,453 -1.072,454 -2,455 -3,457 -7.163,458 -2,459 7.648,460 0.546,461 0.494,462 0.035,463 20.25,464 1.446,465 11,466 0.786,467 9.25,468 0.661,469 9.664,470 0.69,471 13.952,472 0.698,473 10.574,474 0.755,475 3.732,476 0.267,477 2.86,478 0.204,479 0.372,481 0.392,485 1.04,486 1.038,487 0.472,488 0.432,489 1.324,490 0.487,491 0.498,492 0.773,493 0.574,494 0.559,495 0.436,496 0.607,497 1.2,498 1.12,499 0.899,500 0.728,501 1.034,502 0.734,503 0.822,504 1.268,505 0.95,506 1.193,507 0.714,508 1.224,509 1.485,510 1.13,511 1.042,512 1.304,513 1.753,514 1.418,515 0.736,516 0.668,517 1.385,518 1.214,519 0.791,520 1.177,521 1.166,522 0.565,523 1.256,524 1.431,525 1.063,526 1.241,527 2.544,528 0.846,529 10.116,530 6.794,531 1.344,532 4.29,533 3.5,535 2,536 1.625,537 1.209,538 0.292,539 0.121,543 1089,544 5036,545 1.952,546 30,548 2,551 4,555 1.517,556 1.75,557 2.435,558 2.451,562 1,564 38.929,565 1.946,566 3.522,567 3.822,568 4.122,569 4.122,570 4.122,571 1.924,572 3.093,573 3.785,574 2.452,575 223.114,576 6.343,577 1712.71,579 1,582 86.439,583 1.557,584 3.689,585 0.233,587 0.091,588 0.071,589 0.067,590 0.032,591 0.04,595 0.535,596 0.33,597 1,598 0.788,599 50.916,600 -0.344,601 0.104,602 -0.017,603 0.185,604 -0.503,605 0.169,606 0.24,607 0.303,608 0.024,609 0.159,610 0.252,611 0.155,612 -0.281,613 -0.099,614 0.049,615 0.167,616 -0.229,617 0.087,618 0.21,619 -0.301,620 -0.103,621 -0.333,622 0.329,623 -0.385,624 -0.365,625 -0.213,626 -0.069,627 -0.322,628 -0.537,629 -0.439,630 0.235,631 0.016,632 -0.06,633 0.117,634 0.259,635 0.299,636 0.181,637 -0.048,638 0.059,639 -0.027,640 0.226,641 0.358,642 -1.298,643 -0.445,644 -2.87,645 -3.009,646 -0.681,647 -2.252,648 1.52,649 1.925,650 0.714,651 5.51,652 1.036,653 1.13,654 3.094,655 9.571,656 0.788,657 2.773,658 3.135,659 3.401,660 3.664,661 3.829,662 3.784,663 3.638,664 3.466,665 3.332,666 2.639,667 3.282,668 0.75,669 273.53,670 2.773,671 4.317,672 5.176,673 6.075,674 6.952,675 7.854,676 8.735,677 9.637,678 10.521,679 11.421,680 20,684 2,690 2,694 2,695 2,696 2,700 4,702 11,711 2,717 2,718 20,719 11,720 1,721 15,722 1,723 21,724 8,725 8,726 4,727 2,729 2,730 3,731 1,741 8,757 6,758 4,759 4,760 6,761 2,764 4,769 0.5,776 1,781 2,785 1,802 1,805 1,807 1,810 14,811 2,828 2,836 8,837 3.519,838 3.028,839 0.966,840 2.391,841 1.415,842 1.028,843 2.408,844 8.147,845 3.068,846 3.795,847 4.451,848 5.101,849 5.68,850 5.962,851 6.204,852 6.451,853 6.711,854 6.136,855 0.75,856 23,857 5.077,858 0.002,859 2.141,860 7.99,861 9.313,862 0.001,863 7.408,864 -0.001,865 2.49,866 34.861,867 0.003,870 23.542,871 34.452,872 145.32,873 39.149,877 80.406,878 62.691,879 99.365,882 84.747,883 33.571,884 11.273,885 4.227,886 23.542,887 85.103,888 23.542,889 133.818,891 39.149,892 45.954,893 23.542,897 4.043,898 96.203,899 72.72,900 45.954,901 23.542,902 99.365,903 119.555,906 23.542,907 15.5,908 18.952,909 45.954,910 138.514,911 23.542,912 99.365,913 119.555,915 0.601,916 0.36,917 0.195,918 0.101,919 12,920 6,923 1,924 1.2,925 2.476,926 91.746,927 0.2,928 10,929 53.303,933 9.801,934 3.439,935 1.629,936 1.262,937 99.365,938 3.566,939 7.863,943 1.693,945 65.794,946 242.463,947 20.5,956 20.727,957 22.609,958 0.45,959 0.815,960 0.884,961 0.954,962 0.954,963 0.954,964 4.301,965 -0.438,966 5.209,967 -0.293,968 3.807,969 4.477,971 6.071,972 3.603,973 5.576,974 -0.758,975 6.812,976 -1.131,977 3.611,978 4.559,980 7.081,981 3.252,982 6.93,983 -1.275,984 8.514,985 -1.847,986 5.451,987 6.859,989 10.206,990 5.106,991 8.321,992 -1.382,993 10.27,994 -3.237,995 5.994,996 7.701,998 12.023,999 5.511,1000 9.739,1001 -1.525,1002 12.061,1003 -3.79,1004 7.396,1005 9.542,1007 14.705,1008 6.926,1009 11.178,1010 -1.776,1011 13.877,1012 -4.458,1013 8.281,1014 10.752,1016 16.872,1017 7.708,1018 12.635,1019 -2,1020 15.714,1021 -5.228,1022 9.523,1023 12.408,1025 19.39,1026 8.938,1027 3.202,1028 -2,1029 17.566,1030 -6.868,1031 10.564,1032 13.793,1034 21.704,1035 9.897,1036 2.487,1037 11.156,1038 19.431,1039 -7.163,1040 11.749,1041 15.372,1043 24.158,1044 11.049,1045 2.031,1046 7.352,1047 21.307,1048 4.613,1049 12.858,1050 16.838,1052 26.531,1053 12.088,1054 1.955,1055 5.847,1056 23.191,1057 3.378,1058 14.025,1059 18.386,1061 28.959,1062 13.208,1063 1.325,1064 5.671,1065 25.081,1066 2.86,1067 15.163,1068 19.887,1070 31.356,1071 14.281,1072 0.268,1073 3.387,1074 26.978,1075 2.676,1076 16.325,1077 21.423,1079 33.774,1080 15.388,1081 -0.113,1082 0.602,1083 28.879,1084 1.766,1085 17.477,1086 22.939,1088 36.18,1089 16.475,1090 1178,1091 2601,1092 9.364,1093 15.756,1094 22.808,1095 23.632,1096 24.064,1097 22.674,1098 22.533,1099 31.258,1101 68.031,1102 19.876,1103 5.148,1104 5.465,1105 6.114,1106 5.213,1107 5.202,1108 7.613,1110 18.319,1111 4.999,1112 7.879,1113 1.521,1114 1.575,1115 1.604,1116 1.512,1117 1.502,1118 2.084,1120 4.535,1121 1.325,1122 4.059,1123 4.086,1124 6.881,1125 3.993,1126 5.315,1127 3.991,1128 3.467,1129 3.524,1130 4.074,1131 3.32,1132 4.99,1133 3.32,1134 3.136,1135 3.236,1136 3.538,1137 2.952,1138 4.849,1139 2.952,1140 2.861,1141 2.916,1142 3.209,1143 2.71,1144 4.441,1145 2.686,1146 2.69,1147 2.787,1148 2.923,1149 2.44,1150 4.117,1151 2.442,1152 2.249,1153 2.365,1154 2.496,1155 1.942,1156 3.723,1157 1.864,1158 1.971,1159 2.071,1160 2.097,1161 1.743,1162 3.279,1163 1.684,1164 1.642,1165 1.671,1166 1.975,1167 1.574,1168 3.145,1169 1.516,1170 0.31,1171 0.231,1172 0.455,1173 0.276,1174 0.213,1175 4.648,1176 0.308,1177 3.465,1179 6.82,1180 0.744,1181 4.141,1182 0.2,1183 3.202,1184 4.613,1186 11.156,1187 2.999,1188 1.996,1189 1.978,1190 2.01,1191 2.098,1192 1.169,1193 2.083,1194 1.377,1195 1.324,1196 1.485,1197 1.59,1198 0.411,1199 1.58,1200 1.045,1201 0.98,1202 1.278,1203 1.384,1204 0.121,1205 1.367,1206 0.782,1207 0.719,1208 0.939,1209 0.976,1211 0.988,1212 0.619,1213 0.517,1214 0.848,1215 0.912,1217 0.944,1218 0.145,1219 0.003,1220 0.456,1221 0.488,1223 0.492,1226 0.071,1227 0.181,1229 0.171,1236 3.434,1238 4.779,1240 6.337,1242 8.001,1244 9.718,1245 3.295,1247 6.036,1250 11.146,1262 14.992,1263 38.929,1264 70.439,1265 76.439,1266 82.439,1267 82.439,1268 82.439,1269 17.267,1270 5.756,1271 77.82,1272 77.82,1273 12,1274 11.946,1275 3.585,1276 2.7,1277 21.109,1278 28,1279 24,1280 0.419,1281 105.509,1282 165.73,1283 249.203,1284 1672,1285 10,1286 10.293,1287 0.735,1288 0.664,1289 11.793,1290 9.302,1291 6.592,1292 0.439,1293 0.329,1294 3.79,1295 5.603,1296 3.637,1297 2.99,1298 7.458,1299 4.931,1300 6.305,1301 0.287,1302 0.18,1303 7.38,1304 3.955,1305 5.178,1306 0.179,1307 0.106,1308 6.636,1309 3.081,1310 4.404,1311 0.116,1312 0.047,1313 5.176,1314 1.792,1315 3.194,1316 0.071,1317 0.026,1318 3.93,1319 1.156,1320 0.593,1321 52.494,1322 0.327,1323 13.543,1324 1.356,1325 74,1326 238.773,1327 161.773,1328 305.037,1329 395.92,1330 280,1331 88,1332 246.92,1333 152.273,1334 273.911,1335 403.45,1336 257,1337 7}
{0 CHEMBL266761,1 1.875,2 10.8,3 3.768,4 14.196,5 100.679,6 10.721,7 0.63,8 3.749,9 3.855,10 3.6,11 3.368,12 5.032,13 3.364,14 4.197,15 4.316,16 4.041,17 3.765,18 5.532,19 3.735,20 4.458,21 4.596,22 4.28,23 3.915,24 5.789,25 3.866,26 4.466,27 4.63,28 4.127,29 3.816,30 5.834,31 3.751,32 4.409,33 4.586,34 3.872,35 3.652,36 5.793,37 3.586,38 4.275,39 4.482,40 3.744,41 3.494,42 5.593,43 3.424,44 4.059,45 4.228,46 3.715,47 3.426,48 5.522,49 3.353,50 3.976,51 4.138,52 3.573,53 3.398,54 5.233,55 3.316,56 0.162,57 0.56,58 2.833,59 2.483,60 19.064,61 2.428,62 0.294,63 0.838,64 5.926,65 4.593,66 28.429,67 5.311,68 0.549,69 0.977,70 16.762,71 6.113,72 56.081,73 5.784,74 0.543,75 0.93,76 20.186,77 6.999,78 55.1,79 7.834,80 0.661,81 0.872,82 20.596,83 6.381,84 78.483,85 6.158,86 0.599,87 0.724,88 21.505,89 6.04,90 73.077,91 6.448,92 0.468,93 0.59,94 15.235,95 4.97,96 57.377,97 5.949,98 0.352,99 0.564,100 11.443,101 4.045,102 40.812,103 3.934,104 37,105 39,106 0.335,107 0.687,108 0.793,109 0.892,110 0.901,111 0.901,112 3.267,113 0.915,114 -5.03,115 -4.93,116 -4.62,119 43.2,121 1,139 5,140 2,141 4,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 5,169 1,170 4,172 3,173 4,175 3,178 8,180 1,182 2,187 4,189 9,193 6,195 1,196 1,197 1,198 6,200 2,201 5,204 4,205 1,207 5,210 2,211 1,212 3,214 1,215 5,218 2,221 1,226 2,229 5,231 1,233 2,234 3,236 1,237 1,238 1,239 2,240 1,241 7,243 1,246 2,251 1,254 4,256 1,260 4,262 1,263 1,265 3,268 4,270 3,273 870,274 16.24,275 16.24,276 16.24,277 16.24,278 16.24,279 13.847,280 18.842,281 9.291,282 16.764,283 13.279,284 13.279,285 13.279,286 13.279,287 13.279,288 9.727,289 23.202,290 4.41,291 14.331,292 3.335,293 1.361,294 0.767,295 0.216,296 0.162,297 0.162,298 3.941,299 3,301 1,302 1,303 573,304 3.082,307 218.782,311 114.396,314 1.584,315 33.439,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 54.5,327 270,328 4.656,329 3.647,330 6.836,331 4.165,332 3.215,333 4.617,334 1.987,335 11.239,336 3.041,337 4.225,338 3.381,339 5.959,340 3.777,341 2.846,342 3.875,343 0.324,344 8.395,345 2.68,346 3.952,347 3.304,348 5.838,349 3.542,350 2.609,351 3.435,353 8.025,354 2.399,355 3.682,356 2.725,357 5.364,358 3.281,359 2.348,360 2.981,362 6.847,363 2.12,364 3.454,365 2.481,366 5.101,367 2.994,368 2.061,369 2.86,371 5.967,372 1.906,373 3.404,374 2.158,375 5.019,376 2.938,377 1.992,378 2.724,380 5.811,381 1.851,382 3.221,383 2.13,384 4.715,385 2.765,386 1.79,387 2.423,389 5.006,390 1.69,391 2.82,392 2.061,393 4.177,394 2.306,395 1.414,396 1.948,398 3.525,399 1.198,400 2.696,401 1.802,402 4.039,403 2.224,404 1.319,405 1.764,407 3.424,408 1.14,409 1.681,410 0.932,411 3.162,412 1.313,413 0.411,414 0.493,415 1.029,416 0.343,417 1.52,418 0.796,419 2.828,420 1.072,421 0.212,422 0.263,423 0.475,424 0.149,425 1.2,426 0.528,427 2.79,428 0.741,429 -0.109,430 -0.135,431 -0.286,432 -0.082,433 1.01,434 0.278,435 2.593,436 0.559,437 -0.301,438 -0.36,439 -0.8,440 -0.228,441 0.959,442 0.006,443 2.377,444 0.493,445 -0.429,446 -0.56,448 -1.111,449 -0.383,450 0.696,451 -0.182,452 2.278,453 0.289,454 -0.641,455 -0.786,457 -1.563,458 -0.52,459 12.476,460 0.499,461 0.826,462 0.033,463 35.5,464 1.42,465 19,466 0.76,467 16.5,468 0.66,469 19.055,470 0.762,471 25.924,472 0.701,473 25.765,474 1.031,475 6.981,476 0.279,477 4.865,478 0.195,479 0.263,481 0.401,485 0.811,486 1.085,487 0.509,488 0.6,489 0.822,490 0.619,491 0.523,492 0.996,493 0.544,494 0.769,495 0.52,496 0.793,497 1.15,498 1.118,499 0.865,500 0.864,501 1.135,502 0.923,503 0.904,504 1.208,505 1.021,506 1.229,507 0.831,508 1.147,509 1.367,510 0.935,511 1.178,512 1.145,513 1.593,514 1.193,515 1.107,516 0.837,517 0.972,518 0.981,519 1.267,520 0.966,521 0.569,522 0.801,523 0.894,524 1.022,525 0.644,526 0.981,527 1.351,528 0.834,529 1.166,530 0.888,531 1.35,532 1.015,533 6.5,534 0.149,535 3.111,536 2.563,537 1.942,538 0.75,539 0.628,540 0.24,541 0.345,542 0.174,543 7023,544 28872,545 1.992,546 32.4,548 5,551 5,552 2,555 1.677,556 1.807,557 3.379,558 2.686,560 1,564 69.366,565 1.875,566 3.849,567 4.443,568 4.993,569 5.047,570 5.047,571 2.869,572 4.404,573 4.618,574 3.526,575 1057.77,576 7.97,577 12831.2,579 1,581 1,582 192.75,583 1.554,584 4.541,585 0.241,586 0.009,587 0.08,588 0.063,589 0.054,590 0.027,591 0.026,592 0.01,593 0.016,594 0.008,595 0.534,596 0.17,597 1,598 0.68,599 121.003,600 -0.184,601 0.085,602 -0.027,603 0.146,604 -0.208,605 0.117,606 0.165,607 0.091,608 0.069,609 0.055,610 0.117,611 0.035,612 -0.194,613 -0.083,614 -0.002,615 0.038,616 -0.191,617 -0.055,618 0.038,619 -0.252,620 -0.055,621 -0.258,622 0.099,623 -0.166,624 -0.221,625 0.038,626 -0.24,627 -0.179,628 -0.241,629 -0.239,630 -0.032,631 0.079,633 0.046,634 -0.054,635 0.102,636 0.413,637 0.105,638 0.068,639 -0.006,640 0.422,641 0.062,642 -0.375,643 0.15,644 -0.214,645 0.076,646 -0.351,647 -0.066,648 1.936,649 5.277,650 0.64,651 20.752,652 1.033,653 1.125,654 3.804,655 14.471,656 0.753,657 3.332,658 3.689,659 3.932,660 4.19,661 4.382,662 4.407,663 4.431,664 4.466,665 4.543,666 4.477,667 6.239,668 0.728,669 396.68,670 3.332,671 4.89,672 5.74,673 6.629,674 7.494,675 8.385,676 9.256,677 10.148,678 11.023,679 11.916,680 13.5,684 2,687 1,690 2,694 2,695 5,696 2,700 7,702 17,711 2,717 3,718 37,719 18,720 2,721 27,723 39,724 16,725 14,726 7,727 5,729 3,730 4,731 3,739 1,741 15,742 1,744 1,748 1,751 1,754 1,757 12,758 6,759 5,760 9,761 3,764 5,769 0.667,770 1,776 1,781 3,785 1,790 1,802 2,807 3,810 25,811 2,816 1,817 1,828 3,829 2.7,832 1,836 13.833,837 6.579,838 5.389,839 1.925,840 3.287,841 1.462,842 1.013,843 5.198,844 10.394,845 3.624,846 4.304,847 4.89,848 5.507,849 6.069,850 6.33,851 6.627,852 6.951,853 7.274,854 7.243,855 1,856 41,857 9.16,859 3.961,860 8.06,861 16.743,863 13.533,865 2.56,866 64,870 82.398,871 80.009,872 117.376,873 117.446,874 25.145,877 80.009,878 224.989,879 117.376,881 20.545,882 113.176,883 63.421,884 21.161,885 4.227,886 82.398,887 117.446,888 82.398,889 197.385,890 25.145,891 117.446,893 82.398,894 25.145,897 24.589,898 139.225,899 151.017,901 82.398,902 142.521,903 197.455,906 82.398,907 32.627,908 47.381,909 18.011,910 241.956,911 82.398,912 142.521,913 197.455,915 0.597,916 0.347,917 0.184,918 0.098,919 19,920 10,921 0.077,922 3,923 1,924 1.125,925 3.608,926 204.185,927 0.125,928 16,929 116.096,933 18.013,934 7.215,935 3.902,936 0.931,937 142.521,938 8.288,939 7.954,943 2.387,945 83.805,946 422.373,947 36.5,951 12.277,954 -0.269,956 38.225,957 41.609,958 0.36,959 0.739,960 0.853,961 0.958,962 0.969,963 0.969,964 4.869,965 1.414,966 5.759,967 5.006,968 4.369,969 4.99,970 2.076,971 6.586,972 4.224,973 6.123,974 1.319,975 7.338,976 3.525,977 4.111,978 4.997,979 1.593,980 7.506,981 3.844,982 7.459,983 0.411,984 9.011,985 3.424,986 5.989,987 7.288,988 3.1,989 10.607,990 5.735,991 8.827,992 0.212,993 10.736,994 1.029,995 6.463,996 8.046,997 3.168,998 12.331,999 6.085,1000 10.221,1001 -0.109,1002 12.496,1003 0.475,1004 7.879,1005 9.879,1006 4.312,1007 14.988,1008 7.514,1009 11.635,1010 -0.301,1011 14.281,1012 -0.286,1013 8.701,1014 11.015,1015 4.654,1016 17.091,1017 8.229,1018 13.066,1019 -0.429,1020 16.086,1021 -0.8,1022 9.939,1023 12.661,1024 5.601,1025 19.589,1026 9.46,1027 3.215,1028 -0.641,1029 17.908,1030 -1.111,1031 10.929,1032 13.991,1033 6.091,1034 21.869,1035 10.365,1036 2.846,1037 11.239,1038 19.744,1039 -1.563,1040 12.1,1041 15.558,1042 6.927,1043 24.311,1044 11.51,1045 2.609,1046 8.395,1047 21.592,1048 4.617,1049 13.172,1050 16.986,1051 7.5,1052 26.668,1053 12.511,1054 2.348,1055 8.025,1056 23.451,1057 3.875,1058 14.322,1059 18.521,1060 8.273,1061 29.092,1062 13.623,1063 2.061,1064 6.847,1065 25.319,1066 3.435,1067 15.433,1068 19.998,1069 8.894,1070 31.483,1071 14.672,1072 1.992,1073 5.967,1074 27.194,1075 2.981,1076 16.578,1077 21.523,1078 9.631,1079 33.902,1080 15.772,1081 1.79,1082 5.811,1083 29.076,1084 2.86,1085 17.71,1086 23.024,1087 10.279,1088 36.308,1089 16.847,1090 6890,1091 14090,1092 17.224,1093 27.864,1094 40.882,1095 42.968,1096 42.645,1097 40.711,1098 40.437,1099 54.764,1100 4.622,1101 119.487,1102 37.034,1103 5.526,1104 5.647,1105 6.147,1106 5.237,1107 5.215,1108 7.617,1109 3.497,1110 18.501,1111 5.041,1112 15.503,1113 1.514,1114 1.591,1115 1.579,1116 1.508,1117 1.498,1118 2.028,1119 0.171,1120 4.425,1121 1.372,1122 4.074,1123 4.104,1124 4.146,1125 3.986,1126 7.429,1127 3.995,1128 3.925,1129 3.943,1130 4.103,1131 3.882,1132 5.316,1133 3.871,1134 3.572,1135 3.623,1136 3.613,1137 3.363,1138 5.038,1139 3.394,1140 3.368,1141 3.411,1142 3.509,1143 3.198,1144 4.99,1145 3.211,1146 3.136,1147 3.236,1148 3.399,1149 2.944,1150 4.848,1151 2.949,1152 2.942,1153 3.008,1154 3.263,1155 2.797,1156 4.491,1157 2.779,1158 2.877,1159 2.921,1160 3.116,1161 2.742,1162 4.441,1163 2.748,1164 2.757,1165 2.799,1166 2.923,1167 2.561,1168 4.266,1169 2.568,1170 0.172,1171 0.135,1172 0.253,1173 0.154,1174 0.119,1175 4.656,1176 0.171,1177 3.647,1178 0.074,1179 6.836,1180 0.416,1181 4.165,1182 0.113,1183 3.215,1184 4.617,1185 1.987,1186 11.239,1187 3.041,1188 2.005,1189 1.982,1190 2.04,1191 2.117,1192 1.189,1193 2.099,1194 1.903,1195 1.887,1196 1.975,1197 1.973,1198 1.149,1199 1.985,1200 1.464,1201 1.419,1202 1.576,1203 1.705,1204 0.69,1205 1.674,1206 1.296,1207 1.25,1208 1.464,1209 1.509,1210 0.426,1211 1.502,1212 1.045,1213 0.98,1214 1.279,1215 1.384,1216 0.179,1217 1.367,1218 0.873,1219 0.824,1220 1.109,1221 1.116,1222 0.158,1223 1.126,1224 0.861,1225 0.8,1226 1.051,1227 1.01,1229 1.051,1230 0.654,1231 0.611,1232 0.933,1233 0.928,1235 0.95,1236 4.007,1238 5.352,1240 6.887,1242 8.516,1244 10.196,1247 18.16,1250 11.424,1252 0.11,1253 2.737,1262 26.938,1263 69.366,1264 142.411,1265 164.385,1266 184.75,1267 186.75,1268 186.75,1269 51.558,1270 7.107,1271 106.92,1272 106.92,1273 18,1274 12.446,1275 4.248,1276 3.392,1277 41.946,1278 94,1279 90,1280 0.22,1281 178.687,1282 301.24,1283 427.757,1284 11206,1285 8.1,1286 18.137,1287 0.725,1288 0.598,1289 19.637,1290 14.953,1291 11.846,1292 0.439,1293 0.305,1294 7.109,1295 10.669,1296 6.869,1297 5.642,1298 12.712,1299 8.233,1300 11.298,1301 0.29,1302 0.165,1303 12.373,1304 6.454,1305 9.087,1306 0.182,1307 0.092,1308 10.43,1309 4.601,1310 7.677,1311 0.118,1312 0.046,1313 8.531,1314 2.981,1315 5.788,1316 0.073,1317 0.024,1318 6.448,1319 1.908,1320 0.347,1321 82.983,1322 0.241,1323 24.299,1324 0.598,1325 132,1326 434.593,1327 189.21,1328 517.778,1329 669.59,1330 476,1331 155,1332 421.802,1333 205.538,1334 458.175,1335 670.72,1336 430,1337 7.62}
{0 CHEMBL266875,1 1.714,2 9.286,3 3.745,4 14.024,5 90.785,6 9.319,7 0.739,8 3.643,9 3.757,10 3.448,11 3.32,12 4.843,13 3.265,14 4.083,15 4.214,16 3.832,17 3.708,18 5.292,19 3.616,20 4.286,21 4.447,22 3.889,23 3.818,24 5.389,25 3.7,26 4.289,27 4.465,28 3.763,29 3.743,30 5.408,31 3.592,32 4.307,33 4.538,34 3.729,35 3.624,36 5.365,37 3.466,38 4.159,39 4.417,40 3.305,41 3.469,42 5.047,43 3.305,44 3.956,45 4.153,46 3.32,47 3.351,48 5.06,49 3.245,50 3.953,51 4.19,52 3.203,53 3.237,54 5.026,55 3.113,56 0.053,57 0.518,58 5.041,59 2.69,60 10.142,61 3.084,62 0.134,63 0.808,64 11.32,65 5.27,66 16.399,67 6.116,68 0.155,69 0.949,70 17.355,71 6.508,72 18.977,73 7.191,74 0.153,75 0.962,76 18.589,77 7.15,78 23.824,79 8.09,80 0.283,81 1.004,82 21.442,83 6.311,84 34.769,85 6.937,86 0.144,87 0.772,88 19.367,89 6.921,90 21.296,91 8.57,92 0.117,93 0.636,94 12.253,95 4.371,96 18.089,97 5.569,98 0.129,99 0.641,100 13.603,101 4.748,102 19.123,103 5.704,104 10,105 32,106 0.313,107 0.643,108 0.748,109 0.854,110 0.854,111 0.854,112 3.103,113 1.003,114 -5.55,115 -5.42,116 -5.06,119 44.1,125 1,139 7,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 3,172 3,173 3,175 1,178 11,180 1,182 3,187 1,189 10,191 1,193 3,195 1,196 1,197 1,198 4,200 2,201 3,204 4,205 1,207 3,212 4,215 8,218 4,226 1,229 6,231 1,234 4,239 3,241 5,243 3,246 4,251 2,254 4,256 2,265 2,268 1,270 2,273 562,274 14.085,275 14.085,276 14.085,277 14.085,278 14.085,279 11.952,280 13.205,281 8.299,282 14.585,283 11.354,284 11.354,285 11.354,286 11.354,287 11.354,288 8.208,289 14.569,290 3.957,291 12.235,292 3.374,293 1.568,294 0.99,295 0.412,296 0.412,297 0.412,298 3.784,299 1,300 1,301 1,302 1,303 419,304 2.345,307 163.576,311 85.887,314 1.252,315 15.399,317 1,318 0.75,319 1,320 1,321 0.6,323 1,324 1,325 0.76,326 44.333,327 195,328 4.615,329 4.437,330 6.767,331 4.139,332 3.165,333 4.573,334 3.272,335 11.061,336 3.085,337 4.013,338 3.269,339 5.439,340 3.538,341 2.622,342 3.615,344 7.204,345 2.374,346 3.723,347 2.937,348 5.315,349 3.279,350 2.349,351 3.178,353 6.736,354 2.182,355 3.456,356 2.771,357 5.061,358 2.97,359 2.094,360 2.864,362 5.822,363 1.911,364 3.413,365 2.3,366 4.895,367 2.936,368 2.008,369 2.703,371 5.694,372 1.73,373 3.137,374 2.078,375 4.765,376 2.726,377 1.779,378 2.365,380 5.032,381 1.647,382 2.67,383 1.749,384 3.681,385 2.202,386 1.227,387 1.74,389 2.775,390 1.191,391 2.5,392 1.229,393 3.414,394 2,395 1,396 1.5,398 2.275,399 1,400 1.913,401 1.003,402 3.279,403 1.549,404 0.713,405 0.828,407 1.698,408 0.572,409 1.285,410 1,411 2.727,412 0.838,413 -0.06,414 -0.074,415 -0.146,416 -0.047,417 1.221,418 0.067,419 2.62,420 0.78,421 -0.127,422 -0.17,423 -0.314,424 -0.113,425 0.952,426 -0.018,427 2.374,428 0.471,429 -0.421,430 -0.544,431 -1.074,432 -0.357,433 0.692,434 -0.147,435 2.13,436 0.289,437 -0.608,438 -0.727,439 -1.426,440 -0.523,441 0.5,442 -0.33,443 2,444 0.023,445 -0.92,446 -1.214,448 -2.348,449 -0.816,450 0.372,451 -0.818,452 1.705,454 -1,455 -1.404,457 -2.862,458 -0.909,459 10.648,460 0.507,461 0.541,462 0.026,463 30.75,464 1.464,465 17.5,466 0.833,467 13.25,468 0.631,469 14.184,470 0.675,471 21.152,472 0.622,473 19.339,474 0.921,475 5.838,476 0.278,477 4.293,478 0.204,479 0.142,481 0.329,485 0.946,486 0.929,487 0.628,488 0.652,489 1.173,490 0.681,491 0.477,492 0.876,493 0.842,494 0.972,495 0.411,496 0.883,497 1.148,498 1.061,499 1.132,500 1.057,501 0.963,502 1.003,503 0.812,504 1.267,505 1.178,506 1.348,507 0.737,508 1.253,509 1.161,510 0.995,511 0.831,512 0.971,513 1.39,514 1.035,515 0.538,516 0.85,517 0.752,518 0.921,519 0.612,520 0.869,521 0.957,522 1.095,523 0.891,524 0.988,525 1.02,526 1.074,527 1.023,528 1.079,529 0.864,530 0.948,531 0.944,532 0.981,533 4.5,534 0.045,535 2.222,536 1.563,537 1.24,538 0.528,539 0.345,540 0.217,541 0.18,542 0.168,543 4371,544 14463,545 2.074,546 38.2,548 9,551 4,555 1.63,556 1.938,557 3.153,558 1.921,560 1,562 1,564 58.265,565 1.714,566 3.52,567 4.098,568 4.676,569 4.676,570 4.676,571 2.589,572 3.916,573 4.365,574 3.287,575 690.203,576 7.47,577 7276.15,578 1,579 1,580 1,581 1,582 172.974,583 1.418,584 4.322,585 0.196,586 0.006,587 0.069,588 0.049,589 0.046,590 0.025,591 0.018,592 0.011,593 0.011,594 0.015,595 0.448,596 0.17,597 0.88,598 0.61,599 94.736,600 -0.188,601 0.151,602 0.005,603 0.161,604 -0.311,605 0.115,606 0.265,607 0.167,608 -0.005,609 -0.001,610 0.266,611 0.002,612 -0.22,613 -0.035,614 -0.147,615 -0.052,616 -0.154,617 -0.085,618 0.026,619 -0.264,620 -0.183,621 -0.287,622 0.122,623 -0.292,624 -0.199,625 0.076,626 0.049,627 0.037,628 -0.323,629 -0.081,630 0.1,631 0.031,632 0.121,633 0.127,634 0.111,635 0.233,636 -0.078,637 -0.184,638 -0.08,639 -0.146,640 -0.092,641 -0.123,642 -0.089,643 -0.13,644 -0.006,645 -0.027,646 -0.021,647 0.012,648 1.47,649 1.989,650 0.762,651 14.154,652 1.007,653 1.116,654 4.32,655 18.664,656 0.745,657 3.178,658 3.497,659 3.738,660 4.007,661 4.22,662 4.205,663 4.19,664 4.29,665 4.382,666 4.344,667 5.351,668 0.698,669 316.84,670 3.178,671 4.71,672 5.549,673 6.425,674 7.281,675 8.162,676 9.025,677 9.909,678 10.776,679 11.661,680 11.8,684 2,690 2,694 2,695 7,696 2,700 5,702 17,711 2,717 1,718 34,719 17,720 2,721 23,723 36,724 15,725 14,726 5,727 7,729 3,730 4,731 1,741 14,742 1,754 1,757 13,758 4,759 4,760 6,761 2,764 4,769 0.667,776 1,781 3,785 1,802 2,803 1,804 1,807 1,810 21,811 2,816 1,819 1,828 1,836 10.833,837 5.96,838 4.583,839 1.784,840 3.351,841 1.492,842 1.029,843 4.082,844 10.162,845 3.481,846 4.143,847 4.754,848 5.371,849 5.939,850 6.145,851 6.412,852 6.804,853 7.189,854 7.248,855 1,856 32,857 7.676,859 3.225,860 7.743,861 14.575,863 11.839,865 2.243,866 47.111,870 105.94,871 116.634,872 99.365,873 39.149,876 32.22,877 84.414,878 145.089,879 99.365,881 0.9,882 132.128,883 33.571,884 12.954,885 4.227,886 138.159,887 39.149,888 105.94,889 183.78,891 71.368,893 105.94,897 4.943,898 145.266,899 72.72,900 32.22,901 105.94,902 99.365,903 155.783,906 105.94,907 50.3,908 66.334,910 138.514,911 105.94,912 99.365,913 155.783,915 0.583,916 0.334,917 0.184,918 0.102,919 16,920 7,921 0.083,922 3,923 1,924 1.125,925 3.348,926 159.927,927 0.125,928 16,929 88.239,930 1,933 14.295,934 5.997,935 3.168,936 1.641,937 99.365,938 13.621,939 8.27,943 3.584,945 65.794,946 361.088,947 31.5,956 34.225,957 37.933,958 0.337,959 0.692,960 0.805,961 0.919,962 0.919,963 0.919,964 4.694,965 1,966 5.533,967 2.775,968 4.174,969 4.828,970 3.11,971 6.326,972 4.038,973 5.923,974 0.713,975 7.079,976 2.275,977 3.761,978 4.691,980 7.2,981 3.533,982 7.238,983 -0.06,984 8.723,985 1.698,986 5.746,987 7.115,988 5.44,989 10.303,990 5.513,991 8.589,992 -0.127,993 10.427,994 -0.146,995 6.111,996 7.787,998 12.055,999 5.821,1000 9.971,1001 -0.421,1002 12.171,1003 -0.314,1004 7.593,1005 9.698,1006 7.807,1007 14.7,1008 7.3,1009 11.376,1010 -0.608,1011 13.946,1012 -1.074,1013 8.35,1014 10.789,1016 16.846,1017 8.029,1018 12.8,1019 -0.92,1020 15.747,1021 -1.426,1022 9.622,1023 12.476,1024 10.177,1025 19.335,1026 9.293,1027 3.165,1028 -1,1029 17.568,1030 -2.348,1031 10.579,1032 13.785,1034 21.641,1035 10.235,1036 2.622,1037 11.061,1038 19.406,1039 -2.862,1040 11.765,1041 15.372,1042 12.548,1043 24.075,1044 11.411,1045 2.349,1046 7.204,1047 21.258,1048 4.573,1049 12.821,1050 16.791,1052 26.442,1053 12.454,1054 2.094,1055 6.736,1056 23.123,1057 3.615,1058 13.976,1059 18.336,1060 14.919,1061 28.857,1062 13.596,1063 2.008,1064 5.822,1065 24.997,1066 3.178,1067 15.08,1068 19.807,1070 31.247,1071 14.684,1072 1.779,1073 5.694,1074 26.879,1075 2.864,1076 16.226,1077 21.335,1078 17.29,1079 33.654,1080 15.814,1081 1.227,1082 5.032,1083 28.767,1084 2.703,1085 17.352,1086 22.831,1088 36.053,1089 16.922,1090 4261,1091 7849,1092 15.315,1093 25.335,1094 34.226,1095 37.771,1096 35.144,1097 34.086,1098 33.915,1099 46.732,1100 6.545,1101 96.596,1102 31.384,1103 5.441,1104 6.437,1105 6.304,1106 5.245,1107 5.165,1108 7.573,1109 6.545,1110 17.969,1111 5.085,1112 9.838,1113 1.488,1114 1.642,1115 1.528,1116 1.482,1117 1.475,1118 2.032,1119 0.285,1120 4.2,1121 1.365,1122 4.073,1123 4.105,1124 4.12,1125 4.003,1126 5.306,1127 4.001,1128 3.877,1129 3.895,1130 3.994,1131 3.85,1132 4.981,1133 3.827,1134 3.484,1135 3.552,1136 3.698,1137 3.313,1138 4.936,1139 3.316,1140 3.231,1141 3.289,1142 3.377,1143 3.181,1144 4.692,1145 3.122,1146 3.056,1147 3.158,1148 3.108,1149 2.866,1150 4.314,1151 2.85,1152 2.854,1153 2.925,1154 2.957,1155 2.735,1156 4.167,1157 2.715,1158 2.825,1159 2.875,1160 2.687,1161 2.664,1162 3.852,1163 2.67,1164 2.731,1165 2.813,1166 2.662,1167 2.521,1168 3.674,1169 2.521,1170 0.201,1171 0.193,1172 0.294,1173 0.18,1174 0.138,1175 4.615,1176 0.199,1177 4.437,1178 0.142,1179 6.767,1180 0.481,1181 4.139,1182 0.134,1183 3.165,1184 4.573,1185 3.272,1186 11.061,1187 3.085,1188 2.022,1189 1.999,1190 2.08,1191 2.124,1192 1.253,1193 2.113,1194 1.866,1195 1.849,1196 1.936,1197 1.92,1198 1.059,1199 1.945,1200 1.407,1201 1.346,1202 1.544,1203 1.64,1204 0.682,1205 1.627,1206 1.219,1207 1.179,1208 1.406,1209 1.403,1210 0.425,1211 1.414,1212 0.961,1213 0.882,1214 1.251,1215 1.29,1216 0.218,1217 1.321,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.101,1223 1.107,1224 0.788,1225 0.736,1226 1.014,1227 1.009,1228 0.005,1229 1.021,1230 0.689,1231 0.604,1232 0.893,1233 0.873,1235 0.919,1236 3.85,1238 5.165,1240 6.681,1242 8.296,1244 9.964,1247 5.888,1250 11.623,1252 0.774,1255 1.709,1262 23.734,1263 58.265,1264 119.671,1265 139.322,1266 158.974,1267 158.974,1268 158.974,1269 26.458,1270 6.811,1271 77.82,1272 103.12,1273 18,1274 12.197,1275 4.17,1276 3.248,1277 32.244,1278 66,1279 73,1280 0.239,1281 155.697,1282 254.88,1283 371.661,1284 7733,1285 2.9,1286 14.82,1287 0.706,1288 0.603,1289 15.673,1290 12.656,1291 10.131,1292 0.44,1293 0.334,1294 6.39,1295 9.14,1296 6.111,1297 5.056,1298 10.874,1299 7.686,1300 9.286,1301 0.29,1302 0.188,1303 10.271,1304 6.006,1305 7.456,1306 0.182,1307 0.107,1308 8.422,1309 4.376,1310 6.425,1311 0.119,1312 0.058,1313 7.248,1314 3.133,1315 5.11,1316 0.076,1317 0.036,1318 6.223,1319 2.407,1320 0.37,1321 69.897,1322 0.256,1323 20.776,1324 0.664,1325 110,1326 302.978,1327 154.185,1328 356.294,1329 481.17,1330 332,1331 128,1332 322.244,1333 161.794,1334 352.935,1335 514.19,1336 332,1337 7.7}
{0 CHEMBL267002,1 1.739,2 5.154,3 1.62,4 2.623,5 53.266,6 9.732,7 0.786,8 3.154,9 3.287,10 2.923,11 2.714,12 4.455,13 2.723,14 3.548,15 3.692,16 3.327,17 3.074,18 4.914,19 3.058,20 3.726,21 3.896,22 3.315,23 3.131,24 4.99,25 3.099,26 3.635,27 3.826,28 3.122,29 2.94,30 4.959,31 2.876,32 3.523,33 3.768,34 2.935,35 2.609,36 4.872,37 2.519,38 3.132,39 3.446,40 1.882,41 2.104,42 4.056,43 1.85,44 2.269,45 2.614,46 1.538,47 1.225,48 3.288,49 1.019,50 1.219,51 1.33,52 0.403,53 0.664,54 2.222,55 0.454,56 0.082,57 0.333,58 2.511,59 1.267,60 11.337,61 1.361,62 0.139,63 0.478,64 4.382,65 2.396,66 13.441,67 2.923,68 0.194,69 0.515,70 8.428,71 2.653,72 18.499,73 2.947,74 0.177,75 0.447,76 6.83,77 2.575,78 20.906,79 3.075,80 0.256,81 0.324,82 8.02,83 2.014,84 28.874,85 2.478,86 0.162,87 0.163,88 9.664,89 2.145,90 20.069,91 2.882,92 0.078,93 0.05,94 4.203,95 0.931,96 10.603,97 1.421,98 0.04,99 0.002,100 3.11,101 0.352,102 4.159,103 0.341,104 10,105 20,106 0.368,107 0.687,108 0.779,109 0.872,110 0.872,111 0.872,112 2.671,113 0.863,114 -3.61,115 -3.58,116 -3.41,119 40,139 3,140 1,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 3,172 3,173 3,175 1,178 4,180 1,182 3,187 1,189 4,191 1,193 1,195 1,196 1,197 1,198 3,200 2,204 3,205 1,207 3,212 4,218 4,239 1,243 1,273 114,274 8.447,275 8.447,276 8.447,277 8.447,278 8.447,279 7.058,280 7.926,281 4.892,282 8.762,283 6.905,284 6.905,285 6.905,286 6.905,287 6.905,288 4.86,289 8.141,290 2.34,291 7.473,292 2.583,293 1.075,294 0.638,295 0.2,296 0.2,297 0.2,298 3.303,299 1,301 1,302 1,303 139,304 1.581,307 51.529,311 44.341,314 0.828,315 13.15,318 1,319 0.67,320 0.83,321 0.4,323 1,324 1,325 0.7,326 28.333,327 67,328 4.537,329 3.162,330 6.498,331 4.035,332 3.072,333 4.489,335 10.153,336 2.957,337 3.72,338 2.773,339 5.115,340 3.218,341 2.326,342 3.193,344 6.29,345 2.049,346 3.427,347 2.192,348 5.058,349 2.956,350 2.024,351 2.811,353 5.796,354 1.888,355 3.331,356 2.047,357 4.86,358 2.823,359 1.919,360 2.651,362 5.449,363 1.658,364 2.451,365 1.059,366 3.708,367 1.98,368 1.006,369 1.431,371 2.565,372 0.976,373 1.485,374 0.547,375 2.746,376 1.006,377 0.132,378 0.171,380 0.313,381 0.103,382 0.978,383 -0.221,384 2.55,385 0.482,386 -0.434,387 -0.564,389 -1.129,390 -0.379,391 0.652,392 -0.315,393 2.339,394 0.174,395 -0.675,396 -0.814,398 -1.644,399 -0.492,400 0.472,401 -0.728,402 1.753,403 0.137,404 -0.816,405 -1.108,407 -2.308,408 -0.786,409 0.011,410 -1.046,411 1.462,412 -0.486,413 -1.276,414 -1.684,415 -3.257,416 -1.053,417 -0.225,418 -1.402,419 1.139,420 -0.603,421 -1.517,422 -2.02,423 -4.205,424 -1.395,425 -0.339,426 -1.707,427 1.078,428 -0.849,429 -1.761,430 -2.555,431 -5.152,432 -1.653,433 -0.5,434 -2,435 1,436 -1,437 -2,438 -3,439 -5.976,440 -1.874,441 -0.5,442 -2,443 0.695,444 -1.072,445 -2,446 -3,448 -6.894,449 -2,459 6.314,460 0.486,461 0.421,462 0.032,463 19.75,464 1.519,465 11,466 0.846,467 8.75,468 0.673,469 6.506,470 0.5,471 13.486,472 0.674,473 11.077,474 0.852,475 3.9,476 0.3,477 2.265,478 0.174,479 0.24,481 0.396,485 1.043,486 1.111,487 0.557,488 0.596,489 1.304,490 0.604,491 0.447,492 0.865,493 0.527,494 0.771,495 0.378,496 0.759,497 1.317,498 1.192,499 1.105,500 0.987,501 1.086,502 0.965,503 0.982,504 1.276,505 0.996,506 1.222,507 0.941,508 1.25,509 1.001,510 1.021,511 0.995,512 1.137,513 1.234,514 1.206,515 1.211,516 0.617,517 1.428,518 1.046,519 1.331,520 1.103,521 0.103,522 0.398,523 0.566,524 0.694,525 0.043,526 0.569,527 5.404,528 0.107,529 8.611,530 4.023,531 4.18,532 2.93,533 3.5,535 1.556,536 1.063,537 1.058,538 0.174,539 0.121,543 936,544 3681,545 1.992,546 35,548 3,551 4,555 1.49,556 1.814,557 2.443,558 2.492,562 1,564 34.787,565 1.739,566 3.246,567 3.684,568 4.122,569 4.122,570 4.122,571 1.884,572 3.547,573 3.678,574 2.442,575 190.506,576 6.113,577 1381.47,579 1,582 86.439,583 1.549,584 3.601,585 0.25,587 0.078,588 0.056,589 0.076,590 0.022,591 0.06,595 0.541,596 0.5,597 1,598 0.773,599 45.931,600 -0.313,601 0.065,602 -0.04,603 0.207,604 -0.475,605 0.157,606 0.3,607 0.246,608 0.112,609 0.102,610 0.306,611 0.084,612 -0.384,613 -0.162,614 -0.226,615 -0.089,616 -0.275,617 -0.109,618 -0.075,619 -0.292,620 -0.156,621 -0.329,622 0.005,623 -0.363,624 0.095,625 -0.127,626 0.024,627 -0.217,628 -0.029,629 -0.255,630 -0.131,631 0.006,632 -0.028,633 0.13,634 -0.204,635 0.171,636 0.942,637 0.092,638 0.894,639 0.578,640 1.071,641 0.897,642 -2.171,643 0.065,644 -3.428,645 -2.025,646 -1.891,647 -1.538,648 1.493,649 1.677,650 0.769,651 4.982,652 1.025,653 1.138,654 2.375,655 5.642,656 0.72,657 2.708,658 3.045,659 3.258,660 3.526,661 3.738,662 3.611,663 3.497,664 3.258,665 3.219,666 2.197,667 3.223,668 0.698,669 194.64,670 2.708,671 4.234,672 5.069,673 5.953,674 6.81,675 7.695,676 8.56,677 9.442,678 10.311,679 11.192,680 20,684 2,690 2,694 2,695 3,696 2,700 3,702 11,711 2,717 1,718 20,719 11,720 1,721 14,723 21,724 8,725 8,726 3,727 3,729 2,730 3,731 1,741 8,757 7,758 4,759 4,760 5,761 1,764 4,769 0.5,776 1,781 2,785 1,802 1,807 1,810 13,811 2,828 1,836 7.167,837 3.46,838 2.806,839 0.972,840 2.378,841 1.424,842 1.025,843 1.884,844 7.984,845 3.02,846 3.726,847 4.35,848 5,849 5.608,850 5.829,851 6.09,852 6.306,853 6.612,854 5.689,855 0.75,856 19,857 4.707,858 -0.003,859 1.975,860 7.996,861 8.642,862 -0.001,863 6.836,864 0.001,865 2.496,866 32.444,867 0.004,870 35.313,871 40.873,872 99.365,873 39.149,877 40.873,878 74.462,879 99.365,882 94.223,883 33.571,884 8.218,885 4.227,886 35.313,887 39.149,888 35.313,889 140.239,891 39.149,893 35.313,897 4.043,898 102.625,899 72.72,901 35.313,902 99.365,903 80.022,906 35.313,907 12.445,908 28.429,910 138.514,911 35.313,912 99.365,913 80.022,915 0.592,916 0.335,917 0.186,918 0.108,919 11,920 5,923 1,924 1.2,925 2.445,926 80.855,927 0.2,928 10,929 48.106,933 8.381,934 2.923,935 1.469,936 1.427,937 99.365,938 5.202,939 7.834,943 1.13,945 65.794,946 214.701,947 19.5,956 20.498,957 22.768,958 0.402,959 0.751,960 0.852,961 0.954,962 0.954,963 0.954,964 4.23,965 -0.675,966 5.081,967 -1.129,968 3.714,969 4.407,971 5.889,972 3.57,973 5.489,974 -0.816,975 6.642,976 -1.644,977 3.434,978 4.407,980 6.763,981 3.179,982 6.824,983 -1.276,984 8.298,985 -2.308,986 5.303,987 6.755,989 9.85,990 5.059,991 8.193,992 -1.517,993 10.007,994 -3.257,995 5.74,996 7.509,998 11.519,999 5.421,1000 9.588,1001 -1.761,1002 11.749,1003 -4.205,1004 7.166,1005 9.386,1007 14.152,1008 6.853,1009 11.004,1010 -2,1011 13.516,1012 -5.152,1013 7.958,1014 10.523,1016 16.19,1017 7.598,1018 12.437,1019 -2,1020 15.304,1021 -5.976,1022 9.201,1023 12.192,1025 18.642,1026 8.832,1027 3.072,1029 17.107,1030 -6.894,1031 10.169,1032 13.524,1034 20.842,1035 9.764,1036 2.326,1037 10.153,1038 18.923,1040 11.337,1041 15.099,1043 23.218,1044 10.912,1045 2.024,1046 6.29,1047 20.751,1048 4.489,1049 12.388,1050 16.524,1052 25.486,1053 11.929,1054 1.919,1055 5.796,1056 22.587,1057 3.193,1058 13.527,1059 18.057,1061 27.83,1062 13.04,1063 1.006,1064 5.449,1065 24.431,1066 2.811,1067 14.617,1068 19.524,1070 30.127,1071 14.095,1072 0.132,1073 2.565,1074 26.28,1075 2.651,1076 15.744,1077 21.04,1079 32.456,1080 15.19,1081 -0.434,1082 0.313,1083 28.134,1084 1.431,1085 16.852,1086 22.526,1088 34.765,1089 16.262,1090 1003,1091 2050,1092 8.959,1093 14.404,1094 21.188,1095 21.536,1096 21.906,1097 21.062,1098 20.959,1099 29.49,1101 61.132,1102 19.263,1103 5.037,1104 5.162,1105 5.803,1106 5.106,1107 5.072,1108 7.489,1110 17.047,1111 4.957,1112 6.563,1113 1.513,1114 1.538,1115 1.565,1116 1.504,1117 1.497,1118 2.106,1120 4.367,1121 1.376,1122 4.055,1123 4.088,1124 4.096,1125 3.969,1126 5.313,1127 3.977,1128 3.467,1129 3.528,1130 3.656,1131 3.285,1132 4.986,1133 3.306,1134 3.131,1135 3.237,1136 3.095,1137 2.911,1138 4.885,1139 2.925,1140 2.854,1141 2.924,1142 3.009,1143 2.659,1144 4.452,1145 2.664,1146 2.677,1147 2.79,1148 2.486,1149 2.387,1150 3.956,1151 2.402,1152 2.245,1153 2.369,1154 2.336,1155 1.82,1156 3.677,1157 1.838,1158 1.978,1159 2.077,1160 1.985,1161 1.651,1162 3.455,1163 1.656,1164 1.566,1165 1.678,1166 1.656,1167 1.354,1168 2.795,1169 1.279,1170 0.324,1171 0.226,1172 0.464,1173 0.288,1174 0.219,1175 4.537,1176 0.321,1177 3.162,1179 6.498,1180 0.725,1181 4.035,1182 0.211,1183 3.072,1184 4.489,1186 10.153,1187 2.957,1188 2,1189 1.976,1190 2.048,1191 2.11,1192 1.16,1193 2.096,1194 1.376,1195 1.321,1196 1.497,1197 1.605,1198 0.401,1199 1.59,1200 1.053,1201 0.978,1202 1.295,1203 1.386,1204 0.193,1205 1.371,1206 0.79,1207 0.712,1208 1.071,1209 1.028,1211 1.052,1212 0.627,1213 0.514,1214 0.938,1215 0.959,1217 0.974,1218 0.148,1220 0.507,1221 0.508,1223 0.514,1226 0.094,1227 0.193,1229 0.178,1232 0.059,1235 0.015,1236 3.367,1238 4.691,1240 6.221,1242 7.853,1244 9.538,1247 5.788,1250 11.064,1262 13.967,1263 34.787,1264 64.929,1265 73.684,1266 82.439,1267 82.439,1268 82.439,1269 13.545,1270 5.606,1271 77.82,1272 77.82,1273 12,1274 11.729,1275 3.585,1276 2.7,1277 19.04,1278 26,1279 21,1280 0.414,1281 93.595,1282 146.45,1283 220.133,1284 1402,1285 5,1286 9.422,1287 0.725,1288 0.57,1289 9.922,1290 7.415,1291 6.165,1292 0.44,1293 0.288,1294 3.63,1295 5.654,1296 3.528,1297 2.92,1298 6.453,1299 4.027,1300 5.896,1301 0.295,1302 0.153,1303 6.304,1304 3.065,1305 4.52,1306 0.181,1307 0.078,1308 4.783,1309 1.94,1310 3.9,1311 0.118,1312 0.04,1313 4.119,1314 1.315,1315 3.148,1316 0.077,1317 0.022,1318 3.468,1319 0.896,1320 0.589,1321 41.557,1322 0.334,1323 12.7,1324 1.314,1325 68,1326 212.118,1327 89.903,1328 243.053,1329 323.25,1330 224,1331 79,1332 221.187,1333 94.42,1334 235.257,1335 341.82,1336 221,1337 5.4}
{0 CHEMBL267207,1 1.555,2 7.667,3 2.411,4 5.811,5 77.468,6 7.659,7 0.55,8 3.632,9 3.768,10 3.286,11 3.241,12 4.692,13 3.173,14 4.158,15 4.334,16 3.657,17 3.668,18 5.165,19 3.555,20 4.42,21 4.647,22 3.525,23 3.738,24 5.264,25 3.595,26 4.471,27 4.726,28 3.488,29 3.706,30 5.352,31 3.54,32 4.431,33 4.698,34 3.351,35 3.628,36 5.29,37 3.434,38 4.296,39 4.589,40 3.094,41 3.427,42 5.121,43 3.211,44 3.982,45 4.298,46 3.074,47 3.077,48 4.774,49 2.888,50 3.451,51 3.698,52 2.674,53 2.666,54 4.558,55 2.537,56 0.046,57 0.553,58 7.775,59 3.144,60 8.394,61 4.149,62 0.147,63 0.89,64 14.905,65 6.232,66 18.492,67 8.004,68 0.141,69 1.054,70 21.83,71 7.561,72 15.677,73 10.01,74 0.196,75 1.062,76 21.517,77 7.674,78 28.136,79 10.571,80 0.211,81 1.013,82 24.115,83 7.509,84 27.949,85 9.85,86 0.197,87 0.839,88 20.651,89 6.447,90 27.372,91 8.705,92 0.13,93 0.602,94 16.117,95 4.679,96 15.679,97 6.804,98 0.078,99 0.403,100 9.366,101 2.524,102 13.663,103 3.209,104 5,105 28,106 0.289,107 0.662,108 0.796,109 0.881,110 0.881,111 0.881,112 2.961,113 1.055,114 -4.09,115 -4.04,116 -3.82,119 38.2,121 4,122 1,139 2,140 1,143 1,144 1,147 1,148 1,149 1,157 2,158 2,159 2,166 6,169 1,170 3,172 3,173 3,175 1,178 10,180 1,182 3,187 1,189 7,191 1,193 3,195 1,196 1,197 1,198 4,200 2,201 5,204 4,205 1,207 3,212 4,215 6,218 4,226 1,229 2,231 1,234 4,239 3,243 3,246 2,251 1,256 1,265 2,270 2,273 302,274 12.171,275 12.171,276 12.171,277 12.171,278 12.171,279 10.72,280 13.839,281 7.207,282 12.563,283 9.905,284 9.905,285 9.905,286 9.905,287 9.905,288 7.775,289 13.245,290 3.474,291 10.546,292 3.533,293 1.531,294 0.809,295 0.353,296 0.353,297 0.353,298 3.638,300 1,301 1,302 1,303 301,304 2,306 44.638,307 81.928,311 70.058,314 1.37,315 12.738,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 38,327 138,328 4.418,329 3.273,330 6.503,331 4.052,332 3.081,333 4.092,335 10.179,336 2.994,337 3.95,338 2.805,339 5.564,340 3.569,341 2.631,342 3.489,344 7.638,345 2.473,346 3.538,347 2.372,348 5.102,349 3.19,350 2.261,351 2.829,353 6.262,354 2.083,355 3.322,356 2.221,357 5.058,358 2.961,359 2.023,360 2.562,362 5.797,363 1.892,364 3.171,365 2.037,366 4.916,367 2.877,368 1.926,369 2.262,371 5.613,372 1.822,373 2.554,374 1.323,375 3.71,376 2.119,377 1.166,378 1.573,380 2.57,381 1.098,382 2.118,383 1.265,384 3.436,385 1.979,386 1.005,387 1.065,389 2.564,390 0.976,391 2.091,392 0.618,393 3,394 1.464,395 0.618,396 0.927,398 1.372,399 0.507,400 1.38,401 0.321,402 2.858,403 1.143,404 0.191,405 0.218,407 0.489,408 0.181,409 0.927,410 -0.186,411 2.644,412 0.584,413 -0.356,414 -0.429,415 -0.983,416 -0.332,417 0.765,418 -0.304,419 2.494,420 0.458,421 -0.475,422 -0.572,423 -1.224,424 -0.441,425 0.265,426 -0.559,427 2.197,428 0.148,429 -0.815,430 -0.864,431 -2.187,432 -0.783,433 0.23,434 -0.725,435 1.666,436 0.005,437 -0.957,438 -1.094,439 -2.588,440 -0.923,441 -0.118,442 -1.368,443 1.457,444 -0.498,445 -1.46,446 -1.723,448 -3.445,449 -1.256,450 -0.123,451 -1.401,452 1.192,453 -0.595,454 -1.519,455 -1.903,457 -4.198,458 -1.393,459 8.933,460 0.496,461 0.452,462 0.025,463 22.5,464 1.25,465 11,466 0.611,467 11.5,468 0.639,469 14.657,470 0.814,471 19.267,472 0.567,473 11.908,474 0.662,475 3.857,476 0.214,477 4.863,478 0.27,479 0.09,481 0.336,485 1.128,486 1.053,487 0.792,488 0.805,489 1.247,490 0.842,491 0.379,492 0.931,493 0.854,494 0.999,495 0.327,496 0.997,497 1.025,498 1.159,499 1.135,500 1.165,501 0.807,502 1.128,503 0.844,504 0.998,505 0.876,506 0.972,507 0.826,508 1.088,509 1.316,510 0.988,511 1.247,512 1.092,513 1.397,514 1.088,515 1.248,516 0.813,517 1.061,518 0.903,519 1.313,520 0.984,521 0.419,522 0.937,523 0.544,524 0.8,525 0.513,526 0.677,527 1.661,528 1.356,529 1.342,530 1.182,531 1.467,532 0.985,533 4,534 0.02,535 1.556,536 1.285,537 1.053,538 0.285,539 0.344,540 0.127,541 0.11,542 0.047,543 2875,544 7471,545 2.12,546 47.1,547 5,548 2,549 1,551 4,552 4,555 1.585,556 2,557 2.945,558 2.05,560 1,562 1,564 52.868,565 1.555,566 3.557,567 4.278,568 4.735,569 4.735,570 4.735,571 2.558,572 2.975,573 4.142,574 3.075,575 470.419,576 7.022,577 4346.63,578 1,579 1,581 1,582 172.974,583 1.352,584 4.109,585 0.2,586 0.01,587 0.056,588 0.051,589 0.048,590 0.016,591 0.026,592 0.011,593 0.012,594 0.012,595 0.441,596 0.5,597 1,598 0.584,599 75.813,600 -0.18,601 0.121,602 0.049,603 0.158,604 -0.184,605 0.114,606 0.401,607 0.145,608 0.065,609 0.019,610 0.361,612 -0.136,613 -0.161,614 -0.19,615 -0.183,616 -0.069,617 -0.152,618 0.056,619 -0.06,620 -0.048,621 -0.087,622 0.062,623 -0.129,624 -0.256,625 -0.015,626 -0.195,627 -0.091,628 -0.278,629 -0.125,630 -0.223,631 0.1,632 -0.08,633 0.042,634 -0.246,635 -0.022,636 0.391,637 -0.122,638 0.475,639 0.187,640 0.275,641 0.34,642 -0.213,643 -0.285,644 -0.121,645 -0.133,646 0.002,647 -0.065,648 1.372,649 1.949,650 0.833,651 11.753,652 0.994,653 1.13,654 2.863,655 8.196,656 0.683,657 3.045,658 3.367,659 3.611,660 3.892,661 4.043,662 4.078,663 4.174,664 4.22,665 4.317,666 4.143,667 4.655,668 0.63,669 260.4,670 3.045,671 4.575,672 5.416,673 6.293,674 7.151,675 8.031,676 8.895,677 9.777,678 10.645,679 11.527,680 11.8,684 2,690 2,695 3,696 2,699 1,700 5,702 11,711 2,718 34,719 11,721 20,723 36,724 13,725 8,729 3,730 4,736 3,737 1,739 4,741 8,742 5,743 1,753 1,754 1,757 16,758 4,759 4,760 5,761 1,764 4,769 0.667,776 1,780 1,781 2,785 1,802 2,804 1,810 18,811 2,816 4,820 1,825 1,836 9,837 5.817,838 3.889,839 2.019,840 1.949,841 1.3,842 1.018,843 3.205,844 8.45,845 3.277,846 3.866,847 4.377,848 4.907,849 5.194,850 5.322,851 5.462,852 5.704,853 6.071,854 6.2,855 1,856 25,857 6.64,859 2.829,860 7.583,861 13.02,863 11.091,865 2.083,866 37.5,867 0.002,870 141.253,871 79.545,872 99.365,876 31.278,877 48.267,878 141.253,879 99.365,881 10.138,882 92.396,883 33.571,884 5.942,885 17.357,886 160.76,888 141.253,889 147.633,891 31.278,893 141.253,897 14.794,898 99.268,899 33.571,900 31.278,901 141.253,902 99.365,903 79.545,906 141.253,907 52.944,908 26.602,910 99.365,911 141.253,912 99.365,913 79.545,915 0.583,916 0.333,917 0.187,918 0.093,919 15,920 6,921 0.056,922 2,923 1,924 1.133,925 3.102,926 130.494,927 0.133,928 15,929 75.059,930 1,933 11.908,934 4.845,935 2.513,937 99.365,938 6.433,939 8.361,942 1.822,943 4.453,945 65.794,946 320.164,947 25.5,956 33.785,957 38.404,958 0.306,959 0.699,960 0.841,961 0.931,962 0.931,963 0.931,964 4.508,965 0.618,966 5.398,967 2.564,968 4.043,969 4.549,971 6.184,972 3.934,973 5.701,974 0.191,975 6.936,976 1.372,977 3.611,978 4.311,980 6.986,981 3.461,982 6.996,983 -0.356,984 8.57,985 0.489,986 5.609,987 6.689,989 10.084,990 5.417,991 8.324,992 -0.475,993 10.258,994 -0.983,995 5.969,996 7.27,998 11.708,999 5.737,1000 9.681,1001 -0.815,1002 11.983,1003 -1.224,1004 7.439,1005 9.103,1007 14.32,1008 7.184,1009 11.059,1010 -0.957,1011 13.734,1012 -2.187,1013 8.181,1014 10.081,1016 16.323,1017 7.892,1018 12.455,1019 -1.46,1020 15.505,1021 -2.588,1022 9.434,1023 11.681,1025 18.756,1026 9.127,1027 3.081,1028 -1.519,1029 17.291,1030 -3.445,1031 10.367,1032 12.861,1034 20.934,1035 10.032,1036 2.631,1037 10.179,1038 19.092,1039 -4.198,1040 11.531,1041 14.356,1043 23.298,1044 11.177,1045 2.261,1046 7.638,1047 20.903,1048 4.092,1049 12.558,1050 15.64,1052 25.555,1053 12.179,1054 2.023,1055 6.262,1056 22.724,1057 3.489,1058 13.689,1059 17.086,1061 27.892,1062 13.288,1063 1.926,1064 5.797,1065 24.554,1066 2.829,1067 14.762,1068 18.425,1070 30.183,1071 14.337,1072 1.166,1073 5.613,1074 26.39,1075 2.562,1076 15.881,1077 19.848,1079 32.509,1080 15.434,1081 1.005,1082 2.57,1083 28.233,1084 2.262,1085 16.977,1086 21.216,1088 34.816,1089 16.505,1090 2784,1091 4567,1092 13.523,1093 23.239,1094 30.131,1095 29.914,1096 29.894,1097 29.787,1098 29.807,1099 38.033,1101 84.967,1102 28.051,1103 5.363,1104 5.273,1105 6.117,1106 5.124,1107 5.081,1108 7.092,1110 17.073,1111 4.994,1112 7.005,1113 1.507,1114 1.496,1115 1.495,1116 1.489,1117 1.49,1118 1.902,1120 4.248,1121 1.403,1122 4.011,1123 4.053,1124 4.221,1125 3.962,1126 5.282,1127 3.921,1128 3.837,1129 3.855,1130 3.922,1131 3.813,1132 4.978,1133 3.774,1134 3.519,1135 3.588,1136 3.43,1137 3.347,1138 4.671,1139 3.354,1140 3.176,1141 3.27,1142 3.025,1143 2.996,1144 4.455,1145 2.983,1146 3.063,1147 3.166,1148 2.907,1149 2.818,1150 4.014,1151 2.833,1152 2.826,1153 2.949,1154 2.682,1155 2.518,1156 3.734,1157 2.523,1158 2.664,1159 2.777,1160 2.593,1161 2.442,1162 3.419,1163 2.437,1164 2.378,1165 2.471,1166 2.452,1167 2.376,1168 3.355,1169 2.227,1170 0.221,1171 0.164,1172 0.325,1173 0.203,1174 0.154,1175 4.418,1176 0.205,1177 3.273,1179 6.503,1180 0.509,1181 4.052,1182 0.15,1183 3.081,1184 4.092,1186 10.179,1187 2.994,1188 1.95,1189 1.911,1190 2.089,1191 2.085,1192 1.462,1193 2.086,1194 1.61,1195 1.572,1196 1.737,1197 1.775,1198 0.958,1199 1.773,1200 1.438,1201 1.401,1202 1.606,1203 1.581,1204 0.75,1205 1.603,1206 1.314,1207 1.277,1208 1.5,1209 1.436,1210 0.661,1211 1.49,1212 1.12,1213 1.046,1214 1.337,1215 1.388,1216 0.525,1217 1.395,1218 0.913,1219 0.82,1220 1.213,1221 1.195,1222 0.163,1223 1.244,1224 0.751,1225 0.631,1226 1.071,1227 1.056,1228 0.064,1229 1.089,1230 0.504,1231 0.386,1232 0.895,1233 0.8,1235 0.868,1236 3.714,1238 5.03,1239 2.398,1240 6.535,1241 4.443,1242 8.137,1243 6.26,1244 9.793,1250 11.576,1252 4.212,1256 0.644,1262 21.434,1263 52.868,1264 120.935,1265 145.464,1266 160.974,1267 160.974,1268 160.974,1269 21.767,1270 6.501,1271 77.82,1272 106.06,1273 17,1274 12.064,1275 3.585,1276 2.7,1277 25.785,1278 52,1279 40,1280 0.261,1281 136.962,1282 223.89,1283 325.947,1284 4900,1286 12.535,1287 0.696,1288 0.606,1289 12.889,1290 10.912,1291 8.72,1292 0.436,1293 0.352,1294 6.18,1295 8.014,1296 5.963,1297 4.915,1298 9.174,1299 7.032,1300 8.043,1301 0.287,1302 0.208,1303 8.653,1304 5.817,1305 6.508,1306 0.181,1307 0.122,1308 7.125,1309 4.393,1310 5.703,1311 0.119,1312 0.072,1313 6.312,1314 3.439,1315 4.147,1316 0.074,1317 0.041,1318 4.45,1319 2.281,1320 0.398,1321 58.257,1322 0.272,1323 17.983,1324 0.745,1325 96,1326 228.775,1327 124.666,1328 251.785,1329 349.85,1330 236,1331 112,1332 249.724,1333 134.365,1334 269.132,1335 390.42,1336 254,1337 7.097}
{0 CHEMBL267437,1 1.666,2 9.478,3 3.821,4 14.6,5 84.659,6 8.059,7 0.48,8 3.805,9 3.938,10 3.409,11 3.318,12 4.986,13 3.322,14 4.373,15 4.542,16 3.892,17 3.737,18 6.038,19 3.716,20 4.617,21 4.829,22 3.843,23 3.895,24 5.746,25 3.833,26 4.749,27 5.001,28 3.761,29 3.855,30 5.903,31 3.773,32 4.654,33 4.91,34 3.614,35 3.745,36 5.773,37 3.655,38 4.616,39 4.906,40 3.356,41 3.609,42 5.668,43 3.495,44 4.366,45 4.638,46 3.418,47 3.415,48 5.48,49 3.349,50 4.239,51 4.486,52 3.342,53 3.141,54 5.683,55 3.181,56 0.136,57 0.839,58 7.282,59 3.626,60 33.225,61 4.339,62 0.794,63 1.626,64 15.564,65 6.903,66 145.474,67 8.33,68 0.377,69 1.497,70 20.355,71 8.208,72 49.079,73 10.975,74 0.685,75 1.529,76 26.812,77 9.145,78 110.135,79 12.024,80 0.579,81 1.358,82 24.085,83 7.795,84 95.063,85 10.669,86 0.773,87 1.153,88 26.246,89 7.483,90 133.444,91 10.123,92 0.443,93 1.069,94 19.44,95 6.374,96 80.457,97 8.582,98 0.699,99 1.077,100 17.79,101 4.495,102 119.179,103 4.548,104 27,105 37,106 0.298,107 0.636,108 0.764,109 0.851,110 0.878,111 0.878,112 3.188,113 0.887,114 -5.41,115 -5.29,116 -4.94,119 40,121 4,122 1,131 1,139 4,140 3,143 1,144 1,147 1,157 2,158 2,159 2,166 12,169 1,170 3,172 3,173 3,175 1,178 15,180 1,182 3,187 1,189 13,191 1,193 3,195 1,196 1,197 1,198 4,200 2,201 9,204 4,205 1,207 3,212 4,215 9,218 4,221 2,226 2,229 6,231 2,234 4,239 3,241 2,243 3,246 4,251 3,256 3,260 2,265 3,270 3,273 664,274 14.798,275 14.798,276 14.798,277 14.798,278 14.798,279 13.283,280 18.294,281 8.467,282 15.227,283 12.362,284 12.362,285 12.362,286 12.362,287 12.362,288 10.057,289 18.869,290 4.058,291 13.149,292 3.656,293 1.77,294 1.057,295 0.569,296 0.419,297 0.419,298 3.863,300 1,301 1,302 1,303 461,304 3.24,307 188.217,311 98.076,314 1.501,315 40.055,316 1,317 1,318 0.75,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.86,326 52.5,327 218,328 4.454,329 4.46,330 7.116,331 4.182,332 3.32,333 4.092,334 3.825,335 11.69,336 3.002,337 4.416,338 3.273,339 6.503,340 4.05,341 3.081,342 3.866,344 10.179,345 2.901,346 3.831,347 2.809,348 5.572,349 3.567,350 2.593,351 3.106,353 7.673,354 2.496,355 3.528,356 2.384,357 5.126,358 3.195,359 2.244,360 2.824,362 6.347,363 2.121,364 3.321,365 2.221,366 5.06,367 2.962,368 2.023,369 2.561,371 5.798,372 1.893,373 3.177,374 2.101,375 4.938,376 2.883,377 1.93,378 2.281,380 5.672,381 1.828,382 2.845,383 1.776,384 4.469,385 2.46,386 1.507,387 1.942,389 4.329,390 1.409,391 2.57,392 1.3,393 3.709,394 2.093,395 1.113,396 1.6,398 2.565,399 1.079,400 2.091,401 1.185,402 3.492,403 1.981,404 1.006,405 1.066,407 2.543,408 0.978,409 1.428,410 0.51,411 3.026,412 1.221,413 0.249,414 0.281,415 0.649,416 0.241,417 1.041,418 0.51,419 2.733,420 0.726,421 -0.239,422 -0.288,423 -0.64,424 -0.23,425 0.853,426 0.396,427 2.674,428 0.476,429 -0.452,430 -0.557,431 -1.164,432 -0.418,433 0.662,434 -0.041,435 2.516,436 0.263,437 -0.714,438 -0.863,439 -1.835,440 -0.692,441 0.486,442 -0.291,443 2.27,444 0.156,445 -0.815,446 -0.906,448 -2.204,449 -0.7,450 0.265,451 -0.447,452 2,453 0.134,454 -0.837,455 -1,457 -2.46,458 -0.7,459 10.457,460 0.455,461 0.846,462 0.037,463 27.75,464 1.207,465 13,466 0.565,467 14.75,468 0.641,469 19.264,470 0.838,471 26.143,472 0.654,473 20.494,474 0.891,475 5.266,476 0.229,477 5.559,478 0.242,479 0.158,480 0.048,481 0.335,482 3,485 0.621,486 0.958,487 0.704,488 0.983,489 0.667,490 0.896,491 0.289,492 0.702,493 0.646,494 1.035,495 0.286,496 1.012,497 0.528,498 0.928,499 0.851,500 1.182,501 0.443,502 1.155,503 0.816,504 0.922,505 1.002,506 1.082,507 0.786,508 1.11,509 0.776,510 0.911,511 1.053,512 1.107,513 0.751,514 1.159,515 1.018,516 0.755,517 1.131,518 0.809,519 1.017,520 0.948,521 0.787,522 1.012,523 0.731,524 0.992,525 0.811,526 0.89,527 2.12,528 1.466,529 1.453,530 0.877,531 2.129,532 0.878,533 7,534 0.087,535 2.667,536 1.938,537 1.578,538 0.597,539 0.587,540 0.271,541 0.272,542 0.275,543 5465,544 19619,545 2.006,546 42.5,547 7,548 4,551 4,552 2,555 1.655,556 1.828,557 3.224,558 1.865,560 1,562 1,564 66.635,565 1.666,566 3.552,567 4.265,568 4.753,569 4.903,570 4.903,571 2.703,572 4.23,573 4.499,574 3.38,575 855.215,576 7.733,577 9681.9,579 1,580 1,581 1,582 212.877,583 1.72,584 4.418,585 0.28,586 0.007,587 0.072,588 0.054,589 0.051,590 0.023,591 0.029,592 0.012,593 0.014,594 0.017,595 0.56,596 0.17,597 1,598 0.872,599 107.486,600 -0.076,601 0.015,602 -0.006,603 0.104,604 -0.118,605 0.094,606 0.503,607 0.338,608 0.176,609 0.047,610 0.504,611 -0.009,612 -0.001,613 -0.139,614 -0.033,615 -0.165,616 0.052,617 -0.126,618 -0.049,619 -0.082,620 -0.065,621 -0.103,622 -0.029,623 -0.096,624 -0.079,625 -0.127,626 -0.13,627 -0.159,628 -0.066,629 -0.159,630 -0.152,631 0.062,632 -0.115,633 0.124,634 -0.159,635 0.058,636 0.019,637 -0.198,638 0.264,639 -0.004,640 -0.008,641 0.162,642 -0.452,643 -0.118,644 -0.302,645 0.066,646 -0.434,647 -0.01,648 5.565,649 4.789,650 0.696,651 17.342,652 1.025,653 1.158,654 4.18,655 17.474,656 0.648,657 3.258,658 3.638,659 3.829,660 4.078,661 4.317,662 4.317,663 4.443,664 4.454,665 4.625,666 4.625,667 5.724,668 0.636,669 322.37,670 3.258,671 4.828,672 5.666,673 6.564,674 7.421,675 8.315,676 9.18,677 10.07,678 10.94,679 11.827,680 10,684 2,690 2,695 4,696 2,700 6,702 12,711 2,718 40,719 12,720 1,721 25,723 42,724 16,725 10,726 2,727 4,729 3,730 4,734 1,736 3,737 1,738 1,739 4,741 10,742 6,743 1,754 1,755 3,757 17,758 7,759 4,760 7,764 4,769 0.667,776 1,781 3,785 1,802 2,808 3,810 23,811 2,816 4,820 1,822 1,828 3,836 12.583,837 6.912,838 4.806,839 2.342,840 2.293,841 1.326,842 1.003,843 4.094,844 9.333,845 3.466,846 4.078,847 4.57,848 5.092,849 5.58,850 5.641,851 5.813,852 5.935,853 6.318,854 6.561,855 1,856 36,857 8.893,859 4.25,860 8.308,861 15.718,863 13.281,865 2.808,866 64.583,870 153.024,871 72.343,872 99.365,875 44.88,877 72.343,878 153.024,879 144.246,881 10.138,882 103.699,883 33.571,884 57.194,885 4.227,886 153.024,887 7.76,888 153.024,889 171.709,890 44.88,893 153.024,894 44.88,897 22.553,898 115.584,899 33.571,901 197.905,902 99.365,903 72.343,906 160.784,907 26.679,908 37.905,910 144.246,911 153.024,912 144.246,913 72.343,915 0.603,916 0.33,917 0.171,918 0.097,919 19,920 9,921 0.048,922 2,923 1,924 1.125,925 3.431,926 183.59,927 0.125,928 16,929 99.287,933 15.917,934 5.916,935 3.52,937 144.246,938 5.493,939 8.171,943 2.349,945 65.794,946 369.613,947 31,956 41.014,957 46.334,958 0.313,959 0.667,960 0.801,961 0.893,962 0.921,963 0.921,964 4.745,965 1.113,966 5.72,967 4.329,968 4.317,969 4.762,970 3.037,971 6.575,972 4.206,973 5.983,974 1.006,975 7.319,976 2.565,977 4.205,978 4.718,979 3.903,980 7.751,981 3.922,982 7.316,983 0.249,984 9.026,985 2.543,986 6.019,987 6.933,988 5.42,989 10.739,990 5.775,991 8.679,992 -0.239,993 10.797,994 0.649,995 6.635,996 7.589,997 6.69,998 12.687,999 6.207,1000 10.069,1001 -0.452,1002 12.609,1003 -0.64,1004 8.031,1005 9.382,1006 8.058,1007 15.288,1008 7.616,1009 11.478,1010 -0.714,1011 14.452,1012 -1.164,1013 8.964,1014 10.376,1015 9.388,1016 17.537,1017 8.383,1018 12.903,1019 -0.815,1020 16.317,1021 -1.835,1022 10.212,1023 11.979,1024 10.734,1025 20.021,1026 9.604,1027 3.32,1028 -0.837,1029 18.199,1030 -2.204,1031 11.283,1032 13.152,1033 12.074,1034 22.386,1035 10.536,1036 3.081,1037 11.69,1038 20.094,1039 -2.46,1040 12.48,1041 14.658,1042 13.416,1043 24.836,1044 11.675,1045 2.593,1046 10.179,1047 22.001,1048 4.092,1049 13.611,1050 15.929,1051 14.758,1052 27.247,1053 12.686,1054 2.244,1055 7.673,1056 23.917,1057 3.866,1058 14.793,1059 17.383,1060 16.1,1061 29.689,1062 13.79,1063 2.023,1064 6.347,1065 25.839,1066 3.106,1067 15.951,1068 18.708,1069 17.441,1070 32.118,1071 14.839,1072 1.93,1073 5.798,1074 27.767,1075 2.824,1076 17.129,1077 20.135,1078 18.783,1079 34.561,1080 15.93,1081 1.507,1082 5.672,1083 29.7,1084 2.561,1085 18.301,1086 21.49,1087 20.124,1088 37,1089 16.997,1090 5387,1091 10357,1092 16.008,1093 25.927,1094 38.524,1095 38.123,1096 38.823,1097 38.387,1098 38.13,1099 47.235,1100 7.651,1101 114.887,1102 35.895,1103 5.399,1104 6.46,1105 6.662,1106 5.254,1107 5.32,1108 7.092,1109 5.335,1110 18.669,1111 5.002,1112 13.472,1113 1.541,1114 1.525,1115 1.553,1116 1.535,1117 1.525,1118 1.889,1119 0.306,1120 4.595,1121 1.436,1122 4.027,1123 4.068,1124 3.969,1125 3.94,1126 8.513,1127 3.939,1128 3.905,1129 3.939,1130 3.866,1131 3.805,1132 7.999,1133 3.813,1134 3.556,1135 3.624,1136 3.474,1137 3.374,1138 7.999,1139 3.388,1140 3.324,1141 3.377,1142 3.304,1143 3.07,1144 5.282,1145 3.097,1146 3.173,1147 3.266,1148 3.025,1149 2.962,1150 4.978,1151 2.971,1152 3.08,1153 3.174,1154 2.937,1155 2.854,1156 4.694,1157 2.865,1158 2.858,1159 2.972,1160 2.642,1161 2.627,1162 4.456,1163 2.625,1164 2.759,1165 2.858,1166 2.583,1167 2.486,1168 4.03,1169 2.501,1170 0.178,1171 0.178,1172 0.285,1173 0.167,1174 0.133,1175 4.454,1176 0.164,1177 4.46,1178 0.153,1179 7.116,1180 0.468,1181 4.182,1182 0.12,1183 3.32,1184 4.092,1185 3.825,1186 11.69,1187 3.002,1188 1.985,1189 1.953,1190 2.118,1191 2.101,1192 1.47,1193 2.105,1194 1.874,1195 1.842,1196 1.981,1197 1.99,1198 1.138,1199 1.986,1200 1.497,1201 1.436,1202 1.647,1203 1.721,1204 0.803,1205 1.71,1206 1.212,1207 1.146,1208 1.5,1209 1.468,1210 0.743,1211 1.456,1212 1.095,1213 1.037,1214 1.324,1215 1.409,1216 0.411,1217 1.379,1218 1.016,1219 0.939,1220 1.21,1221 1.319,1222 0.259,1223 1.3,1224 0.838,1225 0.733,1226 1.202,1227 1.152,1228 0.089,1229 1.187,1230 0.723,1231 0.614,1232 1.063,1233 1.015,1235 1.039,1236 3.932,1238 5.293,1240 6.838,1242 8.468,1244 10.141,1248 38.368,1250 11.489,1252 2.805,1256 0.223,1258 -4.315,1262 25.45,1263 66.635,1264 142.083,1265 170.612,1266 190.122,1267 196.122,1268 196.122,1269 50.486,1270 7.04,1271 77.82,1272 77.82,1273 18,1274 12.361,1275 3.7,1276 2.807,1277 36.945,1278 80,1279 70,1280 0.231,1281 155.275,1282 272.85,1283 370.631,1284 10034,1285 7.5,1286 16.613,1287 0.722,1288 0.539,1289 14.113,1290 12.398,1291 10.826,1292 0.433,1293 0.296,1294 7.27,1295 10.328,1296 7.169,1297 5.875,1298 9.614,1299 7.395,1300 10.988,1301 0.297,1302 0.16,1303 9.03,1304 5.903,1305 8.041,1306 0.179,1307 0.093,1308 7.079,1309 4.203,1310 6.748,1311 0.116,1312 0.054,1313 6.23,1314 3.112,1315 5.536,1316 0.075,1317 0.031,1318 4.896,1319 2.304,1320 0.361,1321 68.597,1322 0.25,1323 22.449,1324 0.639,1325 124,1326 512.248,1327 147.4,1328 421.478,1329 546.44,1330 388,1331 144,1332 383.324,1333 160.138,1334 371.277,1335 560.02,1336 348,1337 6.721}
{0 CHEMBL267616,1 1.545,2 10.043,3 2.846,4 8.099,5 91.612,6 6.987,7 0.48,8 3.904,9 4.035,10 3.409,11 3.38,12 5.002,13 3.365,14 4.44,15 4.624,16 3.753,17 3.777,18 5.464,19 3.733,20 4.654,21 4.852,22 3.842,23 3.956,24 5.615,25 3.882,26 4.791,27 5.024,28 3.754,29 3.983,30 5.718,31 3.867,32 4.827,33 5.083,34 3.551,35 3.923,36 5.691,37 3.778,38 4.731,39 5.019,40 3.349,41 3.781,42 5.52,43 3.607,44 4.568,45 4.868,46 3.328,47 3.567,48 5.341,49 3.429,50 4.288,51 4.522,52 3.26,53 3.373,54 5.269,55 3.3,56 0.038,57 0.664,58 10.256,59 3.941,60 11.417,61 5.502,62 0.259,63 1.021,64 18.873,65 7.074,66 28.417,67 9.625,68 0.259,69 1.256,70 23.277,71 8.274,72 24.929,73 12.059,74 0.25,75 1.342,76 27.34,77 9.569,78 38.487,79 14.064,80 0.393,81 1.296,82 29.384,83 9.131,84 46.075,85 13.825,86 0.299,87 1.132,88 26.888,89 8.545,90 39.865,91 13.19,92 0.25,93 0.903,94 23.314,95 7.368,96 30.462,97 11.221,98 0.235,99 0.753,100 17.15,101 4.772,102 27.286,103 7.24,104 21,105 35,106 0.27,107 0.598,108 0.75,109 0.821,110 0.844,111 0.852,112 3.188,113 0.926,114 -4,115 -3.95,116 -3.74,119 37.8,121 4,122 1,124 2,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 9,169 1,170 5,172 3,173 3,175 1,178 11,180 1,181 1,182 7,187 1,189 10,191 1,193 6,195 1,196 1,197 1,198 4,200 2,201 7,204 4,205 1,207 5,212 4,215 6,218 4,221 5,226 2,229 2,231 2,234 8,239 3,243 3,246 4,251 2,256 2,259 2,262 1,263 1,265 2,270 2,273 673,274 15.566,275 15.566,276 15.566,277 15.566,278 15.566,279 14.013,280 21.072,281 9.001,282 16.089,283 12.214,284 12.214,285 12.214,286 12.214,287 12.214,288 9.753,289 22.493,290 4.112,291 12.875,292 3.947,293 2.064,294 1.195,295 0.789,296 0.656,297 0.611,298 3.869,300 1,301 1,302 1,303 490,304 2.646,307 190.499,311 100.303,314 1.44,315 19.742,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 50,327 231,328 4.418,329 3.277,330 6.503,331 4.054,332 3.083,333 4.092,334 0.86,335 10.179,336 2.999,337 4.267,338 3.205,339 6.168,340 3.858,341 2.903,342 3.911,343 0.86,344 9.141,345 2.776,346 3.671,347 2.698,348 5.512,349 3.457,350 2.487,351 2.928,353 7.446,354 2.404,355 3.481,356 2.342,357 5.076,358 3.091,359 2.147,360 2.798,362 6.127,363 2.026,364 3.314,365 2.221,366 5.052,367 2.952,368 2.008,369 2.559,371 5.796,372 1.89,373 3.084,374 2.18,375 4.891,376 2.828,377 1.861,378 2.157,380 5.53,381 1.79,382 2.919,383 1.968,384 4.361,385 2.521,386 1.608,387 2.057,389 4.116,390 1.461,391 2.092,392 1.301,393 3.709,394 1.981,395 1.007,396 1.067,398 2.565,399 0.979,400 1.928,401 1.114,402 3.148,403 1.632,404 0.727,405 0.847,407 1.384,408 0.65,409 1.504,410 0.936,411 2.951,412 1.271,413 0.383,414 0.417,415 0.682,416 0.332,417 1.376,418 0.449,419 2.698,420 1.137,421 0.218,422 0.242,423 0.396,424 0.201,425 1.031,426 0.11,427 2.55,428 0.735,429 -0.208,430 -0.244,431 -0.455,432 -0.194,433 0.856,434 -0.225,435 2.484,436 0.479,437 -0.446,438 -0.551,439 -1.134,440 -0.41,441 0.609,442 -0.301,443 2.319,444 0.288,445 -0.642,446 -0.741,448 -1.42,449 -0.585,450 0.526,451 -0.54,452 2.165,453 0.149,454 -0.815,455 -0.865,457 -2.13,458 -0.777,459 10.767,460 0.468,461 0.571,462 0.025,463 29,464 1.261,465 14,466 0.609,467 15,468 0.652,469 19.081,470 0.83,471 25.833,472 0.574,473 19.517,474 0.849,475 5.571,476 0.242,477 5.53,478 0.24,479 0.167,481 0.372,485 0.997,486 1.303,487 0.874,488 1.145,489 1.143,490 1.002,491 1.043,492 0.886,493 0.841,494 0.923,495 0.64,496 0.881,497 0.827,498 1.207,499 0.997,500 1.158,501 0.776,502 1.108,503 0.815,504 1.156,505 1.066,506 1.232,507 0.822,508 1.197,509 1.189,510 1.005,511 1.229,512 1.062,513 1.327,514 1.14,515 0.827,516 0.914,517 1.053,518 1.017,519 1.055,520 1.056,521 0.859,522 0.851,523 0.698,524 0.801,525 0.629,526 0.746,527 1.576,528 1.093,529 1.137,530 0.996,531 1.378,532 0.997,533 5.5,534 0.099,535 2.444,536 1.75,537 1.631,538 0.535,539 0.505,540 0.233,541 0.242,542 0.209,543 5533,544 14617,545 2.041,546 48.9,547 7,548 9,551 4,552 2,555 1.655,556 1.89,557 3.301,558 1.822,559 1,560 1,562 1,564 69.539,565 1.545,566 3.428,567 4.297,568 4.703,569 4.836,570 4.881,571 2.736,572 4.524,573 4.497,574 3.417,575 864.416,576 7.73,577 9801.28,579 1,581 1,582 247.133,583 1.478,584 4.443,585 0.22,586 0.008,587 0.07,588 0.047,589 0.051,590 0.021,591 0.025,592 0.011,593 0.013,594 0.013,595 0.48,596 0.17,597 1,598 0.942,599 107.741,600 -0.092,601 -0.03,602 0.038,603 -0.004,604 -0.136,605 0.041,606 0.04,607 0.217,608 0.117,609 0.159,610 0.211,611 0.139,612 0.035,613 -0.096,614 -0.064,615 -0.089,616 0.004,617 -0.088,618 -0.015,619 -0.125,620 -0.127,621 -0.2,622 0.018,623 -0.186,624 -0.216,625 -0.032,626 -0.256,627 -0.088,628 -0.308,629 -0.166,630 -0.078,631 0.009,632 -0.095,633 -0.05,634 -0.174,635 -0.067,636 0.045,637 -0.029,638 0.291,639 0.165,640 0.154,641 0.251,642 -0.239,643 -0.104,644 -0.116,645 -0.054,646 -0.202,647 -0.063,648 1.403,649 2.014,650 0.696,651 18.382,652 1,653 1.137,654 2.769,655 7.668,656 0.64,657 3.258,658 3.584,659 3.85,660 4.111,661 4.331,662 4.344,663 4.431,664 4.5,665 4.635,666 4.644,667 5.811,668 0.606,669 314.43,670 3.258,671 4.796,672 5.645,673 6.526,674 7.391,675 8.274,676 9.143,677 10.026,678 10.898,679 11.78,680 8.9,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 2,718 45,719 12,720 1,721 25,723 47,724 17,725 10,726 3,727 3,729 3,730 4,736 3,737 1,739 4,741 10,742 7,743 1,753 1,754 1,757 22,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,781 3,785 1,802 2,806 2,810 23,811 2,816 4,818 2,820 1,829 4.4,834 2,836 12.167,837 8.483,838 5.167,839 2.54,840 2.278,841 1.323,842 0.97,843 4.689,844 9.321,845 3.466,846 4.06,847 4.6,848 5.124,849 5.607,850 5.69,851 5.793,852 5.995,853 6.336,854 6.603,855 0.857,856 37,857 8.461,859 3.514,860 7.674,861 16.313,863 13.324,865 2.174,866 50,869 1,870 211.88,871 84.175,872 99.365,874 22,877 84.175,878 233.88,879 99.365,880 21.766,881 10.138,882 94.223,883 33.571,884 41.615,885 4.227,886 211.88,888 211.88,889 183.54,890 22,893 211.88,894 22,897 14.794,898 135.175,899 33.571,901 211.88,902 121.365,903 84.175,906 211.88,907 33.98,908 50.195,910 121.365,911 211.88,912 121.365,913 84.175,915 0.579,916 0.349,917 0.193,918 0.103,919 17,920 8,921 0.085,922 4,923 1,924 1.125,925 3.481,926 181.795,927 0.125,928 16,929 104.042,933 16.029,934 6.728,935 3.408,937 121.365,938 6.069,939 8.403,943 5.569,945 65.794,946 417.42,947 31,956 45.014,957 51.149,958 0.281,959 0.624,960 0.782,961 0.856,962 0.881,963 0.889,964 4.71,965 1.007,966 5.638,967 4.116,968 4.263,969 4.745,970 1.376,971 6.447,972 4.173,973 5.912,974 0.727,975 7.198,976 2.565,977 3.892,978 4.62,980 7.322,981 3.767,982 7.223,983 0.383,984 8.851,985 1.384,986 5.861,987 6.922,988 1.159,989 10.392,990 5.704,991 8.565,992 0.218,993 10.556,994 0.682,995 6.256,996 7.556,998 12.045,999 6.058,1000 9.936,1001 -0.208,1002 12.294,1003 0.396,1004 7.716,1005 9.378,1006 0.963,1007 14.639,1008 7.499,1009 11.326,1010 -0.446,1011 14.055,1012 -0.455,1013 8.477,1014 10.373,1016 16.641,1017 8.218,1018 12.731,1019 -0.642,1020 15.834,1021 -1.134,1022 9.727,1023 11.987,1024 0.787,1025 19.056,1026 9.451,1027 3.083,1028 -0.815,1029 17.626,1030 -1.42,1031 10.668,1032 13.168,1034 21.22,1035 10.352,1036 2.903,1037 10.179,1038 19.428,1039 -2.13,1040 11.83,1041 14.68,1042 0.634,1043 23.565,1044 11.494,1045 2.487,1046 9.141,1047 21.24,1048 4.092,1049 12.858,1050 15.959,1052 25.802,1053 12.486,1054 2.147,1055 7.446,1056 23.06,1057 3.911,1058 13.984,1059 17.417,1060 0.504,1061 28.12,1062 13.589,1063 2.008,1064 6.127,1065 24.886,1066 2.928,1067 15.054,1068 18.749,1070 30.393,1071 14.625,1072 1.861,1073 5.796,1074 26.717,1075 2.798,1076 16.167,1077 20.179,1078 0.395,1079 32.702,1080 15.713,1081 1.608,1082 5.53,1083 28.553,1084 2.559,1085 17.256,1086 21.539,1088 34.992,1089 16.771,1090 5450,1091 8942,1092 16.414,1093 28.784,1094 36.828,1095 37.854,1096 38.742,1097 36.798,1098 36.862,1099 46.149,1100 3.44,1101 106.723,1102 35.017,1103 5.363,1104 5.277,1105 6.056,1106 5.126,1107 5.083,1108 7.092,1109 1.72,1110 17.073,1111 4.999,1112 12.252,1113 1.473,1114 1.514,1115 1.55,1116 1.472,1117 1.474,1118 1.846,1119 0.138,1120 4.269,1121 1.401,1122 4.024,1123 4.064,1124 3.964,1125 3.929,1126 5.282,1127 3.931,1128 3.894,1129 3.918,1130 3.851,1131 3.789,1132 4.978,1133 3.799,1134 3.551,1135 3.616,1136 3.448,1137 3.367,1138 4.929,1139 3.382,1140 3.28,1141 3.344,1142 3.126,1143 3.06,1144 4.496,1145 3.064,1146 3.247,1147 3.314,1148 3.051,1149 2.954,1150 4.465,1151 2.961,1152 3.162,1153 3.261,1154 3.016,1155 2.935,1156 4.317,1157 2.939,1158 3.043,1159 3.146,1160 2.847,1161 2.802,1162 3.992,1163 2.803,1164 2.839,1165 2.957,1166 2.609,1167 2.641,1168 3.731,1169 2.621,1170 0.177,1171 0.131,1172 0.26,1173 0.162,1174 0.123,1175 4.418,1176 0.164,1177 3.277,1178 0.034,1179 6.503,1180 0.407,1181 4.054,1182 0.12,1183 3.083,1184 4.092,1185 0.86,1186 10.179,1187 2.999,1188 1.978,1189 1.946,1190 2.112,1191 2.099,1192 1.469,1193 2.102,1194 1.856,1195 1.831,1196 1.956,1197 1.982,1198 1.116,1199 1.972,1200 1.493,1201 1.435,1202 1.652,1203 1.723,1204 0.789,1205 1.713,1206 1.24,1207 1.173,1208 1.576,1209 1.524,1210 0.741,1211 1.54,1212 1.191,1213 1.115,1214 1.565,1215 1.514,1216 0.574,1217 1.534,1218 1.141,1219 1.058,1220 1.474,1221 1.413,1222 0.568,1223 1.424,1224 1.004,1225 0.91,1226 1.3,1227 1.312,1228 0.371,1229 1.333,1230 0.826,1231 0.74,1232 1.195,1233 1.139,1234 0.152,1235 1.174,1236 3.932,1238 5.252,1240 6.779,1242 8.402,1244 10.073,1246 3.297,1250 11.686,1252 3.806,1254 10.66,1256 0.509,1262 27.256,1263 69.539,1264 154.265,1265 193.359,1266 211.624,1267 217.624,1268 219.624,1269 34.292,1270 7.043,1271 96.28,1272 96.28,1273 18,1274 12.316,1275 3.7,1276 2.807,1277 36.961,1278 81,1279 75,1280 0.229,1281 169.265,1282 289.52,1283 404.767,1284 9982,1286 16.397,1287 0.713,1288 0.587,1289 16.397,1290 13.503,1291 11.101,1292 0.444,1293 0.309,1294 7.587,1295 10.594,1296 7.348,1297 6.126,1298 11.101,1299 7.72,1300 9.908,1301 0.283,1302 0.168,1303 9.908,1304 5.895,1305 8.331,1306 0.181,1307 0.096,1308 8.331,1309 4.397,1310 7.132,1311 0.119,1312 0.054,1313 7.132,1314 3.245,1315 5.67,1316 0.076,1317 0.032,1318 5.67,1319 2.382,1320 0.358,1321 70.23,1322 0.247,1323 22.523,1324 0.628,1325 120,1326 339.386,1327 132.14,1328 325.49,1329 447.75,1330 306,1331 141,1332 331.415,1333 152.752,1334 338.511,1335 490.31,1336 315,1337 7.201}
{0 CHEMBL267617,1 1.779,2 11.68,3 3.11,4 9.674,5 100.71,6 9.407,7 0.63,8 3.807,9 3.926,10 3.552,11 3.399,12 5.041,13 3.388,14 4.271,15 4.415,16 3.958,17 3.789,18 5.538,19 3.749,20 4.523,21 4.688,22 4.122,23 3.922,24 5.761,25 3.855,26 4.547,27 4.756,28 3.832,29 3.801,30 5.739,31 3.712,32 4.484,33 4.713,34 3.655,35 3.65,36 5.658,37 3.566,38 4.359,39 4.583,40 3.606,41 3.513,42 5.62,43 3.426,44 4.212,45 4.457,46 3.509,47 3.415,48 5.347,49 3.322,50 4.022,51 4.204,52 3.44,53 3.379,54 5.362,55 3.291,56 0.114,57 0.609,58 5.331,59 2.949,60 15.753,61 3.413,62 0.255,63 0.921,64 10.457,65 5.415,66 26.347,67 6.707,68 0.415,69 1.081,70 21.994,71 7.077,72 48.992,73 8.116,74 0.407,75 1.072,76 21.935,77 7.705,78 52.402,79 9.564,80 0.432,81 0.977,82 22.37,83 6.944,84 55.861,85 8.501,86 0.537,87 0.836,88 20.269,89 6.11,90 66.383,91 7.29,92 0.387,93 0.704,94 19.068,95 5.888,96 50.214,97 7.637,98 0.32,99 0.616,100 13.731,101 4.676,102 45.221,103 5.907,104 26,105 38,106 0.313,107 0.669,108 0.789,109 0.883,110 0.901,111 0.901,112 3.266,113 0.911,114 -5.03,115 -4.93,116 -4.62,119 42.5,121 1,125 1,139 6,140 3,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 8,169 1,170 4,172 3,173 4,175 3,178 10,180 1,182 4,187 4,189 9,191 1,193 6,195 1,196 1,197 1,198 8,200 2,201 4,204 4,205 1,207 4,212 4,215 4,218 3,221 3,224 2,225 1,226 2,228 1,229 6,231 1,234 1,239 1,241 7,245 2,246 2,248 1,249 1,250 1,251 1,253 1,254 7,256 1,260 2,265 1,268 5,270 1,273 872,274 16.394,275 16.394,276 16.394,277 16.394,278 16.394,279 14.074,280 19.133,281 9.528,282 16.835,283 13.305,284 13.305,285 13.305,286 13.305,287 13.305,288 9.815,289 23.101,290 4.564,291 14.147,292 3.542,293 1.516,294 0.838,295 0.3,296 0.2,297 0.2,298 3.945,299 2,300 1,301 1,302 1,303 622,304 3.162,307 227.888,311 118.611,314 1.718,315 29.14,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 54.167,327 292,328 4.541,329 3.621,330 6.502,331 4.048,332 3.078,333 4.491,334 1.988,335 10.175,336 2.99,337 4.224,338 3.307,339 5.957,340 3.773,341 2.845,342 3.875,343 0.586,344 8.374,345 2.673,346 3.808,347 3.126,348 5.407,349 3.459,350 2.499,351 3.241,352 0.198,353 7.053,354 2.37,355 3.696,356 2.632,357 5.295,358 3.307,359 2.348,360 2.988,362 6.785,363 2.196,364 3.43,365 2.477,366 5.062,367 2.984,368 2.052,369 2.811,371 5.807,372 1.899,373 3.388,374 2.184,375 4.975,376 2.93,377 1.981,378 2.706,380 5.77,381 1.859,382 3.286,383 2.131,384 4.736,385 2.847,386 1.871,387 2.51,389 5.211,390 1.754,391 2.82,392 2.043,393 4.04,394 2.306,395 1.414,396 1.948,398 3.523,399 1.198,400 2.454,401 1.191,402 3.71,403 1.983,404 1.009,405 1.434,407 2.565,408 0.981,409 1.891,410 1.056,411 3.238,412 1.644,413 0.689,414 0.785,415 1.637,416 0.651,417 1.525,418 0.909,419 2.819,420 1.108,421 0.244,422 0.296,423 0.549,424 0.174,425 1.336,426 0.524,427 2.657,428 0.912,429 -0.014,430 -0.018,431 -0.035,432 -0.013,433 0.97,434 0.231,435 2.51,436 0.514,437 -0.357,438 -0.436,439 -0.909,440 -0.276,441 0.96,442 -0.079,443 2.377,444 0.48,445 -0.446,446 -0.577,448 -1.152,449 -0.409,450 0.647,451 -0.286,452 2.297,453 0.226,454 -0.742,455 -0.904,457 -1.925,458 -0.562,459 12.262,460 0.49,461 0.753,462 0.03,463 34.75,464 1.39,465 18.5,466 0.74,467 16.25,468 0.65,469 18.254,470 0.73,471 26.138,472 0.653,473 24.849,474 0.994,475 6.939,476 0.278,477 4.979,478 0.199,479 0.209,481 0.367,485 0.818,486 1.113,487 0.555,488 0.709,489 0.817,490 0.711,491 0.521,492 0.948,493 0.587,494 0.828,495 0.5,496 0.851,497 1.099,498 1.171,499 0.887,500 1,501 1.084,502 1.045,503 0.957,504 1.158,505 0.899,506 1.118,507 0.961,508 1.134,509 1.187,510 1.094,511 0.91,512 1.021,513 1.267,514 1.051,515 1.103,516 0.773,517 0.922,518 0.99,519 1.403,520 1.055,521 0.706,522 0.812,523 0.661,524 0.849,525 0.824,526 0.824,527 0.7,528 0.894,529 1.038,530 1.09,531 0.778,532 1.105,533 6.5,534 0.111,535 2.889,536 1.75,537 1.791,538 0.549,539 0.486,540 0.314,541 0.16,542 0.244,543 7675,544 28024,545 2.015,546 37.5,548 8,551 5,552 2,555 1.674,556 1.852,557 3.493,558 2.647,559 1,560 1,564 71.177,565 1.779,566 3.806,567 4.484,568 5.022,569 5.122,570 5.122,571 2.919,572 4.564,573 4.619,574 3.652,575 1095.59,576 7.951,577 13802.1,578 1,579 1,581 1,582 212.877,583 1.516,584 4.555,585 0.241,586 0.006,587 0.076,588 0.046,589 0.058,590 0.021,591 0.022,592 0.015,593 0.008,594 0.013,595 0.505,597 1,598 0.65,599 122.916,600 -0.164,601 0.072,602 -0.019,603 0.122,604 -0.184,605 0.098,606 0.182,607 0.154,608 0.067,609 0.061,610 0.132,611 0.031,612 -0.153,613 -0.145,614 -0.015,615 -0.062,616 -0.143,617 -0.131,618 -0.065,619 -0.192,620 -0.074,621 -0.167,622 -0.009,623 -0.152,624 -0.194,625 -0.137,626 -0.081,627 -0.077,628 -0.142,629 -0.065,630 0.026,631 0.181,632 -0.046,633 -0.039,634 -0.089,635 -0.08,636 0.192,637 0.07,638 0.223,639 0.162,640 0.152,641 0.253,642 0.23,643 0.071,644 -0.114,645 -0.108,646 0.22,647 -0.126,648 1.792,649 5.104,650 0.64,651 21.875,652 1.02,653 1.127,654 3.804,655 14.471,656 0.719,657 3.332,658 3.664,659 3.871,660 4.094,661 4.317,662 4.29,663 4.304,664 4.331,665 4.357,666 4.331,667 6.785,668 0.691,669 376.27,670 3.332,671 4.875,672 5.707,673 6.578,674 7.426,675 8.297,676 9.152,677 10.022,678 10.881,679 11.751,680 12.5,684 2,687 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,717 2,718 40,719 18,720 2,721 27,723 42,724 17,725 14,726 6,727 6,729 3,730 4,731 2,739 1,741 15,742 2,744 1,748 1,751 1,753 1,754 1,757 15,758 6,759 5,760 8,761 2,764 5,769 0.667,770 1,776 1,781 3,785 1,790 1,802 2,807 2,810 25,811 2,816 2,817 1,828 2,829 2.5,832 1,836 13.5,837 7.019,838 5.417,839 2.119,840 3.229,841 1.456,842 1.009,843 5.276,844 10.304,845 3.624,846 4.277,847 4.834,848 5.422,849 6.005,850 6.21,851 6.479,852 6.779,853 7.064,854 6.916,855 0.875,856 38,857 9.165,859 3.9,860 7.969,861 16.999,863 13.706,865 2.469,866 61.722,869 1,870 117.711,871 88.519,872 117.376,873 78.297,874 25.145,877 88.519,878 221.153,879 117.376,881 22.651,882 122.652,883 63.421,884 18.089,885 4.227,886 117.711,887 78.297,888 117.711,889 205.895,890 25.145,891 78.297,893 117.711,894 25.145,897 26.694,898 145.63,899 111.868,901 117.711,902 142.521,903 166.816,906 117.711,907 31.661,908 56.857,909 18.011,910 202.808,911 117.711,912 142.521,913 166.816,915 0.591,916 0.334,917 0.171,918 0.097,919 18,920 9,921 0.095,922 4,923 1,924 1.125,925 3.731,926 196.941,927 0.125,928 16,929 116.096,933 17.736,934 7.436,935 4.312,936 1.362,937 142.521,938 10.611,939 8.063,943 3.006,945 83.805,946 427.048,947 36.5,951 12.104,954 -0.125,956 40.785,957 45.08,958 0.334,959 0.715,960 0.843,961 0.944,962 0.962,963 0.962,964 4.854,965 1.414,966 5.707,967 5.211,968 4.344,969 4.963,970 2.142,971 6.488,972 4.233,973 6.09,974 1.009,975 7.255,976 3.523,977 4.007,978 4.902,979 1.593,980 7.298,981 3.805,982 7.41,983 0.689,984 8.894,985 2.565,986 5.922,987 7.225,988 3.114,989 10.354,990 5.73,991 8.76,992 0.244,993 10.582,994 1.637,995 6.312,996 7.914,997 3.168,998 11.938,999 6.034,1000 10.136,1001 -0.014,1002 12.302,1003 0.549,1004 7.747,1005 9.769,1006 4.318,1007 14.534,1008 7.48,1009 11.53,1010 -0.357,1011 14.045,1012 -0.035,1013 8.489,1014 10.839,1015 4.657,1016 16.492,1017 8.152,1018 12.94,1019 -0.446,1020 15.806,1021 -0.909,1022 9.726,1023 12.493,1024 5.607,1025 18.912,1026 9.388,1027 3.078,1028 -0.742,1029 17.581,1030 -1.152,1031 10.647,1032 13.768,1033 6.097,1034 21.056,1035 10.256,1036 2.845,1037 10.175,1038 19.368,1039 -1.925,1040 11.799,1041 15.329,1042 6.934,1043 23.406,1044 11.396,1045 2.499,1046 8.374,1047 21.166,1048 4.491,1049 12.811,1050 16.712,1051 7.508,1052 25.64,1053 12.367,1054 2.348,1055 7.053,1056 22.973,1057 3.875,1058 13.93,1059 18.231,1060 8.282,1061 27.965,1062 13.468,1063 2.052,1064 6.785,1065 24.788,1066 3.241,1067 14.988,1068 19.669,1069 8.903,1070 30.24,1071 14.492,1072 1.981,1073 5.807,1074 26.61,1075 2.988,1076 16.095,1077 21.172,1078 9.64,1079 32.557,1080 15.577,1081 1.871,1082 5.77,1083 28.439,1084 2.811,1085 17.177,1086 22.638,1087 10.289,1088 34.854,1089 16.629,1090 7459,1091 14384,1092 17.512,1093 28.767,1094 40.385,1095 42.261,1096 41.56,1097 40.245,1098 40.061,1099 54.167,1100 5.545,1101 114.897,1102 37.488,1103 5.436,1104 5.621,1105 5.86,1106 5.12,1107 5.078,1108 7.491,1109 3.499,1110 17.069,1111 4.99,1112 14.513,1113 1.496,1114 1.565,1115 1.539,1116 1.491,1117 1.484,1118 2.006,1119 0.205,1120 4.255,1121 1.388,1122 4.072,1123 4.107,1124 4.12,1125 3.984,1126 7.429,1127 3.992,1128 3.93,1129 3.948,1130 4.034,1131 3.885,1132 5.307,1133 3.875,1134 3.611,1135 3.668,1136 3.6,1137 3.408,1138 5.038,1139 3.433,1140 3.425,1141 3.472,1142 3.427,1143 3.248,1144 4.982,1145 3.264,1146 3.136,1147 3.237,1148 3.396,1149 2.954,1150 4.694,1151 2.955,1152 3.083,1153 3.164,1154 3.173,1155 2.85,1156 4.491,1157 2.868,1158 2.878,1159 2.922,1160 3.023,1161 2.791,1162 4.275,1163 2.765,1164 2.807,1165 2.853,1166 2.853,1167 2.633,1168 4.207,1169 2.643,1170 0.168,1171 0.134,1172 0.241,1173 0.15,1174 0.114,1175 4.541,1176 0.166,1177 3.621,1178 0.074,1179 6.502,1180 0.377,1181 4.048,1182 0.111,1183 3.078,1184 4.491,1185 1.988,1186 10.175,1187 2.99,1188 2.019,1189 1.993,1190 2.089,1191 2.129,1192 1.233,1193 2.117,1194 1.906,1195 1.889,1196 1.981,1197 1.979,1198 1.16,1199 1.99,1200 1.524,1201 1.471,1202 1.669,1203 1.76,1204 0.79,1205 1.741,1206 1.345,1207 1.303,1208 1.497,1209 1.568,1210 0.64,1211 1.553,1212 1.088,1213 1.022,1214 1.341,1215 1.386,1216 0.343,1217 1.371,1218 1.017,1219 0.926,1220 1.288,1221 1.292,1222 0.164,1223 1.317,1224 0.867,1225 0.824,1226 1.088,1227 1.017,1228 0.116,1229 1.057,1230 0.727,1231 0.684,1232 1.044,1233 0.976,1235 1.008,1236 4.007,1238 5.333,1240 6.843,1242 8.442,1244 10.09,1247 11.823,1250 11.446,1252 0.576,1253 2.856,1262 27.638,1263 71.177,1264 152.248,1265 179.367,1266 200.877,1267 204.877,1268 204.877,1269 46.32,1270 7.076,1271 106.92,1272 106.92,1273 18,1274 12.296,1275 4.248,1276 3.392,1277 42.129,1278 104,1279 90,1280 0.198,1281 179.947,1282 303.33,1283 430.831,1284 11396,1285 5,1286 17.974,1287 0.719,1288 0.584,1289 18.974,1290 14.603,1291 11.919,1292 0.441,1293 0.304,1294 7.421,1295 11.01,1296 7.196,1297 5.935,1298 12.496,1299 8.2,1300 11.209,1301 0.295,1302 0.167,1303 11.95,1304 6.335,1305 8.877,1306 0.189,1307 0.093,1308 9.792,1309 4.384,1310 7.114,1311 0.121,1312 0.047,1313 7.515,1314 2.747,1315 5.741,1316 0.078,1317 0.026,1318 6.11,1319 1.896,1320 0.32,1321 80.289,1322 0.239,1323 24.69,1324 0.52,1325 130,1326 404.39,1327 171.357,1328 459.73,1329 600.98,1330 424,1331 150,1332 392.376,1333 186.218,1334 419.983,1335 609.64,1336 394,1337 5.82}
{0 CHEMBL267928,1 1.361,2 10.167,3 3.85,4 14.82,5 100.366,6 7.81,7 0.815,8 3.798,9 3.921,10 3.414,11 3.443,12 4.989,13 3.418,14 4.237,15 4.376,16 3.772,17 3.829,18 5.415,19 3.781,20 4.482,21 4.666,22 3.814,23 3.956,24 5.544,25 3.885,26 4.506,27 4.709,28 3.703,29 3.889,30 5.605,31 3.789,32 4.489,33 4.733,34 3.461,35 3.756,36 5.511,37 3.634,38 4.335,39 4.597,40 3.299,41 3.607,42 5.252,43 3.474,44 4.163,45 4.391,46 3.322,47 3.527,48 5.164,49 3.425,50 4.132,51 4.361,52 3.291,53 3.473,54 5.157,55 3.383,56 0.047,57 0.581,58 7.197,59 3.125,60 9.849,61 4.009,62 0.134,63 0.903,64 11.642,65 5.466,66 16.489,67 7.25,68 0.104,69 1.123,70 16.572,71 6.941,72 15.63,73 9.301,74 0.119,75 1.141,76 17.588,77 7.589,78 24.904,79 10.388,80 0.182,81 1.128,82 19.022,83 6.958,84 34.142,85 9.505,86 0.121,87 0.92,88 17.087,89 6.782,90 23.428,91 9.53,92 0.07,93 0.783,94 13.318,95 5.564,96 17.232,97 7.727,98 0.103,99 0.785,100 12.904,101 4.917,102 18.697,103 6.73,104 5,105 38,106 0.235,107 0.501,108 0.667,109 0.819,110 0.869,111 0.895,112 3.229,113 0.855,114 -5.73,115 -5.6,116 -5.22,119 50,134 2,139 10,140 5,143 1,144 1,147 1,157 2,158 2,159 2,166 18,169 1,170 3,172 3,173 3,175 1,178 24,180 1,182 3,187 1,189 22,191 1,193 5,195 1,196 1,197 1,198 5,200 2,201 16,204 5,205 1,207 3,212 4,215 14,218 4,221 2,226 3,229 12,231 3,234 4,239 3,241 11,243 3,246 4,251 3,254 9,256 3,260 4,265 4,268 6,270 4,273 738,274 16.447,275 16.447,276 16.447,277 16.447,278 16.447,279 13.718,280 6.325,281 9.705,282 16.625,283 13.359,284 13.359,285 13.359,286 13.359,287 13.359,288 9.271,289 7.5,290 4.622,291 13.658,292 3.961,293 2.425,294 1.468,295 0.588,296 0.3,297 0.15,298 3.932,300 1,301 1,302 1,303 542,304 2.449,307 225.434,311 192.001,314 1.347,315 13.616,317 1,318 0.75,319 0.83,320 1,321 0.6,323 1,324 1,325 0.74,326 50,327 244,328 4.621,329 3.192,330 6.767,331 4.142,332 3.166,333 4.582,335 11.061,336 3.096,337 4.409,338 2.922,339 6.183,340 3.922,341 2.922,342 4.34,344 9.226,345 2.921,346 3.808,347 2.441,348 5.371,349 3.362,350 2.394,351 3.282,353 6.908,354 2.334,355 3.64,356 2.263,357 5.227,358 3.206,359 2.237,360 3.08,362 6.549,363 2.15,364 3.45,365 2.078,366 5.06,367 2.961,368 2.01,369 2.863,371 5.821,372 1.911,373 3.178,374 1.852,375 4.775,376 2.747,377 1.788,378 2.427,380 5.049,381 1.707,382 3.118,383 1.618,384 4.414,385 2.618,386 1.618,387 2.416,389 4.365,390 1.618,391 2.91,392 1.414,393 3.681,394 2.413,395 1.414,396 2.104,398 3.021,399 1.413,400 2.711,401 1.243,402 3.622,403 2.208,404 1.225,405 1.782,407 2.772,408 1.202,409 2.384,410 0.797,411 3.316,412 1.786,413 0.789,414 1.199,415 1.845,416 0.786,417 2.135,418 0.581,419 3.136,420 1.567,421 0.571,422 0.883,423 1.372,424 0.569,425 1.285,426 -0.004,427 2.729,428 0.836,429 -0.104,430 -0.137,431 -0.272,432 -0.097,433 1.16,434 -0.214,435 2.654,436 0.766,437 -0.221,438 -0.294,439 -0.579,440 -0.218,441 1,442 -0.326,443 2.398,444 0.482,445 -0.466,446 -0.605,448 -1.164,449 -0.437,450 0.882,451 -0.593,452 2.273,453 0.382,454 -0.618,455 -0.917,457 -1.517,458 -0.618,459 11.6,460 0.483,461 0.554,462 0.023,463 37.5,464 1.563,465 22.5,466 0.938,467 15,468 0.625,469 13.969,470 0.582,471 23.2,472 0.58,473 25.742,474 1.073,475 7.51,476 0.313,477 4.194,478 0.175,479 0.069,481 0.345,485 1.129,486 0.909,487 0.783,488 0.748,489 1.33,490 0.733,491 0.366,492 0.844,493 0.783,494 0.941,495 0.437,496 0.912,497 1.015,498 1.014,499 0.97,500 0.981,501 0.876,502 0.973,503 0.647,504 1.192,505 1.034,506 1.236,507 0.631,508 1.188,509 1.445,510 0.956,511 1.238,512 1.022,513 1.447,514 1.091,515 0.834,516 0.837,517 0.935,518 0.912,519 0.89,520 0.93,521 0.711,522 1.011,523 0.874,524 0.998,525 0.73,526 0.962,527 1.202,528 0.977,529 1.008,530 0.933,531 1.149,532 0.947,533 4.5,534 0.074,535 2.444,536 1.75,537 1.493,538 0.5,539 0.365,540 0.229,541 0.23,542 0.174,543 6847,544 17024,545 2.161,546 40,548 12,551 4,555 1.666,556 2.057,557 3.296,558 1.695,560 1,564 54.439,565 1.361,566 2.897,567 3.854,568 4.734,569 5.022,570 5.172,571 2.674,572 4.085,573 4.562,574 3.433,575 947.404,576 7.855,577 11099.1,579 1,581 1,582 212.877,583 1.281,584 4.532,585 0.167,586 0.005,587 0.064,588 0.045,589 0.045,590 0.02,591 0.017,592 0.01,593 0.01,594 0.009,595 0.392,596 0.17,597 0.88,598 0.49,599 114.061,600 -0.181,601 0.148,602 0.011,603 0.143,604 -0.343,605 0.106,606 0.431,607 0.16,608 0.038,609 -0.013,610 0.26,611 -0.025,612 -0.12,613 -0.024,614 -0.073,615 -0.032,616 -0.109,617 -0.044,618 0.189,619 -0.241,620 -0.102,621 -0.264,622 0.241,623 -0.223,624 -0.294,625 0.047,626 -0.229,627 -0.059,628 -0.282,629 -0.122,630 -0.011,631 0.075,632 0.101,633 0.12,634 -0.009,635 0.122,636 0.064,637 -0.088,638 0.104,639 0.011,640 0.105,641 0.052,642 -0.137,643 0.016,644 -0.022,645 0.033,646 -0.148,647 0.02,648 1.476,649 2.036,650 0.833,651 17.313,652 0.993,653 1.112,654 4.503,655 20.275,656 0.715,657 3.332,658 3.664,659 3.951,660 4.248,661 4.477,662 4.489,663 4.533,664 4.644,665 4.779,666 4.745,667 5.928,668 0.681,669 312.4,670 3.332,671 4.875,672 5.733,673 6.619,674 7.489,675 8.378,676 9.253,677 10.142,678 11.018,679 11.908,680 10,684 2,690 2,694 4,695 10,696 2,700 4,702 22,711 2,718 40,719 23,720 3,721 27,723 43,724 20,725 18,726 6,727 10,728 2,729 4,730 6,741 20,744 1,749 2,754 1,757 16,758 4,759 4,760 4,764 4,769 0.5,776 1,781 4,785 2,795 2,802 2,810 24,811 2,836 11.667,837 7.067,838 5.194,839 2.228,840 5.236,841 1.698,842 1.072,843 3.544,844 12.742,845 3.689,846 4.382,847 5.069,848 5.737,849 6.362,850 6.689,851 7.11,852 7.557,853 8.047,854 8.263,855 0.857,856 39,857 8.786,859 3.75,860 7.639,861 16.837,863 13.941,865 2.139,866 51.333,869 1,870 141.253,871 134.176,872 99.365,877 134.176,878 141.253,879 99.365,882 179.509,883 33.571,884 16.234,885 4.227,886 141.253,888 141.253,889 233.542,893 141.253,897 4.043,898 176.975,899 52.524,901 141.253,902 99.365,903 134.176,906 141.253,907 20.461,908 113.715,910 99.365,911 141.253,912 99.365,913 134.176,915 0.583,916 0.344,917 0.198,918 0.107,919 20,920 8,921 0.047,922 2,923 2,924 1.2,925 3.684,926 199.934,927 0.2,928 20,929 110.039,933 14.522,934 5.856,935 2.799,936 4.019,937 99.365,938 20.509,939 8.315,943 2.686,945 65.794,946 374.795,947 39,952 4.097,956 39.709,957 44.484,958 0.256,959 0.544,960 0.724,961 0.89,962 0.944,963 0.972,964 4.902,965 1.414,966 5.714,967 4.365,968 4.344,969 5.069,971 6.526,972 4.303,973 6.143,974 1.225,975 7.268,976 3.021,977 3.892,978 4.913,980 7.416,981 3.821,982 7.464,983 0.789,984 8.921,985 2.772,986 5.932,987 7.409,989 10.537,990 5.857,991 8.825,992 0.571,993 10.636,994 1.845,995 6.293,996 8.101,998 12.29,999 6.196,1000 10.218,1001 -0.104,1002 12.391,1003 1.372,1004 7.803,1005 10.04,1007 14.927,1008 7.7,1009 11.634,1010 -0.221,1011 14.175,1012 -0.272,1013 8.566,1014 11.156,1016 17.051,1017 8.446,1018 13.07,1019 -0.466,1020 15.981,1021 -0.579,1022 9.85,1023 12.85,1025 19.522,1026 9.72,1027 3.166,1028 -0.618,1029 17.805,1030 -1.164,1031 10.811,1032 14.175,1034 21.802,1035 10.663,1036 2.922,1037 11.061,1038 19.642,1039 -1.517,1040 12,1041 15.761,1043 24.217,1044 11.841,1045 2.394,1046 9.226,1047 21.491,1048 4.582,1049 13.054,1050 17.184,1052 26.563,1053 12.876,1054 2.237,1055 6.908,1056 23.35,1057 4.34,1058 14.207,1059 18.723,1061 28.961,1062 14.013,1063 2.01,1064 6.549,1065 25.216,1066 3.282,1067 15.304,1068 20.192,1070 31.334,1071 15.091,1072 1.788,1073 5.821,1074 27.088,1075 3.08,1076 16.444,1077 21.712,1079 33.729,1080 16.212,1081 1.618,1082 5.049,1083 28.966,1084 2.863,1085 17.562,1086 23.201,1088 36.115,1089 17.31,1090 6380,1091 10177,1092 18.493,1093 28.591,1094 40.949,1095 40.153,1096 41.176,1097 40.354,1098 40.268,1099 57.918,1101 115.977,1102 39.413,1103 5.227,1104 5.192,1105 6.454,1106 5.214,1107 5.166,1108 7.582,1110 17.969,1111 5.096,1112 8.716,1113 1.517,1114 1.487,1115 1.525,1116 1.495,1117 1.491,1118 2.145,1120 4.295,1121 1.46,1122 4.115,1123 4.141,1124 4.077,1125 4.069,1126 5.307,1127 4.066,1128 4.036,1129 4.064,1130 4,1131 3.968,1132 4.983,1133 3.974,1134 3.584,1135 3.629,1136 3.512,1137 3.501,1138 4.911,1139 3.496,1140 3.445,1141 3.506,1142 3.365,1143 3.271,1144 4.711,1145 3.292,1146 3.225,1147 3.284,1148 3.121,1149 3.127,1150 4.413,1151 3.117,1152 3.084,1153 3.186,1154 2.962,1155 2.945,1156 4.183,1157 2.936,1158 3.004,1159 3.066,1160 2.872,1161 2.785,1162 4.029,1163 2.804,1164 2.774,1165 2.866,1166 2.642,1167 2.593,1168 3.835,1169 2.596,1170 0.171,1171 0.118,1172 0.251,1173 0.153,1174 0.117,1175 4.621,1176 0.17,1177 3.192,1179 6.767,1180 0.41,1181 4.142,1182 0.115,1183 3.166,1184 4.582,1186 11.061,1187 3.096,1188 2.087,1189 2.069,1190 2.169,1191 2.148,1192 1.299,1193 2.153,1194 2.013,1195 1.99,1196 2.077,1197 2.104,1198 1.2,1199 2.099,1200 1.58,1201 1.545,1202 1.725,1203 1.702,1204 0.786,1205 1.708,1206 1.389,1207 1.328,1208 1.537,1209 1.594,1210 0.496,1211 1.595,1212 1.232,1213 1.185,1214 1.438,1215 1.4,1216 0.425,1217 1.405,1218 1.055,1219 1.005,1220 1.282,1221 1.327,1222 0.343,1223 1.336,1224 0.964,1225 0.87,1226 1.249,1227 1.173,1228 0.104,1229 1.207,1230 0.747,1231 0.673,1232 1.026,1233 1.014,1234 0.009,1235 1.025,1236 4.007,1238 5.333,1240 6.868,1242 8.504,1244 10.191,1250 11.709,1262 27.246,1263 54.439,1264 115.883,1265 154.148,1266 189.367,1267 200.877,1268 206.877,1269 26.934,1270 7.506,1271 77.82,1272 77.82,1273 24,1274 12.44,1275 4.585,1276 3.7,1277 33.979,1278 87,1279 76,1280 0.193,1281 168.019,1282 276.48,1283 401.728,1284 19743,1286 16.518,1287 0.688,1288 0.541,1289 16.518,1290 12.977,1291 11.704,1292 0.433,1293 0.285,1294 7.643,1295 11.502,1296 7.465,1297 6.215,1298 11.704,1299 7.692,1300 10.643,1301 0.28,1302 0.149,1303 10.643,1304 5.648,1305 8.969,1306 0.176,1307 0.079,1308 8.969,1309 4.03,1310 8.04,1311 0.117,1312 0.042,1313 8.04,1314 2.894,1315 6.481,1316 0.074,1317 0.023,1318 6.481,1319 1.971,1320 0.303,1321 71.615,1322 0.233,1323 23.409,1324 0.528,1325 130,1326 313.915,1327 136.383,1328 324.05,1329 461.46,1330 304,1331 154,1332 358.324,1333 159.662,1334 371.12,1335 541.82,1336 351,1337 5.28}
{0 CHEMBL268089,1 1.869,2 9.478,3 4.016,4 16.127,5 87.119,6 9.893,7 0.68,8 3.675,9 3.782,10 3.499,11 3.282,12 4.989,13 3.277,14 4.155,15 4.276,16 4,17 3.665,18 6.017,19 3.642,20 4.303,21 4.449,22 3.952,23 3.775,24 5.666,25 3.715,26 4.352,27 4.531,28 3.866,29 3.671,30 5.785,31 3.614,32 4.258,33 4.44,34 3.888,35 3.532,36 5.661,37 3.486,38 4.129,39 4.36,40 3.332,41 3.389,42 5.289,43 3.293,44 3.966,45 4.167,46 3.44,47 3.219,48 5.359,49 3.209,50 3.965,51 4.168,52 3.309,53 3.041,54 5.492,55 3.085,56 0.187,57 0.771,58 3.776,59 2.954,60 36.708,61 2.619,62 0.774,63 1.537,64 8.17,65 5.499,66 134.972,67 5.052,68 0.397,69 1.341,70 14.561,71 6.905,72 47.277,73 6.252,74 0.64,75 1.371,76 15.562,77 7.187,78 101.313,79 6.387,80 0.518,81 1.288,82 17.532,83 6.38,84 76.989,85 5.527,86 0.476,87 0.902,88 15.811,89 5.973,90 75.989,91 6.711,92 0.332,93 0.904,94 9.894,95 4.479,96 44.536,97 5.3,98 0.55,99 0.955,100 11.974,101 4.229,102 85.715,103 3.337,104 27,105 37,106 0.341,107 0.617,108 0.734,109 0.871,110 0.882,111 0.882,112 3.188,113 0.879,114 -5.67,115 -5.54,116 -5.17,119 44.1,131 1,139 7,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 3,172 3,173 3,175 1,178 10,180 1,182 3,187 1,189 8,191 1,193 1,195 1,196 1,197 1,198 3,200 2,201 5,204 3,205 1,207 3,212 4,215 8,218 4,229 6,234 4,239 3,241 2,243 3,246 4,251 2,256 2,260 2,265 3,270 3,273 664,274 14.798,275 14.798,276 14.798,277 14.798,278 14.798,279 12.776,280 14.273,281 8.467,282 15.415,283 12.362,284 12.362,285 12.362,286 12.362,287 12.362,288 9.308,289 14.733,290 4.058,291 13.488,292 3.218,293 1.708,294 1.071,295 0.316,296 0.257,297 0.257,298 3.863,300 1,301 1,302 1,303 461,304 3.24,307 188.217,311 98.076,314 1.501,315 39.076,317 1,318 0.75,319 1,320 1,321 0.4,323 1,324 1,325 0.74,326 52.5,327 218,328 4.543,329 4.562,330 7.116,331 4.179,332 3.32,333 4.492,334 3.825,335 11.69,336 2.971,337 4.452,338 4.452,339 6.503,340 4.043,341 3.081,342 3.869,343 2.95,344 10.179,345 2.879,346 3.897,347 3.195,348 5.572,349 3.475,350 2.593,351 3.285,353 7.673,354 2.255,355 3.643,356 2.965,357 5.126,358 3.175,359 2.244,360 3.025,362 6.347,363 2.066,364 3.427,365 2.22,366 5.06,367 2.958,368 2.023,369 2.811,371 5.798,372 1.89,373 3.339,374 2.075,375 4.938,376 2.861,377 1.93,378 2.655,380 5.672,381 1.779,382 2.885,383 2.036,384 4.469,385 2.433,386 1.507,387 2.017,389 4.329,390 1.365,391 2.57,392 1.231,393 3.709,394 2.092,395 1.113,396 1.601,398 2.565,399 1.077,400 2.452,401 1.061,402 3.492,403 1.98,404 1.006,405 1.431,407 2.543,408 0.978,409 1.575,410 0.884,411 3.026,412 1.143,413 0.249,414 0.317,415 0.649,416 0.218,417 1.101,418 0.51,419 2.733,420 0.663,421 -0.239,422 -0.308,423 -0.64,424 -0.212,425 0.957,426 0.51,427 2.674,428 0.473,429 -0.452,430 -0.582,431 -1.164,432 -0.416,433 0.678,434 0.443,435 2.516,436 0.25,437 -0.714,438 -0.929,439 -1.835,440 -0.673,441 0.598,442 -0.147,443 2.27,444 0.151,445 -0.815,446 -1,448 -2.204,449 -0.7,450 0.477,451 -0.306,452 2,453 0.114,454 -0.837,455 -1,457 -2.46,458 -0.7,459 10.79,460 0.469,461 0.846,462 0.037,463 32.25,464 1.402,465 17.5,466 0.761,467 14.75,468 0.641,469 15.495,470 0.674,471 24.61,472 0.724,473 24.262,474 1.055,475 6.442,476 0.28,477 4.384,478 0.191,479 0.154,480 0.046,481 0.324,482 3,485 0.65,486 0.818,487 0.657,488 0.72,489 0.714,490 0.69,491 0.331,492 0.602,493 0.656,494 0.798,495 0.333,496 0.822,497 0.675,498 0.944,499 1.273,500 1.251,501 0.549,502 1.092,503 1.098,504 1.028,505 1.25,506 1.102,507 1.064,508 1.122,509 0.895,510 1.106,511 1.132,512 1.394,513 0.941,514 1.197,515 0.706,516 0.73,517 1.016,518 0.944,519 0.716,520 1.045,521 0.685,522 1.084,523 0.534,524 1,525 0.632,526 0.985,527 1.707,528 1.362,529 1.32,530 1.051,531 1.649,532 1.03,533 7,534 0.087,535 2.667,536 1.938,537 1.578,538 0.597,539 0.587,540 0.271,541 0.272,542 0.275,543 5465,544 22549,545 2.006,546 32.4,548 7,551 4,555 1.655,556 1.828,557 3.224,558 1.908,560 1,564 63.562,565 1.869,566 3.38,567 4.017,568 4.771,569 4.83,570 4.83,571 2.703,572 4.23,573 4.499,574 3.38,575 855.215,576 7.733,577 9681.9,579 1,580 1,581 1,582 172.974,583 1.72,584 4.418,585 0.28,586 0.007,587 0.072,588 0.054,589 0.051,590 0.023,591 0.029,592 0.012,593 0.014,594 0.017,595 0.56,596 0.17,597 0.88,598 0.872,599 107.486,600 -0.104,601 0.038,602 -0.006,603 0.157,604 -0.18,605 0.131,606 0.523,607 0.423,608 0.172,609 0.185,610 0.512,611 0.043,612 -0.082,613 -0.119,614 -0.198,615 -0.139,616 0.009,617 -0.122,618 -0.174,619 -0.055,620 -0.195,621 -0.044,622 -0.136,623 -0.141,624 -0.071,625 -0.21,626 0.049,627 -0.279,628 -0.126,629 -0.184,630 -0.023,631 -0.008,633 0.033,634 -0.046,635 0.097,636 0.061,637 -0.306,638 0.293,639 -0.139,640 0.105,641 0.075,642 -0.401,643 -0.211,644 -0.359,645 -0.123,646 -0.334,647 -0.119,648 5.615,649 4.752,650 0.696,651 17.342,652 1.042,653 1.147,654 4.443,655 19.736,656 0.714,657 3.258,658 3.638,659 3.829,660 4.078,661 4.317,662 4.317,663 4.443,664 4.454,665 4.625,666 4.625,667 5.724,668 0.708,669 336.37,670 3.258,671 4.828,672 5.666,673 6.564,674 7.421,675 8.315,676 9.18,677 10.07,678 10.94,679 11.827,680 11.8,684 2,690 2,694 2,695 7,696 2,700 5,702 17,711 2,718 34,719 17,720 2,721 25,723 36,724 15,725 14,726 5,727 7,729 3,730 4,734 1,738 1,741 14,742 1,754 1,755 3,757 11,758 7,759 4,760 8,761 1,764 4,769 0.667,776 1,781 3,785 1,802 2,803 1,804 1,808 3,810 23,811 2,819 1,822 1,828 3,836 12.583,837 5.995,838 4.806,839 1.745,840 3.399,841 1.483,842 1.034,843 3.986,844 10.439,845 3.541,846 4.22,847 4.802,848 5.421,849 6.02,850 6.271,851 6.673,852 7.032,853 7.502,854 7.668,855 1,856 36,857 8.843,859 4.224,860 8.402,861 15.22,863 12.431,865 2.902,866 66.75,870 82.398,871 121.544,872 99.365,875 44.88,876 32.22,877 89.324,878 82.398,879 144.246,882 132.128,883 33.571,884 55.884,885 4.227,886 114.617,887 7.76,888 82.398,889 188.69,890 44.88,891 32.22,893 82.398,894 44.88,897 11.803,898 143.316,899 33.571,900 32.22,901 127.278,902 99.365,903 121.544,906 90.157,907 47.451,908 66.334,910 144.246,911 82.398,912 144.246,913 121.544,915 0.603,916 0.33,917 0.171,918 0.097,919 19,920 9,921 0.056,922 2,923 1,924 1.125,925 3.431,926 183.59,927 0.125,928 16,929 99.287,930 1,933 15.754,934 5.819,935 3.453,936 1.194,937 144.246,938 10.335,939 7.942,943 0.845,945 65.794,946 348.187,947 33.5,956 35.44,957 39.008,958 0.367,959 0.664,960 0.79,961 0.938,962 0.949,963 0.949,964 4.798,965 1.113,966 5.72,967 4.329,968 4.317,969 4.905,970 3.644,971 6.575,972 4.153,973 6.062,974 1.006,975 7.319,976 2.565,977 4.205,978 4.89,979 3.903,980 7.751,981 3.848,982 7.407,983 0.249,984 9.026,985 2.543,986 6.019,987 7.193,988 5.933,989 10.739,990 5.678,991 8.783,992 -0.239,993 10.797,994 0.649,995 6.635,996 7.903,997 6.69,998 12.687,999 6.097,1000 10.186,1001 -0.452,1002 12.609,1003 -0.64,1004 8.031,1005 9.758,1006 8.407,1007 15.288,1008 7.491,1009 11.607,1010 -0.714,1011 14.452,1012 -1.164,1013 8.964,1014 10.837,1015 9.388,1016 17.537,1017 8.254,1018 13.044,1019 -0.815,1020 16.317,1021 -1.835,1022 10.212,1023 12.492,1024 10.957,1025 20.021,1026 9.465,1027 3.32,1028 -0.837,1029 18.199,1030 -2.204,1031 11.283,1032 13.77,1033 12.074,1034 22.386,1035 10.394,1036 3.081,1037 11.69,1038 20.094,1039 -2.46,1040 12.48,1041 15.331,1042 13.555,1043 24.836,1044 11.527,1045 2.593,1046 10.179,1047 22.001,1048 4.492,1049 13.611,1050 16.714,1051 14.758,1052 27.247,1053 12.534,1054 2.244,1055 7.673,1056 23.917,1057 3.869,1058 14.793,1059 18.234,1060 16.184,1061 29.689,1062 13.634,1063 2.023,1064 6.347,1065 25.839,1066 3.285,1067 15.951,1068 19.672,1069 17.441,1070 32.118,1071 14.678,1072 1.93,1073 5.798,1074 27.767,1075 3.025,1076 17.129,1077 21.174,1078 18.834,1079 34.561,1080 15.764,1081 1.507,1082 5.672,1083 29.7,1084 2.811,1085 18.301,1086 22.64,1087 20.124,1088 37,1089 16.825,1090 5387,1091 11092,1092 16.008,1093 24.29,1094 38.763,1095 39.969,1096 38.823,1097 38.358,1098 38.13,1099 51.004,1100 13.551,1101 114.887,1102 34.952,1103 5.314,1104 6.562,1105 6.662,1106 5.302,1107 5.32,1108 7.492,1109 6.775,1110 18.669,1111 4.971,1112 13.472,1113 1.551,1114 1.599,1115 1.553,1116 1.534,1117 1.525,1118 2.04,1119 0.542,1120 4.595,1121 1.398,1122 4.064,1123 4.094,1124 4.137,1125 4.005,1126 8.513,1127 3.994,1128 3.909,1129 3.933,1130 3.917,1131 3.842,1132 7.999,1133 3.838,1134 3.465,1135 3.522,1136 3.609,1137 3.322,1138 7.999,1139 3.316,1140 3.307,1141 3.352,1142 3.309,1143 3.038,1144 5.307,1145 3.072,1146 3.131,1147 3.237,1148 3.084,1149 2.921,1150 4.982,1151 2.927,1152 2.923,1153 2.972,1154 3.012,1155 2.829,1156 4.722,1157 2.798,1158 2.742,1159 2.824,1160 2.595,1161 2.56,1162 4.637,1163 2.561,1164 2.67,1165 2.781,1166 2.486,1167 2.386,1168 4.144,1169 2.401,1170 0.182,1171 0.182,1172 0.285,1173 0.167,1174 0.133,1175 4.543,1176 0.18,1177 4.562,1178 0.153,1179 7.116,1180 0.468,1181 4.179,1182 0.119,1183 3.32,1184 4.492,1185 3.825,1186 11.69,1187 2.971,1188 2.009,1189 1.988,1190 2.051,1191 2.109,1192 1.192,1193 2.098,1194 1.882,1195 1.861,1196 1.967,1197 1.969,1198 1.082,1199 1.972,1200 1.38,1201 1.33,1202 1.497,1203 1.597,1204 0.439,1205 1.586,1206 1.099,1207 1.067,1208 1.295,1209 1.424,1210 0.279,1211 1.371,1212 1.052,1213 0.979,1214 1.205,1215 1.386,1216 0.248,1217 1.332,1218 0.905,1219 0.857,1220 1.089,1221 1.051,1222 0.136,1223 1.096,1224 0.729,1225 0.644,1226 1.043,1227 0.969,1229 1.005,1230 0.619,1231 0.51,1232 0.93,1233 0.938,1235 0.949,1236 3.932,1238 5.293,1240 6.838,1242 8.468,1244 10.141,1248 38.255,1250 11.341,1255 1.203,1258 -4.365,1262 24.057,1263 63.562,1264 114.916,1265 136.567,1266 162.219,1267 164.219,1268 164.219,1269 45.414,1270 7.04,1271 77.82,1272 103.12,1273 18,1274 12.361,1275 4.17,1276 3.248,1277 36.945,1278 80,1279 70,1280 0.231,1281 150.959,1282 257.88,1283 360.1,1284 10034,1285 8.8,1286 16.613,1287 0.722,1288 0.541,1289 14.466,1290 12.449,1291 10.826,1292 0.433,1293 0.293,1294 6.453,1295 9.841,1296 6.3,1297 5.172,1298 10.022,1299 7.323,1300 10.988,1301 0.297,1302 0.16,1303 9.726,1304 5.921,1305 8.041,1306 0.179,1307 0.091,1308 7.783,1309 4.09,1310 6.748,1311 0.116,1312 0.052,1313 7.05,1314 3.003,1315 5.536,1316 0.075,1317 0.03,1318 5.721,1319 2.184,1320 0.361,1321 72.679,1322 0.25,1323 22.449,1324 0.639,1325 124,1326 549.108,1327 173.023,1328 479.288,1329 627.03,1330 442,1331 144,1332 429.067,1333 180.182,1334 433.71,1335 652.51,1336 407,1337 7.44}
{0 CHEMBL268310,1 1.725,2 10.739,3 2.439,4 5.949,5 91.07,6 8.859,7 0.68,8 3.733,9 3.858,10 3.43,11 3.307,12 4.983,13 3.305,14 4.177,15 4.319,16 3.816,17 3.682,18 5.466,19 3.653,20 4.426,21 4.601,22 3.825,23 3.782,24 5.641,25 3.734,26 4.427,27 4.637,28 3.683,29 3.673,30 5.652,31 3.604,32 4.369,33 4.592,34 3.531,35 3.516,36 5.628,37 3.457,38 4.245,39 4.486,40 3.346,41 3.399,42 5.385,43 3.317,44 4.026,45 4.234,46 3.458,47 3.303,48 5.423,49 3.237,50 3.939,51 4.143,52 3.165,53 3.251,54 5.084,55 3.169,56 0.094,57 0.581,58 5.613,59 2.706,60 14.02,61 3.186,62 0.206,63 0.872,64 9.868,65 4.935,66 22.572,67 6.184,68 0.321,69 1.026,70 16.988,71 5.925,72 40.641,73 7.004,74 0.282,75 0.993,76 18.39,77 6.575,78 36.333,79 8.503,80 0.396,81 0.911,82 16.486,83 5.647,84 54.015,85 6.949,86 0.354,87 0.752,88 18.449,89 5.382,90 50.775,91 6.76,92 0.369,93 0.621,94 13.104,95 4.634,96 51.012,97 6.239,98 0.221,99 0.597,100 11.142,101 3.805,102 30.946,103 4.649,104 17,105 35,106 0.308,107 0.656,108 0.768,109 0.863,110 0.863,111 0.863,112 3.188,113 0.871,114 -4.56,115 -4.49,116 -4.22,119 43.2,121 1,139 7,140 2,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 7,169 1,170 4,172 3,173 4,175 4,178 10,180 1,182 4,187 4,189 8,191 1,193 5,195 1,196 1,197 1,198 5,200 2,201 3,204 3,205 1,207 5,210 2,211 1,212 5,214 1,215 5,218 3,229 6,233 2,234 3,236 1,237 1,238 1,239 2,240 1,241 8,243 1,246 2,251 1,254 4,256 1,260 4,262 1,263 1,265 3,268 2,270 3,273 705,274 15.187,275 15.187,276 15.187,277 15.187,278 15.187,279 12.92,280 18.342,281 8.909,282 15.531,283 12.354,284 12.354,285 12.354,286 12.354,287 12.354,288 8.971,289 22.869,290 4.298,291 12.97,292 3.484,293 1.538,294 0.909,295 0.378,296 0.378,297 0.378,298 3.867,299 1,300 1,301 1,302 1,303 529,304 2.915,307 199.992,311 103.839,314 1.599,315 25.127,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49.833,327 247,328 4.542,329 3.629,330 6.503,331 4.049,332 3.081,333 4.491,334 1.987,335 10.178,336 2.986,337 4.051,338 3.11,339 5.577,340 3.681,341 2.696,342 3.63,343 0.324,344 7.655,345 2.656,346 3.838,347 2.944,348 5.353,349 3.427,350 2.478,351 3.275,353 7.004,354 2.349,355 3.582,356 2.519,357 5.064,358 3.143,359 2.207,360 2.897,362 5.991,363 2.048,364 3.427,365 2.427,366 5.015,367 2.966,368 2.038,369 2.811,371 5.797,372 1.891,373 3.371,374 2.152,375 4.928,376 2.911,377 1.972,378 2.681,380 5.721,381 1.815,382 3.176,383 2.013,384 4.556,385 2.711,386 1.724,387 2.37,389 4.741,390 1.631,391 2.5,392 1.058,393 3.709,394 2,395 1.007,396 1.5,398 2.565,399 1,400 2.452,401 1,402 3.414,403 1.981,404 1,405 1.431,407 2.275,408 0.978,409 1.56,410 0.907,411 3.03,412 1.21,413 0.274,414 0.33,415 0.704,416 0.249,417 1.401,418 0.598,419 2.712,420 1,421 0.061,422 0.077,423 0.141,424 0.051,425 1.011,426 0.228,427 2.549,428 0.558,429 -0.378,430 -0.478,431 -1.015,432 -0.332,433 0.889,434 -0.086,435 2.402,436 0.451,437 -0.481,438 -0.599,439 -1.236,440 -0.428,441 0.693,442 -0.3,443 2.095,444 0.26,445 -0.683,446 -0.885,448 -1.629,449 -0.578,450 0.537,451 -0.637,452 2,453 0.148,454 -0.815,455 -1.1,457 -2.213,458 -0.785,459 11.048,460 0.48,461 0.664,462 0.029,463 34,464 1.478,465 19,466 0.826,467 15,468 0.652,469 14.436,470 0.628,471 23.752,472 0.642,473 23.744,474 1.032,475 6.791,476 0.295,477 4.217,478 0.183,479 0.167,481 0.362,485 0.873,486 1.097,487 0.611,488 0.744,489 0.851,490 0.721,491 0.453,492 1.02,493 0.615,494 0.951,495 0.476,496 0.92,497 1.295,498 1.131,499 1.1,500 1.029,501 1.183,502 1.053,503 0.868,504 1.194,505 0.928,506 1.206,507 0.808,508 1.146,509 1.297,510 0.931,511 0.821,512 0.943,513 1.578,514 1.029,515 1.392,516 0.809,517 1.066,518 0.866,519 1.502,520 0.913,521 0.239,522 0.816,523 0.593,524 0.982,525 0.483,526 0.924,527 1.244,528 0.869,529 1.09,530 0.944,531 1.296,532 1.059,533 6,534 0.087,535 2.222,536 1.688,537 1.52,538 0.521,539 0.546,540 0.146,541 0.283,542 0.128,543 5937,544 20074,545 2.041,546 37.8,548 7,551 5,552 2,555 1.652,556 1.89,557 3.379,558 2.718,559 1,560 1,562 1,564 63.837,565 1.725,566 3.671,567 4.3,568 4.831,569 4.831,570 4.831,571 2.856,572 4.263,573 4.496,574 3.511,575 888.386,576 7.715,577 10261.6,578 1,579 1,581 1,582 192.75,583 1.478,584 4.443,585 0.24,586 0.007,587 0.063,588 0.05,589 0.052,590 0.022,591 0.027,592 0.007,593 0.017,594 0.008,595 0.492,596 0.17,597 1,598 0.636,599 108.83,600 -0.182,601 0.073,602 -0.02,603 0.133,604 -0.207,605 0.106,606 0.258,607 0.07,608 0.074,609 -0.025,610 0.157,611 -0.028,612 -0.299,613 -0.095,614 -0.22,615 -0.095,616 -0.225,617 -0.15,618 0.007,619 -0.232,620 -0.064,621 -0.245,622 0.086,623 -0.165,624 -0.139,625 0.042,626 -0.063,627 -0.031,628 -0.18,629 -0.088,630 -0.252,631 0.098,632 -0.069,633 0.12,634 -0.243,635 0.102,636 0.708,637 0.095,638 0.305,639 0.025,640 0.579,641 0.105,642 -0.297,643 0.119,644 -0.219,645 0.014,646 -0.303,647 -0.1,648 1.804,649 5.115,650 0.696,651 19.202,652 1.016,653 1.128,654 3.334,655 11.117,656 0.707,657 3.258,658 3.584,659 3.784,660 4.043,661 4.263,662 4.234,663 4.304,664 4.304,665 4.419,666 4.29,667 6.139,668 0.683,669 327.8,670 3.258,671 4.796,672 5.624,673 6.497,674 7.341,675 8.215,676 9.068,677 9.942,678 10.8,679 11.674,680 13.5,684 2,687 1,690 2,694 2,695 7,696 2,700 5,702 17,711 2,717 1,718 37,719 18,720 2,721 25,723 39,724 16,725 14,726 5,727 7,729 3,730 4,731 1,739 1,741 15,742 1,744 1,748 1,751 1,753 1,754 1,757 14,758 6,759 5,760 7,761 1,764 5,769 0.667,770 1,776 1,781 3,785 1,790 1,802 2,807 1,810 23,811 2,816 1,817 1,828 1,829 2.7,832 1,836 12.167,837 6.46,838 4.972,839 1.944,840 3.239,841 1.467,842 1.02,843 4.323,844 10.167,845 3.57,846 4.22,847 4.777,848 5.395,849 5.979,850 6.184,851 6.526,852 6.827,853 7.181,854 7.057,855 1,856 34,857 8.423,859 3.584,860 7.954,861 15.621,863 12.565,865 2.454,866 56.444,870 105.94,871 91.96,872 117.376,873 39.149,874 25.145,877 91.96,878 170.233,879 117.376,881 20.545,882 132.128,883 63.421,884 14.16,885 4.227,886 105.94,887 39.149,888 105.94,889 209.336,890 25.145,891 39.149,893 105.94,894 25.145,897 24.589,898 151.177,899 72.72,901 105.94,902 142.521,903 131.109,906 105.94,907 25.626,908 66.334,909 18.011,910 163.659,911 105.94,912 142.521,913 131.109,915 0.587,916 0.326,917 0.176,918 0.1,919 17,920 8,921 0.077,922 3,923 1,924 1.125,925 3.556,926 177.586,927 0.125,928 16,929 100.042,933 15.529,934 6.403,935 3.699,936 1.272,937 142.521,938 12.346,939 8.011,943 2.536,945 83.805,946 379.57,947 34.5,951 12.115,954 -0.137,956 37.578,957 41.721,958 0.331,959 0.705,960 0.825,961 0.927,962 0.927,963 0.927,964 4.79,965 1.007,966 5.617,967 4.741,968 4.263,969 4.905,970 2.076,971 6.389,972 4.176,973 6.022,974 1,975 7.152,976 2.565,977 3.892,978 4.796,979 1.593,980 7.168,981 3.736,982 7.336,983 0.274,984 8.778,985 2.275,986 5.826,987 7.16,988 3.1,989 10.232,990 5.672,991 8.679,992 0.061,993 10.453,994 0.704,995 6.176,996 7.803,997 3.168,998 11.804,999 5.967,1000 10.048,1001 -0.378,1002 12.161,1003 0.141,1004 7.632,1005 9.691,1006 4.312,1007 14.409,1008 7.423,1009 11.435,1010 -0.481,1011 13.894,1012 -1.015,1013 8.343,1014 10.732,1015 4.654,1016 16.374,1017 8.094,1018 12.839,1019 -0.683,1020 15.646,1021 -1.236,1022 9.593,1023 12.407,1024 5.601,1025 18.803,1026 9.335,1027 3.081,1028 -0.815,1029 17.416,1030 -1.629,1031 10.497,1032 13.67,1033 6.091,1034 20.961,1035 10.205,1036 2.696,1037 10.178,1038 19.199,1039 -2.213,1040 11.658,1041 15.244,1042 6.927,1043 23.321,1044 11.349,1045 2.478,1046 7.655,1047 20.996,1048 4.491,1049 12.662,1050 16.625,1051 7.5,1052 25.568,1053 12.322,1054 2.207,1055 7.004,1056 22.803,1057 3.63,1058 13.787,1059 18.154,1060 8.273,1061 27.902,1062 13.424,1063 2.038,1064 5.991,1065 24.621,1066 3.275,1067 14.844,1068 19.595,1069 8.894,1070 30.189,1071 14.45,1072 1.972,1073 5.797,1074 26.447,1075 2.897,1076 15.956,1077 21.105,1078 9.631,1079 32.513,1080 15.536,1081 1.724,1082 5.721,1083 28.28,1084 2.811,1085 17.041,1086 22.576,1087 10.279,1088 34.818,1089 16.589,1090 5765,1091 10703,1092 16.414,1093 26.148,1094 37.438,1095 38.625,1096 38.297,1097 37.213,1098 37.074,1099 50.988,1100 4.622,1101 105.544,1102 35.31,1103 5.407,1104 5.629,1105 5.917,1106 5.121,1107 5.081,1108 7.491,1109 3.497,1110 17.072,1111 4.986,1112 12.138,1113 1.498,1114 1.545,1115 1.532,1116 1.489,1117 1.483,1118 2.04,1119 0.185,1120 4.222,1121 1.412,1122 4.069,1123 4.105,1124 4.046,1125 3.973,1126 7.429,1127 3.984,1128 3.919,1129 3.944,1130 3.988,1131 3.866,1132 5.308,1133 3.858,1134 3.57,1135 3.624,1136 3.578,1137 3.357,1138 4.982,1139 3.388,1140 3.364,1141 3.412,1142 3.385,1143 3.19,1144 4.937,1145 3.204,1146 3.131,1147 3.237,1148 3.146,1149 2.909,1150 4.705,1151 2.923,1152 2.937,1153 3.009,1154 3.02,1155 2.742,1156 4.325,1157 2.757,1158 2.854,1159 2.925,1160 2.703,1161 2.735,1162 4.211,1163 2.715,1164 2.733,1165 2.804,1166 2.687,1167 2.534,1168 3.864,1169 2.543,1170 0.182,1171 0.145,1172 0.26,1173 0.162,1174 0.123,1175 4.542,1176 0.18,1177 3.629,1178 0.079,1179 6.503,1180 0.407,1181 4.049,1182 0.119,1183 3.081,1184 4.491,1185 1.987,1186 10.178,1187 2.986,1188 2.009,1189 1.982,1190 2.071,1191 2.127,1192 1.188,1193 2.111,1194 1.908,1195 1.886,1196 2.007,1197 1.986,1198 1.149,1199 1.999,1200 1.466,1201 1.418,1202 1.59,1203 1.713,1204 0.7,1205 1.681,1206 1.299,1207 1.25,1208 1.475,1209 1.517,1210 0.427,1211 1.51,1212 1.053,1213 0.978,1214 1.296,1215 1.386,1216 0.235,1217 1.371,1218 0.886,1219 0.821,1220 1.181,1221 1.128,1222 0.218,1223 1.139,1224 0.87,1225 0.799,1226 1.127,1227 1.062,1229 1.107,1230 0.675,1231 0.608,1232 1.002,1233 0.966,1235 0.994,1236 3.932,1238 5.252,1240 6.758,1242 8.354,1244 9.998,1247 5.826,1250 11.397,1252 0.253,1253 2.825,1262 25.283,1263 63.837,1264 135.837,1265 159.098,1266 178.75,1267 178.75,1268 178.75,1269 37.407,1270 6.929,1271 106.92,1272 106.92,1273 18,1274 12.217,1275 4.248,1276 3.392,1277 37.072,1278 85,1279 86,1280 0.214,1281 162.022,1282 270.82,1283 387.093,1284 9107,1285 2.7,1286 16.397,1287 0.713,1288 0.558,1289 16.897,1290 12.84,1291 11.008,1292 0.44,1293 0.29,1294 6.831,1295 10.362,1296 6.659,1297 5.513,1298 11.297,1299 7.259,1300 10.359,1301 0.296,1302 0.157,1303 10.768,1304 5.487,1305 7.974,1306 0.185,1307 0.083,1308 8.262,1309 3.556,1310 6.784,1311 0.121,1312 0.042,1313 6.951,1314 2.367,1315 5.454,1316 0.078,1317 0.023,1318 5.69,1319 1.641,1320 0.34,1321 71.603,1322 0.247,1323 22.821,1324 0.574,1325 120,1326 366.186,1327 146.171,1328 393.741,1329 524.93,1330 364,1331 138,1332 365.077,1333 156.913,1334 381.941,1335 551.93,1336 359,1337 7.64}
{0 CHEMBL268354,1 1.522,2 4.667,3 0.955,4 0.912,5 48.461,6 8.01,7 0.846,8 3.14,9 3.289,10 2.755,11 2.655,12 4.413,13 2.667,14 3.529,15 3.695,16 3.097,17 2.992,18 4.834,19 2.977,20 3.696,21 3.901,22 3.059,23 3.022,24 4.874,25 3,26 3.61,27 3.83,28 2.817,29 2.826,30 4.885,31 2.764,32 3.49,33 3.773,34 2.174,35 2.483,36 4.612,37 2.355,38 3.091,39 3.452,40 1.169,41 1.901,42 3.864,43 1.628,44 2.23,45 2.619,46 0.269,47 1.054,48 2.708,49 0.762,50 1.02,51 1.365,52 0.014,53 0.255,54 1.099,55 0.13,56 0.051,57 0.343,58 3.716,59 1.275,60 9.472,61 1.731,62 0.114,63 0.495,64 5.782,65 2.444,66 13.222,67 3.286,68 0.104,69 0.537,70 7.633,71 2.323,72 13.388,73 3.398,74 0.115,75 0.46,76 7.141,77 2.301,78 17.805,79 3.38,80 0.147,81 0.34,82 7.425,83 1.674,84 22.417,85 2.683,86 0.091,87 0.171,88 6.087,89 1.628,90 14.667,91 2.688,92 0.038,93 0.055,94 2.718,95 0.735,96 6.25,97 1.239,98 0.009,99 0.009,100 0.679,101 0.176,102 1.389,103 0.31,104 5,105 18,106 0.322,107 0.618,108 0.724,109 0.851,110 0.872,111 0.872,112 2.602,113 0.819,114 -3.02,115 -3.02,116 -2.91,119 40,139 4,140 1,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 3,172 3,173 3,175 1,178 4,180 1,182 3,187 1,189 2,191 1,193 3,195 1,196 1,197 1,198 4,200 2,204 4,205 1,207 1,212 3,218 3,226 1,231 1,273 82,274 8,275 8,276 8,277 8,278 8,279 6.636,280 6.325,281 4.753,282 8.178,283 6.422,284 6.422,285 6.422,286 6.422,287 6.422,288 4.447,289 7.5,290 2.257,291 6.722,292 2.8,293 1.4,294 0.9,295 0.3,296 0.2,297 0.2,298 3.233,301 1,302 1,303 117,304 1.414,307 45.609,311 39.255,314 0.722,315 9.836,318 1,319 0.67,320 0.83,321 0.6,323 1,324 1,325 0.73,326 26,327 56,328 4.514,329 3.083,330 6.479,331 4.012,332 3.047,333 4.46,335 10.067,336 2.946,337 3.568,338 2.255,339 5.063,340 3.085,341 2.159,342 3,344 5.952,345 1.995,346 3.424,347 2.078,348 5.016,349 2.945,350 2,351 2.811,353 5.782,354 1.886,355 2.889,356 1.41,357 3.695,358 2.387,359 1.4,360 2.077,362 3.031,363 1.38,364 2.44,365 1.055,366 3.573,367 1.973,368 1,369 1.414,371 2.449,372 0.971,373 1.285,374 -0.023,375 2.681,376 0.824,377 -0.113,378 -0.153,380 -0.277,381 -0.106,382 0.959,383 -0.302,384 2.36,385 0.472,386 -0.455,387 -0.585,389 -1.149,390 -0.419,391 0.552,392 -0.723,393 2,394 0.148,395 -0.815,396 -1.093,398 -1.918,399 -0.783,400 0.354,401 -0.947,402 1.472,403 -0.035,404 -1,405 -1.409,407 -2.449,408 -0.966,409 -0.216,410 -1.402,411 1.315,412 -0.585,413 -1.516,414 -2.02,415 -4.063,416 -1.395,417 -0.269,418 -1.684,419 1.028,420 -0.753,421 -1.707,422 -2.504,423 -5.075,424 -1.635,425 -0.5,426 -2,427 1,428 -1,429 -2,430 -3,431 -5.461,432 -1.873,433 -0.5,434 -2,435 0.318,436 -1.072,437 -2,438 -3,439 -6.889,440 -2,459 5.6,460 0.467,461 0.315,462 0.026,463 19,464 1.583,465 11,466 0.917,467 8,468 0.667,469 5.026,470 0.419,471 12.4,472 0.62,473 10.265,474 0.855,475 3.827,476 0.319,477 1.944,478 0.162,479 0.143,481 0.357,485 1.264,486 1.126,487 0.807,488 0.765,489 1.472,490 0.713,491 0.332,492 0.893,493 0.656,494 0.991,495 0.369,496 0.901,497 1.224,498 1.203,499 0.962,500 0.976,501 0.95,502 0.93,503 0.906,504 1.291,505 1.129,506 1.358,507 0.797,508 1.297,509 1.703,510 0.965,511 1.558,512 1.088,513 1.787,514 1.261,515 0.809,516 0.629,517 0.993,518 0.855,519 1,520 0.94,521 0.449,522 0.346,523 0.653,524 0.564,525 0.649,526 0.632,533 2.5,535 1.333,536 1,537 0.707,538 0.146,539 0.04,543 763,544 2294,545 2.04,546 40,548 4,551 4,555 1.463,556 1.895,557 2.328,558 2.537,564 30.439,565 1.522,566 2.922,567 3.422,568 4.022,569 4.122,570 4.122,571 1.784,572 2.355,573 3.565,574 2.298,575 151.65,576 5.884,577 1053.21,579 1,582 86.439,583 1.459,584 3.507,585 0.192,587 0.074,588 0.059,589 0.059,590 0.029,591 0.04,595 0.453,596 0.5,597 1,598 0.73,599 40.584,600 -0.339,601 0.051,602 -0.034,603 0.189,604 -0.489,605 0.143,606 0.503,607 0.221,608 0.152,609 0.005,610 0.342,611 0.013,612 -0.262,613 -0.17,614 -0.082,615 -0.041,616 -0.155,617 -0.03,618 0.068,619 -0.31,620 -0.222,621 -0.439,622 0.203,623 -0.393,624 -0.539,625 -0.08,626 -0.537,627 -0.236,628 -0.516,629 -0.361,630 0.05,631 -0.009,632 0.205,633 0.15,634 0.011,635 0.196,636 0.311,637 0.138,638 0.656,639 0.505,640 0.259,641 0.62,642 0.7,643 0.31,644 1.476,645 1.137,646 0.776,647 1.395,648 1.453,649 1.626,650 0.833,651 4.111,652 1.009,653 1.141,654 1.79,655 3.204,656 0.677,657 2.639,658 2.944,659 3.178,660 3.434,661 3.584,662 3.434,663 3.219,664 3.091,665 2.944,666 1.946,667 2.992,668 0.657,669 160.2,670 2.639,671 4.143,672 4.977,673 5.849,674 6.701,675 7.577,676 8.433,677 9.31,678 10.167,679 11.043,680 20,684 2,690 2,694 2,695 4,696 2,700 2,702 11,711 2,718 20,719 11,720 1,721 13,723 21,724 8,725 8,726 2,727 4,729 2,730 3,741 8,757 8,758 4,759 4,760 4,764 4,769 0.5,776 1,781 2,785 1,802 1,810 12,811 2,836 6.333,837 3.4,838 2.639,839 0.992,840 2.378,841 1.437,842 1.034,843 1.502,844 7.82,845 2.97,846 3.651,847 4.29,848 4.929,849 5.497,850 5.686,851 5.901,852 6.173,853 6.423,854 5.388,855 1,856 17,857 4.352,858 0.006,859 1.808,860 7.889,861 8.082,862 0.002,863 6.359,864 -0.002,865 2.389,866 28.667,867 0.007,870 47.084,871 46.849,872 99.365,877 46.849,878 47.084,879 99.365,882 103.699,883 33.571,884 4.717,885 4.227,886 47.084,888 47.084,889 146.215,893 47.084,897 4.043,898 108.6,899 33.571,901 47.084,902 99.365,903 46.849,906 47.084,907 8.944,908 37.905,910 99.365,911 47.084,912 99.365,913 46.849,915 0.58,916 0.338,917 0.192,918 0.1,919 10,920 4,923 1,924 1.2,925 2.382,926 71.581,927 0.2,928 10,929 43.02,933 7.159,934 2.518,935 1.17,936 1.62,937 99.365,938 7.486,939 7.869,943 0.643,945 65.794,946 193.299,947 18.5,956 20.174,957 22.824,958 0.352,959 0.676,960 0.792,961 0.931,962 0.954,963 0.954,964 4.155,965 -0.815,966 4.963,967 -1.149,968 3.611,969 4.331,971 5.759,972 3.524,973 5.394,974 -1,975 6.512,976 -1.918,977 3.219,978 4.227,980 6.629,981 3.074,982 6.715,983 -1.516,984 8.164,985 -2.449,986 5.176,987 6.667,989 9.735,990 5.009,991 8.076,992 -1.707,993 9.875,994 -4.063,995 5.565,996 7.38,998 11.437,999 5.351,1000 9.468,1001 -2,1002 11.626,1003 -5.075,1004 7.04,1005 9.303,1007 14.062,1008 6.808,1009 10.883,1010 -2,1011 13.404,1012 -5.461,1013 7.816,1014 10.426,1016 16.116,1017 7.547,1018 12.318,1020 15.202,1021 -6.889,1022 9.081,1023 12.114,1025 18.558,1026 8.79,1027 3.047,1029 17.016,1031 10.043,1032 13.439,1034 20.759,1035 9.718,1036 2.159,1037 10.067,1038 18.842,1040 11.219,1041 15.021,1043 23.127,1044 10.869,1045 2,1046 5.952,1047 20.676,1048 4.46,1049 12.266,1050 16.439,1052 25.39,1053 11.882,1054 1.4,1055 5.782,1056 22.518,1057 3,1058 13.405,1059 17.973,1061 27.726,1062 12.993,1063 1,1064 3.031,1065 24.366,1066 2.811,1067 14.49,1068 19.434,1070 30.014,1071 14.044,1072 -0.113,1073 2.449,1074 26.218,1075 2.077,1076 15.614,1077 20.947,1079 32.336,1080 15.137,1081 -0.455,1082 -0.277,1083 28.074,1084 1.414,1085 16.715,1086 22.427,1088 34.636,1089 16.205,1090 814,1091 1473,1092 8.553,1093 13.546,1094 19.439,1095 19.146,1096 19.959,1097 19.265,1098 19.212,1099 27.525,1101 54.562,1102 18.354,1103 5.014,1104 5.083,1105 6.161,1106 5.084,1107 5.047,1108 7.46,1110 16.956,1111 4.946,1112 4.959,1113 1.495,1114 1.473,1115 1.535,1116 1.482,1117 1.478,1118 2.117,1120 4.197,1121 1.412,1122 4.052,1123 4.088,1124 4.02,1125 3.959,1126 5.308,1127 3.968,1128 3.457,1129 3.529,1130 3.38,1131 3.259,1132 4.982,1133 3.283,1134 3.131,1135 3.237,1136 3.022,1137 2.905,1138 4.708,1139 2.921,1140 2.834,1141 2.927,1142 2.68,1143 2.611,1144 4.174,1145 2.62,1146 2.675,1147 2.79,1148 2.482,1149 2.386,1150 3.818,1151 2.401,1152 2.238,1153 2.37,1154 2.005,1155 1.803,1156 3.462,1157 1.827,1158 1.956,1159 2.08,1160 1.757,1161 1.587,1162 3.081,1163 1.608,1164 1.494,1165 1.681,1166 1.015,1167 1.136,1168 1.963,1169 1.081,1170 0.347,1171 0.237,1172 0.498,1173 0.309,1174 0.234,1175 4.514,1176 0.343,1177 3.083,1179 6.479,1180 0.774,1181 4.012,1182 0.227,1183 3.047,1184 4.46,1186 10.067,1187 2.946,1188 2.003,1189 1.975,1190 2.076,1191 2.118,1192 1.16,1193 2.105,1194 1.384,1195 1.319,1196 1.534,1197 1.625,1198 0.426,1199 1.611,1200 1.054,1201 0.977,1202 1.297,1203 1.386,1204 0.228,1205 1.371,1206 0.804,1207 0.71,1208 1.122,1209 1.068,1211 1.089,1212 0.63,1213 0.514,1214 0.982,1215 0.961,1217 0.983,1218 0.154,1220 0.538,1221 0.532,1223 0.541,1226 0.317,1227 0.238,1229 0.238,1232 0.085,1233 0.018,1235 0.098,1236 3.296,1238 4.595,1240 6.116,1242 7.744,1244 9.424,1250 11.048,1262 13.139,1263 30.439,1264 58.439,1265 68.439,1266 80.439,1267 82.439,1268 82.439,1269 10.416,1270 5.442,1271 77.82,1272 77.82,1273 12,1274 11.585,1275 3.585,1276 2.7,1277 16.983,1278 23,1279 16,1280 0.432,1281 85.263,1282 131.24,1283 199.801,1284 1151,1286 8.552,1287 0.713,1288 0.53,1289 8.552,1290 6.359,1291 5.771,1292 0.444,1293 0.273,1294 3.5,1295 5.569,1296 3.434,1297 2.871,1298 5.771,1299 3.549,1300 5.262,1301 0.292,1302 0.138,1303 5.262,1304 2.484,1305 4.178,1306 0.182,1307 0.072,1308 4.178,1309 1.65,1310 3.701,1311 0.123,1312 0.037,1313 3.701,1314 1.12,1315 2.74,1316 0.078,1317 0.02,1318 2.74,1319 0.688,1320 0.607,1321 36.019,1322 0.342,1323 11.697,1324 1.396,1325 62,1326 177.915,1327 68.383,1328 180.895,1329 251.88,1330 168,1331 72,1332 194.324,1333 77.662,1334 198.609,1335 288.25,1336 187,1337 4.66}
{0 CHEMBL268355,1 1.493,2 9.238,3 2.862,4 8.193,5 85.149,6 6.937,7 0.522,8 3.808,9 3.946,10 3.311,11 3.322,12 4.891,13 3.295,14 4.339,15 4.524,16 3.658,17 3.728,18 5.36,19 3.666,20 4.591,21 4.807,22 3.692,23 3.89,24 5.492,25 3.793,26 4.691,27 4.944,28 3.585,29 3.879,30 5.575,31 3.74,32 4.676,33 4.948,34 3.41,35 3.793,36 5.519,37 3.638,38 4.579,39 4.872,40 3.227,41 3.649,42 5.378,43 3.478,44 4.401,45 4.699,46 3.17,47 3.435,48 5.198,49 3.292,50 4.086,51 4.337,52 3.033,53 3.199,54 5.076,55 3.103,56 0.048,57 0.621,58 9.305,59 3.573,60 10.311,61 5.076,62 0.202,63 0.969,64 16.717,65 6.612,66 24.57,67 9.125,68 0.163,69 1.191,70 21.858,71 7.845,72 20.687,73 11.572,74 0.225,75 1.234,76 24.787,77 8.765,78 34.293,79 13.097,80 0.27,81 1.162,82 25.016,83 7.984,84 36.301,85 12.298,86 0.237,87 1.008,88 22.955,89 7.369,90 33.391,91 11.393,92 0.192,93 0.799,94 19.464,95 6.397,96 25.618,97 9.652,98 0.152,99 0.652,100 13.784,101 3.945,102 21.275,103 6.176,104 11,105 32,106 0.266,107 0.616,108 0.779,109 0.864,110 0.881,111 0.881,112 3.103,113 0.938,114 -4.26,115 -4.2,116 -3.97,119 39,121 4,122 1,124 1,139 4,140 2,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 5,172 3,173 3,175 1,178 13,180 1,182 5,187 1,189 11,191 1,193 5,195 1,196 1,197 1,198 4,200 2,201 8,204 4,205 1,207 4,212 4,215 7,218 4,221 4,226 2,229 4,231 2,234 6,239 3,241 2,243 3,246 2,251 2,256 2,259 2,260 2,262 1,263 1,265 3,270 3,273 528,274 14.196,275 14.196,276 14.196,277 14.196,278 14.196,279 12.643,280 18.153,281 8.329,282 14.553,283 11.315,284 11.315,285 11.315,286 11.315,287 11.315,288 8.942,289 19.204,290 3.92,291 11.804,292 3.864,293 1.897,294 0.982,295 0.506,296 0.409,297 0.409,298 3.785,300 1,301 1,302 1,303 415,304 2.345,307 165.944,311 86.384,314 1.392,315 16.168,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 45,327 194,328 4.418,329 3.273,330 6.503,331 4.053,332 3.082,333 4.092,334 0.86,335 10.179,336 2.998,337 4.079,338 2.957,339 5.668,340 3.701,341 2.722,342 3.673,344 7.948,345 2.667,346 3.583,347 2.6,348 5.299,349 3.344,350 2.384,351 2.843,353 6.839,354 2.288,355 3.405,356 2.324,357 5.063,358 3.02,359 2.087,360 2.654,362 5.904,363 1.939,364 3.307,365 2.221,366 5.003,367 2.943,368 1.997,369 2.554,371 5.794,372 1.886,373 3.062,374 1.969,375 4.788,376 2.788,377 1.822,378 2.148,380 5.292,381 1.75,382 2.667,383 1.331,384 3.709,385 2.202,386 1.211,387 1.741,389 2.634,390 1.197,391 2.091,392 1.291,393 3.498,394 1.981,395 1.006,396 1.066,398 2.565,399 0.978,400 1.584,401 0.936,402 3.027,403 1.298,404 0.432,405 0.483,407 0.682,408 0.37,409 1.428,410 0.396,411 2.706,412 1.218,413 0.248,414 0.28,415 0.596,416 0.24,417 1.036,418 -0.041,419 2.661,420 0.725,421 -0.24,422 -0.288,423 -0.641,424 -0.231,425 0.85,426 -0.291,427 2.516,428 0.475,429 -0.453,430 -0.557,431 -1.163,432 -0.418,433 0.598,434 -0.395,435 2.27,436 0.215,437 -0.74,438 -0.863,439 -1.609,440 -0.69,441 0.486,442 -0.544,443 1.861,444 0.149,445 -0.815,446 -0.913,448 -2.114,449 -0.778,450 0.265,451 -0.66,452 1.636,453 0.124,454 -0.842,455 -1.038,457 -2.423,458 -0.821,459 9.933,460 0.473,461 0.52,462 0.025,463 27,464 1.286,465 13.5,466 0.643,467 13.5,468 0.643,469 16.501,470 0.786,471 23.067,472 0.563,473 16.962,474 0.808,475 5.072,476 0.242,477 5.08,478 0.242,479 0.131,481 0.352,485 1.031,486 1.222,487 0.888,488 1.053,489 1.187,490 0.959,491 0.837,492 0.941,493 0.854,494 1.009,495 0.504,496 0.963,497 0.958,498 1.178,499 1.052,500 1.145,501 0.839,502 1.116,503 0.725,504 1.099,505 1.048,506 1.18,507 0.796,508 1.16,509 1.071,510 0.993,511 1.153,512 1.044,513 1.28,514 1.095,515 0.922,516 0.874,517 1.047,518 0.97,519 1.116,520 1.009,521 0.98,522 0.872,523 0.737,524 0.812,525 0.655,526 0.769,527 1.43,528 1.162,529 1.117,530 1.05,531 1.346,532 1.039,533 5,534 0.062,535 1.778,536 1.563,537 1.32,538 0.417,539 0.424,540 0.177,541 0.214,542 0.124,543 4363,544 10931,545 2.074,546 48.8,547 7,548 7,551 4,552 2,555 1.63,556 1.938,557 3.194,558 1.874,559 1,560 1,562 1,564 61.221,565 1.493,566 3.461,567 4.375,568 4.851,569 4.949,570 4.949,571 2.684,572 4.202,573 4.365,574 3.301,575 693.314,576 7.467,577 7302.61,578 1,579 1,581 1,582 219.66,583 1.418,584 4.322,585 0.217,586 0.009,587 0.056,588 0.049,589 0.049,590 0.019,591 0.024,592 0.01,593 0.014,594 0.01,595 0.456,596 0.33,597 1,598 0.819,599 94.827,600 -0.107,601 0.028,602 0.03,603 0.053,604 -0.154,605 0.066,606 0.158,607 0.167,608 0.088,609 0.07,610 0.282,611 0.058,612 -0.108,613 -0.112,614 -0.113,615 -0.105,616 -0.081,617 -0.109,618 0.029,619 -0.105,620 -0.104,621 -0.172,622 0.035,623 -0.161,624 -0.17,625 -0.027,626 -0.184,627 -0.081,628 -0.259,629 -0.125,630 -0.096,631 0.045,632 -0.076,633 -0.014,634 -0.175,635 -0.033,636 0.035,637 -0.045,638 0.258,639 0.16,640 0.154,641 0.223,642 -0.182,643 -0.161,644 -0.112,645 -0.119,646 -0.163,647 -0.106,648 1.391,649 1.992,650 0.762,651 15.388,652 0.995,653 1.135,654 3.03,655 9.18,656 0.648,657 3.178,658 3.497,659 3.738,660 4.007,661 4.234,662 4.234,663 4.317,664 4.382,665 4.522,666 4.454,667 5.385,668 0.61,669 284.4,670 3.178,671 4.71,672 5.549,673 6.425,674 7.28,675 8.159,676 9.021,677 9.901,678 10.766,679 11.647,680 9.8,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 1,718 41,719 12,720 1,721 23,723 43,724 16,725 10,726 2,727 4,729 3,730 4,736 3,737 1,739 4,741 10,742 6,743 1,753 1,754 1,757 20,758 5,759 4,760 5,764 4,769 0.667,770 1,776 1,781 3,785 1,802 2,806 1,810 21,811 2,816 4,818 1,820 1,829 2.4,834 1,836 10.833,837 7.4,838 4.639,839 2.381,840 2.263,841 1.33,842 0.988,843 3.974,844 9.117,845 3.401,846 3.989,847 4.505,848 5.035,849 5.51,850 5.55,851 5.653,852 5.883,853 6.247,854 6.461,855 1,856 32,857 7.73,859 3.236,860 7.635,861 15.004,863 12.432,865 2.135,866 44.833,867 0.001,869 1,870 188.338,871 77.525,872 99.365,874 11,877 77.525,878 199.338,879 99.365,880 10.883,881 10.138,882 103.699,883 33.571,884 25.371,885 4.227,886 188.338,888 188.338,889 176.89,890 11,893 188.338,894 11,897 14.794,898 128.525,899 33.571,901 188.338,902 110.365,903 77.525,906 188.338,907 28.736,908 48.788,910 110.365,911 188.338,912 110.365,913 77.525,915 0.579,916 0.336,917 0.185,918 0.102,919 16,920 7,921 0.07,922 3,923 1,924 1.125,925 3.346,926 160,927 0.125,928 16,929 92.239,933 14.146,934 5.9,935 3.106,937 110.365,938 8.233,939 8.39,943 5.09,945 65.794,946 376.227,947 29,956 40.803,957 46.524,958 0.279,959 0.646,960 0.817,961 0.906,962 0.924,963 0.924,964 4.635,965 1.006,966 5.533,967 2.634,968 4.174,969 4.673,970 0.908,971 6.319,972 4.101,973 5.83,974 0.432,975 7.074,976 2.565,977 3.761,978 4.477,980 7.125,981 3.649,982 7.13,983 0.248,984 8.707,985 0.682,986 5.746,987 6.824,988 0.739,989 10.204,990 5.615,991 8.459,992 -0.24,993 10.392,994 0.596,995 6.089,996 7.379,998 11.804,999 5.921,1000 9.815,1001 -0.453,1002 12.111,1003 -0.641,1004 7.569,1005 9.245,1006 0.593,1007 14.41,1008 7.39,1009 11.192,1010 -0.74,1011 13.855,1012 -1.163,1013 8.288,1014 10.176,1016 16.39,1017 8.076,1018 12.584,1019 -0.815,1020 15.617,1021 -1.609,1022 9.55,1023 11.82,1024 0.469,1025 18.817,1026 9.326,1027 3.082,1028 -0.842,1029 17.395,1030 -2.114,1031 10.465,1032 12.957,1034 20.98,1035 10.209,1036 2.722,1037 10.179,1038 19.186,1039 -2.423,1040 11.633,1041 14.486,1042 0.366,1043 23.338,1044 11.36,1045 2.384,1046 7.948,1047 20.989,1048 4.092,1049 12.647,1050 15.736,1052 25.585,1053 12.344,1054 2.087,1055 6.839,1056 22.802,1057 3.673,1058 13.776,1059 17.205,1060 0.283,1061 27.917,1062 13.453,1063 1.997,1064 5.904,1065 24.623,1066 2.843,1067 14.839,1068 18.519,1070 30.203,1071 14.487,1072 1.822,1073 5.794,1074 26.452,1075 2.654,1076 15.955,1077 19.954,1078 0.217,1079 32.525,1080 15.579,1081 1.211,1082 5.292,1083 28.288,1084 2.554,1085 17.044,1086 21.304,1088 34.829,1089 16.639,1090 4267,1091 6835,1092 15.315,1093 26.569,1094 34.026,1095 34.63,1096 35.027,1097 33.964,1098 33.984,1099 43.068,1100 1.72,1101 96.867,1102 32.626,1103 5.363,1104 5.273,1105 6.095,1106 5.124,1107 5.082,1108 7.092,1109 1.72,1110 17.073,1111 4.998,1112 9.897,1113 1.479,1114 1.506,1115 1.523,1116 1.477,1117 1.478,1118 1.873,1119 0.075,1120 4.212,1121 1.419,1122 4.021,1123 4.063,1124 3.959,1125 3.929,1126 5.282,1127 3.928,1128 3.884,1129 3.914,1130 3.832,1131 3.789,1132 4.978,1133 3.795,1134 3.543,1135 3.611,1136 3.436,1137 3.364,1138 4.863,1139 3.376,1140 3.264,1141 3.329,1142 3.095,1143 3.038,1144 4.465,1145 3.036,1146 3.174,1147 3.267,1148 3.019,1149 2.952,1150 4.375,1151 2.954,1152 3.086,1153 3.184,1154 2.923,1155 2.86,1156 4.022,1157 2.868,1158 2.858,1159 2.972,1160 2.642,1161 2.646,1162 3.761,1163 2.635,1164 2.775,1165 2.865,1166 2.585,1167 2.588,1168 3.609,1169 2.572,1170 0.192,1171 0.142,1172 0.283,1173 0.176,1174 0.134,1175 4.418,1176 0.178,1177 3.273,1178 0.037,1179 6.503,1180 0.443,1181 4.053,1182 0.13,1183 3.082,1184 4.092,1185 0.86,1186 10.179,1187 2.998,1188 1.979,1189 1.945,1190 2.116,1191 2.099,1192 1.469,1193 2.103,1194 1.859,1195 1.829,1196 1.972,1197 1.976,1198 1.114,1199 1.975,1200 1.491,1201 1.43,1202 1.649,1203 1.716,1204 0.789,1205 1.709,1206 1.222,1207 1.152,1208 1.57,1209 1.516,1210 0.741,1211 1.536,1212 1.165,1213 1.085,1214 1.492,1215 1.418,1216 0.572,1217 1.437,1218 1.037,1219 0.951,1220 1.319,1221 1.34,1222 0.395,1223 1.352,1224 0.841,1225 0.746,1226 1.206,1227 1.154,1228 0.152,1229 1.19,1230 0.785,1231 0.698,1232 1.09,1233 1.018,1234 0.086,1235 1.045,1236 3.85,1238 5.165,1240 6.681,1242 8.292,1244 9.952,1246 1.693,1250 11.649,1252 3.945,1254 5.279,1256 0.555,1262 25.015,1263 61.221,1264 141.885,1265 179.395,1266 198.905,1267 202.905,1268 202.905,1269 28.454,1270 6.854,1271 87.05,1272 87.05,1273 18,1274 12.185,1275 3.7,1276 2.807,1277 32.272,1278 68,1279 66,1280 0.238,1281 155.677,1282 263.43,1283 371.611,1284 7934,1286 14.82,1287 0.706,1288 0.58,1289 14.82,1290 12.173,1291 10.152,1292 0.441,1293 0.313,1294 7.1,1295 9.793,1296 6.904,1297 5.74,1298 10.152,1299 7.191,1300 9.199,1301 0.287,1302 0.174,1303 9.199,1304 5.557,1305 7.502,1306 0.183,1307 0.1,1308 7.502,1309 4.083,1310 6.444,1311 0.119,1312 0.056,1313 6.444,1314 3.037,1315 5.179,1316 0.076,1317 0.033,1318 5.179,1319 2.245,1320 0.369,1321 63.422,1322 0.256,1323 20.769,1324 0.659,1325 110,1326 283.65,1327 119.262,1328 279.269,1329 386.76,1330 262,1331 128,1332 289.869,1333 136.32,1334 296.997,1335 428.92,1336 278,1337 6.959}
{0 CHEMBL268456,1 1.491,2 5.154,3 1.441,4 2.077,5 53.502,6 7.575,7 0.786,8 3.257,9 3.409,10 2.827,11 2.772,12 4.484,13 2.768,14 3.681,15 3.867,16 3.188,17 3.124,18 4.911,19 3.096,20 3.832,21 4.022,22 3.169,23 3.2,24 4.99,25 3.158,26 3.873,27 4.117,28 2.954,29 3.068,30 5.013,31 2.972,32 3.72,33 3.995,34 2.527,35 2.764,36 4.808,37 2.639,38 3.466,39 3.804,40 1.643,41 2.295,42 4.382,43 2.081,44 2.863,45 3.251,46 0.983,47 1.662,48 3.379,49 1.363,50 1.818,51 2.091,52 0.38,53 0.906,54 2.833,55 0.754,56 0.042,57 0.382,58 4.66,59 1.594,60 8.893,61 2.306,62 0.121,63 0.557,64 7.694,65 3.047,66 14.923,67 4.271,68 0.077,69 0.624,70 8.986,71 2.924,72 12.161,73 4.378,74 0.12,75 0.57,76 10.345,77 3.367,78 20.863,79 5.135,80 0.114,81 0.444,82 9.381,83 2.417,84 21.12,85 3.988,86 0.155,87 0.282,88 8.147,89 1.687,90 22.978,91 2.966,92 0.045,93 0.122,94 4.793,95 1.463,96 7.697,97 2.402,98 0.029,99 0.049,100 1.282,101 0.225,102 5.45,103 0.406,104 10,105 20,106 0.305,107 0.693,108 0.771,109 0.848,110 0.848,111 0.848,112 2.671,113 0.849,114 -3.34,115 -3.32,116 -3.18,119 39.1,120 1,139 3,140 2,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 3,172 3,173 3,175 1,178 6,180 1,182 3,187 1,189 4,191 1,193 3,195 1,196 1,197 1,198 4,200 2,204 4,205 1,207 3,212 4,218 4,226 1,231 1,239 1,243 1,273 114,274 8.447,275 8.447,276 8.447,277 8.447,278 8.447,279 7.058,280 8.75,281 4.892,282 8.626,283 6.905,284 6.905,285 6.905,286 6.905,287 6.905,288 4.86,289 8.971,290 2.34,291 7.205,292 3.033,293 1.142,294 0.761,295 0.381,296 0.381,297 0.381,298 3.303,301 1,302 1,303 139,304 1.581,307 51.529,311 44.341,314 0.828,315 10.214,318 1,319 0.67,320 0.83,321 0.6,323 1,324 1,325 0.73,326 28,327 67,328 4.537,329 3.116,330 6.498,331 4.042,332 3.072,333 4.489,335 10.153,336 2.982,337 3.72,338 2.489,339 5.115,340 3.288,341 2.326,342 3.193,344 6.29,345 2.243,346 3.427,347 2.154,348 5.058,349 2.963,350 2.024,351 2.811,353 5.796,354 1.894,355 3.331,356 2.013,357 4.86,358 2.875,359 1.919,360 2.651,362 5.449,363 1.827,364 2.451,365 1.058,366 3.708,367 1.981,368 1.006,369 1.431,371 2.565,372 0.978,373 1.485,374 0.322,375 2.746,376 1.086,377 0.132,378 0.171,380 0.313,381 0.125,382 0.978,383 -0.288,384 2.55,385 0.491,386 -0.434,387 -0.564,389 -1.129,390 -0.4,391 0.652,392 -0.412,393 2.339,394 0.288,395 -0.675,396 -0.814,398 -1.644,399 -0.646,400 0.472,401 -0.732,402 1.753,403 0.145,404 -0.816,405 -1.108,407 -2.308,408 -0.79,409 0.011,410 -1.118,411 1.462,412 -0.3,413 -1.276,414 -1.684,415 -3.257,416 -1.238,417 -0.225,418 -1.402,419 1.139,420 -0.591,421 -1.517,422 -2.02,423 -4.205,424 -1.396,425 -0.339,426 -1.719,427 1.078,428 -0.796,429 -1.761,430 -2.555,431 -5.152,432 -1.705,433 -0.5,434 -2,435 1,436 -1,437 -2,438 -3,439 -5.976,440 -1.874,441 -0.5,442 -2,443 0.695,444 -1.072,445 -2,446 -3,448 -6.894,449 -2,459 6.1,460 0.469,461 0.421,462 0.032,463 19.5,464 1.5,465 11,466 0.846,467 8.5,468 0.654,469 6.582,470 0.506,471 13.7,472 0.596,473 11.001,474 0.846,475 3.868,476 0.298,477 2.297,478 0.177,479 0.213,481 0.41,485 1.227,486 1.162,487 0.845,488 0.85,489 1.449,490 0.796,491 0.311,492 0.831,493 0.595,494 0.88,495 0.309,496 0.799,497 1.188,498 1.299,499 1.06,500 1.143,501 0.964,502 1.091,503 0.764,504 1.172,505 1.018,506 1.239,507 0.736,508 1.181,509 1.344,510 1.218,511 1.282,512 1.212,513 1.36,514 1.233,515 1.751,516 0.589,517 1.453,518 0.775,519 1.77,520 1.019,521 0.191,522 0.586,523 0.481,524 0.689,525 0.198,526 0.641,527 2.418,528 0.752,529 2.13,530 1.141,531 3.33,532 1.516,533 3.5,535 1.556,536 1.063,537 1.058,538 0.174,539 0.121,543 936,544 2607,545 1.992,546 43.5,547 3,548 3,551 4,555 1.49,556 1.814,557 2.443,558 2.417,562 1,564 34.293,565 1.491,566 3.382,567 3.762,568 4.143,569 4.143,570 4.143,571 1.884,572 3.547,573 3.678,574 2.442,575 190.506,576 6.113,577 1381.47,579 1,582 104.042,583 1.549,584 3.601,585 0.25,587 0.078,588 0.056,589 0.076,590 0.022,591 0.06,595 0.541,596 0.5,597 1,598 0.773,599 45.931,600 -0.279,601 0.048,602 -0.019,603 0.151,604 -0.437,605 0.115,606 0.525,607 0.277,608 0.276,609 0.153,610 0.415,611 0.171,612 -0.248,613 -0.197,614 -0.193,615 -0.168,616 -0.187,617 -0.171,618 0.136,619 -0.218,620 -0.08,621 -0.272,622 0.19,623 -0.221,624 -0.271,625 -0.314,626 -0.295,627 -0.319,628 -0.19,629 -0.312,630 -0.512,631 0.212,632 -0.373,633 0.055,634 -0.538,635 -0.105,636 0.419,637 -0.06,638 0.661,639 0.339,640 0.513,641 0.506,642 -0.959,643 0.165,644 -1.1,645 -0.393,646 -1.309,647 -0.708,648 1.45,649 1.695,650 0.769,651 4.982,652 1.003,653 1.141,654 2.107,655 4.44,656 0.666,657 2.708,658 3.045,659 3.258,660 3.526,661 3.738,662 3.611,663 3.497,664 3.258,665 3.219,666 2.197,667 3.223,668 0.638,669 174.23,670 2.708,671 4.234,672 5.069,673 5.953,674 6.81,675 7.695,676 8.56,677 9.442,678 10.311,679 11.192,680 17.4,684 2,690 2,694 2,695 3,696 2,700 3,702 11,711 2,718 23,719 11,720 1,721 14,723 24,724 9,725 8,726 3,727 3,729 2,730 3,734 1,741 8,742 1,757 10,758 4,759 4,760 4,764 4,769 0.5,776 1,781 2,785 1,802 1,806 1,810 13,811 2,836 7.167,837 4.317,838 2.806,839 1.186,840 2.378,841 1.424,842 1.017,843 1.725,844 7.984,845 3.02,846 3.726,847 4.35,848 5,849 5.608,850 5.829,851 6.09,852 6.306,853 6.612,854 5.689,855 0.75,856 19,857 4.729,858 -0.003,859 1.958,860 7.833,861 8.856,862 -0.001,863 7.002,864 0.001,865 2.333,866 30.333,867 0.006,870 70.627,871 49.384,872 99.365,877 49.384,878 70.627,879 99.365,880 8.825,882 94.223,883 33.571,884 7.903,885 4.227,886 70.627,888 70.627,889 148.749,893 70.627,897 12.868,898 102.31,899 33.571,901 70.627,902 99.365,903 49.384,906 70.627,907 12.13,908 37.254,910 99.365,911 70.627,912 99.365,913 49.384,915 0.592,916 0.335,917 0.186,918 0.108,919 11,920 5,923 1,924 1.2,925 2.445,926 80.855,927 0.2,928 10,929 48.106,933 8.108,934 2.765,935 1.372,936 1.643,937 99.365,938 5.803,939 7.952,943 1.785,945 65.794,946 219.376,947 19.5,956 23.058,957 26.239,958 0.33,959 0.748,960 0.832,961 0.916,962 0.916,963 0.916,964 4.23,965 -0.675,966 5.081,967 -1.129,968 3.714,969 4.407,971 5.889,972 3.635,973 5.489,974 -0.816,975 6.642,976 -1.644,977 3.434,978 4.407,980 6.763,981 3.319,982 6.824,983 -1.276,984 8.298,985 -2.308,986 5.303,987 6.755,989 9.85,990 5.158,991 8.193,992 -1.517,993 10.007,994 -3.257,995 5.74,996 7.509,998 11.519,999 5.564,1000 9.588,1001 -1.761,1002 11.749,1003 -4.205,1004 7.166,1005 9.386,1007 14.152,1008 6.965,1009 11.004,1010 -2,1011 13.516,1012 -5.152,1013 7.958,1014 10.523,1016 16.19,1017 7.729,1018 12.437,1019 -2,1020 15.304,1021 -5.976,1022 9.201,1023 12.192,1025 18.642,1026 8.947,1027 3.072,1029 17.107,1030 -6.894,1031 10.169,1032 13.524,1034 20.842,1035 9.887,1036 2.326,1037 10.153,1038 18.923,1040 11.337,1041 15.099,1043 23.218,1044 11.029,1045 2.024,1046 6.29,1047 20.751,1048 4.489,1049 12.388,1050 16.524,1052 25.486,1053 12.052,1054 1.919,1055 5.796,1056 22.587,1057 3.193,1058 13.527,1059 18.057,1061 27.83,1062 13.163,1063 1.006,1064 5.449,1065 24.431,1066 2.811,1067 14.617,1068 19.524,1070 30.127,1071 14.224,1072 0.132,1073 2.565,1074 26.28,1075 2.651,1076 15.744,1077 21.04,1079 32.456,1080 15.323,1081 -0.434,1082 0.313,1083 28.134,1084 1.431,1085 16.852,1086 22.526,1088 34.765,1089 16.401,1090 1003,1091 1744,1092 8.959,1093 15.307,1094 21.188,1095 21.036,1096 21.906,1097 20.982,1098 20.959,1099 29.49,1101 61.132,1102 20.097,1103 5.037,1104 5.116,1105 5.803,1106 5.113,1107 5.072,1108 7.489,1110 17.047,1111 4.982,1112 6.563,1113 1.513,1114 1.503,1115 1.565,1116 1.499,1117 1.497,1118 2.106,1120 4.367,1121 1.436,1122 4.064,1123 4.099,1124 4.032,1125 3.977,1126 5.307,1127 3.985,1128 3.522,1129 3.592,1130 3.443,1131 3.339,1132 4.982,1133 3.358,1134 3.137,1135 3.237,1136 3.026,1137 2.946,1138 4.7,1139 2.948,1140 3.07,1141 3.174,1142 2.883,1143 2.811,1144 4.206,1145 2.825,1146 2.691,1147 2.801,1148 2.485,1149 2.398,1150 3.855,1151 2.409,1152 2.553,1153 2.683,1154 2.286,1155 2.276,1156 3.531,1157 2.262,1158 2.202,1159 2.325,1160 1.986,1161 1.788,1162 3.445,1163 1.812,1164 1.886,1165 2.005,1166 1.674,1167 1.539,1168 2.806,1169 1.555,1170 0.324,1171 0.223,1172 0.464,1173 0.289,1174 0.219,1175 4.537,1176 0.321,1177 3.116,1179 6.498,1180 0.725,1181 4.042,1182 0.213,1183 3.072,1184 4.489,1186 10.153,1187 2.982,1188 2.017,1189 1.991,1190 2.092,1191 2.126,1192 1.208,1193 2.115,1194 1.465,1195 1.402,1196 1.654,1197 1.69,1198 0.683,1199 1.686,1200 1.1,1201 1.026,1202 1.39,1203 1.386,1204 0.338,1205 1.371,1206 1.015,1207 0.914,1208 1.291,1209 1.335,1210 0.105,1211 1.366,1212 0.664,1213 0.541,1214 1.043,1215 0.968,1217 1.002,1218 0.524,1219 0.411,1220 0.879,1221 0.869,1223 0.885,1224 0.122,1226 0.5,1227 0.476,1229 0.485,1232 0.092,1233 0.166,1235 0.161,1236 3.367,1238 4.691,1240 6.221,1242 7.853,1244 9.538,1246 1.995,1250 11.155,1262 14.666,1263 34.293,1264 77.777,1265 86.532,1266 95.287,1267 95.287,1268 95.287,1269 12.494,1270 5.606,1271 77.82,1272 77.82,1273 12,1274 11.729,1275 3.585,1276 2.7,1277 19.04,1278 26,1279 21,1280 0.414,1281 94.855,1282 148.54,1283 223.206,1284 1402,1286 9.422,1287 0.725,1288 0.56,1289 9.422,1290 7.281,1291 6.165,1292 0.44,1293 0.283,1294 3.911,1295 5.963,1296 3.771,1297 3.178,1298 6.165,1299 3.96,1300 5.896,1301 0.295,1302 0.149,1303 5.896,1304 2.988,1305 4.52,1306 0.181,1307 0.076,1308 4.52,1309 1.898,1310 3.9,1311 0.118,1312 0.039,1313 3.9,1314 1.285,1315 3.148,1316 0.077,1317 0.021,1318 3.148,1319 0.865,1320 0.589,1321 38.382,1322 0.334,1323 12.7,1324 1.314,1325 68,1326 185.915,1327 74.383,1328 189.817,1329 264.45,1330 176,1331 79,1332 204.324,1333 84.662,1334 210.464,1335 304.68,1336 197,1337 5.66}
{0 CHEMBL268584,1 1.738,2 9.88,3 2.966,4 8.798,5 98.443,6 8.985,7 0.786,8 3.801,9 3.894,10 3.681,11 3.475,12 4.996,13 3.436,14 4.274,15 4.378,16 4.024,17 3.873,18 5.707,19 3.827,20 4.523,21 4.659,22 4.109,23 4.019,24 5.831,25 3.954,26 4.608,27 4.765,28 4.009,29 3.95,30 5.963,31 3.871,32 4.512,33 4.694,34 3.917,35 3.812,36 5.778,37 3.727,38 4.409,39 4.602,40 3.764,41 3.659,42 5.893,43 3.579,44 4.221,45 4.404,46 3.506,47 3.491,48 5.51,49 3.439,50 4.022,51 4.204,52 3.302,53 3.355,54 5.38,55 3.288,56 0.109,57 0.605,58 7.771,59 3.592,60 22.092,61 3.425,62 0.253,63 0.941,64 10.469,65 5.888,66 46.988,67 6.439,68 0.211,69 1.193,70 19.396,71 8.26,72 26.35,73 8.358,74 0.402,75 1.221,76 20.879,77 8.832,78 73.233,79 8.825,80 0.351,81 1.132,82 20.852,83 7.757,84 62.302,85 8.25,86 0.517,87 0.986,88 22.059,89 7.732,90 82.366,91 8.537,92 0.307,93 0.781,94 15.487,95 5.891,96 59.954,97 6.383,98 0.261,99 0.714,100 11.483,101 4.34,102 47.085,103 4.842,104 17,105 42,106 0.301,107 0.528,108 0.657,109 0.813,110 0.861,111 0.879,112 3.268,113 0.964,114 -4.99,115 -4.89,116 -4.59,119 46.2,139 10,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 11,169 2,170 3,172 3,173 3,175 1,178 14,180 1,182 11,187 1,189 12,191 1,193 9,195 1,196 1,197 1,198 3,200 2,201 8,204 3,205 1,207 5,212 3,215 9,218 3,220 4,221 4,223 2,224 2,229 8,234 6,239 2,241 8,243 2,246 4,248 2,249 2,251 2,254 6,256 2,260 4,265 4,268 2,270 4,273 844,274 16.582,275 16.582,276 16.582,277 16.582,278 16.582,279 13.791,280 10.641,281 9.435,282 17.05,283 13.808,284 13.808,285 13.808,286 13.808,287 13.808,288 9.543,289 11.001,290 4.465,291 14.608,292 3.548,293 2.236,294 1.487,295 0.583,296 0.308,297 0.205,298 3.962,300 1,301 1,302 1,303 545,304 3.162,307 241.642,311 205.349,314 1.494,315 34.736,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 54,327 247,328 4.984,329 5.351,330 7.671,331 4.397,332 3.526,333 4.901,334 2.95,335 13.644,336 3.081,337 4.508,338 3.214,339 6.493,340 4.002,341 3.039,342 4.445,344 10.123,345 2.928,346 4.346,347 3.003,348 6.169,349 3.832,350 2.844,351 4.251,353 9.133,354 2.759,355 3.614,356 2.753,357 5.513,358 3.127,359 2.196,360 3.066,362 6.477,363 2.037,364 3.425,365 2.221,366 5.064,367 2.952,368 2.01,369 2.811,371 5.804,372 1.889,373 3.337,374 2.064,375 5.007,376 2.845,377 1.892,378 2.694,380 5.764,381 1.792,382 3.118,383 1.618,384 4.453,385 2.618,386 1.618,387 2.427,389 4.414,390 1.618,391 3.011,392 1.511,393 4.246,394 2.459,395 1.467,396 2.233,398 3.813,399 1.452,400 2.811,401 1.261,402 3.709,403 2.242,404 1.246,405 1.936,407 2.933,408 1.24,409 2.447,410 1.057,411 3.613,412 1.976,413 1.003,414 1.423,415 2.565,416 0.974,417 2.156,418 0.766,419 3.198,420 1.651,421 0.654,422 0.98,423 1.534,424 0.651,425 1.396,426 0.47,427 3.021,428 0.926,429 -0.006,430 -0.008,431 -0.014,432 -0.005,433 1.032,434 0.012,435 2.716,436 0.526,437 -0.442,438 -0.576,439 -1.113,440 -0.408,441 1,442 -0.265,443 2.607,444 0.477,445 -0.456,446 -0.657,448 -1.16,449 -0.437,450 0.97,451 -0.325,452 2.482,453 0.382,454 -0.618,455 -0.927,457 -1.6,458 -0.618,459 12.1,460 0.484,461 0.81,462 0.032,463 40,464 1.6,465 24,466 0.96,467 16,468 0.64,469 14.88,470 0.595,471 25.1,472 0.644,473 30.071,474 1.203,475 7.699,476 0.308,477 4.248,478 0.17,479 0.121,480 0.069,481 0.331,485 0.644,486 0.965,487 0.818,488 0.959,489 0.835,490 0.725,491 0.491,492 0.818,493 0.718,494 0.87,495 0.548,496 0.845,497 0.974,498 1.111,499 1.218,500 1.206,501 0.806,502 1.006,503 1.437,504 1.026,505 1.191,506 1.12,507 1.52,508 1.127,509 1.29,510 1.055,511 1.107,512 1.129,513 1.408,514 1.068,515 0.905,516 0.849,517 1.166,518 1.073,519 1.029,520 0.932,521 1.505,522 0.96,523 0.915,524 0.893,525 1.651,526 0.914,527 0.91,528 1.088,529 1.149,530 1.052,531 0.761,532 1.13,533 6.5,534 0.066,535 4,536 2.25,537 1.933,538 1.187,539 0.61,540 0.347,541 0.209,542 0.169,543 6980,544 20920,545 2.095,546 35.9,548 10,551 4,555 1.681,556 1.935,557 3.267,558 1.776,559 1,560 1,564 67.769,565 1.738,566 3.05,567 3.799,568 4.702,569 4.978,570 5.08,571 2.725,572 4.564,573 4.617,574 3.38,575 1014.04,576 7.988,577 11758,578 1,579 1,581 1,582 206.131,583 1.643,584 4.557,585 0.232,586 0.006,587 0.095,588 0.05,589 0.051,590 0.037,591 0.02,592 0.014,593 0.01,594 0.011,595 0.526,596 0.17,597 1,598 0.609,599 118.749,600 -0.009,601 0.132,602 0.165,603 0.083,604 -0.249,605 0.124,606 0.307,607 0.192,608 0.113,609 0.075,610 0.237,611 0.02,612 -0.114,613 -0.088,614 -0.134,615 -0.125,616 0.029,617 -0.074,618 -0.194,619 -0.075,620 -0.167,621 -0.103,622 -0.166,623 -0.181,624 -0.15,625 -0.09,626 -0.006,627 -0.08,628 -0.199,629 -0.078,630 0.345,631 0.113,632 0.029,633 0.025,634 0.29,635 0.094,636 -0.209,637 -0.09,638 0.002,639 0.052,640 -0.22,641 0.083,642 -0.007,643 -0.064,644 -0.289,645 -0.167,646 0.069,647 -0.212,648 4.608,649 5.993,650 0.8,651 19.552,652 1.014,653 1.113,654 3.76,655 14.138,656 0.728,657 3.367,658 3.761,659 4.06,660 4.317,661 4.595,662 4.7,663 4.812,664 4.905,665 4.977,666 4.97,667 5.657,668 0.701,669 350.43,670 3.367,671 4.949,672 5.826,673 6.735,674 7.629,675 8.54,676 9.44,677 10.351,678 11.254,679 12.167,680 10.3,684 2,690 2,694 4,695 10,696 2,700 4,702 22,711 2,718 39,719 24,720 3,721 28,723 42,724 18,725 18,726 6,727 10,729 4,730 6,741 18,744 2,747 1,748 2,753 1,754 1,757 14,758 6,759 4,760 7,761 1,764 4,769 0.5,770 2,776 1,781 4,785 2,802 2,804 1,810 25,811 2,813 1,829 5.1,832 2,836 12.917,837 6.9,838 5.25,839 2.082,840 4.474,841 1.593,842 1.077,843 3.514,844 12.021,845 3.738,846 4.489,847 5.152,848 5.78,849 6.436,850 6.848,851 7.292,852 7.697,853 8.098,854 8.295,855 0.857,856 45,857 9.469,859 4.473,860 7.99,861 17.223,863 14.748,865 2.49,866 62.25,870 117.711,871 118,872 99.365,874 44.313,876 6.046,877 111.954,878 162.024,879 99.365,882 166.603,883 77.884,884 12.964,885 4.227,886 117.711,888 117.711,889 211.319,890 44.313,891 6.046,893 117.711,894 44.313,897 4.043,898 173.705,899 39.617,901 117.711,902 143.678,903 118,905 6.046,906 117.711,907 17.192,908 94.762,910 143.678,911 117.711,912 143.678,913 118,915 0.604,916 0.359,917 0.188,918 0.104,919 23,920 10,921 0.048,922 2,923 2,924 1.2,925 3.604,926 220.408,927 0.2,928 20,929 114.096,932 1,933 15.67,934 5.606,935 2.647,936 2.798,937 143.678,938 17.216,939 7.953,943 0.559,945 65.794,946 379.389,947 41,950 -3.691,951 25.986,956 39.556,957 43.408,958 0.329,959 0.577,960 0.719,961 0.89,962 0.942,963 0.961,964 4.987,965 1.467,966 5.872,967 4.414,968 4.443,969 5.176,970 2.913,971 6.777,972 4.332,973 6.279,974 1.246,975 7.503,976 3.813,977 4.29,978 5.338,980 8.061,981 4.031,982 7.661,983 1.003,984 9.25,985 2.933,986 6.176,987 7.632,988 5.027,989 11.15,990 5.908,991 9.088,992 0.654,993 11.07,994 2.565,995 6.825,996 8.589,998 13.28,999 6.377,1000 10.549,1001 -0.006,1002 12.939,1003 1.534,1004 8.263,1005 10.415,1006 7.185,1007 15.995,1008 7.789,1009 12.037,1010 -0.442,1011 14.843,1012 -0.014,1013 9.255,1014 11.714,1016 18.431,1017 8.605,1018 13.545,1019 -0.456,1020 16.774,1021 -1.113,1022 10.543,1023 13.369,1024 9.348,1025 21.056,1026 9.831,1027 3.526,1028 -0.618,1029 18.726,1030 -1.16,1031 11.678,1032 14.815,1034 23.6,1035 10.803,1036 3.039,1037 13.644,1038 20.694,1039 -1.6,1040 12.921,1041 16.406,1042 11.511,1043 26.207,1044 11.953,1045 2.844,1046 10.123,1047 22.675,1048 4.901,1049 14.115,1050 17.916,1052 28.791,1053 12.994,1054 2.196,1055 9.133,1056 24.666,1057 4.445,1058 15.349,1059 19.485,1060 13.675,1061 31.397,1062 14.113,1063 2.01,1064 6.477,1065 26.666,1066 4.251,1067 16.57,1068 21.023,1070 33.997,1071 15.186,1072 1.892,1073 5.804,1074 28.673,1075 3.066,1076 17.806,1077 22.587,1078 15.838,1079 36.605,1080 16.293,1081 1.618,1082 5.764,1083 30.685,1084 2.811,1085 19.04,1086 24.14,1088 39.212,1089 17.381,1090 6587,1091 11563,1092 18.493,1093 28.387,1094 43.296,1095 44.833,1096 44.311,1097 43.145,1098 42.987,1099 62.332,1100 5.9,1101 132.406,1102 40.841,1103 5.739,1104 7.351,1105 7.358,1106 5.52,1107 5.526,1108 7.901,1109 5.9,1110 21.689,1111 5.081,1112 12.137,1113 1.546,1114 1.601,1115 1.583,1116 1.541,1117 1.535,1118 2.226,1119 0.211,1120 4.729,1121 1.459,1122 4.195,1123 4.187,1124 4.757,1125 4.202,1126 7.715,1127 4.136,1128 4.025,1129 4.054,1130 3.989,1131 3.967,1132 6.999,1133 3.964,1134 3.79,1135 3.768,1136 3.948,1137 3.733,1138 5.306,1139 3.671,1140 3.399,1141 3.457,1142 3.318,1143 3.274,1144 4.982,1145 3.274,1146 3.237,1147 3.257,1148 3.224,1149 3.094,1150 4.884,1151 3.079,1152 3.128,1153 3.235,1154 3.019,1155 2.931,1156 4.663,1157 2.922,1158 3.015,1159 3.063,1160 2.906,1161 2.878,1162 4.274,1163 2.89,1164 2.714,1165 2.81,1166 2.56,1167 2.514,1168 4.109,1169 2.51,1170 0.178,1171 0.191,1172 0.274,1173 0.157,1174 0.126,1175 4.984,1176 0.175,1177 5.351,1178 0.105,1179 7.671,1180 0.487,1181 4.397,1182 0.11,1183 3.526,1184 4.901,1185 2.95,1186 13.644,1187 3.081,1188 2.118,1189 2.121,1190 2.151,1191 2.163,1192 1.348,1193 2.185,1194 2.006,1195 1.986,1196 2.053,1197 2.095,1198 1.199,1199 2.092,1200 1.652,1201 1.67,1202 1.641,1203 1.757,1204 0.835,1205 1.789,1206 1.368,1207 1.321,1208 1.501,1209 1.545,1210 0.51,1211 1.551,1212 1.15,1213 1.126,1214 1.297,1215 1.386,1216 0.36,1217 1.371,1218 1.049,1219 0.989,1220 1.286,1221 1.317,1222 0.289,1223 1.348,1224 1.003,1225 0.945,1226 1.093,1227 1.163,1228 0.079,1229 1.196,1230 0.686,1231 0.597,1232 0.979,1233 0.969,1234 0.002,1235 1.002,1236 4.043,1238 5.416,1240 6.999,1242 8.673,1244 10.391,1250 11.428,1262 27.336,1263 67.769,1264 118.937,1265 148.157,1266 183.376,1267 194.131,1268 198.131,1269 45.616,1270 7.546,1271 111.96,1272 120.34,1273 24,1274 12.682,1275 4.644,1276 3.807,1277 35.907,1278 84,1279 83,1280 0.211,1281 170.886,1282 280.61,1283 408.721,1284 19048,1286 17.604,1287 0.704,1288 0.555,1289 17.854,1290 13.864,1291 11.948,1292 0.427,1293 0.321,1294 7.571,1295 10.84,1296 7.288,1297 6.026,1298 12.736,1299 9,1300 11.624,1301 0.277,1302 0.181,1303 12.943,1304 7.608,1305 9.902,1306 0.174,1307 0.102,1308 11.217,1309 5.805,1310 8.238,1311 0.111,1312 0.056,1313 9.308,1314 4.109,1315 6.775,1316 0.069,1317 0.031,1318 7.865,1319 3.081,1320 0.324,1321 81.966,1322 0.233,1323 23.897,1324 0.599,1325 140,1326 410.246,1327 190.024,1328 429.067,1329 590.72,1330 394,1331 169,1332 419.077,1333 224.503,1334 465.053,1335 682.44,1336 437,1337 8.4}
{0 CHEMBL268870,1 1.493,2 8.619,3 2.862,4 8.193,5 85.149,6 6.937,7 0.522,8 3.808,9 3.946,10 3.311,11 3.322,12 4.892,13 3.295,14 4.339,15 4.524,16 3.658,17 3.728,18 5.355,19 3.666,20 4.591,21 4.807,22 3.72,23 3.891,24 5.494,25 3.801,26 4.702,27 4.943,28 3.619,29 3.893,30 5.603,31 3.765,32 4.704,33 4.968,34 3.462,35 3.835,36 5.553,37 3.682,38 4.669,39 4.966,40 3.277,41 3.7,42 5.459,43 3.53,44 4.428,45 4.725,46 3.181,47 3.491,48 5.21,49 3.333,50 4.181,51 4.468,52 3.106,53 3.218,54 5.192,55 3.102,56 0.048,57 0.621,58 9.305,59 3.573,60 10.422,61 5.076,62 0.202,63 0.969,64 16.717,65 6.612,66 24.18,67 9.125,68 0.149,69 1.191,70 21.84,71 7.839,72 19.688,73 11.561,74 0.269,75 1.243,76 25.144,77 8.735,78 36.419,79 12.862,80 0.249,81 1.205,82 25.518,83 8.328,84 35.337,85 12.738,86 0.307,87 1.065,88 25.503,89 7.983,90 39.168,91 12.24,92 0.156,93 0.842,94 19.727,95 6.787,96 22.33,97 10.27,98 0.282,99 0.681,100 15.542,101 4.486,102 30.421,103 7.237,104 11,105 32,106 0.266,107 0.616,108 0.771,109 0.855,110 0.881,111 0.881,112 3.103,113 0.939,114 -4.26,115 -4.2,116 -3.97,119 39,121 4,122 1,124 1,139 4,140 2,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 5,172 3,173 3,175 1,178 12,180 1,182 6,187 1,189 11,191 1,193 5,195 1,196 1,197 1,198 4,200 2,201 7,204 4,205 1,207 5,212 4,215 7,218 4,221 4,226 2,229 6,231 2,234 2,239 2,241 2,243 2,245 2,246 4,248 1,249 1,251 3,256 3,260 2,265 2,270 2,273 518,274 14.248,275 14.248,276 14.248,277 14.248,278 14.248,279 12.668,280 16.667,281 8.369,282 14.598,283 11.303,284 11.303,285 11.303,286 11.303,287 11.303,288 8.92,289 16.815,290 3.903,291 11.784,292 3.864,293 1.897,294 1.031,295 0.555,296 0.409,297 0.409,298 3.785,300 1,301 1,302 1,303 387,304 2.345,307 163.409,311 84.233,314 1.388,315 16.313,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 45,327 181,328 4.419,329 3.28,330 6.503,331 4.056,332 3.085,333 4.092,334 0.86,335 10.183,336 3.002,337 4.202,338 3.125,339 6.156,340 3.827,341 2.856,342 3.804,344 9.104,345 2.773,346 3.555,347 2.472,348 5.296,349 3.315,350 2.352,351 2.833,353 6.805,354 2.266,355 3.328,356 2.222,357 5.062,358 2.972,359 2.037,360 2.564,362 5.803,363 1.898,364 3.217,365 2.198,366 4.973,367 2.908,368 1.957,369 2.334,371 5.757,372 1.855,373 2.917,374 1.841,375 4.311,376 2.48,377 1.53,378 2.086,380 4.001,381 1.444,382 2.801,383 1.489,384 3.709,385 2.412,386 1.413,387 1.897,389 3.022,390 1.411,391 2.091,392 1.297,393 3.621,394 1.981,395 1.006,396 1.066,398 2.565,399 0.978,400 1.739,401 0.94,402 3.024,403 1.458,404 0.546,405 0.634,407 1.011,408 0.491,409 1.388,410 0.436,411 2.725,412 1.164,413 0.223,414 0.249,415 0.474,416 0.209,417 1.032,418 0.074,419 2.628,420 0.734,421 -0.211,422 -0.248,423 -0.469,424 -0.198,425 0.854,426 -0.285,427 2.501,428 0.478,429 -0.449,430 -0.553,431 -1.15,432 -0.413,433 0.588,434 -0.442,435 2.23,436 0.233,437 -0.72,438 -0.845,439 -1.649,440 -0.675,441 0.486,442 -0.569,443 2,444 0.147,445 -0.815,446 -0.87,448 -2.069,449 -0.786,450 0.265,451 -0.704,452 1.726,453 0.1,454 -0.877,455 -1.139,457 -2.367,458 -0.856,459 9.933,460 0.473,461 0.503,462 0.024,463 27,464 1.286,465 13.5,466 0.643,467 13.5,468 0.643,469 16.678,470 0.794,471 23.067,472 0.563,473 17.052,474 0.812,475 5.087,476 0.242,477 5.082,478 0.242,479 0.131,481 0.352,485 1.031,486 1.222,487 0.888,488 1.053,489 1.183,490 0.959,491 0.837,492 0.941,493 0.854,494 1.009,495 0.526,496 0.963,497 0.925,498 1.179,499 1.004,500 1.14,501 0.795,502 1.089,503 1.017,504 1.083,505 1.12,506 1.16,507 0.913,508 1.163,509 1.026,510 1.06,511 1.173,512 1.131,513 1.25,514 1.16,515 1.141,516 0.785,517 1.033,518 0.87,519 1.144,520 0.927,521 0.713,522 0.962,523 0.758,524 0.938,525 0.59,526 0.876,527 0.641,528 0.982,529 0.781,530 0.874,531 0.744,532 0.846,533 4.5,534 0.054,535 2.222,536 1.438,537 1.48,538 0.361,539 0.403,540 0.299,541 0.164,542 0.124,543 4243,544 10579,545 2.074,546 48.8,547 7,548 7,551 4,552 2,555 1.632,556 1.938,557 3.105,558 1.874,559 1,560 1,562 1,564 61.221,565 1.493,566 3.461,567 4.327,568 4.803,569 4.949,570 4.949,571 2.553,572 4.202,573 4.367,574 3.235,575 679.404,576 7.478,577 7119.5,578 1,579 1,581 1,582 219.66,583 1.418,584 4.322,585 0.196,586 0.011,587 0.069,588 0.044,589 0.053,590 0.016,591 0.021,592 0.017,593 0.01,594 0.011,595 0.447,596 0.33,597 1,598 0.819,599 94.279,600 -0.107,601 0.028,602 0.03,603 0.053,604 -0.15,605 0.066,606 0.158,607 0.167,608 0.088,609 0.07,610 0.26,611 0.058,612 -0.074,613 -0.112,614 -0.064,615 -0.1,616 -0.041,617 -0.081,618 -0.054,619 -0.084,620 -0.16,621 -0.155,622 -0.021,623 -0.174,624 -0.149,625 -0.082,626 -0.211,627 -0.157,628 -0.253,629 -0.184,630 -0.137,631 0.099,632 -0.041,633 0.075,634 -0.171,635 0.039,636 0.087,637 -0.115,638 0.212,639 0.052,640 0.138,641 0.132,642 0.418,643 -0.058,644 0.226,645 0.043,646 0.343,647 0.099,648 1.394,649 1.998,650 0.762,651 14.889,652 0.995,653 1.135,654 3.03,655 9.18,656 0.648,657 3.178,658 3.497,659 3.761,660 4.025,661 4.248,662 4.234,663 4.317,664 4.419,665 4.543,666 4.466,667 5.207,668 0.61,669 284.4,670 3.178,671 4.71,672 5.557,673 6.435,674 7.298,675 8.178,676 9.047,677 9.929,678 10.801,679 11.682,680 9.8,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 1,718 41,719 12,720 1,721 23,723 43,724 16,725 10,726 2,727 4,729 3,730 4,736 3,737 1,739 4,741 10,742 6,743 1,753 1,754 1,757 20,758 5,759 4,760 5,764 4,769 0.667,770 1,776 1,781 3,785 1,802 2,806 1,810 21,811 2,816 4,818 1,820 1,829 2.4,834 1,836 10.833,837 7.4,838 4.667,839 2.388,840 2.317,841 1.338,842 0.988,843 3.974,844 9.172,845 3.401,846 3.989,847 4.522,848 5.04,849 5.51,850 5.527,851 5.644,852 5.906,853 6.26,854 6.473,855 0.833,856 33,857 7.733,859 3.239,860 7.635,861 15.004,863 12.436,865 2.135,866 44.833,867 0.001,869 1,870 188.338,871 77.525,872 99.365,874 11,877 77.525,878 199.338,879 99.365,880 10.883,881 10.138,882 103.699,883 33.571,884 25.371,885 4.227,886 188.338,888 188.338,889 176.89,890 11,893 188.338,894 11,897 14.794,898 128.525,899 33.571,901 188.338,902 110.365,903 77.525,906 188.338,907 28.736,908 48.788,910 110.365,911 188.338,912 110.365,913 77.525,915 0.578,916 0.344,917 0.192,918 0.103,919 16,920 7,921 0.07,922 3,923 1,924 1.125,925 3.316,926 161.509,927 0.125,928 16,929 92.239,933 14.146,934 5.9,935 2.954,937 110.365,938 8.168,939 8.394,943 5.066,945 65.794,946 376.227,947 29,956 40.803,957 46.524,958 0.279,959 0.646,960 0.808,961 0.896,962 0.924,963 0.924,964 4.635,965 1.006,966 5.541,967 3.022,968 4.174,969 4.673,970 0.908,971 6.344,972 4.101,973 5.83,974 0.546,975 7.094,976 2.565,977 3.761,978 4.477,980 7.209,981 3.649,982 7.133,983 0.223,984 8.744,985 1.011,986 5.759,987 6.834,988 0.739,989 10.298,990 5.627,991 8.468,992 -0.211,993 10.451,994 0.474,995 6.133,996 7.42,998 11.968,999 5.963,1000 9.834,1001 -0.449,1002 12.193,1003 -0.469,1004 7.614,1005 9.281,1006 0.593,1007 14.57,1008 7.432,1009 11.221,1010 -0.72,1011 13.96,1012 -1.15,1013 8.369,1014 10.248,1016 16.589,1017 8.151,1018 12.625,1019 -0.815,1020 15.745,1021 -1.649,1022 9.631,1023 11.885,1024 0.469,1025 19.01,1026 9.399,1027 3.085,1028 -0.877,1029 17.544,1030 -2.069,1031 10.573,1032 13.048,1034 21.185,1035 10.306,1036 2.856,1037 10.183,1038 19.354,1039 -2.367,1040 11.741,1041 14.572,1042 0.366,1043 23.534,1044 11.457,1045 2.352,1046 9.104,1047 21.173,1048 4.092,1049 12.771,1050 15.839,1052 25.778,1053 12.455,1054 2.037,1055 6.805,1056 22.999,1057 3.804,1058 13.902,1059 17.303,1060 0.283,1061 28.1,1062 13.565,1063 1.957,1064 5.803,1065 24.831,1066 2.833,1067 14.973,1068 18.626,1070 30.376,1071 14.607,1072 1.53,1073 5.757,1074 26.668,1075 2.564,1076 16.09,1077 20.058,1078 0.217,1079 32.688,1080 15.7,1081 1.413,1082 4.001,1083 28.509,1084 2.334,1085 17.181,1086 21.413,1088 34.98,1089 16.763,1090 4156,1091 6644,1092 15.315,1093 26.569,1094 34.095,1095 34.635,1096 35.224,1097 34.017,1098 34.012,1099 43.117,1100 1.72,1101 97.452,1102 32.658,1103 5.364,1104 5.28,1105 6.198,1106 5.128,1107 5.085,1108 7.092,1109 1.72,1110 17.077,1111 5.002,1112 9.789,1113 1.482,1114 1.506,1115 1.531,1116 1.479,1117 1.479,1118 1.875,1119 0.075,1120 4.237,1121 1.42,1122 4.022,1123 4.063,1124 3.96,1125 3.929,1126 5.282,1127 3.929,1128 3.884,1129 3.915,1130 3.833,1131 3.789,1132 4.978,1133 3.795,1134 3.537,1135 3.608,1136 3.428,1137 3.362,1138 4.858,1139 3.372,1140 3.249,1141 3.315,1142 3.064,1143 3.025,1144 4.461,1145 3.013,1146 3.188,1147 3.277,1148 3.03,1149 2.966,1150 4.386,1151 2.974,1152 3.099,1153 3.2,1154 2.955,1155 2.867,1156 4.036,1157 2.878,1158 2.858,1159 2.973,1160 2.644,1161 2.657,1162 3.764,1163 2.643,1164 2.783,1165 2.87,1166 2.587,1167 2.583,1168 3.614,1169 2.57,1170 0.192,1171 0.143,1172 0.283,1173 0.176,1174 0.134,1175 4.419,1176 0.178,1177 3.28,1178 0.037,1179 6.503,1180 0.443,1181 4.056,1182 0.131,1183 3.085,1184 4.092,1185 0.86,1186 10.183,1187 3.002,1188 1.979,1189 1.945,1190 2.114,1191 2.099,1192 1.469,1193 2.103,1194 1.859,1195 1.829,1196 1.974,1197 1.976,1198 1.115,1199 1.975,1200 1.49,1201 1.428,1202 1.648,1203 1.712,1204 0.789,1205 1.706,1206 1.201,1207 1.129,1208 1.573,1209 1.513,1210 0.741,1211 1.533,1212 1.191,1213 1.113,1214 1.5,1215 1.422,1216 0.574,1217 1.445,1218 1.043,1219 0.957,1220 1.323,1221 1.352,1222 0.401,1223 1.359,1224 0.843,1225 0.756,1226 1.206,1227 1.156,1228 0.165,1229 1.192,1230 0.794,1231 0.697,1232 1.11,1233 1.021,1234 0.084,1235 1.053,1236 3.85,1238 5.165,1240 6.688,1242 8.31,1244 9.979,1246 1.712,1250 11.658,1252 3.875,1254 5.43,1256 0.531,1262 25.015,1263 61.221,1264 141.885,1265 177.395,1266 196.905,1267 202.905,1268 202.905,1269 28.964,1270 6.854,1271 87.05,1272 87.05,1273 18,1274 12.219,1275 3.7,1276 2.807,1277 32.194,1278 66,1279 58,1280 0.246,1281 155.677,1282 263.43,1283 371.611,1284 7934,1286 14.82,1287 0.706,1288 0.58,1289 14.82,1290 12.173,1291 10.169,1292 0.442,1293 0.313,1294 7.106,1295 9.814,1296 6.913,1297 5.746,1298 10.169,1299 7.197,1300 9.105,1301 0.285,1302 0.172,1303 9.105,1304 5.517,1305 7.594,1306 0.181,1307 0.098,1308 7.594,1309 4.125,1310 6.546,1311 0.119,1312 0.056,1313 6.546,1314 3.087,1315 5.235,1316 0.076,1317 0.033,1318 5.235,1319 2.275,1320 0.378,1321 63.523,1322 0.256,1323 20.639,1324 0.692,1325 110,1326 283.65,1327 119.262,1328 279.026,1329 387.3,1330 262,1331 129,1332 290.869,1333 137.652,1334 297.619,1335 431.51,1336 279,1337 6.921}
{0 CHEMBL269235,1 1.695,2 10.125,3 3.009,4 9.055,5 98.929,6 9.657,7 0.654,8 3.798,9 3.925,10 3.576,11 3.387,12 5.01,13 3.366,14 4.257,15 4.413,16 4.006,17 3.773,18 5.48,19 3.724,20 4.49,21 4.659,22 4.064,23 3.908,24 5.654,25 3.844,26 4.56,27 4.76,28 4.031,29 3.873,30 5.753,31 3.791,32 4.612,33 4.841,34 3.789,35 3.766,36 5.821,37 3.666,38 4.466,39 4.722,40 3.795,41 3.569,42 5.601,43 3.474,44 4.209,45 4.441,46 3.535,47 3.483,48 5.431,49 3.374,50 4.134,51 4.355,52 3.59,53 3.472,54 5.2,55 3.355,56 0.074,57 0.62,58 5.288,59 3.103,60 12.558,61 3.757,62 0.199,63 0.943,64 11.09,65 5.778,66 23.914,67 7.313,68 0.249,69 1.134,70 22.078,71 7.069,72 34.536,73 8.193,74 0.214,75 1.185,76 21.085,77 7.915,78 31.406,79 9.948,80 0.46,81 1.173,82 31.775,83 7.906,84 61.962,85 9.31,86 0.414,87 0.936,88 26.137,89 7.224,90 60.401,91 9.095,92 0.329,93 0.766,94 19.257,95 5.977,96 51.019,97 7.799,98 0.201,99 0.73,100 13.915,101 5.261,102 30.593,103 6.565,104 26,105 37,106 0.298,107 0.671,108 0.803,109 0.889,110 0.889,111 0.889,112 3.228,113 0.934,114 -4.92,115 -4.82,116 -4.53,117 1,119 42.5,120 1,121 1,139 6,140 3,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 8,169 1,170 4,172 3,173 4,175 4,178 11,180 1,182 4,187 5,189 8,191 1,193 7,195 1,196 1,197 1,198 6,200 2,201 6,204 4,205 1,207 5,210 2,211 1,212 4,214 1,215 5,218 3,221 2,226 3,229 7,231 1,233 2,234 2,236 1,237 1,238 1,239 1,240 1,241 8,243 1,246 2,251 1,254 7,256 1,260 4,262 1,263 1,265 3,268 6,270 3,273 788,274 15.74,275 15.74,276 15.74,277 15.74,278 15.74,279 13.4,280 18.978,281 9.158,282 16.108,283 12.828,284 12.828,285 12.828,286 12.828,287 12.828,288 9.346,289 25.028,290 4.371,291 13.485,292 3.627,293 1.506,294 0.757,295 0.269,296 0.269,297 0.269,298 3.905,300 1,301 1,302 1,303 517,304 3,307 206.308,311 107.147,314 1.552,315 24.188,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51.25,327 243,328 4.656,329 3.638,330 6.836,331 4.193,332 3.215,333 4.617,334 1.987,335 11.239,336 3.145,337 4.08,338 3.271,339 5.845,340 3.7,341 2.724,342 3.663,343 0.324,344 8.102,345 2.66,346 3.931,347 2.948,348 5.567,349 3.505,350 2.559,351 3.43,353 7.581,354 2.417,355 3.597,356 2.639,357 5.119,358 3.184,359 2.234,360 2.882,362 6.147,363 2.101,364 3.45,365 2.378,366 5.045,367 2.972,368 2.027,369 2.853,371 5.832,372 1.916,373 3.348,374 2.154,375 4.93,376 2.899,377 1.965,378 2.641,380 5.653,381 1.82,382 3.148,383 2.036,384 4.578,385 2.686,386 1.735,387 2.34,389 4.733,390 1.54,391 2.697,392 1.568,393 4.17,394 2.292,395 1.32,396 1.767,398 3.423,399 1.276,400 2.657,401 1.294,402 3.48,403 2.163,404 1.18,405 1.727,407 2.588,408 1.123,409 1.674,410 0.799,411 3.135,412 1.338,413 0.373,414 0.458,415 0.943,416 0.358,417 1.202,418 0.545,419 2.824,420 0.856,421 -0.104,422 -0.13,423 -0.275,424 -0.099,425 1.186,426 0.18,427 2.738,428 0.84,429 -0.163,430 -0.203,431 -0.421,432 -0.16,433 1.01,434 0.118,435 2.552,436 0.534,437 -0.402,438 -0.517,439 -0.979,440 -0.221,441 0.886,442 -0.071,443 2.142,444 0.347,445 -0.443,446 -0.563,448 -1.112,449 -0.39,450 0.688,451 -0.306,452 2,453 0.316,454 -0.647,455 -0.801,457 -1.567,458 -0.619,459 12.167,460 0.507,461 0.736,462 0.031,463 34.25,464 1.427,465 19,466 0.792,467 15.25,468 0.635,469 18.492,470 0.771,471 24.433,472 0.611,473 23.36,474 0.973,475 6.591,476 0.275,477 4.844,478 0.202,479 0.244,481 0.37,485 0.908,486 1.089,487 0.499,488 0.697,489 0.876,490 0.739,491 0.416,492 0.942,493 0.554,494 0.796,495 0.457,496 0.829,497 1.278,498 1.156,499 0.997,500 1.012,501 1.173,502 1.028,503 0.85,504 1.291,505 0.708,506 1.092,507 0.726,508 1.124,509 1.538,510 0.915,511 1.004,512 1.047,513 1.626,514 1.132,515 1.297,516 0.851,517 0.511,518 0.792,519 1.601,520 0.842,521 0.618,522 0.743,523 0.676,524 0.818,525 0.789,526 0.9,527 1.08,528 0.825,529 0.692,530 0.781,531 1.123,532 0.941,533 6,534 0.132,535 2.444,536 2.5,537 1.751,538 0.694,539 0.546,540 0.215,541 0.304,542 0.123,543 6282,544 20359,545 2.015,546 40,547 3,548 6,551 5,552 2,555 1.667,556 1.846,557 3.303,558 2.661,559 1,560 1,564 67.781,565 1.695,566 3.816,567 4.565,568 5.053,569 5.053,570 5.053,571 2.742,572 4.335,573 4.558,574 3.46,575 955.04,576 7.855,577 11201.3,578 1,579 1,581 1,582 212.877,583 1.528,584 4.493,585 0.231,586 0.01,587 0.066,588 0.066,589 0.05,590 0.026,591 0.024,592 0.01,593 0.015,594 0.006,595 0.504,596 0.17,597 1,598 0.663,599 114.221,600 -0.176,601 0.074,602 -0.009,603 0.101,604 -0.201,605 0.092,606 0.313,607 0.131,608 0.054,609 0.07,610 0.183,611 0.075,612 -0.273,613 -0.1,614 -0.112,615 -0.088,616 -0.213,617 -0.13,618 0.03,619 -0.293,620 -0.018,621 -0.206,622 0.128,623 -0.187,624 -0.251,625 0.082,626 -0.147,627 -0.141,628 -0.237,629 -0.211,630 -0.031,631 0.027,632 0.113,633 0.105,634 -0.093,635 0.156,636 0.33,637 0.18,638 0.021,639 0.107,640 0.277,641 0.103,642 -0.189,643 0.138,644 0.026,645 0.138,646 -0.197,647 0.036,648 1.773,649 5.312,650 0.667,651 19.736,652 1.009,653 1.126,654 3.689,655 13.605,656 0.71,657 3.296,658 3.638,659 3.871,660 4.159,661 4.331,662 4.357,663 4.369,664 4.443,665 4.5,666 4.407,667 5.989,668 0.675,669 386.28,670 3.296,671 4.844,672 5.687,673 6.575,674 7.433,675 8.325,676 9.19,677 10.084,678 10.955,679 11.85,680 12.5,684 2,687 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,717 1,718 40,719 18,720 2,721 26,722 1,723 42,724 17,725 14,726 6,727 6,729 3,730 4,734 1,739 1,741 15,742 2,744 1,748 1,751 1,753 1,754 1,757 16,758 6,759 5,760 7,761 1,764 5,769 0.667,770 1,776 1,781 3,785 1,790 1,802 2,805 1,806 1,810 24,811 2,816 1,817 1,828 1,829 2.5,832 1,836 13,837 7.376,838 5.194,839 2.152,840 3.27,841 1.466,842 1.018,843 4.693,844 10.284,845 3.597,846 4.263,847 4.844,848 5.48,849 6.029,850 6.29,851 6.59,852 6.944,853 7.26,854 7.213,855 0.857,856 38,857 8.814,859 3.73,860 7.865,861 16.506,863 13.302,865 2.365,866 56.75,869 1,870 129.482,871 94.049,872 163.33,874 25.145,877 140.003,878 154.627,879 117.376,880 8.825,881 20.545,882 122.652,883 63.421,884 16.9,885 4.227,886 129.482,887 45.954,888 129.482,889 211.425,890 25.145,892 45.954,893 129.482,894 25.145,897 33.414,898 144.44,899 33.571,900 45.954,901 129.482,902 142.521,903 140.003,906 129.482,907 28.366,908 65.683,909 63.965,910 124.51,911 129.482,912 142.521,913 140.003,915 0.589,916 0.337,917 0.189,918 0.099,919 18,920 9,921 0.071,922 3,923 1,924 1.125,925 3.552,926 192.667,927 0.125,928 16,929 110.039,933 16.681,934 6.753,935 3.685,936 1.354,937 142.521,938 11.21,939 8.151,943 3.798,945 83.805,946 412.006,947 35.5,951 12.312,954 -0.106,956 40.367,957 45.034,958 0.318,959 0.717,960 0.858,961 0.949,962 0.949,963 0.949,964 4.83,965 1.32,966 5.694,967 4.733,968 4.317,969 4.949,970 2.076,971 6.509,972 4.23,973 6.074,974 1.18,975 7.258,976 3.423,977 4.007,978 4.902,979 1.593,980 7.402,981 3.857,982 7.401,983 0.373,984 8.917,985 2.588,986 5.916,987 7.231,988 3.1,989 10.516,990 5.768,991 8.76,992 -0.104,993 10.633,994 0.943,995 6.347,996 7.95,997 3.168,998 12.243,999 6.161,1000 10.146,1001 -0.163,1002 12.385,1003 -0.275,1004 7.787,1005 9.811,1006 4.312,1007 14.91,1008 7.596,1009 11.554,1010 -0.402,1011 14.166,1012 -0.421,1013 8.585,1014 10.927,1015 4.654,1016 17.028,1017 8.37,1018 12.98,1019 -0.443,1020 15.97,1021 -0.979,1022 9.837,1023 12.59,1024 5.601,1025 19.534,1026 9.612,1027 3.215,1028 -0.647,1029 17.792,1030 -1.112,1031 10.818,1032 13.915,1033 6.091,1034 21.827,1035 10.574,1036 2.724,1037 11.239,1038 19.632,1039 -1.567,1040 11.998,1041 15.493,1042 6.927,1043 24.276,1044 11.74,1045 2.559,1046 8.102,1047 21.484,1048 4.617,1049 13.069,1050 16.923,1051 7.5,1052 26.642,1053 12.793,1054 2.234,1055 7.581,1056 23.349,1057 3.663,1058 14.226,1059 18.467,1060 8.273,1061 29.071,1062 13.933,1063 2.027,1064 6.147,1065 25.223,1066 3.43,1067 15.341,1068 19.947,1069 8.894,1070 31.468,1071 15.03,1072 1.965,1073 5.832,1074 27.106,1075 2.882,1076 16.493,1077 21.479,1078 9.631,1079 33.89,1080 16.163,1081 1.735,1082 5.653,1083 28.995,1084 2.853,1085 17.63,1086 22.984,1087 10.279,1088 36.299,1089 17.281,1090 6141,1091 11161,1092 16.819,1093 28.404,1094 39.167,1095 40.176,1096 40.489,1097 38.861,1098 38.665,1099 52.754,1100 4.622,1101 112.482,1102 36.714,1103 5.525,1104 5.638,1105 6.393,1106 5.264,1107 5.215,1108 7.617,1109 3.497,1110 18.501,1111 5.145,1112 13.626,1113 1.506,1114 1.545,1115 1.557,1116 1.495,1117 1.487,1118 2.029,1119 0.178,1120 4.326,1121 1.412,1122 4.084,1123 4.118,1124 6.88,1125 3.996,1126 7.429,1127 4.005,1128 3.918,1129 3.942,1130 4.056,1131 3.883,1132 5.305,1133 3.864,1134 3.576,1135 3.634,1136 3.781,1137 3.366,1138 4.982,1139 3.396,1140 3.381,1141 3.43,1142 3.508,1143 3.205,1144 4.743,1145 3.214,1146 3.217,1147 3.298,1148 3.278,1149 3.065,1150 4.695,1151 3.055,1152 3.03,1153 3.159,1154 3.085,1155 2.864,1156 4.228,1157 2.794,1158 2.904,1159 2.982,1160 2.834,1161 2.718,1162 3.926,1163 2.739,1164 2.869,1165 2.915,1166 2.747,1167 2.687,1168 3.843,1169 2.697,1170 0.179,1171 0.14,1172 0.263,1173 0.161,1174 0.124,1175 4.656,1176 0.178,1177 3.638,1178 0.076,1179 6.836,1180 0.432,1181 4.193,1182 0.121,1183 3.215,1184 4.617,1185 1.987,1186 11.239,1187 3.145,1188 2.026,1189 2.001,1190 2.088,1191 2.137,1192 1.24,1193 2.123,1194 1.91,1195 1.888,1196 1.999,1197 1.981,1198 1.164,1199 1.997,1200 1.475,1201 1.425,1202 1.612,1203 1.723,1204 0.712,1205 1.694,1206 1.32,1207 1.267,1208 1.563,1209 1.547,1210 0.621,1211 1.549,1212 1.22,1213 1.15,1214 1.469,1215 1.431,1216 0.428,1217 1.455,1218 0.946,1219 0.831,1220 1.264,1221 1.343,1222 0.181,1223 1.341,1224 0.873,1225 0.827,1226 1.11,1227 1.119,1228 0.093,1229 1.127,1230 0.85,1231 0.784,1232 1.044,1233 0.994,1235 1.043,1236 3.97,1238 5.303,1240 6.828,1242 8.45,1244 10.124,1245 3.402,1246 1.868,1250 11.565,1252 0.282,1253 2.916,1262 27.008,1263 67.781,1264 152.638,1265 182.612,1266 202.122,1267 202.122,1268 202.122,1269 40.664,1270 7.015,1271 106.92,1272 106.92,1273 18,1274 12.38,1275 4.248,1276 3.392,1277 39.391,1278 86,1279 78,1280 0.225,1281 175.195,1282 292.19,1283 419.236,1284 9959,1285 2.5,1286 17.267,1287 0.719,1288 0.608,1289 18.267,1290 14.593,1291 11.436,1292 0.44,1293 0.311,1294 7.273,1295 10.527,1296 7.014,1297 5.83,1298 12.013,1299 8.097,1300 10.802,1301 0.292,1302 0.172,1303 11.619,1304 6.37,1305 8.425,1306 0.179,1307 0.089,1308 8.95,1309 4.19,1310 7.578,1311 0.12,1312 0.048,1313 8.116,1314 3.05,1315 5.531,1316 0.074,1317 0.024,1318 5.863,1319 1.823,1320 0.353,1321 79.364,1322 0.244,1323 23.433,1324 0.617,1325 126,1326 366.638,1327 202.522,1328 402.136,1329 538.52,1330 372,1331 147,1332 373.947,1333 184.585,1334 394.949,1335 573.04,1336 371,1337 7.47}
{0 CHEMBL274278,1 1.882,2 9.333,3 2.702,4 7.302,5 85.592,6 10.131,7 0.696,8 3.626,9 3.74,10 3.431,11 3.172,12 4.887,13 3.189,14 4.075,15 4.206,16 3.851,17 3.563,18 5.37,19 3.553,20 4.256,21 4.412,22 4.004,23 3.651,24 5.495,25 3.61,26 4.283,27 4.464,28 3.724,29 3.516,30 5.543,31 3.457,32 4.227,33 4.458,34 3.372,35 3.364,36 5.332,37 3.274,38 4.023,39 4.253,40 3.299,41 3.289,42 5.042,43 3.188,44 3.858,45 4.035,46 3.399,47 3.192,48 5.063,49 3.136,50 3.795,51 3.987,52 3.469,53 3.069,54 5.076,55 3.027,56 0.152,57 0.506,58 3.425,59 2.217,60 14.208,61 2.204,62 0.31,63 0.745,64 7.116,65 4.084,66 22.577,67 4.537,68 0.396,69 0.824,70 16.216,71 5.068,72 30.037,73 5.407,74 0.546,75 0.793,76 15.323,77 5.382,78 42.147,79 6.297,80 0.559,81 0.723,82 16.413,83 4.955,84 48.538,85 5.438,86 0.336,87 0.58,88 16.264,89 4.836,90 30.454,91 6.038,92 0.293,93 0.503,94 11.161,95 3.829,96 23.266,97 4.307,98 0.353,99 0.45,100 10.773,101 3.114,102 27.618,103 3.185,104 17,105 33,106 0.349,107 0.728,108 0.819,109 0.881,110 0.892,111 0.892,112 3.103,113 0.884,114 -4.24,115 -4.18,116 -3.95,119 40.6,125 1,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 2,169 2,170 4,172 3,173 3,175 4,178 3,180 1,182 2,187 3,189 5,191 1,192 1,195 3,196 4,197 1,198 2,200 2,201 3,204 1,205 1,210 2,211 1,212 2,214 1,215 3,218 1,221 2,229 2,234 5,238 1,239 2,240 1,241 2,243 2,246 3,251 1,254 1,256 1,260 3,265 3,270 3,273 527,274 13.878,275 13.878,276 13.878,277 13.878,278 13.878,279 11.822,280 18.204,281 7.979,282 14.348,283 11.322,284 11.322,285 11.322,286 11.322,287 11.322,288 8.261,289 27.438,290 3.784,291 12.231,292 3.118,293 1.074,294 0.586,295 0.25,296 0.188,297 0.188,298 3.779,299 2,300 1,301 1,302 1,303 420,304 2.449,306 43.624,307 119.386,310 81.818,314 1.302,315 22.95,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 46.167,327 196,328 4.638,329 3.319,330 6.78,331 4.165,332 3.188,333 4.608,334 0.657,335 11.107,336 3.116,337 4.214,338 3.265,339 5.951,340 3.731,341 2.828,342 3.869,344 8.323,345 2.54,346 3.715,347 2.62,348 5.332,349 3.286,350 2.361,351 3.157,353 6.764,354 2.174,355 3.51,356 2.4,357 5.182,358 3.09,359 2.183,360 2.825,362 6.346,363 1.889,364 3.405,365 2.134,366 5.063,367 2.923,368 1.98,369 2.781,371 5.79,372 1.858,373 3.045,374 2.066,375 4.753,376 2.668,377 1.709,378 2.22,380 4.954,381 1.625,382 2.82,383 1.918,384 4.043,385 2.306,386 1.414,387 1.949,389 3.525,390 1.199,391 2.307,392 1.014,393 3.589,394 1.844,395 0.87,396 1.226,398 2.128,399 0.844,400 1.875,401 0.845,402 3.267,403 1.58,404 0.655,405 0.776,407 1.609,408 0.591,409 1.348,410 0.628,411 2.696,412 0.899,413 0.108,414 0.128,415 0.24,416 0.069,417 1.095,418 0.04,419 2.574,420 0.645,421 -0.255,422 -0.324,423 -0.673,424 -0.224,425 0.858,426 -0.157,427 2.375,428 0.435,429 -0.467,430 -0.581,431 -1.188,432 -0.392,433 0.718,434 -0.301,435 2.237,436 0.271,437 -0.615,438 -0.751,439 -1.565,440 -0.478,441 0.345,442 -0.521,443 2,444 0.04,445 -0.883,446 -1.082,448 -2.321,449 -0.728,450 0.093,451 -0.92,452 1.88,453 -0.304,454 -1.192,455 -1.482,457 -3.058,458 -1.018,459 10.262,460 0.489,461 0.63,462 0.03,463 30,464 1.429,465 15.5,466 0.738,467 14.5,468 0.69,469 14.194,470 0.676,471 22.138,472 0.692,473 19.694,474 0.938,475 5.973,476 0.284,477 4.069,478 0.194,479 0.217,481 0.39,485 0.979,486 1.191,487 0.53,488 0.688,489 1.099,490 0.651,491 0.733,492 0.921,493 0.565,494 0.74,495 0.518,496 0.75,497 1.014,498 1.316,499 0.856,500 1.032,501 0.913,502 1.015,503 0.816,504 1.145,505 0.935,506 1.182,507 0.736,508 1.228,509 1.221,510 0.651,511 0.934,512 0.845,513 1.279,514 1.073,515 0.854,516 0.853,517 0.92,518 0.951,519 0.888,520 0.971,521 1.133,522 1.038,523 0.964,524 0.983,525 0.979,526 0.968,527 1.3,528 1.008,529 1.054,530 0.803,531 1.339,532 0.816,533 5,534 0.062,535 2.667,536 1.785,537 1.303,538 0.427,539 0.375,540 0.234,541 0.263,542 0.173,543 4402,544 17325,545 2.045,546 34.4,548 5,549 1,551 5,555 1.628,556 1.881,557 3.184,558 2.892,560 1,562 1,564 60.231,565 1.882,566 3.926,567 4.414,568 4.75,569 4.813,570 4.813,571 2.643,572 4.202,573 4.367,574 3.307,575 694.446,576 7.462,577 7372.71,578 1,579 1,580 1,581 1,582 160,583 1.51,584 4.305,585 0.217,586 0.009,587 0.081,588 0.056,589 0.05,590 0.024,591 0.021,592 0.012,593 0.015,594 0.013,595 0.499,596 0.17,597 1,598 0.665,599 95.067,600 -0.236,601 0.001,602 -0.026,603 0.109,604 -0.325,605 0.108,606 0.1,607 0.19,608 0.066,609 0.124,610 0.184,611 0.088,612 -0.133,613 -0.282,614 0.034,615 -0.108,616 -0.086,617 -0.117,618 0.176,619 -0.17,620 -0.114,621 -0.257,622 0.171,623 -0.289,624 -0.215,625 0.304,626 -0.149,627 0.081,628 -0.296,629 -0.086,630 -0.058,631 0.031,632 0.005,633 0.073,634 -0.071,635 0.138,636 -0.142,637 -0.108,638 -0.036,639 0.008,640 -0.045,641 0.027,642 -0.18,643 -0.044,644 0.037,645 0.169,646 -0.225,647 0.133,648 1.585,649 1.858,650 0.714,651 14.671,652 1.032,653 1.133,654 3.009,655 9.052,656 0.726,657 3.178,658 3.526,659 3.784,660 4.043,661 4.19,662 4.22,663 4.22,664 4.304,665 4.344,666 4.357,667 5.449,668 0.706,669 324.19,670 3.178,671 4.727,672 5.58,673 6.466,674 7.334,675 8.223,676 9.096,677 9.987,678 10.865,679 11.757,680 15.6,684 2,685 1,690 2,694 2,695 4,696 2,698 1,700 6,702 16,711 2,712 1,717 2,718 32,719 16,720 1,721 23,723 34,724 13,725 12,726 3,727 3,729 3,730 4,731 2,741 12,742 1,753 1,754 1,756 1,757 11,758 6,759 5,760 8,761 2,764 5,769 0.667,770 1,776 1,780 1,781 2,784 1,802 2,807 2,810 21,811 2,816 1,817 1,828 2,829 3.1,834 1,836 11.167,837 5.602,838 4.528,839 1.626,840 3.104,841 1.455,842 1.027,843 3.904,844 9.923,845 3.466,846 4.155,847 4.776,848 5.389,849 5.862,850 6.114,851 6.361,852 6.719,853 6.838,854 7.064,855 1,856 32,857 7.648,859 3.259,860 7.931,861 14.15,863 11.397,865 2.431,866 51.056,870 70.627,871 66.425,872 117.376,873 78.297,874 9.507,877 66.425,878 158.431,879 117.376,881 2.106,882 105.963,883 55.989,884 25.024,885 15.998,886 58.856,887 78.297,888 70.627,889 183.801,890 9.507,891 78.297,893 70.627,894 9.507,897 8.412,898 123.807,899 129.879,901 70.627,902 126.884,903 144.722,906 70.627,907 26.257,908 40.168,909 18.011,910 187.17,911 70.627,912 126.884,913 144.722,915 0.594,916 0.347,917 0.183,918 0.094,919 17,920 8,921 0.088,922 3,923 1,924 1.133,925 3.327,926 160.526,927 0.133,928 15,929 90.239,933 14.407,934 5.69,935 2.912,936 1.016,937 126.884,938 6.857,939 7.925,941 5.344,943 3.01,945 83.805,946 342.232,947 31,956 33.018,957 36.25,958 0.376,959 0.785,960 0.883,961 0.95,962 0.963,963 0.963,964 4.7,965 0.87,966 5.587,967 3.525,968 4.205,969 4.84,970 0.623,971 6.409,972 4.063,973 5.948,974 0.655,975 7.159,976 2.128,977 3.892,978 4.808,980 7.326,981 3.633,982 7.281,983 0.108,984 8.826,985 1.609,986 5.814,987 7.155,988 0.317,989 10.422,990 5.574,991 8.65,992 -0.255,993 10.548,994 0.24,995 6.275,996 7.927,998 12.183,999 5.951,1000 10.048,1001 -0.467,1002 12.306,1003 -0.673,1004 7.708,1005 9.776,1006 0.149,1007 14.818,1008 7.396,1009 11.469,1010 -0.615,1011 14.092,1012 -1.188,1013 8.531,1014 10.936,1016 16.955,1017 8.171,1018 12.908,1019 -0.883,1020 15.898,1021 -1.565,1022 9.777,1023 12.585,1024 0.067,1025 19.435,1026 9.417,1027 3.188,1028 -1.192,1029 17.721,1030 -2.321,1031 10.771,1032 13.935,1034 21.732,1035 10.385,1036 2.828,1037 11.107,1038 19.559,1039 -3.058,1040 11.946,1041 15.502,1042 0.03,1043 24.159,1044 11.553,1045 2.361,1046 8.323,1047 21.409,1048 4.608,1049 13.02,1050 16.942,1052 26.521,1053 12.61,1054 2.183,1055 6.764,1056 23.269,1057 3.869,1058 14.17,1059 18.477,1060 0.013,1061 28.933,1062 13.751,1063 1.98,1064 6.346,1065 25.138,1066 3.157,1067 15.282,1068 19.96,1070 31.321,1071 14.849,1072 1.709,1073 5.79,1074 27.014,1075 2.825,1076 16.426,1077 21.484,1078 0.006,1079 33.728,1080 15.982,1081 1.414,1082 4.954,1083 28.896,1084 2.781,1085 17.556,1086 22.987,1088 36.127,1089 17.099,1090 4311,1091 8662,1092 15.027,1093 23.244,1094 34.8,1095 35.723,1096 36.267,1097 34.751,1098 34.595,1099 47.079,1100 1.315,1101 101.573,1102 31.81,1103 5.474,1104 5.319,1105 6.158,1106 5.236,1107 5.188,1108 7.608,1109 1.315,1110 17.998,1111 5.116,1112 11.36,1113 1.513,1114 1.553,1115 1.577,1116 1.511,1117 1.504,1118 2.047,1119 0.057,1120 4.416,1121 1.383,1122 4.088,1123 4.11,1124 4.123,1125 3.942,1126 5.363,1127 3.968,1128 3.899,1129 3.919,1130 4.051,1131 3.839,1132 5.046,1133 3.835,1134 3.449,1135 3.521,1136 3.446,1137 3.221,1138 4.984,1139 3.25,1140 3.177,1141 3.238,1142 3.396,1143 2.935,1144 4.946,1145 2.954,1146 3.075,1147 3.196,1148 3.284,1149 2.79,1150 4.492,1151 2.778,1152 2.878,1153 2.922,1154 2.977,1155 2.728,1156 4.376,1157 2.763,1158 2.762,1159 2.81,1160 2.843,1161 2.605,1162 4.138,1163 2.598,1164 2.515,1165 2.643,1166 2.472,1167 2.206,1168 3.895,1169 2.213,1170 0.202,1171 0.144,1172 0.295,1173 0.181,1174 0.139,1175 4.638,1176 0.2,1177 3.319,1178 0.029,1179 6.78,1180 0.483,1181 4.165,1182 0.135,1183 3.188,1184 4.608,1185 0.657,1186 11.107,1187 3.116,1188 1.89,1189 1.867,1190 1.958,1191 2.012,1192 1.12,1193 1.995,1194 1.805,1195 1.777,1196 1.849,1197 1.949,1198 1.003,1199 1.931,1200 1.472,1201 1.437,1202 1.616,1203 1.695,1204 0.629,1205 1.68,1206 1.033,1207 0.983,1208 1.271,1209 1.374,1210 0.219,1211 1.353,1212 0.957,1213 0.873,1214 1.21,1215 1.356,1216 0.162,1217 1.316,1218 0.868,1219 0.824,1220 1.107,1221 1.117,1222 0.003,1223 1.119,1224 0.819,1225 0.737,1226 1.045,1227 1.01,1229 1.051,1230 0.594,1231 0.505,1232 0.829,1233 0.812,1235 0.851,1236 3.85,1238 5.187,1239 2.398,1240 6.711,1241 4.727,1242 8.324,1243 6.843,1244 9.986,1247 11.842,1250 11.383,1252 0.475,1253 3.204,1262 22.584,1263 60.231,1264 125.635,1265 141.245,1266 152,1267 154,1268 154,1269 29.474,1270 6.819,1271 102.99,1272 102.99,1273 17,1274 12.287,1275 4.087,1276 3.17,1277 32.334,1278 69,1279 63,1280 0.234,1281 147.432,1282 239.41,1283 351.495,1284 7672,1285 6.3,1286 14.983,1287 0.713,1288 0.583,1289 15.983,1290 12.242,1291 10.042,1292 0.437,1293 0.295,1294 5.984,1295 9.082,1296 5.82,1297 4.79,1298 10.619,1299 6.779,1300 9.44,1301 0.286,1302 0.158,1303 10.181,1304 5.205,1305 7.786,1306 0.181,1307 0.086,1308 8.7,1309 3.697,1310 6.515,1311 0.116,1312 0.041,1313 6.916,1314 2.278,1315 4.832,1316 0.074,1317 0.022,1318 5.212,1319 1.43,1320 0.365,1321 69.357,1322 0.258,1323 20.802,1324 0.644,1325 112,1326 366.39,1327 154.796,1328 417.029,1329 551.38,1330 386,1331 132,1332 368.103,1333 170.71,1334 391.422,1335 573.98,1336 367,1337 4.452}
{0 CHEMBL274430,1 1.611,2 12.966,3 2.938,4 8.63,5 110.851,6 7.097,7 0.4,8 4.125,9 4.247,10 3.613,11 3.534,12 5.291,13 3.535,14 4.643,15 4.824,16 3.909,17 3.876,18 5.808,19 3.845,20 4.842,21 5.041,22 3.982,23 4.017,24 5.9,25 3.964,26 4.934,27 5.152,28 3.964,29 4.054,30 5.972,31 3.98,32 4.993,33 5.213,34 3.886,35 4.057,36 5.972,37 3.976,38 4.948,39 5.171,40 3.847,41 4.029,42 5.914,43 3.938,44 4.978,45 5.233,46 3.879,47 3.985,48 5.953,49 3.885,50 4.875,51 5.103,52 3.809,53 3.925,54 5.936,55 3.83,56 0.122,57 0.782,58 12.828,59 4.945,60 17.984,61 6.73,62 0.515,63 1.133,64 23.606,65 8.226,66 61.861,67 11.202,68 0.643,69 1.326,70 29.268,71 9.365,72 60.046,73 13.547,74 0.629,75 1.393,76 32.388,77 10.358,78 69.523,79 14.99,80 0.784,81 1.388,82 35.418,83 10.497,84 76.754,85 15.09,86 0.622,87 1.364,88 33.27,89 10.184,90 67.001,91 14.915,92 0.843,93 1.303,94 35.395,95 10.597,96 78.873,97 15.836,98 0.853,99 1.239,100 31.427,101 9.359,102 81.284,103 13.956,104 53,105 39,106 0.267,107 0.599,108 0.778,109 0.842,110 0.865,111 0.888,112 3.407,113 0.941,114 -3.18,115 -3.17,116 -3.05,119 35.1,121 6,124 2,125 1,139 2,140 2,141 3,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 8,167 1,169 1,170 6,172 3,173 4,175 2,178 7,179 1,180 1,181 2,182 8,187 2,189 4,190 1,191 1,192 1,193 9,195 1,196 1,197 1,198 3,200 2,201 2,202 1,204 2,205 1,207 10,212 4,215 2,216 1,218 3,221 5,226 2,229 4,231 1,233 4,234 2,235 1,236 2,237 2,239 2,241 5,243 2,245 3,246 2,248 1,249 2,254 5,260 4,262 2,263 2,265 1,268 4,269 1,270 1,273 1655,274 19.361,275 19.361,276 19.361,277 19.361,278 19.361,279 17.601,280 26.141,281 11.77,282 20.015,283 14.697,284 14.697,285 14.697,286 14.697,287 14.697,288 11.922,289 33.208,290 5.467,291 15.558,292 4.222,293 2.223,294 1.149,295 0.763,296 0.623,297 0.483,298 4.074,301 1,302 1,303 761,304 4.062,307 219.06,314 2.036,315 35.961,318 1,319 0.67,320 0.83,321 1,322 1,323 0.67,325 0.74,326 65,327 376,328 4.431,329 3.596,330 6.528,331 4.026,332 3.076,333 4.114,334 2.341,335 10.289,336 2.927,337 4.228,338 3.393,339 6.088,340 3.81,341 2.856,342 3.875,343 0.86,344 8.842,345 2.72,346 3.6,347 3.078,348 5.281,349 3.242,350 2.279,351 2.934,352 0.86,353 6.715,354 2.223,355 3.55,356 2.609,357 5.209,358 3.231,359 2.236,360 2.71,361 0.86,362 6.231,363 2.166,364 3.375,365 2.537,366 4.921,367 3.017,368 2.107,369 2.663,370 0.68,371 5.65,372 1.909,373 3.362,374 2.184,375 4.659,376 2.939,377 1.999,378 2.618,380 5.184,381 1.868,382 2.823,383 2.054,384 4.148,385 2.738,386 1.751,387 1.952,389 3.678,390 1.721,391 2.803,392 1.782,393 3.908,394 2.353,395 1.423,396 1.804,398 3.599,399 1.32,400 2.374,401 1.564,402 3.709,403 2.246,404 1.311,405 1.361,407 2.796,408 1.217,409 2.11,410 1.425,411 3.288,412 1.912,413 1.028,414 1.083,415 2.148,416 0.896,417 1.674,418 1.021,419 2.995,420 1.508,421 0.56,422 0.599,423 1.17,424 0.524,425 1.609,426 0.959,427 2.857,428 1.321,429 0.414,430 0.473,431 0.835,432 0.37,433 1.454,434 0.626,435 2.617,436 1.177,437 0.292,438 0.332,439 0.454,440 0.258,441 1.078,442 0.544,443 2.399,444 0.889,445 -0.057,446 -0.062,448 -0.116,449 -0.054,450 0.943,451 0.252,452 2.359,453 0.629,454 -0.308,455 -0.363,457 -0.634,458 -0.285,459 13.267,460 0.457,461 0.647,462 0.022,463 34.5,464 1.19,465 16,466 0.552,467 18.5,468 0.638,469 25.959,470 0.895,471 34.133,472 0.599,473 27.279,474 0.941,475 6.887,476 0.237,477 7.052,478 0.243,479 0.186,481 0.302,485 0.95,486 1.427,487 0.878,488 1.282,489 0.897,490 1.083,491 0.935,492 0.983,493 0.869,494 1.039,495 0.512,496 0.965,497 0.941,498 1.149,499 0.956,500 1.091,501 0.906,502 1.036,503 0.911,504 1.063,505 0.99,506 1.139,507 0.801,508 1.09,509 1.363,510 0.989,511 1.16,512 0.994,513 0.951,514 1.038,515 1.141,516 1.126,517 1.133,518 1.148,519 0.914,520 1.145,521 0.809,522 0.902,523 0.827,524 0.939,525 0.658,526 0.912,527 0.887,528 1.086,529 1.01,530 1.074,531 0.755,532 1.084,533 6,534 0.153,535 2.667,536 1.938,537 1.618,538 0.729,539 0.69,540 0.464,541 0.296,542 0.248,543 10406,544 33127,545 1.938,546 49.1,547 8,548 10,550 1,551 5,552 2,553 2,555 1.72,556 1.794,557 3.615,558 2.494,559 1,560 1,564 91.821,565 1.611,566 3.61,567 4.684,568 5.07,569 5.21,570 5.35,571 3.112,572 4.789,573 4.819,574 3.829,575 1554.69,576 8.404,577 22185.6,579 1,581 1,582 332.475,583 1.475,584 4.773,585 0.2,586 0.007,587 0.068,588 0.047,589 0.041,590 0.02,591 0.02,592 0.013,593 0.009,594 0.009,595 0.436,596 0.17,597 0.88,598 2.149,599 150.161,600 -0.111,601 -0.091,602 0.014,603 -0.057,604 -0.113,605 0.006,606 0.054,607 0.141,608 0.082,609 0.065,610 0.213,611 0.069,612 0.018,613 -0.069,614 -0.002,615 -0.017,616 -0.06,617 -0.012,618 -0.005,619 -0.016,620 -0.037,621 -0.093,622 -0.027,623 -0.073,624 -0.243,625 -0.014,626 -0.168,627 0.02,628 -0.161,629 -0.05,630 -0.171,631 -0.117,632 -0.168,633 -0.117,634 -0.147,635 -0.139,636 0.137,637 0.01,638 0.154,639 0.051,640 0.083,641 0.088,642 0.114,643 -0.109,644 -0.033,645 -0.062,646 0.053,647 -0.087,648 2.429,649 3.532,650 0.414,651 35.317,652 1.011,653 1.141,654 1.952,655 3.811,656 0.622,657 3.434,658 3.689,659 3.871,660 4.078,661 4.248,662 4.263,663 4.331,664 4.407,665 4.466,666 4.454,667 7.558,668 0.596,669 404.52,670 3.434,671 4.934,672 5.74,673 6.586,674 7.416,675 8.272,676 9.116,677 9.978,678 10.83,679 11.696,680 7,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 3,718 57,719 13,720 1,721 30,723 58,724 20,725 10,726 4,727 2,729 2,730 2,739 6,741 11,742 9,744 1,748 1,751 1,754 1,757 28,758 9,759 5,760 9,764 4,769 1,770 5,776 1,781 2,792 1,800 1,802 2,806 2,810 29,811 2,815 1,816 7,818 3,829 8.8,831 1,832 1,834 3,836 16.167,837 10.433,838 6.75,839 3.246,840 2.265,841 1.326,842 0.907,843 9.279,844 9.214,845 3.638,846 4.159,847 4.62,848 5.124,849 5.614,850 5.749,851 5.968,852 6.307,853 6.642,854 6.895,855 0.889,856 41,857 10.666,859 4.291,860 7.96,861 19.992,863 15.337,865 2.46,866 71.333,869 1,870 270.735,871 96.804,872 99.365,874 100.828,877 96.804,878 371.563,879 99.365,880 21.766,881 19.8,882 84.747,883 114.08,884 64.149,885 4.227,886 258.964,888 270.735,889 196.169,890 100.828,893 247.193,894 124.37,897 30.746,898 131.852,899 33.571,901 270.735,902 200.193,903 96.804,906 270.735,907 47.038,908 49.766,910 200.193,911 270.735,912 200.193,913 96.804,915 0.559,916 0.315,917 0.168,918 0.089,919 14,920 8,921 0.207,922 12,924 1,925 4.036,926 228.159,928 12,929 140.881,933 23.036,934 11.682,935 7.255,937 200.193,938 5.334,939 7.979,943 3.749,945 108.478,946 567.733,947 37,951 10.532,954 -0.762,956 57.647,957 65.023,958 0.276,959 0.619,960 0.803,961 0.869,962 0.893,963 0.917,964 4.844,965 1.423,966 5.7,967 3.678,968 4.369,969 4.844,970 2.703,971 6.447,972 4.264,973 6.02,974 1.311,975 7.222,976 3.599,977 3.892,978 4.677,979 2.243,980 7.261,981 3.747,982 7.307,983 1.028,984 8.844,985 2.796,986 5.894,987 6.968,988 3.722,989 10.327,990 5.7,991 8.63,992 0.56,993 10.528,994 2.148,995 6.217,996 7.587,997 4.112,998 11.981,999 5.968,1000 9.985,1001 0.414,1002 12.251,1003 1.17,1004 7.692,1005 9.398,1006 5.216,1007 14.574,1008 7.409,1009 11.362,1010 0.292,1011 14.003,1012 0.835,1013 8.411,1014 10.387,1015 5.889,1016 16.594,1017 8.065,1018 12.756,1019 -0.057,1020 15.776,1021 0.454,1022 9.665,1023 11.996,1024 6.851,1025 19.016,1026 9.286,1027 3.076,1028 -0.308,1029 17.566,1030 -0.116,1031 10.585,1032 13.175,1033 7.625,1034 21.198,1035 10.143,1036 2.856,1037 10.289,1038 19.369,1039 -0.634,1040 11.746,1041 14.685,1042 8.526,1043 23.555,1044 11.267,1045 2.279,1046 8.842,1047 21.183,1048 4.114,1049 12.764,1050 15.965,1051 9.342,1052 25.81,1053 12.225,1054 2.236,1055 6.715,1056 23.006,1057 3.875,1058 13.888,1059 17.424,1060 10.216,1061 28.143,1062 13.308,1063 2.107,1064 6.231,1065 24.836,1066 2.934,1067 14.953,1068 18.757,1069 11.051,1070 30.433,1071 14.316,1072 1.999,1073 5.65,1074 26.671,1075 2.71,1076 16.064,1077 20.189,1078 11.912,1079 32.757,1080 15.382,1081 1.751,1082 5.184,1083 28.512,1084 2.663,1085 17.151,1086 21.553,1087 12.755,1088 35.063,1089 16.415,1090 10661,1091 19128,1092 19.186,1093 35.432,1094 42.72,1095 44.236,1096 44.816,1097 42.6,1098 42.665,1099 53.034,1100 11.202,1101 115.183,1102 40.241,1103 5.37,1104 5.596,1105 6.391,1106 5.095,1107 5.076,1108 7.114,1109 3.925,1110 17.223,1111 4.927,1112 17.999,1113 1.424,1114 1.475,1115 1.494,1116 1.42,1117 1.422,1118 1.768,1119 0.373,1120 3.839,1121 1.341,1122 3.995,1123 4.02,1124 3.952,1125 3.896,1126 7.474,1127 3.905,1128 3.818,1129 3.861,1130 3.783,1131 3.651,1132 6.351,1133 3.676,1134 3.762,1135 3.812,1136 3.625,1137 3.627,1138 5.291,1139 3.617,1140 3.537,1141 3.578,1142 3.41,1143 3.342,1144 4.982,1145 3.346,1146 3.318,1147 3.377,1148 3.194,1149 3.08,1150 4.958,1151 3.101,1152 3.265,1153 3.319,1154 3.117,1155 2.981,1156 4.553,1157 3.004,1158 3.202,1159 3.258,1160 3.007,1161 2.913,1162 4.47,1163 2.921,1164 3.106,1165 3.207,1166 2.948,1167 2.843,1168 4.437,1169 2.852,1170 0.148,1171 0.12,1172 0.218,1173 0.134,1174 0.103,1175 4.431,1176 0.137,1177 3.596,1178 0.078,1179 6.528,1180 0.343,1181 4.026,1182 0.098,1183 3.076,1184 4.114,1185 2.341,1186 10.289,1187 2.927,1188 1.929,1189 1.912,1190 2.029,1191 2.052,1192 1.364,1193 2.04,1194 1.769,1195 1.716,1196 1.999,1197 1.949,1198 1.208,1199 1.963,1200 1.722,1201 1.682,1202 1.812,1203 1.907,1204 1.057,1205 1.887,1206 1.497,1207 1.447,1208 1.752,1209 1.722,1210 0.863,1211 1.729,1212 1.248,1213 1.188,1214 1.575,1215 1.539,1216 0.642,1217 1.549,1218 1.194,1219 1.128,1220 1.569,1221 1.524,1222 0.574,1223 1.538,1224 1.132,1225 1.071,1226 1.427,1227 1.438,1228 0.571,1229 1.429,1230 1.049,1231 0.962,1232 1.334,1233 1.375,1234 0.359,1235 1.369,1236 4.111,1238 5.38,1240 6.836,1242 8.393,1244 10.009,1246 3.122,1250 11.49,1251 8.662,1252 4.409,1254 16.818,1262 33.981,1263 91.821,1264 205.772,1265 266.965,1266 288.965,1267 296.965,1268 304.965,1269 75.838,1270 6.949,1271 142.81,1272 142.81,1273 12,1274 12.246,1275 3.807,1276 3,1277 65.586,1278 125,1279 155,1280 0.245,1281 214.497,1282 377.51,1283 515.133,1284 9160,1286 21.225,1287 0.732,1288 0.58,1289 21.225,1290 16.811,1291 13.939,1292 0.465,1293 0.314,1294 9.209,1295 13.15,1296 8.97,1297 7.512,1298 13.939,1299 9.406,1300 11.968,1301 0.307,1302 0.168,1303 11.968,1304 6.551,1305 9.081,1306 0.193,1307 0.093,1308 9.081,1309 4.358,1310 7.343,1311 0.127,1312 0.05,1313 7.343,1314 2.897,1315 5.628,1316 0.082,1317 0.028,1318 5.628,1319 1.906,1320 0.392,1321 89.368,1322 0.228,1323 28.094,1324 0.652,1325 138,1326 487.007,1327 157.778,1328 453.323,1329 597.73,1330 422,1331 155,1332 419.184,1333 173.174,1334 421.671,1335 605.16,1336 391,1337 4.252}
{0 CHEMBL275893,1 1.572,2 10.13,3 3.005,4 9.029,5 97.391,6 8.459,7 0.808,8 3.768,9 3.893,10 3.497,11 3.411,12 4.94,13 3.37,14 4.222,15 4.363,16 3.874,17 3.822,18 5.382,19 3.745,20 4.415,21 4.588,22 3.904,23 3.915,24 5.46,25 3.81,26 4.446,27 4.642,28 3.849,29 3.856,30 5.525,31 3.71,32 4.424,33 4.676,34 3.608,35 3.687,36 5.389,37 3.516,38 4.185,39 4.435,40 3.344,41 3.528,42 5.014,43 3.352,44 4.005,45 4.211,46 3.328,47 3.388,48 5.04,49 3.299,50 4.058,51 4.295,52 3.225,53 3.354,54 5.067,55 3.261,56 0.047,57 0.616,58 6.922,59 3.071,60 9.859,61 3.617,62 0.156,63 0.974,64 13.691,65 5.989,66 17.059,67 7.094,68 0.092,69 1.135,70 17.816,71 7.227,72 13.767,73 8.519,74 0.201,75 1.176,76 20.039,77 7.935,78 26.068,79 9.601,80 0.286,81 1.12,82 23.479,83 7.097,84 35.24,85 8.517,86 0.095,87 0.816,88 19.924,89 7.327,90 15.274,91 8.991,92 0.078,93 0.722,94 11.961,95 4.491,96 13.967,97 5.803,98 0.112,99 0.748,100 13.986,101 4.858,102 17.143,103 6.164,104 5,105 37,106 0.276,107 0.617,108 0.745,109 0.845,110 0.867,111 0.886,112 3.188,113 0.946,114 -5.08,115 -4.98,116 -4.66,119 44.7,125 1,139 7,140 4,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 10,169 1,170 2,172 3,173 4,175 3,178 15,180 1,182 2,187 1,189 13,191 1,195 1,196 2,197 3,198 2,200 4,201 8,204 1,205 1,207 2,212 2,215 7,218 2,226 2,229 5,234 4,239 5,241 4,243 3,246 4,251 4,254 3,256 2,260 4,265 6,268 1,270 4,273 647,274 15.74,275 15.74,276 15.74,277 15.74,278 15.74,279 13.246,280 11.604,281 9.219,282 16.159,283 12.859,284 12.859,285 12.859,286 12.859,287 12.859,288 9.114,289 13.928,290 4.396,291 13.551,292 3.676,293 1.737,294 1.011,295 0.441,296 0.316,297 0.211,298 3.89,300 1,301 1,302 1,303 520,304 2.449,306 45.036,307 167.144,310 84.935,311 94.275,314 1.365,315 14.545,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48.5,327 233,328 4.638,329 4.439,330 6.78,331 4.153,332 3.188,333 4.608,334 3.272,335 11.108,336 3.078,337 4.406,338 3.291,339 6.183,340 3.911,341 2.922,342 4.336,344 9.226,345 2.893,346 3.729,347 2.927,348 5.345,349 3.295,350 2.381,351 3.166,353 6.853,354 2.17,355 3.621,356 2.699,357 5.218,358 3.159,359 2.237,360 3.042,362 6.518,363 2.046,364 3.406,365 2.298,366 5.063,367 2.899,368 1.98,369 2.788,371 5.79,372 1.818,373 3.118,374 2.065,375 4.755,376 2.664,377 1.719,378 2.427,380 4.963,381 1.618,382 3.054,383 1.643,384 4.413,385 2.618,386 1.618,387 2.232,389 4.364,390 1.616,391 2.894,392 1.618,393 3.622,394 2.401,395 1.409,396 2.083,398 3.017,399 1.393,400 2.311,401 1.445,402 3.589,403 1.793,404 0.876,405 1.232,407 2.13,408 0.796,409 2.202,410 0.878,411 3.286,412 1.71,413 0.75,414 1.067,415 1.782,416 0.713,417 1.802,418 0.842,419 3.123,420 1.42,421 0.534,422 0.666,423 1.304,424 0.464,425 1.146,426 0.448,427 2.69,428 0.728,429 -0.197,430 -0.25,431 -0.52,432 -0.18,433 1.021,434 -0.026,435 2.542,436 0.544,437 -0.386,438 -0.517,439 -0.995,440 -0.353,441 0.882,442 -0.296,443 2.273,444 0.382,445 -0.535,446 -0.662,448 -1.273,449 -0.487,450 0.798,451 -0.584,452 2.1,453 0.381,454 -0.618,455 -0.927,457 -1.597,458 -0.618,459 11.333,460 0.493,461 0.554,462 0.024,463 34.5,464 1.5,465 19.5,466 0.848,467 15,468 0.652,469 15.082,470 0.656,471 22.867,472 0.602,473 22.006,474 0.957,475 6.584,476 0.286,477 4.62,478 0.201,479 0.071,481 0.353,485 1.194,486 0.955,487 0.742,488 0.694,489 1.323,490 0.7,491 0.466,492 0.825,493 0.974,494 0.993,495 0.419,496 0.897,497 1.027,498 1.12,499 1.107,500 1.096,501 0.89,502 1.042,503 0.603,504 1.077,505 1.187,506 1.281,507 0.643,508 1.232,509 1.503,510 0.855,511 1.321,512 1.05,513 1.578,514 1.033,515 0.538,516 0.914,517 1.181,518 1.156,519 0.534,520 0.955,521 0.912,522 1.149,523 0.885,524 1.043,525 0.825,526 1.027,527 1.156,528 1.016,529 0.961,530 0.934,531 1.03,532 0.923,533 4.5,534 0.066,535 2.444,536 1.66,537 1.365,538 0.399,539 0.354,540 0.214,541 0.217,542 0.168,543 6247,544 16612,545 2.168,546 39.5,548 9,549 1,551 5,555 1.653,556 2.06,557 3.3,558 2.675,559 1,560 1,564 59.721,565 1.572,566 3.511,567 4.237,568 4.807,569 4.932,570 5.037,571 2.699,572 4.35,573 4.5,574 3.425,575 866.487,576 7.721,577 9867.77,578 1,579 1,581 1,582 199.421,583 1.302,584 4.469,585 0.173,586 0.005,587 0.066,588 0.046,589 0.046,590 0.019,591 0.018,592 0.01,593 0.011,594 0.009,595 0.403,596 0.17,597 1,598 0.503,599 107.974,600 -0.234,601 0.133,602 0.029,603 0.173,604 -0.328,605 0.128,606 0.374,607 0.225,608 -0.009,609 0.013,610 0.282,611 0.008,612 -0.145,613 -0.104,614 -0.094,615 -0.074,616 -0.121,617 -0.103,618 0.311,619 -0.079,620 -0.073,621 -0.206,622 0.233,623 -0.255,624 -0.311,625 0.164,626 -0.099,627 0.045,628 -0.371,629 -0.032,630 0.125,631 -0.037,632 0.071,633 0.042,634 0.139,635 0.169,636 -0.022,637 -0.196,638 -0.027,639 -0.131,640 0.046,641 -0.07,642 -0.133,643 -0.06,644 -0.062,645 -0.02,646 -0.067,647 0.05,648 1.481,649 1.985,650 0.826,651 16.93,652 1,653 1.118,654 3.852,655 14.839,656 0.723,657 3.296,658 3.638,659 3.932,660 4.234,661 4.419,662 4.454,663 4.511,664 4.615,665 4.691,666 4.691,667 5.877,668 0.682,669 321.44,670 3.296,671 4.844,672 5.707,673 6.597,674 7.473,675 8.366,676 9.245,677 10.139,678 11.022,679 11.916,680 13.2,684 2,688 1,690 2,694 4,695 8,696 2,697 1,700 4,702 21,711 2,718 38,719 21,720 2,721 26,723 41,724 17,725 16,726 3,727 7,729 4,730 6,741 16,742 1,753 1,754 1,757 15,758 4,759 5,760 6,761 1,764 5,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,803 1,804 1,810 23,811 2,816 1,819 1,836 11.167,837 6.65,838 4.944,839 2.04,840 4.282,841 1.577,842 1.08,843 3.597,844 11.707,845 3.624,846 4.327,847 5.001,848 5.662,849 6.2,850 6.495,851 6.832,852 7.214,853 7.459,854 7.529,855 0.857,856 36,857 8.429,859 3.62,860 7.638,861 16.196,863 13.542,865 2.138,866 49.167,870 117.711,871 126.898,872 116.151,876 32.22,877 94.678,878 117.711,879 116.151,881 0.9,882 141.176,883 35.286,884 29.241,885 15.998,886 138.159,888 117.711,889 210.829,891 32.22,893 117.711,897 21.3,898 155.959,899 33.571,900 32.22,901 117.711,902 116.151,903 126.898,906 117.711,907 51.517,908 75.381,909 16.786,910 99.365,911 117.711,912 116.151,913 126.898,915 0.586,916 0.346,917 0.198,918 0.103,919 20,920 8,921 0.073,922 3,923 2,924 1.211,925 3.623,926 188.358,927 0.211,928 19,929 104.042,930 1,933 14.364,934 5.759,935 2.734,936 4.028,937 99.365,938 16.751,939 8.221,940 3.111,943 2.9,945 82.58,946 360.76,947 36.5,956 38.003,957 42.488,958 0.299,959 0.669,960 0.807,961 0.916,962 0.94,963 0.96,964 4.846,965 1.409,966 5.694,967 4.364,968 4.317,969 5.014,970 3.11,971 6.515,972 4.222,973 6.086,974 0.876,975 7.253,976 3.017,977 3.892,978 4.913,980 7.416,981 3.768,982 7.414,983 0.75,984 8.912,985 2.13,986 5.916,987 7.361,988 5.44,989 10.535,990 5.749,991 8.782,992 0.534,993 10.63,994 1.782,995 6.312,996 8.11,998 12.303,999 6.13,1000 10.181,1001 -0.197,1002 12.388,1003 1.304,1004 7.804,1005 10.013,1006 7.807,1007 14.936,1008 7.588,1009 11.605,1010 -0.386,1011 14.175,1012 -0.52,1013 8.595,1014 11.171,1016 17.073,1017 8.367,1018 13.048,1019 -0.535,1020 15.984,1021 -0.995,1022 9.871,1023 12.846,1024 10.177,1025 19.544,1026 9.614,1027 3.188,1028 -0.618,1029 17.81,1030 -1.273,1031 10.851,1032 14.198,1034 21.834,1035 10.577,1036 2.922,1037 11.108,1038 19.65,1039 -1.597,1040 12.039,1041 15.777,1042 12.548,1043 24.251,1044 11.738,1045 2.381,1046 9.226,1047 21.501,1048 4.608,1049 13.107,1050 17.217,1052 26.603,1053 12.782,1054 2.237,1055 6.853,1056 23.362,1057 4.336,1058 14.263,1059 18.755,1060 14.919,1061 29.005,1062 13.909,1063 1.98,1064 6.518,1065 25.231,1066 3.166,1067 15.371,1068 20.235,1070 31.384,1071 14.989,1072 1.719,1073 5.79,1074 27.106,1075 3.042,1076 16.516,1077 21.757,1078 17.29,1079 33.782,1080 16.104,1081 1.618,1082 4.963,1083 28.986,1084 2.788,1085 17.643,1086 23.254,1088 36.174,1089 17.199,1090 5806,1091 9594,1092 17.8,1093 27.483,1094 39.48,1095 42.372,1096 40.136,1097 39.231,1098 39.228,1099 55.295,1100 6.545,1101 114.108,1102 37.21,1103 5.474,1104 6.439,1105 6.467,1106 5.276,1107 5.188,1108 7.608,1109 6.545,1110 17.998,1111 5.078,1112 8.519,1113 1.518,1114 1.63,1115 1.544,1116 1.509,1117 1.509,1118 2.127,1119 0.252,1120 4.389,1121 1.431,1122 4.118,1123 4.158,1124 4.151,1125 4.062,1126 5.321,1127 4.049,1128 4.054,1129 4.079,1130 4.028,1131 3.954,1132 4.981,1133 3.971,1134 3.503,1135 3.549,1136 3.708,1137 3.474,1138 4.895,1139 3.423,1140 3.41,1141 3.478,1142 3.337,1143 3.207,1144 4.766,1145 3.224,1146 3.129,1147 3.232,1148 3.145,1149 2.998,1150 4.314,1151 2.971,1152 3.061,1153 3.135,1154 2.97,1155 2.887,1156 4.103,1157 2.871,1158 2.985,1159 3.06,1160 2.892,1161 2.748,1162 3.868,1163 2.765,1164 2.631,1165 2.692,1166 2.534,1167 2.525,1168 3.771,1169 2.514,1170 0.178,1171 0.171,1172 0.261,1173 0.16,1174 0.123,1175 4.638,1176 0.177,1177 4.439,1178 0.126,1179 6.78,1180 0.427,1181 4.153,1182 0.118,1183 3.188,1184 4.608,1185 3.272,1186 11.108,1187 3.078,1188 2.067,1189 2.051,1190 2.143,1191 2.112,1192 1.287,1193 2.128,1194 1.827,1195 1.793,1196 1.864,1197 2.007,1198 1.073,1199 1.968,1200 1.569,1201 1.525,1202 1.686,1203 1.744,1204 0.761,1205 1.748,1206 1.449,1207 1.405,1208 1.611,1209 1.561,1210 0.667,1211 1.588,1212 1.092,1213 1.037,1214 1.306,1215 1.397,1216 0.378,1217 1.384,1218 1.045,1219 0.966,1220 1.279,1221 1.32,1222 0.327,1223 1.323,1224 0.939,1225 0.837,1226 1.247,1227 1.191,1228 0.032,1229 1.224,1230 0.722,1231 0.658,1232 0.997,1233 0.961,1235 1.003,1236 3.97,1238 5.303,1239 2.398,1240 6.834,1241 4.727,1242 8.46,1243 6.843,1244 10.134,1250 11.61,1252 0.788,1255 1.758,1262 25.928,1263 59.721,1264 133.405,1265 161.015,1266 182.666,1267 187.421,1268 191.421,1269 25.578,1270 7.425,1271 93.61,1272 118.91,1273 23,1274 12.444,1275 4.459,1276 3.524,1277 32.045,1278 83,1279 69,1280 0.192,1281 163.022,1282 259.37,1283 389.535,1284 17595,1286 15.811,1287 0.687,1288 0.57,1289 16.165,1290 13.1,1291 11.204,1292 0.431,1293 0.315,1294 7.23,1295 10.457,1296 6.978,1297 5.778,1298 11.658,1299 8.196,1300 10.29,1301 0.278,1302 0.172,1303 10.867,1304 6.351,1305 8.727,1306 0.175,1307 0.096,1308 9.385,1309 4.816,1310 7.826,1311 0.115,1312 0.053,1313 8.517,1314 3.601,1315 6.067,1316 0.074,1317 0.032,1318 6.886,1319 2.589,1320 0.303,1321 73.61,1322 0.237,1323 22.635,1324 0.521,1325 126,1326 319.108,1327 156.442,1328 344.792,1329 485.92,1330 324,1331 150,1332 359.353,1333 176.033,1334 381.819,1335 560.16,1336 360,1337 4.081}
{0 CHEMBL276734,1 1.465,2 9.435,3 2.272,4 5.161,5 94.678,6 7.805,7 0.808,8 3.797,9 3.938,10 3.404,11 3.349,12 4.973,13 3.347,14 4.255,15 4.418,16 3.774,17 3.752,18 5.415,19 3.722,20 4.475,21 4.675,22 3.798,23 3.848,24 5.515,25 3.795,26 4.522,27 4.737,28 3.724,29 3.802,30 5.613,31 3.721,32 4.552,33 4.821,34 3.406,35 3.693,36 5.533,37 3.569,38 4.384,39 4.672,40 3.27,41 3.562,42 5.199,43 3.424,44 4.146,45 4.381,46 3.371,47 3.47,48 5.147,49 3.393,50 4.136,51 4.366,52 3.36,53 3.412,54 5.216,55 3.354,56 0.058,57 0.655,58 7.505,59 2.828,60 10.634,61 3.754,62 0.167,63 1.009,64 12.514,65 5.249,66 18.623,67 7.037,68 0.106,69 1.178,70 17.022,71 6.278,72 15.825,73 8.805,74 0.236,75 1.209,76 18.339,77 6.792,78 28.295,79 9.552,80 0.364,81 1.145,82 21.341,83 6.353,84 42.539,85 9.237,86 0.162,87 0.905,88 19.02,89 6.777,90 24.32,91 10.014,92 0.104,93 0.794,94 13.328,95 5.034,96 16.827,97 7.21,98 0.109,99 0.807,100 12.957,101 4.248,102 17.935,103 6.142,104 5,105 37,106 0.256,107 0.611,108 0.749,109 0.837,110 0.88,111 0.898,112 3.189,113 0.845,114 -4.31,115 -4.25,116 -4.01,119 43.6,125 1,139 7,140 4,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 10,169 1,170 2,172 3,173 4,175 6,178 11,180 1,182 2,187 5,189 9,191 1,195 1,196 2,197 4,198 4,200 4,201 7,204 1,205 1,210 2,211 1,212 2,214 1,215 7,218 1,226 2,229 6,234 4,238 1,239 5,240 1,241 4,243 2,246 6,251 6,254 1,256 3,260 6,265 6,270 5,273 635,274 15.792,275 15.792,276 15.792,277 15.792,278 15.792,279 13.279,280 16.037,281 9.264,282 16.081,283 12.853,284 12.853,285 12.853,286 12.853,287 12.853,288 9.099,289 25.266,290 4.379,291 13.332,292 3.82,293 1.793,294 1.004,295 0.5,296 0.256,297 0.154,298 3.89,300 1,301 1,302 1,303 483,304 2.449,306 43.372,307 159.133,310 82.075,311 89.637,314 1.285,315 15.672,316 1,317 1,318 0.75,319 0.83,320 0.83,321 0.5,323 0.83,324 1,325 0.68,326 49,327 217,328 4.639,329 3.274,330 6.781,331 4.157,332 3.19,333 4.608,334 0.657,335 11.108,336 3.088,337 4.492,338 3.071,339 6.505,340 4.018,341 3.027,342 4.429,344 10.194,345 2.999,346 3.714,347 2.53,348 5.323,349 3.282,350 2.348,351 3.158,353 6.732,354 2.193,355 3.506,356 2.221,357 5.187,358 3.078,359 2.11,360 2.904,362 6.216,363 2.038,364 3.405,365 2.066,366 5.063,367 2.899,368 1.98,369 2.787,371 5.79,372 1.818,373 3.118,374 1.905,375 4.76,376 2.673,377 1.717,378 2.427,380 4.97,381 1.635,382 3.054,383 1.618,384 4.165,385 2.618,386 1.618,387 2.229,389 3.795,390 1.618,391 2.77,392 1.284,393 3.601,394 2.273,395 1.275,396 1.903,398 2.849,399 1.273,400 2.415,401 1.116,402 3.588,403 1.987,404 1.017,405 1.383,407 2.345,408 0.985,409 2.289,410 0.869,411 3.411,412 1.765,413 0.831,414 1.196,415 2.074,416 0.774,417 1.781,418 0.643,419 3.094,420 1.46,421 0.505,422 0.629,423 1.218,424 0.481,425 1.153,426 -0.006,427 2.684,428 0.755,429 -0.191,430 -0.243,431 -0.499,432 -0.179,433 1.026,434 -0.269,435 2.497,436 0.563,437 -0.379,438 -0.508,439 -0.986,440 -0.356,441 0.882,442 -0.356,443 2.31,444 0.389,445 -0.535,446 -0.658,448 -1.278,449 -0.494,450 0.8,451 -0.618,452 2.11,453 0.382,454 -0.618,455 -0.927,457 -1.478,458 -0.618,459 10.9,460 0.474,461 0.538,462 0.023,463 35,464 1.522,465 19.5,466 0.848,467 15.5,468 0.674,469 13.977,470 0.608,471 23.3,472 0.597,473 23.486,474 1.021,475 7.001,476 0.304,477 4.22,478 0.183,479 0.073,481 0.367,485 1.253,486 1.107,487 0.806,488 0.794,489 1.332,490 0.745,491 0.581,492 0.92,493 0.784,494 0.954,495 0.476,496 0.909,497 1.014,498 1.23,499 0.942,500 1.085,501 0.852,502 1.018,503 0.731,504 1.141,505 1.081,506 1.268,507 0.649,508 1.234,509 1.428,510 0.736,511 1.351,512 0.946,513 1.474,514 1.103,515 0.673,516 0.776,517 0.817,518 0.854,519 0.685,520 0.856,521 0.65,522 0.968,523 0.761,524 0.934,525 0.666,526 0.877,527 1.177,528 1.191,529 0.967,530 1.012,531 1.019,532 0.968,533 4,534 0.087,535 2.667,536 1.91,537 1.165,538 0.406,539 0.34,540 0.254,541 0.219,542 0.128,543 5947,544 15308,545 2.168,546 41,548 9,549 1,551 6,555 1.656,556 2.06,557 3.198,558 3.58,559 1,560 1,562 1,564 57.134,565 1.465,566 3.493,567 4.281,568 4.785,569 5.029,570 5.132,571 2.616,572 4.176,573 4.502,574 3.326,575 841.543,576 7.739,577 9488.55,578 1,579 1,581 1,582 206.131,583 1.302,584 4.469,585 0.154,586 0.01,587 0.072,588 0.052,589 0.036,590 0.018,591 0.016,592 0.011,593 0.01,594 0.008,595 0.386,596 0.17,597 1,598 0.503,599 107.041,600 -0.255,601 0.061,602 0.004,603 0.15,604 -0.336,605 0.121,606 0.302,607 0.181,608 0.056,609 0.025,610 0.239,611 0.008,612 -0.105,613 -0.202,614 -0.038,615 -0.108,616 -0.077,617 -0.071,618 0.252,619 -0.128,620 -0.147,621 -0.308,622 0.221,623 -0.291,624 -0.253,625 0.242,626 -0.33,627 -0.017,628 -0.339,629 -0.155,630 0.065,631 0.06,632 0.228,633 0.197,634 0.063,635 0.23,636 0.136,637 -0.03,638 0.201,639 0.089,640 0.156,641 0.143,642 -0.137,643 -0.19,644 -0.003,645 -0.058,646 -0.033,647 -0.02,648 1.495,649 1.983,650 0.826,651 15.505,652 1.001,653 1.13,654 3.08,655 9.487,656 0.688,657 3.296,658 3.638,659 3.951,660 4.263,661 4.431,662 4.466,663 4.543,664 4.654,665 4.727,666 4.718,667 5.58,668 0.661,669 304.39,670 3.296,671 4.844,672 5.714,673 6.608,674 7.489,675 8.387,676 9.272,677 10.171,678 11.058,679 11.957,680 15.4,684 2,685 1,688 1,690 2,694 4,695 8,696 2,697 1,700 4,702 21,711 2,712 1,718 39,719 21,720 2,721 26,723 42,724 17,725 16,726 3,727 7,729 4,730 6,741 16,742 1,753 1,754 1,757 16,758 5,759 6,760 6,764 6,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,810 23,811 2,816 1,817 1,836 11.167,837 6.733,838 4.972,839 2.11,840 4.32,841 1.582,842 1.086,843 3.37,844 11.745,845 3.624,846 4.327,847 5.016,848 5.681,849 6.201,850 6.491,851 6.846,852 7.228,853 7.479,854 7.564,855 1,856 37,857 8.421,859 3.617,860 7.667,861 16.09,863 13.378,865 2.167,866 49.833,870 117.711,871 97.09,872 134.162,877 97.09,878 117.711,879 134.162,881 2.106,882 141.176,883 53.297,884 30.447,885 15.998,886 105.94,888 117.711,889 231.252,893 117.711,897 22.506,898 157.165,899 51.582,901 117.711,902 134.162,903 97.09,906 117.711,907 21.709,908 75.381,909 34.796,910 99.365,911 117.711,912 134.162,913 97.09,915 0.585,916 0.351,917 0.205,918 0.104,919 20,920 8,921 0.071,922 3,923 2,924 1.211,925 3.576,926 190.998,927 0.211,928 19,929 100.042,933 14,934 5.537,935 2.5,936 3.854,937 117.376,938 16.356,939 8.202,940 3.092,943 2.645,945 100.591,946 348.963,947 36.5,956 39.029,957 44.066,958 0.277,959 0.661,960 0.81,961 0.905,962 0.951,963 0.971,964 4.846,965 1.275,966 5.7,967 3.795,968 4.317,969 5.014,970 0.623,971 6.538,972 4.248,973 6.086,974 1.017,975 7.27,976 2.849,977 3.892,978 4.913,980 7.489,981 3.795,982 7.417,983 0.831,984 8.943,985 2.345,986 5.927,987 7.369,988 0.317,989 10.625,990 5.802,991 8.789,992 0.505,993 10.679,994 2.074,995 6.347,996 8.14,998 12.447,999 6.206,1000 10.195,1001 -0.191,1002 12.456,1003 1.218,1004 7.843,1005 10.043,1006 0.149,1007 15.09,1008 7.676,1009 11.627,1010 -0.379,1011 14.262,1012 -0.499,1013 8.663,1014 11.224,1016 17.257,1017 8.481,1018 13.08,1019 -0.535,1020 16.089,1021 -0.986,1022 9.942,1023 12.899,1024 0.067,1025 19.734,1026 9.736,1027 3.19,1028 -0.618,1029 17.933,1030 -1.278,1031 10.944,1032 14.268,1034 22.036,1035 10.721,1036 3.027,1037 11.108,1038 19.79,1039 -1.478,1040 12.138,1041 15.849,1042 0.03,1043 24.454,1044 11.891,1045 2.348,1046 10.194,1047 21.656,1048 4.608,1049 13.221,1050 17.3,1052 26.808,1053 12.952,1054 2.11,1055 6.732,1056 23.529,1057 4.429,1058 14.382,1059 18.842,1060 0.013,1061 29.207,1062 14.088,1063 1.98,1064 6.216,1065 25.409,1066 3.158,1067 15.499,1068 20.329,1070 31.581,1071 15.181,1072 1.717,1073 5.79,1074 27.293,1075 2.904,1076 16.648,1077 21.854,1078 0.006,1079 33.974,1080 16.305,1081 1.618,1082 4.97,1083 29.181,1084 2.787,1085 17.781,1086 23.357,1088 36.358,1089 17.412,1090 5557,1091 9033,1092 17.8,1093 26.841,1094 39.48,1095 39.263,1096 40.339,1097 39.266,1098 39.233,1099 55.308,1100 1.315,1101 114.581,1102 37.803,1103 5.478,1104 5.274,1105 6.47,1106 5.229,1107 5.19,1108 7.608,1109 1.315,1110 17.999,1111 5.088,1112 8.473,1113 1.518,1114 1.51,1115 1.551,1116 1.51,1117 1.509,1118 2.127,1119 0.051,1120 4.407,1121 1.454,1122 4.129,1123 4.171,1124 4.096,1125 4.051,1126 5.322,1127 4.052,1128 4.054,1129 4.083,1130 4.016,1131 3.95,1132 4.982,1133 3.969,1134 3.514,1135 3.581,1136 3.426,1137 3.398,1138 4.91,1139 3.392,1140 3.425,1141 3.492,1142 3.339,1143 3.217,1144 4.768,1145 3.244,1146 3.222,1147 3.313,1148 3.105,1149 3.011,1150 4.366,1151 3.024,1152 3.087,1153 3.206,1154 2.968,1155 2.81,1156 4.142,1157 2.835,1158 2.934,1159 3.006,1160 2.779,1161 2.712,1162 4.03,1163 2.728,1164 2.665,1165 2.724,1166 2.538,1167 2.573,1168 3.74,1169 2.559,1170 0.178,1171 0.126,1172 0.261,1173 0.16,1174 0.123,1175 4.639,1176 0.177,1177 3.274,1178 0.025,1179 6.781,1180 0.427,1181 4.157,1182 0.119,1183 3.19,1184 4.608,1185 0.657,1186 11.108,1187 3.088,1188 2.072,1189 2.052,1190 2.154,1191 2.134,1192 1.292,1193 2.142,1194 1.828,1195 1.792,1196 1.879,1197 2.009,1198 1.065,1199 1.97,1200 1.573,1201 1.511,1202 1.727,1203 1.787,1204 0.749,1205 1.78,1206 1.467,1207 1.422,1208 1.646,1209 1.6,1210 0.681,1211 1.617,1212 1.157,1213 1.084,1214 1.381,1215 1.451,1216 0.41,1217 1.441,1218 1.024,1219 0.942,1220 1.269,1221 1.366,1222 0.29,1223 1.351,1224 0.928,1225 0.821,1226 1.222,1227 1.189,1228 0.061,1229 1.204,1230 0.726,1231 0.643,1232 1.049,1233 1.026,1235 1.049,1236 3.97,1238 5.303,1239 2.398,1240 6.841,1241 4.727,1242 8.477,1243 6.843,1244 10.163,1250 11.606,1252 0.617,1253 3.462,1262 25.762,1263 57.134,1264 136.215,1265 166.969,1266 186.621,1267 196.131,1268 200.131,1269 25.583,1270 7.425,1271 105.64,1272 105.64,1273 23,1274 12.482,1275 4.459,1276 3.524,1277 31.922,1278 79,1279 68,1280 0.203,1281 158.686,1282 251.86,1283 378.953,1284 17517,1286 15.811,1287 0.687,1288 0.538,1289 15.811,1290 12.375,1291 11.22,1292 0.432,1293 0.282,1294 7.24,1295 10.889,1296 7.106,1297 5.895,1298 11.22,1299 7.328,1300 10.205,1301 0.276,1302 0.146,1303 10.205,1304 5.385,1305 8.765,1306 0.172,1307 0.077,1308 8.765,1309 3.917,1310 8.002,1311 0.114,1312 0.041,1313 8.002,1314 2.854,1315 6.113,1316 0.074,1317 0.022,1318 6.113,1319 1.827,1320 0.315,1321 69.624,1322 0.237,1323 22.407,1324 0.562,1325 126,1326 318.58,1327 135.88,1328 323.731,1329 460.86,1330 304,1331 151,1332 359.986,1333 160.659,1334 368.995,1335 542.1,1336 349,1337 4.227}
{0 CHEMBL276954,1 1.458,2 10.208,3 2.624,4 6.887,5 92.65,6 7.91,7 0.815,8 3.813,9 3.944,10 3.436,11 3.394,12 5,13 3.386,14 4.28,15 4.442,16 3.8,17 3.777,18 5.453,19 3.744,20 4.512,21 4.715,22 3.848,23 3.893,24 5.606,25 3.839,26 4.522,27 4.737,28 3.699,29 3.848,30 5.606,31 3.755,32 4.522,33 4.768,34 3.486,35 3.755,36 5.49,37 3.631,38 4.414,39 4.686,40 3.311,41 3.585,42 5.322,43 3.456,44 4.223,45 4.493,46 3.303,47 3.434,48 5.18,49 3.348,50 4.017,51 4.239,52 3.296,53 3.338,54 5.102,55 3.287,56 0.039,57 0.657,58 7.236,59 3.026,60 10.234,61 3.912,62 0.152,63 1.023,64 12.555,65 5.445,66 19.86,67 7.252,68 0.22,69 1.228,70 17.609,71 6.639,72 26.331,73 9.086,74 0.223,75 1.197,76 18.147,77 7.194,78 32.678,79 9.912,80 0.186,81 1.13,82 19.596,83 7.172,84 32.437,85 10.126,86 0.181,87 0.981,88 18.812,89 6.432,90 30.811,91 9.3,92 0.152,93 0.829,94 15.56,95 5.141,96 24.08,97 7.476,98 0.095,99 0.725,100 11.206,101 3.836,102 17.42,103 5.38,104 5,105 38,106 0.253,107 0.605,108 0.729,109 0.831,110 0.873,111 0.89,112 3.228,113 0.858,114 -4.72,115 -4.63,116 -4.35,119 45,121 2,139 7,140 3,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 13,169 2,170 1,172 3,173 3,178 17,181 3,182 2,184 1,185 1,189 17,192 1,193 2,195 3,196 3,197 1,200 2,201 12,205 1,207 5,209 1,210 1,212 1,215 6,218 1,221 7,226 1,229 1,231 1,234 8,239 2,243 2,246 8,251 3,256 3,260 7,265 4,270 4,273 722,274 16.447,275 16.447,276 16.447,277 16.447,278 16.447,279 13.824,280 12.033,281 9.694,282 16.735,283 13.353,284 13.353,285 13.353,286 13.353,287 13.353,288 9.446,289 10.441,290 4.613,291 13.85,292 3.864,293 1.841,294 1.129,295 0.538,296 0.3,297 0.2,298 3.932,300 1,301 1,302 1,303 544,304 2.449,307 226.72,311 193.163,314 1.458,315 18.047,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51,327 245,328 4.542,329 3.144,330 6.508,331 4.04,332 3.081,333 4.491,335 10.202,336 3.032,337 4.492,338 3.094,339 6.5,340 4.012,341 3.028,342 4.429,344 10.168,345 2.898,346 3.777,347 2.622,348 5.339,349 3.379,350 2.423,351 3.237,353 6.929,354 2.323,355 3.509,356 2.252,357 5.172,358 3.093,359 2.117,360 2.906,362 6.198,363 2.07,364 3.427,365 2.152,366 5.062,367 2.957,368 2.023,369 2.811,371 5.8,372 1.878,373 3.358,374 2.028,375 4.966,376 2.873,377 1.941,378 2.686,380 5.732,381 1.798,382 3.118,383 1.618,384 4.167,385 2.618,386 1.618,387 2.427,389 3.801,390 1.618,391 2.77,392 1.287,393 3.71,394 2.276,395 1.277,396 1.904,398 2.853,399 1.276,400 2.458,401 1.112,402 3.601,403 2.032,404 1.041,405 1.441,407 2.565,408 1.031,409 2.41,410 1.057,411 3.419,412 1.914,413 1,414 1.376,415 2.369,416 0.913,417 1.881,418 0.661,419 3.125,420 1.575,421 0.592,422 0.745,423 1.402,424 0.581,425 1.391,426 0.177,427 2.733,428 0.967,429 0.034,430 0.045,431 0.086,432 0.032,433 1.028,434 -0.224,435 2.569,436 0.608,437 -0.366,438 -0.485,439 -0.925,440 -0.353,441 0.951,442 -0.307,443 2.448,444 0.459,445 -0.459,446 -0.59,448 -1.169,449 -0.423,450 0.882,451 -0.618,452 2.301,453 0.382,454 -0.618,455 -0.927,457 -1.478,458 -0.618,459 11.4,460 0.475,461 0.554,462 0.023,463 37,464 1.542,465 21,466 0.875,467 16,468 0.667,469 14.995,470 0.625,471 24,472 0.6,473 24.566,474 1.024,475 7.176,476 0.299,477 4.527,478 0.189,479 0.07,481 0.351,485 1.063,486 1.136,487 0.764,488 0.863,489 1.221,490 0.787,491 0.495,492 0.969,493 0.751,494 0.991,495 0.481,496 0.924,497 0.863,498 0.936,499 0.925,500 0.958,501 0.791,502 0.952,503 0.682,504 0.979,505 1.088,506 1.193,507 0.676,508 1.198,509 0.963,510 1.013,511 1.176,512 1.167,513 1.007,514 1.196,515 1.025,516 0.923,517 1.061,518 0.992,519 1.032,520 1.024,521 1.029,522 0.87,523 0.833,524 0.772,525 0.876,526 0.774,527 1.169,528 1.113,529 0.921,530 0.933,531 1.036,532 0.899,533 4.5,534 0.103,535 2.667,536 1.5,537 1.493,538 0.444,539 0.283,540 0.236,541 0.209,542 0.177,543 6919,544 18053,545 2.161,546 40,547 2,548 7,550 1,551 4,552 2,555 1.665,556 2.057,557 3.309,558 1.777,559 1,560 1,562 1,564 58.309,565 1.458,566 3.481,567 4.193,568 4.784,569 5.022,570 5.122,571 2.709,572 4.054,573 4.563,574 3.451,575 952.501,576 7.851,577 11218.6,578 1,579 1,580 1,581 1,582 212.877,583 1.281,584 4.532,585 0.167,586 0.006,587 0.07,588 0.038,589 0.047,590 0.018,591 0.013,592 0.011,593 0.009,594 0.009,595 0.389,596 0.17,597 1,598 0.49,599 114.344,600 -0.171,601 -0.008,602 0.02,603 0.083,604 -0.262,605 0.08,606 0.362,607 0.098,608 0.088,609 -0.021,610 0.265,611 -0.009,612 0.105,613 0.093,614 -0.01,615 0.004,616 0.034,617 -0.015,618 0.19,619 0.003,620 -0.157,621 -0.207,622 0.175,623 -0.227,624 -0.087,625 -0.083,626 -0.189,627 -0.168,628 -0.105,629 -0.188,630 -0.108,631 -0.025,632 -0.019,633 0.015,634 -0.129,635 0.012,636 -0.053,637 0.047,638 0.214,639 0.225,640 0.016,641 0.252,642 -0.137,643 -0.108,644 0.038,645 0.023,646 -0.064,647 0.049,648 1.558,649 1.874,650 0.833,651 17.924,652 1.001,653 1.127,654 3.487,655 12.157,656 0.696,657 3.332,658 3.664,659 3.951,660 4.234,661 4.477,662 4.466,663 4.543,664 4.635,665 4.779,666 4.754,667 6.008,668 0.669,669 316.4,670 3.332,671 4.875,672 5.733,673 6.616,674 7.487,675 8.372,676 9.247,677 10.131,678 11.008,679 11.891,680 15,684 2,690 4,694 4,695 8,696 4,700 4,702 22,711 2,718 40,719 22,720 2,721 27,723 43,724 18,725 16,726 3,727 7,729 4,730 6,739 2,741 16,742 2,753 1,754 1,757 16,758 6,759 4,760 6,764 6,769 0.5,774 1,776 1,781 4,785 2,802 2,810 24,811 2,816 2,836 11.667,837 7.133,838 5.194,839 2.306,840 4.538,841 1.605,842 1.057,843 3.619,844 12.044,845 3.664,846 4.357,847 5.024,848 5.672,849 6.281,850 6.536,851 6.902,852 7.272,853 7.694,854 7.683,855 0.857,856 39,857 8.795,859 3.762,860 7.681,861 16.796,863 13.884,865 2.181,866 52.333,869 1,870 141.253,871 99.625,872 132.936,877 99.625,878 141.253,879 132.936,881 5.069,882 132.128,883 78.913,884 23.995,885 4.227,886 129.482,888 141.253,889 232.561,893 142.969,897 20.916,898 142.788,899 67.142,901 141.253,902 132.936,903 99.625,906 141.253,907 24.244,908 75.381,910 132.936,911 141.253,912 132.936,913 99.625,915 0.583,916 0.345,917 0.196,918 0.108,919 20,920 8,921 0.07,922 3,923 2,924 1.2,925 3.693,926 199.238,927 0.2,928 20,929 108.039,933 14.644,934 5.931,935 2.842,936 3.436,937 132.936,938 16.45,939 16.841,943 2.516,945 65.794,946 373.815,947 38,956 40.029,957 45.066,958 0.274,959 0.654,960 0.788,961 0.899,962 0.944,963 0.962,964 4.879,965 1.277,966 5.714,967 3.801,968 4.344,969 5.043,971 6.524,972 4.274,973 6.114,974 1.041,975 7.268,976 2.853,977 3.892,978 4.913,980 7.402,981 3.782,982 7.437,983 1,984 8.921,985 2.565,986 5.932,987 7.38,989 10.513,990 5.798,991 8.798,992 0.592,993 10.634,994 2.369,995 6.293,996 8.087,998 12.23,999 6.126,1000 10.191,1001 0.034,1002 12.386,1003 1.402,1004 7.8,1005 10.012,1007 14.848,1008 7.611,1009 11.607,1010 -0.366,1011 14.165,1012 0.086,1013 8.558,1014 11.132,1016 16.917,1017 8.341,1018 13.042,1019 -0.459,1020 15.964,1021 -0.925,1022 9.837,1023 12.819,1025 19.357,1026 9.599,1027 3.081,1028 -0.618,1029 17.778,1030 -1.169,1031 10.789,1032 14.142,1034 21.573,1035 10.524,1036 3.028,1037 10.202,1038 19.604,1039 -1.478,1040 11.971,1041 15.723,1043 23.943,1044 11.684,1045 2.423,1046 10.168,1047 21.439,1048 4.491,1049 13.013,1050 17.14,1052 26.22,1053 12.7,1054 2.117,1055 6.929,1056 23.281,1057 4.429,1058 14.155,1059 18.674,1061 28.562,1062 13.82,1063 2.023,1064 6.198,1065 25.13,1066 3.237,1067 15.238,1068 20.134,1070 30.864,1071 14.879,1072 1.941,1073 5.8,1074 26.983,1075 2.906,1076 16.364,1077 21.647,1079 33.194,1080 15.982,1081 1.618,1082 5.732,1083 28.84,1084 2.811,1085 17.465,1086 23.127,1088 35.507,1089 17.06,1090 6448,1091 10566,1092 18.493,1093 27.841,1094 40.522,1095 40.491,1096 41.213,1097 40.359,1098 40.35,1099 56.996,1101 116.213,1102 38.902,1103 5.37,1104 5.144,1105 6.197,1106 5.121,1107 5.081,1108 7.491,1110 17.096,1111 5.032,1112 8.834,1113 1.501,1114 1.5,1115 1.526,1116 1.495,1117 1.494,1118 2.111,1120 4.304,1121 1.441,1122 4.105,1123 4.133,1124 4.061,1125 4.061,1126 5.342,1127 4.056,1128 4.009,1129 4.053,1130 3.989,1131 3.846,1132 4.989,1133 3.879,1134 3.589,1135 3.647,1136 3.497,1137 3.473,1138 4.9,1139 3.469,1140 3.442,1141 3.495,1142 3.352,1143 3.324,1144 4.855,1145 3.324,1146 3.227,1147 3.302,1148 3.108,1149 3.063,1150 4.341,1151 3.069,1152 3.1,1153 3.219,1154 2.992,1155 2.8,1156 4.222,1157 2.822,1158 2.948,1159 3.014,1160 2.825,1161 2.776,1162 4.049,1163 2.796,1164 2.688,1165 2.784,1166 2.546,1167 2.575,1168 3.898,1169 2.56,1170 0.168,1171 0.116,1172 0.241,1173 0.15,1174 0.114,1175 4.542,1176 0.166,1177 3.144,1179 6.508,1180 0.378,1181 4.04,1182 0.112,1183 3.081,1184 4.491,1186 10.202,1187 3.032,1188 2.086,1189 2.067,1190 2.174,1191 2.147,1192 1.359,1193 2.154,1194 1.915,1195 1.871,1196 1.966,1197 2.096,1198 1.098,1199 2.063,1200 1.579,1201 1.531,1202 1.757,1203 1.74,1204 0.846,1205 1.75,1206 1.432,1207 1.382,1208 1.619,1209 1.582,1210 0.671,1211 1.596,1212 1.191,1213 1.128,1214 1.387,1215 1.421,1216 0.416,1217 1.426,1218 0.982,1219 0.884,1220 1.265,1221 1.374,1222 0.23,1223 1.354,1224 0.944,1225 0.868,1226 1.2,1227 1.128,1228 0.062,1229 1.157,1230 0.692,1231 0.639,1232 0.985,1233 0.946,1234 0.028,1235 0.966,1236 4.007,1238 5.333,1240 6.868,1242 8.502,1244 10.187,1250 11.454,1252 1.637,1262 26.762,1263 58.309,1264 139.226,1265 167.716,1266 191.367,1267 200.877,1268 204.877,1269 28.329,1270 7.506,1271 103.6,1272 103.6,1273 24,1274 12.426,1275 4.524,1276 3.585,1277 34.017,1278 89,1279 76,1280 0.19,1281 165.351,1282 266.52,1283 395.216,1284 19727,1286 16.518,1287 0.688,1288 0.541,1289 16.518,1290 12.977,1291 11.704,1292 0.433,1293 0.286,1294 7.638,1295 11.378,1296 7.487,1297 6.201,1298 11.704,1299 7.718,1300 10.634,1301 0.28,1302 0.148,1303 10.634,1304 5.639,1305 9.036,1306 0.177,1307 0.079,1308 9.036,1309 4.032,1310 7.913,1311 0.116,1312 0.042,1313 7.913,1314 2.876,1315 6.551,1316 0.075,1317 0.023,1318 6.551,1319 1.997,1320 0.299,1321 72.477,1322 0.233,1323 23.45,1324 0.516,1325 130,1326 343.205,1327 140.213,1328 347.341,1329 491.3,1330 326,1331 154,1332 380.606,1333 164.13,1334 389.417,1335 570.32,1336 368,1337 4.222}
{0 CHEMBL277176,1 1.406,2 8.375,3 4.126,4 17.026,5 101.146,6 6.317,7 0.48,8 3.999,9 4.15,10 3.393,11 3.499,12 5.085,13 3.444,14 4.526,15 4.743,16 3.819,17 3.928,18 5.515,19 3.852,20 4.803,21 4.982,22 3.91,23 4.177,24 5.821,25 4.063,26 5.137,27 5.427,28 3.906,29 4.227,30 6.066,31 4.073,32 5.008,33 5.246,34 3.798,35 4.165,36 5.988,37 4.028,38 4.958,39 5.206,40 3.725,41 4.18,42 5.8,43 4.007,44 5.114,45 5.422,46 3.638,47 4.159,48 5.862,49 3.938,50 5.062,51 5.405,52 3.622,53 3.918,54 5.977,55 3.719,56 0.081,57 0.748,58 12.553,59 4.729,60 16.353,61 7.02,62 0.209,63 1.168,64 21.142,65 8.518,66 27.719,67 12.182,68 0.133,69 1.528,70 27.928,71 10.958,72 29.746,73 16.079,74 0.368,75 1.7,76 39.114,77 13.698,78 67.39,79 20.507,80 0.444,81 1.546,82 35.124,83 11.944,84 75.225,85 17.461,86 0.214,87 1.584,88 32.305,89 12.258,90 39.775,91 18.351,92 0.216,93 1.633,94 37.342,95 13.691,96 45.652,97 20.968,98 0.451,99 1.446,100 36.346,101 10.362,102 78.245,103 17.521,104 86,105 39,106 0.239,107 0.542,108 0.614,109 0.627,110 0.627,111 0.627,112 3.229,113 0.976,114 -4.97,115 -4.88,116 -4.57,119 36.5,120 6,121 1,123 2,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 14,169 1,170 2,172 3,173 3,175 3,178 21,180 1,182 2,187 5,189 16,191 1,193 2,195 1,196 1,197 1,198 9,200 2,201 19,204 2,205 1,207 4,212 4,215 20,218 3,221 4,226 4,229 15,231 3,234 4,239 4,243 4,246 12,249 2,250 1,251 8,253 1,256 8,265 2,270 2,273 770,274 14.46,275 14.46,276 14.46,277 14.46,278 14.46,279 12.932,280 23.082,281 7.985,282 14.667,283 12.308,284 12.308,285 12.308,286 12.308,287 12.308,288 9.974,289 30.577,290 3.804,291 12.663,292 4.295,293 2.514,294 2.088,295 2.011,296 2.011,297 2.011,298 3.873,301 1,302 1,303 403,304 4.062,307 167.629,314 1.292,315 22.058,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 51,327 201,328 4.694,329 3.728,330 7.386,331 4.484,332 3.49,333 4.262,334 0.68,335 12.779,336 3.469,337 4.292,338 3.459,339 7.097,340 4.23,341 3.23,342 3.883,344 11.613,345 3.23,346 4.242,347 3.098,348 6.094,349 3.843,350 2.88,351 3.425,353 8.876,354 2.782,355 3.716,356 2.599,357 5.636,358 3.418,359 2.438,360 3.017,362 7.436,363 2.387,364 3.444,365 2.373,366 5.24,367 3.097,368 2.153,369 2.712,371 6.406,372 2.029,373 3.284,374 2.149,375 4.917,376 2.906,377 1.957,378 2.462,380 5.614,381 1.846,382 2.821,383 1.56,384 4.542,385 2.348,386 1.414,387 1.95,389 4.087,390 1.317,391 2.65,392 1.313,393 4.135,394 2.285,395 1.285,396 1.698,398 3.657,399 1.285,400 1.701,401 0.802,402 3.414,403 1.413,404 0.467,405 0.554,407 1.187,408 0.439,409 1.309,410 0.428,411 2.989,412 0.992,413 0.066,414 0.077,415 0.163,416 0.061,417 0.799,418 -0.313,419 2.873,420 0.395,421 -0.514,422 -0.621,423 -1.242,424 -0.465,425 0.756,426 -0.318,427 2.359,428 0.356,429 -0.635,430 -0.747,431 -1.739,432 -0.604,433 0.58,434 -0.505,435 2.343,436 0.319,437 -0.644,438 -0.852,439 -2.191,440 -0.644,441 0.081,442 -0.932,443 2.319,445 -1,446 -1,448 -3,449 -1,451 -1,452 2,454 -1,455 -1,457 -3,458 -1,459 11.433,460 0.476,461 1.194,462 0.05,463 27.75,464 1.156,465 13.5,466 0.563,467 14.25,468 0.594,469 26.718,470 1.113,471 27.567,472 0.53,473 20.134,474 0.839,475 4.738,476 0.197,477 6.154,478 0.256,479 0.362,480 0.087,481 0.306,485 1.102,486 1.268,487 1.033,488 1.123,489 1.269,490 1.076,491 0.414,492 0.795,493 0.646,494 0.837,495 0.378,496 0.781,497 0.851,498 1.507,499 1.257,500 1.546,501 0.866,502 1.462,503 0.885,504 0.858,505 0.837,506 0.937,507 0.887,508 0.894,509 2.001,510 0.974,511 1.255,512 1.014,513 2.092,514 1.081,515 0.731,516 1.226,517 1.172,518 1.312,519 0.728,520 1.297,521 0.384,522 1.134,523 0.86,524 1.145,525 0.458,526 1.072,527 0.537,528 1.057,529 0.644,530 0.844,531 0.504,532 0.769,533 9,535 3.778,536 2.813,537 2.013,538 1.333,539 0.752,540 0.701,541 0.231,542 0.265,543 4977,544 11411,545 1.839,546 53.8,547 20,548 2,550 1,551 5,555 1.676,556 1.618,557 2.965,558 2.578,560 1,564 73.106,565 1.406,566 3.187,567 3.613,568 3.69,569 3.69,570 3.69,571 2.351,572 3.349,573 4.559,574 3.189,575 880.156,576 7.903,577 10155.5,579 1,581 1,582 296.423,583 1.848,584 4.418,585 0.36,587 0.097,588 0.072,589 0.053,590 0.039,591 0.024,592 0.026,593 0.009,594 0.026,595 0.707,597 1,598 1.02,599 111.733,600 -0.132,601 0.056,602 -0.005,603 0.082,604 -0.25,605 0.057,606 0.296,607 0.364,608 0.333,609 0.304,610 0.284,611 0.316,612 -0.073,613 -0.292,614 -0.274,615 -0.363,616 -0.104,617 -0.342,618 0.09,619 0.073,620 0.133,621 0.057,622 0.124,623 0.096,624 -0.33,625 0.013,626 -0.217,627 0.018,628 -0.324,629 -0.083,630 -0.081,631 -0.17,632 -0.225,633 -0.226,634 -0.065,635 -0.24,636 0.119,637 -0.24,638 0.053,639 -0.137,640 0.06,641 -0.064,642 0.349,643 -0.23,644 0.313,645 0.029,646 0.347,647 0.144,648 1.493,649 4.776,650 0.5,651 17.583,652 0.987,653 1.138,654 3.743,655 14.01,656 0.627,657 3.258,658 3.689,659 3.829,660 4.06,661 4.263,662 4.277,663 4.357,664 4.394,665 4.205,666 4.344,667 5.249,668 0.579,669 328.51,670 3.258,671 4.86,672 5.694,673 6.616,674 7.477,675 8.394,676 9.268,677 10.182,678 11.063,679 11.976,680 7.7,684 2,690 2,695 3,696 2,700 7,702 12,711 2,715 1,718 52,719 12,720 1,721 25,723 53,724 19,725 10,726 4,727 2,729 2,730 2,734 6,735 2,739 1,741 10,742 9,754 1,757 28,758 5,759 5,760 5,764 4,769 1,770 1,776 1,781 2,802 2,806 6,810 24,811 2,815 1,816 1,822 2,829 1.9,831 1,836 14.833,837 11.017,838 4.917,839 2.913,840 2.244,841 1.339,842 0.896,843 4.825,844 8.861,845 3.466,846 4.127,847 4.62,848 5.156,849 5.682,850 5.82,851 6.122,852 6.373,853 6.593,854 6.977,855 1,856 39,857 8.862,859 3.688,860 7.736,861 16.954,863 13.825,865 2.236,866 53.667,868 1,869 1,870 270.735,871 100.455,872 99.365,874 42.683,877 100.455,878 313.419,879 99.365,880 52.951,881 2.535,882 84.747,883 88.026,884 21.79,885 4.227,886 258.964,888 270.735,889 199.82,890 42.683,893 270.735,894 42.683,897 66.432,898 99.817,899 33.571,901 270.735,902 142.049,903 100.455,906 270.735,907 19.504,908 80.951,910 142.049,911 270.735,912 142.049,913 100.455,915 0.621,916 0.329,917 0.161,918 0.09,919 19,920 11,921 0.075,922 4,924 1,925 3.249,926 194.812,928 12,929 88.529,933 18.532,934 6.248,935 4.196,937 142.049,938 5.749,939 8.058,943 4.704,945 108.478,946 513.239,947 31,956 51.338,957 59.185,958 0.247,959 0.559,960 0.634,961 0.647,962 0.647,963 0.647,964 4.779,965 1.285,966 5.82,967 4.087,968 4.369,969 4.812,970 0.655,971 6.746,972 4.322,973 6.076,974 0.467,975 7.479,976 3.657,977 4.511,978 4.966,980 8.157,981 4.466,982 7.452,983 0.066,984 9.252,985 1.187,986 6.188,987 7.058,988 0.356,989 11.142,990 6.122,991 8.855,992 -0.514,993 11.087,994 0.163,995 6.995,996 7.855,998 13.25,999 6.938,1000 10.282,1001 -0.635,1002 12.961,1003 -1.242,1004 8.334,1005 9.577,1006 0.18,1007 15.912,1008 8.265,1009 11.726,1010 -0.644,1011 14.862,1012 -1.739,1013 9.389,1014 10.669,1016 18.274,1017 9.326,1018 13.184,1019 -1,1020 16.782,1021 -2.191,1022 10.634,1023 12.237,1024 0.087,1025 20.84,1026 10.564,1027 3.49,1028 -1,1029 18.716,1030 -3,1031 11.785,1032 13.483,1034 23.299,1035 11.718,1036 3.23,1037 12.779,1038 20.661,1039 -3,1040 13.006,1041 14.979,1042 0.041,1043 25.836,1044 12.934,1045 2.88,1046 11.613,1047 22.615,1048 4.262,1049 14.197,1050 16.308,1052 28.335,1053 14.125,1054 2.438,1055 8.876,1056 24.575,1057 3.883,1058 15.415,1059 17.77,1060 0.019,1061 30.864,1062 15.339,1063 2.153,1064 7.436,1065 26.54,1066 3.425,1067 16.625,1068 19.146,1070 33.38,1071 16.547,1072 1.957,1073 6.406,1074 28.51,1075 3.017,1076 17.846,1077 20.591,1078 0.009,1079 35.909,1080 17.764,1081 1.414,1082 5.614,1083 30.483,1084 2.712,1085 19.066,1086 21.993,1088 38.433,1089 18.981,1090 5222,1091 8039,1092 14.622,1093 32.614,1094 39.506,1095 39.513,1096 40.761,1097 38.672,1098 38.759,1099 48.079,1100 1.36,1101 123.639,1102 37.686,1103 5.474,1104 5.728,1105 6.689,1106 5.553,1107 5.49,1108 7.262,1109 1.36,1110 20.868,1111 5.469,1112 17.901,1113 1.58,1114 1.581,1115 1.63,1116 1.547,1117 1.55,1118 1.923,1119 0.054,1120 4.946,1121 1.507,1122 4.045,1123 4.072,1124 3.992,1125 3.985,1126 6.467,1127 3.983,1128 3.845,1129 3.898,1130 3.805,1131 3.692,1132 5.29,1133 3.712,1134 3.685,1135 3.746,1136 3.541,1137 3.583,1138 4.979,1139 3.566,1140 3.498,1141 3.563,1142 3.352,1143 3.367,1144 4.632,1145 3.357,1146 3.171,1147 3.257,1148 3.048,1149 2.946,1150 4.437,1151 2.963,1152 3.002,1153 3.111,1154 2.857,1155 2.675,1156 4.294,1157 2.708,1158 2.874,1159 3.009,1160 2.703,1161 2.618,1162 4.148,1163 2.584,1164 2.874,1165 3.009,1166 2.499,1167 2.618,1168 3.745,1169 2.57,1170 0.188,1171 0.149,1172 0.295,1173 0.179,1174 0.14,1175 4.694,1176 0.17,1177 3.728,1178 0.027,1179 7.386,1180 0.511,1181 4.484,1182 0.139,1183 3.49,1184 4.262,1185 0.68,1186 12.779,1187 3.469,1188 2.011,1189 1.99,1190 2.121,1191 2.093,1192 1.367,1193 2.101,1194 1.78,1195 1.734,1196 1.959,1197 1.964,1198 1.176,1199 1.945,1200 1.713,1201 1.657,1202 1.902,1203 1.861,1204 1.081,1205 1.898,1206 1.496,1207 1.436,1208 1.696,1209 1.67,1210 0.745,1211 1.692,1212 1.104,1213 1.035,1214 1.417,1215 1.404,1216 0.469,1217 1.393,1218 0.934,1219 0.804,1220 1.417,1221 1.284,1222 0.469,1223 1.308,1224 0.934,1225 0.804,1226 1.417,1227 1.239,1228 0.469,1229 1.308,1230 0.934,1231 0.804,1232 1.417,1233 1.239,1234 0.469,1235 1.308,1236 3.932,1238 5.333,1240 6.901,1242 8.548,1244 10.24,1246 12.577,1250 11.534,1251 10.776,1252 0.596,1258 -0.327,1262 30.122,1263 73.106,1264 165.72,1265 187.854,1266 191.854,1267 191.854,1268 191.854,1269 59.508,1270 6.616,1271 98.05,1272 98.05,1273 12,1274 12.495,1275 3.7,1276 2.807,1277 48.071,1278 75,1279 82,1280 0.323,1281 191.847,1282 327.69,1283 459.867,1284 5143,1286 18.284,1287 0.762,1288 0.643,1289 18.284,1290 15.435,1291 10.892,1292 0.436,1293 0.325,1294 8.065,1295 10.622,1296 7.503,1297 6.441,1298 10.892,1299 8.13,1300 12.033,1301 0.309,1302 0.214,1303 12.033,1304 8.355,1305 7.914,1306 0.176,1307 0.091,1308 7.914,1309 4.097,1310 6.507,1311 0.114,1312 0.048,1313 6.507,1314 2.73,1315 4.955,1316 0.071,1317 0.028,1318 4.955,1319 1.955,1320 0.488,1321 67.368,1322 0.262,1323 22.801,1324 0.946,1325 128,1326 292.064,1327 136.154,1328 298.608,1329 408.57,1330 274,1331 148,1332 309.002,1333 155.654,1334 325.5,1335 466.13,1336 299,1337 4.462}
{0 CHEMBL277217,1 1.695,2 10.043,3 2.595,4 6.735,5 93.838,6 8.186,7 0.68,8 3.8,9 3.922,10 3.491,11 3.371,12 4.988,13 3.335,14 4.266,15 4.431,16 3.845,17 3.74,18 5.422,19 3.674,20 4.387,21 4.537,22 3.938,23 3.876,24 5.486,25 3.796,26 4.517,27 4.702,28 3.93,29 3.882,30 5.65,31 3.757,32 4.599,33 4.862,34 3.618,35 3.795,36 5.545,37 3.629,38 4.366,39 4.604,40 3.514,41 3.618,42 5.316,43 3.465,44 4.219,45 4.459,46 3.317,47 3.491,48 5.148,49 3.356,50 4.185,51 4.438,52 3.328,53 3.354,54 5.188,55 3.261,56 0.055,57 0.637,58 7.865,59 3.46,60 10.728,61 4.17,62 0.252,63 0.971,64 16.759,65 6.485,66 24.686,67 7.554,68 0.144,69 1.119,70 17.765,71 6.969,72 14.192,73 8.11,74 0.258,75 1.232,76 22.264,77 8.294,78 31.328,79 10.098,80 0.355,81 1.214,82 28.351,83 8.516,84 42.506,85 10.748,86 0.251,87 0.968,88 22.667,89 6.953,90 27.527,91 8.997,92 0.137,93 0.811,94 17.216,95 6.257,96 19.832,97 8.181,98 0.204,99 0.752,100 15.914,101 5.317,102 23.459,103 7.451,104 18,105 35,106 0.299,107 0.674,108 0.819,109 0.872,110 0.872,111 0.872,112 3.188,113 0.961,114 -4.41,115 -4.34,116 -4.09,119 40,120 1,124 1,125 1,139 4,140 3,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 5,169 2,170 6,172 3,173 3,175 1,178 9,180 1,182 4,187 1,189 3,191 1,192 1,193 8,195 3,196 3,197 1,198 3,200 2,201 5,204 3,205 1,212 1,215 3,218 1,221 5,226 3,229 6,231 3,234 2,241 3,245 1,246 7,251 3,254 2,256 3,260 2,265 1,270 1,273 700,274 15.455,275 15.455,276 15.455,277 15.455,278 15.455,279 13.322,280 16.774,281 8.991,282 16.053,283 12.256,284 12.256,285 12.256,286 12.256,287 12.256,288 9.019,289 19.61,290 4.179,291 13.136,292 3.627,293 1.509,294 0.688,295 0.388,296 0.388,297 0.388,298 3.868,300 1,301 1,302 1,303 492,304 2.646,307 189.913,311 99.153,314 1.44,315 17.831,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49.5,327 231,328 4.654,329 4.439,330 6.835,331 4.184,332 3.212,333 4.616,334 3.272,335 11.231,336 3.126,337 4.072,338 3.324,339 5.806,340 3.632,341 2.699,342 3.671,343 0.86,344 7.916,345 2.512,346 3.9,347 2.979,348 5.58,349 3.483,350 2.529,351 3.407,353 7.627,354 2.409,355 3.456,356 2.73,357 5.098,358 3.013,359 2.109,360 2.861,362 5.965,363 1.913,364 3.413,365 2.438,366 5.016,367 2.937,368 2.021,369 2.724,371 5.827,372 1.831,373 3.326,374 2.1,375 4.947,376 2.883,377 1.958,378 2.59,380 5.727,381 1.796,382 2.714,383 1.995,384 4.243,385 2.314,386 1.367,387 1.792,389 3.545,390 1.289,391 2.682,392 1.508,393 3.513,394 2.206,395 1.234,396 1.76,398 2.674,399 1.192,400 2,401 1.403,402 3.322,403 1.645,404 0.77,405 0.917,407 1.824,408 0.658,409 1.584,410 0.937,411 2.841,412 1.293,413 0.429,414 0.481,415 0.624,416 0.367,417 1.385,418 0.549,419 2.811,420 0.952,421 0.059,422 0.074,423 0.147,424 0.052,425 1.189,426 0.379,427 2.681,428 0.836,429 -0.116,430 -0.143,431 -0.302,432 -0.111,433 0.931,434 0.106,435 2.576,436 0.478,437 -0.435,438 -0.561,439 -1.129,440 -0.394,441 0.699,442 -0.294,443 2.167,444 0.296,445 -0.625,446 -0.769,448 -1.378,449 -0.561,450 0.582,451 -0.395,452 2,453 0.152,454 -0.786,455 -0.988,457 -1.902,458 -0.721,459 11.167,460 0.486,461 0.592,462 0.026,463 33,464 1.435,465 18,466 0.783,467 15,468 0.652,469 16.692,470 0.726,471 24.233,472 0.606,473 22.032,474 0.958,475 6.385,476 0.278,477 4.695,478 0.204,479 0.161,481 0.358,485 1.038,486 1.147,487 0.758,488 0.869,489 1.243,490 0.836,491 0.916,492 0.767,493 0.932,494 0.879,495 0.571,496 0.762,497 1.115,498 1.243,499 1.124,500 1.131,501 0.948,502 1.039,503 0.65,504 1.242,505 1.154,506 1.38,507 0.645,508 1.295,509 1.13,510 0.86,511 1.284,512 0.994,513 1.284,514 0.997,515 0.929,516 1.047,517 1.212,518 1.209,519 1.014,520 1.094,521 0.71,522 0.998,523 0.957,524 1.058,525 0.819,526 1.04,527 0.801,528 0.974,529 0.594,530 0.814,531 0.698,532 0.843,533 5,534 0.099,535 2.444,536 2,537 1.631,538 0.646,539 0.304,540 0.333,541 0.18,542 0.171,543 5593,544 16373,545 2.041,546 42.5,547 3,548 9,550 1,551 4,555 1.655,556 1.89,557 3.281,558 1.865,559 1,560 1,562 1,564 67.781,565 1.695,566 3.813,567 4.634,568 4.934,569 4.934,570 4.934,571 2.736,572 4.35,573 4.496,574 3.418,575 864.745,576 7.73,577 9816.54,578 1,579 1,581 1,582 212.877,583 1.478,584 4.443,585 0.2,586 0.008,587 0.07,588 0.054,589 0.051,590 0.027,591 0.014,592 0.017,593 0.009,594 0.011,595 0.461,597 1,598 0.832,599 107.768,600 -0.145,601 -0.004,602 0.043,603 0.078,604 -0.271,605 0.065,606 0.146,607 0.306,608 0.1,609 0.19,610 0.261,611 0.198,612 -0.188,613 -0.135,614 -0.105,615 -0.058,616 -0.153,617 -0.093,618 0.183,619 -0.186,620 -0.085,621 -0.301,622 0.223,623 -0.32,624 -0.239,625 0.131,626 -0.153,627 0.047,628 -0.254,629 -0.004,630 -0.077,631 -0.086,632 -0.073,633 -0.111,634 -0.12,635 -0.068,636 0.006,637 -0.082,638 -0.015,639 -0.065,640 -0.03,641 -0.01,642 0.178,643 -0.109,644 0.234,645 0.057,646 0.219,647 0.154,648 1.527,649 1.977,650 0.696,651 18.193,652 1.005,653 1.128,654 3.181,655 10.116,656 0.692,657 3.258,658 3.584,659 3.85,660 4.111,661 4.304,662 4.331,663 4.344,664 4.431,665 4.5,666 4.522,667 5.82,668 0.654,669 327.45,670 3.258,671 4.796,672 5.645,673 6.526,674 7.391,675 8.277,676 9.148,677 10.037,678 10.912,679 11.803,680 12.5,684 2,690 3,694 2,695 5,696 3,700 6,702 17,711 2,716 1,718 40,719 17,720 1,721 25,723 42,724 16,725 13,726 2,727 4,729 3,730 4,734 1,741 13,742 3,753 1,754 1,757 17,758 6,759 4,760 7,761 1,764 5,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,803 1,804 1,806 2,810 23,811 2,816 1,818 1,819 1,829 2.5,834 1,836 12.167,837 7.767,838 5.111,839 2.081,840 3.351,841 1.479,842 0.999,843 4.55,844 10.351,845 3.541,846 4.205,847 4.828,848 5.443,849 6.007,850 6.264,851 6.56,852 6.918,853 7.293,854 7.399,855 0.857,856 37,857 8.414,859 3.481,860 7.725,861 15.968,863 12.705,865 2.225,866 51.167,869 1,870 153.024,871 121.461,872 116.151,874 11,876 32.22,877 89.241,878 164.024,879 116.151,880 19.708,881 0.9,882 103.699,883 62.128,884 37.501,885 4.227,886 173.473,888 153.024,889 205.392,890 11,891 32.22,893 154.74,894 11,897 20.671,898 132.649,899 50.357,900 32.22,901 153.024,902 127.151,903 121.461,906 153.024,907 54.8,908 66.661,910 127.151,911 153.024,912 127.151,913 121.461,915 0.582,916 0.347,917 0.19,918 0.099,919 17,920 8,921 0.095,922 4,923 1,924 1.125,925 3.491,926 181.445,927 0.125,928 16,929 104.042,930 1,933 15.841,934 6.605,935 3.332,936 1.297,937 127.151,938 9.773,939 12.518,943 4.598,945 65.794,946 401.636,947 33.5,956 40.214,957 45.112,958 0.318,959 0.716,960 0.871,961 0.927,962 0.927,963 0.927,964 4.764,965 1.234,966 5.638,967 3.545,968 4.263,969 4.89,970 3.174,971 6.454,972 4.137,973 5.997,974 0.77,975 7.203,976 2.674,977 3.892,978 4.808,980 7.368,981 3.74,982 7.322,983 0.429,984 8.865,985 1.824,986 5.861,987 7.189,988 5.444,989 10.475,990 5.645,991 8.684,992 0.059,993 10.585,994 0.624,995 6.275,996 7.908,998 12.227,999 6.047,1000 10.075,1001 -0.116,1002 12.344,1003 0.147,1004 7.737,1005 9.787,1006 7.807,1007 14.882,1008 7.462,1009 11.489,1010 -0.435,1011 14.131,1012 -0.302,1013 8.531,1014 10.907,1016 17.014,1017 8.25,1018 12.921,1019 -0.625,1020 15.94,1021 -1.129,1022 9.792,1023 12.578,1024 10.177,1025 19.515,1026 9.477,1027 3.212,1028 -0.786,1029 17.767,1030 -1.378,1031 10.774,1032 13.906,1034 21.813,1035 10.449,1036 2.699,1037 11.231,1038 19.61,1039 -1.902,1040 11.959,1041 15.486,1042 12.548,1043 24.261,1044 11.607,1045 2.529,1046 7.916,1047 21.466,1048 4.616,1049 13.032,1050 16.918,1052 26.629,1053 12.666,1054 2.109,1055 7.627,1056 23.332,1057 3.671,1058 14.191,1059 18.463,1060 14.919,1061 29.057,1062 13.802,1063 2.021,1064 5.965,1065 25.208,1066 3.407,1067 15.308,1068 19.944,1070 31.455,1071 14.901,1072 1.958,1073 5.827,1074 27.092,1075 2.861,1076 16.461,1077 21.476,1078 17.29,1079 33.876,1080 16.032,1081 1.367,1082 5.727,1083 28.983,1084 2.724,1085 17.6,1086 22.981,1088 36.286,1089 17.15,1090 5480,1091 9496,1092 16.414,1093 27.699,1094 36.892,1095 40.199,1096 38.425,1097 36.668,1098 36.773,1099 49.787,1100 8.265,1101 106.21,1102 34.29,1103 5.485,1104 6.439,1105 6.431,1106 5.295,1107 5.212,1108 7.616,1109 6.545,1110 18.467,1111 5.126,1112 11.983,1113 1.476,1114 1.608,1115 1.537,1116 1.467,1117 1.471,1118 1.991,1119 0.331,1120 4.248,1121 1.372,1122 4.067,1123 4.105,1124 4.095,1125 3.971,1126 5.321,1127 3.976,1128 3.887,1129 3.905,1130 3.95,1131 3.835,1132 4.981,1133 3.821,1134 3.534,1135 3.596,1136 3.567,1137 3.388,1138 4.862,1139 3.385,1140 3.256,1141 3.318,1142 3.315,1143 3.07,1144 4.8,1145 3.027,1146 3.178,1147 3.272,1148 3.05,1149 2.954,1150 4.373,1151 2.958,1152 3.063,1153 3.154,1154 3.02,1155 2.894,1156 4.186,1157 2.881,1158 3.023,1159 3.133,1160 2.815,1161 2.705,1162 4.023,1163 2.722,1164 2.798,1165 2.869,1166 2.665,1167 2.651,1168 3.747,1169 2.641,1170 0.186,1171 0.178,1172 0.273,1173 0.167,1174 0.128,1175 4.654,1176 0.185,1177 4.439,1178 0.131,1179 6.835,1180 0.449,1181 4.184,1182 0.125,1183 3.212,1184 4.616,1185 3.272,1186 11.231,1187 3.126,1188 1.995,1189 1.967,1190 2.047,1191 2.124,1192 1.23,1193 2.104,1194 1.867,1195 1.85,1196 1.957,1197 1.951,1198 1.063,1199 1.962,1200 1.469,1201 1.416,1202 1.607,1203 1.681,1204 0.735,1205 1.674,1206 1.205,1207 1.138,1208 1.569,1209 1.507,1210 0.572,1211 1.53,1212 1.163,1213 1.079,1214 1.487,1215 1.416,1216 0.558,1217 1.443,1218 1.002,1219 0.939,1220 1.263,1221 1.34,1222 0.214,1223 1.341,1224 0.946,1225 0.826,1226 1.2,1227 1.232,1228 0.151,1229 1.26,1230 0.814,1231 0.743,1232 1.102,1233 1,1234 0.084,1235 1.04,1236 3.932,1238 5.252,1240 6.779,1242 8.405,1244 10.085,1246 3.664,1250 11.594,1252 0.77,1254 5.245,1255 1.708,1262 26.17,1263 67.781,1264 152.513,1265 185.367,1266 197.367,1267 197.367,1268 197.367,1269 30.601,1270 7,1271 99.94,1272 125.24,1273 18,1274 12.334,1275 4.17,1276 3.248,1277 36.963,1278 80,1279 81,1280 0.228,1281 167.747,1282 276.76,1283 401.063,1284 9747,1286 16.397,1287 0.713,1288 0.597,1289 16.751,1290 13.723,1291 11.08,1292 0.443,1293 0.32,1294 7.002,1295 10.176,1296 6.658,1297 5.573,1298 11.534,1299 8.008,1300 9.972,1301 0.285,1302 0.174,1303 10.549,1304 6.091,1305 8.354,1306 0.182,1307 0.1,1308 9.012,1309 4.613,1310 7.182,1311 0.12,1312 0.055,1313 7.932,1314 3.318,1315 5.395,1316 0.074,1317 0.031,1318 6.114,1319 2.231,1320 0.357,1321 73.983,1322 0.247,1323 22.566,1324 0.626,1325 120,1326 352.156,1327 153.32,1328 366.42,1329 505.64,1330 344,1331 141,1332 363.391,1333 169.691,1334 384.969,1335 559.91,1336 359,1337 6.222}
{0 CHEMBL277438,1 1.882,2 8.714,3 2.702,4 7.302,5 85.592,6 10.131,7 0.696,8 3.626,9 3.74,10 3.431,11 3.172,12 4.887,13 3.189,14 4.075,15 4.206,16 3.851,17 3.563,18 5.372,19 3.553,20 4.255,21 4.412,22 3.906,23 3.637,24 5.47,25 3.602,26 4.291,27 4.463,28 3.796,29 3.551,30 5.566,31 3.489,32 4.241,33 4.455,34 3.627,35 3.432,36 5.407,37 3.33,38 4.024,39 4.253,40 3.391,41 3.308,42 5.056,43 3.213,44 3.868,45 4.034,46 3.594,47 3.23,48 5.13,49 3.187,50 3.806,51 3.985,52 3.595,53 3.064,54 5.2,55 3.038,56 0.152,57 0.506,58 3.425,59 2.217,60 14.208,61 2.204,62 0.31,63 0.745,64 7.116,65 4.084,66 22.236,67 4.537,68 0.381,69 0.816,70 13.809,71 4.999,72 28.343,73 5.426,74 0.563,75 0.782,76 16.558,77 5.485,78 44.643,79 6.254,80 0.605,81 0.715,82 21.081,83 5.184,84 52.954,85 5.351,86 0.327,87 0.577,88 15.45,89 4.824,90 29.355,91 6.047,92 0.327,93 0.495,94 11.007,95 3.862,96 25.183,97 4.315,98 0.399,99 0.438,100 11.657,101 3.073,102 32.173,103 3.21,104 17,105 33,106 0.349,107 0.728,108 0.819,109 0.881,110 0.892,111 0.892,112 3.103,113 0.884,114 -4.24,115 -4.18,116 -3.95,119 40.6,125 1,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 2,169 2,170 4,172 3,173 3,175 3,178 4,180 1,182 2,187 4,189 4,191 1,192 1,195 3,196 4,197 1,198 3,200 2,201 1,204 1,205 1,210 2,211 1,212 1,214 1,215 4,218 1,221 1,229 4,234 4,238 1,239 1,240 1,241 2,243 1,246 6,251 2,256 2,260 4,265 3,270 3,273 521,274 13.878,275 13.878,276 13.878,277 13.878,278 13.878,279 11.822,280 17.572,281 8.002,282 14.359,283 11.332,284 11.332,285 11.332,286 11.332,287 11.332,288 8.265,289 25.003,290 3.797,291 12.231,292 3.118,293 1.074,294 0.586,295 0.25,296 0.188,297 0.188,298 3.779,299 2,300 1,301 1,302 1,303 391,304 2.449,306 42.388,307 118.119,310 79.721,314 1.279,315 23.274,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 46.167,327 183,328 4.638,329 3.287,330 6.78,331 4.165,332 3.189,333 4.608,334 0.657,335 11.108,336 3.117,337 4.231,338 3.206,339 6.065,340 3.776,341 2.854,342 3.881,344 8.741,345 2.591,346 3.708,347 2.766,348 5.305,349 3.266,350 2.336,351 3.154,353 6.692,354 2.17,355 3.445,356 2.521,357 5.063,358 2.952,359 2.098,360 2.791,362 5.791,363 1.867,364 3.406,365 2.088,366 4.919,367 2.922,368 1.98,369 2.756,371 5.67,372 1.738,373 3.079,374 2.058,375 4.768,376 2.709,377 1.773,378 2.251,380 5.014,381 1.613,382 2.862,383 1.764,384 4.229,385 2.417,386 1.48,387 1.999,389 3.916,390 1.329,391 2.305,392 0.923,393 3.589,394 1.837,395 0.858,396 1.221,398 2.116,399 0.838,400 1.864,401 0.869,402 3.25,403 1.557,404 0.62,405 0.75,407 1.52,408 0.571,409 1.35,410 0.719,411 2.698,412 0.899,413 0.109,414 0.129,415 0.242,416 0.07,417 1.098,418 0.04,419 2.579,420 0.65,421 -0.253,422 -0.322,423 -0.668,424 -0.224,425 0.867,426 -0.159,427 2.367,428 0.446,429 -0.465,430 -0.58,431 -1.187,432 -0.402,433 0.659,434 -0.301,435 2.237,436 0.271,437 -0.648,438 -0.775,439 -1.692,440 -0.496,441 0.302,442 -0.504,443 2,444 -0.033,445 -1,446 -1.161,448 -2.39,449 -0.681,450 0.178,451 -0.852,452 1.88,453 -0.32,454 -1,455 -1.319,457 -2.718,458 -0.964,459 10.262,460 0.489,461 0.63,462 0.03,463 30,464 1.429,465 15.5,466 0.738,467 14.5,468 0.69,469 14.306,470 0.681,471 22.138,472 0.692,473 19.793,474 0.943,475 5.973,476 0.284,477 4.069,478 0.194,479 0.217,481 0.39,485 0.979,486 1.191,487 0.53,488 0.688,489 1.099,490 0.651,491 0.733,492 0.921,493 0.565,494 0.74,495 0.509,496 0.75,497 1.057,498 1.325,499 1.006,500 1.117,501 0.979,502 1.052,503 0.92,504 1.136,505 1.094,506 1.214,507 0.847,508 1.238,509 1.353,510 0.634,511 1.07,512 0.853,513 1.393,514 1.092,515 0.826,516 0.837,517 0.827,518 0.847,519 0.839,520 0.873,521 0.964,522 1.022,523 0.873,524 0.929,525 0.905,526 0.842,527 1.052,528 1.079,529 1.056,530 1.015,531 1.049,532 0.888,533 5,534 0.054,535 2.667,536 1.91,537 1.303,538 0.427,539 0.362,540 0.313,541 0.224,542 0.124,543 4290,544 16621,545 2.045,546 34.4,548 5,549 1,551 5,555 1.631,556 1.881,557 3.104,558 2.892,560 1,562 1,564 60.231,565 1.882,566 3.926,567 4.414,568 4.75,569 4.813,570 4.813,571 2.529,572 4.107,573 4.369,574 3.242,575 680.721,576 7.475,577 7205.89,578 1,579 1,580 1,581 1,582 160,583 1.51,584 4.305,585 0.217,586 0.011,587 0.081,588 0.06,589 0.048,590 0.022,591 0.019,592 0.015,593 0.012,594 0.011,595 0.497,596 0.17,597 1,598 0.665,599 94.566,600 -0.236,601 0.001,602 -0.026,603 0.109,604 -0.325,605 0.108,606 0.1,607 0.19,608 0.066,609 0.124,610 0.194,611 0.088,612 -0.177,613 -0.291,614 -0.12,615 -0.197,616 -0.153,617 -0.155,618 0.127,619 -0.167,620 -0.165,621 -0.267,622 0.112,623 -0.305,624 -0.26,625 0.312,626 -0.111,627 0.11,628 -0.327,629 -0.116,630 -0.028,631 0.047,632 0.101,633 0.18,634 -0.02,635 0.238,636 0.076,637 -0.096,638 0.144,639 0.081,640 0.074,641 0.152,642 0.125,643 -0.122,644 0.129,645 -0.03,646 0.12,647 0.054,648 1.591,649 1.985,650 0.714,651 14.181,652 1.032,653 1.133,654 3.009,655 9.052,656 0.726,657 3.178,658 3.526,659 3.784,660 4.06,661 4.205,662 4.22,663 4.234,664 4.331,665 4.344,666 4.331,667 5.277,668 0.706,669 324.19,670 3.178,671 4.727,672 5.58,673 6.469,674 7.338,675 8.229,676 9.104,677 9.997,678 10.876,679 11.77,680 15.6,684 2,685 1,690 2,694 2,695 4,696 2,698 1,700 6,702 16,711 2,712 1,717 2,718 32,719 16,720 1,721 23,723 34,724 13,725 12,726 3,727 3,729 3,730 4,731 2,741 12,742 1,753 1,754 1,756 1,757 11,758 6,759 5,760 8,761 2,764 5,769 0.667,770 1,776 1,780 1,781 2,784 1,802 2,807 2,810 21,811 2,816 1,817 1,828 2,829 3.1,834 1,836 11.167,837 5.602,838 4.528,839 1.626,840 3.141,841 1.461,842 1.027,843 3.904,844 9.96,845 3.466,846 4.155,847 4.776,848 5.396,849 5.866,850 6.109,851 6.367,852 6.732,853 6.838,854 7.045,855 0.833,856 32,857 7.651,859 3.262,860 7.931,861 14.15,863 11.397,865 2.431,866 51.056,870 70.627,871 66.425,872 117.376,873 78.297,874 9.507,877 66.425,878 158.431,879 117.376,881 2.106,882 105.963,883 55.989,884 25.024,885 15.998,886 58.856,887 78.297,888 70.627,889 183.801,890 9.507,891 78.297,893 70.627,894 9.507,897 8.412,898 123.807,899 129.879,901 70.627,902 126.884,903 144.722,906 70.627,907 26.257,908 40.168,909 18.011,910 187.17,911 70.627,912 126.884,913 144.722,915 0.593,916 0.345,917 0.188,918 0.098,919 17,920 8,921 0.088,922 3,923 1,924 1.133,925 3.307,926 161.587,927 0.133,928 15,929 92.239,933 14.407,934 5.69,935 2.912,936 0.99,937 126.884,938 6.736,939 7.92,941 5.343,943 3.036,945 83.805,946 342.232,947 31,956 33.018,957 36.25,958 0.376,959 0.785,960 0.883,961 0.95,962 0.963,963 0.963,964 4.7,965 0.858,966 5.587,967 3.916,968 4.205,969 4.84,970 0.623,971 6.412,972 4.063,973 5.948,974 0.62,975 7.159,976 2.116,977 3.892,978 4.808,980 7.338,981 3.633,982 7.281,983 0.109,984 8.826,985 1.52,986 5.814,987 7.155,988 0.317,989 10.439,990 5.577,991 8.65,992 -0.253,993 10.55,994 0.242,995 6.275,996 7.927,998 12.212,999 5.961,1000 10.049,1001 -0.465,1002 12.311,1003 -0.668,1004 7.711,1005 9.777,1006 0.149,1007 14.849,1008 7.407,1009 11.47,1010 -0.648,1011 14.099,1012 -1.187,1013 8.536,1014 10.938,1016 16.991,1017 8.189,1018 12.909,1019 -1,1020 15.909,1021 -1.692,1022 9.785,1023 12.587,1024 0.067,1025 19.468,1026 9.434,1027 3.189,1028 -1,1029 17.736,1030 -2.39,1031 10.783,1032 13.937,1034 21.765,1035 10.406,1036 2.854,1037 11.108,1038 19.578,1039 -2.718,1040 11.96,1041 15.505,1042 0.03,1043 24.189,1044 11.573,1045 2.336,1046 8.741,1047 21.431,1048 4.608,1049 13.036,1050 16.945,1052 26.548,1053 12.631,1054 2.098,1055 6.692,1056 23.294,1057 3.881,1058 14.188,1059 18.48,1060 0.013,1061 28.956,1062 13.77,1063 1.98,1064 5.791,1065 25.165,1066 3.154,1067 15.301,1068 19.963,1070 31.341,1071 14.867,1072 1.773,1073 5.67,1074 27.042,1075 2.791,1076 16.446,1077 21.487,1078 0.006,1079 33.745,1080 15.998,1081 1.48,1082 5.014,1083 28.925,1084 2.756,1085 17.576,1086 22.99,1088 36.141,1089 17.114,1090 4207,1091 8382,1092 15.027,1093 23.244,1094 34.818,1095 35.706,1096 36.282,1097 34.769,1098 34.594,1099 47.078,1100 1.315,1101 101.621,1102 31.807,1103 5.478,1104 5.287,1105 6.124,1106 5.236,1107 5.189,1108 7.608,1109 1.315,1110 17.998,1111 5.117,1112 11.227,1113 1.514,1114 1.552,1115 1.577,1116 1.512,1117 1.504,1118 2.047,1119 0.057,1120 4.418,1121 1.383,1122 4.088,1123 4.11,1124 4.105,1125 3.943,1126 5.363,1127 3.968,1128 3.899,1129 3.919,1130 4.037,1131 3.838,1132 5.019,1133 3.835,1134 3.448,1135 3.521,1136 3.635,1137 3.217,1138 4.983,1139 3.247,1140 3.17,1141 3.239,1142 3.38,1143 2.924,1144 4.945,1145 2.938,1146 3.075,1147 3.196,1148 3.088,1149 2.834,1150 4.669,1151 2.813,1152 2.903,1153 2.918,1154 2.952,1155 2.728,1156 4.185,1157 2.775,1158 2.747,1159 2.812,1160 2.819,1161 2.578,1162 4.116,1163 2.573,1164 2.515,1165 2.644,1166 2.595,1167 2.205,1168 3.88,1169 2.212,1170 0.202,1171 0.143,1172 0.295,1173 0.181,1174 0.139,1175 4.638,1176 0.2,1177 3.287,1178 0.029,1179 6.78,1180 0.483,1181 4.165,1182 0.136,1183 3.189,1184 4.608,1185 0.657,1186 11.108,1187 3.117,1188 1.889,1189 1.868,1190 1.951,1191 2.01,1192 1.12,1193 1.993,1194 1.806,1195 1.776,1196 1.851,1197 1.947,1198 1.004,1199 1.931,1200 1.473,1201 1.437,1202 1.622,1203 1.698,1204 0.631,1205 1.684,1206 1.04,1207 0.982,1208 1.28,1209 1.381,1210 0.24,1211 1.358,1212 0.957,1213 0.872,1214 1.22,1215 1.356,1216 0.14,1217 1.319,1218 0.854,1219 0.827,1220 1.114,1221 1.132,1223 1.136,1224 0.82,1225 0.736,1226 1.024,1227 0.973,1229 1.013,1230 0.598,1231 0.504,1232 0.827,1233 0.821,1235 0.859,1236 3.85,1238 5.187,1239 2.398,1240 6.711,1241 4.727,1242 8.326,1243 6.843,1244 9.991,1247 12.04,1250 11.385,1252 0.435,1253 3.171,1262 22.584,1263 60.231,1264 125.635,1265 141.245,1266 152,1267 154,1268 154,1269 29.657,1270 6.819,1271 102.99,1272 102.99,1273 17,1274 12.299,1275 4.087,1276 3.17,1277 32.244,1278 67,1279 57,1280 0.241,1281 147.432,1282 239.41,1283 351.495,1284 7672,1285 6.3,1286 14.983,1287 0.713,1288 0.583,1289 15.983,1290 12.242,1291 10.042,1292 0.437,1293 0.295,1294 5.984,1295 9.053,1296 5.82,1297 4.788,1298 10.619,1299 6.779,1300 9.462,1301 0.287,1302 0.158,1303 10.241,1304 5.229,1305 7.666,1306 0.178,1307 0.082,1308 8.308,1309 3.517,1310 6.624,1311 0.116,1312 0.041,1313 7.094,1314 2.357,1315 4.983,1316 0.075,1317 0.024,1318 5.671,1319 1.58,1320 0.374,1321 69.357,1322 0.258,1323 20.683,1324 0.674,1325 112,1326 366.39,1327 154.796,1328 416.955,1329 551.32,1330 386,1331 132,1332 368.103,1333 165.441,1334 391.224,1335 573.19,1336 367,1337 4.143}
{0 CHEMBL278013,1 1.722,2 9.273,3 3.046,4 9.276,5 92.073,6 9.368,7 0.667,8 3.719,9 3.854,10 3.465,11 3.257,12 4.922,13 3.254,14 4.191,15 4.363,16 3.888,17 3.661,18 5.391,19 3.634,20 4.38,21 4.545,22 4.061,23 3.801,24 5.554,25 3.739,26 4.481,27 4.695,28 3.818,29 3.752,30 5.6,31 3.658,32 4.508,33 4.767,34 3.612,35 3.678,36 5.52,37 3.555,38 4.406,39 4.665,40 3.547,41 3.607,42 5.354,43 3.461,44 4.172,45 4.397,46 3.48,47 3.423,48 5.315,49 3.319,50 4.022,51 4.271,52 3.496,53 3.235,54 5.154,55 3.142,56 0.11,57 0.584,58 5.146,59 2.503,60 12.034,61 3.053,62 0.268,63 0.872,64 11.026,65 4.612,66 20.305,67 5.865,68 0.316,69 0.98,70 19.248,71 5.801,72 26.726,73 7.071,74 0.411,75 1.03,76 20.092,77 6.893,78 34.824,79 9.11,80 0.496,81 0.986,82 21.376,83 6.533,84 44.911,85 8.773,86 0.372,87 0.814,88 26.524,89 7.369,90 35.646,91 9.898,92 0.359,93 0.682,94 19.543,95 4.858,96 35.972,97 6.064,98 0.29,99 0.552,100 15.774,101 4.197,102 26.036,103 5.517,104 26,105 35,106 0.312,107 0.715,108 0.818,109 0.872,110 0.882,111 0.882,112 3.147,113 0.908,114 -4.49,115 -4.42,116 -4.16,119 38.9,124 1,125 1,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 2,169 1,170 5,172 3,173 4,175 3,178 3,180 1,182 4,187 1,189 5,191 1,193 1,195 1,196 3,197 3,198 1,200 4,201 3,204 1,205 1,206 2,207 1,209 1,210 1,212 1,215 3,218 1,226 2,229 2,234 4,236 1,237 1,239 3,241 2,243 2,246 2,251 2,254 1,256 1,260 2,265 4,270 3,273 580,274 14.378,275 14.378,276 14.378,277 14.378,278 14.378,279 12.347,280 18.719,281 8.176,282 14.947,283 11.8,284 11.8,285 11.8,286 11.8,287 11.8,288 8.772,289 27.319,290 3.865,291 12.868,292 3.448,293 1.222,294 0.653,295 0.354,296 0.299,297 0.299,298 3.82,299 2,300 1,301 1,302 1,303 435,304 2.828,306 46.407,307 126.907,310 87.013,314 1.298,315 20.126,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47.667,327 204,328 4.641,329 3.358,330 6.786,331 4.164,332 3.198,333 4.609,334 0.916,335 11.135,336 3.092,337 4.257,338 3.275,339 6.137,340 3.83,341 2.909,342 3.896,343 0.172,344 8.949,345 2.673,346 3.781,347 2.936,348 5.762,349 3.404,350 2.523,351 3.174,353 7.603,354 2.197,355 3.639,356 2.44,357 5.293,358 3.195,359 2.278,360 2.972,362 6.622,363 2.015,364 3.405,365 2.147,366 5.063,367 2.899,368 1.98,369 2.786,371 5.791,372 1.818,373 3.056,374 2.066,375 4.78,376 2.669,377 1.719,378 2.232,380 5.048,381 1.615,382 2.821,383 1.923,384 4.109,385 2.307,386 1.414,387 1.949,389 3.553,390 1.205,391 2.486,392 1.414,393 3.987,394 2.137,395 1.206,396 1.483,398 3.195,399 1.095,400 2.257,401 0.865,402 3.588,403 1.745,404 0.819,405 1.161,407 2.071,408 0.756,409 1.356,410 0.679,411 2.849,412 0.91,413 0.111,414 0.132,415 0.25,416 0.07,417 1.152,418 0.188,419 2.668,420 0.751,421 -0.124,422 -0.147,423 -0.319,424 -0.109,425 0.944,426 -0.089,427 2.381,428 0.513,429 -0.4,430 -0.517,431 -1.075,432 -0.361,433 0.726,434 -0.265,435 2.343,436 0.3,437 -0.605,438 -0.709,439 -1.495,440 -0.448,441 0.561,442 -0.378,443 2.091,444 0.218,445 -0.67,446 -0.832,448 -1.698,449 -0.569,450 0.136,451 -0.785,452 2,453 -0.207,454 -1.128,455 -1.328,457 -2.891,458 -0.922,459 10.829,460 0.492,461 0.72,462 0.033,463 30.75,464 1.398,465 15.5,466 0.705,467 15.25,468 0.693,469 16.279,470 0.74,471 23.371,472 0.649,473 20.962,474 0.953,475 6.104,476 0.277,477 4.348,478 0.198,479 0.252,481 0.406,485 0.967,486 1.356,487 0.552,488 0.756,489 1.078,490 0.735,491 0.706,492 0.866,493 0.557,494 0.639,495 0.439,496 0.673,497 1.025,498 1.357,499 0.857,500 1.06,501 0.859,502 1.06,503 0.665,504 1.088,505 0.85,506 1.176,507 0.664,508 1.193,509 0.909,510 0.758,511 0.774,512 0.858,513 1.107,514 1.04,515 0.896,516 0.952,517 0.992,518 1.021,519 0.791,520 1,521 1.406,522 0.931,523 1.313,524 1.034,525 1.434,526 1.068,527 1.1,528 1.012,529 0.882,530 0.776,531 1.06,532 0.785,533 5.5,534 0.062,535 3.111,536 2.035,537 1.458,538 0.792,539 0.395,540 0.293,541 0.263,542 0.173,543 4753,544 17262,545 2.017,546 38.9,548 8,549 1,551 5,555 1.644,556 1.833,557 3.181,558 2.824,559 1,560 1,562 1,564 62.002,565 1.722,566 3.948,567 4.517,568 4.816,569 4.871,570 4.871,571 2.642,572 4.152,573 4.434,574 3.296,575 761.3,576 7.612,577 8235.72,578 1,579 1,580 1,581 1,582 186.117,583 1.544,584 4.36,585 0.229,586 0.009,587 0.089,588 0.058,589 0.049,590 0.034,591 0.018,592 0.015,593 0.015,594 0.013,595 0.529,596 0.17,597 1,598 0.688,599 100.566,600 -0.218,601 -0.121,602 -0.016,603 0.069,604 -0.295,605 0.071,606 0.103,607 0.283,608 0.105,609 0.238,610 0.227,611 0.201,612 -0.121,613 -0.274,614 0.003,615 -0.13,616 -0.052,617 -0.16,618 0.158,619 -0.079,620 -0.079,621 -0.25,622 0.125,623 -0.239,624 -0.074,625 0.217,626 -0.054,627 0.045,628 -0.216,629 -0.074,630 -0.04,631 -0.112,632 0.006,633 0.023,634 0.026,635 0.089,636 -0.33,637 0.031,638 -0.248,639 -0.06,640 -0.324,641 -0.108,642 -0.059,643 -0.106,644 0.162,645 0.211,646 -0.006,647 0.221,648 1.517,649 1.952,650 0.682,651 15.306,652 1.019,653 1.138,654 3.258,655 10.615,656 0.71,657 3.219,658 3.584,659 3.85,660 4.111,661 4.277,662 4.344,663 4.331,664 4.382,665 4.419,666 4.407,667 5.393,668 0.678,669 337.24,670 3.219,671 4.779,672 5.638,673 6.532,674 7.408,675 8.304,676 9.185,677 10.083,678 10.967,679 11.866,680 16.7,684 2,686 1,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,714 1,717 2,718 36,719 16,720 1,721 24,723 38,724 14,725 12,726 3,727 3,729 3,730 4,731 2,741 12,742 2,753 1,754 1,757 14,758 5,759 5,760 8,761 2,764 6,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,806 1,807 2,810 22,811 2,816 1,821 1,828 2,836 12,837 6.636,838 4.722,839 1.837,840 3.064,841 1.446,842 1.024,843 4.14,844 9.941,845 3.497,846 4.186,847 4.809,848 5.423,849 5.906,850 6.184,851 6.437,852 6.767,853 6.901,854 7.117,855 1,856 35,857 8.025,859 3.395,860 7.843,861 15.029,863 12.161,865 2.343,866 51.556,870 105.94,871 69.437,872 119.275,873 78.297,877 69.437,878 184.237,879 119.275,880 8.396,881 2.106,882 103.271,883 35.286,884 35.426,885 15.998,886 94.169,887 78.297,888 105.94,889 188.712,891 78.297,893 105.94,897 22.506,898 132.636,899 111.868,901 105.94,902 119.275,903 147.734,906 105.94,907 23.565,908 48.997,909 16.786,910 177.663,911 105.94,912 119.275,913 147.734,915 0.599,916 0.353,917 0.185,918 0.097,919 18,920 9,921 0.079,922 3,923 1,924 1.133,925 3.342,926 174.131,927 0.133,928 15,929 98.107,933 15.367,934 5.928,935 3.013,936 1.406,937 102.49,938 7.337,939 8.145,940 3.062,943 3.469,945 82.58,946 372.95,947 32,956 36.676,957 40.954,958 0.333,959 0.764,960 0.874,961 0.931,962 0.942,963 0.942,964 4.745,965 1.206,966 5.659,967 3.553,968 4.263,969 4.871,970 0.918,971 6.5,972 4.101,973 5.996,974 0.819,975 7.246,976 3.195,977 4.007,978 4.856,979 0.325,980 7.448,981 3.73,982 7.332,983 0.111,984 8.928,985 2.071,986 5.894,987 7.18,988 0.671,989 10.548,990 5.616,991 8.704,992 -0.124,993 10.663,994 0.25,995 6.399,996 7.96,997 0.393,998 12.311,999 6.03,1000 10.104,1001 -0.4,1002 12.432,1003 -0.319,1004 7.812,1005 9.799,1006 0.533,1007 14.948,1008 7.44,1009 11.526,1010 -0.605,1011 14.226,1012 -1.075,1013 8.66,1014 10.961,1015 0.384,1016 17.071,1017 8.229,1018 12.965,1019 -0.67,1020 16.037,1021 -1.495,1022 9.896,1023 12.604,1024 0.438,1025 19.547,1026 9.451,1027 3.198,1028 -1.128,1029 17.864,1030 -1.698,1031 10.902,1032 13.954,1033 0.351,1034 21.83,1035 10.417,1036 2.909,1037 11.135,1038 19.703,1039 -2.891,1040 12.071,1041 15.518,1042 0.366,1043 24.252,1044 11.566,1045 2.523,1046 8.949,1047 21.552,1048 4.609,1049 13.149,1050 16.957,1051 0.312,1052 26.604,1053 12.613,1054 2.278,1055 7.603,1056 23.41,1057 3.896,1058 14.297,1059 18.49,1060 0.309,1061 29.01,1062 13.738,1063 1.98,1064 6.622,1065 25.275,1066 3.174,1067 15.409,1068 19.972,1069 0.273,1070 31.392,1071 14.823,1072 1.719,1073 5.791,1074 27.146,1075 2.972,1076 16.551,1077 21.495,1078 0.262,1079 33.795,1080 15.941,1081 1.414,1082 5.048,1083 29.023,1084 2.786,1085 17.681,1086 22.998,1087 0.236,1088 36.191,1089 17.044,1090 4685,1091 9038,1092 15.433,1093 25.557,1094 36.729,1095 37.372,1096 38.506,1097 36.438,1098 36.314,1099 48.786,1100 2.178,1101 108.434,1102 33.072,1103 5.48,1104 5.358,1105 6.085,1106 5.237,1107 5.198,1108 7.609,1109 1.605,1110 18.029,1111 5.092,1112 12.876,1113 1.53,1114 1.557,1115 1.604,1116 1.518,1117 1.513,1118 2.033,1119 0.091,1120 4.518,1121 1.378,1122 4.113,1123 4.16,1124 4.13,1125 3.978,1126 5.322,1127 3.998,1128 3.909,1129 3.933,1130 4.063,1131 3.849,1132 5.042,1133 3.843,1134 3.487,1135 3.563,1136 3.498,1137 3.27,1138 4.981,1139 3.292,1140 3.327,1141 3.42,1142 3.398,1143 3.071,1144 4.77,1145 3.094,1146 3.095,1147 3.216,1148 3.314,1149 2.795,1150 4.491,1151 2.813,1152 2.878,1153 2.972,1154 3.016,1155 2.773,1156 4.358,1157 2.766,1158 2.85,1159 2.922,1160 2.936,1161 2.667,1162 4.099,1163 2.637,1164 2.76,1165 2.794,1166 2.59,1167 2.585,1168 3.928,1169 2.572,1170 0.193,1171 0.14,1172 0.283,1173 0.174,1174 0.133,1175 4.641,1176 0.192,1177 3.358,1178 0.038,1179 6.786,1180 0.464,1181 4.164,1182 0.129,1183 3.198,1184 4.609,1185 0.916,1186 11.135,1187 3.092,1188 1.899,1189 1.876,1190 1.973,1191 2.025,1192 1.159,1193 2.009,1194 1.814,1195 1.781,1196 1.855,1197 1.97,1198 1.004,1199 1.95,1200 1.561,1201 1.498,1202 1.715,1203 1.757,1204 0.761,1205 1.758,1206 1.272,1207 1.185,1208 1.557,1209 1.548,1210 0.602,1211 1.556,1212 1.027,1213 0.929,1214 1.295,1215 1.382,1216 0.307,1217 1.367,1218 0.898,1219 0.824,1220 1.247,1221 1.273,1222 0.17,1223 1.285,1224 0.868,1225 0.773,1226 1.101,1227 1.019,1229 1.061,1230 0.747,1231 0.704,1232 1.005,1233 0.966,1235 0.997,1236 3.892,1238 5.242,1239 2.398,1240 6.777,1241 4.727,1242 8.4,1243 6.843,1244 10.069,1246 1.951,1247 12,1250 11.55,1252 0.607,1257 2.028,1262 24.417,1263 62.002,1264 142.143,1265 162.608,1266 173.362,1267 175.362,1268 175.362,1269 31.165,1270 6.877,1271 96.85,1272 96.85,1273 17,1274 12.392,1275 4.087,1276 3.17,1277 34.52,1278 72,1279 66,1280 0.243,1281 159.823,1282 258.92,1283 381.728,1284 8039,1285 5.6,1286 15.853,1287 0.721,1288 0.604,1289 16.853,1290 13.281,1291 10.452,1292 0.436,1293 0.303,1294 6.465,1295 9.513,1296 6.224,1297 5.159,1298 11.03,1299 7.262,1300 9.969,1301 0.285,1302 0.165,1303 10.711,1304 5.773,1305 8.251,1306 0.179,1307 0.09,1308 9.166,1309 4.149,1310 6.858,1311 0.114,1312 0.044,1313 7.244,1314 2.631,1315 5.115,1316 0.072,1317 0.024,1318 5.532,1319 1.702,1320 0.375,1321 71.573,1322 0.255,1323 21.493,1324 0.681,1325 118,1326 348.299,1327 159.28,1328 406.64,1329 540.02,1330 376,1331 140,1332 361.486,1333 177.554,1334 389.241,1335 569.43,1336 364,1337 5.523}
{0 CHEMBL278110,1 1.91,2 9.348,3 3.72,4 13.839,5 94.632,6 10.647,7 0.64,8 3.709,9 3.815,10 3.558,11 3.268,12 4.957,13 3.275,14 4.182,15 4.325,16 4.006,17 3.673,18 5.446,19 3.66,20 4.354,21 4.481,22 4.286,23 3.833,24 5.633,25 3.782,26 4.474,27 4.653,28 4.106,29 3.769,30 5.718,31 3.694,32 4.46,33 4.68,34 3.761,35 3.683,36 5.538,37 3.578,38 4.371,39 4.575,40 3.662,41 3.623,42 5.44,43 3.492,44 4.121,45 4.303,46 3.647,47 3.425,48 5.351,49 3.348,50 3.991,51 4.185,52 3.767,53 3.272,54 5.274,55 3.213,56 0.17,57 0.536,58 2.858,59 2.469,60 14.31,61 2.469,62 0.39,63 0.798,64 8.713,65 4.525,66 25.073,67 4.962,68 0.474,69 0.895,70 17.905,71 5.642,72 34.119,73 5.671,74 0.676,75 0.942,76 20.59,77 6.974,78 46.339,79 8.206,80 0.643,81 0.9,82 18.87,83 6.857,84 50.331,85 7.693,86 0.618,87 0.728,88 30.192,89 7.559,90 48.818,91 8.64,92 0.476,93 0.618,94 16.785,95 4.721,96 39.671,97 4.719,98 0.482,99 0.503,100 15.882,101 4.368,102 35.984,103 4.643,104 37,105 37,106 0.348,107 0.727,108 0.801,109 0.836,110 0.836,111 0.836,112 3.189,113 0.918,114 -4.73,115 -4.65,116 -4.37,119 40,124 1,125 1,139 2,140 2,141 4,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 1,169 2,170 7,172 3,173 3,175 1,178 3,180 1,182 3,187 1,189 4,191 1,192 2,193 2,195 3,196 3,197 1,198 1,200 2,201 5,204 1,205 1,206 2,207 1,209 1,210 1,212 1,215 2,218 1,221 2,229 2,234 4,236 1,237 1,239 2,241 3,243 2,246 2,254 1,260 5,265 4,270 4,273 649,274 14.878,275 14.878,276 14.878,277 14.878,278 14.878,279 12.794,280 19.285,281 8.37,282 15.489,283 12.274,284 12.274,285 12.274,286 12.274,287 12.274,288 9.161,289 28.905,290 3.949,291 13.487,292 3.22,293 1.139,294 0.729,295 0.536,296 0.536,297 0.536,298 3.859,299 3,300 1,301 1,302 1,303 456,304 2.915,306 49.137,307 134.188,310 92.148,314 1.319,315 26.254,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 50.5,327 215,328 4.641,329 3.514,330 6.786,331 4.174,332 3.2,333 4.609,334 0.916,335 11.136,336 3.123,337 4.388,338 3.295,339 6.363,340 3.922,341 3.023,342 4.074,343 0.172,344 9.547,345 2.706,346 3.807,347 2.943,348 5.924,349 3.47,350 2.579,351 3.18,353 8.098,354 2.232,355 3.65,356 2.623,357 5.296,358 3.206,359 2.282,360 3,362 6.642,363 2.059,364 3.405,365 2.44,366 5.063,367 2.923,368 1.98,369 2.786,371 5.791,372 1.864,373 3.232,374 2.067,375 4.879,376 2.707,377 1.879,378 2.481,380 5.225,381 1.628,382 3.055,383 1.97,384 4.784,385 2.675,386 1.718,387 2.231,389 5.062,390 1.441,391 2.488,392 1.787,393 4.125,394 2.142,395 1.211,396 1.485,398 3.313,399 1.105,400 2.259,401 1.278,402 3.588,403 1.796,404 0.82,405 1.162,407 2.073,408 0.797,409 1.529,410 0.86,411 3.053,412 1.028,413 0.376,414 0.413,415 0.86,416 0.194,417 1.157,418 0.189,419 2.69,420 0.802,421 -0.113,422 -0.133,423 -0.295,424 -0.103,425 1,426 0.173,427 2.653,428 0.524,429 -0.347,430 -0.445,431 -0.898,432 -0.229,433 0.942,434 -0.245,435 2.539,436 0.473,437 -0.401,438 -0.518,439 -1.076,440 -0.369,441 0.577,442 -0.277,443 2.207,444 0.3,445 -0.618,446 -0.712,448 -1.502,449 -0.557,450 0.187,451 -0.379,452 2,453 -0.186,454 -1,455 -1.116,457 -2.483,458 -0.612,459 11.476,460 0.499,461 0.809,462 0.035,463 31.5,464 1.37,465 15.5,466 0.674,467 16,468 0.696,469 18.541,470 0.806,471 24.524,472 0.701,473 21.881,474 0.951,475 6.225,476 0.271,477 4.638,478 0.202,479 0.3,481 0.427,485 0.903,486 1.33,487 0.503,488 0.724,489 1.007,490 0.69,491 0.792,492 0.793,493 0.531,494 0.529,495 0.505,496 0.561,497 0.954,498 1.346,499 0.772,500 0.987,501 0.854,502 1.008,503 0.603,504 1.107,505 0.668,506 1.037,507 0.579,508 1.109,509 0.989,510 0.761,511 0.783,512 0.867,513 1.063,514 1.067,515 1.232,516 0.966,517 1.335,518 1.226,519 1.109,520 1.204,521 1.439,522 0.898,523 1.235,524 0.956,525 1.454,526 1.027,527 1.062,528 0.989,529 0.993,530 0.82,531 1.138,532 0.738,533 6,534 0.091,535 3.333,536 2.347,537 1.729,538 0.792,539 0.436,540 0.314,541 0.368,542 0.183,543 5256,544 22053,545 1.991,546 34.3,548 7,549 1,551 4,555 1.657,556 1.792,557 3.184,558 1.951,560 1,564 66.838,565 1.91,566 3.99,567 4.4,568 4.593,569 4.593,570 4.593,571 2.644,572 4.056,573 4.5,574 3.314,575 838.48,576 7.745,577 9371.92,578 1,579 1,580 1,581 1,582 179.525,583 1.55,584 4.413,585 0.24,586 0.011,587 0.09,588 0.062,589 0.052,590 0.032,591 0.019,592 0.014,593 0.018,594 0.011,595 0.549,596 0.17,597 1,598 0.702,599 106.709,600 -0.194,601 -0.123,602 -0.018,603 0.039,604 -0.277,605 0.056,606 0.037,607 0.333,608 0.103,609 0.312,610 0.186,611 0.278,612 -0.088,613 -0.27,614 0.081,615 -0.095,616 -0.044,617 -0.156,618 0.296,619 -0.125,620 0.109,621 -0.109,622 0.249,623 -0.142,624 -0.106,625 0.206,626 -0.037,627 0.071,628 -0.194,629 -0.057,630 -0.231,631 -0.134,632 -0.233,633 -0.151,634 -0.176,635 -0.096,636 -0.391,637 0.084,638 -0.245,639 0.006,640 -0.386,641 -0.083,642 0.037,643 -0.07,644 0.141,645 0.203,646 -0.029,647 0.279,648 1.597,649 1.956,650 0.652,651 15.966,652 1.035,653 1.132,654 3.501,655 12.259,656 0.739,657 3.258,658 3.638,659 3.912,660 4.174,661 4.331,662 4.407,663 4.394,664 4.431,665 4.5,666 4.5,667 5.496,668 0.713,669 372.66,670 3.258,671 4.828,672 5.694,673 6.594,674 7.475,675 8.377,676 9.262,677 10.164,678 11.052,679 11.954,680 14.3,684 2,686 1,690 2,694 2,695 3,696 2,698 1,700 7,702 16,711 2,714 1,717 3,718 35,719 16,720 1,721 25,723 37,724 14,725 12,726 4,727 2,729 3,730 4,731 3,741 12,742 2,754 1,756 1,757 12,758 6,759 4,760 9,761 3,764 5,769 0.667,770 1,776 1,780 1,781 2,784 1,802 2,806 1,807 3,810 23,811 2,816 1,821 1,828 3,829 2.9,834 1,836 12.833,837 6.612,838 4.917,839 1.775,840 3.082,841 1.442,842 1.007,843 4.574,844 10.054,845 3.526,846 4.23,847 4.857,848 5.471,849 5.945,850 6.239,851 6.475,852 6.79,853 6.951,854 7.188,855 1,856 38,857 8.388,859 3.582,860 7.949,861 15.492,863 12.498,865 2.449,866 56.333,870 94.169,871 68.846,872 102.49,873 117.446,874 9.507,877 68.846,878 221.122,879 102.49,880 8.396,881 2.106,882 96.486,883 37.978,884 31.649,885 15.998,886 82.398,887 117.446,888 94.169,889 171.335,890 9.507,891 117.446,893 94.169,894 9.507,897 8.412,898 129.352,899 151.017,901 94.169,902 111.997,903 186.292,906 94.169,907 29.757,908 42.213,910 226.319,911 94.169,912 111.997,913 186.292,915 0.604,916 0.36,917 0.188,918 0.096,919 19,920 10,921 0.081,922 3,923 1,924 1.133,925 3.381,926 186.62,927 0.133,928 15,929 98.042,933 16.605,934 6.335,935 3.201,936 0.989,937 111.997,938 5.038,939 7.98,941 5.403,943 3.058,945 65.794,946 392.457,947 33,956 36.225,957 39.609,958 0.372,959 0.778,960 0.858,961 0.896,962 0.896,963 0.896,964 4.787,965 1.211,966 5.727,967 5.062,968 4.317,969 4.916,970 0.918,971 6.583,972 4.143,973 6.05,974 0.82,975 7.327,976 3.313,977 4.111,978 4.956,979 0.325,980 7.554,981 3.798,982 7.395,983 0.376,984 9.021,985 2.073,986 5.969,987 7.24,988 0.671,989 10.663,990 5.674,991 8.775,992 -0.113,993 10.767,994 0.86,995 6.509,996 8.055,997 0.393,998 12.425,999 6.103,1000 10.183,1001 -0.347,1002 12.545,1003 -0.295,1004 7.907,1005 9.871,1006 0.533,1007 15.073,1008 7.514,1009 11.611,1010 -0.401,1011 14.346,1012 -0.898,1013 8.779,1014 11.053,1015 0.384,1016 17.185,1017 8.313,1018 13.056,1019 -0.618,1020 16.164,1021 -1.076,1022 10.01,1023 12.685,1024 0.438,1025 19.667,1026 9.541,1027 3.2,1028 -1,1029 17.996,1030 -1.502,1031 11.031,1032 14.043,1033 0.351,1034 21.936,1035 10.517,1036 3.023,1037 11.136,1038 19.84,1039 -2.483,1040 12.201,1041 15.6,1042 0.366,1043 24.357,1044 11.674,1045 2.579,1046 9.547,1047 21.692,1048 4.609,1049 13.289,1050 17.041,1051 0.312,1052 26.696,1053 12.732,1054 2.282,1055 8.098,1056 23.553,1057 4.074,1058 14.438,1059 18.57,1060 0.309,1061 29.097,1062 13.865,1063 1.98,1064 6.642,1065 25.419,1066 3.18,1067 15.556,1068 20.05,1069 0.273,1070 31.469,1071 14.959,1072 1.879,1073 5.791,1074 27.291,1075 3,1076 16.7,1077 21.568,1078 0.262,1079 33.866,1080 16.086,1081 1.718,1082 5.225,1083 29.168,1084 2.786,1085 17.832,1086 23.067,1087 0.236,1088 36.253,1089 17.199,1090 5203,1091 10790,1092 15.838,1093 25.864,1094 38.507,1095 39.665,1096 40.523,1097 38.246,1098 38.139,1099 50.844,1100 2.178,1101 115.494,1102 34.303,1103 5.482,1104 5.514,1105 6.051,1106 5.246,1107 5.2,1108 7.609,1109 1.605,1110 18.03,1111 5.123,1112 14.483,1113 1.54,1114 1.587,1115 1.621,1116 1.53,1117 1.526,1118 2.034,1119 0.087,1120 4.62,1121 1.372,1122 4.092,1123 4.114,1124 4.197,1125 3.95,1126 5.363,1127 3.973,1128 3.913,1129 3.928,1130 4.059,1131 3.855,1132 5.102,1133 3.853,1134 3.486,1135 3.557,1136 3.582,1137 3.273,1138 4.984,1139 3.293,1140 3.298,1141 3.367,1142 3.498,1143 3.044,1144 4.946,1145 3.069,1146 3.08,1147 3.197,1148 3.327,1149 2.849,1150 4.632,1151 2.815,1152 2.901,1153 2.936,1154 3.224,1155 2.729,1156 4.445,1157 2.779,1158 2.83,1159 2.918,1160 2.967,1161 2.675,1162 4.276,1163 2.644,1164 2.76,1165 2.788,1166 2.829,1167 2.553,1168 4.134,1169 2.548,1170 0.186,1171 0.141,1172 0.271,1173 0.167,1174 0.128,1175 4.641,1176 0.184,1177 3.514,1178 0.037,1179 6.786,1180 0.445,1181 4.174,1182 0.125,1183 3.2,1184 4.609,1185 0.916,1186 11.136,1187 3.123,1188 1.895,1189 1.877,1190 1.951,1191 2.016,1192 1.159,1193 2,1194 1.804,1195 1.777,1196 1.833,1197 1.949,1198 1,1199 1.926,1200 1.497,1201 1.457,1202 1.649,1203 1.705,1204 0.711,1205 1.7,1206 1.221,1207 1.156,1208 1.498,1209 1.493,1210 0.517,1211 1.494,1212 0.958,1213 0.884,1214 1.252,1215 1.356,1216 0.164,1217 1.332,1218 0.882,1219 0.827,1220 1.168,1221 1.258,1222 0.105,1223 1.249,1224 0.849,1225 0.768,1226 1.005,1227 0.962,1229 1.004,1230 0.743,1231 0.704,1232 1,1233 0.959,1235 0.991,1236 3.932,1238 5.293,1239 2.398,1240 6.838,1241 4.727,1242 8.473,1243 6.843,1244 10.154,1246 1.878,1247 18.103,1250 11.475,1252 0.485,1257 1.925,1262 24.938,1263 66.838,1264 139.651,1265 154.015,1266 160.77,1267 160.77,1268 160.77,1269 37.987,1270 6.972,1271 94.2,1272 94.2,1273 17,1274 12.477,1275 4.087,1276 3.17,1277 36.863,1278 77,1279 68,1280 0.242,1281 165.358,1282 271.92,1283 395.233,1284 9006,1285 8.6,1286 16.723,1287 0.727,1288 0.619,1289 18.223,1290 14.245,1291 10.863,1292 0.435,1293 0.306,1294 6.49,1295 9.607,1296 6.222,1297 5.129,1298 11.729,1299 7.646,1300 10.487,1301 0.283,1302 0.167,1303 11.562,1304 6.18,1305 8.757,1306 0.179,1307 0.093,1308 10.254,1309 4.569,1310 7.258,1311 0.113,1312 0.045,1313 8.074,1314 2.857,1315 5.305,1316 0.071,1317 0.024,1318 5.887,1319 1.778,1320 0.374,1321 77.666,1322 0.251,1323 22.278,1324 0.681,1325 124,1326 411.905,1327 182.677,1328 490.145,1329 638.61,1330 452,1331 148,1332 407.741,1333 205.014,1334 443.074,1335 651.79,1336 413,1337 4.465}
{0 CHEMBL278261,1 1.449,2 9.375,3 2.625,4 6.892,5 98.913,6 7.581,7 0.778,8 3.86,9 4.002,10 3.447,11 3.402,12 5.013,13 3.393,14 4.338,15 4.517,16 3.822,17 3.807,18 5.452,19 3.775,20 4.54,21 4.73,22 3.872,23 3.941,24 5.561,25 3.885,26 4.665,27 4.886,28 3.847,29 3.959,30 5.7,31 3.871,32 4.72,33 4.973,34 3.62,35 3.922,36 5.673,37 3.794,38 4.664,39 4.948,40 3.477,41 3.822,42 5.477,43 3.665,44 4.463,45 4.737,46 3.449,47 3.65,48 5.405,49 3.541,50 4.297,51 4.556,52 3.407,53 3.501,54 5.304,55 3.42,56 0.051,57 0.695,58 8.434,59 3.154,60 10.656,61 4.348,62 0.21,63 1.08,64 14.741,65 5.65,66 20.235,67 7.81,68 0.102,69 1.268,70 18.35,71 6.876,72 14.385,73 9.754,74 0.26,75 1.373,76 22.047,77 8.223,78 29.616,79 11.749,80 0.351,81 1.365,82 24.761,83 8.043,84 39.866,85 11.74,86 0.173,87 1.194,88 24.723,89 9.02,90 26.984,91 13.378,92 0.214,93 1.026,94 19.95,95 6.553,96 30.256,97 9.782,98 0.128,99 0.898,100 16.404,101 5.308,102 20.405,103 7.985,104 10,105 39,106 0.25,107 0.62,108 0.75,109 0.831,110 0.87,111 0.886,112 3.229,113 0.857,114 -4.55,115 -4.47,116 -4.21,119 42.9,124 1,125 1,139 7,140 4,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 10,169 1,170 5,172 3,173 4,175 3,178 11,180 1,182 6,187 1,189 9,191 1,193 3,195 1,196 3,197 3,198 1,200 4,201 7,204 1,205 1,206 2,207 1,209 1,210 1,212 1,215 7,218 1,226 2,229 6,234 4,236 1,237 1,239 5,241 4,243 2,246 6,251 6,254 1,256 3,260 6,265 6,270 5,273 714,274 16.292,275 16.292,276 16.292,277 16.292,278 16.292,279 13.803,280 16.551,281 9.478,282 16.624,283 13.337,284 13.337,285 13.337,286 13.337,287 13.337,288 9.614,289 25.146,290 4.477,291 13.884,292 3.944,293 1.801,294 1.046,295 0.578,296 0.351,297 0.256,298 3.927,300 1,301 1,302 1,303 498,304 2.828,306 46.155,307 168.248,310 87.27,311 94.648,314 1.292,315 15.031,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51,327 225,328 4.643,329 3.335,330 6.791,331 4.175,332 3.208,333 4.609,334 0.916,335 11.153,336 3.106,337 4.523,338 3.166,339 6.656,340 4.068,341 3.088,342 4.445,343 0.172,344 10.672,345 3.028,346 3.765,347 2.654,348 5.684,349 3.412,350 2.464,351 3.178,353 7.518,354 2.333,355 3.624,356 2.381,357 5.289,358 3.188,359 2.252,360 3.016,362 6.586,363 2.105,364 3.405,365 2.066,366 5.063,367 2.899,368 1.98,369 2.787,371 5.791,372 1.818,373 3.118,374 1.906,375 4.8,376 2.696,377 1.735,378 2.427,380 5.094,381 1.66,382 3.081,383 1.618,384 4.424,385 2.618,386 1.618,387 2.261,389 4.034,390 1.618,391 2.788,392 1.49,393 3.937,394 2.344,395 1.374,396 1.92,398 3.372,399 1.331,400 2.665,401 1.256,402 3.589,403 2.235,404 1.243,405 1.717,407 2.769,408 1.23,409 2.289,410 0.871,411 3.576,412 1.766,413 0.832,414 1.197,415 2.085,416 0.775,417 2.106,418 0.742,419 3.248,420 1.666,421 0.687,422 0.958,423 1.666,424 0.672,425 1.186,426 0.183,427 2.773,428 0.851,429 -0.09,430 -0.107,431 -0.24,432 -0.084,433 1.028,434 -0.26,435 2.654,436 0.565,437 -0.376,438 -0.5,439 -1.013,440 -0.349,441 0.902,442 -0.355,443 2.355,444 0.476,445 -0.477,446 -0.63,448 -1.169,449 -0.457,450 0.882,451 -0.404,452 2.239,453 0.382,454 -0.618,455 -0.733,457 -1.478,458 -0.58,459 11.4,460 0.475,461 0.627,462 0.026,463 35.75,464 1.49,465 19.5,466 0.813,467 16.25,468 0.677,469 15.918,470 0.663,471 24.6,472 0.586,473 25.059,474 1.044,475 7.165,476 0.299,477 4.466,478 0.186,479 0.114,481 0.386,485 1.198,486 1.224,487 0.814,488 0.896,489 1.307,490 0.818,491 0.734,492 0.834,493 0.77,494 0.822,495 0.449,496 0.804,497 1.009,498 1.262,499 0.974,500 1.128,501 0.837,502 1.06,503 0.671,504 1.075,505 1.007,506 1.185,507 0.57,508 1.15,509 1.27,510 0.839,511 1.315,512 1.055,513 1.363,514 1.167,515 0.651,516 0.939,517 0.91,518 1.033,519 0.594,520 1.012,521 0.982,522 0.833,523 0.911,524 0.837,525 1.079,526 0.86,527 1.013,528 1.121,529 0.844,530 0.937,531 0.831,532 0.88,533 4.5,534 0.087,535 2.889,536 2.285,537 1.4,538 0.743,539 0.401,540 0.313,541 0.219,542 0.128,543 6346,544 15967,545 2.135,546 42.9,548 12,549 1,551 5,555 1.67,556 2,557 3.192,558 2.619,559 1,560 1,564 60.85,565 1.449,566 3.592,567 4.347,568 4.815,569 5.041,570 5.136,571 2.622,572 4.137,573 4.562,574 3.315,575 914.959,576 7.875,577 10466.4,578 1,579 1,581 1,582 226.477,583 1.406,584 4.518,585 0.167,586 0.01,587 0.074,588 0.057,589 0.038,590 0.027,591 0.016,592 0.013,593 0.009,594 0.008,595 0.417,596 0.17,597 1,598 0.566,599 112.597,600 -0.188,601 -0.044,602 0.025,603 0.073,604 -0.3,605 0.077,606 0.254,607 0.282,608 0.116,609 0.156,610 0.266,611 0.124,612 -0.111,613 -0.201,614 -0.08,615 -0.138,616 -0.087,617 -0.11,618 0.259,619 -0.066,620 -0.069,621 -0.201,622 0.241,623 -0.184,624 -0.202,625 0.154,626 -0.334,627 -0.103,628 -0.332,629 -0.213,630 0.063,631 -0.088,632 0.099,633 0.005,634 0.093,635 0.048,636 -0.024,637 0.09,638 0.102,639 0.147,640 -0.056,641 0.143,642 -0.013,643 -0.173,644 0.158,645 0.035,646 0.139,647 0.105,648 1.49,649 2.038,650 0.792,651 16.229,652 0.998,653 1.131,654 3.318,655 11.007,656 0.681,657 3.332,658 3.689,659 4.007,660 4.331,661 4.511,662 4.564,663 4.644,664 4.745,665 4.804,666 4.779,667 5.517,668 0.65,669 318.42,670 3.332,671 4.89,672 5.765,673 6.668,674 7.556,675 8.463,676 9.355,677 10.262,678 11.156,679 12.063,680 14.3,684 2,686 1,688 1,690 2,694 4,695 8,696 2,697 1,700 4,702 21,711 2,714 1,718 42,719 21,720 2,721 27,723 45,724 18,725 16,726 3,727 7,729 4,730 6,741 16,742 2,753 1,754 1,757 18,758 5,759 5,760 6,764 6,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,806 1,810 24,811 2,816 1,821 1,836 12,837 7.683,838 5.167,839 2.272,840 4.283,841 1.574,842 1.065,843 3.598,844 11.75,845 3.651,846 4.353,847 5.043,848 5.714,849 6.241,850 6.544,851 6.911,852 7.288,853 7.541,854 7.634,855 1,856 40,857 8.793,859 3.754,860 7.639,861 16.871,863 13.997,865 2.139,866 51.333,869 1,870 153.024,871 105.487,872 119.275,877 105.487,878 153.024,879 119.275,880 8.396,881 2.106,882 141.176,883 35.286,884 33.571,885 15.998,886 141.253,888 153.024,889 224.762,893 153.024,897 22.506,898 168.685,899 33.571,901 153.024,902 119.275,903 105.487,906 153.024,907 21.709,908 86.902,909 16.786,910 99.365,911 153.024,912 119.275,913 105.487,915 0.589,916 0.356,917 0.208,918 0.108,919 21,920 9,921 0.067,922 3,923 2,924 1.211,925 3.583,926 205.811,927 0.211,928 19,929 108.039,933 14.937,934 5.782,935 2.614,936 3.935,937 102.49,938 16.579,939 8.27,940 3.126,943 2.784,945 82.58,946 377.786,947 37.5,956 41.912,957 47.481,958 0.269,959 0.666,960 0.806,961 0.893,962 0.935,963 0.953,964 4.885,965 1.374,966 5.765,967 4.034,968 4.369,969 5.04,970 0.918,971 6.621,972 4.293,973 6.129,974 1.243,975 7.349,976 3.372,977 4.007,978 4.956,979 0.325,980 7.603,981 3.889,982 7.462,983 0.832,984 9.035,985 2.769,986 5.999,987 7.389,988 0.671,989 10.748,990 5.859,991 8.836,992 0.687,993 10.782,994 2.085,995 6.463,996 8.167,997 0.393,998 12.582,999 6.292,1000 10.244,1001 -0.09,1002 12.569,1003 1.666,1004 7.936,1005 10.061,1006 0.533,1007 15.241,1008 7.744,1009 11.677,1010 -0.376,1011 14.384,1012 -0.24,1013 8.783,1014 11.245,1015 0.384,1016 17.415,1017 8.567,1018 13.13,1019 -0.477,1020 16.22,1021 -1.013,1022 10.054,1023 12.917,1024 0.438,1025 19.907,1026 9.815,1027 3.208,1028 -0.618,1029 18.07,1030 -1.169,1031 11.073,1032 14.288,1033 0.351,1034 22.215,1035 10.811,1036 3.088,1037 11.153,1038 19.933,1039 -1.478,1040 12.266,1041 15.867,1042 0.366,1043 24.647,1044 11.98,1045 2.464,1046 10.672,1047 21.805,1048 4.609,1049 13.36,1050 17.32,1051 0.312,1052 27.008,1053 13.049,1054 2.252,1055 7.518,1056 23.684,1057 4.445,1058 14.524,1059 18.861,1060 0.309,1061 29.417,1062 14.188,1063 1.98,1064 6.586,1065 25.568,1066 3.178,1067 15.65,1068 20.349,1069 0.273,1070 31.799,1071 15.287,1072 1.735,1073 5.791,1074 27.458,1075 3.016,1076 16.805,1077 21.875,1078 0.262,1079 34.201,1080 16.416,1081 1.618,1082 5.094,1083 29.35,1084 2.787,1085 17.945,1086 23.378,1087 0.236,1088 36.592,1089 17.529,1090 5974,1091 9598,1092 18.205,1093 28.603,1094 41.46,1095 40.952,1096 42.555,1097 41.029,1098 40.964,1099 57.031,1100 2.178,1101 121.48,1102 39.353,1103 5.486,1104 5.335,1105 6.48,1106 5.248,1107 5.208,1108 7.609,1109 1.605,1110 18.327,1111 5.106,1112 10.399,1113 1.536,1114 1.517,1115 1.576,1116 1.52,1117 1.517,1118 2.112,1119 0.081,1120 4.499,1121 1.458,1122 4.134,1123 4.175,1124 4.1,1125 4.055,1126 5.322,1127 4.056,1128 4.055,1129 4.085,1130 4.018,1131 3.951,1132 4.982,1133 3.969,1134 3.556,1135 3.627,1136 3.463,1137 3.415,1138 4.903,1139 3.414,1140 3.426,1141 3.493,1142 3.339,1143 3.248,1144 4.767,1145 3.264,1146 3.314,1147 3.4,1148 3.185,1149 3.078,1150 4.36,1151 3.098,1152 3.096,1153 3.216,1154 2.975,1155 2.85,1156 4.155,1157 2.846,1158 2.961,1159 3.023,1160 2.818,1161 2.768,1162 4.057,1163 2.797,1164 2.849,1165 2.969,1166 2.589,1167 2.586,1168 3.745,1169 2.572,1170 0.172,1171 0.124,1172 0.252,1173 0.155,1174 0.119,1175 4.643,1176 0.171,1177 3.335,1178 0.034,1179 6.791,1180 0.413,1181 4.175,1182 0.115,1183 3.208,1184 4.609,1185 0.916,1186 11.153,1187 3.106,1188 2.074,1189 2.054,1190 2.156,1191 2.138,1192 1.305,1193 2.145,1194 1.83,1195 1.793,1196 1.887,1197 2.009,1198 1.084,1199 1.972,1200 1.596,1201 1.532,1202 1.757,1203 1.812,1204 0.795,1205 1.808,1206 1.468,1207 1.422,1208 1.646,1209 1.622,1210 0.682,1211 1.63,1212 1.278,1213 1.194,1214 1.56,1215 1.52,1216 0.6,1217 1.541,1218 1.03,1219 0.943,1220 1.298,1221 1.382,1222 0.34,1223 1.367,1224 0.986,1225 0.913,1226 1.254,1227 1.273,1228 0.284,1229 1.285,1230 0.897,1231 0.773,1232 1.222,1233 1.139,1234 0.061,1235 1.174,1236 4.007,1238 5.352,1239 2.398,1240 6.899,1241 4.727,1242 8.543,1243 6.843,1244 10.238,1246 2.064,1250 11.693,1252 0.686,1257 2.195,1262 27.289,1263 60.85,1264 150.852,1265 182.561,1266 202.213,1267 211.722,1268 215.722,1269 27.505,1270 7.467,1271 96.85,1272 96.85,1273 23,1274 12.583,1275 4.459,1276 3.524,1277 33.833,1278 81,1279 74,1280 0.21,1281 168.278,1282 269.16,1283 402.359,1284 18029,1286 16.681,1287 0.695,1288 0.555,1289 16.681,1290 13.322,1291 11.631,1292 0.431,1293 0.286,1294 7.611,1295 11.262,1296 7.407,1297 6.172,1298 11.631,1299 7.711,1300 10.745,1301 0.276,1302 0.15,1303 10.745,1304 5.859,1305 9.169,1306 0.17,1307 0.079,1308 9.169,1309 4.244,1310 8.429,1311 0.112,1312 0.042,1313 8.429,1314 3.151,1315 6.45,1316 0.072,1317 0.023,1318 6.45,1319 2.036,1320 0.323,1321 72.294,1322 0.234,1323 23.072,1324 0.593,1325 132,1326 329.893,1327 142.241,1328 334.687,1329 476.04,1330 314,1331 159,1332 371.761,1333 169.491,1334 382.775,1335 561.85,1336 360,1337 5.086}
{0 CHEMBL278345,1 1.548,2 8.727,3 2.959,4 8.753,5 89.289,6 6.873,7 0.522,8 3.863,9 3.999,10 3.341,11 3.31,12 4.996,13 3.294,14 4.367,15 4.565,16 3.642,17 3.656,18 5.416,19 3.612,20 4.504,21 4.693,22 3.757,23 3.812,24 5.535,25 3.755,26 4.665,27 4.882,28 3.734,29 3.876,30 5.675,31 3.792,32 4.734,33 4.947,34 3.635,35 3.895,36 5.683,37 3.788,38 4.761,39 5.021,40 3.513,41 3.842,42 5.624,43 3.699,44 4.719,45 5.014,46 3.438,47 3.703,48 5.565,49 3.541,50 4.535,51 4.831,52 3.272,53 3.483,54 5.476,55 3.34,56 0.038,57 0.631,58 10.122,59 3.711,60 11.925,61 5.329,62 0.275,63 0.915,64 17.998,65 6.351,66 28.161,67 8.814,68 0.218,69 1.077,70 20.186,71 7.062,72 23.034,73 10.374,74 0.265,75 1.167,76 24.331,77 8.248,78 37.259,79 11.958,80 0.351,81 1.185,82 26.5,83 8.704,84 39.732,85 12.544,86 0.303,87 1.163,88 27.459,89 8.778,90 37.293,91 13.321,92 0.385,93 1.034,94 26.842,95 8.386,96 40.476,97 13.097,98 0.4,99 0.874,100 22.552,101 6.018,102 42.308,103 10.006,104 36,105 31,106 0.273,107 0.609,108 0.801,109 0.833,110 0.841,111 0.865,112 3.147,113 0.938,114 -3.76,115 -3.72,116 -3.54,119 36.4,120 1,121 3,124 2,139 2,140 3,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 4,172 3,173 3,175 1,178 8,180 1,181 1,182 7,187 1,189 7,191 1,193 7,195 1,196 1,197 1,198 2,200 2,201 5,204 2,205 1,207 8,212 3,215 4,218 3,221 4,226 2,229 3,231 2,233 2,234 2,236 1,237 1,239 3,241 1,243 3,245 2,246 2,248 1,249 1,251 2,256 2,260 2,262 1,263 1,265 2,270 2,273 636,274 14.834,275 14.834,276 14.834,277 14.834,278 14.834,279 13.281,280 21.154,281 8.78,282 15.351,283 11.18,284 11.18,285 11.18,286 11.18,287 11.18,288 8.725,289 27.402,290 3.894,291 11.826,292 3.912,293 2.003,294 0.915,295 0.733,296 0.688,297 0.551,298 3.805,300 1,301 1,302 1,303 388,304 2.915,307 152.68,314 1.231,315 19.177,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 48,327 192,328 4.431,329 3.365,330 6.527,331 4.041,332 3.075,333 4.114,334 0.86,335 10.288,336 2.973,337 4.228,338 3.075,339 6.088,340 3.812,341 2.856,342 3.875,343 0.86,344 8.842,345 2.734,346 3.6,347 2.537,348 5.281,349 3.234,350 2.279,351 2.934,352 0.68,353 6.715,354 2.178,355 3.369,356 2.482,357 5.206,358 3.047,359 2.089,360 2.663,362 6.217,363 1.99,364 3.362,365 2.18,366 4.921,367 2.939,368 1.999,369 2.615,371 5.65,372 1.868,373 2.823,374 1.897,375 4.147,376 2.353,377 1.423,378 1.952,380 3.673,381 1.321,382 2.33,383 1.545,384 3.825,385 2.208,386 1.278,387 1.324,389 2.661,390 1.183,391 1.969,392 1.052,393 3.121,394 1.782,395 0.863,396 0.928,398 1.5,399 0.784,400 1.611,401 0.954,402 2.959,403 1.322,404 0.415,405 0.474,407 0.84,408 0.37,409 1.461,410 0.626,411 2.668,412 1.179,413 0.294,414 0.335,415 0.452,416 0.26,417 1,418 0.229,419 2.391,420 0.739,421 -0.208,422 -0.235,423 -0.34,424 -0.194,425 0.868,426 -0.138,427 2.359,428 0.586,429 -0.381,430 -0.451,431 -0.796,432 -0.369,433 0.794,434 -0.313,435 2.304,436 0.392,437 -0.515,438 -0.621,439 -1.242,440 -0.466,441 0.508,442 -0.318,443 1.926,444 0.186,445 -0.74,446 -0.878,448 -1.719,449 -0.673,450 0.288,451 -0.77,452 1.65,453 0.03,454 -0.949,455 -1.125,457 -2.129,458 -0.922,459 10.267,460 0.467,461 0.503,462 0.023,463 28,464 1.273,465 14,466 0.636,467 14,468 0.636,469 17.624,470 0.801,471 25.133,472 0.571,473 19.806,474 0.9,475 5.566,476 0.253,477 5.017,478 0.228,479 0.224,481 0.341,485 1.018,486 1.379,487 0.907,488 1.211,489 1.192,490 1.054,491 1.104,492 0.808,493 0.821,494 0.853,495 0.701,496 0.819,497 0.828,498 1.242,499 0.92,500 1.168,501 0.781,502 1.07,503 1.07,504 1.046,505 1.051,506 1.147,507 0.944,508 1.106,509 1.485,510 1.132,511 1.275,512 1.186,513 1.171,514 1.217,515 1.034,516 1.078,517 1.09,518 1.13,519 0.952,520 1.128,521 0.601,522 0.982,523 0.767,524 0.975,525 0.521,526 0.922,527 0.787,528 0.977,529 0.889,530 0.912,531 0.917,532 0.915,533 5,534 0.058,535 2.444,536 1.813,537 1.538,538 0.674,539 0.588,540 0.326,541 0.214,542 0.142,543 4239,544 11457,545 1.944,546 50,547 9,548 8,550 1,551 4,555 1.649,556 1.784,557 3.114,558 1.87,559 1,560 1,562 1,564 68.107,565 1.548,566 3.457,567 4.544,568 4.726,569 4.772,570 4.908,571 2.504,572 4.096,573 4.43,574 3.241,575 748.718,576 7.635,577 8222.55,579 1,581 1,582 240.215,583 1.529,584 4.365,585 0.217,586 0.012,587 0.079,588 0.053,589 0.048,590 0.024,591 0.024,592 0.015,593 0.012,594 0.012,595 0.496,596 0.17,597 1,598 1.283,599 100.406,600 -0.094,601 -0.079,602 0.026,603 -0.045,604 -0.174,605 0.011,606 0.038,607 0.287,608 0.159,609 0.221,610 0.186,611 0.199,612 0.084,613 -0.098,614 0.024,615 -0.065,616 0.03,617 -0.029,618 -0.063,619 0.022,620 -0.088,621 -0.095,622 -0.007,623 -0.094,624 -0.264,625 -0.12,626 -0.293,627 -0.14,628 -0.23,629 -0.217,630 -0.112,631 -0.129,632 -0.129,633 -0.125,634 -0.109,635 -0.131,636 0.228,637 -0.132,638 0.198,639 -0.005,640 0.249,641 0.071,642 0.162,643 -0.083,644 0.102,645 -0.008,646 0.107,647 0.028,648 1.486,649 1.974,650 0.545,651 16.992,652 1,653 1.14,654 2.526,655 6.38,656 0.631,657 3.178,658 3.466,659 3.714,660 3.951,661 4.127,662 4.111,663 4.127,664 4.174,665 4.174,666 4.06,667 5.294,668 0.597,669 302.42,670 3.178,671 4.691,672 5.525,673 6.395,674 7.251,675 8.125,676 8.988,677 9.863,678 10.729,679 11.605,680 9.1,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 2,718 44,719 12,720 1,721 23,723 45,724 16,725 10,726 4,727 2,729 2,730 2,734 1,739 3,741 10,742 6,753 1,754 1,757 22,758 6,759 4,760 6,764 4,769 1,770 2,776 1,781 2,802 2,806 3,810 22,811 2,816 3,818 2,829 4.5,834 2,836 12.333,837 8.65,838 5.167,839 2.529,840 2.25,841 1.348,842 0.943,843 5.58,844 8.705,845 3.401,846 3.989,847 4.538,848 5.075,849 5.577,850 5.7,851 5.897,852 6.231,853 6.544,854 6.782,855 0.833,856 34,857 8.061,859 3.21,860 7.735,861 15.338,863 11.788,865 2.235,866 49.167,869 1,870 211.88,871 90.465,872 99.365,874 22,877 90.465,878 233.88,879 99.365,880 30.591,881 7.604,882 84.747,883 45.342,884 51.091,885 4.227,886 200.109,888 211.88,889 189.831,890 22,893 211.88,894 22,897 27.375,898 128.884,899 33.571,901 211.88,902 121.365,903 90.465,906 211.88,907 31.874,908 58.591,910 121.365,911 211.88,912 121.365,913 90.465,915 0.562,916 0.343,917 0.195,918 0.106,919 13,920 7,921 0.133,922 6,924 1,925 3.277,926 164.358,928 12,929 98.107,933 16.525,934 7.428,935 3.884,937 121.365,938 5.725,939 7.995,943 5.117,945 65.794,946 423.71,947 29,956 44.014,957 50.149,958 0.284,959 0.633,960 0.832,961 0.866,962 0.874,963 0.899,964 4.615,965 0.863,966 5.509,967 2.661,968 4.143,969 4.673,970 1.586,971 6.312,972 4.044,973 5.822,974 0.415,975 7.067,976 1.5,977 3.761,978 4.559,980 7.209,981 3.633,982 7.133,983 0.294,984 8.723,985 0.84,986 5.727,987 6.878,988 1.285,989 10.28,990 5.556,991 8.481,992 -0.208,993 10.434,994 0.452,995 6.133,996 7.524,998 11.964,999 5.924,1000 9.858,1001 -0.381,1002 12.18,1003 -0.34,1004 7.583,1005 9.354,1006 1.035,1007 14.559,1008 7.346,1009 11.255,1010 -0.515,1011 13.949,1012 -0.796,1013 8.36,1014 10.356,1016 16.588,1017 8.08,1018 12.667,1019 -0.74,1020 15.736,1021 -1.242,1022 9.601,1023 11.975,1024 0.828,1025 19.011,1026 9.296,1027 3.075,1028 -0.949,1029 17.536,1030 -1.719,1031 10.553,1032 13.16,1034 21.196,1035 10.208,1036 2.856,1037 10.288,1038 19.347,1039 -2.129,1040 11.71,1041 14.675,1042 0.656,1043 23.553,1044 11.337,1045 2.279,1046 8.842,1047 21.167,1048 4.114,1049 12.745,1050 15.958,1052 25.809,1053 12.332,1054 2.089,1055 6.715,1056 22.994,1057 3.875,1058 13.868,1059 17.419,1060 0.515,1061 28.141,1062 13.426,1063 1.999,1064 6.217,1065 24.826,1066 2.934,1067 14.941,1068 18.754,1070 30.431,1071 14.462,1072 1.423,1073 5.65,1074 26.664,1075 2.663,1076 16.052,1077 20.187,1078 0.401,1079 32.755,1080 15.543,1081 1.278,1082 3.673,1083 28.507,1084 2.615,1085 17.144,1086 21.551,1088 35.062,1089 16.598,1090 4411,1091 7363,1092 14.622,1093 27.784,1094 33.15,1095 33.965,1096 35.631,1097 33.053,1098 33.141,1099 42.427,1100 4.8,1101 93.676,1102 31.321,1103 5.21,1104 5.365,1105 6.291,1106 5.11,1107 5.075,1108 7.114,1109 1.72,1110 17.221,1111 4.973,1112 13.115,1113 1.441,1114 1.477,1115 1.549,1116 1.437,1117 1.441,1118 1.845,1119 0.209,1120 4.073,1121 1.362,1122 4.006,1123 4.032,1124 3.958,1125 3.925,1126 5.291,1127 3.928,1128 3.826,1129 3.873,1130 3.788,1131 3.667,1132 4.979,1133 3.69,1134 3.538,1135 3.609,1136 3.357,1137 3.392,1138 4.911,1139 3.374,1140 3.318,1141 3.377,1142 3.191,1143 3.076,1144 4.495,1145 3.097,1146 3.241,1147 3.31,1148 3.035,1149 2.952,1150 4.459,1151 2.955,1152 3.119,1153 3.224,1154 2.955,1155 2.863,1156 4.296,1157 2.866,1158 2.988,1159 3.106,1160 2.8,1161 2.733,1162 4.069,1163 2.726,1164 2.886,1165 2.99,1166 2.681,1167 2.621,1168 3.746,1169 2.635,1170 0.193,1171 0.146,1172 0.284,1173 0.176,1174 0.134,1175 4.431,1176 0.179,1177 3.365,1178 0.037,1179 6.527,1180 0.447,1181 4.041,1182 0.129,1183 3.075,1184 4.114,1185 0.86,1186 10.288,1187 2.973,1188 1.959,1189 1.939,1190 2.064,1191 2.063,1192 1.305,1193 2.061,1194 1.755,1195 1.711,1196 1.898,1197 1.943,1198 1.11,1199 1.924,1200 1.55,1201 1.484,1202 1.775,1203 1.745,1204 0.85,1205 1.772,1206 1.248,1207 1.187,1208 1.575,1209 1.539,1210 0.58,1211 1.549,1212 1.19,1213 1.112,1214 1.57,1215 1.519,1216 0.573,1217 1.536,1218 1.084,1219 0.992,1220 1.4,1221 1.387,1222 0.501,1223 1.39,1224 0.947,1225 0.848,1226 1.282,1227 1.279,1228 0.32,1229 1.298,1230 0.858,1231 0.744,1232 1.205,1233 1.163,1234 0.062,1235 1.197,1236 3.85,1238 5.142,1240 6.642,1242 8.246,1244 9.9,1246 5.422,1250 11.435,1252 2.556,1254 10.917,1262 26.256,1263 68.107,1264 152.102,1265 199.95,1266 207.95,1267 209.95,1268 215.95,1269 36.708,1270 6.455,1271 96.28,1272 96.28,1273 12,1274 12.146,1275 3.7,1276 2.807,1277 42.025,1278 69,1279 70,1280 0.305,1281 167.066,1282 284.58,1283 399.402,1284 4346,1286 16.113,1287 0.732,1288 0.601,1289 16.113,1290 13.219,1291 10.583,1292 0.46,1293 0.313,1294 7.058,1295 10.075,1296 6.779,1297 5.754,1298 10.583,1299 7.192,1300 9.018,1301 0.291,1302 0.163,1303 9.018,1304 5.056,1305 7.384,1306 0.185,1307 0.086,1308 7.384,1309 3.446,1310 6.225,1311 0.122,1312 0.048,1313 6.225,1314 2.454,1315 4.797,1316 0.079,1317 0.027,1318 4.797,1319 1.635,1320 0.466,1321 67.17,1322 0.262,1323 21.439,1324 0.871,1325 108,1326 327.386,1327 119.807,1328 313.744,1329 427.73,1330 294,1331 125,1332 313.063,1333 136.752,1334 321.265,1335 462.94,1336 297,1337 4.432}
{0 CHEMBL278515,1 1.763,2 13.938,3 0.659,4 0.434,5 115.138,6 8.194,7 0.471,8 4.113,9 4.227,10 3.717,11 3.535,12 5.412,13 3.574,14 4.594,15 4.747,16 4.096,17 3.915,18 5.997,19 3.928,20 4.843,21 5.016,22 4.141,23 4.06,24 6.093,25 4.052,26 4.983,27 5.176,28 4.144,29 4.091,30 6.254,31 4.065,32 4.987,33 5.197,34 4.057,35 4.054,36 6.343,37 4.01,38 4.888,39 5.099,40 4.033,41 3.982,42 6.318,43 3.939,44 4.759,45 4.947,46 3.92,47 3.871,48 6.193,49 3.848,50 4.714,51 4.951,52 3.705,53 3.726,54 5.925,55 3.684,56 0.272,57 0.816,58 9.83,59 4.101,60 37.551,61 5.012,62 0.678,63 1.226,64 18.166,65 7.005,66 92.328,67 9.097,68 0.788,69 1.451,70 24.927,71 8.404,72 106.754,73 11.235,74 1.106,75 1.513,76 31.391,77 9.766,78 142.047,79 13.155,80 1.268,81 1.441,82 33.122,83 9.918,84 181.371,85 13.395,86 1.146,87 1.303,88 30.422,89 9.77,90 171.472,91 13.572,92 0.925,93 1.201,94 24.755,95 7.703,96 135.407,97 10.259,98 0.856,99 1.084,100 26.536,101 6.832,102 108.391,103 9.982,104 74,105 48,106 0.291,107 0.707,108 0.836,109 0.873,110 0.879,111 0.879,112 3.502,113 0.839,114 -2.81,115 -2.82,116 -2.74,119 37,121 2,124 1,125 1,127 1,139 4,140 3,141 1,144 1,147 1,148 1,153 3,155 1,157 2,158 2,159 2,161 2,165 2,166 6,167 1,169 2,170 9,172 3,173 6,175 4,176 1,178 4,179 2,180 1,182 9,185 1,186 1,187 6,189 2,190 1,191 1,192 2,193 5,194 1,195 3,196 3,197 1,198 4,199 1,200 2,201 3,202 1,203 1,204 1,205 1,206 3,207 2,208 2,209 1,210 3,211 1,212 2,213 2,215 7,216 2,218 1,220 2,221 4,222 1,224 3,225 1,226 2,229 7,230 3,233 1,234 9,236 1,237 2,239 5,241 3,242 2,243 2,246 9,247 1,251 5,255 2,256 2,259 1,260 6,263 1,265 6,270 3,273 1772,274 20.723,275 20.723,276 20.723,277 20.723,278 20.723,279 18.316,280 26.293,281 12.015,282 21.042,283 16.728,284 16.728,285 16.728,286 16.728,287 16.728,288 12.997,289 34.138,290 5.68,291 17.239,292 3.992,293 1.467,294 0.681,295 0.458,296 0.421,297 0.421,298 4.176,301 1,303 929,304 4.743,306 84.453,307 219.795,310 156.585,314 2.262,315 53.188,318 0.5,319 0.67,320 0.5,321 0.6,323 0.5,324 0.5,325 0.47,326 73,327 446,328 4.641,329 3.777,330 6.786,331 4.174,332 3.198,333 4.609,334 2.375,335 11.135,336 3.123,337 4.231,338 3.592,339 6.139,340 3.902,341 2.915,342 3.797,343 2.341,344 8.961,345 2.878,346 3.959,347 3.521,348 6.011,349 3.718,350 2.757,351 3.241,352 1.061,353 8.535,354 2.651,355 3.803,356 3.306,357 5.81,358 3.533,359 2.547,360 3.133,361 0.916,362 7.813,363 2.488,364 3.68,365 3.003,366 5.299,367 3.235,368 2.299,369 2.989,370 0.172,371 6.662,372 2.158,373 3.524,374 2.462,375 5.063,376 3.177,377 2.172,378 2.788,379 0.14,380 5.791,381 2.144,382 3.406,383 2.174,384 4.787,385 2.924,386 1.98,387 2.687,389 5.125,390 1.867,391 3.111,392 2.084,393 4.645,394 2.742,395 1.777,396 2.272,398 5.091,399 1.705,400 2.918,401 2.062,402 4.306,403 2.499,404 1.514,405 1.995,407 3.976,408 1.478,409 2.524,410 1.85,411 3.97,412 2.212,413 1.225,414 1.5,415 3.081,416 1.191,417 2.5,418 1.314,419 3.602,420 2.005,421 1.011,422 1.469,423 2.514,424 1,425 2.387,426 1.104,427 3.586,428 2,429 1,430 1.295,431 2.275,432 0.996,433 2.244,434 1,435 3.414,436 1.792,437 0.815,438 1.142,439 2.067,440 0.795,441 1.57,442 0.861,443 2.881,444 1.341,445 0.34,446 0.383,448 0.768,449 0.334,450 1.18,451 0.547,452 2.737,453 0.855,454 -0.09,455 -0.107,457 -0.24,458 -0.085,459 14.4,460 0.45,461 1.021,462 0.032,463 41.5,464 1.297,465 20,466 0.625,467 21.5,468 0.672,469 25.739,470 0.804,471 36,472 0.667,473 36.909,474 1.153,475 8.603,476 0.269,477 6.548,478 0.205,479 0.206,481 0.41,485 0.933,486 1.38,487 0.774,488 1.072,489 0.816,490 0.892,491 0.55,492 1.039,493 0.708,494 1.003,495 0.411,496 0.914,497 0.954,498 1.276,499 1.008,500 1.155,501 0.941,502 1.103,503 1.017,504 1.074,505 1.071,506 1.094,507 1.029,508 1.107,509 0.988,510 0.829,511 1.105,512 0.983,513 0.984,514 1.062,515 0.692,516 0.939,517 0.822,518 1.005,519 0.637,520 0.972,521 1.034,522 1.095,523 1.12,524 1.135,525 0.949,526 1.146,527 1.121,528 0.966,529 1.065,530 0.887,531 1.046,532 0.936,533 8,534 0.197,535 4.222,536 2.597,537 1.907,538 1.445,539 0.721,540 0.467,541 0.379,542 0.294,543 14495,544 53855,545 1.958,546 40.7,548 10,549 1,551 7,552 2,553 2,555 1.741,556 1.778,557 3.716,558 4.155,560 1,564 95.198,565 1.763,566 4.288,567 5.074,568 5.296,569 5.334,570 5.334,571 3.222,572 4.664,573 4.971,574 3.936,575 1952.41,576 8.672,577 29884.3,579 1,582 310.764,583 1.561,584 4.895,585 0.235,586 0.008,587 0.088,588 0.053,589 0.041,590 0.034,591 0.017,592 0.013,593 0.013,594 0.011,595 0.512,596 0.17,597 0.88,598 1.688,599 171.283,600 -0.19,601 -0.099,602 -0.023,603 0.04,604 -0.155,605 0.065,606 0.207,607 0.145,608 0.123,609 0.066,610 0.225,611 0.065,612 -0.127,613 -0.176,614 -0.126,615 -0.115,616 -0.124,617 -0.119,618 -0.079,619 -0.069,620 -0.117,621 -0.088,622 -0.122,623 -0.119,624 -0.023,625 0.135,626 -0.117,627 0.005,628 -0.024,629 -0.067,630 0.211,631 -0.015,632 0.17,633 0.036,634 0.257,635 0.082,636 -0.077,637 -0.083,638 -0.172,639 -0.128,640 0.012,641 -0.164,642 -0.204,643 -0.036,644 -0.043,645 0.062,646 -0.131,647 0.066,648 2.965,649 5.367,650 0.469,651 36.813,652 1.03,653 1.14,654 1.584,655 2.508,656 0.645,657 3.555,658 3.892,659 4.111,660 4.344,661 4.511,662 4.615,663 4.635,664 4.663,665 4.754,666 4.787,667 8.162,668 0.641,669 442.48,670 3.555,671 5.106,672 5.943,673 6.821,674 7.679,675 8.562,676 9.429,677 10.314,678 11.186,679 12.074,680 11.1,684 2,686 1,687 1,690 2,694 2,695 5,696 2,698 1,700 5,702 16,707 1,711 2,714 1,718 54,719 19,720 1,721 34,723 56,724 20,725 12,726 2,727 4,728 1,729 3,730 4,739 3,741 15,742 5,744 3,748 3,751 3,754 1,756 1,757 22,758 12,759 7,760 12,764 6,769 0.667,770 6,776 1,780 1,781 2,784 1,792 2,800 2,802 2,806 1,810 32,811 2,815 2,816 3,817 1,820 1,821 1,829 11.1,831 2,832 3,834 1,836 18,837 9.583,838 7,839 2.824,840 3.245,841 1.428,842 0.927,843 7.298,844 10.823,845 3.829,846 4.428,847 4.96,848 5.53,849 6.005,850 6.32,851 6.615,852 6.879,853 7.052,854 7.288,855 1,856 49,857 11.851,859 5.16,860 8.297,861 21.283,863 16.977,865 2.797,866 89.5,870 176.567,871 92.075,872 120.5,874 170.309,877 92.075,878 346.875,879 120.5,880 8.396,881 25.186,882 115.439,883 205.304,884 24.333,885 15.998,886 164.795,888 176.567,889 212.576,890 170.309,893 153.024,894 193.851,897 31.492,898 147.513,899 33.571,901 176.567,902 290.809,903 92.075,906 176.567,907 34.034,908 61.165,909 18.011,910 269.674,911 176.567,912 290.809,913 92.075,915 0.59,916 0.33,917 0.169,918 0.092,919 21,920 12,921 0.161,922 9,923 1,924 1.133,925 4.232,926 276.934,927 0.133,928 15,929 156,933 23.468,934 9.952,935 5.746,936 0.865,937 290.809,938 8.007,939 7.961,941 5.413,943 2,945 169.172,946 559.451,947 45,951 34.297,954 -3.047,956 55.643,957 61.568,958 0.306,959 0.745,960 0.882,961 0.92,962 0.927,963 0.927,964 5.075,965 1.777,966 5.953,967 5.125,968 4.575,969 5.115,970 3.11,971 6.763,972 4.517,973 6.299,974 1.514,975 7.522,976 5.091,977 4.29,978 5.056,979 2.903,980 7.684,981 4.202,982 7.615,983 1.225,984 9.188,985 3.976,986 6.176,987 7.32,988 4.388,989 10.752,990 6.066,991 8.962,992 1.011,993 10.908,994 3.081,995 6.648,996 8.06,997 4.832,998 12.49,999 6.515,1000 10.339,1001 1,1002 12.663,1003 2.514,1004 8.057,1005 9.864,1006 5.948,1007 15.099,1008 7.903,1009 11.738,1010 0.815,1011 14.443,1012 2.275,1013 8.872,1014 10.995,1015 6.632,1016 17.197,1017 8.698,1018 13.155,1019 0.34,1020 16.243,1021 2.067,1022 10.099,1023 12.622,1024 7.604,1025 19.651,1026 9.904,1027 3.198,1028 -0.09,1029 18.057,1030 0.768,1031 11.077,1032 13.954,1033 8.385,1034 21.913,1035 10.863,1036 2.915,1037 11.135,1038 19.884,1039 -0.24,1040 12.235,1041 15.511,1042 9.295,1043 24.319,1044 12,1045 2.757,1046 8.961,1047 21.722,1048 4.609,1049 13.292,1050 16.942,1051 10.118,1052 26.657,1053 13.037,1054 2.547,1055 8.535,1056 23.568,1057 3.797,1058 14.427,1059 18.473,1060 11,1061 29.052,1062 14.151,1063 2.299,1064 7.813,1065 25.421,1066 3.241,1067 15.524,1068 19.952,1069 11.843,1070 31.424,1071 15.227,1072 2.172,1073 6.662,1074 27.282,1075 3.133,1076 16.654,1077 21.476,1078 12.712,1079 33.821,1080 16.336,1081 1.98,1082 5.791,1083 29.148,1084 2.989,1085 17.771,1086 22.978,1087 13.563,1088 36.21,1089 17.432,1090 14359,1091 27785,1092 21.501,1093 34.852,1094 51.939,1095 53.26,1096 53.537,1097 51.247,1098 51.098,1099 66.597,1100 14.012,1101 147.587,1102 49.617,1103 5.552,1104 5.777,1105 6.2,1106 5.245,1107 5.198,1108 7.609,1109 3.989,1110 18.028,1111 5.123,1112 21.801,1113 1.528,1114 1.566,1115 1.575,1116 1.507,1117 1.503,1118 1.959,1119 0.412,1120 4.341,1121 1.459,1122 4.094,1123 4.118,1124 4.073,1125 3.949,1126 7.477,1127 3.974,1128 3.941,1129 3.969,1130 3.893,1131 3.847,1132 7.471,1133 3.855,1134 3.761,1135 3.799,1136 3.674,1137 3.588,1138 7.428,1139 3.599,1140 3.518,1141 3.581,1142 3.442,1143 3.289,1144 6.352,1145 3.317,1146 3.438,1147 3.46,1148 3.373,1149 3.166,1150 6.35,1151 3.212,1152 3.316,1153 3.37,1154 3.248,1155 3.049,1156 5.362,1157 3.088,1158 3.132,1159 3.197,1160 3.034,1161 2.847,1162 4.984,1163 2.88,1164 3.079,1165 3.152,1166 2.953,1167 2.735,1168 4.947,1169 2.777,1170 0.136,1171 0.111,1172 0.2,1173 0.123,1174 0.094,1175 4.641,1176 0.136,1177 3.777,1178 0.07,1179 6.786,1180 0.327,1181 4.174,1182 0.092,1183 3.198,1184 4.609,1185 2.375,1186 11.135,1187 3.123,1188 1.927,1189 1.9,1190 2.029,1191 2.044,1192 1.223,1193 2.039,1194 1.814,1195 1.783,1196 1.904,1197 1.988,1198 1.166,1199 1.952,1200 1.702,1201 1.662,1202 1.863,1203 1.906,1204 1.026,1205 1.898,1206 1.51,1207 1.466,1208 1.686,1209 1.743,1210 0.729,1211 1.731,1212 1.313,1213 1.291,1214 1.503,1215 1.612,1216 0.58,1217 1.563,1218 1.222,1219 1.173,1220 1.465,1221 1.508,1222 0.518,1223 1.497,1224 0.992,1225 0.963,1226 1.252,1227 1.356,1228 0.218,1229 1.332,1230 0.958,1231 0.883,1232 1.181,1233 1.317,1234 0.208,1235 1.258,1236 4.234,1238 5.565,1239 2.398,1240 7.067,1241 4.727,1242 8.654,1243 6.843,1244 10.289,1246 1.828,1250 11.518,1251 17.904,1252 -0.174,1253 2.338,1256 -1.294,1257 1.884,1262 34.632,1263 95.198,1264 231.57,1265 274.009,1266 286.009,1267 288.009,1268 288.009,1269 91.628,1270 7.578,1271 197.9,1272 197.9,1273 17,1274 12.608,1275 4.322,1276 3.585,1277 61.58,1278 160,1279 142,1280 0.189,1281 215.906,1282 377.12,1283 518.571,1284 21271,1286 23.413,1287 0.732,1288 0.535,1289 23.413,1290 17.109,1291 15.151,1292 0.446,1293 0.28,1294 9.309,1295 14.304,1296 9.137,1297 7.558,1298 15.151,1299 9.511,1300 14.305,1301 0.298,1302 0.148,1303 14.305,1304 7.108,1305 10.966,1306 0.183,1307 0.08,1308 10.966,1309 4.783,1310 8.976,1311 0.118,1312 0.041,1313 8.976,1314 3.144,1315 6.701,1316 0.074,1317 0.021,1318 6.701,1319 1.913,1320 0.305,1321 97.161,1322 0.216,1323 30.406,1324 0.494,1325 164,1326 609.134,1327 189.243,1328 576.781,1329 755.35,1330 530,1331 190,1332 536.094,1333 212.562,1334 536.793,1335 777.97,1336 501,1337 6.367}
{0 CHEMBL279455,1 1.447,2 8.727,3 3.917,4 15.346,5 92.468,6 6.532,7 0.522,8 3.888,9 4.035,10 3.323,11 3.375,12 4.966,13 3.334,14 4.405,15 4.617,16 3.631,17 3.74,18 5.394,19 3.663,20 4.585,21 4.803,22 3.739,23 3.895,24 5.525,25 3.808,26 4.727,27 4.953,28 3.716,29 3.962,30 5.681,31 3.852,32 4.772,33 4.997,34 3.63,35 4.007,36 5.654,37 3.859,38 4.892,39 5.185,40 3.495,41 3.961,42 5.649,43 3.774,44 4.778,45 5.087,46 3.414,47 3.813,48 5.516,49 3.62,50 4.663,51 4.981,52 3.282,53 3.586,54 5.559,55 3.415,56 0.059,57 0.667,58 10.884,59 4.032,60 11.813,61 5.959,62 0.235,63 0.991,64 18.745,65 7.067,66 25.514,67 10.065,68 0.136,69 1.174,70 22.272,71 8.035,72 21.184,73 12.033,74 0.311,75 1.267,76 26.187,77 9.119,78 38.851,79 13.348,80 0.213,81 1.324,82 26.989,83 9.975,84 30.943,85 14.683,86 0.293,87 1.327,88 30.822,89 10.484,90 36.304,91 16.065,92 0.164,93 1.173,94 27.186,95 9.415,96 26.471,97 14.691,98 0.428,99 1.007,100 25.156,101 6.723,102 46.672,103 11.395,104 36,105 31,106 0.253,107 0.584,108 0.789,109 0.849,110 0.857,111 0.865,112 3.147,113 0.997,114 -4.5,115 -4.43,116 -4.17,119 37,120 2,121 4,124 1,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 11,169 1,170 4,172 3,173 3,175 1,178 12,180 1,182 6,187 1,189 13,191 1,193 5,195 1,196 1,197 1,198 2,200 2,201 12,204 2,205 1,207 6,212 3,215 10,218 3,221 5,226 3,229 6,231 3,234 4,239 4,241 2,243 4,245 2,246 4,248 1,249 1,251 4,256 4,260 2,265 3,270 3,273 636,274 14.834,275 14.834,276 14.834,277 14.834,278 14.834,279 13.281,280 20.388,281 8.78,282 15.179,283 11.18,284 11.18,285 11.18,286 11.18,287 11.18,288 8.725,289 24.654,290 3.894,291 11.646,292 4.077,293 2.179,294 1.006,295 0.658,296 0.614,297 0.571,298 3.805,300 1,301 1,302 1,303 388,304 2.915,307 152.68,314 1.231,315 16.632,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 47,327 192,328 4.431,329 3.338,330 6.527,331 4.055,332 3.075,333 4.114,334 0.86,335 10.288,336 3.013,337 4.228,338 3.071,339 6.088,340 3.814,341 2.856,342 3.875,343 0.68,344 8.842,345 2.741,346 3.6,347 2.536,348 5.281,349 3.235,350 2.279,351 2.934,353 6.715,354 2.179,355 3.369,356 2.38,357 5.206,358 3.089,359 2.089,360 2.663,362 6.217,363 2.089,364 3.362,365 2.18,366 4.921,367 2.939,368 1.999,369 2.615,371 5.65,372 1.87,373 2.823,374 1.831,375 4.147,376 2.354,377 1.423,378 1.952,380 3.673,381 1.321,382 2.33,383 1.534,384 3.825,385 2.234,386 1.278,387 1.324,389 2.661,390 1.215,391 1.969,392 1.037,393 3.121,394 1.805,395 0.863,396 0.928,398 1.5,399 0.805,400 1.611,401 0.628,402 2.959,403 1.385,404 0.415,405 0.474,407 0.84,408 0.401,409 1.461,410 0.597,411 2.668,412 1.224,413 0.294,414 0.335,415 0.452,416 0.271,417 1,418 0.146,419 2.391,420 0.739,421 -0.208,422 -0.235,423 -0.34,424 -0.194,425 0.868,426 -0.149,427 2.359,428 0.593,429 -0.381,430 -0.451,431 -0.796,432 -0.372,433 0.794,434 -0.314,435 2.304,436 0.392,437 -0.515,438 -0.621,439 -1.242,440 -0.466,441 0.508,442 -0.5,443 1.926,444 0.234,445 -0.74,446 -0.878,448 -1.719,449 -0.714,450 0.288,451 -0.835,452 1.65,453 0.031,454 -0.949,455 -1.125,457 -2.129,458 -0.93,459 10.433,460 0.474,461 0.503,462 0.023,463 27,464 1.227,465 13.5,466 0.614,467 13.5,468 0.614,469 19.185,470 0.872,471 24.967,472 0.543,473 18.246,474 0.829,475 5.064,476 0.23,477 5.519,478 0.251,479 0.22,481 0.335,485 1.045,486 1.32,487 0.97,488 1.163,489 1.239,490 1.066,491 0.861,492 0.869,493 0.828,494 0.937,495 0.562,496 0.902,497 0.87,498 1.189,499 0.915,500 1.129,501 0.765,502 1.039,503 1.335,504 0.97,505 1.129,506 1.066,507 1.03,508 1.085,509 1.087,510 1.267,511 1.253,512 1.359,513 0.93,514 1.344,515 0.918,516 0.96,517 0.994,518 1.009,519 0.837,520 1.018,521 0.429,522 1.127,523 0.771,524 1.077,525 0.496,526 0.985,527 0.894,528 0.882,529 0.912,530 0.824,531 1.059,532 0.855,533 5,534 0.058,535 2.444,536 1.813,537 1.538,538 0.674,539 0.588,540 0.326,541 0.214,542 0.142,543 4239,544 10173,545 1.944,546 52.2,547 14,548 5,550 1,551 4,555 1.649,556 1.784,557 3.114,558 1.825,560 1,564 66.558,565 1.447,566 3.344,567 4.518,568 4.866,569 4.909,570 4.953,571 2.504,572 4.096,573 4.43,574 3.241,575 748.718,576 7.635,577 8222.55,579 1,581 1,582 254.084,583 1.529,584 4.365,585 0.217,586 0.012,587 0.079,588 0.053,589 0.048,590 0.024,591 0.024,592 0.015,593 0.012,594 0.012,595 0.496,597 1,598 1.283,599 100.406,600 -0.086,601 -0.017,602 0.019,603 0.009,604 -0.171,605 0.03,606 0.182,607 0.243,608 0.158,609 0.155,610 0.258,611 0.145,612 -0.003,613 -0.079,614 0.053,615 -0.038,616 0.018,617 0.011,618 -0.114,619 0.09,620 -0.131,621 -0.019,622 -0.037,623 -0.073,624 -0.152,625 -0.213,626 -0.293,627 -0.273,628 -0.124,629 -0.301,630 -0.066,631 -0.051,632 -0.04,633 -0.02,634 -0.054,635 -0.029,636 0.148,637 -0.252,638 0.156,639 -0.087,640 0.158,641 0.016,642 0.198,643 0.014,644 0.086,645 0.043,646 0.084,647 0.052,648 1.461,649 2.099,650 0.545,651 16.992,652 0.991,653 1.138,654 3.273,655 10.713,656 0.632,657 3.178,658 3.466,659 3.714,660 3.951,661 4.127,662 4.111,663 4.127,664 4.174,665 4.174,666 4.06,667 5.294,668 0.588,669 300.45,670 3.178,671 4.691,672 5.525,673 6.395,674 7.251,675 8.125,676 8.988,677 9.863,678 10.729,679 11.605,680 8.7,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,718 46,719 12,720 1,721 23,723 47,724 17,725 10,726 4,727 2,729 2,730 2,734 2,739 4,741 10,742 7,754 1,757 24,758 5,759 4,760 5,764 4,769 1,770 1,776 1,781 2,802 2,806 3,810 22,811 2,816 4,818 1,829 2.2,834 1,836 12.333,837 8.983,838 5.167,839 2.946,840 2.25,841 1.348,842 0.95,843 5.613,844 8.705,845 3.401,846 3.989,847 4.538,848 5.075,849 5.577,850 5.7,851 5.897,852 6.231,853 6.544,854 6.782,855 0.833,856 34,857 8.085,859 3.224,860 7.644,861 15.62,863 12.206,865 2.144,866 47.167,869 1,870 235.422,871 88.884,872 99.365,874 11,877 88.884,878 246.422,879 99.365,880 28.533,881 10.138,882 84.747,883 45.342,884 38.033,885 4.227,886 223.651,888 235.422,889 188.25,890 11,893 235.422,894 11,897 38.735,898 115.944,899 33.571,901 235.422,902 110.365,903 88.884,906 235.422,907 32.351,908 56.533,910 110.365,911 235.422,912 110.365,913 88.884,915 0.562,916 0.343,917 0.195,918 0.106,919 13,920 7,921 0.128,922 6,924 1,925 3.277,926 164.358,928 12,929 98.107,933 16.563,934 7.455,935 3.902,937 110.365,938 6.068,939 8.058,943 6.211,945 65.794,946 434.672,947 29,956 45.571,957 52.355,958 0.262,959 0.605,960 0.818,961 0.881,962 0.889,963 0.897,964 4.615,965 0.863,966 5.509,967 2.661,968 4.143,969 4.673,970 1.225,971 6.312,972 4.071,973 5.822,974 0.415,975 7.067,976 1.5,977 3.761,978 4.559,980 7.209,981 3.664,982 7.133,983 0.294,984 8.723,985 0.84,986 5.727,987 6.878,988 0.925,989 10.28,990 5.6,991 8.481,992 -0.208,993 10.434,994 0.452,995 6.133,996 7.524,998 11.964,999 5.98,1000 9.858,1001 -0.381,1002 12.18,1003 -0.34,1004 7.583,1005 9.354,1006 0.697,1007 14.559,1008 7.408,1009 11.255,1010 -0.515,1011 13.949,1012 -0.796,1013 8.36,1014 10.356,1016 16.588,1017 8.156,1018 12.667,1019 -0.74,1020 15.736,1021 -1.242,1022 9.601,1023 11.975,1024 0.525,1025 19.011,1026 9.378,1027 3.075,1028 -0.949,1029 17.536,1030 -1.719,1031 10.553,1032 13.16,1034 21.196,1035 10.304,1036 2.856,1037 10.288,1038 19.347,1039 -2.129,1040 11.71,1041 14.675,1042 0.395,1043 23.553,1044 11.441,1045 2.279,1046 8.842,1047 21.167,1048 4.114,1049 12.745,1050 15.958,1052 25.809,1053 12.452,1054 2.089,1055 6.715,1056 22.994,1057 3.875,1058 13.868,1059 17.419,1060 0.298,1061 28.141,1062 13.555,1063 1.999,1064 6.217,1065 24.826,1066 2.934,1067 14.941,1068 18.754,1070 30.431,1071 14.606,1072 1.423,1073 5.65,1074 26.664,1075 2.663,1076 16.052,1077 20.187,1078 0.224,1079 32.755,1080 15.698,1081 1.278,1082 3.673,1083 28.507,1084 2.615,1085 17.144,1086 21.551,1088 35.062,1089 16.768,1090 4411,1091 6955,1092 14.622,1093 29.091,1094 33.15,1095 33.71,1096 35.631,1097 33.139,1098 33.141,1099 42.427,1100 3.08,1101 93.676,1102 31.813,1103 5.21,1104 5.338,1105 6.291,1106 5.124,1107 5.075,1108 7.114,1109 1.72,1110 17.221,1111 5.013,1112 13.115,1113 1.441,1114 1.466,1115 1.549,1116 1.441,1117 1.441,1118 1.845,1119 0.134,1120 4.073,1121 1.383,1122 4.019,1123 4.047,1124 3.966,1125 3.951,1126 5.291,1127 3.95,1128 3.832,1129 3.883,1130 3.792,1131 3.676,1132 4.979,1133 3.698,1134 3.56,1135 3.634,1136 3.373,1137 3.427,1138 4.825,1139 3.404,1140 3.394,1141 3.474,1142 3.232,1143 3.241,1144 4.464,1145 3.226,1146 3.285,1147 3.35,1148 3.096,1149 3.028,1150 4.348,1151 3.037,1152 3.121,1153 3.226,1154 2.958,1155 2.864,1156 4.108,1157 2.866,1158 2.988,1159 3.106,1160 2.8,1161 2.737,1162 3.99,1163 2.73,1164 2.886,1165 2.99,1166 2.684,1167 2.621,1168 3.746,1169 2.636,1170 0.193,1171 0.145,1172 0.284,1173 0.176,1174 0.134,1175 4.431,1176 0.179,1177 3.338,1178 0.037,1179 6.527,1180 0.447,1181 4.055,1182 0.131,1183 3.075,1184 4.114,1185 0.86,1186 10.288,1187 3.013,1188 1.984,1189 1.962,1190 2.094,1191 2.074,1192 1.34,1193 2.079,1194 1.764,1195 1.718,1196 1.9,1197 1.951,1198 1.129,1199 1.931,1200 1.59,1201 1.52,1202 1.856,1203 1.77,1204 1.026,1205 1.811,1206 1.408,1207 1.333,1208 1.689,1209 1.612,1210 0.772,1211 1.648,1212 1.227,1213 1.159,1214 1.573,1215 1.536,1216 0.573,1217 1.548,1218 1.085,1219 0.993,1220 1.4,1221 1.388,1222 0.501,1223 1.391,1224 0.947,1225 0.849,1226 1.286,1227 1.279,1228 0.338,1229 1.298,1230 0.86,1231 0.744,1232 1.213,1233 1.163,1234 0.153,1235 1.2,1236 3.85,1238 5.142,1240 6.642,1242 8.246,1244 9.9,1246 6.042,1250 11.486,1252 3.703,1254 5.599,1262 27.068,1263 66.558,1264 153.842,1265 207.819,1266 223.819,1267 225.819,1268 227.819,1269 36.542,1270 6.455,1271 87.05,1272 87.05,1273 12,1274 12.146,1275 3.7,1276 2.807,1277 42.025,1278 69,1279 70,1280 0.305,1281 172.662,1282 293.09,1283 413.056,1284 4346,1286 16.113,1287 0.732,1288 0.614,1289 16.113,1290 13.518,1291 10.583,1292 0.46,1293 0.332,1294 7.548,1295 10.227,1296 7.247,1297 6.153,1298 10.583,1299 7.641,1300 9.018,1301 0.291,1302 0.173,1303 9.018,1304 5.366,1305 7.384,1306 0.185,1307 0.093,1308 7.384,1309 3.718,1310 6.225,1311 0.122,1312 0.053,1313 6.225,1314 2.699,1315 4.797,1316 0.079,1317 0.03,1318 4.797,1319 1.827,1320 0.466,1321 66.055,1322 0.262,1323 21.439,1324 0.871,1325 108,1326 283.65,1327 116.929,1328 279.915,1329 386.53,1330 262,1331 125,1332 288.517,1333 133.651,1334 297.315,1335 429.66,1336 277,1337 4.509}
{0 CHEMBL279509,1 1.588,2 11.222,3 3.127,4 9.779,5 106.122,6 7.479,7 0.621,8 3.994,9 4.11,10 3.552,11 3.474,12 5.178,13 3.477,14 4.473,15 4.635,16 3.859,17 3.811,18 5.605,19 3.797,20 4.612,21 4.764,22 3.954,23 3.94,24 5.732,25 3.907,26 4.762,27 4.963,28 3.898,29 3.947,30 5.827,31 3.888,32 4.807,33 5.012,34 3.843,35 3.942,36 5.808,37 3.887,38 4.745,39 4.939,40 3.848,41 3.955,42 5.771,43 3.891,44 4.841,45 5.084,46 3.888,47 3.948,48 5.862,49 3.865,50 4.716,51 4.932,52 3.689,53 3.849,54 5.762,55 3.75,56 0.069,57 0.705,58 10.086,59 4.218,60 12.549,61 5.389,62 0.345,63 1.035,64 18.562,65 7.05,66 30.741,67 8.841,68 0.372,69 1.2,70 20.547,71 7.868,72 27.515,73 10.368,74 0.438,75 1.289,76 25.835,77 9.09,78 45.269,79 12.22,80 0.564,81 1.264,82 28.524,83 9.209,84 49.334,85 11.976,86 0.368,87 1.269,88 25.304,89 8.911,90 37.658,91 11.822,92 0.62,93 1.292,94 30.052,95 10.286,96 52.798,97 14.5,98 0.469,99 1.192,100 25.386,101 8.79,102 44.553,103 12.15,104 21,105 39,106 0.269,107 0.587,108 0.737,109 0.798,110 0.807,111 0.807,112 3.34,113 0.868,114 -3.7,115 -3.67,116 -3.49,119 40.8,121 1,124 2,125 1,139 7,140 3,141 3,142 1,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 5,172 3,173 3,175 1,178 10,180 1,181 2,182 8,187 1,189 5,191 1,192 1,193 9,195 1,196 1,197 1,198 2,200 2,204 2,205 1,207 10,212 3,215 2,218 3,221 5,226 1,229 5,231 1,233 4,234 4,236 2,237 2,239 2,241 7,243 2,245 2,246 2,248 1,249 1,254 7,262 2,263 2,268 5,273 1091,274 18.394,275 18.394,276 18.394,277 18.394,278 18.394,279 16.09,280 25.152,281 10.939,282 19.025,283 14.197,284 14.197,285 14.197,286 14.197,287 14.197,288 10.698,289 34.813,290 5.049,291 15.03,292 4.027,293 2.146,294 1.264,295 0.903,296 0.847,297 0.847,298 4.022,300 1,301 1,302 1,303 641,304 3,307 293.148,314 2.008,315 23.961,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 59,327 303,328 4.433,329 3.404,330 6.531,331 4.029,332 3.079,333 4.115,334 1.151,335 10.309,336 2.929,337 4.229,338 3.083,339 6.088,340 3.811,341 2.857,342 3.875,343 0.86,344 8.844,345 2.722,346 3.893,347 2.79,348 5.349,349 3.502,350 2.512,351 3.443,352 0.86,353 6.988,354 2.486,355 3.598,356 2.555,357 5.272,358 3.227,359 2.273,360 2.934,361 0.68,362 6.7,363 2.163,364 3.362,365 2.52,366 5.19,367 2.972,368 2.061,369 2.664,371 6.118,372 1.869,373 3.355,374 2.174,375 4.921,376 2.939,377 1.999,378 2.604,380 5.653,381 1.867,382 2.929,383 1.96,384 4.15,385 2.511,386 1.538,387 2.097,389 3.689,390 1.496,391 2.822,392 1.552,393 3.876,394 2.35,395 1.414,396 1.951,398 3.263,399 1.319,400 2.5,401 1.539,402 3.58,403 2,404 1.116,405 1.5,407 2.623,408 1,409 2.242,410 1.023,411 3.247,412 1.975,413 1,414 1.22,415 2.136,416 0.949,417 1.618,418 1,419 3.042,420 1.346,421 0.47,422 0.517,423 0.897,424 0.406,425 1.587,426 0.916,427 2.902,428 1.297,429 0.396,430 0.452,431 0.806,432 0.342,433 1.576,434 0.651,435 2.859,436 1.27,437 0.363,438 0.435,439 0.603,440 0.339,441 1.096,442 0.293,443 2.359,444 0.773,445 -0.156,446 -0.185,448 -0.334,449 -0.143,450 0.8,451 -0.263,452 2.34,453 0.397,454 -0.514,455 -0.621,457 -1.242,458 -0.465,459 12.6,460 0.467,461 0.571,462 0.021,463 38,464 1.407,465 20.5,466 0.759,467 17.5,468 0.648,469 19.392,470 0.718,471 29.4,472 0.6,473 28.862,474 1.069,475 7.947,476 0.294,477 5.154,478 0.191,479 0.143,481 0.317,485 0.994,486 1.249,487 0.814,488 1.105,489 1.164,490 0.943,491 1.252,492 0.802,493 0.86,494 0.848,495 0.857,496 0.809,497 0.915,498 1.268,499 0.993,500 1.233,501 0.861,502 1.141,503 1.056,504 1.058,505 1.04,506 1.164,507 0.975,508 1.109,509 1.705,510 0.892,511 1.156,512 0.888,513 1.288,514 0.932,515 1.316,516 1.103,517 1.146,518 1.135,519 1.131,520 1.118,521 0.766,522 0.849,523 0.76,524 0.903,525 0.53,526 0.86,527 1.033,528 1.161,529 1.122,530 1.192,531 0.952,532 1.193,533 5.5,534 0.091,535 2.667,536 1.75,537 1.529,538 0.931,539 0.67,540 0.451,541 0.287,542 0.194,543 8651,544 24228,545 2.035,546 44.9,547 2,548 15,550 1,551 4,555 1.702,556 1.906,557 3.414,558 1.698,559 1,560 1,564 77.82,565 1.588,566 3.469,567 4.351,568 4.711,569 4.768,570 4.768,571 2.936,572 4.31,573 4.722,574 3.6,575 1263.6,576 8.21,577 16337.4,579 1,581 1,582 275.121,583 1.399,584 4.685,585 0.19,586 0.006,587 0.068,588 0.043,589 0.041,590 0.026,591 0.019,592 0.012,593 0.01,594 0.011,595 0.426,596 0.17,597 1,598 0.862,599 134.207,600 -0.098,601 -0.053,602 0.034,603 -0.038,604 -0.207,605 0.022,606 -0.056,607 0.259,608 0.084,609 0.18,610 0.069,611 0.151,612 0.117,613 -0.181,614 -0.084,615 -0.197,616 0.004,617 -0.174,618 0.03,619 -0.055,620 -0.073,621 -0.17,622 0.015,623 -0.141,624 -0.302,625 0.042,626 -0.133,627 0.093,628 -0.222,629 0.02,630 -0.198,631 -0.103,632 -0.184,633 -0.13,634 -0.179,635 -0.149,636 0.263,637 0.046,638 0.249,639 0.094,640 0.347,641 0.149,642 0.017,643 -0.209,644 -0.143,645 -0.196,646 -0.006,647 -0.209,648 1.518,649 2.465,650 0.667,651 26.793,652 1.007,653 1.13,654 2.474,655 6.123,656 0.658,657 3.401,658 3.689,659 3.932,660 4.159,661 4.369,662 4.357,663 4.454,664 4.533,665 4.615,666 4.654,667 6.542,668 0.632,669 366.46,670 3.401,671 4.92,672 5.753,673 6.613,674 7.463,675 8.329,676 9.187,677 10.055,678 10.917,679 11.787,680 8.2,684 2,690 2,695 8,696 2,700 8,702 18,711 2,716 3,718 49,719 18,720 2,721 29,723 51,724 20,725 16,726 5,727 7,729 3,730 3,739 1,741 16,742 4,753 1,754 1,757 22,758 7,759 4,760 7,764 4,769 1,770 3,776 1,781 3,802 3,806 2,810 27,811 2,816 2,818 3,829 6.1,834 3,836 14.167,837 9.233,838 6.167,839 2.515,840 3.019,841 1.426,842 0.969,843 6.242,844 10.11,845 3.664,846 4.256,847 4.798,848 5.321,849 5.834,850 5.897,851 6.163,852 6.535,853 6.936,854 7.266,855 0.875,856 41,857 9.889,859 4.028,860 7.753,861 18.659,863 14.49,865 2.253,866 60.833,869 1,870 211.88,871 133.788,872 99.365,874 33,877 133.788,878 244.879,879 99.365,880 21.766,881 7.127,882 132.128,883 45.342,884 67.334,885 4.227,886 200.109,888 211.88,889 233.154,890 33,893 211.88,894 33,897 18.073,898 181.509,899 33.571,901 211.88,902 132.365,903 133.788,906 211.88,907 36.641,908 97.147,910 132.365,911 211.88,912 132.365,913 133.788,915 0.568,916 0.337,917 0.183,918 0.101,919 17,920 8,921 0.137,922 7,924 1,925 3.857,926 221.99,928 18,929 116.382,933 19.109,934 8.819,935 4.742,937 132.365,938 15.291,939 7.994,943 4.958,945 65.794,946 478.033,947 38,956 49.342,957 55.358,958 0.283,959 0.618,960 0.775,961 0.839,962 0.849,963 0.849,964 4.871,965 1.414,966 5.72,967 3.689,968 4.369,969 4.942,970 2.019,971 6.494,972 4.265,973 6.07,974 1.116,975 7.256,976 3.263,977 3.892,978 4.691,980 7.322,981 3.753,982 7.367,983 1,984 8.89,985 2.623,986 5.927,987 7.12,988 1.963,989 10.393,990 5.738,991 8.699,992 0.47,993 10.58,994 2.136,995 6.256,996 7.647,998 12.041,999 6.018,1000 10.06,1001 0.396,1002 12.308,1003 0.897,1004 7.748,1005 9.555,1006 2.01,1007 14.628,1008 7.477,1009 11.441,1010 0.363,1011 14.062,1012 0.806,1013 8.465,1014 10.463,1016 16.638,1017 8.136,1018 12.838,1019 -0.156,1020 15.835,1021 0.603,1022 9.729,1023 12.133,1024 2.133,1025 19.054,1026 9.368,1027 3.079,1028 -0.514,1029 17.623,1030 -0.334,1031 10.641,1032 13.25,1034 21.232,1035 10.219,1036 2.857,1037 10.309,1038 19.422,1039 -1.242,1040 11.806,1041 14.795,1042 2.31,1043 23.585,1044 11.348,1045 2.512,1046 8.844,1047 21.232,1048 4.115,1049 12.816,1050 16.031,1052 25.838,1053 12.297,1054 2.273,1055 6.988,1056 23.051,1057 3.875,1058 13.941,1059 17.507,1060 2.523,1061 28.169,1062 13.381,1063 2.061,1064 6.7,1065 24.876,1066 3.443,1067 14.999,1068 18.812,1070 30.459,1071 14.38,1072 1.999,1073 6.118,1074 26.708,1075 2.934,1076 16.109,1077 20.252,1078 2.759,1079 32.784,1080 15.445,1081 1.538,1082 5.653,1083 28.545,1084 2.664,1085 17.191,1086 21.596,1088 35.092,1089 16.471,1090 8464,1091 14295,1092 19.186,1093 32.239,1094 42.218,1095 43.195,1096 44.083,1097 42.069,1098 42.161,1099 55.615,1100 7.102,1101 117.256,1102 39.769,1103 5.273,1104 5.404,1105 6.333,1106 5.098,1107 5.079,1108 7.115,1109 2.302,1110 17.229,1111 4.929,1112 13.466,1113 1.456,1114 1.489,1115 1.52,1116 1.451,1117 1.454,1118 1.918,1119 0.245,1120 4.043,1121 1.371,1122 4.003,1123 4.026,1124 3.959,1125 3.908,1126 5.291,1127 3.916,1128 3.891,1129 3.926,1130 3.824,1131 3.827,1132 4.983,1133 3.821,1134 3.806,1135 3.842,1136 3.769,1137 3.644,1138 4.964,1139 3.672,1140 3.304,1141 3.362,1142 3.196,1143 3.095,1144 4.75,1145 3.113,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.204,1153 3.264,1154 3.039,1155 2.981,1156 4.455,1157 2.983,1158 3.094,1159 3.203,1160 2.922,1161 2.83,1162 4.354,1163 2.831,1164 2.959,1165 3.073,1166 2.782,1167 2.735,1168 4.175,1169 2.715,1170 0.153,1171 0.117,1172 0.225,1173 0.139,1174 0.106,1175 4.433,1176 0.142,1177 3.404,1178 0.04,1179 6.531,1180 0.355,1181 4.029,1182 0.101,1183 3.079,1184 4.115,1185 1.151,1186 10.309,1187 2.929,1188 1.937,1189 1.92,1190 2.041,1191 2.055,1192 1.211,1193 2.045,1194 1.893,1195 1.865,1196 2.005,1197 1.988,1198 1.13,1199 1.997,1200 1.724,1201 1.687,1202 1.803,1203 1.91,1204 0.865,1205 1.883,1206 1.241,1207 1.189,1208 1.59,1209 1.558,1210 0.606,1211 1.565,1212 1.227,1213 1.163,1214 1.552,1215 1.51,1216 0.584,1217 1.523,1218 1.166,1219 1.098,1220 1.459,1221 1.438,1222 0.561,1223 1.448,1224 1.048,1225 0.956,1226 1.329,1227 1.367,1228 0.357,1229 1.363,1230 0.886,1231 0.821,1232 1.217,1233 1.237,1234 0.218,1235 1.251,1236 4.078,1238 5.371,1240 6.866,1242 8.454,1244 10.09,1246 3.184,1250 11.489,1252 0.92,1254 16.998,1262 30.971,1263 77.82,1264 169.985,1265 213.205,1266 230.856,1267 233.611,1268 233.611,1269 42.611,1270 7.091,1271 105.51,1272 105.51,1273 18,1274 12.332,1275 4.248,1276 3.322,1277 46.901,1278 107,1279 103,1280 0.218,1281 193.256,1282 331.39,1283 463.306,1284 10746,1286 19.225,1287 0.712,1288 0.567,1289 19.225,1290 15.307,1291 13.101,1292 0.452,1293 0.289,1294 8.221,1295 12.467,1296 7.961,1297 6.682,1298 13.101,1299 8.389,1300 11.311,1301 0.29,1302 0.152,1303 11.311,1304 5.919,1305 9.41,1306 0.188,1307 0.081,1308 9.41,1309 4.058,1310 7.7,1311 0.122,1312 0.043,1313 7.7,1314 2.699,1315 6.217,1316 0.08,1317 0.024,1318 6.217,1319 1.846,1320 0.342,1321 83.184,1322 0.228,1323 26.034,1324 0.602,1325 136,1326 431.121,1327 151.35,1328 410.527,1329 560.18,1330 386,1331 157,1332 408.517,1333 172.849,1334 417.446,1335 602.41,1336 387,1337 4.328}
{0 CHEMBL279679,1 1.589,2 10.889,3 2.543,4 6.468,5 107.084,6 7.225,7 0.586,8 4.03,9 4.166,10 3.558,11 3.481,12 5.167,13 3.479,14 4.533,15 4.724,16 3.898,17 3.824,18 5.643,19 3.805,20 4.702,21 4.896,22 3.993,23 3.955,24 5.758,25 3.933,26 4.747,27 4.934,28 3.979,29 4.019,30 5.867,31 3.956,32 4.917,33 5.172,34 3.804,35 4.036,36 5.88,37 3.926,38 4.85,39 5.121,40 3.702,41 3.945,42 5.735,43 3.817,44 4.741,45 4.996,46 3.683,47 3.837,48 5.659,49 3.743,50 4.675,51 4.911,52 3.671,53 3.799,54 5.626,55 3.714,56 0.066,57 0.775,58 11.175,59 4.048,60 11.919,61 5.776,62 0.307,63 1.13,64 20.387,65 6.93,66 32.114,67 9.718,68 0.384,69 1.307,70 24.612,71 7.384,72 30.286,73 10.881,74 0.368,75 1.429,76 24.714,77 8.54,78 39.162,79 12.359,80 0.549,81 1.494,82 31.744,83 8.792,84 53.936,85 14.1,86 0.402,87 1.321,88 30.025,89 9.561,90 42.899,91 14.532,92 0.404,93 1.158,94 27.067,95 8.256,96 39.617,97 12.376,98 0.424,99 1.096,100 25.217,101 8.058,102 38.165,103 11.606,104 34,105 40,106 0.267,107 0.626,108 0.786,109 0.822,110 0.835,111 0.855,112 3.34,113 0.914,114 -3.62,115 -3.59,116 -3.42,119 37.3,120 3,125 3,139 3,140 3,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 4,169 2,170 9,172 3,173 3,175 3,178 4,180 1,182 6,185 1,187 3,189 1,191 1,192 1,193 5,195 3,196 5,197 1,198 6,200 2,201 4,204 3,205 1,206 1,207 1,212 2,215 5,218 1,221 3,224 2,225 1,226 3,228 1,229 4,231 2,233 1,234 6,241 4,245 1,246 5,250 1,251 1,253 1,254 4,256 1,259 2,260 3,262 1,263 1,265 1,268 4,270 1,273 1077,274 18.24,275 18.24,276 18.24,277 18.24,278 18.24,279 16.106,280 25.909,281 10.881,282 18.956,283 14.23,284 14.23,285 14.23,286 14.23,287 14.23,288 10.952,289 36.059,290 4.98,291 15.223,292 4.084,293 1.955,294 1,295 0.79,296 0.711,297 0.593,298 4.021,300 1,301 1,302 1,303 617,304 3.24,307 232.579,311 120.787,314 1.465,315 24.847,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 59,327 294,328 4.654,329 3.317,330 6.835,331 4.185,332 3.212,333 4.616,334 0.86,335 11.231,336 3.13,337 4.271,338 3.165,339 6.181,340 3.865,341 2.911,342 3.913,343 0.86,344 9.221,345 2.771,346 3.903,347 2.758,348 5.797,349 3.494,350 2.537,351 3.408,352 0.657,353 7.846,354 2.427,355 3.564,356 2.717,357 5.252,358 3.19,359 2.275,360 2.87,362 6.654,363 2.073,364 3.454,365 2.244,366 5.097,367 2.989,368 2.055,369 2.86,371 5.917,372 1.913,373 3.386,374 2.079,375 5.009,376 2.904,377 1.983,378 2.709,380 5.795,381 1.821,382 2.941,383 2.016,384 4.45,385 2.595,386 1.666,387 2.077,389 4.427,390 1.543,391 2.704,392 1.648,393 4.227,394 2.3,395 1.348,396 1.774,398 3.516,399 1.28,400 2.305,401 1.509,402 3.353,403 2.094,404 1.182,405 1.29,407 2.168,408 1.065,409 2.109,410 1.336,411 3.304,412 1.926,413 1,414 1.081,415 1.86,416 0.916,417 1.997,418 0.954,419 3.086,420 1.721,421 0.777,422 0.923,423 1.64,424 0.732,425 1.452,426 0.473,427 2.843,428 1.129,429 0.19,430 0.225,431 0.394,432 0.177,433 1.217,434 0.219,435 2.812,436 0.878,437 -0.048,438 -0.058,439 -0.101,440 -0.044,441 1.166,442 0.101,443 2.599,444 0.834,445 -0.122,446 -0.148,448 -0.31,449 -0.117,450 0.908,451 -0.224,452 2.317,453 0.491,454 -0.43,455 -0.517,457 -0.803,458 -0.394,459 12.567,460 0.465,461 0.644,462 0.024,463 36.5,464 1.352,465 18.5,466 0.685,467 18,468 0.667,469 21.879,470 0.81,471 30.033,472 0.589,473 27.151,474 1.006,475 7.171,476 0.266,477 5.857,478 0.217,479 0.183,481 0.358,485 1.039,486 1.408,487 0.855,488 1.158,489 1.223,490 0.99,491 1.053,492 0.969,493 0.771,494 0.938,495 0.647,496 0.839,497 1.429,498 1.154,499 0.927,500 0.903,501 1.059,502 0.852,503 0.845,504 1.307,505 1.098,506 1.347,507 0.742,508 1.289,509 1.046,510 1.014,511 1.206,512 1.027,513 1.228,514 1.107,515 0.781,516 0.886,517 0.964,518 1.028,519 0.805,520 1.026,521 1.13,522 0.894,523 0.957,524 0.946,525 0.929,526 0.931,527 1.283,528 0.938,529 0.974,530 0.963,531 0.943,532 0.95,533 5.5,534 0.173,535 3.111,536 2.188,537 1.862,538 0.875,539 0.507,540 0.411,541 0.337,542 0.247,543 8321,544 22351,545 2.014,546 47.1,547 3,548 9,550 1,551 5,553 6,555 1.703,556 1.862,557 3.397,558 2.547,559 1,560 1,564 81.034,565 1.589,566 3.717,567 4.672,568 4.883,569 4.961,570 5.079,571 2.82,572 4.431,573 4.727,574 3.543,575 1243.42,576 8.215,577 16068.7,579 1,581 1,582 289.294,583 1.487,584 4.672,585 0.19,586 0.008,587 0.078,588 0.05,589 0.045,590 0.027,591 0.017,592 0.014,593 0.011,594 0.009,595 0.448,596 0.17,597 1,598 1.183,599 133.835,600 -0.119,601 -0.129,602 0.032,603 -0.041,604 -0.242,605 0.021,606 0.077,607 0.134,608 0.187,609 0.107,610 0.25,611 0.15,612 -0.163,613 -0.076,614 0.053,615 0.117,616 -0.093,617 0.116,618 0.088,619 -0.157,620 -0.175,621 -0.299,622 0.155,623 -0.299,624 -0.134,625 0.013,626 -0.235,627 -0.074,628 -0.25,629 -0.148,630 0.025,631 0.055,632 0.004,633 -0.034,634 0.004,635 -0.019,636 -0.057,637 0.033,638 0.037,639 0.047,640 -0.022,641 0.061,642 -0.065,643 -0.015,644 0.025,645 0.057,646 0.007,647 0.048,648 1.549,649 2.204,650 0.593,651 23.802,652 1.004,653 1.14,654 2.386,655 5.694,656 0.643,657 3.401,658 3.714,659 3.989,660 4.263,661 4.466,662 4.533,663 4.575,664 4.644,665 4.7,666 4.745,667 6.399,668 0.614,669 368.49,670 3.401,671 4.934,672 5.784,673 6.666,674 7.534,675 8.423,676 9.299,677 10.19,678 11.07,679 11.963,680 11.8,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 2,718 51,719 17,720 1,721 29,723 53,724 19,725 13,726 3,727 3,729 3,730 4,734 3,741 13,742 6,754 1,757 24,758 8,759 5,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 3,810 27,811 2,816 3,817 1,818 2,829 3.9,834 2,836 14.5,837 9.933,838 6.139,839 3.136,840 3.458,841 1.472,842 0.974,843 6.062,844 10.79,845 3.651,846 4.29,847 4.913,848 5.527,849 6.095,850 6.376,851 6.668,852 7.008,853 7.364,854 7.505,855 1,856 44,857 9.909,859 4.054,860 7.722,861 18.804,863 14.7,865 2.222,866 60,869 1,870 223.651,871 103.372,872 134.162,874 22,877 103.372,878 245.651,879 134.162,880 26.476,881 11.29,882 94.223,883 80.138,884 54.95,885 4.227,886 211.88,888 223.651,889 237.534,890 22,893 154.74,894 92.626,897 48.713,898 118.739,899 68.367,901 223.651,902 156.161,903 103.372,906 223.651,907 39.421,908 63.952,909 18.011,910 138.151,911 223.651,912 156.161,913 103.372,915 0.57,916 0.34,917 0.196,918 0.106,919 18,920 9,921 0.132,922 7,923 1,924 1.125,925 3.788,926 225.951,927 0.125,928 16,929 126.382,933 19.298,934 8.481,935 4.273,936 1.214,937 156.161,938 7.488,939 12.561,943 4.789,945 83.805,946 483.185,947 37.5,956 51.218,957 58.145,958 0.28,959 0.655,960 0.824,961 0.861,962 0.875,963 0.895,964 4.877,965 1.348,966 5.771,967 4.427,968 4.394,969 4.977,970 1.573,971 6.594,972 4.279,973 6.099,974 1.182,975 7.339,976 3.516,977 4.007,978 4.913,980 7.526,981 3.873,982 7.422,983 1,984 9.008,985 2.168,986 5.994,987 7.267,988 1.27,989 10.64,990 5.795,991 8.785,992 0.777,993 10.736,994 1.86,995 6.415,996 8.015,998 12.4,999 6.21,1000 10.18,1001 0.19,1002 12.502,1003 1.64,1004 7.882,1005 9.87,1006 1.022,1007 15.046,1008 7.627,1009 11.599,1010 -0.048,1011 14.295,1012 0.394,1013 8.687,1014 11.008,1016 17.168,1017 8.423,1018 13.035,1019 -0.122,1020 16.109,1021 -0.101,1022 9.948,1023 12.661,1024 0.818,1025 19.655,1026 9.647,1027 3.212,1028 -0.43,1029 17.938,1030 -0.31,1031 10.935,1032 13.994,1034 21.937,1035 10.621,1036 2.911,1037 11.231,1038 19.781,1039 -0.803,1040 12.117,1041 15.563,1042 0.65,1043 24.369,1044 11.774,1045 2.537,1046 9.221,1047 21.635,1048 4.616,1049 13.19,1050 16.993,1052 26.722,1053 12.828,1054 2.275,1055 7.846,1056 23.498,1057 3.913,1058 14.345,1059 18.529,1060 0.511,1061 29.137,1062 13.957,1063 2.055,1064 6.654,1065 25.369,1066 3.408,1067 15.458,1068 20.006,1070 31.522,1071 15.049,1072 1.983,1073 5.917,1074 27.247,1075 2.87,1076 16.605,1077 21.53,1078 0.399,1079 33.933,1080 16.172,1081 1.666,1082 5.795,1083 29.13,1084 2.86,1085 17.738,1086 23.03,1088 36.333,1089 17.283,1090 8247,1091 13673,1092 18.898,1093 32.796,1094 42.446,1095 43.136,1096 44.769,1097 42.273,1098 42.274,1099 55.494,1100 4.755,1101 121.337,1102 39.692,1103 5.504,1104 5.317,1105 6.608,1106 5.26,1107 5.212,1108 7.616,1109 1.72,1110 18.468,1111 5.13,1112 15.182,1113 1.464,1114 1.487,1115 1.544,1116 1.458,1117 1.458,1118 1.914,1119 0.164,1120 4.184,1121 1.369,1122 4.074,1123 4.114,1124 4.049,1125 3.96,1126 5.321,1127 3.977,1128 3.922,1129 3.943,1130 3.877,1131 3.82,1132 4.982,1133 3.83,1134 3.554,1135 3.622,1136 3.482,1137 3.363,1138 4.914,1139 3.385,1140 3.502,1141 3.563,1142 3.336,1143 3.28,1144 4.802,1145 3.278,1146 3.42,1147 3.501,1148 3.212,1149 3.23,1150 4.565,1151 3.212,1152 3.209,1153 3.305,1154 3.059,1155 2.994,1156 4.269,1157 2.995,1158 3.132,1159 3.23,1160 3.03,1161 2.873,1162 4.162,1163 2.899,1164 3.023,1165 3.152,1166 2.81,1167 2.705,1168 4.036,1169 2.722,1170 0.16,1171 0.114,1172 0.236,1173 0.144,1174 0.111,1175 4.654,1176 0.159,1177 3.317,1178 0.03,1179 6.835,1180 0.387,1181 4.185,1182 0.108,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.13,1188 1.998,1189 1.967,1190 2.062,1191 2.133,1192 1.229,1193 2.112,1194 1.874,1195 1.855,1196 1.967,1197 2.003,1198 1.078,1199 1.991,1200 1.489,1201 1.427,1202 1.801,1203 1.737,1204 0.939,1205 1.756,1206 1.475,1207 1.407,1208 1.766,1209 1.717,1210 0.909,1211 1.722,1212 1.426,1213 1.347,1214 1.627,1215 1.645,1216 0.732,1217 1.669,1218 1.193,1219 1.101,1220 1.531,1221 1.455,1222 0.559,1223 1.483,1224 1.045,1225 0.959,1226 1.283,1227 1.364,1228 0.226,1229 1.345,1230 0.946,1231 0.826,1232 1.258,1233 1.329,1234 0.161,1235 1.331,1236 4.078,1238 5.389,1240 6.909,1242 8.535,1244 10.218,1246 5.871,1250 11.674,1252 1.715,1253 3.398,1254 11.291,1262 31.299,1263 81.034,1264 189.571,1265 238.274,1266 249.029,1267 253.029,1268 259.029,1269 42.328,1270 7.332,1271 121.2,1272 121.2,1273 18,1274 12.492,1275 4.17,1276 3.248,1277 46.938,1278 105,1279 103,1280 0.222,1281 196.184,1282 329.94,1283 470.449,1284 14877,1286 19.389,1287 0.718,1288 0.583,1289 19.389,1290 15.744,1291 13.028,1292 0.449,1293 0.305,1294 8.685,1295 12.397,1296 8.412,1297 7.029,1298 13.028,1299 8.837,1300 11.442,1301 0.286,1302 0.149,1303 11.442,1304 5.952,1305 9.453,1306 0.178,1307 0.079,1308 9.453,1309 4.166,1310 8.324,1311 0.119,1312 0.041,1313 8.324,1314 2.887,1315 6.298,1316 0.073,1317 0.021,1318 6.298,1319 1.814,1320 0.347,1321 82.289,1322 0.23,1323 25.831,1324 0.61,1325 138,1326 415.364,1327 154.966,1328 398.991,1329 555.95,1330 376,1331 162,1332 422.388,1333 178.026,1334 423.931,1335 622.44,1336 400,1337 6.432}
{0 CHEMBL279680,1 1.613,2 10.769,3 2.199,4 4.836,5 101.823,6 7.385,7 0.607,8 3.978,9 4.111,10 3.528,11 3.418,12 5.152,13 3.425,14 4.474,15 4.671,16 3.875,17 3.773,18 5.584,19 3.77,20 4.584,21 4.737,22 4.011,23 3.966,24 5.701,25 3.947,26 4.814,27 5.016,28 3.989,29 4.059,30 5.911,31 3.984,32 4.951,33 5.214,34 3.779,35 4.03,36 5.892,37 3.914,38 4.809,39 5.076,40 3.616,41 3.898,42 5.706,43 3.764,44 4.692,45 4.965,46 3.542,47 3.771,48 5.577,49 3.652,50 4.591,51 4.867,52 3.487,53 3.651,54 5.548,55 3.541,56 0.069,57 0.737,58 10.221,59 3.694,60 12.08,61 5.229,62 0.392,63 1.081,64 19.275,65 6.112,66 31.292,67 8.549,68 0.274,69 1.3,70 19.656,71 6.889,72 17.745,73 9.869,74 0.39,75 1.482,76 26.297,77 9.38,78 39.874,79 13.481,80 0.595,81 1.484,82 33.345,83 9.298,84 56.631,85 14.58,86 0.473,87 1.269,88 28.891,89 9.002,90 43.069,91 13.582,92 0.37,93 1.111,94 26.01,95 7.884,96 36.248,97 12.127,98 0.364,99 1.001,100 23.452,101 6.903,102 39.688,103 10.789,104 41,105 40,106 0.275,107 0.636,108 0.789,109 0.827,110 0.834,111 0.841,112 3.304,113 0.862,114 -3.38,115 -3.37,116 -3.22,119 37.5,120 1,124 3,125 1,139 3,140 3,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 4,169 2,170 9,172 3,173 3,175 1,178 4,180 1,181 1,182 8,187 1,189 1,191 1,192 3,193 8,195 3,196 3,197 1,198 3,200 2,201 2,204 3,205 1,206 1,212 1,215 3,218 1,220 2,221 3,223 1,224 1,226 2,229 5,231 2,234 3,241 2,245 1,246 7,248 1,249 1,251 2,256 2,259 1,260 4,265 1,270 1,273 932,274 17.326,275 17.326,276 17.326,277 17.326,278 17.326,279 15.217,280 24.641,281 9.859,282 18.005,283 13.632,284 13.632,285 13.632,286 13.632,287 13.632,288 10.342,289 34.839,290 4.453,291 14.544,292 3.972,293 1.85,294 0.954,295 0.73,296 0.688,297 0.646,298 3.98,300 1,301 1,302 1,303 590,304 3.24,307 226.192,311 119.457,314 1.556,315 22.013,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 57,327 280,328 4.656,329 3.344,330 6.837,331 4.19,332 3.218,333 4.616,334 0.916,335 11.242,336 3.134,337 4.3,338 3.227,339 6.246,340 3.909,341 2.961,342 3.933,343 0.86,344 9.374,345 2.802,346 3.939,347 2.966,348 5.956,349 3.582,350 2.643,351 3.421,352 0.86,353 8.369,354 2.485,355 3.719,356 2.622,357 5.727,358 3.362,359 2.422,360 3.02,361 0.172,362 7.581,363 2.266,364 3.452,365 2.197,366 5.097,367 2.973,368 2.038,369 2.86,371 5.913,372 1.9,373 3.372,374 2.166,375 5.009,376 2.896,377 1.97,378 2.695,380 5.794,381 1.817,382 2.919,383 2.045,384 4.415,385 2.522,386 1.612,387 2.057,389 4.191,390 1.461,391 2.721,392 1.686,393 4.303,394 2.37,395 1.418,396 1.79,398 3.772,399 1.346,400 2.539,401 1.426,402 4.003,403 2.179,404 1.237,405 1.546,407 3.166,408 1.161,409 1.868,410 1.011,411 3.11,412 1.556,413 0.66,414 0.775,415 1.216,416 0.586,417 1.586,418 0.933,419 2.974,420 1.255,421 0.358,422 0.405,423 0.725,424 0.313,425 1.439,426 0.586,427 2.822,428 1.162,429 0.271,430 0.317,431 0.422,432 0.244,433 1.196,434 0.113,435 2.675,436 0.838,437 -0.111,438 -0.137,439 -0.288,440 -0.105,441 0.97,442 -0.01,443 2.536,444 0.529,445 -0.391,446 -0.503,448 -0.86,449 -0.358,450 0.773,451 -0.256,452 2.398,453 0.411,454 -0.501,455 -0.595,457 -1.095,458 -0.45,459 12.067,460 0.464,461 0.733,462 0.028,463 36.25,464 1.394,465 18.5,466 0.712,467 17.75,468 0.683,469 20,470 0.769,471 28.733,472 0.599,473 27.716,474 1.066,475 7.451,476 0.287,477 4.988,478 0.192,479 0.232,481 0.406,485 1.027,486 1.497,487 0.823,488 1.197,489 1.192,490 0.996,491 1.2,492 0.748,493 0.736,494 0.645,495 0.7,496 0.623,497 0.972,498 1.411,499 0.959,500 1.198,501 0.841,502 1.089,503 0.726,504 1.248,505 1.058,506 1.356,507 0.662,508 1.291,509 1.132,510 0.957,511 1.181,512 0.986,513 1.214,514 1.07,515 0.906,516 0.876,517 1.086,518 1.039,519 0.939,520 1.089,521 0.942,522 0.95,523 0.941,524 0.951,525 0.846,526 0.95,527 0.8,528 0.912,529 0.899,530 0.963,531 0.928,532 0.945,533 6,534 0.169,535 3.556,536 2.438,537 2.222,538 0.965,539 0.547,540 0.405,541 0.291,542 0.213,543 7448,544 21270,545 1.992,546 45.8,547 3,548 14,550 1,551 4,555 1.69,556 1.814,557 3.383,558 1.773,559 1,560 1,564 77.402,565 1.613,566 3.735,567 4.631,568 4.855,569 4.897,570 4.939,571 2.855,572 4.316,573 4.674,574 3.514,575 1141.97,576 8.094,577 14083.9,579 1,581 1,582 268.078,583 1.549,584 4.601,585 0.214,586 0.01,587 0.089,588 0.054,589 0.054,590 0.03,591 0.02,592 0.016,593 0.012,594 0.01,595 0.509,596 0.17,597 1,598 0.954,599 126.835,600 -0.113,601 -0.232,602 0.043,603 -0.099,604 -0.227,605 -0.007,606 -0.018,607 0.351,608 0.229,609 0.364,610 0.19,611 0.337,612 -0.029,613 -0.203,614 -0.074,615 -0.117,616 -0.043,617 -0.101,618 0.112,619 -0.154,620 -0.145,621 -0.307,622 0.161,623 -0.291,624 -0.181,625 0.008,626 -0.196,627 -0.033,628 -0.245,629 -0.102,630 -0.052,631 0.061,632 -0.112,633 -0.051,634 -0.104,635 -0.088,636 -0.072,637 -0.05,638 0.046,639 0.042,640 -0.016,641 0.062,642 0.056,643 0.004,644 0.091,645 0.007,646 0.039,647 0.053,648 1.544,649 2.023,650 0.615,651 21.669,652 1.007,653 1.14,654 2.154,655 4.639,656 0.647,657 3.367,658 3.714,659 4.007,660 4.263,661 4.466,662 4.522,663 4.554,664 4.595,665 4.7,666 4.682,667 6.196,668 0.62,669 354.46,670 3.367,671 4.92,672 5.784,673 6.676,674 7.554,675 8.449,676 9.332,677 10.228,678 11.114,679 12.01,680 12.5,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,716 2,718 48,719 17,720 1,721 28,723 50,724 18,725 13,726 3,727 3,729 3,730 4,734 1,741 13,742 5,753 1,754 1,757 22,758 8,759 4,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 4,810 26,811 2,816 1,818 2,821 1,829 4.2,834 2,836 14.333,837 9.883,838 5.833,839 2.465,840 3.335,841 1.462,842 0.972,843 5.228,844 10.561,845 3.624,846 4.29,847 4.927,848 5.533,849 6.101,850 6.386,851 6.682,852 7.006,853 7.391,854 7.502,855 1,856 45,857 9.509,859 3.893,860 7.75,861 17.953,863 14.047,865 2.25,866 58.5,870 211.88,871 106.7,872 119.275,874 22,877 106.7,878 233.88,879 119.275,880 38.988,881 2.106,882 94.223,883 62.128,884 58.075,885 4.227,886 200.109,888 211.88,889 225.975,890 22,893 213.595,894 22,897 21.877,898 152.026,899 50.357,901 211.88,902 141.275,903 106.7,906 211.88,907 30.236,908 79.588,910 138.151,911 211.88,912 141.275,913 106.7,915 0.586,916 0.363,917 0.198,918 0.103,919 19,920 10,921 0.1,922 5,923 1,924 1.125,925 3.639,926 218.446,927 0.125,928 16,929 122.211,933 18.327,934 7.416,935 3.585,936 1.238,937 141.275,938 7.579,939 12.581,943 4.831,945 65.794,946 459.854,947 36.5,956 48.334,957 54.73,958 0.289,959 0.669,960 0.829,961 0.869,962 0.877,963 0.884,964 4.869,965 1.418,966 5.796,967 4.191,968 4.394,969 4.977,970 1.698,971 6.645,972 4.279,973 6.11,974 1.237,975 7.388,976 3.772,977 4.111,978 4.956,979 0.325,980 7.627,981 3.96,982 7.445,983 0.66,984 9.077,985 3.166,986 6.033,987 7.281,988 1.422,989 10.726,990 5.832,991 8.818,992 0.358,993 10.82,994 1.216,995 6.524,996 8.046,997 0.393,998 12.497,999 6.293,1000 10.219,1001 0.271,1002 12.597,1003 0.725,1004 7.952,1005 9.887,1006 1.2,1007 15.137,1008 7.683,1009 11.641,1010 -0.111,1011 14.398,1012 0.422,1013 8.794,1014 11.03,1015 0.384,1016 17.252,1017 8.499,1018 13.08,1019 -0.391,1020 16.217,1021 -0.288,1022 10.036,1023 12.677,1024 1.01,1025 19.733,1026 9.71,1027 3.218,1028 -0.501,1029 18.049,1030 -0.86,1031 11.04,1032 14.011,1033 0.351,1034 22.004,1035 10.69,1036 2.961,1037 11.242,1038 19.892,1039 -1.095,1040 12.213,1041 15.577,1042 0.845,1043 24.431,1044 11.836,1045 2.643,1046 9.374,1047 21.745,1048 4.616,1049 13.292,1050 17.006,1051 0.312,1052 26.775,1053 12.89,1054 2.422,1055 8.369,1056 23.606,1057 3.933,1058 14.441,1059 18.54,1060 0.702,1061 29.186,1062 14.015,1063 2.038,1064 7.581,1065 25.474,1066 3.421,1067 15.555,1068 20.016,1069 0.273,1070 31.565,1071 15.106,1072 1.97,1073 5.913,1074 27.347,1075 3.02,1076 16.7,1077 21.539,1078 0.579,1079 33.973,1080 16.227,1081 1.612,1082 5.794,1083 29.226,1084 2.86,1085 17.831,1086 23.039,1087 0.236,1088 36.37,1089 17.336,1090 7376,1091 12587,1092 17.918,1093 31.034,1094 41.731,1095 42.591,1096 44.498,1097 41.541,1098 41.62,1099 54.873,1100 5.618,1101 123.531,1102 39.032,1103 5.491,1104 5.344,1105 6.39,1106 5.265,1107 5.218,1108 7.616,1109 1.776,1110 18.518,1111 5.134,1112 15.907,1113 1.49,1114 1.521,1115 1.589,1116 1.484,1117 1.486,1118 1.96,1119 0.201,1120 4.412,1121 1.394,1122 4.076,1123 4.116,1124 4.051,1125 3.963,1126 5.321,1127 3.979,1128 3.923,1129 3.946,1130 3.88,1131 3.822,1132 4.982,1133 3.832,1134 3.574,1135 3.637,1136 3.501,1137 3.379,1138 4.935,1139 3.403,1140 3.366,1141 3.444,1142 3.248,1143 3.12,1144 4.804,1145 3.139,1146 3.247,1147 3.314,1148 3.051,1149 2.956,1150 4.496,1151 2.963,1152 3.179,1153 3.269,1154 3.05,1155 2.941,1156 4.387,1157 2.949,1158 3.151,1159 3.247,1160 2.952,1161 2.893,1162 4.179,1163 2.894,1164 3.023,1165 3.153,1166 2.813,1167 2.706,1168 4.03,1169 2.723,1170 0.166,1171 0.119,1172 0.244,1173 0.15,1174 0.115,1175 4.656,1176 0.165,1177 3.344,1178 0.033,1179 6.837,1180 0.401,1181 4.19,1182 0.112,1183 3.218,1184 4.616,1185 0.916,1186 11.242,1187 3.134,1188 2,1189 1.969,1190 2.066,1191 2.135,1192 1.243,1193 2.114,1194 1.877,1195 1.857,1196 1.966,1197 2.005,1198 1.08,1199 1.993,1200 1.504,1201 1.443,1202 1.691,1203 1.74,1204 0.803,1205 1.728,1206 1.306,1207 1.228,1208 1.585,1209 1.585,1210 0.575,1211 1.591,1212 1.192,1213 1.115,1214 1.576,1215 1.523,1216 0.572,1217 1.539,1218 1.16,1219 1.074,1220 1.54,1221 1.44,1222 0.56,1223 1.477,1224 1.112,1225 1.018,1226 1.447,1227 1.397,1228 0.532,1229 1.408,1230 0.946,1231 0.827,1232 1.263,1233 1.337,1234 0.171,1235 1.341,1236 4.043,1238 5.38,1240 6.925,1242 8.567,1244 10.26,1246 7.212,1250 11.671,1252 0.633,1254 10.664,1257 2.089,1262 29.772,1263 77.402,1264 179.265,1265 222.304,1266 233.059,1267 235.059,1268 237.059,1269 38.965,1270 7.226,1271 112.41,1272 112.41,1273 18,1274 12.537,1275 4.17,1276 3.248,1277 44.423,1278 98,1279 94,1280 0.227,1281 186.591,1282 312.64,1283 447.043,1284 12608,1286 18.845,1287 0.725,1288 0.588,1289 18.845,1290 15.277,1291 12.439,1292 0.444,1293 0.287,1294 7.864,1295 11.762,1296 7.521,1297 6.346,1298 12.439,1299 8.046,1300 11.211,1301 0.28,1302 0.149,1303 11.211,1304 5.969,1305 9.648,1306 0.179,1307 0.081,1308 9.648,1309 4.35,1310 8.21,1311 0.117,1312 0.041,1313 8.21,1314 2.901,1315 6.205,1316 0.072,1317 0.022,1318 6.205,1319 1.862,1320 0.355,1321 79.373,1322 0.236,1323 24.943,1324 0.627,1325 136,1326 418.676,1327 151.998,1328 402.754,1329 556.19,1330 378,1331 162,1332 416.344,1333 178.415,1334 426.785,1335 620.09,1336 395,1337 7.357}
{0 CHEMBL279705,1 1.563,2 9.5,3 2.348,4 5.515,5 96.166,6 7.373,7 0.654,8 3.889,9 4.03,10 3.437,11 3.369,12 5.058,13 3.366,14 4.371,15 4.564,16 3.791,17 3.734,18 5.494,19 3.711,20 4.516,21 4.688,22 3.895,23 3.888,24 5.615,25 3.853,26 4.698,27 4.914,28 3.838,29 3.914,30 5.793,31 3.833,32 4.775,33 5.051,34 3.58,35 3.841,36 5.725,37 3.728,38 4.611,39 4.887,40 3.464,41 3.723,42 5.51,43 3.59,44 4.477,45 4.74,46 3.439,47 3.638,48 5.406,49 3.527,50 4.41,51 4.664,52 3.401,53 3.566,54 5.368,55 3.462,56 0.057,57 0.696,58 9.307,59 3.369,60 11.257,61 4.797,62 0.265,63 1.031,64 16.751,65 5.924,66 25.819,67 8.296,68 0.165,69 1.221,70 18.464,71 6.432,72 16.1,73 9.411,74 0.31,75 1.332,76 23.705,77 8.013,78 38.309,79 11.749,80 0.443,81 1.284,82 27.971,83 7.106,84 49.634,85 11.541,86 0.334,87 1.057,88 23.765,89 7.815,90 36.994,91 11.64,92 0.253,93 0.952,94 20.345,95 6.676,96 29.083,97 10.073,98 0.202,99 0.895,100 18.88,101 6.339,102 25.752,103 9.408,104 27,105 37,106 0.271,107 0.647,108 0.801,109 0.843,110 0.867,111 0.867,112 3.229,113 0.871,114 -3.89,115 -3.85,116 -3.65,119 38.6,120 2,124 1,125 1,139 3,140 4,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 7,169 2,170 5,172 3,173 3,175 3,178 7,180 1,182 5,185 1,187 4,189 2,191 1,192 1,193 6,195 3,196 4,197 1,198 7,200 2,201 1,204 3,205 1,207 2,212 1,215 3,218 1,221 2,224 2,225 1,226 2,228 1,229 6,231 2,233 1,234 4,241 6,246 4,250 1,251 1,253 1,254 4,256 1,259 2,260 4,262 1,263 1,265 2,270 2,273 764,274 15.955,275 15.955,276 15.955,277 15.955,278 15.955,279 13.769,280 21.864,281 9.164,282 16.416,283 12.727,284 12.727,285 12.727,286 12.727,287 12.727,288 9.408,289 30.765,290 4.235,291 13.386,292 3.896,293 1.726,294 0.841,295 0.597,296 0.461,297 0.461,298 3.906,300 1,301 1,302 1,303 482,304 2.739,307 198.317,311 102.96,314 1.542,315 19.976,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52,327 228,328 4.654,329 3.316,330 6.835,331 4.185,332 3.212,333 4.616,334 0.86,335 11.231,336 3.13,337 4.257,338 3.125,339 6.165,340 3.855,341 2.893,342 3.901,343 0.657,344 9.13,345 2.782,346 3.902,347 2.73,348 5.797,349 3.493,350 2.535,351 3.408,353 7.844,354 2.427,355 3.473,356 2.42,357 5.097,358 3.108,359 2.131,360 2.861,362 5.918,363 2.077,364 3.452,365 2.231,366 5.009,367 2.987,368 2.052,369 2.789,371 5.8,372 1.912,373 3.384,374 2.061,375 4.954,376 2.903,377 1.982,378 2.706,380 5.781,381 1.821,382 2.927,383 1.939,384 4.413,385 2.562,386 1.623,387 2.065,389 4.294,390 1.519,391 2.703,392 1.594,393 4.221,394 2.297,395 1.343,396 1.774,398 3.509,399 1.278,400 2.06,401 1.098,402 3.349,403 1.749,404 0.804,405 0.98,407 1.874,408 0.756,409 1.774,410 0.953,411 2.974,412 1.497,413 0.608,414 0.683,415 1.076,416 0.535,417 1.356,418 0.348,419 2.824,420 0.98,421 0.054,422 0.068,423 0.124,424 0.05,425 1.188,426 0.135,427 2.735,428 0.836,429 -0.116,430 -0.142,431 -0.298,432 -0.11,433 0.972,434 0.091,435 2.558,436 0.653,437 -0.288,438 -0.342,439 -0.537,440 -0.269,441 0.893,442 -0.286,443 2.347,444 0.474,445 -0.448,446 -0.57,448 -1.156,449 -0.412,450 0.654,451 -0.408,452 2.12,453 0.285,454 -0.666,455 -0.801,457 -1.741,458 -0.63,459 11.233,460 0.468,461 0.682,462 0.028,463 34,464 1.417,465 18,466 0.75,467 16,468 0.667,469 17.693,470 0.737,471 25.967,472 0.59,473 24.31,474 1.013,475 6.842,476 0.285,477 4.649,478 0.194,479 0.205,481 0.401,485 1.081,486 1.334,487 0.843,488 1.053,489 1.258,490 0.923,491 0.93,492 0.845,493 0.707,494 0.789,495 0.582,496 0.739,497 0.976,498 1.407,499 0.967,500 1.215,501 0.876,502 1.108,503 0.866,504 1.26,505 1.08,506 1.318,507 0.699,508 1.258,509 1.388,510 0.875,511 1.265,512 0.903,513 1.371,514 1.022,515 0.854,516 0.784,517 0.945,518 0.947,519 0.835,520 0.968,521 0.822,522 0.9,523 0.897,524 0.96,525 0.861,526 0.945,527 0.912,528 1.042,529 0.887,530 1.051,531 0.786,532 0.993,533 5.5,534 0.107,535 3.111,536 2.188,537 1.822,538 0.757,539 0.386,540 0.38,541 0.263,542 0.207,543 6050,544 16304,545 2.015,546 45.5,547 6,548 8,550 1,551 5,555 1.669,556 1.846,557 3.215,558 2.661,559 1,560 1,562 1,564 68.78,565 1.563,566 3.734,567 4.618,568 4.863,569 4.999,570 4.999,571 2.705,572 4.335,573 4.56,574 3.39,575 935.632,576 7.867,577 10934.9,579 1,581 1,582 240.215,583 1.528,584 4.493,585 0.212,586 0.008,587 0.084,588 0.055,589 0.052,590 0.029,591 0.016,592 0.016,593 0.011,594 0.011,595 0.494,596 0.17,597 1,598 0.854,599 113.638,600 -0.15,601 -0.088,602 0.022,603 0.012,604 -0.271,605 0.047,606 0.138,607 0.259,608 0.227,609 0.244,610 0.258,611 0.24,612 -0.043,613 -0.251,614 -0.073,615 -0.171,616 -0.08,617 -0.133,618 0.1,619 -0.209,620 -0.141,621 -0.317,622 0.188,623 -0.287,624 -0.326,625 0.104,626 -0.26,628 -0.329,629 -0.092,630 0.047,631 0.109,632 0.045,633 0.055,634 0.042,635 0.047,636 0.047,637 0.022,638 0.078,639 0.054,640 -0.008,641 0.072,642 0.024,643 -0.128,644 0.089,645 -0.027,646 0.073,647 0.026,648 1.54,649 1.988,650 0.667,651 18.653,652 1.003,653 1.139,654 2.665,655 7.1,656 0.655,657 3.296,658 3.638,659 3.912,660 4.174,661 4.369,662 4.407,663 4.394,664 4.489,665 4.575,666 4.625,667 5.796,668 0.626,669 324.43,670 3.296,671 4.844,672 5.7,673 6.589,674 7.46,675 8.352,676 9.228,677 10.121,678 11,679 11.894,680 13.6,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 1,718 44,719 17,720 1,721 26,723 46,724 17,725 13,726 3,727 3,729 3,730 4,734 2,741 13,742 4,753 1,754 1,757 20,758 7,759 5,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 3,810 24,811 2,816 1,817 1,818 1,829 2.3,834 1,836 13,837 8.767,838 5.306,839 2.344,840 3.418,841 1.482,842 0.995,843 4.513,844 10.51,845 3.57,846 4.248,847 4.875,848 5.485,849 6.05,850 6.312,851 6.579,852 6.945,853 7.33,854 7.461,855 1,856 40,857 8.783,859 3.63,860 7.729,861 16.637,863 13.184,865 2.229,866 53.5,869 1,870 176.567,871 94.188,872 134.162,874 11,877 94.188,878 187.566,879 134.162,880 28.533,881 2.106,882 94.223,883 80.138,884 41.892,885 4.227,886 164.795,888 176.567,889 228.349,890 11,893 178.282,894 11,897 30.703,898 127.564,899 68.367,901 176.567,902 145.162,903 94.188,906 176.567,907 28.178,908 66.01,909 18.011,910 127.151,911 176.567,912 145.162,913 94.188,915 0.587,916 0.352,917 0.193,918 0.101,919 18,920 9,921 0.087,922 4,923 1,924 1.125,925 3.514,926 194.749,927 0.125,928 16,929 110.039,933 16.43,934 6.593,935 3.28,936 1.245,937 145.162,938 7.771,939 12.51,943 5.337,945 83.805,946 415.916,947 34.5,956 44.123,957 50.106,958 0.286,959 0.684,960 0.846,961 0.891,962 0.916,963 0.916,964 4.806,965 1.343,966 5.707,967 4.294,968 4.317,969 4.934,970 1.207,971 6.541,972 4.226,973 6.051,974 0.804,975 7.287,976 3.509,977 4.007,978 4.913,980 7.496,981 3.898,982 7.385,983 0.608,984 8.964,985 1.874,986 5.938,987 7.249,988 0.903,989 10.599,990 5.778,991 8.756,992 0.054,993 10.697,994 1.076,995 6.399,996 8.008,998 12.369,999 6.226,1000 10.156,1001 -0.116,1002 12.467,1003 0.124,1004 7.838,1005 9.859,1006 0.678,1007 15.016,1008 7.625,1009 11.577,1010 -0.288,1011 14.263,1012 -0.298,1013 8.663,1014 11,1016 17.144,1017 8.435,1018 13.015,1019 -0.448,1020 16.079,1021 -0.537,1022 9.913,1023 12.653,1024 0.512,1025 19.634,1026 9.653,1027 3.212,1028 -0.666,1029 17.911,1030 -1.156,1031 10.91,1032 13.987,1034 21.92,1035 10.631,1036 2.893,1037 11.231,1038 19.756,1039 -1.741,1040 12.089,1041 15.557,1042 0.387,1043 24.354,1044 11.782,1045 2.535,1046 9.13,1047 21.612,1048 4.616,1049 13.167,1050 16.987,1052 26.709,1053 12.838,1054 2.131,1055 7.844,1056 23.478,1057 3.901,1058 14.32,1059 18.524,1060 0.293,1061 29.126,1062 13.966,1063 2.052,1064 5.918,1065 25.35,1066 3.408,1067 15.436,1068 20.001,1070 31.512,1071 15.058,1072 1.982,1073 5.8,1074 27.23,1075 2.861,1076 16.584,1077 21.526,1078 0.221,1079 33.925,1080 16.181,1081 1.623,1082 5.781,1083 29.115,1084 2.789,1085 17.718,1086 23.027,1088 36.326,1089 17.291,1090 5959,1091 9914,1092 16.819,1093 28.819,1094 38.696,1095 39.093,1096 40.704,1097 38.415,1098 38.472,1099 51.7,1100 3.035,1101 113.16,1102 36.574,1103 5.494,1104 5.316,1105 6.378,1106 5.26,1107 5.212,1108 7.616,1109 1.72,1110 18.468,1111 5.13,1112 13.758,1113 1.488,1114 1.504,1115 1.566,1116 1.477,1117 1.48,1118 1.988,1119 0.117,1120 4.352,1121 1.407,1122 4.074,1123 4.114,1124 4.049,1125 3.962,1126 5.321,1127 3.978,1128 3.927,1129 3.955,1130 3.875,1131 3.846,1132 4.982,1133 3.849,1134 3.551,1135 3.62,1136 3.48,1137 3.364,1138 4.876,1139 3.386,1140 3.32,1141 3.383,1142 3.166,1143 3.099,1144 4.798,1145 3.104,1146 3.218,1147 3.311,1148 3.06,1149 2.985,1150 4.405,1151 2.986,1152 3.141,1153 3.24,1154 3.033,1155 2.875,1156 4.228,1157 2.898,1158 3.024,1159 3.152,1160 2.812,1161 2.805,1162 4.051,1163 2.78,1164 3.012,1165 3.113,1166 2.755,1167 2.705,1168 3.967,1169 2.722,1170 0.179,1171 0.128,1172 0.263,1173 0.161,1174 0.124,1175 4.654,1176 0.178,1177 3.316,1178 0.033,1179 6.835,1180 0.432,1181 4.185,1182 0.12,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.13,1188 1.999,1189 1.968,1190 2.067,1191 2.133,1192 1.231,1193 2.113,1194 1.902,1195 1.878,1196 2.007,1197 2.009,1198 1.127,1199 2.009,1200 1.485,1201 1.423,1202 1.645,1203 1.712,1204 0.757,1205 1.701,1206 1.279,1207 1.215,1208 1.602,1209 1.56,1210 0.617,1211 1.576,1212 1.192,1213 1.101,1214 1.542,1215 1.473,1216 0.559,1217 1.498,1218 1.084,1219 0.988,1220 1.451,1221 1.38,1222 0.521,1223 1.386,1224 1.018,1225 0.928,1226 1.28,1227 1.335,1228 0.226,1229 1.341,1230 0.946,1231 0.826,1232 1.257,1233 1.282,1234 0.121,1235 1.309,1236 3.97,1238 5.303,1240 6.841,1242 8.478,1244 10.168,1246 5.668,1250 11.613,1252 0.582,1253 3.386,1254 5.389,1262 27.531,1263 68.78,1264 164.287,1265 203.195,1266 213.95,1267 219.95,1268 219.95,1269 33.746,1270 7.093,1271 111.97,1272 111.97,1273 18,1274 12.423,1275 4.17,1276 3.248,1277 39.305,1278 84,1279 74,1280 0.233,1281 173.003,1282 286.55,1283 413.887,1284 10892,1286 17.267,1287 0.719,1288 0.58,1289 17.267,1290 13.921,1291 11.49,1292 0.442,1293 0.29,1294 7.423,1295 11.006,1296 7.121,1297 5.998,1298 11.49,1299 7.55,1300 10.512,1301 0.284,1302 0.152,1303 10.512,1304 5.631,1305 8.774,1306 0.179,1307 0.081,1308 8.774,1309 3.959,1310 7.578,1311 0.118,1312 0.042,1313 7.578,1314 2.662,1315 5.672,1316 0.073,1317 0.022,1318 5.672,1319 1.679,1320 0.362,1321 72.36,1322 0.244,1323 23.255,1324 0.646,1325 126,1326 359.628,1327 138.759,1328 354.329,1329 493.19,1330 332,1331 149,1332 374.024,1333 161.704,1334 384.12,1335 558.7,1336 358,1337 6.796}
{0 CHEMBL279914,1 1.572,2 10.13,3 2.282,4 5.207,5 92.433,6 8.036,7 0.808,8 3.78,9 3.904,10 3.412,11 3.329,12 4.98,13 3.337,14 4.238,15 4.383,16 3.782,17 3.722,18 5.435,19 3.706,20 4.436,21 4.621,22 3.781,23 3.808,24 5.507,25 3.766,26 4.497,27 4.702,28 3.684,29 3.735,30 5.629,31 3.659,32 4.448,33 4.701,34 3.355,35 3.569,36 5.448,37 3.464,38 4.221,39 4.48,40 3.239,41 3.427,42 5.129,43 3.325,44 4.082,45 4.302,46 3.273,47 3.357,48 5.119,49 3.289,50 4.04,51 4.272,52 3.225,53 3.287,54 5.1,55 3.233,56 0.067,57 0.61,58 6.898,59 2.893,60 11.006,61 3.527,62 0.218,63 0.938,64 11.822,65 5.194,66 20.573,67 6.526,68 0.14,69 1.1,70 15.618,71 6.127,72 16.977,73 8.094,74 0.383,75 1.096,76 18.045,77 6.812,78 37.417,79 9.249,80 0.398,81 1.003,82 19.41,83 6.124,84 41.179,85 8.239,86 0.172,87 0.794,88 15.338,89 5.427,90 21.924,91 7.694,92 0.161,93 0.707,94 12.466,95 4.702,96 20.065,97 6.299,98 0.171,99 0.69,100 12.128,101 4.002,102 21.121,103 5.438,104 5,105 37,106 0.276,107 0.617,108 0.745,109 0.845,110 0.867,111 0.886,112 3.188,113 0.833,114 -4.31,115 -4.25,116 -4.01,119 44.7,125 1,139 7,140 4,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 10,169 2,170 4,172 3,173 3,175 4,178 12,180 1,182 2,187 4,189 10,191 1,192 1,195 3,196 4,197 1,198 3,200 2,201 6,204 1,205 1,210 2,211 1,212 3,214 1,215 5,218 1,221 2,226 1,229 4,234 6,238 1,239 2,240 1,241 4,243 2,246 6,251 2,254 3,256 2,260 6,265 4,268 1,270 4,273 647,274 15.74,275 15.74,276 15.74,277 15.74,278 15.74,279 13.246,280 16.037,281 9.219,282 15.976,283 12.859,284 12.859,285 12.859,286 12.859,287 12.859,288 9.114,289 25.266,290 4.396,291 13.252,292 3.676,293 1.737,294 1.011,295 0.441,296 0.316,297 0.211,298 3.89,300 1,301 1,302 1,303 520,304 2.449,306 45.036,307 167.144,310 84.935,311 94.275,314 1.365,315 17.578,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49.5,327 233,328 4.638,329 3.27,330 6.78,331 4.165,332 3.188,333 4.608,334 0.657,335 11.108,336 3.117,337 4.406,338 2.949,339 6.183,340 3.918,341 2.922,342 4.336,344 9.226,345 2.91,346 3.729,347 2.572,348 5.345,349 3.328,350 2.381,351 3.166,353 6.853,354 2.259,355 3.621,356 2.354,357 5.218,358 3.189,359 2.237,360 3.042,362 6.518,363 2.121,364 3.406,365 2.066,366 5.063,367 2.923,368 1.98,369 2.788,371 5.79,372 1.866,373 3.118,374 1.918,375 4.755,376 2.68,377 1.719,378 2.427,380 4.963,381 1.646,382 3.054,383 1.618,384 4.413,385 2.618,386 1.618,387 2.232,389 4.364,390 1.618,391 2.894,392 1.424,393 3.622,394 2.406,395 1.409,396 2.083,398 3.017,399 1.404,400 2.311,401 0.963,402 3.589,403 1.853,404 0.876,405 1.232,407 2.13,408 0.854,409 2.202,410 0.82,411 3.286,412 1.733,413 0.75,414 1.067,415 1.782,416 0.736,417 1.802,418 0.631,419 3.123,420 1.495,421 0.534,422 0.666,423 1.304,424 0.512,425 1.146,426 -0.007,427 2.69,428 0.75,429 -0.197,430 -0.25,431 -0.52,432 -0.186,433 1.021,434 -0.272,435 2.542,436 0.565,437 -0.386,438 -0.517,439 -0.995,440 -0.365,441 0.882,442 -0.362,443 2.273,444 0.393,445 -0.535,446 -0.662,448 -1.273,449 -0.498,450 0.798,451 -0.618,452 2.1,453 0.382,454 -0.618,455 -0.927,457 -1.597,458 -0.618,459 10.833,460 0.471,461 0.554,462 0.024,463 35,464 1.522,465 19.5,466 0.848,467 15.5,468 0.674,469 13.693,470 0.595,471 23.367,472 0.615,473 23.396,474 1.017,475 7.019,476 0.305,477 4.185,478 0.182,479 0.074,481 0.369,485 1.097,486 1.083,487 0.764,488 0.84,489 1.268,490 0.751,491 0.708,492 0.879,493 0.763,494 0.928,495 0.506,496 0.878,497 0.928,498 1.21,499 0.961,500 1.12,501 0.865,502 1.052,503 0.713,504 1.139,505 1.057,506 1.231,507 0.64,508 1.219,509 1.384,510 0.755,511 1.283,512 0.915,513 1.383,514 1.057,515 0.791,516 0.871,517 0.912,518 0.929,519 0.773,520 0.93,521 0.986,522 0.947,523 0.906,524 0.982,525 0.812,526 0.952,527 1.209,528 0.911,529 0.974,530 0.842,531 1.187,532 0.855,533 4.5,534 0.066,535 2.444,536 1.66,537 1.365,538 0.399,539 0.354,540 0.214,541 0.217,542 0.168,543 6247,544 16744,545 2.168,546 39.5,548 9,549 1,551 5,555 1.653,556 2.06,557 3.3,558 2.675,559 1,560 1,562 1,564 59.721,565 1.572,566 3.511,567 4.237,568 4.807,569 4.932,570 5.037,571 2.699,572 4.35,573 4.5,574 3.425,575 866.487,576 7.721,577 9867.77,578 1,579 1,581 1,582 199.421,583 1.302,584 4.469,585 0.173,586 0.005,587 0.066,588 0.046,589 0.046,590 0.019,591 0.018,592 0.01,593 0.011,594 0.009,595 0.403,596 0.17,597 1,598 0.503,599 107.974,600 -0.186,601 0.055,602 0.012,603 0.104,604 -0.313,605 0.103,606 0.234,607 0.195,608 0.065,609 0.045,610 0.243,611 0.023,612 -0.098,613 -0.183,614 -0.076,615 -0.151,616 -0.107,617 -0.113,618 0.337,619 -0.174,620 -0.096,621 -0.256,622 0.289,623 -0.258,624 -0.195,625 0.196,626 -0.234,627 0.037,628 -0.266,629 -0.084,630 -0.016,631 0.032,632 0.115,633 0.085,634 0.002,635 0.121,636 -0.006,637 -0.021,638 0.078,639 0.028,640 0.096,641 0.056,642 -0.177,643 0.066,644 0.024,645 0.12,646 -0.151,647 0.116,648 1.557,649 1.927,650 0.826,651 16.93,652 1.007,653 1.126,654 3.08,655 9.487,656 0.692,657 3.296,658 3.638,659 3.932,660 4.234,661 4.419,662 4.454,663 4.511,664 4.615,665 4.691,666 4.691,667 5.877,668 0.67,669 305.37,670 3.296,671 4.844,672 5.707,673 6.597,674 7.473,675 8.366,676 9.245,677 10.139,678 11.022,679 11.916,680 13.2,684 2,685 1,690 2,694 4,695 8,696 2,698 1,700 4,702 21,711 2,712 1,718 38,719 21,720 2,721 26,723 41,724 17,725 16,726 3,727 7,729 4,730 6,741 16,742 1,753 1,754 1,756 1,757 15,758 6,759 5,760 6,764 5,769 0.5,770 1,776 1,780 1,781 3,784 1,785 1,802 2,810 23,811 2,816 1,817 1,829 2.6,834 1,836 11.167,837 6.65,838 4.944,839 2.054,840 4.282,841 1.577,842 1.072,843 3.37,844 11.707,845 3.624,846 4.327,847 5.001,848 5.662,849 6.2,850 6.495,851 6.832,852 7.214,853 7.459,854 7.529,855 0.857,856 36,857 8.418,859 3.62,860 7.71,861 15.992,863 13.228,865 2.21,866 50.833,870 117.711,871 102.475,872 117.376,874 9.507,877 102.475,878 127.218,879 117.376,881 2.106,882 143.868,883 55.989,884 23.169,885 15.998,886 105.94,888 117.711,889 219.851,890 9.507,893 117.711,894 9.507,897 8.412,898 159.857,899 51.582,901 117.711,902 126.884,903 102.475,906 117.711,907 24.401,908 78.073,909 18.011,910 108.873,911 117.711,912 126.884,913 102.475,915 0.586,916 0.346,917 0.198,918 0.103,919 20,920 8,921 0.073,922 3,923 2,924 1.211,925 3.623,926 188.358,927 0.211,928 19,929 104.042,933 14,934 5.537,935 2.607,936 3.503,937 126.884,938 16.095,939 8.033,941 5.418,943 2.355,945 83.805,946 347.069,947 36.5,956 38.254,957 42.777,958 0.299,959 0.669,960 0.807,961 0.916,962 0.94,963 0.96,964 4.846,965 1.409,966 5.694,967 4.364,968 4.317,969 5.014,970 0.623,971 6.515,972 4.262,973 6.086,974 0.876,975 7.253,976 3.017,977 3.892,978 4.913,980 7.416,981 3.807,982 7.414,983 0.75,984 8.912,985 2.13,986 5.916,987 7.361,988 0.317,989 10.535,990 5.816,991 8.782,992 0.534,993 10.63,994 1.782,995 6.312,996 8.11,998 12.303,999 6.195,1000 10.181,1001 -0.197,1002 12.388,1003 1.304,1004 7.804,1005 10.013,1006 0.149,1007 14.936,1008 7.672,1009 11.605,1010 -0.386,1011 14.175,1012 -0.52,1013 8.595,1014 11.171,1016 17.073,1017 8.452,1018 13.048,1019 -0.535,1020 15.984,1021 -0.995,1022 9.871,1023 12.846,1024 0.067,1025 19.544,1026 9.712,1027 3.188,1028 -0.618,1029 17.81,1030 -1.273,1031 10.851,1032 14.198,1034 21.834,1035 10.679,1036 2.922,1037 11.108,1038 19.65,1039 -1.597,1040 12.039,1041 15.777,1042 0.03,1043 24.251,1044 11.851,1045 2.381,1046 9.226,1047 21.501,1048 4.608,1049 13.107,1050 17.217,1052 26.603,1053 12.903,1054 2.237,1055 6.853,1056 23.362,1057 4.336,1058 14.263,1059 18.755,1060 0.013,1061 29.005,1062 14.041,1063 1.98,1064 6.518,1065 25.231,1066 3.166,1067 15.371,1068 20.235,1070 31.384,1071 15.13,1072 1.719,1073 5.79,1074 27.106,1075 3.042,1076 16.516,1077 21.757,1078 0.006,1079 33.782,1080 16.256,1081 1.618,1082 4.963,1083 28.986,1084 2.788,1085 17.643,1086 23.254,1088 36.174,1089 17.362,1090 5806,1091 9644,1092 17.8,1093 26.29,1094 39.48,1095 39.241,1096 40.136,1097 39.292,1098 39.228,1099 55.295,1100 1.315,1101 114.108,1102 38.083,1103 5.474,1104 5.27,1105 6.467,1106 5.236,1107 5.188,1108 7.608,1109 1.315,1110 17.998,1111 5.117,1112 8.519,1113 1.518,1114 1.509,1115 1.544,1116 1.511,1117 1.509,1118 2.127,1119 0.051,1120 4.389,1121 1.465,1122 4.112,1123 4.136,1124 4.081,1125 4.045,1126 5.363,1127 4.043,1128 4.046,1129 4.066,1130 4.011,1131 3.918,1132 4.985,1133 3.946,1134 3.548,1135 3.612,1136 3.463,1137 3.419,1138 4.949,1139 3.419,1140 3.395,1141 3.453,1142 3.322,1143 3.188,1144 4.904,1145 3.215,1146 3.125,1147 3.198,1148 3.013,1149 2.968,1150 4.398,1151 2.962,1152 3.074,1153 3.186,1154 2.949,1155 2.791,1156 4.141,1157 2.819,1158 2.998,1159 3.061,1160 2.855,1161 2.725,1162 3.988,1163 2.765,1164 2.639,1165 2.714,1166 2.515,1167 2.515,1168 3.819,1169 2.506,1170 0.178,1171 0.126,1172 0.261,1173 0.16,1174 0.123,1175 4.638,1176 0.177,1177 3.27,1178 0.025,1179 6.78,1180 0.427,1181 4.165,1182 0.12,1183 3.188,1184 4.608,1185 0.657,1186 11.108,1187 3.117,1188 2.07,1189 2.051,1190 2.156,1191 2.131,1192 1.285,1193 2.141,1194 1.822,1195 1.79,1196 1.88,1197 1.997,1198 1.07,1199 1.959,1200 1.55,1201 1.505,1202 1.696,1203 1.764,1204 0.727,1205 1.749,1206 1.408,1207 1.377,1208 1.571,1209 1.568,1210 0.596,1211 1.571,1212 1.08,1213 1.032,1214 1.299,1215 1.357,1216 0.36,1217 1.344,1218 0.966,1219 0.912,1220 1.256,1221 1.346,1222 0.194,1223 1.311,1224 0.953,1225 0.846,1226 1.197,1227 1.197,1228 0.03,1229 1.223,1230 0.759,1231 0.668,1232 1.052,1233 1.064,1235 1.075,1236 3.97,1238 5.303,1239 2.398,1240 6.834,1241 4.727,1242 8.46,1243 6.843,1244 10.134,1250 11.501,1252 0.558,1253 3.371,1262 25.456,1263 59.721,1264 133.405,1265 161.015,1266 182.666,1267 187.421,1268 191.421,1269 26.066,1270 7.425,1271 102.99,1272 102.99,1273 23,1274 12.444,1275 4.459,1276 3.524,1277 32.045,1278 83,1279 69,1280 0.192,1281 155.888,1282 249.65,1283 372.126,1284 17595,1286 15.811,1287 0.687,1288 0.534,1289 15.811,1290 12.283,1291 11.204,1292 0.431,1293 0.278,1294 7.123,1295 10.812,1296 6.994,1297 5.796,1298 11.204,1299 7.223,1300 10.29,1301 0.278,1302 0.144,1303 10.29,1304 5.324,1305 8.727,1306 0.175,1307 0.076,1308 8.727,1309 3.787,1310 7.826,1311 0.115,1312 0.039,1313 7.826,1314 2.673,1315 6.067,1316 0.074,1317 0.021,1318 6.067,1319 1.736,1320 0.303,1321 69.977,1322 0.237,1323 22.635,1324 0.521,1325 126,1326 347.983,1327 137.758,1328 345.295,1329 486.84,1330 324,1331 150,1332 377.378,1333 161.48,1334 384.302,1335 563.5,1336 362,1337 4.438}
{0 CHEMBL279983,1 1.638,2 10.76,3 1.846,4 3.407,5 97.588,6 7.565,7 0.63,8 3.922,9 4.054,10 3.489,11 3.366,12 5.117,13 3.381,14 4.403,15 4.587,16 3.829,17 3.716,18 5.553,19 3.716,20 4.521,21 4.682,22 3.944,23 3.874,24 5.648,25 3.864,26 4.695,27 4.887,28 3.902,29 3.929,30 5.844,31 3.865,32 4.825,33 5.097,34 3.657,35 3.877,36 5.786,37 3.768,38 4.648,39 4.911,40 3.52,41 3.725,42 5.582,43 3.613,44 4.486,45 4.734,46 3.462,47 3.622,48 5.455,49 3.529,50 4.448,51 4.711,52 3.416,53 3.547,54 5.391,55 3.45,56 0.09,57 0.698,58 9.301,59 3.4,60 12.478,61 4.689,62 0.368,63 1.017,64 17.334,65 5.822,66 31.511,67 7.88,68 0.262,69 1.204,70 18.152,71 6.203,72 18.9,73 8.814,74 0.447,75 1.33,76 22.647,77 7.864,78 40.783,79 11.239,80 0.573,81 1.301,82 29.529,83 7.698,84 55.404,85 12.345,86 0.475,87 1.059,88 24.891,89 7.682,90 43.611,91 11.314,92 0.361,93 0.943,94 20.414,95 6.241,96 33.742,97 9.373,98 0.291,99 0.878,100 20.115,101 6.402,102 30.311,103 9.593,104 30,105 38,106 0.283,107 0.652,108 0.798,109 0.839,110 0.847,111 0.87,112 3.267,113 0.851,114 -3.15,115 -3.14,116 -3.02,119 37.8,120 1,124 2,125 1,139 3,140 3,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 4,169 2,170 7,172 3,173 3,175 3,178 4,180 1,182 5,185 1,187 4,189 1,191 1,192 2,193 6,195 3,196 4,197 1,198 5,200 2,201 1,204 3,205 1,207 1,210 1,212 1,215 3,218 1,221 2,224 2,225 1,226 2,228 1,229 4,231 2,233 1,234 5,241 4,246 3,250 1,251 1,253 1,256 1,259 3,260 6,262 1,263 1,265 2,270 2,273 855,274 16.826,275 16.826,276 16.826,277 16.826,278 16.826,279 14.692,280 23.752,281 9.666,282 17.465,283 13.154,284 13.154,285 13.154,286 13.154,287 13.154,288 9.83,289 33.191,290 4.381,291 14.001,292 3.854,293 1.715,294 0.867,295 0.628,296 0.584,297 0.45,298 3.946,300 1,301 1,302 1,303 569,304 2.915,307 212.549,311 111.428,314 1.469,315 23.089,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 55,327 269,328 4.654,329 3.317,330 6.835,331 4.185,332 3.212,333 4.616,334 0.86,335 11.231,336 3.13,337 4.267,338 3.155,339 6.173,340 3.858,341 2.904,342 3.911,343 0.86,344 9.17,345 2.765,346 3.904,347 2.749,348 5.797,349 3.495,350 2.539,351 3.409,352 0.657,353 7.848,354 2.428,355 3.548,356 2.641,357 5.224,358 3.167,359 2.242,360 2.864,362 6.513,363 2.067,364 3.453,365 2.231,366 5.096,367 2.983,368 2.049,369 2.856,371 5.912,372 1.907,373 3.382,374 2.065,375 5.009,376 2.901,377 1.98,378 2.704,380 5.793,381 1.82,382 2.923,383 1.985,384 4.411,385 2.546,386 1.618,387 2.061,389 4.253,390 1.494,391 2.706,392 1.618,393 4.227,394 2.307,395 1.353,396 1.777,398 3.523,399 1.287,400 2.129,401 1.198,402 3.38,403 1.834,404 0.9,405 1.071,407 2.042,408 0.836,409 1.723,410 0.946,411 3,412 1.417,413 0.518,414 0.598,415 0.975,416 0.461,417 1.592,418 0.925,419 2.823,420 1.32,421 0.464,422 0.512,423 0.673,424 0.394,425 1.331,426 0.385,427 2.776,428 0.964,429 0.05,430 0.061,431 0.103,432 0.046,433 1.187,434 0.112,435 2.718,436 0.836,437 -0.115,438 -0.141,439 -0.297,440 -0.11,441 0.938,442 -0.106,443 2.534,444 0.523,445 -0.392,446 -0.493,448 -0.867,449 -0.357,450 0.751,451 -0.303,452 2.18,453 0.389,454 -0.528,455 -0.631,457 -1.214,458 -0.481,459 11.567,460 0.463,461 0.644,462 0.026,463 35.5,464 1.42,465 18.5,466 0.74,467 17,468 0.68,469 17.967,470 0.719,471 27.433,472 0.61,473 26.235,474 1.049,475 7.286,476 0.291,477 4.743,478 0.19,479 0.199,481 0.389,485 1.057,486 1.396,487 0.815,488 1.12,489 1.213,490 0.938,491 1.146,492 0.825,493 0.743,494 0.746,495 0.719,496 0.697,497 1.059,498 1.388,499 0.935,500 1.152,501 0.909,502 1.039,503 0.752,504 1.307,505 1.114,506 1.395,507 0.709,508 1.343,509 1.071,510 0.892,511 1.167,512 0.931,513 1.209,514 1.025,515 1.011,516 0.812,517 1.012,518 0.945,519 0.944,520 0.987,521 0.966,522 0.933,523 1.022,524 0.99,525 0.98,526 1.01,527 0.823,528 0.985,529 0.828,530 1.008,531 0.763,532 0.942,533 5.5,534 0.169,535 3.111,536 2.188,537 1.862,538 0.875,539 0.384,540 0.373,541 0.316,542 0.172,543 6867,544 20077,545 2.015,546 44.4,547 3,548 11,550 1,551 5,555 1.679,556 1.852,557 3.365,558 2.647,559 1,560 1,564 73.698,565 1.638,566 3.777,567 4.625,568 4.864,569 4.908,570 5.042,571 2.821,572 4.484,573 4.617,574 3.5,575 1049.86,576 7.976,577 12682.4,579 1,581 1,582 247.133,583 1.516,584 4.555,585 0.204,586 0.011,587 0.082,588 0.052,589 0.05,590 0.031,591 0.015,592 0.016,593 0.014,594 0.008,595 0.483,596 0.17,597 1,598 0.942,599 120.684,600 -0.15,601 -0.142,602 0.027,603 -0.041,604 -0.255,605 0.027,606 -0.003,607 0.268,608 0.197,609 0.281,610 0.176,611 0.266,612 -0.109,613 -0.216,614 -0.055,615 -0.1,616 -0.094,617 -0.073,618 0.139,619 -0.205,620 -0.21,621 -0.372,622 0.154,623 -0.371,624 -0.171,625 0.067,626 -0.171,627 -0.006,628 -0.229,629 -0.065,630 -0.047,631 0.084,632 -0.012,633 0.047,634 -0.035,635 0.021,636 -0.066,637 0.021,638 -0.049,639 0.007,640 -0.11,641 -0.01,642 0.037,643 -0.096,644 0.161,645 0.008,646 0.088,647 0.091,648 1.55,649 1.986,650 0.64,651 20.528,652 1.01,653 1.14,654 1.916,655 3.672,656 0.651,657 3.332,658 3.664,659 3.951,660 4.205,661 4.407,662 4.454,663 4.454,664 4.522,665 4.625,666 4.654,667 6.139,668 0.628,669 340.43,670 3.332,671 4.875,672 5.733,673 6.619,674 7.492,675 8.381,676 9.259,677 10.151,678 11.031,679 11.923,680 13.3,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 2,718 45,719 17,720 1,721 27,723 47,724 17,725 13,726 3,727 3,729 3,730 4,734 1,741 13,742 4,753 1,754 1,757 20,758 8,759 5,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 3,810 25,811 2,816 1,817 1,818 2,829 4.4,834 2,836 13.5,837 8.933,838 5.639,839 2.303,840 3.414,841 1.476,842 0.983,843 4.992,844 10.591,845 3.597,846 4.263,847 4.898,848 5.503,849 6.071,850 6.342,851 6.616,852 6.958,853 7.344,854 7.469,855 1,856 42,857 9.135,859 3.755,860 7.78,861 17.171,863 13.428,865 2.28,866 57,870 176.567,871 98.303,872 134.162,874 22,877 98.303,878 198.566,879 134.162,880 30.591,881 2.106,882 94.223,883 80.138,884 54.95,885 4.227,886 164.795,888 176.567,889 232.465,890 22,893 178.282,894 22,897 21.877,898 140.505,899 68.367,901 176.567,902 156.161,903 98.303,906 176.567,907 30.236,908 68.067,909 18.011,910 138.151,911 176.567,912 156.161,913 98.303,915 0.581,916 0.357,917 0.195,918 0.102,919 18,920 9,921 0.106,922 5,923 1,924 1.125,925 3.613,926 204.625,927 0.125,928 16,929 114.096,933 17.359,934 7.19,935 3.488,936 1.212,937 156.161,938 7.347,939 12.487,943 4.661,945 83.805,946 431.031,947 35.5,956 45.451,957 51.315,958 0.298,959 0.688,960 0.842,961 0.886,962 0.894,963 0.918,964 4.83,965 1.353,966 5.733,967 4.253,968 4.344,969 4.949,970 1.573,971 6.567,972 4.233,973 6.067,974 0.9,975 7.313,976 3.523,977 4.007,978 4.913,980 7.526,981 3.873,982 7.399,983 0.518,984 8.989,985 2.042,986 5.964,987 7.258,988 1.27,989 10.623,990 5.774,991 8.77,992 0.464,993 10.722,994 0.975,995 6.415,996 8.015,998 12.392,999 6.21,1000 10.169,1001 0.05,1002 12.492,1003 0.673,1004 7.862,1005 9.867,1006 1.022,1007 15.034,1008 7.616,1009 11.59,1010 -0.115,1011 14.287,1012 0.103,1013 8.682,1014 11.007,1016 17.159,1017 8.42,1018 13.029,1019 -0.392,1020 16.102,1021 -0.297,1022 9.934,1023 12.659,1024 0.818,1025 19.645,1026 9.641,1027 3.212,1028 -0.528,1029 17.932,1030 -0.867,1031 10.928,1032 13.993,1034 21.929,1035 10.617,1036 2.904,1037 11.231,1038 19.775,1039 -1.214,1040 12.106,1041 15.562,1042 0.65,1043 24.361,1044 11.768,1045 2.539,1046 9.17,1047 21.63,1048 4.616,1049 13.182,1050 16.992,1052 26.715,1053 12.823,1054 2.242,1055 7.848,1056 23.493,1057 3.911,1058 14.336,1059 18.528,1060 0.511,1061 29.131,1062 13.952,1063 2.049,1064 6.513,1065 25.364,1066 3.409,1067 15.45,1068 20.005,1070 31.516,1071 15.044,1072 1.98,1073 5.912,1074 27.242,1075 2.864,1076 16.597,1077 21.53,1078 0.399,1079 33.928,1080 16.168,1081 1.618,1082 5.793,1083 29.126,1084 2.856,1085 17.73,1086 23.03,1088 36.329,1089 17.278,1090 6775,1091 11703,1092 17.512,1093 29.273,1094 39.669,1095 40.741,1096 42.026,1097 39.554,1098 39.659,1099 52.879,1100 4.755,1101 116.074,1102 37.267,1103 5.495,1104 5.317,1105 6.393,1106 5.26,1107 5.212,1108 7.616,1109 1.72,1110 18.468,1111 5.13,1112 14.296,1113 1.469,1114 1.509,1115 1.557,1116 1.465,1117 1.469,1118 1.958,1119 0.176,1120 4.299,1121 1.38,1122 4.073,1123 4.113,1124 4.049,1125 3.96,1126 5.321,1127 3.976,1128 3.916,1129 3.937,1130 3.872,1131 3.817,1132 4.982,1133 3.826,1134 3.551,1135 3.617,1136 3.481,1137 3.361,1138 4.932,1139 3.384,1140 3.317,1141 3.374,1142 3.182,1143 3.039,1144 4.803,1145 3.061,1146 3.232,1147 3.313,1148 3.058,1149 2.97,1150 4.581,1151 2.976,1152 3.168,1153 3.261,1154 3.039,1155 2.923,1156 4.309,1157 2.93,1158 3.087,1159 3.188,1160 2.899,1161 2.813,1162 4.168,1163 2.826,1164 3.023,1165 3.152,1166 2.802,1167 2.703,1168 4.027,1169 2.72,1170 0.172,1171 0.123,1172 0.253,1173 0.155,1174 0.119,1175 4.654,1176 0.171,1177 3.317,1178 0.032,1179 6.835,1180 0.416,1181 4.185,1182 0.116,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.13,1188 1.998,1189 1.967,1190 2.062,1191 2.133,1192 1.228,1193 2.112,1194 1.87,1195 1.852,1196 1.959,1197 1.997,1198 1.063,1199 1.984,1200 1.48,1201 1.42,1202 1.635,1203 1.712,1204 0.736,1205 1.697,1206 1.24,1207 1.174,1208 1.588,1209 1.562,1210 0.583,1211 1.567,1212 1.192,1213 1.107,1214 1.555,1215 1.494,1216 0.56,1217 1.515,1218 1.145,1219 1.057,1220 1.515,1221 1.421,1222 0.558,1223 1.453,1224 1.016,1225 0.921,1226 1.274,1227 1.35,1228 0.198,1229 1.343,1230 0.946,1231 0.826,1232 1.254,1233 1.32,1234 0.159,1235 1.32,1236 4.007,1238 5.333,1240 6.868,1242 8.504,1244 10.193,1246 5.193,1250 11.611,1252 0.543,1253 3.341,1254 10.606,1262 28.246,1263 73.698,1264 169.96,1265 208.114,1266 218.869,1267 220.869,1268 226.869,1269 36.268,1270 7.178,1271 121.2,1272 121.2,1273 18,1274 12.453,1275 4.17,1276 3.248,1277 41.883,1278 93,1279 94,1280 0.224,1281 176.999,1282 295.34,1283 423.638,1284 12143,1286 17.974,1287 0.719,1288 0.573,1289 17.974,1290 14.329,1291 12.028,1292 0.445,1293 0.284,1294 7.493,1295 11.387,1296 7.22,1297 6.067,1298 12.028,1299 7.662,1300 10.681,1301 0.281,1302 0.145,1303 10.681,1304 5.494,1305 9.198,1306 0.18,1307 0.079,1308 9.198,1309 4.013,1310 7.8,1311 0.118,1312 0.04,1313 7.8,1314 2.646,1315 5.907,1316 0.073,1317 0.021,1318 5.907,1319 1.663,1320 0.352,1321 76.703,1322 0.239,1323 24.21,1324 0.614,1325 130,1326 407.364,1327 145.637,1328 391.774,1329 540.99,1330 368,1331 154,1332 404.57,1333 169.362,1334 412.941,1335 600.09,1336 384,1337 6.67}
{0 CHEMBL280374,1 1.426,2 8.739,3 3.965,4 15.72,5 96.965,6 6.418,7 0.5,8 3.946,9 4.094,10 3.364,11 3.434,12 5.017,13 3.387,14 4.472,15 4.687,16 3.708,17 3.818,18 5.447,19 3.742,20 4.672,21 4.876,22 3.826,23 4.015,24 5.625,25 3.92,26 4.886,27 5.128,28 3.837,29 4.094,30 5.817,31 3.974,32 4.919,33 5.147,34 3.764,35 4.133,36 5.789,37 3.994,38 4.975,39 5.234,40 3.588,41 4.137,42 5.776,43 3.935,44 5.086,45 5.44,46 3.492,47 3.997,48 5.72,49 3.759,50 4.74,51 5.052,52 3.455,53 3.68,54 5.68,55 3.523,56 0.065,57 0.705,58 11.729,59 4.368,60 13.86,61 6.476,62 0.245,63 1.063,64 20.156,65 7.67,66 28.212,67 10.944,68 0.137,69 1.307,70 24.381,71 9.112,72 23.946,73 13.532,74 0.314,75 1.449,76 30.677,77 10.874,78 45.183,79 15.998,80 0.339,81 1.487,82 31.763,83 11.361,84 40.823,85 16.588,86 0.218,87 1.551,88 32.841,89 12.26,90 37.289,91 18.471,92 0.263,93 1.442,94 36.76,95 12.522,96 42.934,97 19.713,98 0.4,99 1.118,100 26.871,101 7.272,102 50.315,103 12.418,104 59,105 34,106 0.245,107 0.554,108 0.701,109 0.715,110 0.715,111 0.715,112 3.189,113 0.988,114 -4.74,115 -4.66,116 -4.37,119 36.7,120 4,121 1,122 2,124 1,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 12,169 1,170 4,172 3,173 3,175 1,178 15,180 1,182 6,187 1,189 14,191 1,193 7,195 1,196 1,197 1,198 2,200 2,201 15,204 2,205 1,207 5,212 3,215 14,218 3,221 5,226 3,229 8,231 3,234 4,239 4,243 4,245 2,246 8,248 1,249 1,251 6,256 6,265 2,270 2,273 696,274 14.801,275 14.801,276 14.801,277 14.801,278 14.801,279 13.297,280 22.813,281 8.495,282 15.145,283 11.734,284 11.734,285 11.734,286 11.734,287 11.734,288 9.329,289 27.595,290 3.894,291 12.199,292 4.189,293 2.397,294 1.546,295 1.465,296 1.465,297 1.465,298 3.842,300 1,301 1,302 1,303 405,304 3.391,307 160.451,314 1.187,315 17.719,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 49,327 201,328 4.498,329 3.441,330 6.752,331 4.158,332 3.175,333 4.162,334 0.86,335 10.985,336 3.121,337 4.234,338 3.082,339 6.09,340 3.826,341 2.866,342 3.878,343 0.68,344 8.852,345 2.756,346 3.659,347 2.779,348 5.859,349 3.491,350 2.491,351 2.947,353 7.772,354 2.491,355 3.613,356 2.539,357 5.283,358 3.257,359 2.295,360 2.875,362 6.736,363 2.211,364 3.366,365 2.198,366 4.922,367 2.946,368 2.004,369 2.668,371 5.651,372 1.877,373 2.824,374 2.122,375 4.674,376 2.684,377 1.732,378 1.952,380 4.361,381 1.639,382 2.791,383 1.562,384 4.133,385 2.351,386 1.418,387 1.803,389 3.66,390 1.319,391 2.268,392 1.108,393 3.71,394 2,395 1,396 1.222,398 2.501,399 1,400 1.831,401 1,402 3.253,403 1.594,404 0.691,405 0.76,407 1.42,408 0.617,409 1.538,410 0.626,411 2.839,412 1.242,413 0.318,414 0.375,415 0.66,416 0.293,417 0.97,418 0.105,419 2.592,420 0.644,421 -0.288,422 -0.343,423 -0.587,424 -0.266,425 0.796,426 -0.314,427 2.359,428 0.393,429 -0.514,430 -0.621,431 -1.242,432 -0.466,433 0.732,434 -0.395,435 2.323,436 0.343,437 -0.657,438 -0.859,439 -1.938,440 -0.657,441 0.471,442 -0.533,443 2,444 0.196,445 -0.754,446 -0.869,448 -2,449 -0.709,450 0.051,451 -0.949,452 1.704,454 -1,455 -1,457 -2,458 -1,459 10.933,460 0.475,461 0.757,462 0.033,463 27.5,464 1.196,465 13.5,466 0.587,467 14,468 0.609,469 22.438,470 0.976,471 26.267,472 0.536,473 19.224,474 0.836,475 5.013,476 0.218,477 5.816,478 0.253,479 0.302,481 0.412,485 1.042,486 1.329,487 0.99,488 1.181,489 1.296,490 1.088,491 0.842,492 0.819,493 0.777,494 0.871,495 0.524,496 0.839,497 0.862,498 1.273,499 1.009,500 1.242,501 0.802,502 1.156,503 1.148,504 0.979,505 1.032,506 1.074,507 0.899,508 1.053,509 1.55,510 1.088,511 1.25,512 1.151,513 1.049,514 1.189,515 0.699,516 1.286,517 1.235,518 1.407,519 0.854,520 1.39,521 0.328,522 0.844,523 0.581,524 0.802,525 0.412,526 0.734,527 0.788,528 1.104,529 0.83,530 0.919,531 0.852,532 0.881,533 6,534 0.029,535 2.889,536 2.063,537 2.018,538 0.882,539 0.589,540 0.514,541 0.214,542 0.204,543 4588,544 10750,545 1.898,546 53.1,547 16,548 5,550 1,551 4,555 1.663,556 1.704,557 3.06,558 1.779,560 1,564 69.851,565 1.426,566 3.217,567 4.068,568 4.15,569 4.15,570 4.15,571 2.446,572 3.551,573 4.496,574 3.216,575 813.546,576 7.773,577 9141.19,579 1,581 1,582 275.121,583 1.574,584 4.402,585 0.25,586 0.005,587 0.085,588 0.056,589 0.056,590 0.027,591 0.024,592 0.021,593 0.01,594 0.019,595 0.551,597 1,598 1.102,599 105.997,600 -0.077,601 -0.016,602 0.019,603 0.007,604 -0.217,605 0.027,606 0.196,607 0.3,608 0.219,609 0.231,610 0.297,611 0.22,612 -0.022,613 -0.12,614 -0.034,615 -0.114,616 -0.033,617 -0.078,618 -0.023,619 0.058,620 -0.039,621 -0.027,622 0.034,623 -0.034,624 -0.257,625 -0.059,626 -0.249,627 -0.084,628 -0.147,629 -0.162,630 -0.077,631 -0.273,632 -0.302,633 -0.344,634 -0.146,635 -0.351,636 0.2,637 -0.068,638 0.332,639 0.132,640 0.206,641 0.23,642 0.285,643 -0.193,644 0.163,645 -0.035,646 0.269,647 0.036,648 1.466,649 2.178,650 0.522,651 17.316,652 0.989,653 1.138,654 3.511,655 12.324,656 0.63,657 3.219,658 3.555,659 3.784,660 4.025,661 4.234,662 4.174,663 4.248,664 4.277,665 4.234,666 4.205,667 5.256,668 0.584,669 314.48,670 3.219,671 4.762,672 5.602,673 6.488,674 7.353,675 8.238,676 9.113,677 9.997,678 10.876,679 11.761,680 8.2,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,718 49,719 12,720 1,721 24,723 50,724 18,725 10,726 4,727 2,729 2,730 2,734 4,739 1,741 10,742 8,743 2,754 1,757 26,758 5,759 4,760 5,764 4,769 1,770 1,776 1,781 2,802 2,806 5,810 23,811 2,816 1,818 1,820 2,829 2,834 1,836 13.5,837 10.15,838 5.139,839 2.946,840 2.245,841 1.343,842 0.932,843 5.477,844 8.785,845 3.434,846 4.043,847 4.59,848 5.13,849 5.648,850 5.761,851 6.025,852 6.298,853 6.607,854 6.888,855 0.833,856 37,857 8.456,859 3.4,860 7.645,861 16.317,863 12.911,865 2.145,866 49.333,869 1,870 258.964,871 98.931,872 99.365,874 11,877 98.931,878 269.964,879 99.365,880 46.184,881 2.535,882 84.747,883 45.342,884 38.033,885 4.227,886 247.193,888 258.964,889 198.296,890 11,893 258.964,894 11,897 48.782,898 115.944,899 33.571,901 258.964,902 110.365,903 98.931,906 258.964,907 24.747,908 74.184,910 110.365,911 258.964,912 110.365,913 98.931,915 0.588,916 0.344,917 0.186,918 0.107,919 15,920 9,921 0.1,922 5,924 1,925 3.268,926 179.002,928 12,929 90.042,933 17.547,934 7.179,935 3.94,937 110.365,938 6.072,939 8.085,943 6.108,945 65.794,946 468.261,947 30,956 48.454,957 55.77,958 0.254,959 0.573,960 0.725,961 0.739,962 0.739,963 0.739,964 4.682,965 1,966 5.624,967 3.66,968 4.234,969 4.727,970 1.225,971 6.457,972 4.168,973 5.909,974 0.691,975 7.21,976 2.501,977 4.007,978 4.677,980 7.431,981 3.932,982 7.23,983 0.318,984 8.893,985 1.42,986 5.855,987 6.928,988 0.925,989 10.507,990 5.745,991 8.584,992 -0.288,993 10.629,994 0.66,995 6.365,996 7.609,998 12.264,999 6.245,1000 9.966,1001 -0.514,1002 12.399,1003 -0.587,1004 7.759,1005 9.411,1006 0.697,1007 14.89,1008 7.613,1009 11.368,1010 -0.657,1011 14.193,1012 -1.242,1013 8.6,1014 10.436,1016 16.993,1017 8.44,1018 12.786,1019 -0.754,1020 16.004,1021 -1.938,1022 9.824,1023 12.043,1024 0.525,1025 19.459,1026 9.643,1027 3.175,1028 -1,1029 17.829,1030 -2,1031 10.82,1032 13.247,1034 21.72,1035 10.623,1036 2.866,1037 10.985,1038 19.665,1039 -2,1040 11.98,1041 14.758,1042 0.395,1043 24.131,1044 11.764,1045 2.491,1046 8.852,1047 21.511,1048 4.162,1049 13.049,1050 16.057,1052 26.462,1053 12.816,1054 2.295,1055 7.772,1056 23.364,1057 3.878,1058 14.188,1059 17.519,1060 0.298,1061 28.856,1062 13.937,1063 2.004,1064 6.736,1065 25.225,1066 2.947,1067 15.292,1068 18.869,1070 31.22,1071 15.024,1072 1.732,1073 5.651,1074 27.091,1075 2.875,1076 16.427,1077 20.307,1078 0.224,1079 33.611,1080 16.142,1081 1.418,1082 4.361,1083 28.962,1084 2.668,1085 17.549,1086 21.684,1088 35.99,1089 17.247,1090 4795,1091 7467,1092 14.74,1093 30.853,1094 36.244,1095 36.548,1096 38.362,1097 35.93,1098 35.979,1099 45.285,1100 3.08,1101 105.193,1102 34.647,1103 5.275,1104 5.441,1105 6.254,1106 5.227,1107 5.175,1108 7.162,1109 1.72,1110 18.205,1111 5.121,1112 15.646,1113 1.51,1114 1.523,1115 1.598,1116 1.497,1117 1.499,1118 1.887,1119 0.128,1120 4.383,1121 1.444,1122 4.031,1123 4.058,1124 3.979,1125 3.966,1126 5.291,1127 3.965,1128 3.838,1129 3.89,1130 3.798,1131 3.682,1132 4.979,1133 3.704,1134 3.597,1135 3.666,1136 3.428,1137 3.478,1138 4.83,1139 3.458,1140 3.439,1141 3.512,1142 3.281,1143 3.295,1144 4.464,1145 3.282,1146 3.285,1147 3.348,1148 3.109,1149 3.012,1150 4.358,1151 3.026,1152 3.108,1153 3.218,1154 2.955,1155 2.845,1156 4.19,1157 2.854,1158 2.954,1159 3.073,1160 2.781,1161 2.632,1162 4.064,1163 2.656,1164 2.874,1165 3.009,1166 2.547,1167 2.618,1168 3.745,1169 2.57,1170 0.187,1171 0.143,1172 0.281,1173 0.173,1174 0.132,1175 4.498,1176 0.173,1177 3.441,1178 0.036,1179 6.752,1180 0.458,1181 4.158,1182 0.13,1183 3.175,1184 4.162,1185 0.86,1186 10.985,1187 3.121,1188 1.996,1189 1.975,1190 2.106,1191 2.083,1192 1.352,1193 2.089,1194 1.77,1195 1.725,1196 1.903,1197 1.957,1198 1.117,1199 1.936,1200 1.628,1201 1.564,1202 1.888,1203 1.795,1204 1.063,1205 1.836,1206 1.444,1207 1.376,1208 1.684,1209 1.636,1210 0.738,1211 1.664,1212 1.22,1213 1.152,1214 1.573,1215 1.536,1216 0.573,1217 1.547,1218 1.052,1219 0.959,1220 1.417,1221 1.379,1222 0.469,1223 1.372,1224 0.934,1225 0.804,1226 1.417,1227 1.239,1228 0.469,1229 1.308,1230 0.934,1231 0.804,1232 1.331,1233 1.239,1234 0.354,1235 1.308,1236 3.892,1238 5.22,1240 6.742,1242 8.358,1244 10.026,1246 10.427,1250 11.533,1252 0.676,1254 5.678,1256 0.754,1262 28.595,1263 69.851,1264 157.655,1265 199.346,1266 203.346,1267 203.346,1268 203.346,1269 42.591,1270 6.54,1271 87.05,1272 87.05,1273 12,1274 12.294,1275 3.7,1276 2.807,1277 44.991,1278 72,1279 76,1280 0.315,1281 182.255,1282 310.39,1283 436.462,1284 4730,1286 17.146,1287 0.745,1288 0.633,1289 17.146,1290 14.551,1291 10.829,1292 0.451,1293 0.329,1294 7.814,1295 10.473,1296 7.38,1297 6.311,1298 10.829,1299 7.906,1300 10.117,1301 0.298,1302 0.189,1303 10.117,1304 6.432,1305 7.74,1306 0.18,1307 0.092,1308 7.74,1309 3.966,1310 6.371,1311 0.116,1312 0.05,1313 6.371,1314 2.725,1315 5.264,1316 0.077,1317 0.03,1318 5.264,1319 2.064,1320 0.478,1321 67.527,1322 0.26,1323 22.112,1324 0.912,1325 116,1326 291.65,1327 124.929,1328 289.468,1329 400.01,1330 270,1331 135,1332 300.517,1333 143.651,1334 311.706,1335 449.49,1336 289,1337 4.886}
{0 CHEMBL280378,1 1.567,2 9.5,3 3.134,4 9.821,5 103.975,6 7.214,7 0.607,8 3.989,9 4.121,10 3.521,11 3.454,12 5.123,13 3.449,14 4.487,15 4.668,16 3.847,17 3.8,18 5.584,19 3.776,20 4.658,21 4.857,22 3.885,23 3.902,24 5.67,25 3.863,26 4.679,27 4.866,28 3.969,29 3.983,30 5.771,31 3.939,32 4.84,33 5.032,34 3.981,35 4.078,36 5.853,37 4.019,38 4.91,39 5.131,40 3.884,41 4.104,42 5.845,43 4.006,44 4.953,45 5.201,46 3.775,47 4.063,48 5.88,49 3.912,50 4.874,51 5.17,52 3.551,53 3.901,54 5.674,55 3.726,56 0.047,57 0.735,58 10.683,59 4.013,60 11.77,61 5.592,62 0.259,63 1.085,64 19.271,65 6.809,66 29.177,67 9.338,68 0.403,69 1.211,70 23.75,71 7.552,72 30.205,73 10.732,74 0.312,75 1.297,76 23.264,77 8.253,78 36.003,79 11.58,80 0.353,81 1.427,82 28.23,83 9.556,84 39.196,85 13.185,86 0.385,87 1.502,88 30.75,89 10.255,90 39.044,91 14.674,92 0.595,93 1.448,94 33.144,95 11.708,96 55.251,97 16.998,98 0.363,99 1.321,100 31.48,101 10.491,102 39.365,103 15.966,104 25,105 38,106 0.266,107 0.625,108 0.753,109 0.781,110 0.781,111 0.781,112 3.305,113 0.916,114 -3.55,115 -3.53,116 -3.36,119 38.8,120 2,121 1,125 2,139 4,140 2,141 3,142 1,144 1,147 1,148 2,157 2,158 2,159 2,166 5,169 1,170 8,172 3,173 3,175 1,178 4,180 1,181 2,182 6,187 1,189 2,191 1,192 1,193 7,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,207 13,212 3,215 6,218 3,221 3,226 1,229 6,231 1,233 4,236 2,237 2,239 2,241 8,243 2,245 2,248 1,249 1,254 3,260 4,262 2,263 2,265 2,270 2,273 946,274 17.74,275 17.74,276 17.74,277 17.74,278 17.74,279 15.628,280 25.34,281 10.787,282 18.444,283 13.79,284 13.79,285 13.79,286 13.79,287 13.79,288 10.606,289 32.937,290 4.979,291 14.763,292 4.048,293 1.932,294 1.174,295 1.01,296 1.01,297 1.01,298 3.984,300 1,301 1,302 1,303 519,304 3,306 73.405,307 181.51,314 1.385,315 20.778,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 56.5,327 247,328 4.537,329 3.414,330 6.8,331 4.132,332 3.183,333 4.247,334 0.86,335 11.245,336 3.023,337 4.24,338 3.084,339 6.093,340 3.831,341 2.872,342 3.885,343 0.86,344 8.871,345 2.756,346 3.838,347 2.633,348 5.469,349 3.394,350 2.44,351 3.381,352 0.68,353 7.215,354 2.327,355 3.509,356 2.602,357 5.223,358 3.086,359 2.155,360 2.846,362 6.311,363 2.004,364 3.383,365 2.396,366 5.068,367 3.019,368 2.115,369 2.626,371 6.019,372 1.901,373 3.313,374 2.142,375 4.893,376 2.89,377 1.939,378 2.61,380 5.497,381 1.835,382 2.822,383 1.687,384 4.134,385 2.35,386 1.414,387 1.952,389 3.652,390 1.32,391 2.569,392 1.546,393 3.777,394 2.232,395 1.316,396 1.588,398 2.813,399 1.195,400 2.16,401 1.351,402 3.207,403 1.926,404 1,405 1.119,407 1.806,408 0.916,409 2.118,410 1.117,411 3.153,412 1.887,413 0.941,414 1.084,415 1.714,416 0.883,417 2.113,418 0.618,419 3.085,420 1.591,421 0.618,422 0.927,423 1.372,424 0.6,425 1.639,426 0.611,427 3,428 1.321,429 0.372,430 0.455,431 0.929,432 0.351,433 1.228,434 0.192,435 2.567,436 0.898,437 -0.038,438 -0.046,439 -0.083,440 -0.035,441 1,442 -0.035,443 2.548,444 0.693,445 -0.254,446 -0.299,448 -0.478,449 -0.238,450 0.802,451 -0.159,452 2.359,453 0.5,454 -0.446,455 -0.512,457 -0.954,458 -0.421,459 12.167,460 0.468,461 0.554,462 0.021,463 35.25,464 1.356,465 18,466 0.692,467 17.25,468 0.663,469 20.397,470 0.784,471 28.633,472 0.584,473 26.151,474 1.006,475 6.999,476 0.269,477 5.619,478 0.216,479 0.148,481 0.321,485 1.024,486 1.399,487 0.847,488 1.153,489 1.21,490 0.988,491 1.115,492 1,493 0.833,494 0.976,495 0.674,496 0.888,497 1.381,498 0.994,499 0.976,500 0.887,501 1.091,502 0.879,503 0.934,504 1.072,505 0.943,506 1.118,507 0.84,508 1.038,509 1.517,510 1.093,511 1.142,512 1.103,513 1.134,514 1.081,515 1.284,516 1.042,517 1.205,518 1.124,519 1.037,520 1.151,521 0.715,522 1.04,523 1.033,524 1.179,525 0.63,526 1.186,527 0.574,528 0.955,529 0.865,530 1.028,531 0.718,532 1.009,533 5,534 0.126,535 2.444,536 2.09,537 1.488,538 0.917,539 0.763,540 0.449,541 0.281,542 0.162,543 7065,544 18774,545 2.037,546 46.9,547 2,548 8,549 2,550 1,551 4,553 6,555 1.698,556 1.902,557 3.2,558 1.735,559 1,560 1,564 76.759,565 1.567,566 3.683,567 4.441,568 4.604,569 4.604,570 4.604,571 2.662,572 4.056,573 4.67,574 3.362,575 1092.63,576 8.132,577 13466.5,579 1,581 1,582 275.121,583 1.42,584 4.628,585 0.179,586 0.01,587 0.064,588 0.054,589 0.035,590 0.022,591 0.021,592 0.014,593 0.011,594 0.007,595 0.417,596 0.17,597 1,598 1.166,599 125.476,600 -0.096,601 -0.151,602 0.041,603 -0.062,604 -0.222,605 0.008,606 0.04,607 0.1,608 0.123,609 0.058,610 0.205,611 0.091,612 -0.091,613 0.051,614 0.01,615 0.117,616 -0.13,617 0.083,618 0.094,619 0.033,620 -0.003,621 -0.078,622 0.12,623 -0.051,624 -0.24,625 -0.061,626 -0.169,627 -0.073,628 -0.18,629 -0.104,630 -0.22,631 -0.029,632 -0.241,633 -0.112,634 -0.171,635 -0.168,636 0.226,637 -0.134,638 -0.064,639 -0.151,640 0.176,641 -0.166,642 0.121,643 -0.091,644 0.111,645 -0.041,646 0.059,647 0.014,648 1.501,649 2.392,650 0.654,651 22.538,652 1.002,653 1.136,654 2.323,655 5.394,656 0.649,657 3.367,658 3.664,659 3.932,660 4.234,661 4.419,662 4.522,663 4.585,664 4.663,665 4.71,666 4.663,667 5.765,668 0.618,669 353.47,670 3.367,671 4.89,672 5.733,673 6.613,674 7.482,675 8.371,676 9.248,677 10.141,678 11.022,679 11.917,680 10.2,684 2,688 1,690 2,695 7,696 2,700 7,701 1,702 17,711 2,716 2,718 49,719 17,720 1,721 28,723 51,724 19,725 14,726 4,727 2,729 3,730 3,734 2,739 1,741 14,742 5,753 1,754 1,757 23,758 6,759 4,760 7,764 5,769 1,770 2,776 1,777 1,780 1,781 2,802 3,806 2,810 26,811 2,816 3,818 2,829 4.1,834 2,836 13.667,837 9.183,838 5.944,839 3.004,840 2.789,841 1.398,842 0.976,843 5.884,844 9.791,845 3.624,846 4.223,847 4.803,848 5.41,849 5.869,850 6.166,851 6.483,852 6.851,853 7.205,854 7.472,855 1,856 39,857 9.541,859 3.895,860 7.699,861 18.166,863 14.231,865 2.199,866 57.167,869 1,870 223.651,871 118.259,872 101.265,874 22,877 118.259,878 245.651,879 101.265,880 17.65,881 11.719,882 121.794,883 45.342,884 52.561,885 27.769,886 188.338,888 223.651,889 219.523,890 22,893 153.024,894 92.626,897 42.215,898 143.737,899 33.571,901 223.651,902 123.264,903 118.259,906 223.651,907 35.561,908 84.597,910 121.365,911 223.651,912 123.264,913 118.259,915 0.562,916 0.331,917 0.198,918 0.111,919 17,920 8,921 0.137,922 7,924 1,925 3.675,926 217.774,928 17,929 104.211,933 18.39,934 8.318,935 4.241,937 121.365,938 13.502,939 8.055,943 4.718,944 1.987,945 65.794,946 465.174,947 36.5,956 49.116,957 55.647,958 0.279,959 0.656,960 0.791,961 0.82,962 0.82,963 0.82,964 4.838,965 1.316,966 5.707,967 3.652,968 4.344,969 4.909,970 1.586,971 6.518,972 4.224,973 6.041,974 1,975 7.259,976 2.813,977 3.892,978 4.691,980 7.416,981 3.728,982 7.345,983 0.941,984 8.914,985 1.806,986 5.922,987 7.109,988 1.285,989 10.548,990 5.703,991 8.689,992 0.618,993 10.631,994 1.714,995 6.312,996 7.723,998 12.313,999 6.05,1000 10.065,1001 0.372,1002 12.39,1003 1.372,1004 7.79,1005 9.585,1006 1.035,1007 14.96,1008 7.483,1009 11.465,1010 -0.038,1011 14.177,1012 0.929,1013 8.577,1014 10.593,1016 17.1,1017 8.222,1018 12.882,1019 -0.254,1020 15.986,1021 -0.083,1022 9.839,1023 12.22,1024 0.828,1025 19.587,1026 9.442,1027 3.183,1028 -0.446,1029 17.812,1030 -0.478,1031 10.814,1032 13.429,1034 21.888,1035 10.367,1036 2.872,1037 11.245,1038 19.652,1039 -0.954,1040 11.993,1041 14.949,1042 0.656,1043 24.322,1044 11.502,1045 2.44,1046 8.871,1047 21.504,1048 4.247,1049 13.056,1050 16.262,1052 26.69,1053 12.513,1054 2.155,1055 7.215,1056 23.365,1057 3.885,1058 14.206,1059 17.732,1060 0.515,1061 29.108,1062 13.616,1063 2.115,1064 6.311,1065 25.235,1066 3.381,1067 15.31,1068 19.1,1070 31.504,1071 14.668,1072 1.939,1073 6.019,1074 27.111,1075 2.846,1076 16.451,1077 20.548,1078 0.401,1079 33.92,1080 15.761,1081 1.414,1082 5.497,1083 28.993,1084 2.626,1085 17.576,1086 21.945,1088 36.328,1089 16.833,1090 7008,1091 11556,1092 18.493,1093 31.79,1094 41.195,1095 41.26,1096 42.663,1097 40.775,1098 40.729,1099 53.439,1100 4.8,1101 114.892,1102 38.225,1103 5.32,1104 5.414,1105 6.566,1106 5.202,1107 5.183,1108 7.247,1109 1.72,1110 18.19,1111 5.023,1112 13.203,1113 1.471,1114 1.474,1115 1.524,1116 1.456,1117 1.455,1118 1.909,1119 0.171,1120 4.103,1121 1.365,1122 4.061,1123 4.094,1124 4.021,1125 3.951,1126 5.291,1127 3.963,1128 3.879,1129 3.934,1130 3.836,1131 3.735,1132 4.98,1133 3.75,1134 3.732,1135 3.769,1136 3.671,1137 3.597,1138 4.948,1139 3.613,1140 3.495,1141 3.559,1142 3.319,1143 3.274,1144 4.692,1145 3.27,1146 3.443,1147 3.519,1148 3.256,1149 3.25,1150 4.54,1151 3.237,1152 3.175,1153 3.265,1154 3.048,1155 2.976,1156 4.451,1157 2.987,1158 2.995,1159 3.112,1160 2.846,1161 2.694,1162 4.201,1163 2.714,1164 2.865,1165 2.913,1166 2.719,1167 2.686,1168 3.764,1169 2.696,1170 0.162,1171 0.122,1172 0.243,1173 0.148,1174 0.114,1175 4.537,1176 0.152,1177 3.414,1178 0.031,1179 6.8,1180 0.402,1181 4.132,1182 0.108,1183 3.183,1184 4.247,1185 0.86,1186 11.245,1187 3.023,1188 1.949,1189 1.928,1190 2.03,1191 2.068,1192 1.228,1193 2.055,1194 1.749,1195 1.706,1196 1.842,1197 1.948,1198 0.964,1199 1.916,1200 1.48,1201 1.438,1202 1.8,1203 1.728,1204 0.938,1205 1.752,1206 1.475,1207 1.405,1208 1.754,1209 1.681,1210 0.878,1211 1.711,1212 1.443,1213 1.364,1214 1.67,1215 1.606,1216 0.694,1217 1.622,1218 1.392,1219 1.33,1220 1.54,1221 1.593,1222 0.584,1223 1.596,1224 1.071,1225 0.992,1226 1.32,1227 1.386,1228 0.321,1229 1.375,1230 0.877,1231 0.784,1232 1.213,1233 1.249,1234 0.161,1235 1.254,1236 4.043,1238 5.342,1239 2.398,1240 6.838,1241 4.443,1242 8.439,1243 6.293,1244 10.099,1246 3.913,1250 11.549,1252 1.658,1254 11.784,1262 30.278,1263 76.759,1264 180.45,1265 217.611,1266 225.611,1267 225.611,1268 225.611,1269 38.569,1270 7.002,1271 101.21,1272 101.21,1273 17,1274 12.445,1275 4.17,1276 3.248,1277 43.996,1278 91,1279 94,1280 0.245,1281 189.39,1282 318.94,1283 453.87,1284 8695,1286 18.518,1287 0.712,1288 0.576,1289 18.518,1290 14.976,1291 12.618,1292 0.451,1293 0.305,1294 8.404,1295 12.018,1296 8.181,1297 6.829,1298 12.618,1299 8.547,1300 10.948,1301 0.288,1302 0.15,1303 10.948,1304 5.712,1305 8.869,1306 0.177,1307 0.077,1308 8.869,1309 3.873,1310 7.825,1311 0.115,1312 0.041,1313 7.825,1314 2.798,1315 5.911,1316 0.072,1317 0.022,1318 5.911,1319 1.801,1320 0.373,1321 79.537,1322 0.233,1323 24.718,1324 0.704,1325 132,1326 391.031,1327 147.551,1328 375.674,1329 523.01,1330 354,1331 154,1332 397.402,1333 169.248,1334 398.623,1335 583.53,1336 376,1337 4.308}
{0 CHEMBL281131,1 1.563,2 9.458,3 2.348,4 5.515,5 96.166,6 7.373,7 0.654,8 3.889,9 4.03,10 3.437,11 3.369,12 5.059,13 3.366,14 4.371,15 4.564,16 3.791,17 3.734,18 5.491,19 3.711,20 4.516,21 4.688,22 3.915,23 3.891,24 5.613,25 3.861,26 4.705,27 4.913,28 3.868,29 3.934,30 5.818,31 3.861,32 4.825,33 5.096,34 3.585,35 3.887,36 5.763,37 3.765,38 4.654,39 4.943,40 3.465,41 3.764,42 5.521,43 3.613,44 4.507,45 4.78,46 3.468,47 3.647,48 5.425,49 3.538,50 4.385,51 4.622,52 3.379,53 3.564,54 5.37,55 3.462,56 0.057,57 0.696,58 9.307,59 3.369,60 11.364,61 4.797,62 0.265,63 1.031,64 16.751,65 5.924,66 25.878,67 8.296,68 0.16,69 1.227,70 18.46,71 6.415,72 14.685,73 9.408,74 0.314,75 1.358,76 23.586,77 7.868,78 37.996,79 11.507,80 0.497,81 1.324,82 29.585,83 7.805,84 53.885,85 12.307,86 0.294,87 1.104,88 24.845,89 8.404,90 36.114,91 12.742,92 0.262,93 0.967,94 21.26,95 6.865,96 30.538,97 10.46,98 0.211,99 0.897,100 18.001,101 5.949,102 24.869,103 8.771,104 27,105 37,106 0.271,107 0.647,108 0.801,109 0.843,110 0.867,111 0.867,112 3.229,113 0.872,114 -3.89,115 -3.85,116 -3.65,119 38.6,120 2,124 1,125 1,139 3,140 4,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 7,169 2,170 5,172 3,173 3,175 3,178 6,180 1,182 5,185 1,187 5,189 2,191 1,192 1,193 7,195 3,196 4,197 1,198 6,200 2,201 2,204 3,205 1,207 1,212 1,215 4,218 1,221 2,224 2,225 1,226 2,228 1,229 6,231 2,233 1,234 5,241 7,246 3,250 1,251 1,253 1,254 2,256 1,259 2,260 6,262 1,263 1,265 3,270 3,273 754,274 16.008,275 16.008,276 16.008,277 16.008,278 16.008,279 13.794,280 20.033,281 9.186,282 16.465,283 12.711,284 12.711,285 12.711,286 12.711,287 12.711,288 9.384,289 27.014,290 4.203,291 13.366,292 3.896,293 1.726,294 0.841,295 0.597,296 0.461,297 0.461,298 3.906,300 1,301 1,302 1,303 480,304 2.739,307 197.083,311 101.914,314 1.503,315 20.068,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52,327 227,328 4.654,329 3.321,330 6.835,331 4.186,332 3.213,333 4.616,334 0.86,335 11.231,336 3.13,337 4.346,338 3.21,339 6.448,340 3.955,341 2.989,342 4.003,343 0.657,344 9.912,345 2.887,346 3.902,347 2.729,348 5.798,349 3.492,350 2.535,351 3.408,353 7.847,354 2.426,355 3.454,356 2.376,357 5.097,358 2.99,359 2.055,360 2.861,362 5.917,363 1.914,364 3.388,365 2.214,366 5.015,367 2.928,368 1.985,369 2.711,371 5.795,372 1.873,373 3.295,374 2.054,375 5.006,376 2.903,377 1.973,378 2.545,380 5.562,381 1.822,382 2.923,383 1.772,384 4.272,385 2.51,386 1.54,387 2.093,389 3.773,390 1.491,391 2.705,392 1.523,393 4.061,394 2.301,395 1.343,396 1.776,398 3.418,399 1.283,400 2.152,401 1.281,402 3.377,403 1.887,404 0.957,405 1.108,407 2.099,408 0.885,409 1.706,410 0.936,411 3.013,412 1.427,413 0.535,414 0.603,415 1.018,416 0.473,417 1.393,418 0.483,419 2.824,420 1.051,421 0.126,422 0.151,423 0.248,424 0.116,425 1.196,426 0.119,427 2.726,428 0.838,429 -0.11,430 -0.136,431 -0.285,432 -0.104,433 1.051,434 -0.014,435 2.554,436 0.69,437 -0.272,438 -0.337,439 -0.654,440 -0.26,441 0.854,442 -0.256,443 2.346,444 0.45,445 -0.474,446 -0.592,448 -1.134,449 -0.438,450 0.701,451 -0.308,452 2.12,453 0.327,454 -0.608,455 -0.745,457 -1.279,458 -0.562,459 11.233,460 0.468,461 0.665,462 0.028,463 34,464 1.417,465 18,466 0.75,467 16,468 0.667,469 17.882,470 0.745,471 25.967,472 0.59,473 24.346,474 1.014,475 6.857,476 0.286,477 4.65,478 0.194,479 0.205,481 0.401,485 1.081,486 1.334,487 0.843,488 1.053,489 1.254,490 0.923,491 0.93,492 0.845,493 0.707,494 0.789,495 0.597,496 0.739,497 0.957,498 1.422,499 0.921,500 1.194,501 0.839,502 1.073,503 0.941,504 1.256,505 1.141,506 1.34,507 0.719,508 1.289,509 1.512,510 0.865,511 1.303,512 0.912,513 1.412,514 1.046,515 0.541,516 0.801,517 0.867,518 0.979,519 0.705,520 0.975,521 0.774,522 0.867,523 0.804,524 0.883,525 0.777,526 0.855,527 1.089,528 1.096,529 1.085,530 1.157,531 1.021,532 1.138,533 5,534 0.128,535 3.333,536 2.438,537 1.742,538 0.757,539 0.427,540 0.333,541 0.345,542 0.141,543 5974,544 16176,545 2.015,546 45.5,547 6,548 8,550 1,551 5,555 1.669,556 1.846,557 3.196,558 2.661,559 1,560 1,562 1,564 68.78,565 1.563,566 3.734,567 4.618,568 4.863,569 4.999,570 4.999,571 2.69,572 4.22,573 4.561,574 3.368,575 929.52,576 7.87,577 10805.6,579 1,581 1,582 240.215,583 1.528,584 4.493,585 0.192,586 0.011,587 0.09,588 0.059,589 0.048,590 0.029,591 0.018,592 0.013,593 0.016,594 0.007,595 0.484,596 0.17,597 1,598 0.854,599 113.354,600 -0.15,601 -0.088,602 0.022,603 0.012,604 -0.268,605 0.047,606 0.138,607 0.259,608 0.227,609 0.244,610 0.242,611 0.24,612 -0.023,613 -0.266,614 -0.026,615 -0.149,616 -0.046,617 -0.097,618 0.058,619 -0.173,620 -0.208,621 -0.347,622 0.166,623 -0.332,624 -0.359,625 0.088,626 -0.292,627 0.008,628 -0.354,629 -0.108,630 0.143,631 0.082,632 0.11,633 0.033,634 0.092,635 0.061,636 0.086,637 0.031,638 0.182,639 0.126,640 0.073,641 0.166,642 -0.09,643 -0.127,644 -0.122,645 -0.145,646 -0.123,647 -0.143,648 1.539,649 1.992,650 0.667,651 18.201,652 1.003,653 1.139,654 2.665,655 7.1,656 0.655,657 3.296,658 3.638,659 3.932,660 4.19,661 4.357,662 4.394,663 4.419,664 4.489,665 4.595,666 4.615,667 5.716,668 0.626,669 324.43,670 3.296,671 4.844,672 5.707,673 6.597,674 7.473,675 8.366,676 9.246,677 10.141,678 11.023,679 11.918,680 13.6,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 1,718 44,719 17,720 1,721 26,723 46,724 17,725 13,726 3,727 3,729 3,730 4,734 2,741 13,742 4,753 1,754 1,757 20,758 7,759 5,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 3,810 24,811 2,816 1,817 1,818 1,829 2.3,834 1,836 13,837 8.767,838 5.333,839 2.351,840 3.441,841 1.485,842 0.995,843 4.513,844 10.534,845 3.57,846 4.248,847 4.887,848 5.491,849 6.037,850 6.304,851 6.593,852 6.949,853 7.338,854 7.459,855 1,856 41,857 8.783,859 3.631,860 7.729,861 16.637,863 13.188,865 2.229,866 53.5,869 1,870 176.567,871 94.188,872 134.162,874 11,877 94.188,878 187.566,879 134.162,880 28.533,881 2.106,882 94.223,883 80.138,884 41.892,885 4.227,886 164.795,888 176.567,889 228.349,890 11,893 178.282,894 11,897 30.703,898 127.564,899 68.367,901 176.567,902 145.162,903 94.188,906 176.567,907 28.178,908 66.01,909 18.011,910 127.151,911 176.567,912 145.162,913 94.188,915 0.587,916 0.36,917 0.199,918 0.099,919 18,920 9,921 0.087,922 4,923 1,924 1.125,925 3.495,926 195.841,927 0.125,928 16,929 108.039,933 16.43,934 6.593,935 3.143,936 1.245,937 145.162,938 7.701,939 12.519,943 5.333,945 83.805,946 415.916,947 34.5,956 44.123,957 50.106,958 0.286,959 0.684,960 0.846,961 0.891,962 0.916,963 0.916,964 4.806,965 1.343,966 5.714,967 3.773,968 4.317,969 4.934,970 1.207,971 6.561,972 4.226,973 6.051,974 0.957,975 7.303,976 3.418,977 4.007,978 4.913,980 7.554,981 3.898,982 7.388,983 0.535,984 8.993,985 2.099,986 5.948,987 7.255,988 0.903,989 10.668,990 5.789,991 8.763,992 0.126,993 10.741,994 1.018,995 6.431,996 8.03,998 12.476,999 6.261,1000 10.169,1001 -0.11,1002 12.526,1003 0.248,1004 7.873,1005 9.879,1006 0.678,1007 15.126,1008 7.663,1009 11.597,1010 -0.272,1011 14.337,1012 -0.285,1013 8.721,1014 11.035,1016 17.273,1017 8.498,1018 13.042,1019 -0.474,1020 16.166,1021 -0.654,1022 9.974,1023 12.685,1024 0.512,1025 19.762,1026 9.718,1027 3.213,1028 -0.608,1029 18.011,1030 -1.134,1031 10.988,1032 14.028,1034 22.052,1035 10.714,1036 2.989,1037 11.231,1038 19.867,1039 -1.279,1040 12.169,1041 15.595,1042 0.387,1043 24.483,1044 11.867,1045 2.535,1046 9.912,1047 21.733,1048 4.616,1049 13.257,1050 17.028,1052 26.835,1053 12.932,1054 2.055,1055 7.847,1056 23.606,1057 4.003,1058 14.413,1059 18.562,1060 0.293,1061 29.246,1062 14.062,1063 1.985,1064 5.917,1065 25.486,1066 3.408,1067 15.534,1068 20.039,1070 31.626,1071 15.158,1072 1.973,1073 5.795,1074 27.37,1075 2.861,1076 16.683,1077 21.562,1078 0.221,1079 34.031,1080 16.282,1081 1.54,1082 5.562,1083 29.259,1084 2.711,1085 17.819,1086 23.061,1088 36.425,1089 17.393,1090 5888,1091 9817,1092 16.819,1093 28.819,1094 38.646,1095 39.262,1096 40.92,1097 38.442,1098 38.502,1099 51.749,1100 3.035,1101 113.639,1102 36.601,1103 5.497,1104 5.321,1105 6.431,1106 5.261,1107 5.213,1108 7.616,1109 1.72,1110 18.468,1111 5.13,1112 13.646,1113 1.486,1114 1.51,1115 1.574,1116 1.479,1117 1.481,1118 1.99,1119 0.117,1120 4.371,1121 1.408,1122 4.074,1123 4.114,1124 4.049,1125 3.963,1126 5.321,1127 3.978,1128 3.928,1129 3.956,1130 3.878,1131 3.846,1132 4.982,1133 3.85,1134 3.547,1135 3.616,1136 3.477,1137 3.36,1138 4.875,1139 3.383,1140 3.292,1141 3.354,1142 3.117,1143 3.062,1144 4.798,1145 3.059,1146 3.214,1147 3.31,1148 3.065,1149 3,1150 4.403,1151 3.002,1152 3.141,1153 3.236,1154 3.038,1155 2.921,1156 4.224,1157 2.925,1158 3.092,1159 3.194,1160 2.866,1161 2.826,1162 4.047,1163 2.836,1164 3.023,1165 3.152,1166 2.804,1167 2.704,1168 3.961,1169 2.721,1170 0.179,1171 0.128,1172 0.263,1173 0.161,1174 0.124,1175 4.654,1176 0.178,1177 3.321,1178 0.033,1179 6.835,1180 0.432,1181 4.186,1182 0.12,1183 3.213,1184 4.616,1185 0.86,1186 11.231,1187 3.13,1188 1.999,1189 1.968,1190 2.067,1191 2.134,1192 1.233,1193 2.113,1194 1.902,1195 1.878,1196 2.005,1197 2.01,1198 1.128,1199 2.01,1200 1.48,1201 1.418,1202 1.633,1203 1.708,1204 0.741,1205 1.696,1206 1.253,1207 1.186,1208 1.599,1209 1.544,1210 0.619,1211 1.562,1212 1.197,1213 1.107,1214 1.535,1215 1.46,1216 0.559,1217 1.487,1218 1.133,1219 1.045,1220 1.509,1221 1.376,1222 0.548,1223 1.427,1224 1.032,1225 0.937,1226 1.28,1227 1.363,1228 0.205,1229 1.345,1230 0.946,1231 0.826,1232 1.257,1233 1.329,1234 0.067,1235 1.331,1236 3.97,1238 5.303,1240 6.847,1242 8.493,1244 10.19,1246 5.669,1250 11.62,1252 0.583,1253 3.414,1254 5.415,1262 27.531,1263 68.78,1264 164.287,1265 203.195,1266 213.95,1267 219.95,1268 219.95,1269 34.052,1270 7.093,1271 111.97,1272 111.97,1273 18,1274 12.446,1275 4.17,1276 3.248,1277 39.284,1278 83,1279 74,1280 0.236,1281 173.003,1282 286.55,1283 413.887,1284 10892,1286 17.267,1287 0.719,1288 0.58,1289 17.267,1290 13.921,1291 11.507,1292 0.443,1293 0.291,1294 7.428,1295 11.025,1296 7.131,1297 6.002,1298 11.507,1299 7.556,1300 10.406,1301 0.281,1302 0.151,1303 10.406,1304 5.58,1305 8.906,1306 0.178,1307 0.081,1308 8.906,1309 4.045,1310 7.725,1311 0.119,1312 0.042,1313 7.725,1314 2.732,1315 5.608,1316 0.073,1317 0.022,1318 5.608,1319 1.667,1320 0.366,1321 72.461,1322 0.244,1323 23.192,1324 0.659,1325 126,1326 359.628,1327 138.759,1328 354.046,1329 493.69,1330 332,1331 150,1332 375.024,1333 162.87,1334 384.656,1335 560.87,1336 359,1337 6.495}
{0 CHEMBL281648,1 1.84,2 10.37,3 2.804,4 7.865,5 97.099,6 8.6,7 0.586,8 3.92,9 4.047,10 3.572,11 3.363,12 5.193,13 3.405,14 4.435,15 4.603,16 4.03,17 3.726,18 6.14,19 3.763,20 4.549,21 4.707,22 4.063,23 3.88,24 5.87,25 3.901,26 4.751,27 4.946,28 4.028,29 3.904,30 6.094,31 3.894,32 4.814,33 5.073,34 3.828,35 3.833,36 6.017,37 3.782,38 4.66,39 4.913,40 3.757,41 3.715,42 5.91,43 3.651,44 4.543,45 4.779,46 3.711,47 3.624,48 5.819,49 3.609,50 4.496,51 4.716,52 3.692,53 3.549,54 5.854,55 3.558,56 0.237,57 0.896,58 7.072,59 3.45,60 34.525,61 3.945,62 1,63 1.651,64 15.995,65 6.11,66 151.404,67 7.058,68 0.512,69 1.548,70 15.079,71 6.563,72 43.641,73 7.988,74 0.879,75 1.632,76 21.919,77 8.214,78 101.214,79 9.686,80 1.088,81 1.433,82 28.157,83 7.15,84 112.947,85 10.302,86 1.095,87 1.193,88 25.307,89 7.91,90 122.448,91 10.797,92 0.824,93 1.29,94 21.637,95 6.861,96 104.454,97 8.371,98 0.872,99 1.282,100 20.471,101 6.572,102 112.66,103 7.274,104 54,105 43,106 0.319,107 0.692,108 0.832,109 0.867,110 0.867,111 0.867,112 3.34,113 0.814,114 -4.25,115 -4.19,116 -3.96,119 38.6,120 1,124 1,125 1,131 1,139 3,140 4,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 6,169 2,170 5,172 3,173 3,175 3,178 5,180 1,182 5,185 1,187 4,189 1,191 1,192 1,193 6,195 3,196 4,197 1,198 6,200 2,201 1,204 3,205 1,207 1,212 1,215 3,218 1,221 2,224 2,225 1,226 2,228 1,229 5,231 2,233 1,234 4,241 5,246 3,250 1,251 1,253 1,254 2,256 1,259 2,260 4,262 1,263 1,265 2,270 2,273 1028,274 17.427,275 17.427,276 17.427,277 17.427,278 17.427,279 15.332,280 23.894,281 9.805,282 18.139,283 14.201,284 14.201,285 14.201,286 14.201,287 14.201,288 10.946,289 33.448,290 4.522,291 15.346,292 3.619,293 1.469,294 0.66,295 0.461,296 0.461,297 0.461,298 4.013,300 1,301 1,302 1,303 586,304 3.674,307 232.67,311 121.277,314 1.542,315 47.285,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 62.5,327 280,328 4.654,329 4.461,330 7.119,331 4.199,332 3.329,333 4.616,334 3.825,335 11.707,336 3.13,337 4.485,338 3.316,339 6.835,340 4.181,341 3.212,342 4.003,343 0.86,344 11.231,345 2.941,346 4.074,347 3.096,348 6.131,349 3.724,350 2.798,351 3.416,352 0.657,353 8.994,354 2.542,355 3.898,356 2.728,357 5.796,358 3.486,359 2.53,360 3.348,362 7.842,363 2.412,364 3.454,365 2.234,366 5.097,367 2.989,368 2.055,369 2.861,371 5.917,372 1.914,373 3.388,374 2.092,375 5.009,376 2.903,377 1.983,378 2.711,380 5.795,381 1.822,382 2.942,383 2.047,384 4.636,385 2.564,386 1.646,387 2.073,389 4.792,390 1.519,391 2.927,392 1.874,393 4.399,394 2.523,395 1.596,396 2.049,398 4.244,399 1.422,400 2.703,401 1.585,402 4.22,403 2.296,404 1.342,405 1.774,407 3.507,408 1.278,409 2.05,410 1.054,411 3.349,412 1.742,413 0.796,414 0.969,415 1.873,416 0.75,417 1.72,418 0.952,419 3.041,420 1.429,421 0.55,422 0.62,423 0.97,424 0.478,425 1.353,426 0.51,427 2.841,428 0.978,429 0.054,430 0.067,431 0.122,432 0.05,433 1.188,434 0.51,435 2.814,436 0.836,437 -0.116,438 -0.142,439 -0.299,440 -0.11,441 0.939,442 0.341,443 2.652,444 0.52,445 -0.399,446 -0.5,448 -0.881,449 -0.363,450 0.787,451 0.111,452 2.521,453 0.413,454 -0.506,455 -0.613,457 -1.195,458 -0.462,459 12.09,460 0.448,461 0.97,462 0.036,463 36.25,464 1.343,465 18,466 0.667,467 18.25,468 0.676,469 20.912,470 0.775,471 30.51,472 0.693,473 30.334,474 1.123,475 7.48,476 0.277,477 5.221,478 0.193,479 0.22,480 0.041,481 0.372,482 3,485 0.731,486 1.083,487 0.679,488 1.052,489 0.718,490 0.881,491 0.546,492 0.676,493 0.583,494 0.784,495 0.368,496 0.73,497 0.706,498 1.14,499 0.784,500 1.21,501 0.554,502 1.077,503 0.966,504 1.129,505 1.119,506 1.306,507 0.896,508 1.302,509 0.841,510 0.714,511 1.14,512 0.893,513 0.761,514 1.054,515 0.564,516 0.733,517 0.839,518 0.935,519 0.658,520 0.991,521 1.089,522 1.025,523 0.997,524 0.964,525 1.088,526 0.945,527 1.416,528 1.23,529 1.151,530 1.056,531 1.422,532 1.017,533 7.5,534 0.26,535 4,536 2.563,537 2.102,538 1.167,539 0.549,540 0.474,541 0.411,542 0.266,543 8153,544 31625,545 1.963,546 38.6,547 3,548 8,550 1,551 5,555 1.702,556 1.77,557 3.331,558 2.621,559 1,560 1,564 80.977,565 1.84,566 3.991,567 4.8,568 4.999,569 4.999,570 4.999,571 2.745,572 4.357,573 4.731,574 3.507,575 1230.88,576 8.214,577 15753.5,579 1,581 1,582 240.215,583 1.74,584 4.637,585 0.259,586 0.013,587 0.093,588 0.056,589 0.051,590 0.036,591 0.018,592 0.016,593 0.014,594 0.01,595 0.566,597 1,598 0.959,599 133.373,600 -0.121,601 -0.096,602 -0.006,603 0.009,604 -0.167,605 0.056,606 0.364,607 0.363,608 0.265,609 0.251,610 0.476,611 0.22,612 -0.061,613 -0.214,614 -0.034,615 -0.173,616 0.005,617 -0.111,618 -0.112,619 -0.16,620 -0.242,621 -0.306,622 -0.079,623 -0.339,624 -0.086,625 0.051,626 -0.166,627 -0.004,628 -0.079,629 -0.076,630 0.233,631 0.05,632 0.17,633 0.054,634 0.09,635 0.078,636 -0.125,637 -0.074,638 0.008,639 0.048,640 -0.116,641 0.085,642 -0.246,643 -0.134,644 -0.123,645 -0.024,646 -0.216,647 -0.02,648 5.7,649 4.966,650 0.593,651 22.082,652 1.038,653 1.162,654 3.019,655 9.114,656 0.651,657 3.401,658 3.784,659 4.025,660 4.263,661 4.477,662 4.575,663 4.595,664 4.585,665 4.691,666 4.762,667 6.282,668 0.652,669 378.4,670 3.401,671 4.977,672 5.832,673 6.735,674 7.607,675 8.51,676 9.389,677 10.29,678 11.172,679 12.073,680 13.6,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 1,718 44,719 17,720 1,721 29,723 46,724 17,725 13,726 3,727 3,729 3,730 4,734 2,738 1,741 13,742 4,753 1,754 1,755 3,757 17,758 10,759 5,760 10,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 2,808 3,810 27,811 2,816 1,817 1,818 1,822 1,828 3,829 2.3,834 1,836 15.25,837 8.445,838 5.806,839 2.264,840 3.441,841 1.469,842 0.996,843 5.092,844 10.772,845 3.651,846 4.331,847 4.942,848 5.539,849 6.111,850 6.411,851 6.694,852 6.979,853 7.365,854 7.524,855 0.857,856 46,857 10.365,859 4.851,860 8.343,861 17.885,863 14.278,865 2.843,866 76.75,869 1,870 141.253,871 93.122,872 134.162,874 11,875 44.88,877 93.122,878 152.253,879 179.042,880 19.708,881 2.106,882 94.223,883 80.138,884 86.773,885 4.227,886 129.482,887 7.76,888 141.253,889 227.284,890 55.88,893 142.969,894 55.88,897 29.637,898 127.564,899 68.367,901 186.134,902 145.162,903 93.122,906 149.013,907 28.178,908 57.184,909 18.011,910 172.031,911 141.253,912 190.042,913 93.122,915 0.601,916 0.349,917 0.18,918 0.095,919 21,920 11,921 0.087,922 4,923 1,924 1.125,925 3.684,926 230.753,927 0.125,928 16,929 123.627,933 19.147,934 7.18,935 3.894,936 0.914,937 190.042,938 4.804,939 12.173,943 1.441,945 83.805,946 424.417,947 37.5,956 45.661,957 51.125,958 0.337,959 0.731,960 0.879,961 0.916,962 0.916,963 0.916,964 4.922,965 1.596,966 5.889,967 4.792,968 4.466,969 5.017,970 3.143,971 6.772,972 4.325,973 6.189,974 1.342,975 7.51,976 4.244,977 4.369,978 5.075,979 3.903,980 7.984,981 4.097,982 7.545,983 0.796,984 9.239,985 3.507,986 6.188,987 7.33,988 5.427,989 11.005,990 5.912,991 8.936,992 0.55,993 11.029,994 1.873,995 6.836,996 8.132,997 6.69,998 12.973,999 6.431,1000 10.354,1001 0.054,1002 12.857,1003 0.97,1004 8.226,1005 9.943,1006 8.058,1007 15.596,1008 7.8,1009 11.792,1010 -0.116,1011 14.712,1012 0.122,1013 9.183,1014 11.099,1015 9.388,1016 17.851,1017 8.648,1018 13.245,1019 -0.399,1020 16.586,1021 -0.299,1022 10.428,1023 12.731,1024 10.734,1025 20.35,1026 9.852,1027 3.329,1028 -0.506,1029 18.475,1030 -0.881,1031 11.514,1032 14.067,1033 12.074,1034 22.716,1035 10.847,1036 3.212,1037 11.707,1038 20.375,1039 -1.195,1040 12.711,1041 15.624,1042 13.416,1043 25.175,1044 11.99,1045 2.798,1046 11.231,1047 22.284,1048 4.616,1049 13.851,1050 17.051,1051 14.758,1052 27.586,1053 13.051,1054 2.53,1055 8.994,1056 24.2,1057 4.003,1058 15.034,1059 18.579,1060 16.1,1061 30.033,1062 14.173,1063 2.055,1064 7.842,1065 26.121,1066 3.416,1067 16.198,1068 20.052,1069 17.441,1070 32.463,1071 15.265,1072 1.983,1073 5.917,1074 28.048,1075 3.348,1076 17.379,1077 21.571,1078 18.783,1079 34.907,1080 16.383,1081 1.646,1082 5.795,1083 29.978,1084 2.861,1085 18.554,1086 23.068,1087 20.124,1088 37.345,1089 17.49,1090 8095,1091 16109,1092 18.205,1093 28.631,1094 44.261,1095 44.052,1096 46.024,1097 43.933,1098 43.781,1099 57.012,1100 10.685,1101 133.986,1102 40.513,1103 5.499,1104 6.461,1105 6.66,1106 5.274,1107 5.329,1108 7.616,1109 5.335,1110 18.944,1111 5.13,1112 17.696,1113 1.526,1114 1.519,1115 1.587,1116 1.515,1117 1.51,1118 1.966,1119 0.368,1120 4.62,1121 1.397,1122 4.075,1123 4.114,1124 4.051,1125 3.962,1126 8.513,1127 3.978,1128 3.94,1129 3.965,1130 3.91,1131 3.845,1132 7.999,1133 3.854,1134 3.556,1135 3.624,1136 3.496,1137 3.364,1138 7.999,1139 3.388,1140 3.394,1141 3.436,1142 3.384,1143 3.093,1144 5.321,1145 3.144,1146 3.219,1147 3.311,1148 3.06,1149 2.985,1150 4.982,1151 2.987,1152 3.151,1153 3.245,1154 3.033,1155 2.875,1156 4.859,1157 2.899,1158 3.086,1159 3.17,1160 2.94,1161 2.8,1162 4.795,1163 2.814,1164 3.023,1165 3.152,1166 2.809,1167 2.705,1168 4.353,1169 2.722,1170 0.16,1171 0.154,1172 0.245,1173 0.145,1174 0.115,1175 4.654,1176 0.159,1177 4.461,1178 0.132,1179 7.119,1180 0.404,1181 4.199,1182 0.108,1183 3.329,1184 4.616,1185 3.825,1186 11.707,1187 3.13,1188 1.998,1189 1.968,1190 2.063,1191 2.133,1192 1.23,1193 2.112,1194 1.893,1195 1.872,1196 1.971,1197 2.012,1198 1.096,1199 1.997,1200 1.482,1201 1.421,1202 1.631,1203 1.713,1204 0.741,1205 1.697,1206 1.239,1207 1.187,1208 1.572,1209 1.567,1210 0.577,1211 1.55,1212 1.192,1213 1.101,1214 1.534,1215 1.474,1216 0.559,1217 1.493,1218 1.058,1219 0.974,1220 1.285,1221 1.383,1222 0.227,1223 1.353,1224 0.968,1225 0.901,1226 1.258,1227 1.337,1228 0.198,1229 1.338,1230 0.946,1231 0.826,1232 1.138,1233 1.293,1234 0.085,1235 1.242,1236 4.078,1238 5.442,1240 7,1242 8.649,1244 10.344,1246 3.194,1248 38.897,1250 11.479,1252 0.205,1253 2.958,1254 5.135,1258 -4.45,1262 28.681,1263 80.977,1264 175.586,1265 211.195,1266 219.95,1267 219.95,1268 219.95,1269 62.084,1270 7.331,1271 111.97,1272 111.97,1273 18,1274 12.598,1275 4.17,1276 3.248,1277 46.991,1278 104,1279 93,1280 0.226,1281 176.597,1282 304.76,1283 422.658,1284 14651,1285 6.8,1286 19.767,1287 0.732,1288 0.539,1289 17.267,1290 14.555,1291 12.702,1292 0.438,1293 0.271,1294 7.664,1295 11.921,1296 7.484,1297 6.202,1298 11.49,1299 7.867,1300 12.47,1301 0.29,1302 0.136,1303 10.512,1304 5.84,1305 9.737,1306 0.177,1307 0.075,1308 8.774,1309 4.131,1310 8.129,1311 0.116,1312 0.039,1313 7.578,1314 2.724,1315 6.114,1316 0.07,1317 0.02,1318 5.672,1319 1.709,1320 0.353,1321 81.878,1322 0.234,1323 25.7,1324 0.624,1325 144,1326 635.962,1327 173.776,1328 533.983,1329 700.67,1330 494,1331 170,1332 498.024,1333 193.18,1334 487.221,1335 731.17,1336 454,1337 7.699}
{0 CHEMBL281803,1 1.613,2 10.115,3 2.199,4 4.836,5 101.823,6 7.385,7 0.607,8 3.978,9 4.111,10 3.528,11 3.418,12 5.152,13 3.425,14 4.474,15 4.671,16 3.875,17 3.773,18 5.586,19 3.77,20 4.584,21 4.737,22 4.008,23 3.966,24 5.687,25 3.948,26 4.816,27 5.016,28 4.009,29 4.064,30 5.908,31 3.993,32 4.963,33 5.221,34 3.837,35 4.053,36 5.921,37 3.947,38 4.859,39 5.118,40 3.689,41 3.953,42 5.767,43 3.825,44 4.781,45 5.052,46 3.65,47 3.836,48 5.681,49 3.723,50 4.642,51 4.903,52 3.564,53 3.713,54 5.624,55 3.615,56 0.069,57 0.737,58 10.221,59 3.694,60 12.08,61 5.229,62 0.392,63 1.081,64 19.275,65 6.112,66 31.761,67 8.549,68 0.232,69 1.301,70 19.625,71 6.902,72 15.97,73 9.857,74 0.391,75 1.494,76 26.305,77 9.293,78 38.697,79 13.397,80 0.64,81 1.521,82 33.53,83 9.209,84 56.875,85 14.495,86 0.479,87 1.324,88 30.197,89 9.631,90 44.23,91 14.288,92 0.454,93 1.17,94 28.801,95 8.843,96 42.69,97 13.354,98 0.416,99 1.061,100 24.518,101 7.165,102 41.464,103 10.976,104 41,105 40,106 0.275,107 0.636,108 0.789,109 0.827,110 0.841,111 0.863,112 3.304,113 0.862,114 -3.38,115 -3.37,116 -3.22,119 37.5,120 1,124 3,125 1,139 3,140 3,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 4,169 2,170 9,172 3,173 3,175 1,178 4,180 1,181 1,182 8,187 1,189 1,191 1,192 3,193 8,195 3,196 3,197 1,198 3,200 2,201 1,204 3,205 1,206 1,207 1,212 1,215 2,218 1,220 2,221 3,223 1,224 1,226 2,229 4,231 2,233 1,234 4,241 3,245 1,246 5,248 1,249 1,251 1,254 2,256 1,259 2,260 2,262 1,263 1,265 1,270 1,273 924,274 17.326,275 17.326,276 17.326,277 17.326,278 17.326,279 15.217,280 24.267,281 9.882,282 18.008,283 13.638,284 13.638,285 13.638,286 13.638,287 13.638,288 10.344,289 33.934,290 4.481,291 14.553,292 3.972,293 1.85,294 0.954,295 0.73,296 0.646,297 0.521,298 3.98,300 1,301 1,302 1,303 553,304 3.24,307 221.003,311 115.055,314 1.432,315 22.255,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 57,327 263,328 4.656,329 3.366,330 6.838,331 4.192,332 3.22,333 4.616,334 0.916,335 11.244,336 3.135,337 4.337,338 3.239,339 6.474,340 3.967,341 3.019,342 3.955,343 0.86,344 10.048,345 2.858,346 3.912,347 2.794,348 5.815,349 3.509,350 2.554,351 3.413,352 0.86,353 7.936,354 2.439,355 3.586,356 2.675,357 5.252,358 3.215,359 2.291,360 2.896,361 0.172,362 6.587,363 2.11,364 3.455,365 2.418,366 5.118,367 3.014,368 2.089,369 2.86,371 6.024,372 1.927,373 3.4,374 2.141,375 5.051,376 2.92,377 2.003,378 2.715,380 5.819,381 1.833,382 3.14,383 2.035,384 4.952,385 2.807,386 1.878,387 2.284,389 5.412,390 1.736,391 2.704,392 1.601,393 4.25,394 2.297,395 1.343,396 1.775,398 3.537,399 1.278,400 2.402,401 1.323,402 3.834,403 2.007,404 1.038,405 1.373,407 2.723,408 1.003,409 1.888,410 1.115,411 3.107,412 1.611,413 0.751,414 0.828,415 1.29,416 0.64,417 1.586,418 0.913,419 2.97,420 1.254,421 0.351,422 0.401,423 0.726,424 0.309,425 1.439,426 0.582,427 2.822,428 1.161,429 0.272,430 0.317,431 0.42,432 0.244,433 1.196,434 0.113,435 2.689,436 0.838,437 -0.111,438 -0.137,439 -0.288,440 -0.105,441 0.97,442 -0.01,443 2.587,444 0.527,445 -0.392,446 -0.504,448 -0.858,449 -0.358,450 0.762,451 -0.255,452 2.361,453 0.404,454 -0.505,455 -0.597,457 -1.092,458 -0.451,459 12.067,460 0.464,461 0.733,462 0.028,463 36.25,464 1.394,465 18.5,466 0.712,467 17.75,468 0.683,469 20.208,470 0.777,471 28.733,472 0.599,473 27.904,474 1.073,475 7.451,476 0.287,477 4.988,478 0.192,479 0.232,481 0.406,485 1.027,486 1.497,487 0.823,488 1.197,489 1.192,490 0.996,491 1.2,492 0.748,493 0.736,494 0.645,495 0.691,496 0.623,497 1.046,498 1.411,499 0.967,500 1.197,501 0.895,502 1.087,503 0.736,504 1.261,505 1.044,506 1.343,507 0.67,508 1.274,509 1.112,510 0.957,511 1.184,512 0.984,513 1.169,514 1.066,515 0.948,516 0.889,517 1.091,518 1.084,519 0.933,520 1.114,521 0.974,522 0.906,523 0.866,524 0.915,525 0.812,526 0.892,527 1.019,528 0.942,529 0.989,530 0.98,531 1.075,532 0.981,533 6,534 0.136,535 3.333,536 2.563,537 2.222,538 0.965,539 0.589,540 0.396,541 0.332,542 0.217,543 7192,544 20470,545 1.992,546 45.8,547 3,548 14,550 1,551 4,555 1.693,556 1.814,557 3.296,558 1.773,559 1,560 1,564 77.402,565 1.613,566 3.735,567 4.631,568 4.855,569 4.939,570 5.064,571 2.705,572 4.085,573 4.675,574 3.431,575 1115.22,576 8.111,577 13658.4,579 1,581 1,582 268.078,583 1.549,584 4.601,585 0.214,586 0.009,587 0.083,588 0.057,589 0.053,590 0.028,591 0.02,592 0.014,593 0.013,594 0.01,595 0.501,596 0.17,597 1,598 0.954,599 126.001,600 -0.113,601 -0.232,602 0.043,603 -0.099,604 -0.227,605 -0.007,606 -0.018,607 0.351,608 0.229,609 0.364,610 0.199,611 0.337,612 -0.105,613 -0.203,614 -0.083,615 -0.116,616 -0.099,617 -0.099,618 0.111,619 -0.162,620 -0.131,621 -0.299,622 0.15,623 -0.277,624 -0.145,625 0.028,626 -0.201,627 -0.036,628 -0.211,629 -0.106,630 -0.051,631 0.048,632 -0.117,633 -0.085,634 -0.089,635 -0.11,636 0.003,637 -0.045,638 0.138,639 0.085,640 0.062,641 0.126,642 -0.027,643 -0.012,644 0.005,645 -0.009,646 -0.067,647 0.003,648 1.548,649 2.031,650 0.615,651 20.734,652 1.007,653 1.14,654 2.154,655 4.639,656 0.647,657 3.367,658 3.714,659 4.007,660 4.277,661 4.489,662 4.533,663 4.564,664 4.605,665 4.71,666 4.71,667 5.938,668 0.62,669 354.46,670 3.367,671 4.92,672 5.784,673 6.678,674 7.559,675 8.456,676 9.342,677 10.24,678 11.129,679 12.028,680 12.5,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,716 2,718 48,719 17,720 1,721 28,723 50,724 18,725 13,726 3,727 3,729 3,730 4,734 1,741 13,742 5,753 1,754 1,757 22,758 8,759 4,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 4,810 26,811 2,816 1,818 2,821 1,829 4.2,834 2,836 14.333,837 9.883,838 5.833,839 2.465,840 3.393,841 1.47,842 0.972,843 5.228,844 10.619,845 3.624,846 4.29,847 4.927,848 5.539,849 6.108,850 6.385,851 6.682,852 7.01,853 7.399,854 7.52,855 0.857,856 45,857 9.51,859 3.895,860 7.75,861 17.953,863 14.047,865 2.25,866 58.5,870 211.88,871 106.7,872 119.275,874 22,877 106.7,878 233.88,879 119.275,880 38.988,881 2.106,882 94.223,883 62.128,884 58.075,885 4.227,886 200.109,888 211.88,889 225.975,890 22,893 213.595,894 22,897 21.877,898 152.026,899 50.357,901 211.88,902 141.275,903 106.7,906 211.88,907 30.236,908 79.588,910 138.151,911 211.88,912 141.275,913 106.7,915 0.585,916 0.361,917 0.199,918 0.107,919 19,920 10,921 0.1,922 5,923 1,924 1.125,925 3.609,926 220.406,927 0.125,928 16,929 122.211,933 18.327,934 7.416,935 3.585,936 1.223,937 141.275,938 7.458,939 12.59,943 4.859,945 65.794,946 459.854,947 36.5,956 48.334,957 54.73,958 0.289,959 0.669,960 0.829,961 0.869,962 0.884,963 0.907,964 4.869,965 1.343,966 5.796,967 5.412,968 4.394,969 4.977,970 1.698,971 6.648,972 4.279,973 6.11,974 1.038,975 7.388,976 3.537,977 4.111,978 4.956,979 0.325,980 7.636,981 3.96,982 7.445,983 0.751,984 9.078,985 2.723,986 6.033,987 7.281,988 1.422,989 10.746,990 5.832,991 8.818,992 0.351,993 10.822,994 1.29,995 6.524,996 8.046,997 0.393,998 12.533,999 6.296,1000 10.219,1001 0.272,1002 12.602,1003 0.726,1004 7.954,1005 9.888,1006 1.2,1007 15.187,1008 7.689,1009 11.642,1010 -0.111,1011 14.406,1012 0.42,1013 8.8,1014 11.032,1015 0.384,1016 17.321,1017 8.511,1018 13.082,1019 -0.392,1020 16.23,1021 -0.288,1022 10.047,1023 12.68,1024 1.01,1025 19.813,1026 9.726,1027 3.22,1028 -0.505,1029 18.069,1030 -0.858,1031 11.059,1032 14.015,1033 0.351,1034 22.098,1035 10.713,1036 3.019,1037 11.244,1038 19.92,1039 -1.092,1040 12.237,1041 15.582,1042 0.845,1043 24.53,1044 11.863,1045 2.554,1046 10.048,1047 21.781,1048 4.616,1049 13.324,1050 17.012,1051 0.312,1052 26.88,1053 12.924,1054 2.291,1055 7.936,1056 23.65,1057 3.955,1058 14.48,1059 18.546,1060 0.702,1061 29.291,1062 14.052,1063 2.089,1064 6.587,1065 25.526,1066 3.413,1067 15.601,1068 20.022,1069 0.273,1070 31.671,1071 15.147,1072 2.003,1073 6.024,1074 27.408,1075 2.896,1076 16.75,1077 21.546,1078 0.579,1079 34.077,1080 16.27,1081 1.878,1082 5.819,1083 29.294,1084 2.86,1085 17.888,1086 23.045,1087 0.236,1088 36.47,1089 17.381,1090 7136,1091 12163,1092 17.918,1093 31.034,1094 41.722,1095 42.579,1096 44.464,1097 41.535,1098 41.614,1099 54.868,1100 5.618,1101 123.535,1102 39.026,1103 5.499,1104 5.366,1105 6.406,1106 5.267,1107 5.22,1108 7.616,1109 1.776,1110 18.533,1111 5.135,1112 15.773,1113 1.49,1114 1.521,1115 1.588,1116 1.483,1117 1.486,1118 1.96,1119 0.201,1120 4.412,1121 1.394,1122 4.076,1123 4.116,1124 4.052,1125 3.963,1126 5.321,1127 3.979,1128 3.923,1129 3.947,1130 3.881,1131 3.822,1132 4.982,1133 3.833,1134 3.567,1135 3.634,1136 3.494,1137 3.378,1138 4.922,1139 3.4,1140 3.353,1141 3.431,1142 3.226,1143 3.108,1144 4.802,1145 3.123,1146 3.296,1147 3.358,1148 3.132,1149 3.01,1150 4.603,1151 3.027,1152 3.163,1153 3.261,1154 3.049,1155 2.927,1156 4.27,1157 2.938,1158 3.137,1159 3.228,1160 2.887,1161 2.865,1162 4.148,1163 2.853,1164 3.023,1165 3.153,1166 2.816,1167 2.706,1168 4.04,1169 2.724,1170 0.166,1171 0.12,1172 0.244,1173 0.15,1174 0.115,1175 4.656,1176 0.165,1177 3.366,1178 0.033,1179 6.838,1180 0.402,1181 4.192,1182 0.112,1183 3.22,1184 4.616,1185 0.916,1186 11.244,1187 3.135,1188 2,1189 1.969,1190 2.065,1191 2.135,1192 1.243,1193 2.114,1194 1.876,1195 1.857,1196 1.965,1197 2.005,1198 1.081,1199 1.993,1200 1.503,1201 1.44,1202 1.692,1203 1.732,1204 0.803,1205 1.724,1206 1.298,1207 1.217,1208 1.592,1209 1.581,1210 0.586,1211 1.587,1212 1.229,1213 1.16,1214 1.58,1215 1.55,1216 0.565,1217 1.562,1218 1.13,1219 1.037,1220 1.531,1221 1.425,1222 0.555,1223 1.464,1224 1.116,1225 1.024,1226 1.447,1227 1.399,1228 0.534,1229 1.409,1230 0.946,1231 0.827,1232 1.263,1233 1.337,1234 0.184,1235 1.341,1236 4.043,1238 5.38,1240 6.925,1242 8.569,1244 10.265,1246 7.234,1250 11.684,1252 0.599,1254 10.793,1257 2.061,1262 29.772,1263 77.402,1264 179.265,1265 222.304,1266 233.059,1267 237.059,1268 243.059,1269 39.153,1270 7.226,1271 112.41,1272 112.41,1273 18,1274 12.552,1275 4.17,1276 3.248,1277 44.269,1278 94,1279 86,1280 0.237,1281 186.591,1282 312.64,1283 447.043,1284 12608,1286 18.845,1287 0.725,1288 0.588,1289 18.845,1290 15.277,1291 12.439,1292 0.444,1293 0.287,1294 7.864,1295 11.76,1296 7.521,1297 6.345,1298 12.439,1299 8.046,1300 11.22,1301 0.281,1302 0.149,1303 11.22,1304 5.968,1305 9.603,1306 0.178,1307 0.08,1308 9.603,1309 4.339,1310 8.208,1311 0.116,1312 0.041,1313 8.208,1314 2.928,1315 6.324,1316 0.072,1317 0.022,1318 6.324,1319 1.906,1320 0.366,1321 79.373,1322 0.236,1323 24.767,1324 0.665,1325 136,1326 418.676,1327 151.998,1328 402.729,1329 556.17,1330 378,1331 162,1332 416.344,1333 178.194,1334 426.721,1335 619.85,1336 395,1337 6.39}
{0 CHEMBL281962,1 1.793,2 9.417,3 3.333,4 11.11,5 97.128,6 9.34,7 0.593,8 3.815,9 3.929,10 3.566,11 3.372,12 4.968,13 3.372,14 4.339,15 4.494,16 4.009,17 3.803,18 5.494,19 3.779,20 4.567,21 4.731,22 4.122,23 3.96,24 5.633,25 3.902,26 4.676,27 4.866,28 4.158,29 3.935,30 5.81,31 3.838,32 4.586,33 4.809,34 3.791,35 3.775,36 5.577,37 3.681,38 4.484,39 4.701,40 3.706,41 3.742,42 5.484,43 3.6,44 4.303,45 4.535,46 3.616,47 3.493,48 5.36,49 3.382,50 4.059,51 4.311,52 3.405,53 3.284,54 5.056,55 3.183,56 0.114,57 0.612,58 5.458,59 3.003,60 11.986,61 3.488,62 0.319,63 0.968,64 12.318,65 5.597,66 22.889,67 6.831,68 0.397,69 1.11,70 19.262,71 7.436,72 27.931,73 8.86,74 0.67,75 1.127,76 33.182,77 9.195,78 56.147,79 11.42,80 0.599,81 1.05,82 23.972,83 7.378,84 50.003,85 8.71,86 0.474,87 0.902,88 28.195,89 7.729,90 43.505,91 9.582,92 0.505,93 0.732,94 23.894,95 6.444,96 41.918,97 8.09,98 0.296,99 0.59,100 15.358,101 4.772,102 26.792,103 6.142,104 17,105 40,106 0.318,107 0.693,108 0.797,109 0.846,110 0.846,111 0.846,112 3.229,113 0.919,114 -4.97,115 -4.87,116 -4.57,119 41,121 1,125 3,139 3,140 3,141 2,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 4,169 2,170 6,172 3,173 3,175 1,178 8,180 1,181 1,182 4,187 1,189 3,191 1,192 1,193 7,195 3,196 3,197 1,198 2,200 2,201 4,204 2,205 1,206 1,207 2,212 1,215 1,218 1,220 1,223 1,224 1,226 1,229 5,231 1,234 5,236 1,237 1,241 5,246 2,251 1,254 5,256 1,260 4,265 1,268 1,270 1,273 662,274 16.033,275 16.033,276 16.033,277 16.033,278 16.033,279 13.949,280 19.432,281 9.153,282 16.531,283 13.327,284 13.327,285 13.327,286 13.327,287 13.327,288 10.197,289 24.588,290 4.356,291 14.257,292 3.493,293 1.372,294 0.789,295 0.513,296 0.513,297 0.513,298 3.925,299 2,300 1,301 1,302 1,303 497,304 2.449,306 36.06,307 169.186,310 142.857,314 1.549,315 25.392,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52.167,327 226,328 4.714,329 3.457,330 6.926,331 4.272,332 3.289,333 4.684,334 0.995,335 11.679,336 3.234,337 4.336,338 3.376,339 6.412,340 3.914,341 2.987,342 3.99,343 0.359,344 9.756,345 2.728,346 3.9,347 2.873,348 5.837,349 3.541,350 2.602,351 3.358,353 8.058,354 2.441,355 3.466,356 2.623,357 5.247,358 3.141,359 2.227,360 2.823,362 6.56,363 2.027,364 3.398,365 2.483,366 5.139,367 2.979,368 2.031,369 2.622,371 6.061,372 1.923,373 3.232,374 2.17,375 4.936,376 2.733,377 1.879,378 2.481,380 5.454,381 1.689,382 3.113,383 1.936,384 4.841,385 2.707,386 1.778,387 2.263,389 5.104,390 1.441,391 2.823,392 1.773,393 4.405,394 2.426,395 1.452,396 1.938,398 4.037,399 1.411,400 2.666,401 1.56,402 3.974,403 2.398,404 1.406,405 1.702,407 3.37,408 1.391,409 1.809,410 1.208,411 3.387,412 1.572,413 0.623,414 0.716,415 1.579,416 0.577,417 1.55,418 0.655,419 3.083,420 1.253,421 0.381,422 0.43,423 0.974,424 0.292,425 1.155,426 0.173,427 2.74,428 0.726,429 -0.2,430 -0.256,431 -0.551,432 -0.182,433 1,434 0.052,435 2.515,436 0.494,437 -0.347,438 -0.445,439 -0.757,440 -0.229,441 0.826,442 -0.069,443 2.399,444 0.473,445 -0.421,446 -0.475,448 -1.144,449 -0.345,450 0.708,451 -0.302,452 2.352,453 0.396,454 -0.515,455 -0.614,457 -1.302,458 -0.462,459 11.762,460 0.49,461 0.733,462 0.031,463 31.75,464 1.323,465 15,466 0.625,467 16.75,468 0.698,469 20.099,470 0.837,471 25.438,472 0.652,473 21.254,474 0.886,475 6.168,476 0.257,477 5.357,478 0.223,479 0.189,481 0.417,485 0.895,486 1.27,487 0.537,488 0.801,489 0.978,490 0.751,491 0.731,492 0.871,493 0.564,494 0.728,495 0.444,496 0.741,497 1.067,498 1.183,499 0.894,500 0.996,501 0.894,502 1.003,503 0.825,504 1.154,505 1.054,506 1.271,507 0.741,508 1.211,509 1.427,510 0.895,511 0.947,512 0.822,513 1.307,514 0.984,515 1.125,516 0.898,517 1.461,518 1.243,519 1.283,520 1.259,521 0.872,522 0.804,523 1.068,524 1.058,525 0.998,526 1.006,527 1.02,528 0.772,529 0.697,530 0.59,531 1.004,532 0.683,533 5.5,534 0.138,535 2.889,536 2.667,537 1.706,538 0.709,539 0.484,540 0.321,541 0.269,542 0.173,543 6361,544 21239,545 2.11,546 38.5,548 9,551 4,553 2,555 1.668,556 1.946,557 3.188,558 1.86,559 1,560 1,564 69.918,565 1.793,566 3.913,567 4.497,568 4.773,569 4.773,570 4.773,571 2.62,572 3.804,573 4.559,574 3.354,575 925.836,576 7.86,577 10619.3,578 1,579 1,581 1,582 206.131,583 1.483,584 4.504,585 0.204,586 0.009,587 0.072,588 0.065,589 0.047,590 0.025,591 0.02,592 0.015,593 0.015,594 0.01,595 0.483,596 0.17,597 1,598 0.622,599 112.938,600 -0.154,601 -0.071,602 -0.005,603 0.04,604 -0.195,605 0.063,606 0.102,607 0.251,608 0.085,609 0.154,610 0.224,611 0.133,612 -0.127,613 -0.149,614 -0.058,615 -0.055,616 -0.093,617 -0.083,618 0.22,619 -0.225,620 -0.007,621 -0.265,622 0.216,623 -0.22,624 -0.323,625 0.074,626 -0.117,627 0.107,628 -0.328,629 -0.034,630 -0.181,631 0.025,632 -0.291,633 -0.21,634 -0.286,635 -0.235,636 0.146,637 0.076,638 0.022,639 -0.029,640 0.019,641 0.043,642 -0.094,643 0.135,644 0.218,645 0.399,646 -0.055,647 0.361,648 1.55,649 2.362,650 0.792,651 19,652 1.02,653 1.13,654 3.739,655 13.979,656 0.712,657 3.332,658 3.714,659 4.025,660 4.357,661 4.585,662 4.7,663 4.844,664 5.037,665 5.124,666 5.204,667 5.661,668 0.683,669 364.26,670 3.332,671 4.905,672 5.784,673 6.696,674 7.59,675 8.507,676 9.408,677 10.326,678 11.233,679 12.152,680 12.8,683 1,684 2,690 2,694 2,695 3,696 2,698 1,700 7,702 16,711 2,717 2,718 39,719 16,720 1,721 27,723 42,724 16,725 12,726 3,727 3,729 4,730 7,731 2,736 1,739 1,741 12,742 4,753 1,754 1,756 1,757 15,758 6,759 4,760 8,761 2,764 5,769 0.5,770 1,776 1,780 1,781 3,784 2,799 1,802 2,807 2,810 24,811 2,816 4,821 1,828 2,829 2.6,834 1,836 12.333,837 6.969,838 5.083,839 2.21,840 3.183,841 1.417,842 1.043,843 4.043,844 10.814,845 3.584,846 4.273,847 4.906,848 5.549,849 6.055,850 6.367,851 6.693,852 7.086,853 7.239,854 7.474,855 1,856 41,857 8.822,859 3.855,860 7.78,861 16.741,863 14.147,865 2.28,866 54.722,870 129.482,871 67.309,872 102.49,873 78.297,874 9.507,877 67.309,878 217.287,879 102.49,881 8.852,882 94.223,883 37.978,884 28.577,885 9.676,886 129.482,887 78.297,888 129.482,889 169.799,890 9.507,891 78.297,893 105.94,894 33.05,897 18.282,898 117.945,899 111.868,901 129.482,902 111.997,903 145.606,906 129.482,907 38.88,908 31.553,910 187.17,911 129.482,912 111.997,913 145.606,915 0.598,916 0.356,917 0.201,918 0.107,919 22,920 10,921 0.048,922 2,923 2,924 1.211,925 3.563,926 206.932,927 0.211,928 19,929 104.039,933 15.964,934 6.077,935 2.853,936 1.22,937 111.997,938 5.532,939 8.166,941 5.862,943 4.636,945 65.794,946 387.085,947 35,956 39.785,957 44.08,958 0.339,959 0.74,960 0.851,961 0.903,962 0.903,963 0.903,964 4.852,965 1.452,966 5.802,967 5.104,968 4.394,969 4.959,970 1.114,971 6.668,972 4.268,973 6.096,974 1.406,975 7.396,976 4.037,977 4.111,978 4.956,979 0.325,980 7.647,981 3.888,982 7.436,983 0.623,984 9.086,985 3.37,986 6.043,987 7.264,988 0.897,989 10.787,990 5.831,991 8.811,992 0.381,993 10.832,994 1.579,995 6.538,996 8.073,997 0.504,998 12.606,999 6.259,1000 10.218,1001 -0.2,1002 12.615,1003 0.974,1004 7.987,1005 9.903,1006 0.792,1007 15.278,1008 7.712,1009 11.649,1010 -0.347,1011 14.424,1012 -0.551,1013 8.85,1014 11.099,1015 0.585,1016 17.461,1017 8.536,1018 13.099,1019 -0.421,1020 16.254,1021 -0.757,1022 10.115,1023 12.742,1024 0.735,1025 19.974,1026 9.795,1027 3.289,1028 -0.515,1029 18.1,1030 -1.144,1031 11.147,1032 14.121,1033 0.622,1034 22.311,1035 10.805,1036 2.987,1037 11.679,1038 19.959,1039 -1.302,1040 12.344,1041 15.69,1042 0.703,1043 24.772,1044 11.992,1045 2.602,1046 9.756,1047 21.83,1048 4.684,1049 13.452,1050 17.152,1051 0.639,1052 27.173,1053 13.086,1054 2.227,1055 8.058,1056 23.709,1057 3.99,1058 14.626,1059 18.696,1060 0.683,1061 29.62,1062 14.251,1063 2.031,1064 6.56,1065 25.596,1066 3.358,1067 15.769,1068 20.196,1069 0.646,1070 32.048,1071 15.383,1072 1.879,1073 6.061,1074 27.49,1075 2.823,1076 16.938,1077 21.732,1078 0.67,1079 34.494,1080 16.544,1081 1.778,1082 5.454,1083 29.388,1084 2.622,1085 18.098,1086 23.251,1087 0.648,1088 36.935,1089 17.694,1090 6036,1091 11136,1092 17.918,1093 27.767,1094 41.494,1095 42.394,1096 43.188,1097 41.583,1098 41.314,1099 54.011,1100 2.707,1101 125.268,1102 38.31,1103 5.659,1104 5.457,1105 6.472,1106 5.343,1107 5.289,1108 7.684,1109 1.754,1110 18.833,1111 5.234,1112 12.282,1113 1.537,1114 1.57,1115 1.6,1116 1.54,1117 1.53,1118 2,1119 0.1,1120 4.64,1121 1.419,1122 4.125,1123 4.147,1124 4.13,1125 3.986,1126 5.355,1127 4.009,1128 3.92,1129 3.939,1130 4.068,1131 3.871,1132 5.009,1133 3.864,1134 3.633,1135 3.704,1136 3.582,1137 3.431,1138 4.982,1139 3.452,1140 3.265,1141 3.332,1142 3.561,1143 3.046,1144 4.925,1145 3.062,1146 3.147,1147 3.224,1148 3.18,1149 2.936,1150 4.632,1151 2.938,1152 3.059,1153 3.173,1154 3.065,1155 2.849,1156 4.226,1157 2.815,1158 2.901,1159 2.961,1160 3.006,1161 2.789,1162 4.115,1163 2.806,1164 2.875,1165 2.918,1166 2.857,1167 2.636,1168 4.051,1169 2.655,1170 0.175,1171 0.128,1172 0.257,1173 0.158,1174 0.122,1175 4.714,1176 0.173,1177 3.457,1178 0.037,1179 6.926,1180 0.433,1181 4.272,1182 0.12,1183 3.289,1184 4.684,1185 0.995,1186 11.679,1187 3.234,1188 1.92,1189 1.897,1190 2.017,1191 2.035,1192 1.321,1193 2.036,1194 1.844,1195 1.816,1196 1.92,1197 1.98,1198 1.121,1199 1.954,1200 1.671,1201 1.63,1202 1.769,1203 1.874,1204 0.835,1205 1.866,1206 1.198,1207 1.14,1208 1.458,1209 1.431,1210 0.69,1211 1.43,1212 1.115,1213 1.051,1214 1.387,1215 1.395,1216 0.589,1217 1.389,1218 0.981,1219 0.888,1220 1.269,1221 1.33,1222 0.214,1223 1.329,1224 0.849,1225 0.827,1226 1.092,1227 1.142,1228 0.105,1229 1.146,1230 0.799,1231 0.706,1232 1,1233 0.973,1235 1.004,1236 4.007,1238 5.371,1239 2.398,1240 6.929,1241 4.844,1242 8.581,1243 7.066,1244 10.28,1247 12.536,1250 11.627,1252 2.916,1257 2.227,1262 26.638,1263 69.918,1264 152.621,1265 175.376,1266 186.131,1267 186.131,1268 186.131,1269 34.412,1270 7.63,1271 94.2,1272 94.2,1273 23,1274 12.664,1275 4.087,1276 3.17,1277 33.93,1278 85,1279 67,1280 0.208,1281 168.816,1282 278.95,1283 403.671,1284 20733,1285 5.1,1286 16.845,1287 0.702,1288 0.593,1289 17.845,1290 14.233,1291 11.525,1292 0.427,1293 0.306,1294 7.462,1295 10.527,1296 7.26,1297 5.922,1298 12.102,1299 8.267,1300 11.015,1301 0.275,1302 0.166,1303 11.757,1304 6.626,1305 9.317,1306 0.169,1307 0.09,1308 10.033,1309 4.976,1310 8.417,1311 0.109,1312 0.047,1313 9.134,1314 3.652,1315 6.56,1316 0.068,1317 0.026,1318 6.967,1319 2.505,1320 0.321,1321 78.323,1322 0.236,1323 23.129,1324 0.582,1325 134,1326 395.702,1327 177.822,1328 445.188,1329 596.51,1330 414,1331 162,1332 406.435,1333 198.62,1334 429.413,1335 637.36,1336 404,1337 4.09}
{0 CHEMBL282022,1 1.572,2 8.727,3 2.568,4 6.594,5 89.334,6 7.152,7 0.522,8 3.822,9 3.954,10 3.335,11 3.281,12 5.014,13 3.274,14 4.295,15 4.478,16 3.635,17 3.614,18 5.404,19 3.585,20 4.421,21 4.585,22 3.752,23 3.775,24 5.52,25 3.733,26 4.621,27 4.831,28 3.728,29 3.846,30 5.676,31 3.771,32 4.681,33 4.89,34 3.623,35 3.857,36 5.685,37 3.757,38 4.69,39 4.95,40 3.493,41 3.79,42 5.613,43 3.654,44 4.613,45 4.9,46 3.419,47 3.628,48 5.543,49 3.484,50 4.4,51 4.677,52 3.257,53 3.392,54 5.458,55 3.279,56 0.049,57 0.607,58 9.182,59 3.48,60 13.067,61 4.815,62 0.278,63 0.872,64 16.234,65 5.863,66 27.772,67 7.86,68 0.214,69 1.029,70 17.634,71 6.481,72 21.41,73 9.13,74 0.281,75 1.138,76 22.786,77 7.895,78 37.138,79 11.128,80 0.358,81 1.149,82 24.724,83 8.333,84 42.151,85 11.658,86 0.29,87 1.121,88 25.471,89 8.359,90 39.658,91 12.482,92 0.368,93 0.976,94 24.315,95 7.767,96 43.046,97 11.942,98 0.386,99 0.815,100 19.663,101 5.291,102 42.822,103 8.541,104 36,105 31,106 0.279,107 0.637,108 0.789,109 0.839,110 0.848,111 0.873,112 3.147,113 0.887,114 -3.68,115 -3.64,116 -3.47,119 38.1,121 2,124 2,133 1,134 1,139 2,140 3,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 4,172 3,173 3,175 1,178 8,180 1,181 1,182 7,187 1,189 7,191 1,193 7,195 1,196 1,197 1,198 2,200 2,201 5,204 2,205 1,207 8,212 3,215 4,218 3,221 4,226 2,229 3,231 2,233 2,234 2,236 1,237 1,239 3,241 1,243 3,245 2,246 2,248 1,249 1,251 2,256 2,260 2,262 1,263 1,265 2,270 2,273 636,274 14.834,275 14.834,276 14.834,277 14.834,278 14.834,279 13.151,280 23.58,281 8.78,282 15.351,283 11.18,284 11.18,285 11.18,286 11.18,287 11.18,288 8.53,289 32.791,290 3.894,291 11.826,292 3.82,293 1.797,294 0.941,295 0.655,296 0.607,297 0.465,298 3.805,300 1,301 1,302 1,303 388,304 2.915,307 152.68,314 1.231,315 20.04,316 1,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 48,327 192,328 4.431,329 3.372,330 6.527,331 4.041,332 3.075,333 4.115,334 0.86,335 10.288,336 2.973,337 4.228,338 3.076,339 6.088,340 3.812,341 2.856,342 3.875,343 0.86,344 8.842,345 2.734,346 3.6,347 2.538,348 5.281,349 3.234,350 2.279,351 2.934,352 0.68,353 6.715,354 2.178,355 3.384,356 2.532,357 5.206,358 3.047,359 2.089,360 2.663,361 0.68,362 6.217,363 1.99,364 3.362,365 2.182,366 4.921,367 2.939,368 1.999,369 2.63,371 5.65,372 1.868,373 2.823,374 1.97,375 4.147,376 2.353,377 1.423,378 1.952,380 3.673,381 1.321,382 2.68,383 1.558,384 3.825,385 2.208,386 1.278,387 1.572,389 2.661,390 1.183,391 2.119,392 1.262,393 3.121,394 1.782,395 0.863,396 1.034,398 1.5,399 0.784,400 1.612,401 0.975,402 2.959,403 1.322,404 0.415,405 0.474,407 0.84,408 0.37,409 1.479,410 0.626,411 2.668,412 1.179,413 0.294,414 0.337,415 0.452,416 0.26,417 1.138,418 0.232,419 2.391,420 0.739,421 -0.208,422 -0.259,423 -0.34,424 -0.194,425 0.937,426 -0.136,427 2.359,428 0.586,429 -0.381,430 -0.494,431 -0.796,432 -0.369,433 0.795,434 -0.313,435 2.304,436 0.392,437 -0.515,438 -0.621,439 -1.242,440 -0.466,441 0.561,442 -0.318,443 1.926,444 0.186,445 -0.74,446 -0.878,448 -1.719,449 -0.673,450 0.407,451 -0.702,452 1.65,453 0.03,454 -0.949,455 -1.286,457 -2.129,458 -0.922,459 10.267,460 0.467,461 0.503,462 0.023,463 29,464 1.318,465 15,466 0.682,467 14,468 0.636,469 15.943,470 0.725,471 24.533,472 0.584,473 21.488,474 0.977,475 6.131,476 0.279,477 4.452,478 0.202,479 0.224,481 0.341,485 1.026,486 1.321,487 0.872,488 1.15,489 1.25,490 0.996,491 1.156,492 0.778,493 0.82,494 0.819,495 0.763,496 0.791,497 0.88,498 1.284,499 0.97,500 1.215,501 0.849,502 1.119,503 1.086,504 1.015,505 1.053,506 1.124,507 0.917,508 1.091,509 1.442,510 1.096,511 1.255,512 1.155,513 1.108,514 1.19,515 0.924,516 1.045,517 1.036,518 1.096,519 0.892,520 1.09,521 0.566,522 0.981,523 0.744,524 0.967,525 0.618,526 0.911,527 0.879,528 1.016,529 0.95,530 0.936,531 1.024,532 0.949,533 5,534 0.058,535 2.444,536 1.813,537 1.538,538 0.674,539 0.588,540 0.326,541 0.214,542 0.142,543 4239,544 12324,545 1.944,546 47.6,547 4,548 11,550 1,551 4,555 1.649,556 1.784,557 3.114,558 1.87,559 1,560 1,562 1,564 66.039,565 1.572,566 3.595,567 4.452,568 4.737,569 4.785,570 4.928,571 2.504,572 4.096,573 4.43,574 3.241,575 748.718,576 7.635,577 8222.55,578 1,579 1,581 1,582 226.477,583 1.529,584 4.365,585 0.217,586 0.012,587 0.079,588 0.053,589 0.048,590 0.024,591 0.024,592 0.015,593 0.012,594 0.012,595 0.496,596 0.17,597 1,598 1.283,599 100.406,600 -0.107,601 -0.068,602 0.022,603 -0.038,604 -0.242,605 0.016,606 0.015,607 0.307,608 0.143,609 0.232,610 0.115,611 0.2,612 0.055,613 -0.133,614 -0.057,615 -0.131,616 -0.044,617 -0.108,618 -0.076,619 0.029,620 -0.101,621 -0.095,622 -0.009,623 -0.1,624 -0.26,625 -0.109,626 -0.284,627 -0.127,628 -0.19,629 -0.204,630 -0.077,631 -0.112,632 -0.075,633 -0.098,634 -0.061,635 -0.088,636 0.255,637 -0.129,638 0.238,639 0.01,640 0.222,641 0.098,642 0.141,643 -0.088,644 0.059,645 -0.029,646 0.075,647 -0.006,648 1.499,649 1.926,650 0.545,651 16.992,652 1.003,653 1.137,654 2.446,655 5.983,656 0.643,657 3.178,658 3.466,659 3.714,660 3.951,661 4.127,662 4.111,663 4.127,664 4.174,665 4.174,666 4.06,667 5.294,668 0.613,669 300.4,670 3.178,671 4.691,672 5.525,673 6.395,674 7.251,675 8.125,676 8.988,677 9.863,678 10.729,679 11.605,680 9.5,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 2,718 42,719 13,720 1,721 23,723 43,724 16,725 10,726 4,727 2,729 2,730 2,739 2,741 12,742 4,744 1,745 1,749 1,753 1,754 1,757 20,758 6,759 4,760 6,764 4,769 1,770 2,776 1,781 2,794 1,795 1,802 2,806 2,810 22,811 2,816 2,818 2,829 4.8,834 2,836 12.333,837 7.983,838 5.167,839 2.113,840 2.328,841 1.361,842 0.947,843 5.36,844 8.784,845 3.434,846 4.007,847 4.549,848 5.094,849 5.599,850 5.742,851 5.937,852 6.292,853 6.588,854 6.824,855 0.833,856 34,857 8.031,859 3.204,860 7.803,861 15.099,863 11.53,865 2.303,866 50.667,869 1,870 188.338,871 104.349,872 99.365,874 22,877 104.349,878 210.337,879 99.365,880 21.766,881 20.836,882 94.223,883 45.342,884 51.091,885 4.227,886 176.567,888 188.338,889 203.714,890 22,893 188.338,894 22,897 16.016,898 144.651,899 43.047,901 188.338,902 121.365,903 104.349,906 188.338,907 29.34,908 59.242,910 137.132,911 188.338,912 121.365,913 104.349,915 0.562,916 0.343,917 0.195,918 0.106,919 13,920 7,921 0.14,922 6,924 1,925 3.277,926 164.358,928 12,929 98.107,933 16.27,934 7.248,935 3.768,937 121.365,938 5.599,939 7.963,943 4.773,945 65.794,946 414.052,947 30,948 3.774,952 1.821,956 42.131,957 47.734,958 0.292,959 0.667,960 0.826,961 0.879,962 0.887,963 0.914,964 4.644,965 0.863,966 5.509,967 2.661,968 4.143,969 4.691,970 1.759,971 6.312,972 4.044,973 5.851,974 0.415,975 7.067,976 1.5,977 3.761,978 4.559,980 7.209,981 3.633,982 7.158,983 0.294,984 8.723,985 0.84,986 5.727,987 6.888,988 1.397,989 10.28,990 5.556,991 8.501,992 -0.208,993 10.434,994 0.452,995 6.133,996 7.524,998 11.964,999 5.924,1000 9.874,1001 -0.381,1002 12.18,1003 -0.34,1004 7.583,1005 9.359,1006 1.103,1007 14.559,1008 7.346,1009 11.267,1010 -0.515,1011 13.949,1012 -0.796,1013 8.36,1014 10.357,1016 16.588,1017 8.08,1018 12.676,1019 -0.74,1020 15.736,1021 -1.242,1022 9.601,1023 11.977,1024 0.867,1025 19.011,1026 9.296,1027 3.075,1028 -0.949,1029 17.536,1030 -1.719,1031 10.553,1032 13.162,1034 21.196,1035 10.208,1036 2.856,1037 10.288,1038 19.347,1039 -2.129,1040 11.71,1041 14.677,1042 0.678,1043 23.553,1044 11.337,1045 2.279,1046 8.842,1047 21.167,1048 4.115,1049 12.745,1050 15.96,1052 25.809,1053 12.332,1054 2.089,1055 6.715,1056 22.994,1057 3.875,1058 13.868,1059 17.421,1060 0.527,1061 28.141,1062 13.426,1063 1.999,1064 6.217,1065 24.826,1066 2.934,1067 14.941,1068 18.757,1070 30.431,1071 14.462,1072 1.423,1073 5.65,1074 26.664,1075 2.663,1076 16.052,1077 20.189,1078 0.407,1079 32.755,1080 15.543,1081 1.278,1082 3.673,1083 28.507,1084 2.63,1085 17.144,1086 21.554,1088 35.062,1089 16.598,1090 4411,1091 7611,1092 14.622,1093 27.023,1094 33.349,1095 34.129,1096 35.631,1097 33.053,1098 33.141,1099 43.173,1100 6.16,1101 93.676,1102 31.321,1103 5.206,1104 5.372,1105 6.291,1106 5.11,1107 5.075,1108 7.115,1109 1.72,1110 17.221,1111 4.973,1112 13.115,1113 1.45,1114 1.484,1115 1.549,1116 1.437,1117 1.441,1118 1.877,1119 0.268,1120 4.073,1121 1.362,1122 4.004,1123 4.03,1124 3.958,1125 3.925,1126 5.291,1127 3.928,1128 3.825,1129 3.871,1130 3.788,1131 3.668,1132 4.98,1133 3.691,1134 3.513,1135 3.568,1136 3.375,1137 3.395,1138 4.921,1139 3.383,1140 3.318,1141 3.377,1142 3.191,1143 3.075,1144 4.691,1145 3.097,1146 3.237,1147 3.307,1148 3.035,1149 2.945,1150 4.491,1151 2.951,1152 3.112,1153 3.218,1154 2.954,1155 2.857,1156 4.458,1157 2.862,1158 2.971,1159 3.088,1160 2.795,1161 2.706,1162 4.267,1163 2.704,1164 2.844,1165 2.937,1166 2.66,1167 2.619,1168 3.747,1169 2.629,1170 0.193,1171 0.147,1172 0.284,1173 0.176,1174 0.134,1175 4.431,1176 0.179,1177 3.372,1178 0.037,1179 6.527,1180 0.447,1181 4.041,1182 0.129,1183 3.075,1184 4.115,1185 0.86,1186 10.288,1187 2.973,1188 1.957,1189 1.939,1190 2.053,1191 2.06,1192 1.26,1193 2.056,1194 1.753,1195 1.71,1196 1.862,1197 1.939,1198 0.99,1199 1.915,1200 1.519,1201 1.467,1202 1.727,1203 1.684,1204 0.722,1205 1.707,1206 1.247,1207 1.187,1208 1.575,1209 1.539,1210 0.574,1211 1.549,1212 1.186,1213 1.108,1214 1.566,1215 1.515,1216 0.566,1217 1.533,1218 1.067,1219 0.977,1220 1.354,1221 1.38,1222 0.344,1223 1.378,1224 0.907,1225 0.81,1226 1.239,1227 1.255,1228 0.172,1229 1.269,1230 0.842,1231 0.739,1232 1.179,1233 1.097,1235 1.133,1236 3.85,1238 5.142,1240 6.642,1242 8.246,1244 9.9,1246 3.232,1250 11.408,1252 1.262,1254 10.835,1262 25.73,1263 66.039,1264 150.993,1265 186.968,1266 198.968,1267 200.968,1268 206.968,1269 36.629,1270 6.455,1271 96.28,1272 96.28,1273 12,1274 12.146,1275 3.807,1276 3,1277 42.025,1278 69,1279 70,1280 0.305,1281 164.139,1282 281.94,1283 392.259,1284 4346,1286 16.113,1287 0.732,1288 0.582,1289 16.113,1290 12.796,1291 10.583,1292 0.46,1293 0.296,1294 6.668,1295 10.075,1296 6.417,1297 5.426,1298 10.583,1299 6.802,1300 9.018,1301 0.291,1302 0.155,1303 9.018,1304 4.799,1305 7.384,1306 0.185,1307 0.082,1308 7.384,1309 3.291,1310 6.225,1311 0.122,1312 0.045,1313 6.225,1314 2.306,1315 4.797,1316 0.079,1317 0.025,1318 4.797,1319 1.519,1320 0.466,1321 67.17,1322 0.262,1323 21.439,1324 0.871,1325 108,1326 335.386,1327 119.807,1328 322.923,1329 438.38,1330 302,1331 125,1332 319.063,1333 136.752,1334 328.237,1335 471.69,1336 303,1337 4.301}
{0 CHEMBL282948,1 1.42,2 10.16,3 3.392,4 11.504,5 102.144,6 7.116,7 0.607,8 3.953,9 4.098,10 3.484,11 3.494,12 5.03,13 3.467,14 4.479,15 4.673,16 3.858,17 3.913,18 5.509,19 3.854,20 4.729,21 4.945,22 3.95,23 4.073,24 5.662,25 3.994,26 4.816,27 5.047,28 3.883,29 4.059,30 5.822,31 3.947,32 4.867,33 5.155,34 3.607,35 3.957,36 5.739,37 3.812,38 4.677,39 4.973,40 3.45,41 3.803,42 5.492,43 3.64,44 4.493,45 4.766,46 3.437,47 3.712,48 5.329,49 3.584,50 4.432,51 4.682,52 3.453,53 3.686,54 5.328,55 3.566,56 0.061,57 0.759,58 10.308,59 3.848,60 10.717,61 5.589,62 0.214,63 1.2,64 18.505,65 7.245,66 24.046,67 10.359,68 0.141,69 1.461,70 24.344,71 8.788,72 18.92,73 13.136,74 0.302,75 1.54,76 27.133,77 9.589,78 40.548,79 14.275,80 0.366,81 1.463,82 30.578,83 8.708,84 45.529,85 13.925,86 0.287,87 1.177,88 25.239,89 8.703,90 33.814,91 13.173,92 0.164,93 1.027,94 20.412,95 7.159,96 23.207,97 10.831,98 0.142,99 1.002,100 18.702,101 6.823,102 21.62,103 10.19,104 10,105 40,106 0.242,107 0.616,108 0.803,109 0.842,110 0.864,111 0.878,112 3.267,113 0.927,114 -4.86,115 -4.76,116 -4.47,119 40.4,120 1,121 4,125 1,139 3,140 5,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 12,169 2,170 4,172 3,173 3,175 4,178 14,180 1,182 3,187 5,189 9,191 1,192 1,193 5,195 3,196 4,197 1,198 8,200 2,201 7,204 3,205 1,212 2,215 7,218 1,221 2,224 2,225 1,226 2,228 1,229 10,231 2,234 3,241 10,246 7,250 1,251 2,253 1,254 7,256 2,260 7,265 3,268 2,270 3,273 821,274 16.999,275 16.999,276 16.999,277 16.999,278 16.999,279 14.838,280 20.771,281 9.907,282 17.288,283 13.81,284 13.81,285 13.81,286 13.81,287 13.81,288 10.518,289 25.221,290 4.667,291 14.289,292 4.135,293 1.941,294 0.841,295 0.612,296 0.484,297 0.399,298 3.967,300 1,301 1,302 1,303 561,304 2.55,307 235.998,311 201.172,314 1.446,315 17.945,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 53,327 254,328 4.654,329 3.32,330 6.835,331 4.186,332 3.213,333 4.616,334 0.657,335 11.231,336 3.131,337 4.374,338 3.229,339 6.506,340 4.02,341 3.03,342 4.024,344 10.196,345 3.002,346 3.905,347 2.744,348 5.801,349 3.501,350 2.544,351 3.409,353 7.86,354 2.435,355 3.457,356 2.361,357 5.203,358 3.098,359 2.134,360 2.861,362 6.253,363 2.059,364 3.42,365 2.174,366 5.094,367 2.968,368 2.028,369 2.726,371 5.894,372 1.9,373 3.337,374 2.047,375 5.006,376 2.895,377 1.965,378 2.602,380 5.785,381 1.817,382 2.947,383 1.787,384 4.263,385 2.618,386 1.618,387 2.115,389 3.818,390 1.618,391 2.707,392 1.64,393 4.153,394 2.327,395 1.371,396 1.778,398 3.541,399 1.308,400 2.434,401 1.342,402 3.602,403 2.27,404 1.274,405 1.429,407 2.851,408 1.267,409 2.178,410 1.213,411 3.443,412 2.007,413 1.04,414 1.152,415 2.387,416 1.003,417 1.857,418 0.852,419 3.195,420 1.62,421 0.657,422 0.764,423 1.546,424 0.632,425 1.388,426 0.289,427 2.829,428 1.019,429 0.074,430 0.092,431 0.182,432 0.07,433 1.191,434 0.106,435 2.792,436 0.837,437 -0.114,438 -0.141,439 -0.298,440 -0.109,441 0.972,442 -0.224,443 2.584,444 0.573,445 -0.38,446 -0.48,448 -0.98,449 -0.358,450 0.782,451 -0.312,452 2.344,453 0.418,454 -0.514,455 -0.618,457 -1.235,458 -0.483,459 11.9,460 0.476,461 0.627,462 0.025,463 34,464 1.36,465 17.5,466 0.7,467 16.5,468 0.66,469 20.295,470 0.812,471 26.5,472 0.564,473 22.801,474 0.912,475 6.297,476 0.252,477 5.834,478 0.233,479 0.109,481 0.378,485 1.123,486 1.22,487 0.867,488 0.965,489 1.206,490 0.898,491 0.542,492 0.941,493 0.788,494 0.967,495 0.412,496 0.919,497 0.882,498 1.232,499 0.906,500 1.096,501 0.733,502 1.02,503 0.733,504 1.215,505 1.09,506 1.296,507 0.605,508 1.248,509 1.496,510 0.898,511 1.216,512 0.932,513 1.326,514 1.021,515 0.708,516 0.75,517 0.916,518 0.904,519 0.764,520 0.931,521 0.83,522 0.881,523 0.879,524 0.899,525 0.877,526 0.895,527 0.711,528 1.064,529 0.929,530 1.088,531 0.759,532 1.044,533 4.5,534 0.103,535 3.111,536 2.188,537 1.644,538 0.618,539 0.365,540 0.321,541 0.25,542 0.192,543 7388,544 16680,545 2.13,546 46.8,547 11,548 5,550 1,551 5,555 1.679,556 2,557 3.292,558 2.568,559 1,560 1,564 66.738,565 1.42,566 3.614,567 4.714,568 4.943,569 5.07,570 5.156,571 2.713,572 4.404,573 4.621,574 3.439,575 1031.7,576 7.979,577 12352.2,579 1,581 1,582 261.066,583 1.388,584 4.579,585 0.161,586 0.006,587 0.078,588 0.051,589 0.044,590 0.023,591 0.015,592 0.013,593 0.01,594 0.009,595 0.41,596 0.17,597 1,598 0.553,599 120.079,600 -0.152,601 0.007,602 0.03,603 0.087,604 -0.177,605 0.083,606 0.331,607 0.173,608 0.133,609 0.08,610 0.326,611 0.081,612 -0.021,613 -0.18,614 0.03,615 -0.067,616 0.009,617 -0.021,618 0.231,619 -0.18,620 -0.137,621 -0.302,622 0.259,623 -0.272,624 -0.315,625 0.068,626 -0.206,627 -0.012,628 -0.26,629 -0.081,630 0.132,631 0.141,632 0.072,633 0.088,634 0.076,635 0.075,636 -0.028,637 0.052,638 0.091,639 0.115,640 -0.048,641 0.117,642 0.075,643 -0.095,644 0.023,645 -0.062,646 0.055,647 -0.032,648 1.515,649 2.034,650 0.8,651 18.794,652 0.993,653 1.134,654 3.626,655 13.146,656 0.662,657 3.367,658 3.714,659 4.025,660 4.317,661 4.533,662 4.564,663 4.625,664 4.736,665 4.844,666 4.852,667 5.963,668 0.624,669 334.47,670 3.367,671 4.92,672 5.79,673 6.683,674 7.565,675 8.461,676 9.346,677 10.244,678 11.13,679 12.028,680 12.8,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,718 47,719 17,720 1,721 28,723 50,724 19,725 13,726 3,727 3,729 4,730 6,734 1,736 4,739 4,741 13,742 6,753 1,754 1,757 22,758 6,759 5,760 6,764 6,769 0.5,775 1,776 1,781 4,785 2,802 2,806 1,810 25,811 2,816 5,817 1,836 12.5,837 8.6,838 5.417,839 2.893,840 3.504,841 1.462,842 1.039,843 4.179,844 11.085,845 3.624,846 4.29,847 4.931,848 5.547,849 6.105,850 6.376,851 6.684,852 7.046,853 7.42,854 7.532,855 0.857,856 43,857 9.213,859 3.934,860 7.58,861 17.954,863 15.113,865 2.08,866 52,869 1,870 200.109,871 82.56,872 134.162,877 82.56,878 200.109,879 134.162,880 8.825,881 12.244,882 94.223,883 80.138,884 28.835,885 4.227,886 188.338,888 200.109,889 216.721,893 201.824,897 32.016,898 114.623,899 68.367,901 200.109,902 134.162,903 82.56,906 200.109,907 36.258,908 46.301,909 18.011,910 116.151,911 200.109,912 134.162,913 82.56,915 0.587,916 0.356,917 0.203,918 0.106,919 21,920 9,921 0.06,922 3,923 2,924 1.2,925 3.701,926 214.113,927 0.2,928 20,929 116.096,933 16.099,934 6.49,935 3.003,936 1.326,937 134.162,938 8.371,939 12.646,943 6.803,945 83.805,946 416.83,947 36.5,956 46.68,957 53.311,958 0.256,959 0.651,960 0.849,961 0.89,962 0.913,963 0.928,964 4.869,965 1.371,966 5.784,967 3.818,968 4.394,969 4.977,970 0.623,971 6.627,972 4.33,973 6.097,974 1.274,975 7.362,976 3.541,977 4.007,978 4.913,980 7.591,981 3.922,982 7.427,983 1.04,984 9.043,985 2.851,986 6.014,987 7.276,988 0.317,989 10.726,990 5.9,991 8.795,992 0.657,993 10.785,994 2.387,995 6.447,996 8.037,998 12.531,999 6.323,1000 10.197,1001 0.074,1002 12.566,1003 1.546,1004 7.931,1005 9.893,1006 0.149,1007 15.187,1008 7.781,1009 11.623,1010 -0.114,1011 14.375,1012 0.182,1013 8.753,1014 11.045,1016 17.337,1017 8.595,1018 13.068,1019 -0.38,1020 16.205,1021 -0.298,1022 10.027,1023 12.697,1024 0.067,1025 19.829,1026 9.846,1027 3.213,1028 -0.514,1029 18.05,1030 -0.98,1031 11.03,1032 14.039,1034 22.122,1035 10.836,1036 3.03,1037 11.231,1038 19.907,1039 -1.235,1040 12.222,1041 15.606,1042 0.03,1043 24.553,1044 12.008,1045 2.544,1046 10.196,1047 21.773,1048 4.616,1049 13.305,1050 17.038,1052 26.906,1053 13.074,1054 2.134,1055 7.86,1056 23.647,1057 4.024,1058 14.467,1059 18.572,1060 0.013,1061 29.316,1062 14.215,1063 2.028,1064 6.253,1065 25.527,1066 3.409,1067 15.587,1068 20.049,1070 31.696,1071 15.315,1072 1.965,1073 5.894,1074 27.412,1075 2.861,1076 16.739,1077 21.571,1078 0.006,1079 34.1,1080 16.446,1081 1.618,1082 5.785,1083 29.302,1084 2.726,1085 17.874,1086 23.069,1088 36.493,1089 17.56,1090 6933,1091 10585,1092 18.898,1093 31.125,1094 42.035,1095 42.293,1096 43.343,1097 41.916,1098 41.897,1099 55.136,1100 1.315,1101 123.089,1102 40.487,1103 5.6,1104 5.32,1105 6.524,1106 5.261,1107 5.213,1108 7.616,1109 1.315,1110 18.469,1111 5.131,1112 10.807,1113 1.501,1114 1.51,1115 1.548,1116 1.497,1117 1.496,1118 1.969,1119 0.047,1120 4.396,1121 1.446,1122 4.082,1123 4.122,1124 4.053,1125 3.983,1126 5.321,1127 3.991,1128 3.99,1129 4.025,1130 3.93,1131 3.914,1132 4.982,1133 3.917,1134 3.582,1135 3.652,1136 3.494,1137 3.425,1138 4.818,1139 3.423,1140 3.494,1141 3.557,1142 3.361,1143 3.345,1144 4.732,1145 3.353,1146 3.229,1147 3.318,1148 3.084,1149 3.043,1150 4.228,1151 3.039,1152 3.154,1153 3.248,1154 3.046,1155 2.947,1156 4.079,1157 2.947,1158 3.037,1159 3.153,1160 2.855,1161 2.798,1162 4.036,1163 2.81,1164 3.023,1165 3.133,1166 2.794,1167 2.703,1168 3.953,1169 2.719,1170 0.166,1171 0.119,1172 0.244,1173 0.149,1174 0.115,1175 4.654,1176 0.165,1177 3.32,1178 0.023,1179 6.835,1180 0.401,1181 4.186,1182 0.112,1183 3.213,1184 4.616,1185 0.657,1186 11.231,1187 3.131,1188 2.015,1189 1.985,1190 2.135,1191 2.137,1192 1.439,1193 2.125,1194 1.976,1195 1.946,1196 2.051,1197 2.079,1198 1.222,1199 2.084,1200 1.561,1201 1.501,1202 1.78,1203 1.754,1204 0.957,1205 1.761,1206 1.466,1207 1.406,1208 1.627,1209 1.659,1210 0.776,1211 1.668,1212 1.216,1213 1.135,1214 1.537,1215 1.462,1216 0.717,1217 1.49,1218 1.133,1219 1.05,1220 1.458,1221 1.38,1222 0.559,1223 1.393,1224 0.999,1225 0.902,1226 1.273,1227 1.337,1228 0.325,1229 1.342,1230 0.946,1231 0.826,1232 1.254,1233 1.29,1234 0.199,1235 1.307,1236 4.043,1238 5.38,1240 6.93,1242 8.584,1244 10.289,1246 2.025,1250 11.691,1252 5.559,1253 3.579,1262 29.343,1263 66.738,1264 169.841,1265 221.556,1266 232.311,1267 238.311,1268 242.311,1269 32.101,1270 7.582,1271 102.74,1272 102.74,1273 24,1274 12.554,1275 4.17,1276 3.248,1277 36.007,1278 91,1279 80,1280 0.196,1281 180.798,1282 300,1283 432.907,1284 21356,1286 17.389,1287 0.696,1288 0.574,1289 17.389,1290 14.341,1291 12.131,1292 0.433,1293 0.309,1294 8.565,1295 11.799,1296 8.341,1297 6.924,1298 12.131,1299 8.65,1300 11.065,1301 0.277,1302 0.164,1303 11.065,1304 6.578,1305 9.571,1306 0.174,1307 0.091,1308 9.571,1309 5,1310 8.555,1311 0.116,1312 0.049,1313 8.555,1314 3.649,1315 6.651,1316 0.072,1317 0.027,1318 6.651,1319 2.524,1320 0.306,1321 75.088,1322 0.23,1323 24.125,1324 0.54,1325 136,1326 325.893,1327 145.88,1328 329.663,1329 468.81,1330 310,1331 163,1332 364.479,1333 172.659,1334 373.775,1335 549.93,1336 353,1337 6.886}
{0 CHEMBL283311,1 1.675,2 10.13,3 3.015,4 9.09,5 95.146,6 8.714,7 0.808,8 3.751,9 3.857,10 3.504,11 3.392,12 4.948,13 3.36,14 4.205,15 4.327,16 3.882,17 3.794,18 5.398,19 3.729,20 4.374,21 4.529,22 3.909,23 3.882,24 5.449,25 3.789,26 4.426,27 4.601,28 3.865,29 3.816,30 5.564,31 3.686,32 4.359,33 4.587,34 3.599,35 3.634,36 5.346,37 3.482,38 4.12,39 4.345,40 3.352,41 3.489,42 5.002,43 3.33,44 3.983,45 4.169,46 3.335,47 3.346,48 5.051,49 3.275,50 4.002,51 4.215,52 3.231,53 3.302,54 5.061,55 3.232,56 0.055,57 0.566,58 6.223,59 3.09,60 10.268,61 3.384,62 0.204,63 0.896,64 12.965,65 5.91,66 18.982,67 6.576,68 0.115,69 1.048,70 16.218,71 6.986,72 14.101,73 7.784,74 0.331,75 1.071,76 19.588,77 7.955,78 33.392,79 8.984,80 0.319,81 1.018,82 20.719,83 6.764,84 34.487,85 7.646,86 0.112,87 0.756,88 18.341,89 6.876,90 15.356,91 8.127,92 0.123,93 0.666,94 11.637,95 4.519,96 15.693,97 5.385,98 0.143,99 0.69,100 12.934,101 4.609,102 17.986,103 5.434,104 5,105 37,106 0.296,107 0.623,108 0.737,109 0.841,110 0.863,111 0.882,112 3.188,113 0.934,114 -5.08,115 -4.98,116 -4.66,119 45.9,125 1,139 7,140 4,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 10,169 2,170 4,172 3,173 3,175 1,178 15,180 1,182 2,187 1,189 13,191 1,192 1,193 1,195 3,196 3,197 1,198 1,200 2,201 8,204 1,205 1,207 2,212 2,215 7,218 2,221 2,229 5,234 6,239 3,241 4,243 3,246 6,251 2,254 3,256 2,260 6,265 4,268 1,270 4,273 647,274 15.74,275 15.74,276 15.74,277 15.74,278 15.74,279 13.246,280 11.604,281 9.219,282 16.103,283 12.859,284 12.859,285 12.859,286 12.859,287 12.859,288 9.114,289 13.928,290 4.396,291 13.46,292 3.535,293 1.687,294 1.038,295 0.453,296 0.324,297 0.216,298 3.89,300 1,301 1,302 1,303 520,304 2.449,306 45.036,307 167.144,310 84.935,311 94.275,314 1.365,315 16.556,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49,327 233,328 4.638,329 4.439,330 6.78,331 4.163,332 3.188,333 4.608,334 3.272,335 11.108,336 3.111,337 4.406,338 3.291,339 6.183,340 3.911,341 2.922,342 4.336,344 9.226,345 2.893,346 3.729,347 2.927,348 5.345,349 3.296,350 2.381,351 3.166,353 6.853,354 2.174,355 3.621,356 2.699,357 5.218,358 3.16,359 2.237,360 3.042,362 6.518,363 2.047,364 3.406,365 2.298,366 5.063,367 2.923,368 1.98,369 2.788,371 5.79,372 1.865,373 3.118,374 2.065,375 4.755,376 2.671,377 1.719,378 2.427,380 4.963,381 1.628,382 3.054,383 1.643,384 4.413,385 2.618,386 1.618,387 2.232,389 4.364,390 1.618,391 2.894,392 1.618,393 3.622,394 2.401,395 1.409,396 2.083,398 3.017,399 1.393,400 2.311,401 1.445,402 3.589,403 1.838,404 0.876,405 1.232,407 2.13,408 0.836,409 2.202,410 0.878,411 3.286,412 1.717,413 0.75,414 1.067,415 1.782,416 0.717,417 1.802,418 0.842,419 3.123,420 1.423,421 0.534,422 0.666,423 1.304,424 0.465,425 1.146,426 0.448,427 2.69,428 0.732,429 -0.197,430 -0.25,431 -0.52,432 -0.181,433 1.021,434 -0.026,435 2.542,436 0.551,437 -0.386,438 -0.517,439 -0.995,440 -0.355,441 0.882,442 -0.296,443 2.273,444 0.384,445 -0.535,446 -0.662,448 -1.273,449 -0.489,450 0.798,451 -0.584,452 2.1,453 0.382,454 -0.618,455 -0.927,457 -1.597,458 -0.618,459 11.267,460 0.49,461 0.554,462 0.024,463 34.5,464 1.5,465 19.5,466 0.848,467 15,468 0.652,469 14.953,470 0.65,471 22.933,472 0.62,473 22.135,474 0.962,475 6.617,476 0.288,477 4.586,478 0.199,479 0.071,481 0.355,485 1.04,486 0.931,487 0.716,488 0.731,489 1.253,490 0.707,491 0.638,492 0.785,493 0.969,494 0.977,495 0.475,496 0.869,497 0.913,498 1.116,499 1.104,500 1.116,501 0.867,502 1.045,503 0.712,504 1.074,505 1.18,506 1.266,507 0.642,508 1.211,509 1.409,510 0.871,511 1.243,512 1.006,513 1.479,514 1.037,515 0.577,516 0.947,517 1.248,518 1.228,519 0.557,520 1.013,521 1.125,522 1.107,523 0.889,524 1.019,525 0.913,526 0.993,527 1.189,528 1.01,529 0.992,530 0.947,531 1.087,532 0.923,533 4.5,534 0.066,535 2.444,536 1.66,537 1.365,538 0.399,539 0.354,540 0.214,541 0.217,542 0.168,543 6247,544 17364,545 2.168,546 37.8,548 9,549 1,551 4,555 1.653,556 2.06,557 3.3,558 1.822,559 1,560 1,562 1,564 61.96,565 1.675,566 3.523,567 4.171,568 4.757,569 4.885,570 4.993,571 2.699,572 4.35,573 4.5,574 3.425,575 866.487,576 7.721,577 9867.77,578 1,579 1,580 1,581 1,582 192.75,583 1.302,584 4.469,585 0.173,586 0.005,587 0.066,588 0.046,589 0.046,590 0.019,591 0.018,592 0.01,593 0.011,594 0.009,595 0.403,596 0.17,597 1,598 0.503,599 107.974,600 -0.161,601 0.121,602 0.034,603 0.134,604 -0.299,605 0.108,606 0.283,607 0.236,608 -0.01,609 0.029,610 0.265,611 0.022,612 -0.104,613 -0.104,614 -0.095,615 -0.096,616 -0.116,617 -0.114,618 0.341,619 -0.101,620 -0.048,621 -0.179,622 0.296,623 -0.231,624 -0.265,625 0.132,626 -0.066,627 0.071,628 -0.35,629 -0.026,630 0.088,631 -0.049,632 0.02,633 -0.026,634 0.128,635 0.112,636 -0.075,637 -0.179,638 -0.014,639 -0.097,640 0.023,641 -0.033,642 -0.15,643 -0.039,644 -0.088,645 -0.034,646 -0.1,647 0.042,648 1.543,649 1.945,650 0.826,651 16.93,652 1.006,653 1.113,654 3.852,655 14.839,656 0.728,657 3.296,658 3.638,659 3.932,660 4.234,661 4.419,662 4.454,663 4.511,664 4.615,665 4.691,666 4.691,667 5.877,668 0.692,669 322.42,670 3.296,671 4.844,672 5.707,673 6.597,674 7.473,675 8.366,676 9.245,677 10.139,678 11.022,679 11.916,680 10.8,684 2,690 2,694 4,695 8,696 2,698 1,700 4,702 21,711 2,718 37,719 21,720 2,721 26,723 40,724 17,725 16,726 3,727 7,729 4,730 6,741 16,742 1,753 1,754 1,756 1,757 14,758 5,759 4,760 6,761 1,764 4,769 0.5,770 1,776 1,780 1,781 3,784 1,785 1,802 2,803 1,804 1,810 23,811 2,816 1,819 1,829 2.7,834 1,836 11.167,837 6.567,838 4.944,839 1.992,840 4.282,841 1.577,842 1.066,843 3.597,844 11.707,845 3.624,846 4.327,847 5.001,848 5.662,849 6.2,850 6.495,851 6.832,852 7.214,853 7.459,854 7.529,855 0.857,856 36,857 8.427,859 3.624,860 7.681,861 16.098,863 13.397,865 2.181,866 50.167,870 117.711,871 132.282,872 99.365,874 9.507,876 32.22,877 100.063,878 127.218,879 99.365,881 0.9,882 143.868,883 37.978,884 21.963,885 15.998,886 138.159,888 117.711,889 199.428,890 9.507,891 32.22,893 117.711,894 9.507,897 7.206,898 158.651,899 33.571,900 32.22,901 117.711,902 108.873,903 132.282,906 117.711,907 54.209,908 78.073,910 108.873,911 117.711,912 108.873,913 132.282,915 0.586,916 0.346,917 0.198,918 0.103,919 20,920 8,921 0.075,922 3,923 2,924 1.211,925 3.623,926 188.358,927 0.211,928 19,929 104.042,930 1,933 14.364,934 5.759,935 2.734,936 3.639,937 108.873,938 16.404,939 8.07,941 5.445,943 2.636,945 65.794,946 358.866,947 36.5,956 37.229,957 41.199,958 0.321,959 0.676,960 0.801,961 0.913,962 0.938,963 0.958,964 4.846,965 1.409,966 5.694,967 4.364,968 4.317,969 5.014,970 3.11,971 6.515,972 4.236,973 6.086,974 0.876,975 7.253,976 3.017,977 3.892,978 4.913,980 7.416,981 3.78,982 7.414,983 0.75,984 8.912,985 2.13,986 5.916,987 7.361,988 5.44,989 10.535,990 5.775,991 8.782,992 0.534,993 10.63,994 1.782,995 6.312,996 8.11,998 12.303,999 6.157,1000 10.181,1001 -0.197,1002 12.388,1003 1.304,1004 7.804,1005 10.013,1006 7.807,1007 14.936,1008 7.626,1009 11.605,1010 -0.386,1011 14.175,1012 -0.52,1013 8.595,1014 11.171,1016 17.073,1017 8.411,1018 13.048,1019 -0.535,1020 15.984,1021 -0.995,1022 9.871,1023 12.846,1024 10.177,1025 19.544,1026 9.666,1027 3.188,1028 -0.618,1029 17.81,1030 -1.273,1031 10.851,1032 14.198,1034 21.834,1035 10.637,1036 2.922,1037 11.108,1038 19.65,1039 -1.597,1040 12.039,1041 15.777,1042 12.548,1043 24.251,1044 11.806,1045 2.381,1046 9.226,1047 21.501,1048 4.608,1049 13.107,1050 17.217,1052 26.603,1053 12.86,1054 2.237,1055 6.853,1056 23.362,1057 4.336,1058 14.263,1059 18.755,1060 14.919,1061 29.005,1062 13.995,1063 1.98,1064 6.518,1065 25.231,1066 3.166,1067 15.371,1068 20.235,1070 31.384,1071 15.085,1072 1.719,1073 5.79,1074 27.106,1075 3.042,1076 16.516,1077 21.757,1078 17.29,1079 33.782,1080 16.209,1081 1.618,1082 4.963,1083 28.986,1084 2.788,1085 17.643,1086 23.254,1088 36.174,1089 17.315,1090 5806,1091 9824,1092 17.8,1093 26.932,1094 39.48,1095 42.372,1096 40.136,1097 39.26,1098 39.228,1099 55.295,1100 6.545,1101 114.108,1102 37.496,1103 5.474,1104 6.439,1105 6.467,1106 5.281,1107 5.188,1108 7.608,1109 6.545,1110 17.998,1111 5.111,1112 8.519,1113 1.518,1114 1.63,1115 1.544,1116 1.51,1117 1.509,1118 2.127,1119 0.252,1120 4.389,1121 1.442,1122 4.103,1123 4.121,1124 4.145,1125 4.058,1126 5.362,1127 4.045,1128 4.045,1129 4.065,1130 4.02,1131 3.922,1132 4.984,1133 3.946,1134 3.502,1135 3.541,1136 3.707,1137 3.473,1138 4.946,1139 3.423,1140 3.395,1141 3.452,1142 3.323,1143 3.202,1144 4.893,1145 3.215,1146 3.093,1147 3.197,1148 3.132,1149 2.982,1150 4.315,1151 2.961,1152 3.061,1153 3.117,1154 2.96,1155 2.844,1156 4.139,1157 2.815,1158 2.97,1159 3.032,1160 2.891,1161 2.727,1162 3.881,1163 2.763,1164 2.629,1165 2.691,1166 2.526,1167 2.515,1168 3.799,1169 2.506,1170 0.178,1171 0.171,1172 0.261,1173 0.16,1174 0.123,1175 4.638,1176 0.177,1177 4.439,1178 0.126,1179 6.78,1180 0.427,1181 4.163,1182 0.12,1183 3.188,1184 4.608,1185 3.272,1186 11.108,1187 3.111,1188 2.067,1189 2.051,1190 2.143,1191 2.112,1192 1.287,1193 2.128,1194 1.819,1195 1.789,1196 1.858,1197 1.993,1198 1.073,1199 1.953,1200 1.524,1201 1.501,1202 1.633,1203 1.678,1204 0.726,1205 1.681,1206 1.407,1207 1.377,1208 1.565,1209 1.55,1210 0.595,1211 1.567,1212 1.071,1213 1.028,1214 1.283,1215 1.356,1216 0.359,1217 1.335,1218 0.959,1219 0.906,1220 1.251,1221 1.297,1222 0.183,1223 1.28,1224 0.933,1225 0.837,1226 1.167,1227 1.19,1228 0.028,1229 1.222,1230 0.722,1231 0.657,1232 0.997,1233 0.951,1235 0.997,1236 3.97,1238 5.303,1239 2.398,1240 6.834,1241 4.727,1242 8.46,1243 6.843,1244 10.134,1250 11.53,1252 0.725,1255 1.718,1262 25.622,1263 61.96,1264 130.343,1265 154.343,1266 175.995,1267 180.75,1268 184.75,1269 26.338,1270 7.425,1271 90.96,1272 116.26,1273 23,1274 12.444,1275 4.459,1276 3.524,1277 32.045,1278 83,1279 69,1280 0.192,1281 160.224,1282 257.16,1283 382.708,1284 17595,1286 15.811,1287 0.687,1288 0.566,1289 16.165,1290 13.008,1291 11.204,1292 0.431,1293 0.311,1294 7.119,1295 10.399,1296 6.875,1297 5.687,1298 11.658,1299 8.098,1300 10.29,1301 0.278,1302 0.169,1303 10.867,1304 6.255,1305 8.727,1306 0.175,1307 0.094,1308 9.385,1309 4.713,1310 7.826,1311 0.115,1312 0.051,1313 8.517,1314 3.48,1315 6.067,1316 0.074,1317 0.031,1318 6.886,1319 2.502,1320 0.303,1321 74.064,1322 0.237,1323 22.635,1324 0.521,1325 126,1326 348.511,1327 158.319,1328 366.112,1329 512.44,1330 344,1331 150,1332 377.745,1333 178.022,1334 397.724,1335 584.22,1336 374,1337 4.91}
{0 CHEMBL283515,1 1.675,2 9.435,3 3.015,4 9.09,5 95.146,6 8.714,7 0.808,8 3.751,9 3.857,10 3.504,11 3.392,12 4.949,13 3.36,14 4.205,15 4.327,16 3.882,17 3.794,18 5.396,19 3.729,20 4.374,21 4.529,22 3.955,23 3.898,24 5.446,25 3.804,26 4.429,27 4.592,28 3.94,29 3.867,30 5.575,31 3.732,32 4.387,33 4.598,34 3.599,35 3.689,36 5.386,37 3.54,38 4.218,39 4.458,40 3.333,41 3.539,42 5.074,43 3.391,44 4.065,45 4.264,46 3.437,47 3.422,48 5.121,49 3.365,50 4.068,51 4.259,52 3.374,53 3.365,54 5.194,55 3.319,56 0.055,57 0.566,58 6.223,59 3.09,60 10.307,61 3.384,62 0.204,63 0.896,64 12.965,65 5.91,66 19.2,67 6.576,68 0.114,69 1.05,70 15.74,71 6.943,72 14.114,73 7.776,74 0.331,75 1.094,76 20.681,77 8.289,78 31.979,79 8.995,80 0.312,81 1.054,82 21.713,83 7.102,84 33.416,85 7.767,86 0.121,87 0.811,88 18.649,89 7.194,90 17.58,91 9.032,92 0.117,93 0.711,94 11.963,95 4.81,96 15.987,97 6.096,98 0.136,99 0.73,100 13.045,101 4.844,102 17.284,103 5.544,104 5,105 37,106 0.296,107 0.623,108 0.734,109 0.827,110 0.873,111 0.892,112 3.189,113 0.935,114 -5.08,115 -4.98,116 -4.66,119 45.9,125 1,139 7,140 4,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 10,169 2,170 4,172 3,173 3,175 1,178 14,180 1,182 2,187 1,189 13,191 1,192 1,193 1,195 3,196 3,197 1,198 1,200 2,201 10,204 1,205 1,207 2,212 2,215 8,218 2,221 2,229 6,234 7,239 3,241 4,243 3,246 9,251 3,254 1,256 3,260 7,265 5,270 5,273 635,274 15.792,275 15.792,276 15.792,277 15.792,278 15.792,279 13.279,280 11.604,281 9.264,282 16.144,283 12.853,284 12.853,285 12.853,286 12.853,287 12.853,288 9.099,289 13.928,290 4.379,291 13.439,292 3.535,293 1.687,294 1.058,295 0.527,296 0.27,297 0.162,298 3.89,300 1,301 1,302 1,303 483,304 2.449,306 43.372,307 159.133,310 82.075,311 89.637,314 1.285,315 16.472,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49,327 217,328 4.639,329 4.46,330 6.781,331 4.164,332 3.19,333 4.608,334 3.272,335 11.108,336 3.111,337 4.492,338 3.313,339 6.505,340 4.004,341 3.027,342 4.429,344 10.194,345 2.959,346 3.714,347 2.975,348 5.323,349 3.272,350 2.348,351 3.158,353 6.732,354 2.165,355 3.506,356 2.555,357 5.187,358 3.042,359 2.11,360 2.904,362 6.216,363 1.953,364 3.405,365 2.277,366 5.063,367 2.923,368 1.98,369 2.787,371 5.79,372 1.865,373 3.118,374 2.065,375 4.76,376 2.671,377 1.717,378 2.427,380 4.97,381 1.628,382 3.054,383 1.643,384 4.165,385 2.618,386 1.618,387 2.229,389 3.795,390 1.618,391 2.77,392 1.618,393 3.601,394 2.271,395 1.275,396 1.903,398 2.849,399 1.269,400 2.415,401 1.311,402 3.588,403 1.951,404 1.017,405 1.383,407 2.345,408 0.933,409 2.289,410 1.171,411 3.411,412 1.811,413 0.831,414 1.196,415 2.074,416 0.812,417 1.781,418 0.854,419 3.094,420 1.396,421 0.505,422 0.629,423 1.218,424 0.44,425 1.153,426 0.373,427 2.684,428 0.74,429 -0.191,430 -0.243,431 -0.499,432 -0.176,433 1.026,434 -0.026,435 2.497,436 0.555,437 -0.379,438 -0.508,439 -0.986,440 -0.348,441 0.882,442 -0.296,443 2.31,444 0.384,445 -0.535,446 -0.658,448 -1.278,449 -0.487,450 0.8,451 -0.584,452 2.11,453 0.382,454 -0.618,455 -0.927,457 -1.478,458 -0.618,459 11.267,460 0.49,461 0.538,462 0.023,463 34.5,464 1.5,465 19.5,466 0.848,467 15,468 0.652,469 15.142,470 0.658,471 22.933,472 0.62,473 22.321,474 0.97,475 6.633,476 0.288,477 4.587,478 0.199,479 0.071,481 0.355,485 1.04,486 0.931,487 0.716,488 0.731,489 1.249,490 0.707,491 0.638,492 0.785,493 0.969,494 0.977,495 0.489,496 0.869,497 0.899,498 1.062,499 1.011,500 1.022,501 0.847,502 0.973,503 0.726,504 1.075,505 1.325,506 1.337,507 0.612,508 1.201,509 1.409,510 0.978,511 1.464,512 1.213,513 1.49,514 1.182,515 0.508,516 0.893,517 0.988,518 1.07,519 0.541,520 0.985,521 0.955,522 0.986,523 0.596,524 0.823,525 0.813,526 0.837,527 1.371,528 1.209,529 0.959,530 1.036,531 1.003,532 0.972,533 4,534 0.087,535 2.667,536 1.91,537 1.165,538 0.406,539 0.34,540 0.254,541 0.219,542 0.128,543 5947,544 16608,545 2.168,546 37.8,548 9,549 1,551 4,555 1.656,556 2.06,557 3.198,558 1.822,559 1,560 1,562 1,564 61.96,565 1.675,566 3.523,567 4.151,568 4.682,569 4.939,570 5.047,571 2.616,572 4.176,573 4.502,574 3.326,575 841.543,576 7.739,577 9488.55,578 1,579 1,580 1,581 1,582 192.75,583 1.302,584 4.469,585 0.154,586 0.01,587 0.072,588 0.052,589 0.036,590 0.018,591 0.016,592 0.011,593 0.01,594 0.008,595 0.386,596 0.17,597 1,598 0.503,599 107.041,600 -0.161,601 0.121,602 0.034,603 0.134,604 -0.295,605 0.108,606 0.283,607 0.236,608 -0.01,609 0.029,610 0.25,611 0.022,612 -0.09,613 -0.049,615 0.001,616 -0.098,617 -0.041,618 0.324,619 -0.075,620 -0.075,621 -0.17,622 0.31,623 -0.22,624 -0.301,625 0.036,626 -0.264,627 -0.113,628 -0.402,629 -0.188,630 0.118,631 -0.038,632 0.081,633 0.004,634 0.129,635 0.133,636 0.031,637 -0.089,638 0.182,639 0.041,640 0.084,641 0.139,642 -0.139,643 -0.25,644 -0.085,645 -0.142,646 0.011,647 -0.039,648 1.544,649 1.962,650 0.826,651 15.505,652 1.006,653 1.113,654 3.852,655 14.839,656 0.728,657 3.296,658 3.638,659 3.951,660 4.263,661 4.431,662 4.466,663 4.543,664 4.654,665 4.727,666 4.718,667 5.58,668 0.692,669 322.42,670 3.296,671 4.844,672 5.714,673 6.608,674 7.489,675 8.387,676 9.272,677 10.171,678 11.058,679 11.957,680 10.8,684 2,690 2,694 4,695 8,696 2,698 1,700 4,702 21,711 2,718 37,719 21,720 2,721 26,723 40,724 17,725 16,726 3,727 7,729 4,730 6,741 16,742 1,753 1,754 1,756 1,757 14,758 5,759 4,760 6,761 1,764 4,769 0.5,770 1,776 1,780 1,781 3,784 1,785 1,802 2,803 1,804 1,810 23,811 2,816 1,819 1,829 2.7,834 1,836 11.167,837 6.567,838 4.972,839 1.999,840 4.32,841 1.582,842 1.066,843 3.597,844 11.745,845 3.624,846 4.327,847 5.016,848 5.681,849 6.201,850 6.491,851 6.846,852 7.228,853 7.479,854 7.564,855 1,856 37,857 8.428,859 3.625,860 7.681,861 16.098,863 13.402,865 2.181,866 50.167,870 117.711,871 132.282,872 99.365,874 9.507,876 32.22,877 100.063,878 127.218,879 99.365,881 0.9,882 143.868,883 37.978,884 21.963,885 15.998,886 138.159,888 117.711,889 199.428,890 9.507,891 32.22,893 117.711,894 9.507,897 7.206,898 158.651,899 33.571,900 32.22,901 117.711,902 108.873,903 132.282,906 117.711,907 54.209,908 78.073,910 108.873,911 117.711,912 108.873,913 132.282,915 0.585,916 0.351,917 0.205,918 0.104,919 20,920 8,921 0.075,922 3,923 2,924 1.211,925 3.576,926 190.998,927 0.211,928 19,929 102.042,930 1,933 14.364,934 5.759,935 2.623,936 3.641,937 108.873,938 16.305,939 8.088,941 5.462,943 2.662,945 65.794,946 358.866,947 36.5,956 37.229,957 41.199,958 0.321,959 0.676,960 0.797,961 0.899,962 0.948,963 0.969,964 4.846,965 1.275,966 5.7,967 3.795,968 4.317,969 5.014,970 3.11,971 6.538,972 4.236,973 6.086,974 1.017,975 7.27,976 2.849,977 3.892,978 4.913,980 7.489,981 3.78,982 7.417,983 0.831,984 8.943,985 2.345,986 5.927,987 7.369,988 5.44,989 10.625,990 5.784,991 8.789,992 0.505,993 10.679,994 2.074,995 6.347,996 8.14,998 12.447,999 6.187,1000 10.195,1001 -0.191,1002 12.456,1003 1.218,1004 7.843,1005 10.043,1006 7.807,1007 15.09,1008 7.656,1009 11.627,1010 -0.379,1011 14.262,1012 -0.499,1013 8.663,1014 11.224,1016 17.257,1017 8.463,1018 13.08,1019 -0.535,1020 16.089,1021 -0.986,1022 9.942,1023 12.899,1024 10.177,1025 19.734,1026 9.719,1027 3.19,1028 -0.618,1029 17.933,1030 -1.278,1031 10.944,1032 14.268,1034 22.036,1035 10.706,1036 3.027,1037 11.108,1038 19.79,1039 -1.478,1040 12.138,1041 15.849,1042 12.548,1043 24.454,1044 11.877,1045 2.348,1046 10.194,1047 21.656,1048 4.608,1049 13.221,1050 17.3,1052 26.808,1053 12.941,1054 2.11,1055 6.732,1056 23.529,1057 4.429,1058 14.382,1059 18.842,1060 14.919,1061 29.207,1062 14.08,1063 1.98,1064 6.216,1065 25.409,1066 3.158,1067 15.499,1068 20.329,1070 31.581,1071 15.175,1072 1.717,1073 5.79,1074 27.293,1075 2.904,1076 16.648,1077 21.854,1078 17.29,1079 33.974,1080 16.302,1081 1.618,1082 4.97,1083 29.181,1084 2.787,1085 17.781,1086 23.357,1088 36.358,1089 17.412,1090 5557,1091 9427,1092 17.8,1093 26.932,1094 39.48,1095 42.416,1096 40.339,1097 39.261,1098 39.233,1099 55.308,1100 6.545,1101 114.581,1102 37.504,1103 5.478,1104 6.46,1105 6.47,1106 5.285,1107 5.19,1108 7.608,1109 6.545,1110 17.999,1111 5.111,1112 8.473,1113 1.518,1114 1.631,1115 1.551,1116 1.51,1117 1.509,1118 2.127,1119 0.252,1120 4.407,1121 1.442,1122 4.106,1123 4.123,1124 4.158,1125 4.065,1126 5.362,1127 4.049,1128 4.043,1129 4.062,1130 4.022,1131 3.918,1132 4.984,1133 3.943,1134 3.482,1135 3.527,1136 3.645,1137 3.429,1138 4.946,1139 3.394,1140 3.412,1141 3.472,1142 3.331,1143 3.248,1144 4.888,1145 3.239,1146 3.123,1147 3.197,1148 3.227,1149 3.025,1150 4.331,1151 3.002,1152 3.074,1153 3.149,1154 2.963,1155 2.761,1156 4.14,1157 2.786,1158 2.911,1159 2.978,1160 2.804,1161 2.723,1162 3.913,1163 2.72,1164 2.665,1165 2.722,1166 2.539,1167 2.573,1168 3.753,1169 2.558,1170 0.178,1171 0.172,1172 0.261,1173 0.16,1174 0.123,1175 4.639,1176 0.177,1177 4.46,1178 0.126,1179 6.781,1180 0.427,1181 4.164,1182 0.12,1183 3.19,1184 4.608,1185 3.272,1186 11.108,1187 3.111,1188 2.067,1189 2.052,1190 2.138,1191 2.109,1192 1.295,1193 2.126,1194 1.818,1195 1.788,1196 1.857,1197 1.992,1198 1.066,1199 1.953,1200 1.506,1201 1.478,1202 1.655,1203 1.672,1204 0.71,1205 1.671,1206 1.434,1207 1.401,1208 1.577,1209 1.576,1210 0.62,1211 1.598,1212 1.077,1213 1.05,1214 1.257,1215 1.356,1216 0.346,1217 1.337,1218 0.958,1219 0.892,1220 1.235,1221 1.306,1222 0.171,1223 1.289,1224 0.911,1225 0.814,1226 1.163,1227 1.154,1228 0.061,1229 1.185,1230 0.697,1231 0.641,1232 0.996,1233 0.943,1235 0.989,1236 3.97,1238 5.303,1239 2.398,1240 6.841,1241 4.727,1242 8.477,1243 6.843,1244 10.163,1250 11.555,1252 0.721,1255 1.733,1262 25.622,1263 61.96,1264 130.343,1265 153.589,1266 173.24,1267 182.75,1268 186.75,1269 26.51,1270 7.425,1271 90.96,1272 116.26,1273 23,1274 12.482,1275 4.459,1276 3.524,1277 31.922,1278 79,1279 68,1280 0.203,1281 160.224,1282 257.16,1283 382.708,1284 17517,1286 15.811,1287 0.687,1288 0.566,1289 16.165,1290 13.008,1291 11.22,1292 0.432,1293 0.312,1294 7.125,1295 10.431,1296 6.884,1297 5.694,1298 11.674,1299 8.104,1300 10.205,1301 0.276,1302 0.167,1303 10.756,1304 6.191,1305 8.765,1306 0.172,1307 0.094,1308 9.472,1309 4.81,1310 8.002,1311 0.114,1312 0.052,1313 8.791,1314 3.67,1315 6.113,1316 0.074,1317 0.031,1318 6.955,1319 2.561,1320 0.315,1321 74.165,1322 0.237,1323 22.407,1324 0.562,1325 126,1326 348.511,1327 158.319,1328 365.918,1329 513.02,1330 344,1331 151,1332 378.745,1333 180.692,1334 398.442,1335 587.34,1336 375,1337 4.638}
{0 CHEMBL283518,1 1.638,2 10.84,3 1.846,4 3.407,5 97.588,6 7.565,7 0.63,8 3.922,9 4.054,10 3.489,11 3.366,12 5.117,13 3.381,14 4.403,15 4.587,16 3.829,17 3.716,18 5.552,19 3.716,20 4.522,21 4.682,22 3.948,23 3.874,24 5.659,25 3.863,26 4.693,27 4.886,28 3.899,29 3.926,30 5.839,31 3.862,32 4.823,33 5.089,34 3.625,35 3.868,36 5.787,37 3.757,38 4.619,39 4.891,40 3.451,41 3.711,42 5.54,43 3.579,44 4.483,45 4.76,46 3.368,47 3.575,48 5.38,49 3.466,50 4.352,51 4.611,52 3.407,53 3.47,54 5.332,55 3.387,56 0.09,57 0.698,58 9.301,59 3.4,60 12.478,61 4.689,62 0.368,63 1.017,64 17.334,65 5.822,66 31.266,67 7.88,68 0.303,69 1.203,70 18.178,71 6.19,72 20.377,73 8.826,74 0.39,75 1.319,76 22.597,77 7.956,78 38.994,79 11.312,80 0.636,81 1.286,82 29.65,83 7.668,84 58.712,85 12.08,86 0.409,87 1.061,88 23.849,89 7.437,90 39.913,91 11.3,92 0.332,93 0.912,94 21.087,95 6.201,96 34.043,97 9.625,98 0.276,99 0.805,100 18.128,101 5.836,102 28.366,103 8.769,104 30,105 38,106 0.283,107 0.652,108 0.79,109 0.832,110 0.839,111 0.847,112 3.267,113 0.851,114 -3.15,115 -3.14,116 -3.02,119 37.8,120 1,124 2,125 1,139 3,140 3,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 4,169 2,170 6,172 3,173 3,175 4,178 4,180 1,181 1,182 6,187 3,189 1,191 1,192 1,193 6,195 3,196 5,197 1,198 5,200 2,201 2,204 3,205 1,210 1,212 1,215 3,218 1,221 3,224 2,225 1,226 2,228 1,229 5,231 2,234 3,241 2,245 1,246 7,250 1,251 2,253 1,256 2,259 1,260 4,265 1,270 1,273 857,274 16.826,275 16.826,276 16.826,277 16.826,278 16.826,279 14.692,280 24.127,281 9.662,282 17.462,283 13.154,284 13.154,285 13.154,286 13.154,287 13.154,288 9.83,289 34.958,290 4.371,291 13.998,292 3.854,293 1.715,294 0.912,295 0.673,296 0.628,297 0.584,298 3.946,300 1,301 1,302 1,303 573,304 2.915,307 214.957,311 113.468,314 1.539,315 22.971,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 55,327 271,328 4.654,329 3.315,330 6.835,331 4.185,332 3.212,333 4.616,334 0.86,335 11.231,336 3.13,337 4.265,338 3.201,339 6.165,340 3.847,341 2.899,342 3.91,343 0.86,344 9.125,345 2.744,346 3.909,347 2.767,348 5.803,349 3.508,350 2.552,351 3.411,352 0.657,353 7.871,354 2.437,355 3.556,356 2.475,357 5.249,358 3.19,359 2.248,360 2.871,362 6.62,363 2.11,364 3.452,365 2.195,366 5.094,367 2.973,368 2.038,369 2.857,371 5.899,372 1.9,373 3.372,374 2.159,375 5.005,376 2.896,377 1.97,378 2.694,380 5.787,381 1.817,382 2.919,383 2.045,384 4.367,385 2.521,386 1.609,387 2.057,389 4.126,390 1.461,391 2.707,392 1.637,393 4.243,394 2.315,395 1.362,396 1.778,398 3.546,399 1.294,400 2.097,401 1.177,402 3.377,403 1.814,404 0.89,405 1.039,407 2.01,408 0.818,409 1.849,410 0.948,411 3.04,412 1.543,413 0.639,414 0.751,415 1.201,416 0.572,417 1.484,418 0.922,419 2.84,420 1.205,421 0.35,422 0.383,423 0.493,424 0.297,425 1.343,426 0.345,427 2.812,428 0.977,429 0.054,430 0.067,431 0.12,432 0.05,433 1.188,434 0.11,435 2.616,436 0.836,437 -0.116,438 -0.142,439 -0.3,440 -0.11,441 0.936,442 -0.042,443 2.487,444 0.511,445 -0.406,446 -0.513,448 -0.857,449 -0.37,450 0.748,451 -0.295,452 2.29,453 0.387,454 -0.528,455 -0.628,457 -1.19,458 -0.477,459 11.567,460 0.463,461 0.644,462 0.026,463 35.5,464 1.42,465 18.5,466 0.74,467 17,468 0.68,469 17.881,470 0.715,471 27.433,472 0.61,473 26.145,474 1.046,475 7.286,476 0.291,477 4.743,478 0.19,479 0.199,481 0.389,485 1.057,486 1.396,487 0.815,488 1.12,489 1.213,490 0.938,491 1.146,492 0.825,493 0.743,494 0.746,495 0.725,496 0.697,497 0.983,498 1.388,499 0.926,500 1.154,501 0.873,502 1.041,503 0.782,504 1.292,505 1.094,506 1.402,507 0.689,508 1.334,509 1.254,510 0.892,511 1.244,512 0.908,513 1.336,514 1.04,515 0.754,516 0.868,517 1.026,518 1.024,519 0.862,520 1.069,521 0.873,522 0.847,523 0.925,524 0.874,525 0.932,526 0.895,527 0.673,528 0.959,529 0.715,530 0.977,531 0.604,532 0.879,533 5.5,534 0.169,535 3.111,536 2.188,537 1.942,538 0.764,539 0.344,540 0.389,541 0.246,542 0.212,543 6987,544 20461,545 2.015,546 44.4,547 3,548 11,550 1,551 5,555 1.677,556 1.852,557 3.384,558 2.647,559 1,560 1,564 73.698,565 1.638,566 3.777,567 4.58,568 4.819,569 4.864,570 4.908,571 2.855,572 4.564,573 4.617,574 3.526,575 1057.89,576 7.969,577 12878.2,579 1,581 1,582 247.133,583 1.516,584 4.555,585 0.204,586 0.01,587 0.082,588 0.052,589 0.052,590 0.028,591 0.015,592 0.018,593 0.011,594 0.01,595 0.482,596 0.17,597 1,598 0.942,599 121.097,600 -0.15,601 -0.142,602 0.027,603 -0.041,604 -0.255,605 0.027,606 -0.003,607 0.268,608 0.197,609 0.281,610 0.17,611 0.266,612 -0.032,613 -0.216,614 -0.046,615 -0.102,616 -0.056,617 -0.075,618 0.099,619 -0.196,620 -0.189,621 -0.375,622 0.172,623 -0.357,624 -0.243,625 0.056,626 -0.239,627 0.017,628 -0.308,629 -0.087,630 0.006,631 0.058,632 -0.05,633 -0.035,634 -0.032,635 -0.053,636 -0.072,637 0.061,638 0.067,639 0.108,640 -0.083,641 0.121,642 0.169,643 -0.06,644 0.271,645 0.042,646 0.254,647 0.156,648 1.548,649 1.982,650 0.64,651 20.874,652 1.01,653 1.14,654 1.916,655 3.672,656 0.651,657 3.332,658 3.664,659 3.951,660 4.205,661 4.394,662 4.431,663 4.431,664 4.522,665 4.615,666 4.644,667 6.263,668 0.628,669 340.43,670 3.332,671 4.875,672 5.733,673 6.619,674 7.491,675 8.38,676 9.256,677 10.146,678 11.025,679 11.917,680 13.3,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 2,718 45,719 17,720 1,721 27,723 47,724 17,725 13,726 3,727 3,729 3,730 4,734 1,741 13,742 4,753 1,754 1,757 20,758 8,759 5,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 3,810 25,811 2,816 1,817 1,818 2,829 4.4,834 2,836 13.5,837 8.933,838 5.639,839 2.303,840 3.369,841 1.469,842 0.983,843 4.992,844 10.547,845 3.597,846 4.263,847 4.898,848 5.503,849 6.067,850 6.336,851 6.61,852 6.959,853 7.338,854 7.464,855 1,856 42,857 9.135,859 3.755,860 7.78,861 17.171,863 13.428,865 2.28,866 57,870 176.567,871 98.303,872 134.162,874 22,877 98.303,878 198.566,879 134.162,880 30.591,881 2.106,882 94.223,883 80.138,884 54.95,885 4.227,886 164.795,888 176.567,889 232.465,890 22,893 178.282,894 22,897 21.877,898 140.505,899 68.367,901 176.567,902 156.161,903 98.303,906 176.567,907 30.236,908 68.067,909 18.011,910 138.151,911 176.567,912 156.161,913 98.303,915 0.581,916 0.358,917 0.197,918 0.101,919 18,920 9,921 0.106,922 5,923 1,924 1.125,925 3.626,926 203.71,927 0.125,928 16,929 114.096,933 17.359,934 7.19,935 3.488,936 1.221,937 156.161,938 7.405,939 12.482,943 4.651,945 83.805,946 431.031,947 35.5,956 45.451,957 51.315,958 0.298,959 0.688,960 0.834,961 0.878,962 0.886,963 0.894,964 4.83,965 1.362,966 5.733,967 4.126,968 4.344,969 4.949,970 1.573,971 6.567,972 4.233,973 6.067,974 0.89,975 7.313,976 3.546,977 4.007,978 4.913,980 7.526,981 3.873,982 7.399,983 0.639,984 8.989,985 2.01,986 5.964,987 7.258,988 1.27,989 10.622,990 5.773,991 8.77,992 0.35,993 10.722,994 1.201,995 6.415,996 8.015,998 12.391,999 6.207,1000 10.169,1001 0.054,1002 12.492,1003 0.493,1004 7.862,1005 9.867,1006 1.022,1007 15.031,1008 7.612,1009 11.59,1010 -0.116,1011 14.287,1012 0.12,1013 8.682,1014 11.007,1016 17.156,1017 8.413,1018 13.029,1019 -0.406,1020 16.101,1021 -0.3,1022 9.933,1023 12.659,1024 0.818,1025 19.641,1026 9.633,1027 3.212,1028 -0.528,1029 17.932,1030 -0.857,1031 10.928,1032 13.993,1034 21.925,1035 10.606,1036 2.899,1037 11.231,1038 19.775,1039 -1.19,1040 12.105,1041 15.562,1042 0.65,1043 24.357,1044 11.757,1045 2.552,1046 9.125,1047 21.629,1048 4.616,1049 13.181,1050 16.992,1052 26.711,1053 12.811,1054 2.248,1055 7.871,1056 23.492,1057 3.91,1058 14.333,1059 18.528,1060 0.511,1061 29.127,1062 13.939,1063 2.038,1064 6.62,1065 25.363,1066 3.411,1067 15.447,1068 20.004,1070 31.513,1071 15.031,1072 1.97,1073 5.899,1074 27.241,1075 2.871,1076 16.594,1077 21.529,1078 0.399,1079 33.925,1080 16.154,1081 1.609,1082 5.787,1083 29.124,1084 2.857,1085 17.727,1086 23.03,1088 36.326,1089 17.265,1090 6887,1091 11903,1092 17.512,1093 29.273,1094 39.656,1095 40.682,1096 42.111,1097 39.544,1098 39.649,1099 52.866,1100 4.755,1101 116.059,1102 37.258,1103 5.487,1104 5.315,1105 6.388,1106 5.26,1107 5.212,1108 7.616,1109 1.72,1110 18.467,1111 5.13,1112 14.354,1113 1.469,1114 1.507,1115 1.56,1116 1.465,1117 1.468,1118 1.958,1119 0.176,1120 4.298,1121 1.38,1122 4.073,1123 4.113,1124 4.049,1125 3.96,1126 5.321,1127 3.976,1128 3.916,1129 3.937,1130 3.871,1131 3.817,1132 4.982,1133 3.826,1134 3.553,1135 3.619,1136 3.484,1137 3.362,1138 4.94,1139 3.386,1140 3.302,1141 3.372,1142 3.174,1143 3.04,1144 4.805,1145 3.06,1146 3.247,1147 3.314,1148 3.051,1149 2.955,1150 4.497,1151 2.961,1152 3.173,1153 3.268,1154 3.05,1155 2.941,1156 4.401,1157 2.948,1158 3.078,1159 3.18,1160 2.904,1161 2.81,1162 4.178,1163 2.823,1164 3.023,1165 3.152,1166 2.801,1167 2.703,1168 4.026,1169 2.72,1170 0.172,1171 0.123,1172 0.253,1173 0.155,1174 0.119,1175 4.654,1176 0.171,1177 3.315,1178 0.032,1179 6.835,1180 0.416,1181 4.185,1182 0.116,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.13,1188 1.998,1189 1.967,1190 2.062,1191 2.133,1192 1.228,1193 2.112,1194 1.87,1195 1.852,1196 1.959,1197 1.996,1198 1.063,1199 1.985,1200 1.481,1201 1.421,1202 1.636,1203 1.715,1204 0.736,1205 1.699,1206 1.236,1207 1.164,1208 1.576,1209 1.537,1210 0.575,1211 1.547,1212 1.191,1213 1.115,1214 1.57,1215 1.523,1216 0.569,1217 1.539,1218 1.153,1219 1.064,1220 1.512,1221 1.421,1222 0.558,1223 1.451,1224 1.01,1225 0.915,1226 1.272,1227 1.347,1228 0.2,1229 1.342,1230 0.946,1231 0.826,1232 1.253,1233 1.314,1234 0.152,1235 1.314,1236 4.007,1238 5.333,1240 6.868,1242 8.504,1244 10.192,1246 5.174,1250 11.604,1252 0.564,1253 3.341,1254 10.558,1262 28.246,1263 73.698,1264 169.96,1265 206.114,1266 216.869,1267 218.869,1268 220.869,1269 36.203,1270 7.178,1271 121.2,1272 121.2,1273 18,1274 12.447,1275 4.17,1276 3.248,1277 41.955,1278 95,1279 90,1280 0.219,1281 176.999,1282 295.34,1283 423.638,1284 12143,1286 17.974,1287 0.719,1288 0.573,1289 17.974,1290 14.329,1291 12.028,1292 0.445,1293 0.284,1294 7.493,1295 11.389,1296 7.219,1297 6.069,1298 12.028,1299 7.662,1300 10.681,1301 0.281,1302 0.145,1303 10.681,1304 5.497,1305 9.183,1306 0.18,1307 0.078,1308 9.183,1309 4.001,1310 7.87,1311 0.119,1312 0.04,1313 7.87,1314 2.655,1315 5.881,1316 0.074,1317 0.021,1318 5.881,1319 1.66,1320 0.346,1321 76.703,1322 0.239,1323 24.287,1324 0.595,1325 130,1326 407.364,1327 145.637,1328 391.823,1329 541.03,1330 368,1331 154,1332 404.57,1333 169.582,1334 413.061,1335 600.58,1336 384,1337 8.153}
{0 CHEMBL284544,1 1.591,2 10.16,3 2.884,4 8.319,5 97.12,6 7.379,7 0.63,8 3.931,9 4.059,10 3.481,11 3.409,12 5.101,13 3.408,14 4.427,15 4.61,16 3.822,17 3.771,18 5.541,19 3.751,20 4.559,21 4.724,22 3.931,23 3.94,24 5.634,25 3.908,26 4.735,27 4.925,28 3.885,29 4.006,30 5.823,31 3.922,32 4.877,33 5.142,34 3.66,35 3.966,36 5.802,37 3.833,38 4.725,39 5.003,40 3.547,41 3.811,42 5.578,43 3.677,44 4.577,45 4.824,46 3.534,47 3.684,48 5.539,49 3.597,50 4.48,51 4.718,52 3.503,53 3.62,54 5.464,55 3.532,56 0.058,57 0.694,58 9.688,59 3.797,60 11.481,61 5.14,62 0.322,63 1.032,64 17.995,65 6.593,66 30.042,67 8.773,68 0.171,69 1.228,70 19.45,71 7.23,72 16.721,73 10.022,74 0.305,75 1.381,76 24.033,77 9.082,78 37.649,79 12.575,80 0.546,81 1.405,82 30.899,83 9.181,84 55.109,85 14.062,86 0.296,87 1.158,88 26.783,89 8.835,90 37.071,91 13.256,92 0.403,93 1.005,94 23.001,95 7.043,96 39.183,97 10.203,98 0.266,99 0.944,100 20.237,101 6.72,102 28.184,103 9.778,104 30,105 38,106 0.273,107 0.619,108 0.766,109 0.814,110 0.843,111 0.866,112 3.267,113 0.879,114 -4.13,115 -4.08,116 -3.86,119 39.1,120 1,121 2,124 2,139 3,140 4,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 8,169 2,170 8,172 3,173 3,175 1,178 9,180 1,182 9,187 1,189 8,191 1,192 1,193 8,195 3,196 3,197 1,198 3,200 2,201 6,204 3,205 1,206 1,207 5,212 2,215 5,218 2,221 5,226 3,229 4,231 3,233 1,234 6,239 2,241 3,243 2,245 1,246 5,251 2,254 2,256 2,259 2,260 2,262 1,263 1,265 2,270 2,273 853,274 16.826,275 16.826,276 16.826,277 16.826,278 16.826,279 14.692,280 20.032,281 9.666,282 17.41,283 13.154,284 13.154,285 13.154,286 13.154,287 13.154,288 9.83,289 22.497,290 4.382,291 13.912,292 3.933,293 1.921,294 1.066,295 0.788,296 0.614,297 0.484,298 3.946,300 1,301 1,302 1,303 536,304 2.915,307 209.768,311 109.065,314 1.446,315 21.925,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54.5,327 254,328 4.654,329 3.314,330 6.835,331 4.186,332 3.212,333 4.616,334 0.86,335 11.231,336 3.133,337 4.267,338 3.175,339 6.174,340 3.874,341 2.905,342 3.911,343 0.86,344 9.174,345 2.812,346 3.903,347 2.728,348 5.797,349 3.496,350 2.537,351 3.408,353 7.845,354 2.433,355 3.545,356 2.675,357 5.221,358 3.164,359 2.24,360 2.862,362 6.492,363 2.063,364 3.454,365 2.221,366 5.097,367 2.99,368 2.054,369 2.855,371 5.916,372 1.915,373 3.386,374 2.065,375 5.009,376 2.904,377 1.982,378 2.708,380 5.795,381 1.823,382 2.927,383 1.991,384 4.421,385 2.588,386 1.623,387 2.065,389 4.305,390 1.558,391 2.703,392 1.598,393 4.223,394 2.299,395 1.343,396 1.774,398 3.51,399 1.28,400 2.072,401 1.25,402 3.349,403 1.782,404 0.823,405 0.996,407 1.876,408 0.785,409 1.865,410 0.918,411 3.044,412 1.598,413 0.711,414 0.793,415 1.275,416 0.625,417 1.484,418 0.86,419 2.836,420 1.204,421 0.341,422 0.377,423 0.488,424 0.291,425 1.343,426 0.337,427 2.81,428 0.994,429 0.054,430 0.067,431 0.12,432 0.05,433 1.188,434 0.111,435 2.642,436 0.837,437 -0.116,438 -0.142,439 -0.3,440 -0.11,441 0.935,442 -0.08,443 2.516,444 0.515,445 -0.41,446 -0.517,448 -0.855,449 -0.375,450 0.742,451 -0.292,452 2.233,453 0.392,454 -0.527,455 -0.627,457 -1.183,458 -0.479,459 11.667,460 0.467,461 0.644,462 0.026,463 34.5,464 1.38,465 18,466 0.72,467 16.5,468 0.66,469 19.333,470 0.773,471 27.333,472 0.594,473 25.009,474 1,475 6.927,476 0.277,477 5.102,478 0.204,479 0.197,481 0.386,485 1.002,486 1.323,487 0.825,488 1.117,489 1.171,490 0.958,491 1.071,492 0.765,493 0.746,494 0.77,495 0.671,496 0.733,497 1.037,498 1.283,499 0.941,500 1.133,501 0.889,502 1.038,503 0.861,504 1.273,505 1.15,506 1.387,507 0.776,508 1.345,509 0.975,510 0.922,511 1.18,512 0.999,513 1.173,514 1.09,515 0.758,516 0.927,517 0.88,518 0.992,519 0.772,520 0.961,521 1.278,522 0.833,523 1.012,524 0.86,525 1.12,526 0.893,527 0.968,528 1.119,529 0.925,530 1.094,531 0.839,532 1.028,533 5.5,534 0.136,535 3.111,536 2.188,537 1.862,538 0.819,539 0.427,540 0.38,541 0.287,542 0.217,543 6747,544 19007,545 2.015,546 45.7,547 7,548 9,550 1,551 4,555 1.681,556 1.852,557 3.298,558 1.776,559 1,560 1,564 73.177,565 1.591,566 3.602,567 4.458,568 4.735,569 4.909,570 5.04,571 2.713,572 4.484,573 4.618,574 3.446,575 1033.72,576 7.987,577 12491.4,579 1,581 1,582 254.084,583 1.516,584 4.555,585 0.204,586 0.009,587 0.082,588 0.052,589 0.05,590 0.029,591 0.016,592 0.015,593 0.011,594 0.01,595 0.479,596 0.17,597 1,598 0.942,599 120.291,600 -0.107,601 -0.091,602 0.034,603 -0.03,604 -0.203,605 0.026,606 0.052,607 0.314,608 0.198,609 0.27,610 0.212,611 0.248,612 -0.13,613 -0.144,614 -0.048,615 -0.07,616 -0.089,617 -0.048,618 0.015,619 -0.196,620 -0.241,621 -0.345,622 0.077,623 -0.353,624 -0.091,625 0.044,626 -0.198,627 -0.047,628 -0.209,629 -0.118,630 0.011,631 -0.04,632 0.102,633 0.008,634 0.042,635 0.065,636 -0.118,637 0.09,638 -0.002,639 0.114,640 -0.118,641 0.083,642 0.022,643 -0.184,644 0.053,645 -0.086,646 0.036,647 -0.026,648 1.536,649 2.01,650 0.64,651 20.125,652 1.005,653 1.135,654 2.902,655 8.423,656 0.653,657 3.332,658 3.664,659 3.951,660 4.205,661 4.407,662 4.466,663 4.466,664 4.522,665 4.615,666 4.673,667 5.998,668 0.625,669 339.44,670 3.332,671 4.875,672 5.733,673 6.619,674 7.492,675 8.382,676 9.26,677 10.152,678 11.032,679 11.925,680 10.9,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 2,718 46,719 17,720 1,721 27,723 48,724 18,725 13,726 3,727 3,729 3,730 4,734 1,739 2,741 13,742 5,753 1,754 1,757 21,758 7,759 4,760 7,764 5,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 3,810 25,811 2,816 2,818 2,829 4.3,834 2,836 13.5,837 9.183,838 5.639,839 2.49,840 3.427,841 1.478,842 0.978,843 5.02,844 10.605,845 3.597,846 4.263,847 4.898,848 5.503,849 6.071,850 6.346,851 6.619,852 6.956,853 7.342,854 7.482,855 0.857,856 42,857 9.156,859 3.767,860 7.74,861 17.355,863 13.721,865 2.24,866 56,869 1,870 200.109,871 101.695,872 116.151,874 22,877 101.695,878 222.109,879 116.151,880 30.591,881 5.069,882 94.223,883 62.128,884 55.379,885 4.227,886 188.338,888 200.109,889 217.846,890 22,893 201.824,894 22,897 24.841,898 140.934,899 50.357,901 200.109,902 138.151,903 101.695,906 200.109,907 33.628,908 68.067,910 138.151,911 200.109,912 138.151,913 101.695,915 0.581,916 0.356,917 0.194,918 0.102,919 18,920 9,921 0.104,922 5,923 1,924 1.125,925 3.6,926 205.324,927 0.125,928 16,929 116.096,933 17.396,934 7.214,935 3.502,936 1.273,937 138.151,938 7.596,939 12.571,943 5.295,945 65.794,946 439.955,947 35.5,956 46.232,957 52.232,958 0.288,959 0.652,960 0.807,961 0.857,962 0.889,963 0.912,964 4.83,965 1.343,966 5.733,967 4.305,968 4.344,969 4.949,970 1.376,971 6.567,972 4.247,973 6.067,974 0.823,975 7.313,976 3.51,977 4.007,978 4.913,980 7.526,981 3.886,982 7.399,983 0.711,984 8.989,985 1.876,986 5.964,987 7.258,988 1.159,989 10.623,990 5.801,991 8.77,992 0.341,993 10.722,994 1.275,995 6.415,996 8.015,998 12.392,999 6.234,1000 10.169,1001 0.054,1002 12.492,1003 0.488,1004 7.862,1005 9.867,1006 0.963,1007 15.034,1008 7.652,1009 11.59,1010 -0.116,1011 14.287,1012 0.12,1013 8.682,1014 11.007,1016 17.159,1017 8.455,1018 13.029,1019 -0.41,1020 16.102,1021 -0.3,1022 9.934,1023 12.659,1024 0.787,1025 19.646,1026 9.683,1027 3.212,1028 -0.527,1029 17.932,1030 -0.855,1031 10.928,1032 13.993,1034 21.929,1035 10.658,1036 2.905,1037 11.231,1038 19.775,1039 -1.183,1040 12.106,1041 15.562,1042 0.634,1043 24.362,1044 11.814,1045 2.537,1046 9.174,1047 21.63,1048 4.616,1049 13.182,1050 16.992,1052 26.716,1053 12.869,1054 2.24,1055 7.845,1056 23.493,1057 3.911,1058 14.336,1059 18.528,1060 0.504,1061 29.131,1062 14,1063 2.054,1064 6.492,1065 25.364,1066 3.408,1067 15.45,1068 20.005,1070 31.517,1071 15.092,1072 1.982,1073 5.916,1074 27.242,1075 2.862,1076 16.597,1077 21.53,1078 0.395,1079 33.929,1080 16.217,1081 1.623,1082 5.795,1083 29.126,1084 2.855,1085 17.731,1086 23.03,1088 36.329,1089 17.327,1090 6663,1091 11301,1092 17.512,1093 30.029,1094 39.652,1095 40.686,1096 42.086,1097 39.577,1098 39.649,1099 52.866,1100 3.44,1101 116.055,1102 37.537,1103 5.496,1104 5.314,1105 6.403,1106 5.261,1107 5.212,1108 7.616,1109 1.72,1110 18.468,1111 5.133,1112 14.243,1113 1.469,1114 1.507,1115 1.559,1116 1.466,1117 1.468,1118 1.958,1119 0.127,1120 4.298,1121 1.39,1122 4.077,1123 4.115,1124 4.051,1125 3.974,1126 5.321,1127 3.986,1128 3.926,1129 3.945,1130 3.878,1131 3.838,1132 4.982,1133 3.845,1134 3.563,1135 3.625,1136 3.486,1137 3.399,1138 4.914,1139 3.412,1140 3.334,1141 3.386,1142 3.197,1143 3.105,1144 4.802,1145 3.112,1146 3.257,1147 3.334,1148 3.084,1149 3.006,1150 4.602,1151 3.02,1152 3.158,1153 3.253,1154 3.045,1155 2.914,1156 4.213,1157 2.929,1158 3.125,1159 3.217,1160 2.885,1161 2.863,1162 4.139,1163 2.852,1164 3.023,1165 3.152,1166 2.81,1167 2.705,1168 4.024,1169 2.723,1170 0.172,1171 0.123,1172 0.253,1173 0.155,1174 0.119,1175 4.654,1176 0.171,1177 3.314,1178 0.032,1179 6.835,1180 0.416,1181 4.186,1182 0.116,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.133,1188 2.008,1189 1.979,1190 2.087,1191 2.135,1192 1.315,1193 2.117,1194 1.892,1195 1.874,1196 1.98,1197 2.003,1198 1.119,1199 1.998,1200 1.515,1201 1.46,1202 1.691,1203 1.72,1204 0.851,1205 1.715,1206 1.276,1207 1.209,1208 1.592,1209 1.571,1210 0.586,1211 1.575,1212 1.223,1213 1.152,1214 1.569,1215 1.503,1216 0.561,1217 1.532,1218 1.13,1219 1.036,1220 1.527,1221 1.421,1222 0.555,1223 1.459,1224 1.085,1225 1,1226 1.341,1227 1.371,1228 0.366,1229 1.363,1230 0.946,1231 0.826,1232 1.261,1233 1.332,1234 0.137,1235 1.339,1236 4.007,1238 5.333,1240 6.868,1242 8.504,1244 10.193,1246 5.312,1250 11.649,1252 1.562,1254 10.743,1262 28.751,1263 73.177,1264 165.713,1265 205.064,1266 217.819,1267 225.819,1268 231.819,1269 37.51,1270 7.178,1271 109.17,1272 109.17,1273 18,1274 12.454,1275 4.17,1276 3.248,1277 41.794,1278 91,1279 83,1280 0.229,1281 179.797,1282 301.64,1283 430.465,1284 12143,1286 17.974,1287 0.719,1288 0.581,1289 17.974,1290 14.536,1291 12.028,1292 0.445,1293 0.293,1294 7.763,1295 11.452,1296 7.471,1297 6.266,1298 12.028,1299 7.912,1300 10.681,1301 0.281,1302 0.151,1303 10.681,1304 5.752,1305 9.198,1306 0.18,1307 0.084,1308 9.198,1309 4.286,1310 7.811,1311 0.118,1312 0.044,1313 7.811,1314 2.932,1315 5.851,1316 0.072,1317 0.023,1318 5.851,1319 1.869,1320 0.357,1321 76.249,1322 0.239,1323 24.115,1324 0.632,1325 130,1326 393.031,1327 143.917,1328 378.921,1329 523.51,1330 356,1331 154,1332 390.88,1333 167.308,1334 399.812,1335 580.43,1336 372,1337 6.114}
{0 CHEMBL284839,1 1.604,2 13.333,3 3.525,4 12.428,5 115.773,6 7.565,7 0.563,8 4.085,9 4.199,10 3.64,11 3.579,12 5.295,13 3.579,14 4.567,15 4.723,16 3.963,17 3.935,18 5.809,19 3.908,20 4.777,21 4.955,22 4.011,23 4.069,24 5.887,25 4.02,26 4.889,27 5.095,28 3.917,29 4.072,30 5.983,31 3.99,32 4.888,33 5.118,34 3.875,35 4.055,36 5.935,37 3.947,38 4.883,39 5.133,40 3.83,41 3.992,42 5.85,43 3.89,44 4.778,45 5.002,46 3.772,47 3.934,48 5.785,49 3.842,50 4.795,51 5.047,52 3.647,53 3.876,54 5.826,55 3.766,56 0.107,57 0.771,58 10.884,59 4.731,60 18.539,61 5.929,62 0.405,63 1.157,64 19.655,65 8.059,66 54.245,67 10.215,68 0.326,69 1.376,70 24.842,71 9.512,72 40.862,73 12.54,74 0.527,75 1.451,76 29.589,77 10.503,78 68.492,79 13.967,80 0.532,81 1.433,82 30.006,83 10.961,84 67.254,85 15.431,86 0.598,87 1.381,88 31.309,89 10.483,90 67.18,91 14.963,92 0.402,93 1.295,94 26.918,95 9.362,96 55.762,97 13.034,98 0.675,99 1.288,100 28.767,101 8.565,102 78.066,103 12.445,104 30,105 43,106 0.265,107 0.638,108 0.822,109 0.895,110 0.901,111 0.901,112 3.44,113 0.886,114 -4.14,115 -4.08,116 -3.86,119 40.7,121 3,124 1,125 1,139 7,140 4,141 2,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 12,167 1,169 1,170 8,172 3,173 4,175 2,178 13,179 2,180 1,182 10,187 3,189 11,190 1,191 1,193 7,194 1,195 1,196 1,197 1,198 3,200 2,201 8,202 1,204 2,205 1,206 1,207 6,210 1,212 3,215 7,218 2,220 2,221 7,223 1,224 1,226 3,229 6,230 1,231 3,234 6,239 4,241 7,242 1,243 3,245 1,246 4,248 1,249 1,251 4,254 9,255 1,256 3,260 1,265 3,268 8,269 2,270 2,273 1624,274 20.093,275 20.093,276 20.093,277 20.093,278 20.093,279 17.673,280 25.905,281 11.956,282 20.588,283 15.727,284 15.727,285 15.727,286 15.727,287 15.727,288 12.053,289 30.998,290 5.604,291 16.426,292 4.151,293 1.897,294 0.785,295 0.347,296 0.31,297 0.31,298 4.122,301 1,302 1,303 839,304 3.606,307 332.761,314 2.044,315 33.709,318 1,319 1,320 0.83,321 0.8,322 0.5,323 1,324 1,325 0.88,326 66,327 400,328 4.331,329 3.58,330 6.251,331 3.956,332 2.98,333 3.975,334 1.437,335 9.444,336 2.91,337 4.194,338 3.256,339 5.984,340 3.806,341 2.817,342 3.813,343 0.86,344 8.479,345 2.78,346 4.161,347 2.935,348 5.975,349 3.722,350 2.765,351 3.79,352 0.86,353 8.463,354 2.65,355 3.628,356 2.872,357 5.258,358 3.279,359 2.32,360 2.932,361 0.68,362 6.653,363 2.231,364 3.567,365 2.578,366 5.233,367 3.221,368 2.255,369 2.882,371 6.522,372 2.151,373 3.44,374 2.324,375 4.963,376 3.024,377 2.1,378 2.746,380 5.821,381 1.934,382 2.928,383 2.015,384 4.42,385 2.545,386 1.596,387 2.074,389 4.275,390 1.509,391 2.869,392 1.933,393 4.075,394 2.479,395 1.516,396 1.965,398 3.501,399 1.445,400 2.773,401 1.563,402 3.811,403 2.295,404 1.346,405 1.889,407 3.244,408 1.272,409 2.531,410 1.482,411 3.566,412 2.257,413 1.269,414 1.484,415 2.812,416 1.247,417 2.485,418 1.186,419 3.435,420 2.005,421 1,422 1.473,423 2.323,424 0.994,425 1.908,426 1.111,427 3.132,428 1.629,429 0.72,430 0.827,431 1.437,432 0.646,433 1.604,434 0.707,435 2.993,436 1.348,437 0.413,438 0.473,439 0.966,440 0.383,441 1.482,442 0.615,443 2.724,444 1.212,445 0.302,446 0.348,448 0.581,449 0.274,450 0.99,451 0.435,452 2.4,453 0.679,454 -0.254,455 -0.297,457 -0.496,458 -0.234,459 13.933,460 0.464,461 0.715,462 0.024,463 40.5,464 1.35,465 21.5,466 0.717,467 19,468 0.633,469 23.063,470 0.769,471 32.867,472 0.609,473 31.591,474 1.053,475 8.261,476 0.275,477 6.196,478 0.207,479 0.141,481 0.323,485 0.936,486 1.186,487 0.82,488 1.048,489 0.91,490 0.922,491 0.823,492 0.908,493 0.831,494 0.981,495 0.468,496 0.931,497 1.004,498 1.183,499 1.006,500 1.157,501 0.741,502 1.095,503 1.123,504 1.008,505 1.158,506 1.116,507 0.988,508 1.144,509 0.617,510 1.098,511 0.952,512 1.157,513 0.626,514 1.129,515 0.795,516 0.907,517 0.892,518 0.923,519 0.622,520 0.932,521 0.961,522 1.183,523 1.03,524 1.122,525 0.851,526 1.103,527 1.001,528 0.826,529 1.148,530 0.869,531 1.022,532 0.992,533 6.5,534 0.144,535 3.111,536 1.625,537 1.649,538 0.826,539 0.609,540 0.378,541 0.263,542 0.204,543 12734,544 39662,545 2.012,546 44.4,547 4,548 12,550 1,551 5,553 2,555 1.725,556 1.875,557 3.688,558 2.419,560 1,564 86.617,565 1.604,566 3.857,567 4.97,568 5.408,569 5.445,570 5.445,571 3.115,572 4.574,573 4.88,574 3.887,575 1690.71,576 8.49,577 25104.9,579 1,581 1,582 310.764,583 1.436,584 4.831,585 0.203,586 0.006,587 0.072,588 0.037,589 0.043,590 0.023,591 0.017,592 0.011,593 0.009,594 0.008,595 0.431,596 0.17,597 1,598 0.855,599 157.948,600 -0.121,601 0.017,602 0.007,603 0.035,604 -0.154,605 0.053,606 0.109,607 0.181,608 0.066,609 0.074,610 0.227,611 0.055,612 -0.116,613 -0.13,614 -0.094,615 -0.119,616 -0.032,617 -0.104,618 -0.142,619 -0.01,620 -0.2,621 -0.114,622 -0.104,623 -0.162,624 0.143,625 -0.139,626 -0.001,627 -0.137,628 0.093,629 -0.102,630 0.064,631 0.021,632 0.101,633 0.066,634 0.037,635 0.083,636 -0.093,637 -0.216,638 -0.067,639 -0.119,640 -0.073,641 -0.098,642 -0.073,643 0.161,644 -0.146,645 0.065,646 -0.154,647 -0.026,648 2.64,649 4.033,650 0.6,651 33.076,652 1.01,653 1.129,654 2.906,655 8.444,656 0.657,657 3.497,658 3.784,659 3.989,660 4.174,661 4.382,662 4.357,663 4.369,664 4.369,665 4.454,666 4.477,667 7.941,668 0.634,669 408.5,670 3.497,671 5.017,672 5.838,673 6.688,674 7.526,675 8.378,676 9.222,677 10.075,678 10.921,679 11.775,680 7.4,684 2,690 2,695 8,696 2,700 8,702 18,709 1,711 2,716 2,718 54,719 19,720 2,721 32,723 56,724 22,725 16,726 5,727 7,728 1,729 3,730 3,739 3,741 17,742 5,744 1,748 1,751 1,754 1,757 24,758 8,759 5,760 8,764 4,769 1,770 4,776 1,781 3,800 1,802 3,806 1,810 30,811 2,815 1,816 4,818 2,829 7.4,831 1,832 1,834 2,836 16,837 9.683,838 6.75,839 2.954,840 3.255,841 1.444,842 0.95,843 7.358,844 10.582,845 3.761,846 4.337,847 4.85,848 5.349,849 5.867,850 5.91,851 6.082,852 6.276,853 6.608,854 6.864,855 0.889,856 44,857 11.021,859 4.568,860 7.933,861 20.611,863 16.236,865 2.433,866 73,868 1,869 1,870 223.651,871 126.826,872 99.365,874 89.828,877 126.826,878 313.479,879 99.365,880 10.883,881 12.196,882 132.128,883 114.08,884 54.276,885 4.227,886 211.88,888 223.651,889 226.192,890 89.828,893 200.109,894 113.37,897 23.142,898 169.478,899 33.571,901 223.651,902 189.193,903 126.826,906 223.651,907 40.562,908 86.264,910 189.193,911 223.651,912 189.193,913 126.826,915 0.574,916 0.329,917 0.169,918 0.094,919 18,920 9,921 0.161,922 9,924 1,925 4.205,926 246.388,928 18,929 147.207,933 21.715,934 10.165,935 6.006,937 189.193,938 14.104,939 8.018,943 4.895,945 108.478,946 539.671,947 42,951 11.033,954 -0.974,956 54.552,957 60.983,958 0.279,959 0.67,960 0.864,961 0.94,962 0.946,963 0.946,964 4.973,965 1.516,966 5.808,967 4.275,968 4.466,969 5.024,970 2.198,971 6.558,972 4.389,973 6.171,974 1.346,975 7.335,976 3.501,977 4.007,978 4.796,980 7.338,981 3.904,982 7.465,983 1.269,984 8.957,985 3.244,986 6.009,987 7.179,988 2.496,989 10.369,990 5.875,991 8.791,992 1,993 10.633,994 2.812,995 6.33,996 7.71,998 11.931,999 6.171,1000 10.144,1001 0.72,1002 12.343,1003 2.323,1004 7.804,1005 9.592,1006 3.016,1007 14.466,1008 7.625,1009 11.517,1010 0.413,1011 14.075,1012 1.437,1013 8.494,1014 10.486,1016 16.367,1017 8.292,1018 12.904,1019 0.302,1020 15.824,1021 0.966,1022 9.741,1023 12.136,1024 3.653,1025 18.711,1026 9.52,1027 2.98,1028 -0.254,1029 17.584,1030 0.581,1031 10.616,1032 13.225,1034 20.772,1035 10.373,1036 2.817,1037 9.444,1038 19.353,1039 -0.496,1040 11.759,1041 14.752,1042 4.342,1043 23.038,1044 11.498,1045 2.765,1046 8.479,1047 21.13,1048 3.975,1049 12.728,1050 15.952,1052 25.177,1053 12.444,1054 2.32,1055 8.463,1056 22.912,1057 3.813,1058 13.825,1059 17.41,1060 5.052,1061 27.412,1062 13.523,1063 2.255,1064 6.653,1065 24.699,1066 3.79,1067 14.841,1068 18.675,1070 29.591,1071 14.517,1072 2.1,1073 6.522,1074 26.49,1075 2.932,1076 15.919,1077 20.092,1078 5.77,1079 31.815,1080 15.575,1081 1.596,1082 5.821,1083 28.285,1084 2.882,1085 16.96,1086 21.395,1088 34.014,1089 16.594,1090 12455,1091 22120,1092 20.978,1093 35.455,1094 47.053,1095 48.237,1096 48.395,1097 46.782,1098 46.799,1099 61.342,1100 7.673,1101 129.045,1102 44.855,1103 5.229,1104 5.58,1105 5.937,1106 5.025,1107 4.98,1108 6.975,1109 2.873,1110 15.9,1111 4.91,1112 16.826,1113 1.47,1114 1.507,1115 1.512,1116 1.462,1117 1.462,1118 1.917,1119 0.24,1120 4.033,1121 1.402,1122 4.008,1123 4.037,1124 3.953,1125 3.93,1126 7.475,1127 3.93,1128 3.917,1129 3.934,1130 3.869,1131 3.84,1132 6.351,1133 3.842,1134 3.818,1135 3.868,1136 3.774,1137 3.666,1138 5.291,1139 3.686,1140 3.55,1141 3.601,1142 3.416,1143 3.388,1144 4.979,1145 3.384,1146 3.293,1147 3.314,1148 3.234,1149 3.04,1150 4.854,1151 3.08,1152 3.231,1153 3.297,1154 3.079,1155 2.996,1156 4.811,1157 3.01,1158 3.199,1159 3.251,1160 3.053,1161 2.958,1162 4.448,1163 2.968,1164 3.008,1165 3.128,1166 2.848,1167 2.774,1168 4.387,1169 2.768,1170 0.135,1171 0.112,1172 0.195,1173 0.124,1174 0.093,1175 4.331,1176 0.124,1177 3.58,1178 0.045,1179 6.251,1180 0.295,1181 3.956,1182 0.091,1183 2.98,1184 3.975,1185 1.437,1186 9.444,1187 2.91,1188 1.963,1189 1.94,1190 2.073,1191 2.063,1192 1.312,1193 2.064,1194 1.891,1195 1.874,1196 1.991,1197 1.996,1198 1.13,1199 1.992,1200 1.754,1201 1.708,1202 1.874,1203 1.933,1204 1.058,1205 1.917,1206 1.532,1207 1.479,1208 1.75,1209 1.731,1210 0.856,1211 1.744,1212 1.194,1213 1.144,1214 1.565,1215 1.506,1216 0.584,1217 1.523,1218 1.163,1219 1.098,1220 1.406,1221 1.438,1222 0.485,1223 1.428,1224 1.11,1225 1.082,1226 1.27,1227 1.409,1228 0.374,1229 1.353,1230 0.948,1231 0.885,1232 1.24,1233 1.299,1234 0.227,1235 1.298,1236 4.174,1238 5.468,1240 6.95,1242 8.518,1244 10.13,1246 1.625,1250 11.523,1251 9.047,1252 2.574,1254 11.154,1262 34.213,1263 86.617,1264 208.304,1265 268.358,1266 292.009,1267 294.009,1268 294.009,1269 61.028,1270 7.326,1271 133.58,1272 133.58,1273 18,1274 12.331,1275 4.322,1276 3.459,1277 55.586,1278 143,1279 128,1280 0.184,1281 213.51,1282 372.14,1283 512.724,1284 16450,1286 21.51,1287 0.717,1288 0.556,1289 21.51,1290 16.668,1291 14.457,1292 0.452,1293 0.295,1294 9.293,1295 13.819,1296 9.07,1297 7.551,1298 14.457,1299 9.448,1300 12.82,1301 0.298,1302 0.157,1303 12.82,1304 6.747,1305 10.228,1306 0.193,1307 0.087,1308 10.228,1309 4.602,1310 8.046,1311 0.126,1312 0.048,1313 8.046,1314 3.086,1315 6.411,1316 0.081,1317 0.026,1318 6.411,1319 2.061,1320 0.299,1321 91.358,1322 0.218,1323 28.982,1324 0.479,1325 150,1326 487.271,1327 166.9,1328 466.331,1329 624.32,1330 434,1331 171,1332 447.638,1333 185.963,1334 454.309,1335 653.59,1336 424,1337 5.398}
{0 CHEMBL284849,1 1.693,2 10.923,3 1.343,4 1.804,5 99.01,6 7.748,7 0.607,8 3.954,9 4.079,10 3.538,11 3.363,12 5.172,13 3.395,14 4.434,15 4.609,16 3.867,17 3.699,18 5.608,19 3.721,20 4.527,21 4.675,22 3.985,23 3.848,24 5.708,25 3.859,26 4.691,27 4.873,28 3.931,29 3.898,30 5.855,31 3.858,32 4.792,33 5.025,34 3.762,35 3.871,36 5.815,37 3.787,38 4.694,39 4.935,40 3.588,41 3.755,42 5.651,43 3.662,44 4.621,45 4.883,46 3.518,47 3.651,48 5.565,49 3.563,50 4.46,51 4.715,52 3.498,53 3.554,54 5.436,55 3.481,56 0.132,57 0.699,58 9.272,59 3.421,60 13.527,61 4.581,62 0.488,63 1.001,64 17.93,65 5.703,66 36.458,67 7.462,68 0.403,69 1.174,70 17.775,71 6.042,72 24.624,73 8.283,74 0.582,75 1.255,76 22.436,77 7.676,78 45.506,79 10.58,80 0.757,81 1.229,82 27.817,83 8.248,84 54.499,85 11.993,86 0.595,87 1.076,88 25.607,89 7.505,90 46.236,91 11.013,92 0.614,93 0.97,94 24.936,95 6.973,96 47.646,97 10.391,98 0.387,99 0.882,100 20.25,101 6.032,102 31.423,103 9.241,104 35,105 39,106 0.291,107 0.637,108 0.744,109 0.795,110 0.813,111 0.851,112 3.304,113 0.832,114 -2.41,115 -2.44,116 -2.39,119 37,124 3,125 1,139 3,140 2,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 2,169 2,170 7,172 3,173 3,175 3,178 1,180 1,181 1,182 7,185 1,187 3,189 1,191 1,192 2,193 1,195 3,196 4,197 1,198 2,200 2,201 1,204 1,205 1,206 1,207 1,210 3,211 1,212 1,214 1,215 2,218 1,221 2,224 1,229 2,233 1,234 5,238 1,239 1,240 1,241 1,243 1,245 1,246 4,251 1,256 1,259 3,260 3,262 1,263 1,265 2,270 2,273 932,274 17.643,275 17.643,276 17.643,277 17.643,278 17.643,279 15.582,280 26.097,281 10.169,282 18.452,283 13.613,284 13.613,285 13.613,286 13.613,287 13.613,288 10.278,289 36.686,290 4.554,291 14.635,292 3.83,293 1.814,294 1.191,295 0.897,296 0.794,297 0.571,298 3.985,300 1,301 1,302 1,303 598,304 3.082,307 227.358,311 118.929,314 1.479,315 26.252,318 1,319 0.83,320 1,321 0.8,323 1,324 1,325 0.8,326 58,327 284,328 4.541,329 3.323,330 6.502,331 4.038,332 3.081,333 4.491,334 0.86,335 10.175,336 2.952,337 4.389,338 3.12,339 6.348,340 3.981,341 3.024,342 4.072,343 0.86,344 9.767,345 2.891,346 3.803,347 2.899,348 5.858,349 3.437,350 2.5,351 3.241,352 0.86,353 8.006,354 2.335,355 3.724,356 2.56,357 5.31,358 3.31,359 2.372,360 3.107,361 0.657,362 6.871,363 2.221,364 3.429,365 2.271,366 5.062,367 2.971,368 2.044,369 2.811,371 5.803,372 1.889,373 3.373,374 2.17,375 4.971,376 2.885,377 1.966,378 2.696,380 5.758,381 1.804,382 3.107,383 2.05,384 4.704,385 2.724,386 1.788,387 2.301,389 5.064,390 1.664,391 2.456,392 1.906,393 3.926,394 2.124,395 1.256,396 1.438,398 2.917,399 1.081,400 2.337,401 1.124,402 3.71,403 1.944,404 1.007,405 1.325,407 2.565,408 0.941,409 1.84,410 1.058,411 3.194,412 1.565,413 0.658,414 0.75,415 1.436,416 0.593,417 1.592,418 0.921,419 2.799,420 1.32,421 0.466,422 0.513,423 0.674,424 0.395,425 1.456,426 0.874,427 2.752,428 1.168,429 0.312,430 0.342,431 0.437,432 0.265,433 1.315,434 0.314,435 2.641,436 0.933,437 0.02,438 0.025,439 0.044,440 0.018,441 0.976,442 0.046,443 2.528,444 0.55,445 -0.356,446 -0.416,448 -0.648,449 -0.318,450 0.847,451 -0.294,452 2.411,453 0.461,454 -0.454,455 -0.579,457 -1.153,458 -0.413,459 11.9,460 0.458,461 0.622,462 0.024,463 37,464 1.423,465 19,466 0.731,467 18,468 0.692,469 18.136,470 0.698,471 28.9,472 0.628,473 28.232,474 1.086,475 7.713,476 0.297,477 4.836,478 0.186,479 0.193,481 0.378,485 1.051,486 1.458,487 0.791,488 1.187,489 1.184,490 0.953,491 1.296,492 0.806,493 0.779,494 0.703,495 0.842,496 0.655,497 1.031,498 1.368,499 0.921,500 1.17,501 0.896,502 1.037,503 0.883,504 1.195,505 1.088,506 1.312,507 0.834,508 1.267,509 1.004,510 0.931,511 1.129,512 1.058,513 0.992,514 1.119,515 1.126,516 0.984,517 1.139,518 1.068,519 1.032,520 1.108,521 1.079,522 0.759,523 0.97,524 0.813,525 0.91,526 0.868,527 0.758,528 1.012,529 0.802,530 0.984,531 0.701,532 0.913,533 6,534 0.206,535 3.111,536 1.813,537 2.102,538 0.819,539 0.384,540 0.358,541 0.283,542 0.238,543 7700,544 23766,545 2.014,546 43.5,548 14,550 1,551 5,555 1.69,556 1.857,557 3.405,558 2.634,559 1,560 1,564 77.894,565 1.693,566 3.71,567 4.332,568 4.626,569 4.729,570 4.953,571 2.83,572 4.316,573 4.675,574 3.544,575 1151.89,576 8.093,577 14502.3,579 1,582 254.084,583 1.502,584 4.615,585 0.214,586 0.01,587 0.08,588 0.042,589 0.055,590 0.026,591 0.015,592 0.014,593 0.011,594 0.01,595 0.479,596 0.17,597 1,598 0.998,599 127.63,600 -0.157,601 -0.197,602 0.031,603 -0.095,604 -0.248,605 0.008,606 -0.109,607 0.275,608 0.168,609 0.315,610 0.097,611 0.293,612 -0.061,613 -0.182,614 -0.054,615 -0.115,616 -0.057,617 -0.083,618 0.077,619 -0.105,620 -0.18,621 -0.28,622 0.067,623 -0.297,624 -0.013,625 0.025,626 -0.147,627 -0.072,628 -0.068,629 -0.133,630 -0.143,631 -0.064,632 -0.147,633 -0.074,634 -0.154,635 -0.106,636 -0.081,637 0.11,638 0.057,639 0.161,640 -0.028,641 0.142,642 0.048,643 -0.092,644 0.182,645 0.022,646 0.097,647 0.119,648 1.571,649 1.933,650 0.615,651 21.834,652 1.017,653 1.142,654 1.177,655 1.386,656 0.646,657 3.367,658 3.689,659 3.97,660 4.22,661 4.454,662 4.477,663 4.477,664 4.5,665 4.635,666 4.673,667 6.375,668 0.63,669 356.43,670 3.367,671 4.905,672 5.759,673 6.64,674 7.51,675 8.394,676 9.269,677 10.152,678 11.028,679 11.911,680 13,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 3,718 46,719 17,720 1,721 28,723 48,724 17,725 13,726 4,727 2,729 3,730 4,741 13,742 4,753 1,754 1,757 20,758 9,759 5,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 1,817 1,818 3,829 6.5,834 3,836 14,837 9.1,838 5.944,839 2.254,840 3.401,841 1.469,842 0.971,843 5.489,844 10.656,845 3.624,846 4.277,847 4.903,848 5.5,849 6.089,850 6.335,851 6.598,852 6.896,853 7.312,854 7.412,855 1,856 43,857 9.49,859 3.884,860 7.827,861 17.706,863 13.668,865 2.327,866 60.5,870 176.567,871 102.419,872 134.162,874 33,877 102.419,878 209.566,879 134.162,880 32.649,881 2.106,882 94.223,883 80.138,884 68.008,885 4.227,886 164.795,888 176.567,889 236.581,890 33,893 178.282,894 33,897 13.052,898 153.446,899 68.367,901 176.567,902 167.161,903 102.419,906 176.567,907 32.294,908 70.125,909 18.011,910 149.151,911 176.567,912 167.161,913 102.419,915 0.575,916 0.355,917 0.197,918 0.109,919 18,920 9,921 0.125,922 6,923 1,924 1.125,925 3.708,926 214.223,927 0.125,928 16,929 122.211,933 18.29,934 7.803,935 3.865,936 1.077,937 167.161,938 7.117,939 12.288,943 3.934,945 83.805,946 446.147,947 36.5,956 46.778,957 52.524,958 0.307,959 0.672,960 0.784,961 0.838,962 0.856,963 0.897,964 4.854,965 1.256,966 5.753,967 5.064,968 4.369,969 4.963,970 1.841,971 6.572,972 4.24,973 6.083,974 1.007,975 7.322,976 2.917,977 4.007,978 4.913,980 7.486,981 3.848,982 7.411,983 0.658,984 8.986,985 2.565,986 5.979,987 7.259,988 1.538,989 10.556,990 5.755,991 8.776,992 0.466,993 10.703,994 1.436,995 6.399,996 7.989,998 12.243,999 6.14,1000 10.168,1001 0.312,1002 12.453,1003 0.674,1004 7.851,1005 9.839,1006 1.278,1007 14.837,1008 7.547,1009 11.581,1010 0.02,1011 14.225,1012 0.437,1013 8.636,1014 10.943,1016 16.861,1017 8.292,1018 13.009,1019 -0.356,1020 16.014,1021 0.044,1022 9.882,1023 12.587,1024 1.053,1025 19.279,1026 9.499,1027 3.081,1028 -0.454,1029 17.815,1030 -0.648,1031 10.842,1032 13.883,1034 21.455,1035 10.418,1036 3.024,1037 10.175,1038 19.626,1039 -1.153,1040 12.004,1041 15.436,1042 0.858,1043 23.804,1044 11.543,1045 2.5,1046 9.767,1047 21.445,1048 4.491,1049 13.046,1050 16.828,1052 26.048,1053 12.543,1054 2.372,1055 8.006,1056 23.271,1057 4.072,1058 14.177,1059 18.341,1060 0.691,1061 28.37,1062 13.635,1063 2.044,1064 6.871,1065 25.102,1066 3.241,1067 15.257,1068 19.781,1070 30.646,1071 14.673,1072 1.966,1073 5.803,1074 26.938,1075 3.107,1076 16.376,1077 21.278,1078 0.549,1079 32.957,1080 15.752,1081 1.788,1082 5.758,1083 28.777,1084 2.811,1085 17.475,1086 22.742,1088 35.248,1089 16.808,1090 7602,1091 13481,1092 18.205,1093 29.728,1094 40.834,1095 42.272,1096 43.484,1097 40.843,1098 40.986,1099 54.221,1100 6.475,1101 119.034,1102 38.097,1103 5.379,1104 5.323,1105 6.05,1106 5.113,1107 5.081,1108 7.491,1109 1.72,1110 17.069,1111 4.952,1112 14.908,1113 1.458,1114 1.51,1115 1.553,1116 1.459,1117 1.464,1118 1.936,1119 0.231,1120 4.251,1121 1.361,1122 4.055,1123 4.098,1124 4.03,1125 3.926,1126 5.325,1127 3.946,1128 3.934,1129 3.947,1130 3.898,1131 3.834,1132 4.983,1133 3.847,1134 3.52,1135 3.59,1136 3.455,1137 3.298,1138 4.964,1139 3.33,1140 3.346,1141 3.393,1142 3.227,1143 3.084,1144 4.823,1145 3.109,1146 3.262,1147 3.327,1148 3.093,1149 2.986,1150 4.617,1151 2.999,1152 3.196,1153 3.28,1154 3.003,1155 2.9,1156 4.494,1157 2.901,1158 3.109,1159 3.224,1160 2.988,1161 2.817,1162 4.279,1163 2.85,1164 3.045,1165 3.147,1166 2.824,1167 2.795,1168 4.09,1169 2.784,1170 0.162,1171 0.119,1172 0.232,1173 0.144,1174 0.11,1175 4.541,1176 0.16,1177 3.323,1178 0.031,1179 6.502,1180 0.363,1181 4.038,1182 0.105,1183 3.081,1184 4.491,1185 0.86,1186 10.175,1187 2.952,1188 1.968,1189 1.935,1190 2.027,1191 2.121,1192 1.173,1193 2.094,1194 1.882,1195 1.869,1196 1.956,1197 2.006,1198 1.062,1199 1.991,1200 1.426,1201 1.364,1202 1.617,1203 1.69,1204 0.687,1205 1.667,1206 1.259,1207 1.205,1208 1.584,1209 1.575,1210 0.584,1211 1.575,1212 1.204,1213 1.132,1214 1.571,1215 1.525,1216 0.573,1217 1.54,1218 1.157,1219 1.069,1220 1.499,1221 1.464,1222 0.527,1223 1.484,1224 1.036,1225 0.937,1226 1.351,1227 1.379,1228 0.347,1229 1.364,1230 0.995,1231 0.897,1232 1.265,1233 1.306,1234 0.111,1235 1.326,1236 4.043,1238 5.361,1240 6.889,1242 8.515,1244 10.193,1246 4.767,1250 11.486,1252 0.479,1253 3.277,1254 16.075,1262 28.96,1263 77.894,1264 170.646,1265 199.29,1266 212.8,1267 217.555,1268 227.819,1269 38.93,1270 7.255,1271 130.43,1272 130.43,1273 18,1274 12.446,1275 4.17,1276 3.248,1277 44.446,1278 102,1279 90,1280 0.218,1281 180.995,1282 304.13,1283 433.389,1284 13420,1286 18.681,1287 0.719,1288 0.567,1289 18.681,1290 14.738,1291 12.55,1292 0.448,1293 0.277,1294 7.558,1295 11.757,1296 7.307,1297 6.139,1298 12.55,1299 7.769,1300 10.971,1301 0.281,1302 0.139,1303 10.971,1304 5.435,1305 9.43,1306 0.181,1307 0.074,1308 9.43,1309 3.868,1310 7.884,1311 0.118,1312 0.038,1313 7.884,1314 2.577,1315 6.374,1316 0.075,1317 0.02,1318 6.374,1319 1.72,1320 0.343,1321 80.946,1322 0.234,1323 25.084,1324 0.593,1325 134,1326 455.099,1327 152.516,1328 429.73,1329 588.43,1330 404,1331 158,1332 434.115,1333 176.6,1334 441.72,1335 640.86,1336 409,1337 5.959}
{0 CHEMBL284851,1 1.498,2 11.375,3 3.801,4 14.448,5 98.121,6 6.61,7 0.48,8 3.977,9 4.117,10 3.42,11 3.431,12 5.053,13 3.401,14 4.502,15 4.704,16 3.699,17 3.774,18 5.507,19 3.707,20 4.702,21 4.933,22 3.746,23 3.891,24 5.62,25 3.805,26 4.764,27 5.006,28 3.661,29 3.902,30 5.695,31 3.787,32 4.773,33 5.033,34 3.628,35 3.888,36 5.644,37 3.755,38 4.73,39 4.994,40 3.664,41 3.804,42 5.66,43 3.696,44 4.642,45 4.88,46 3.571,47 3.718,48 5.623,49 3.622,50 4.554,51 4.807,52 3.344,53 3.664,54 5.47,55 3.527,56 0.051,57 0.708,58 11.863,59 4.376,60 11.837,61 6.368,62 0.265,63 1.034,64 20.852,65 7.475,66 29.761,67 10.553,68 0.234,69 1.19,70 25.594,71 8.357,72 28.563,73 12.588,74 0.347,75 1.217,76 27.465,77 8.926,78 42.199,79 13.289,80 0.35,81 1.197,82 27.603,83 9.12,84 36.909,85 13.845,86 0.385,87 1.118,88 26.707,89 8.28,90 41.345,91 12.753,92 0.471,93 1.023,94 24.832,95 7.286,96 43.769,97 11.063,98 0.304,99 0.985,100 22.263,101 6.706,102 35.095,103 10.569,104 26,105 32,106 0.257,107 0.577,108 0.782,109 0.86,110 0.88,111 0.88,112 3.227,113 0.996,114 -4.24,115 -4.18,116 -3.95,119 36,120 1,121 5,124 1,125 1,139 3,140 2,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 7,172 3,173 3,175 1,178 7,180 1,182 8,187 1,189 6,191 1,193 5,195 1,196 1,197 1,198 2,200 2,201 5,204 2,205 1,206 1,207 4,212 2,215 5,218 2,220 2,221 3,223 1,224 1,226 2,229 5,231 2,233 2,234 3,236 1,237 1,239 2,241 6,243 2,246 1,248 1,249 1,251 1,254 6,256 1,260 3,262 1,263 1,265 2,268 4,270 2,273 964,274 16.292,275 16.292,276 16.292,277 16.292,278 16.292,279 14.739,280 19.989,281 10.076,282 16.782,283 12.258,284 12.258,285 12.258,286 12.258,287 12.258,288 9.905,289 26.407,290 4.71,291 12.952,292 4.145,293 2.276,294 1.085,295 0.63,296 0.51,297 0.51,298 3.893,300 1,301 1,302 1,303 555,304 3.317,307 170.031,314 1.792,315 19.884,317 1,318 1,319 1,320 0.83,321 1,322 1,323 1,324 1,325 0.98,326 52,327 273,328 4.331,329 3.264,330 6.251,331 3.951,332 2.98,333 3.975,334 0.86,335 9.444,336 2.894,337 4.161,338 2.951,339 5.984,340 3.715,341 2.765,342 3.813,343 0.86,344 8.479,345 2.627,346 3.571,347 2.732,348 5.253,349 3.202,350 2.283,351 2.883,352 0.68,353 6.647,354 2.091,355 3.44,356 2.324,357 4.963,358 3.023,359 2.101,360 2.746,362 5.821,363 1.93,364 2.928,365 1.959,366 4.42,367 2.778,368 1.786,369 2.074,371 4.275,372 1.77,373 2.806,374 1.839,375 4.075,376 2.544,377 1.595,378 1.889,380 3.555,381 1.509,382 2.773,383 1.528,384 3.794,385 2.294,386 1.348,387 1.809,389 3.481,390 1.272,391 2.314,392 1.437,393 3.314,394 2.236,395 1.27,396 1.31,398 2.413,399 1.22,400 1.898,401 1.086,402 3.114,403 1.648,404 0.737,405 0.826,407 1.377,408 0.663,409 1.613,410 0.746,411 2.842,412 1.438,413 0.499,414 0.537,415 0.951,416 0.464,417 1.5,418 0.615,419 2.608,420 1.237,421 0.316,422 0.368,423 0.609,424 0.29,425 1,426 0.163,427 2.359,428 0.792,429 -0.146,430 -0.157,431 -0.243,432 -0.136,433 0.886,434 -0.095,435 2.299,436 0.607,437 -0.343,438 -0.403,439 -0.706,440 -0.324,441 0.794,442 -0.314,443 2.175,444 0.392,445 -0.515,446 -0.621,448 -1.242,449 -0.466,450 0.569,451 -0.391,452 1.931,453 0.294,454 -0.658,455 -0.756,457 -1.469,458 -0.619,459 11.267,460 0.469,461 0.451,462 0.019,463 29,464 1.208,465 14,466 0.583,467 15,468 0.625,469 20.157,470 0.84,471 27.733,472 0.555,473 19.998,474 0.833,475 5.49,476 0.229,477 6.145,478 0.256,479 0.16,481 0.266,485 1.008,486 1.392,487 0.948,488 1.242,489 1.166,490 1.099,491 1.052,492 0.989,493 0.921,494 1.063,495 0.654,496 1.002,497 1.138,498 1.13,499 0.952,500 1.061,501 0.866,502 0.994,503 1.187,504 0.992,505 1.095,506 1.073,507 1.046,508 1.077,509 0.843,510 1.051,511 0.941,512 1.061,513 0.85,514 1.026,515 0.871,516 0.998,517 0.824,518 0.974,519 0.741,520 0.909,521 1.447,522 1.035,523 1.07,524 0.974,525 1.031,526 0.989,527 1.112,528 1.081,529 1.218,530 1.123,531 1.232,532 1.171,533 4.5,534 0.083,535 2.222,536 1.125,537 1.227,538 0.611,539 0.467,540 0.335,541 0.222,542 0.127,543 6105,544 14419,545 1.972,546 52,547 11,548 8,550 1,551 4,553 2,555 1.669,556 1.846,557 3.441,558 1.777,560 1,564 74.923,565 1.498,566 3.368,567 4.559,568 5.014,569 5.134,570 5.134,571 2.939,572 4.168,573 4.546,574 3.596,575 992.524,576 7.853,577 12078.3,579 1,581 1,582 282.193,583 1.384,584 4.513,585 0.18,586 0.007,587 0.069,588 0.034,589 0.042,590 0.022,591 0.016,592 0.013,593 0.011,594 0.008,595 0.403,597 1,598 1.876,599 115.849,600 -0.073,601 -0.07,602 0.028,603 -0.043,604 -0.129,605 0.008,606 0.073,607 0.125,608 0.073,609 0.031,610 0.23,611 0.039,612 -0.08,613 -0.084,614 0.034,615 -0.014,616 0.01,617 0.022,618 -0.09,619 0.03,620 -0.105,621 -0.055,622 -0.044,623 -0.081,624 0.081,625 -0.078,626 0.024,627 -0.04,628 0.011,629 -0.017,630 0.186,631 -0.041,632 0.164,633 0.011,634 0.201,635 0.074,636 0.009,637 -0.065,638 -0.035,639 0.006,640 0.067,641 -0.028,642 -0.117,643 -0.04,644 -0.235,645 -0.139,646 -0.174,647 -0.193,648 1.493,649 2.342,650 0.5,651 24.681,652 0.996,653 1.14,654 3.007,655 9.04,656 0.626,657 3.258,658 3.497,659 3.689,660 3.871,661 4.078,662 4.094,663 4.094,664 4.143,665 4.19,666 4.111,667 6.464,668 0.586,669 330.48,670 3.258,671 4.745,672 5.549,673 6.385,674 7.215,675 8.062,676 8.903,677 9.757,678 10.605,679 11.462,680 8,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 2,718 50,719 12,720 1,721 25,723 51,724 18,725 10,726 3,727 3,729 2,730 2,734 1,739 5,741 10,742 8,754 1,757 26,758 6,759 4,760 6,764 4,769 1,770 2,776 1,781 2,802 2,806 2,810 24,811 2,816 6,818 2,829 4,834 2,836 13,837 9.233,838 5.639,839 3.119,840 2.279,841 1.345,842 0.938,843 7.283,844 8.882,845 3.466,846 3.989,847 4.483,848 4.978,849 5.505,850 5.604,851 5.774,852 6.111,853 6.442,854 6.635,855 0.875,856 33,857 8.828,859 3.498,860 7.667,861 17.013,863 13.115,865 2.167,866 52,868 1,869 1,870 258.964,871 95.534,872 99.365,874 22,877 95.534,878 280.964,879 99.365,880 19.708,881 17.265,882 94.223,883 45.342,884 47.905,885 4.227,886 247.193,888 258.964,889 194.9,890 22,893 235.422,894 45.542,897 37.037,898 124.292,899 33.571,901 258.964,902 121.365,903 95.534,906 258.964,907 38.35,908 57.184,910 121.365,911 258.964,912 121.365,913 95.534,915 0.553,916 0.314,917 0.163,918 0.09,919 12,920 6,921 0.176,922 9,924 1,925 3.641,926 175.718,928 12,929 110.039,933 18.494,934 9.451,935 5.637,937 121.365,938 7.458,939 8.005,943 3.954,945 65.794,946 475.864,947 31,956 49.781,957 56.979,958 0.266,959 0.597,960 0.808,961 0.888,962 0.91,963 0.91,964 4.654,965 1.27,966 5.493,967 3.481,968 4.174,969 4.673,970 1.586,971 6.221,972 4.072,973 5.819,974 0.737,975 7,976 2.413,977 3.611,978 4.407,980 6.969,981 3.461,982 7.096,983 0.499,984 8.609,985 1.377,986 5.68,987 6.802,988 1.285,989 10.028,990 5.492,991 8.411,992 0.316,993 10.277,994 0.951,995 5.943,996 7.341,998 11.598,999 5.708,1000 9.76,1001 -0.146,1002 11.984,1003 0.609,1004 7.454,1005 9.219,1006 1.035,1007 14.155,1008 7.193,1009 11.131,1010 -0.343,1011 13.716,1012 -0.243,1013 8.124,1014 10.136,1016 16.075,1017 7.824,1018 12.519,1019 -0.515,1020 15.468,1021 -0.706,1022 9.39,1023 11.781,1024 0.828,1025 18.441,1026 9.066,1027 2.98,1028 -0.658,1029 17.233,1030 -1.242,1031 10.266,1032 12.895,1034 20.521,1035 9.907,1036 2.765,1037 9.444,1038 19.009,1039 -1.469,1040 11.422,1041 14.419,1042 0.656,1043 22.807,1044 11.039,1045 2.283,1046 8.479,1047 20.792,1048 3.975,1049 12.399,1050 15.64,1052 24.964,1053 11.985,1054 2.101,1055 6.647,1056 22.583,1057 3.813,1058 13.506,1059 17.098,1060 0.515,1061 27.216,1062 13.068,1063 1.786,1064 5.821,1065 24.378,1066 2.883,1067 14.533,1068 18.38,1070 29.41,1071 14.065,1072 1.595,1073 4.275,1074 26.178,1075 2.746,1076 15.621,1077 19.8,1078 0.401,1079 31.649,1080 15.127,1081 1.348,1082 3.555,1083 27.981,1084 2.074,1085 16.673,1086 21.118,1088 33.862,1089 16.15,1090 6272,1091 9848,1092 16.296,1093 31.307,1094 35.39,1095 36.035,1096 36.915,1097 35.363,1098 35.362,1099 44.461,1100 4.8,1101 94.106,1102 33.458,1103 5.232,1104 5.264,1105 6.204,1106 5.02,1107 4.98,1108 6.975,1109 1.72,1110 15.9,1111 4.894,1112 12.846,1113 1.416,1114 1.441,1115 1.477,1116 1.415,1117 1.414,1118 1.778,1119 0.192,1120 3.764,1121 1.338,1122 3.988,1123 4.017,1124 3.939,1125 3.895,1126 5.291,1127 3.901,1128 3.809,1129 3.856,1130 3.768,1131 3.648,1132 4.98,1133 3.671,1134 3.73,1135 3.793,1136 3.562,1137 3.604,1138 4.898,1139 3.585,1140 3.441,1141 3.511,1142 3.263,1143 3.256,1144 4.574,1145 3.242,1146 3.245,1147 3.311,1148 3.081,1149 3.015,1150 4.447,1151 3.024,1152 3.207,1153 3.293,1154 3.055,1155 2.961,1156 4.203,1157 2.972,1158 3.015,1159 3.132,1160 2.846,1161 2.763,1162 4.085,1163 2.744,1164 2.982,1165 3.082,1166 2.748,1167 2.694,1168 3.783,1169 2.714,1170 0.173,1171 0.131,1172 0.25,1173 0.158,1174 0.119,1175 4.331,1176 0.159,1177 3.264,1178 0.034,1179 6.251,1180 0.378,1181 3.951,1182 0.116,1183 2.98,1184 3.975,1185 0.86,1186 9.444,1187 2.894,1188 1.932,1189 1.912,1190 2.037,1191 2.05,1192 1.347,1193 2.042,1194 1.759,1195 1.704,1196 2.005,1197 1.941,1198 1.207,1199 1.959,1200 1.72,1201 1.67,1202 1.822,1203 1.893,1204 1.014,1205 1.885,1206 1.446,1207 1.373,1208 1.757,1209 1.668,1210 0.863,1211 1.701,1212 1.193,1213 1.124,1214 1.568,1215 1.508,1216 0.602,1217 1.528,1218 1.161,1219 1.086,1220 1.419,1221 1.429,1222 0.569,1223 1.429,1224 1.005,1225 0.912,1226 1.385,1227 1.31,1228 0.401,1229 1.332,1230 0.908,1231 0.797,1232 1.235,1233 1.268,1234 0.23,1235 1.289,1236 3.932,1238 5.187,1240 6.64,1242 8.192,1244 9.798,1246 3.843,1250 11.466,1252 5.999,1254 11.274,1262 29.31,1263 74.923,1264 168.379,1265 227.928,1266 250.683,1267 256.683,1268 256.683,1269 43.448,1270 6.603,1271 96.28,1272 96.28,1273 12,1274 12.017,1275 3.7,1276 2.807,1277 48.463,1278 88,1279 120,1280 0.261,1281 186.251,1282 319.18,1283 446.213,1284 5808,1286 17.364,1287 0.723,1288 0.601,1289 17.364,1290 14.418,1291 11.635,1292 0.465,1293 0.332,1294 8.177,1295 11.138,1296 7.933,1297 6.704,1298 11.635,1299 8.302,1300 9.702,1301 0.303,1302 0.178,1303 9.702,1304 5.698,1305 7.703,1306 0.198,1307 0.098,1308 7.703,1309 3.816,1310 6.016,1311 0.128,1312 0.053,1313 6.016,1314 2.477,1315 4.665,1316 0.08,1317 0.027,1318 4.665,1319 1.589,1320 0.412,1321 73.271,1322 0.248,1323 23.818,1324 0.703,1325 114,1326 331.386,1327 126.472,1328 317.318,1329 432.62,1330 298,1331 128,1332 316.972,1333 139.641,1334 321.471,1335 462.13,1336 300,1337 4.538}
{0 CHEMBL284960,1 1.647,2 10.269,3 1.972,4 3.887,5 100.445,6 7.563,7 0.552,8 3.985,9 4.105,10 3.564,11 3.427,12 5.121,13 3.446,14 4.519,15 4.693,16 3.939,17 3.82,18 5.615,19 3.825,20 4.667,21 4.83,22 3.987,23 3.977,24 5.691,25 3.95,26 4.828,27 5.036,28 3.98,29 4.016,30 5.851,31 3.942,32 4.851,33 5.084,34 3.777,35 3.931,36 5.791,37 3.845,38 4.738,39 4.976,40 3.632,41 3.841,42 5.625,43 3.731,44 4.681,45 4.946,46 3.524,47 3.687,48 5.543,49 3.597,50 4.507,51 4.754,52 3.422,53 3.597,54 5.432,55 3.488,56 0.096,57 0.72,58 9.876,59 3.838,60 10.622,61 5.081,62 0.445,63 1.101,64 19.504,65 6.592,66 31.409,67 8.719,68 0.368,69 1.292,70 21.714,71 7.722,72 20.529,73 10.465,74 0.535,75 1.393,76 27.208,77 9.687,78 42.637,79 13.849,80 0.734,81 1.323,82 30.05,83 8.688,84 50.628,85 12.534,86 0.456,87 1.2,88 26.094,89 8.446,90 37.339,91 12.209,92 0.589,93 1.034,94 26.68,95 7.381,96 41.183,97 10.835,98 0.524,99 0.911,100 21.403,101 6.769,102 35.692,103 9.924,104 21,105 42,106 0.281,107 0.64,108 0.773,109 0.812,110 0.812,111 0.812,112 3.304,113 0.863,114 -3.46,115 -3.44,116 -3.29,119 38.3,121 1,124 2,125 3,139 3,140 3,141 2,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 4,169 2,170 10,172 3,173 3,175 1,178 4,180 1,181 1,182 8,187 1,189 1,191 1,192 2,193 5,195 3,196 3,197 1,198 2,200 2,201 1,204 2,205 1,206 3,207 2,212 1,215 3,218 1,220 1,221 2,223 1,224 1,226 1,229 3,231 1,234 3,236 1,237 1,241 3,245 2,246 6,251 1,254 1,256 1,260 4,265 3,268 1,270 3,273 912,274 17.668,275 17.668,276 17.668,277 17.668,278 17.668,279 15.745,280 27.546,281 10.16,282 18.303,283 14.237,284 14.237,285 14.237,286 14.237,287 14.237,288 11.098,289 39.345,290 4.733,291 15.071,292 3.908,293 1.805,294 1.027,295 0.798,296 0.798,297 0.798,298 4.002,300 1,301 1,302 1,303 581,304 2.828,306 41.945,307 192.716,310 165.056,314 1.654,315 24.665,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 57.5,327 267,328 4.714,329 3.428,330 6.926,331 4.271,332 3.289,333 4.684,334 0.995,335 11.679,336 3.234,337 4.206,338 3.123,339 5.878,340 3.811,341 2.847,342 3.843,343 0.86,344 8.487,345 2.743,346 3.905,347 2.899,348 5.78,349 3.557,350 2.617,351 3.359,352 0.86,353 8.024,354 2.463,355 3.53,356 2.572,357 5.333,358 3.233,359 2.304,360 2.825,361 0.359,362 6.856,363 2.139,364 3.437,365 2.555,366 5.156,367 2.993,368 2.061,369 2.724,371 6.112,372 1.934,373 3.355,374 2.235,375 4.969,376 2.972,377 2.046,378 2.604,380 5.818,381 1.867,382 3.274,383 2.112,384 4.968,385 2.877,386 1.922,387 2.539,389 5.669,390 1.828,391 2.971,392 1.889,393 4.785,394 2.647,395 1.694,396 2.053,398 5.177,399 1.608,400 2.666,401 1.763,402 4.4,403 2.425,404 1.451,405 1.702,407 4.034,408 1.409,409 1.782,410 1.11,411 3.386,412 1.547,413 0.579,414 0.675,415 1.513,416 0.559,417 1.593,418 0.916,419 3.012,420 1.329,421 0.48,422 0.522,423 0.685,424 0.405,425 1.576,426 0.68,427 2.842,428 1.27,429 0.396,430 0.452,431 0.602,432 0.342,433 1.225,434 0.286,435 2.771,436 0.969,441 1.117,442 -0.042,443 2.733,444 0.711,445 -0.219,446 -0.28,448 -0.602,449 -0.203,450 0.809,451 -0.298,452 2.514,453 0.429,454 -0.495,455 -0.601,457 -1.239,458 -0.454,459 12,460 0.462,461 0.691,462 0.027,463 34.25,464 1.317,465 16,466 0.615,467 18.25,468 0.702,469 20.672,470 0.795,471 28.8,472 0.613,473 25.004,474 0.962,475 6.961,476 0.268,477 5.606,478 0.216,479 0.15,481 0.408,485 1.004,486 1.424,487 0.785,488 1.173,489 1.121,490 0.957,491 1.133,492 0.8,493 0.784,494 0.766,495 0.655,496 0.718,497 1.116,498 1.261,499 1.045,500 1.172,501 0.969,502 1.108,503 0.587,504 1.233,505 0.907,506 1.283,507 0.535,508 1.191,509 1.274,510 0.926,511 1.203,512 0.954,513 1.306,514 1.054,515 0.952,516 1.069,517 1.147,518 1.201,519 0.999,520 1.215,521 1.273,522 0.691,523 1.027,524 0.752,525 1.102,526 0.825,527 0.774,528 0.93,529 0.99,530 1.017,531 0.849,532 1.043,533 6.5,534 0.164,535 2,536 2.917,537 1.546,538 1.001,539 0.443,540 0.359,541 0.222,542 0.223,543 8023,544 22385,545 2.101,546 44.7,548 15,551 4,553 2,555 1.689,556 1.95,557 3.346,558 1.773,559 1,560 1,564 77.404,565 1.647,566 3.75,567 4.528,568 4.757,569 4.757,570 4.757,571 2.757,572 4.239,573 4.673,574 3.506,575 1139.31,576 8.088,577 14098.2,579 1,581 1,582 261.066,583 1.46,584 4.624,585 0.224,586 0.009,587 0.048,588 0.068,589 0.039,590 0.031,591 0.016,592 0.014,593 0.01,594 0.011,595 0.47,596 0.17,597 1,598 0.881,599 126.874,600 -0.117,601 -0.175,602 0.054,603 -0.081,604 -0.172,605 0.016,606 -0.019,607 0.306,608 0.155,609 0.252,610 0.205,611 0.237,612 -0.147,613 -0.136,614 -0.149,615 -0.119,616 -0.148,617 -0.132,618 0.241,619 -0.221,620 0.022,621 -0.243,622 0.273,623 -0.177,624 -0.171,625 0.035,626 -0.205,627 0.003,628 -0.271,629 -0.096,630 -0.085,631 -0.101,632 -0.186,633 -0.206,634 -0.156,635 -0.217,636 -0.177,637 0.189,638 0.012,639 0.186,640 -0.146,641 0.15,642 0.145,643 -0.015,644 -0.004,645 -0.017,646 0.052,647 -0.031,648 1.54,649 2.408,650 0.731,651 22.615,652 1.012,653 1.137,654 2.231,655 4.979,656 0.649,657 3.401,658 3.761,659 4.06,660 4.407,661 4.644,662 4.779,663 4.92,664 5.069,665 5.136,666 5.257,667 6.221,668 0.627,669 355.44,670 3.401,671 4.963,672 5.832,673 6.739,674 7.626,675 8.54,676 9.435,677 10.351,678 11.251,679 12.169,680 10.6,683 1,684 2,690 2,694 2,695 3,696 2,698 1,700 7,702 16,711 2,716 2,718 47,719 16,720 1,721 29,723 50,724 18,725 12,726 3,727 3,729 4,730 7,736 1,739 1,741 12,742 6,753 1,754 1,756 1,757 21,758 8,759 4,760 8,764 5,769 0.5,770 3,776 1,780 1,781 3,784 2,799 1,802 2,806 2,810 26,811 2,816 4,818 2,821 1,829 6.4,834 3,836 13.333,837 9.017,838 5.694,839 2.542,840 3.168,841 1.406,842 1.006,843 4.544,844 10.969,845 3.638,846 4.301,847 4.928,848 5.589,849 6.103,850 6.434,851 6.755,852 7.103,853 7.238,854 7.489,855 0.857,856 43,857 9.558,859 4.056,860 7.712,861 18.238,863 14.958,865 2.212,866 57.5,870 200.109,871 92.561,872 102.49,874 31.507,877 92.561,878 231.616,879 102.49,880 21.766,881 8.852,882 94.223,883 37.978,884 54.062,885 9.676,886 200.109,888 200.109,889 195.05,890 31.507,893 176.567,894 55.049,897 18.282,898 143.197,899 33.571,901 200.109,902 133.997,903 92.561,906 200.109,907 42.366,908 53.319,910 130.873,911 200.109,912 133.997,913 92.561,915 0.585,916 0.348,917 0.201,918 0.112,919 22,920 10,921 0.08,922 4,923 2,924 1.211,925 3.76,926 226.747,927 0.211,928 19,929 114.211,933 17.243,934 6.851,935 3.298,936 1.252,937 133.997,938 5.893,939 8.214,941 5.908,943 5.123,945 65.794,946 426.666,947 37,956 47.56,957 53.441,958 0.296,959 0.675,960 0.815,961 0.856,962 0.856,963 0.856,964 4.898,965 1.694,966 5.838,967 5.669,968 4.443,969 4.987,970 1.793,971 6.683,972 4.346,973 6.127,974 1.451,975 7.413,976 5.177,977 4.111,978 4.956,979 0.325,980 7.603,981 3.982,982 7.458,983 0.579,984 9.08,985 4.034,986 6.071,987 7.271,988 1.535,989 10.732,990 5.907,991 8.823,992 0.48,993 10.801,994 1.513,995 6.509,996 8.045,997 0.504,998 12.496,999 6.328,1000 10.219,1001 0.396,1002 12.558,1003 0.685,1004 7.972,1005 9.882,1006 1.342,1007 15.167,1008 7.768,1009 11.638,1011 14.343,1012 0.602,1013 8.79,1014 11.054,1015 0.585,1016 17.334,1017 8.58,1018 13.076,1019 -0.219,1020 16.149,1022 10.059,1023 12.702,1024 1.189,1025 19.852,1026 9.831,1027 3.289,1028 -0.495,1029 17.976,1030 -0.602,1031 11.065,1032 14.07,1033 0.622,1034 22.193,1035 10.833,1036 2.847,1037 11.679,1038 19.818,1039 -1.239,1040 12.262,1041 15.644,1042 1.066,1043 24.664,1044 12.016,1045 2.617,1046 8.487,1047 21.676,1048 4.684,1049 13.357,1050 17.104,1051 0.639,1052 27.076,1053 13.105,1054 2.304,1055 8.024,1056 23.546,1057 3.843,1058 14.532,1059 18.651,1060 0.969,1061 29.534,1062 14.267,1063 2.061,1064 6.856,1065 25.427,1066 3.359,1067 15.67,1068 20.154,1069 0.646,1070 31.972,1071 15.396,1072 2.046,1073 6.112,1074 27.316,1075 2.825,1076 16.84,1077 21.693,1078 0.891,1079 34.428,1080 16.555,1081 1.922,1082 5.818,1083 29.214,1084 2.724,1085 17.999,1086 23.216,1087 0.648,1088 36.878,1089 17.703,1090 7666,1091 12928,1092 19.304,1093 30.483,1094 43.395,1095 44.429,1096 45.462,1097 43.327,1098 43.372,1099 55.961,1100 6.147,1101 129.312,1102 41.062,1103 5.659,1104 5.428,1105 6.479,1106 5.343,1107 5.289,1108 7.684,1109 1.855,1110 18.832,1111 5.234,1112 13.356,1113 1.496,1114 1.532,1115 1.568,1116 1.494,1117 1.496,1118 1.93,1119 0.212,1120 4.459,1121 1.416,1122 4.126,1123 4.148,1124 4.103,1125 3.984,1126 5.355,1127 4.009,1128 3.931,1129 3.95,1130 3.883,1131 3.843,1132 4.983,1133 3.849,1134 3.64,1135 3.709,1136 3.557,1137 3.432,1138 4.933,1139 3.455,1140 3.303,1141 3.364,1142 3.208,1143 3.074,1144 4.912,1145 3.093,1146 3.302,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.184,1153 3.252,1154 3.03,1155 2.942,1156 4.291,1157 2.951,1158 3.115,1159 3.217,1160 2.965,1161 2.857,1162 4.153,1163 2.861,1164 3.026,1165 3.137,1166 2.805,1167 2.746,1168 4.018,1169 2.753,1170 0.163,1171 0.118,1172 0.239,1173 0.147,1174 0.113,1175 4.714,1176 0.162,1177 3.428,1178 0.034,1179 6.926,1180 0.403,1181 4.271,1182 0.112,1183 3.289,1184 4.684,1185 0.995,1186 11.679,1187 3.234,1188 1.921,1189 1.896,1190 2.035,1191 2.049,1192 1.32,1193 2.046,1194 1.845,1195 1.816,1196 1.937,1197 1.993,1198 1.125,1199 1.965,1200 1.671,1201 1.631,1202 1.769,1203 1.9,1204 0.837,1205 1.875,1206 1.244,1207 1.189,1208 1.59,1209 1.558,1210 0.69,1211 1.565,1212 1.227,1213 1.163,1214 1.564,1215 1.51,1216 0.613,1217 1.526,1218 1.115,1219 1.054,1220 1.429,1221 1.398,1222 0.584,1223 1.393,1224 1.082,1225 0.989,1226 1.361,1227 1.388,1228 0.516,1229 1.384,1230 0.965,1231 0.869,1232 1.265,1233 1.287,1234 0.212,1235 1.301,1236 4.078,1238 5.425,1239 2.398,1240 6.967,1241 4.844,1242 8.604,1243 7.066,1244 10.291,1246 3.3,1250 11.686,1252 3.129,1254 10.698,1257 2.298,1262 29.466,1263 77.404,1264 176.253,1265 212.801,1266 223.556,1267 223.556,1268 223.556,1269 34.954,1270 7.801,1271 112.66,1272 112.66,1273 23,1274 12.683,1275 4.087,1276 3.17,1277 38.146,1278 99,1279 84,1280 0.194,1281 179.327,1282 300.71,1283 429.319,1284 25801,1286 18.259,1287 0.702,1288 0.569,1289 18.259,1290 14.782,1291 12.567,1292 0.433,1293 0.288,1294 8.154,1295 11.839,1296 7.926,1297 6.563,1298 12.567,1299 8.346,1300 11.587,1301 0.276,1302 0.151,1303 11.587,1304 6.333,1305 9.752,1306 0.171,1307 0.081,1308 9.752,1309 4.642,1310 8.85,1311 0.109,1312 0.043,1313 8.85,1314 3.444,1315 7.123,1316 0.069,1317 0.024,1318 7.123,1319 2.432,1320 0.304,1321 80.457,1322 0.228,1323 24.949,1324 0.534,1325 142,1326 438.766,1327 160.54,1328 414.09,1329 573.39,1330 390,1331 170,1332 431.8,1333 188.515,1334 436.176,1335 640.18,1336 406,1337 4.642}
{0 CHEMBL285279,1 1.603,2 10.708,3 2.584,4 6.678,5 93.694,6 7.183,7 0.48,8 3.91,9 4.04,10 3.41,11 3.373,12 5.099,13 3.363,14 4.404,15 4.585,16 3.719,17 3.734,18 5.616,19 3.685,20 4.627,21 4.832,22 3.739,23 3.876,24 5.671,25 3.8,26 4.733,27 4.966,28 3.653,29 3.897,30 5.747,31 3.785,32 4.723,33 4.972,34 3.615,35 3.875,36 5.668,37 3.75,38 4.703,39 4.958,40 3.649,41 3.797,42 5.716,43 3.696,44 4.578,45 4.809,46 3.592,47 3.717,48 5.633,49 3.628,50 4.606,51 4.869,52 3.382,53 3.592,54 5.689,55 3.486,56 0.086,57 0.663,58 10.031,59 3.915,60 16.832,61 5.364,62 0.341,63 0.982,64 17.765,65 6.861,66 51.605,67 9.343,68 0.286,69 1.16,70 22.728,71 7.927,72 47.391,73 11.405,74 0.424,75 1.21,76 26.186,77 8.797,78 62.255,79 12.732,80 0.301,81 1.181,82 25.912,83 8.924,84 52.942,85 13.243,86 0.511,87 1.107,88 26.256,89 8.143,90 61.663,91 12.239,92 0.244,93 1.037,94 22.187,95 7.188,96 35.838,97 10.802,98 0.485,99 0.971,100 24.198,101 6.147,102 67.682,103 9.803,104 34,105 33,106 0.279,107 0.652,108 0.818,109 0.874,110 0.889,111 0.889,112 3.228,113 0.928,114 -3.7,115 -3.67,116 -3.49,119 37,121 5,124 1,139 3,140 3,141 1,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 10,167 1,169 1,170 5,172 3,173 4,175 2,178 11,179 1,180 1,182 6,187 2,189 11,190 1,191 1,193 5,195 1,196 1,197 1,198 3,200 2,201 9,202 1,204 2,205 1,207 4,212 3,215 7,216 1,218 2,220 2,221 6,223 1,224 1,226 4,229 4,230 2,231 3,234 7,239 5,241 2,242 2,243 3,246 5,248 1,249 1,251 5,254 1,255 1,256 3,260 3,261 1,265 4,269 1,270 3,273 946,274 15.87,275 15.87,276 15.87,277 15.87,278 15.87,279 14.11,280 21.377,281 9.542,282 16.227,283 12.276,284 12.276,285 12.276,286 12.276,287 12.276,288 9.602,289 24.119,290 4.485,291 12.758,292 3.921,293 1.774,294 0.815,295 0.495,296 0.408,297 0.408,298 3.89,300 1,301 1,302 1,303 521,304 3.464,307 169.844,314 1.733,315 27.152,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 53,327 257,328 4.331,329 3.596,330 6.251,331 3.956,332 2.98,333 3.975,334 2.341,335 9.444,336 2.911,337 4.161,338 3.255,339 5.984,340 3.722,341 2.765,342 3.813,343 0.86,344 8.479,345 2.65,346 3.581,347 2.933,348 5.253,349 3.288,350 2.301,351 2.884,352 0.68,353 6.648,354 2.262,355 3.537,356 2.581,357 4.963,358 3.2,359 2.203,360 2.747,362 5.821,363 2.174,364 3.439,365 2.324,366 4.657,367 3.024,368 2.1,369 2.707,371 5.177,372 1.934,373 2.928,374 1.937,375 4.42,376 2.544,377 1.596,378 2.074,380 4.275,381 1.509,382 2.773,383 1.576,384 4.075,385 2.377,386 1.384,387 1.889,389 3.499,390 1.369,391 2.493,392 1.479,393 3.511,394 2.292,395 1.339,396 1.476,398 2.857,399 1.271,400 1.904,401 1.121,402 3.122,403 1.638,404 0.713,405 0.818,407 1.393,408 0.65,409 1.59,410 0.81,411 2.882,412 1.358,413 0.38,414 0.437,415 0.884,416 0.369,417 1.452,418 0.615,419 2.631,420 1.213,421 0.287,422 0.323,423 0.53,424 0.264,425 0.971,426 0.397,427 2.359,428 0.655,429 -0.285,430 -0.335,431 -0.551,432 -0.265,433 0.807,434 0.091,435 2.301,436 0.504,437 -0.486,438 -0.567,439 -1.24,440 -0.464,441 0.783,442 -0.169,443 2.175,444 0.392,445 -0.516,446 -0.621,448 -1.267,449 -0.48,450 0.499,451 -0.314,452 1.932,453 0.099,454 -0.905,455 -1.023,457 -2,458 -0.853,459 11.1,460 0.463,461 0.596,462 0.025,463 30,464 1.25,465 15,466 0.625,467 15,468 0.625,469 18.999,470 0.792,471 27.3,472 0.593,473 21.868,474 0.911,475 5.965,476 0.249,477 5.526,478 0.23,479 0.177,481 0.315,485 0.945,486 1.282,487 0.881,488 1.113,489 0.902,490 0.992,491 0.636,492 0.959,493 0.825,494 1.05,495 0.406,496 0.997,497 0.947,498 1.182,499 1.028,500 1.144,501 0.909,502 1.111,503 0.935,504 0.97,505 1.103,506 1.08,507 0.82,508 1.123,509 0.707,510 1.095,511 0.957,512 1.138,513 0.742,514 1.105,515 0.828,516 0.909,517 0.871,518 0.899,519 0.743,520 0.902,521 0.854,522 1.334,523 0.956,524 1.24,525 0.593,526 1.14,527 1.215,528 0.929,529 1.197,530 0.96,531 1.17,532 1.038,533 5.5,534 0.103,535 2.444,536 1.25,537 1.307,538 0.611,539 0.549,540 0.366,541 0.259,542 0.152,543 6013,544 19346,545 1.948,546 47.8,547 8,548 6,550 1,551 5,552 2,555 1.669,556 1.8,557 3.374,558 2.661,559 1,560 1,564 73.735,565 1.603,566 3.749,567 4.708,568 5.029,569 5.116,570 5.116,571 2.907,572 4.085,573 4.549,574 3.558,575 981.909,576 7.858,577 11921,579 1,581 1,582 254.084,583 1.49,584 4.498,585 0.22,586 0.009,587 0.074,588 0.038,589 0.045,590 0.022,591 0.019,592 0.014,593 0.013,594 0.01,595 0.462,596 0.17,597 1,598 1.725,599 115.56,600 -0.135,601 0.009,602 -0.007,603 0.047,604 -0.136,605 0.052,606 0.199,607 0.177,608 0.086,609 0.056,610 0.261,611 0.041,612 -0.121,613 -0.105,614 -0.107,615 -0.074,616 -0.112,617 -0.086,618 -0.099,619 0.047,620 -0.162,621 -0.054,622 -0.085,623 -0.114,624 -0.022,625 -0.115,626 -0.03,627 -0.096,628 -0.056,629 -0.069,630 0.074,631 0.034,632 0.102,633 0.091,634 0.009,635 0.096,636 -0.036,637 -0.328,638 -0.015,639 -0.212,640 0.053,641 -0.127,642 -0.175,643 0.042,644 -0.192,645 -0.062,646 -0.155,647 -0.111,648 2.427,649 3.558,650 0.5,651 23.868,652 1.007,653 1.138,654 2.474,655 6.122,656 0.636,657 3.258,658 3.526,659 3.689,660 3.871,661 4.078,662 4.094,663 4.111,664 4.143,665 4.205,666 4.143,667 6.354,668 0.608,669 330.43,670 3.258,671 4.762,672 5.565,673 6.409,674 7.235,675 8.085,676 8.924,677 9.778,678 10.624,679 11.481,680 8.7,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 1,718 46,719 13,720 1,721 25,723 47,724 17,725 10,726 3,727 3,729 2,730 2,739 5,741 11,742 6,744 1,748 1,751 1,753 1,754 1,757 22,758 7,759 5,760 7,764 4,769 1,770 3,776 1,781 2,792 1,800 1,802 2,806 1,810 24,811 2,815 1,816 5,818 1,829 6.5,831 1,832 1,834 1,836 13.333,837 8.183,838 5.472,839 2.586,840 2.344,841 1.355,842 0.926,843 6.526,844 8.946,845 3.497,846 4.043,847 4.494,848 4.985,849 5.509,850 5.608,851 5.789,852 6.124,853 6.463,854 6.672,855 1,856 33,857 8.808,859 3.584,860 7.986,861 16.516,863 12.894,865 2.486,866 59.667,869 1,870 200.109,871 80.969,872 99.365,874 78.828,877 80.969,878 278.937,879 99.365,880 10.883,881 12.673,882 94.223,883 114.08,884 34.847,885 4.227,886 188.338,888 200.109,889 180.334,890 78.828,893 200.109,894 78.828,897 23.619,898 123.144,899 33.571,901 200.109,902 178.194,903 80.969,906 200.109,907 32.61,908 48.359,910 178.194,911 200.109,912 178.194,913 80.969,915 0.568,916 0.31,917 0.157,918 0.087,919 13,920 7,921 0.17,922 8,924 1,925 3.593,926 177.208,928 12,929 110.039,933 18.174,934 8.618,935 5.459,937 178.194,938 7.578,939 7.954,943 4.164,945 108.478,946 459.271,947 32,951 10.558,954 -0.76,956 46.342,957 52.358,958 0.29,959 0.679,960 0.852,961 0.91,962 0.926,963 0.926,964 4.7,965 1.339,966 5.533,967 3.499,968 4.205,969 4.727,970 2.482,971 6.267,972 4.135,973 5.89,974 0.713,975 7.05,976 2.857,977 3.761,978 4.543,979 2.243,980 7.034,981 3.658,982 7.179,983 0.38,984 8.662,985 1.393,986 5.727,987 6.856,988 3.668,989 10.06,990 5.601,991 8.5,992 0.287,993 10.329,994 0.884,995 6.043,996 7.416,997 4.112,998 11.622,999 5.879,1000 9.848,1001 -0.285,1002 12.031,1003 0.53,1004 7.503,1005 9.257,1006 5.207,1007 14.17,1008 7.324,1009 11.214,1010 -0.486,1011 13.758,1012 -0.551,1013 8.188,1014 10.174,1015 5.889,1016 16.083,1017 7.971,1018 12.596,1019 -0.516,1020 15.503,1021 -1.24,1022 9.43,1023 11.803,1024 6.849,1025 18.446,1026 9.198,1027 2.98,1028 -0.905,1029 17.262,1030 -1.267,1031 10.306,1032 12.914,1033 7.625,1034 20.524,1035 10.038,1036 2.765,1037 9.444,1038 19.032,1039 -2,1040 11.45,1041 14.431,1042 8.526,1043 22.809,1044 11.164,1045 2.301,1046 8.479,1047 20.811,1048 3.975,1049 12.424,1050 15.649,1051 9.342,1052 24.965,1053 12.105,1054 2.203,1055 6.648,1056 22.598,1057 3.813,1058 13.525,1059 17.104,1060 10.216,1061 27.217,1062 13.187,1063 2.1,1064 5.821,1065 24.39,1066 2.884,1067 14.549,1068 18.385,1069 11.051,1070 29.41,1071 14.181,1072 1.596,1073 5.177,1074 26.187,1075 2.747,1076 15.633,1077 19.803,1078 11.912,1079 31.649,1080 15.244,1081 1.384,1082 4.275,1083 27.988,1084 2.707,1085 16.682,1086 21.12,1087 12.755,1088 33.863,1089 16.267,1090 6186,1091 11178,1092 16.008,1093 29.239,1094 36.219,1095 37.091,1096 37.433,1097 36.106,1098 36.094,1099 46.286,1100 7.762,1101 98.017,1102 34.727,1103 5.218,1104 5.596,1105 5.94,1106 5.025,1107 4.98,1108 6.975,1109 3.925,1110 15.9,1111 4.911,1112 14.358,1113 1.449,1114 1.484,1115 1.497,1116 1.444,1117 1.444,1118 1.851,1119 0.31,1120 3.921,1121 1.389,1122 4.002,1123 4.033,1124 3.948,1125 3.927,1126 7.474,1127 3.926,1128 3.823,1129 3.875,1130 3.776,1131 3.671,1132 6.351,1133 3.689,1134 3.688,1135 3.728,1136 3.574,1137 3.533,1138 5.291,1139 3.532,1140 3.383,1141 3.418,1142 3.268,1143 3.169,1144 4.979,1145 3.185,1146 3.222,1147 3.303,1148 3.076,1149 2.988,1150 4.841,1151 2.999,1152 3.169,1153 3.241,1154 3,1155 2.91,1156 4.448,1157 2.918,1158 3.001,1159 3.122,1160 2.843,1161 2.695,1162 4.377,1163 2.714,1164 2.868,1165 2.93,1166 2.67,1167 2.647,1168 3.991,1169 2.651,1170 0.173,1171 0.144,1172 0.25,1173 0.158,1174 0.119,1175 4.331,1176 0.159,1177 3.596,1178 0.094,1179 6.251,1180 0.378,1181 3.956,1182 0.116,1183 2.98,1184 3.975,1185 2.341,1186 9.444,1187 2.911,1188 1.964,1189 1.941,1190 2.08,1191 2.063,1192 1.35,1193 2.066,1194 1.766,1195 1.718,1196 1.927,1197 1.948,1198 1.184,1199 1.937,1200 1.655,1201 1.608,1202 1.811,1203 1.84,1204 0.935,1205 1.841,1206 1.313,1207 1.271,1208 1.592,1209 1.577,1210 0.718,1211 1.575,1212 1.172,1213 1.092,1214 1.506,1215 1.473,1216 0.565,1217 1.485,1218 1.121,1219 1.052,1220 1.384,1221 1.403,1222 0.401,1223 1.401,1224 0.908,1225 0.798,1226 1.235,1227 1.291,1228 0.258,1229 1.292,1230 0.829,1231 0.77,1232 1.127,1233 1.12,1234 0.049,1235 1.122,1236 3.932,1238 5.209,1240 6.671,1242 8.223,1244 9.826,1246 1.619,1250 11.419,1251 8.684,1252 3.041,1254 5.409,1262 27.971,1263 73.735,1264 172.468,1265 216.574,1266 231.329,1267 235.329,1268 235.329,1269 51.845,1270 6.603,1271 124.35,1272 124.35,1273 12,1274 12.036,1275 3.807,1276 3,1277 48.426,1278 87,1279 100,1280 0.264,1281 177.728,1282 308.03,1283 425.415,1284 5757,1286 17.527,1287 0.73,1288 0.569,1289 17.527,1290 13.658,1291 11.49,1292 0.46,1293 0.309,1294 7.616,1295 10.982,1296 7.421,1297 6.201,1298 11.49,1299 7.737,1300 10.177,1301 0.308,1302 0.169,1303 10.177,1304 5.563,1305 7.631,1306 0.196,1307 0.096,1308 7.631,1309 3.748,1310 5.965,1311 0.127,1312 0.053,1313 5.965,1314 2.507,1315 4.633,1316 0.08,1317 0.029,1318 4.633,1319 1.68,1320 0.416,1321 72.652,1322 0.25,1323 23.724,1324 0.717,1325 116,1326 375.535,1327 129.357,1328 361.141,1329 476.46,1330 334,1331 130,1332 336.184,1333 140.977,1334 341.872,1335 486.85,1336 318,1337 5.495}
{0 CHEMBL285448,1 1.622,2 12.308,3 2.498,4 6.24,5 99.787,6 7.209,7 0.444,8 3.997,9 4.121,10 3.499,11 3.429,12 5.18,13 3.428,14 4.5,15 4.677,16 3.799,17 3.772,18 5.707,19 3.736,20 4.717,21 4.922,22 3.814,23 3.894,24 5.763,25 3.836,26 4.782,27 5.006,28 3.734,29 3.907,30 5.814,31 3.817,32 4.792,33 5.033,34 3.703,35 3.893,36 5.768,37 3.787,38 4.749,39 4.994,40 3.736,41 3.81,42 5.781,43 3.73,44 4.663,45 4.878,46 3.67,47 3.727,48 5.813,49 3.653,50 4.583,51 4.833,52 3.43,53 3.67,54 5.554,55 3.555,56 0.11,57 0.704,58 10.978,59 4.259,60 17.886,61 5.787,62 0.419,63 1.025,64 19.868,65 7.269,66 56.678,67 9.833,68 0.438,69 1.186,70 25.568,71 8.182,72 55.714,73 11.779,74 0.538,75 1.218,76 27.81,77 8.832,78 67.302,79 12.715,80 0.542,81 1.198,82 28.366,83 9.042,84 62.31,85 13.415,86 0.562,87 1.118,88 27.525,89 8.207,90 64.312,91 12.364,92 0.778,93 1.029,94 25.307,95 7.282,96 74.304,97 10.763,98 0.43,99 0.99,100 22.959,101 6.76,102 47.681,103 10.462,104 36,105 35,106 0.277,107 0.642,108 0.823,109 0.886,110 0.893,111 0.893,112 3.303,113 0.931,114 -3.46,115 -3.44,116 -3.29,119 36,121 5,124 1,125 1,139 3,140 2,141 2,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 7,167 1,169 1,170 8,172 3,173 4,175 2,178 6,179 1,180 1,182 9,187 2,189 5,190 1,191 1,193 6,195 1,196 1,197 1,198 3,200 2,201 4,202 1,204 2,205 1,206 1,207 5,212 3,215 5,218 2,220 2,221 2,222 1,223 1,224 1,226 2,229 5,231 2,233 3,234 3,236 1,237 2,239 2,241 6,243 2,246 1,248 1,249 1,251 1,254 4,255 2,256 1,260 5,262 1,263 1,265 4,268 2,269 2,270 2,273 1200,274 17.284,275 17.284,276 17.284,277 17.284,278 17.284,279 15.524,280 23.131,281 10.542,282 17.778,283 13.276,284 13.276,285 13.276,286 13.276,287 13.276,288 10.602,289 28.299,290 4.985,291 13.975,292 4.022,293 1.882,294 0.82,295 0.455,296 0.415,297 0.415,298 3.969,300 1,301 1,302 1,303 649,304 3.742,307 189.461,314 2,315 31.242,317 1,318 1,319 0.83,320 0.83,321 1,322 1,323 1,324 1,325 0.95,326 58,327 320,328 4.331,329 3.596,330 6.251,331 3.951,332 2.98,333 3.975,334 2.341,335 9.444,336 2.894,337 4.161,338 3.264,339 5.984,340 3.715,341 2.765,342 3.813,343 0.86,344 8.479,345 2.627,346 3.572,347 2.951,348 5.253,349 3.245,350 2.286,351 2.883,352 0.86,353 6.647,354 2.223,355 3.549,356 2.732,357 4.963,358 3.196,359 2.23,360 2.746,361 0.68,362 5.821,363 2.088,364 3.44,365 2.324,366 4.659,367 3.022,368 2.101,369 2.71,371 5.184,372 1.929,373 2.928,374 1.958,375 4.42,376 2.66,377 1.673,378 2.074,380 4.275,381 1.644,382 2.774,383 1.824,384 4.075,385 2.544,386 1.595,387 1.889,389 3.51,390 1.509,391 2.737,392 1.515,393 3.738,394 2.294,395 1.345,396 1.736,398 3.409,399 1.271,400 2.17,401 1.417,402 3.231,403 2.018,404 1.068,405 1.137,407 2.204,408 1.002,409 1.863,410 1.085,411 3.103,412 1.588,413 0.678,414 0.775,415 1.315,416 0.609,417 1.562,418 0.811,419 2.804,420 1.285,421 0.344,422 0.402,423 0.787,424 0.322,425 1.371,426 0.615,427 2.56,428 1.171,429 0.248,430 0.269,431 0.465,432 0.226,433 0.971,434 0.395,435 2.359,436 0.662,437 -0.271,438 -0.312,439 -0.518,440 -0.249,441 0.819,442 0.124,443 2.289,444 0.539,445 -0.43,446 -0.492,448 -1.065,449 -0.412,450 0.789,451 -0.134,452 2.17,453 0.392,454 -0.515,455 -0.621,457 -1.243,458 -0.466,459 11.933,460 0.459,461 0.596,462 0.023,463 32,464 1.231,465 15.5,466 0.596,467 16.5,468 0.635,469 21.009,470 0.808,471 30.067,472 0.601,473 23.903,474 0.919,475 6.388,476 0.246,477 6.102,478 0.235,479 0.165,481 0.293,485 0.951,486 1.356,487 0.871,488 1.197,489 0.904,490 1.03,491 0.814,492 1.011,493 0.86,494 1.092,495 0.458,496 1.013,497 1.121,498 1.14,499 1.024,500 1.079,501 0.956,502 1.041,503 1.07,504 0.992,505 1.117,506 1.081,507 0.891,508 1.109,509 0.834,510 1.051,511 0.969,512 1.07,513 0.797,514 1.056,515 0.867,516 0.997,517 0.863,518 0.981,519 0.78,520 0.935,521 1.025,522 1.053,523 1.059,524 1.012,525 0.803,526 1.054,527 0.874,528 1.039,529 1.116,530 1.082,531 0.671,532 1.129,533 5.5,534 0.116,535 2.444,536 1.25,537 1.307,538 0.667,539 0.508,540 0.335,541 0.271,542 0.147,543 7967,544 25744,545 1.952,546 48,547 6,548 8,550 1,551 5,552 2,553 2,555 1.688,556 1.814,557 3.554,558 2.596,559 1,560 1,564 81.095,565 1.622,566 3.762,567 4.823,568 5.189,569 5.229,570 5.229,571 3.094,572 4.47,573 4.663,574 3.759,575 1221.81,576 8.073,577 16179,579 1,581 1,582 282.193,583 1.448,584 4.62,585 0.204,586 0.007,587 0.07,588 0.036,589 0.042,590 0.022,591 0.016,592 0.012,593 0.012,594 0.007,595 0.429,596 0.17,597 1,598 2.008,599 130.322,600 -0.126,601 -0.046,602 0.003,603 -0.009,604 -0.131,605 0.028,606 0.116,607 0.119,608 0.068,609 0.013,610 0.24,611 0.018,612 -0.16,613 -0.088,614 -0.073,615 -0.029,616 -0.118,617 -0.032,618 -0.136,619 0.03,620 -0.161,621 -0.059,622 -0.108,623 -0.11,624 0.002,625 -0.078,626 -0.019,627 -0.043,628 -0.063,629 -0.036,630 0.059,631 -0.041,632 0.112,633 0.01,634 0.003,635 0.061,636 0.123,637 -0.076,638 -0.063,639 -0.023,640 0.057,641 -0.084,642 -0.088,643 -0.018,644 -0.168,645 -0.099,646 -0.07,647 -0.138,648 2.434,649 3.476,650 0.462,651 29.55,652 1.011,653 1.14,654 2.231,655 4.979,656 0.629,657 3.332,658 3.584,659 3.738,660 3.912,661 4.111,662 4.127,663 4.127,664 4.174,665 4.248,666 4.174,667 7.207,668 0.604,669 360.46,670 3.332,671 4.828,672 5.624,673 6.46,674 7.28,675 8.124,676 8.957,677 9.807,678 10.648,679 11.501,680 8,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 2,718 50,719 13,720 1,721 27,723 51,724 18,725 10,726 3,727 3,729 2,730 2,739 5,741 11,742 7,744 1,748 1,751 1,753 1,754 1,757 24,758 8,759 5,760 8,764 4,769 1,770 4,776 1,781 2,792 1,800 1,802 2,806 1,810 26,811 2,815 1,816 6,818 2,829 8,831 1,832 1,834 2,836 14.333,837 8.85,838 5.972,839 2.836,840 2.322,841 1.344,842 0.916,843 7.785,844 9.065,845 3.555,846 4.078,847 4.516,848 4.999,849 5.517,850 5.615,851 5.783,852 6.118,853 6.456,854 6.652,855 1,856 35,857 9.548,859 3.86,860 7.987,861 17.867,863 13.779,865 2.487,866 64.667,869 1,870 223.651,871 87.619,872 99.365,874 89.828,877 87.619,878 313.479,879 99.365,880 10.883,881 17.265,882 94.223,883 114.08,884 47.905,885 4.227,886 211.88,888 223.651,889 186.985,890 89.828,893 200.109,894 113.37,897 28.212,898 125.202,899 33.571,901 223.651,902 189.193,903 87.619,906 223.651,907 39.26,908 48.359,910 189.193,911 223.651,912 189.193,913 87.619,915 0.563,916 0.306,917 0.155,918 0.085,919 13,920 7,921 0.196,922 10,924 1,925 3.838,926 193.741,928 12,929 122.211,933 20.108,934 10.066,935 6.562,937 189.193,938 7.171,939 7.946,943 3.561,945 108.478,946 500.464,947 34,951 10.476,954 -0.767,956 50.552,957 56.983,958 0.287,959 0.666,960 0.855,961 0.919,962 0.926,963 0.926,964 4.754,965 1.345,966 5.58,967 3.51,968 4.263,969 4.762,970 2.599,971 6.297,972 4.168,973 5.928,974 1.068,975 7.084,976 3.409,977 3.761,978 4.543,979 2.243,980 7.034,981 3.627,982 7.208,983 0.678,984 8.686,985 2.204,986 5.765,987 6.868,988 3.696,989 10.068,990 5.592,991 8.52,992 0.344,993 10.346,994 1.315,995 6.043,996 7.416,997 4.112,998 11.622,999 5.827,1000 9.862,1001 0.248,1002 12.042,1003 0.787,1004 7.525,1005 9.26,1006 5.211,1007 14.172,1008 7.281,1009 11.225,1010 -0.271,1011 13.765,1012 0.465,1013 8.188,1014 10.174,1015 5.889,1016 16.083,1017 7.905,1018 12.603,1019 -0.43,1020 15.508,1021 -0.518,1022 9.441,1023 11.804,1024 6.85,1025 18.447,1026 9.133,1027 2.98,1028 -0.515,1029 17.265,1030 -1.065,1031 10.306,1032 12.914,1033 7.625,1034 20.524,1035 9.961,1036 2.765,1037 9.444,1038 19.034,1039 -1.243,1040 11.455,1041 14.431,1042 8.526,1043 22.809,1044 11.086,1045 2.286,1046 8.479,1047 20.813,1048 3.975,1049 12.424,1050 15.649,1051 9.342,1052 24.965,1053 12.02,1054 2.23,1055 6.647,1056 22.598,1057 3.813,1058 13.528,1059 17.104,1060 10.216,1061 27.217,1062 13.098,1063 2.101,1064 5.821,1065 24.39,1066 2.883,1067 14.549,1068 18.385,1069 11.051,1070 29.41,1071 14.088,1072 1.673,1073 5.184,1074 26.187,1075 2.746,1076 15.634,1077 19.803,1078 11.912,1079 31.649,1080 15.146,1081 1.595,1082 4.275,1083 27.988,1084 2.71,1085 16.682,1086 21.12,1087 12.755,1088 33.863,1089 16.164,1090 8148,1091 14740,1092 17.394,1093 31.455,1094 38.693,1095 39.789,1096 39.924,1097 38.62,1098 38.628,1099 48.818,1100 9.482,1101 103.081,1102 36.688,1103 5.255,1104 5.596,1105 6.078,1106 5.02,1107 4.98,1108 6.975,1109 3.925,1110 15.9,1111 4.894,1112 15.372,1113 1.433,1114 1.474,1115 1.479,1116 1.43,1117 1.431,1118 1.808,1119 0.351,1120 3.818,1121 1.359,1122 3.988,1123 4.017,1124 3.94,1125 3.895,1126 7.474,1127 3.901,1128 3.81,1129 3.855,1130 3.768,1131 3.648,1132 6.351,1133 3.671,1134 3.742,1135 3.791,1136 3.611,1137 3.601,1138 5.291,1139 3.592,1140 3.476,1141 3.509,1142 3.358,1143 3.253,1144 4.98,1145 3.267,1146 3.253,1147 3.311,1148 3.112,1149 3.015,1150 4.898,1151 3.028,1152 3.21,1153 3.293,1154 3.072,1155 2.961,1156 4.574,1157 2.975,1158 3.056,1159 3.134,1160 2.873,1161 2.767,1162 4.447,1163 2.783,1164 2.997,1165 3.092,1166 2.834,1167 2.694,1168 4.163,1169 2.714,1170 0.16,1171 0.133,1172 0.232,1173 0.146,1174 0.11,1175 4.331,1176 0.147,1177 3.596,1178 0.087,1179 6.251,1180 0.35,1181 3.951,1182 0.107,1183 2.98,1184 3.975,1185 2.341,1186 9.444,1187 2.894,1188 1.932,1189 1.912,1190 2.031,1191 2.05,1192 1.331,1193 2.042,1194 1.751,1195 1.703,1196 1.979,1197 1.939,1198 1.206,1199 1.945,1200 1.715,1201 1.668,1202 1.816,1203 1.89,1204 0.947,1205 1.881,1206 1.41,1207 1.366,1208 1.67,1209 1.663,1210 0.858,1211 1.658,1212 1.191,1213 1.124,1214 1.565,1215 1.508,1216 0.572,1217 1.525,1218 1.16,1219 1.086,1220 1.4,1221 1.429,1222 0.455,1223 1.426,1224 0.965,1225 0.914,1226 1.274,1227 1.315,1228 0.398,1229 1.303,1230 0.908,1231 0.797,1232 1.234,1233 1.275,1234 0.12,1235 1.275,1236 4.007,1238 5.273,1240 6.72,1242 8.26,1244 9.853,1246 1.602,1250 11.429,1251 8.616,1252 3.479,1254 11.153,1262 30.213,1263 81.095,1264 188.08,1265 241.173,1266 259.438,1267 261.438,1268 261.438,1269 60.165,1270 6.743,1271 133.58,1272 133.58,1273 12,1274 12.06,1275 3.807,1276 3,1277 55.206,1278 108,1279 126,1280 0.242,1281 191.316,1282 334.12,1283 458.571,1284 7214,1286 18.941,1287 0.728,1288 0.568,1289 18.941,1290 14.773,1291 12.49,1292 0.463,1293 0.31,1294 8.222,1295 11.845,1296 8.038,1297 6.705,1298 12.49,1299 8.377,1300 10.884,1301 0.311,1302 0.167,1303 10.884,1304 5.842,1305 8.131,1306 0.198,1307 0.094,1308 8.131,1309 3.853,1310 6.319,1311 0.129,1312 0.051,1313 6.319,1314 2.504,1315 4.879,1316 0.081,1317 0.027,1318 4.879,1319 1.608,1320 0.389,1321 79.56,1322 0.24,1323 25.74,1324 0.636,1325 124,1326 427.271,1327 140.9,1328 402.728,1329 530.86,1330 374,1331 138,1332 373.638,1333 152.299,1334 375.522,1335 536.41,1336 350,1337 4.77}
{0 CHEMBL286700,1 1.496,2 9.25,3 1.392,4 1.938,5 79.62,6 7.834,7 0.773,8 3.652,9 3.797,10 3.255,11 3.172,12 4.863,13 3.176,14 4.09,15 4.264,16 3.59,17 3.529,18 5.301,19 3.505,20 4.295,21 4.504,22 3.589,23 3.606,24 5.393,25 3.558,26 4.316,27 4.563,28 3.427,29 3.493,30 5.431,31 3.409,32 4.227,33 4.501,34 3.228,35 3.364,36 5.261,37 3.27,38 4.024,39 4.272,40 3.043,41 3.255,42 5.017,43 3.152,44 3.961,45 4.232,46 2.966,47 3.152,48 4.928,49 3.048,50 3.738,51 3.983,52 2.894,53 2.98,54 4.788,55 2.907,56 0.058,57 0.577,58 6.479,59 2.353,60 10.64,61 3.216,62 0.173,63 0.856,64 10.803,65 4.232,66 19.364,67 5.795,68 0.144,69 0.974,70 14.383,71 4.86,72 18.689,73 7.048,74 0.256,75 0.919,76 16.033,77 5.173,78 34.566,79 7.648,80 0.273,81 0.801,82 15.637,83 4.528,84 30.949,85 6.853,86 0.139,87 0.668,88 11.993,89 3.932,90 21.035,91 5.794,92 0.161,93 0.605,94 11.942,95 3.833,96 21.14,97 5.739,98 0.089,99 0.511,100 8.965,101 2.889,102 13.759,103 4.322,104 5,105 30,106 0.273,107 0.631,108 0.756,109 0.839,110 0.854,111 0.854,112 3.057,113 0.844,114 -3.64,115 -3.61,116 -3.44,119 41.2,125 1,139 6,140 2,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 7,169 2,170 3,172 3,173 3,175 3,178 6,180 1,182 3,185 1,187 4,189 3,191 1,192 1,195 3,196 3,197 1,198 3,200 2,201 1,204 1,205 1,207 1,210 2,211 1,212 2,214 1,215 3,218 1,221 2,229 4,234 4,238 1,239 1,240 1,241 3,243 1,246 5,251 2,254 1,256 2,260 4,265 3,270 3,273 466,274 13.585,275 13.585,276 13.585,277 13.585,278 13.585,279 11.497,280 16.037,281 8.156,282 13.878,283 10.888,284 10.888,285 10.888,286 10.888,287 10.888,288 7.817,289 23.348,290 3.93,291 11.376,292 3.592,293 1.633,294 0.949,295 0.493,296 0.412,297 0.412,298 3.741,300 1,301 1,302 1,303 400,304 2.236,307 160.195,311 82.75,314 1.45,315 15.012,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 43,327 185,328 4.541,329 3.122,330 6.502,331 4.036,332 3.078,333 4.491,334 0.657,335 10.175,336 2.95,337 3.913,338 2.796,339 5.406,340 3.541,341 2.559,342 3.451,344 7.147,345 2.519,346 3.749,347 2.474,348 5.24,349 3.31,350 2.355,351 3.224,353 6.685,354 2.243,355 3.429,356 2.165,357 5.062,358 2.968,359 2.039,360 2.811,362 5.801,363 1.888,364 3.371,365 2.03,366 4.966,367 2.88,368 1.958,369 2.697,371 5.741,372 1.801,373 2.916,374 1.593,375 3.711,376 2.486,377 1.492,378 2.086,380 3.148,381 1.483,382 2.5,383 1.059,384 3.639,385 2,386 1.008,387 1.5,389 2.565,390 1,391 2.454,392 1,393 3.247,394 1.945,395 1,396 1.434,398 2.136,399 0.942,400 1.907,401 0.881,402 3.166,403 1.628,404 0.687,405 0.81,407 1.615,408 0.645,409 1.368,410 0.169,411 2.721,412 0.95,413 0.022,414 0.029,415 0.055,416 0.02,417 0.976,418 -0.282,419 2.549,420 0.487,421 -0.433,422 -0.562,423 -1.125,424 -0.396,425 0.78,426 -0.335,427 2.392,428 0.409,429 -0.556,430 -0.688,431 -1.318,432 -0.535,433 0.562,434 -0.712,435 2.051,436 0.131,437 -0.815,438 -1.084,439 -2.08,440 -0.763,441 0.5,442 -0.797,443 1.562,444 0.05,445 -0.9,446 -1.204,448 -2.347,449 -0.864,450 0.414,451 -1,452 1.555,454 -1,455 -1.5,457 -2.452,458 -1,459 9.4,460 0.47,461 0.452,462 0.023,463 31,464 1.55,465 17.5,466 0.875,467 13.5,468 0.675,469 10.76,470 0.538,471 20.6,472 0.606,473 19.743,474 0.987,475 6.229,476 0.311,477 3.491,478 0.175,479 0.085,481 0.319,485 1.2,486 1.225,487 0.804,488 0.873,489 1.326,490 0.791,491 0.605,492 0.978,493 0.793,494 1.001,495 0.486,496 0.941,497 1.027,498 1.281,499 0.992,500 1.157,501 0.87,502 1.084,503 0.808,504 1.025,505 1.033,506 1.139,507 0.742,508 1.125,509 1.091,510 0.761,511 1.053,512 0.851,513 1.051,514 0.929,515 1.087,516 0.99,517 1.136,518 1.068,519 1.156,520 1.103,521 0.892,522 0.781,523 0.933,524 0.858,525 0.895,526 0.895,527 0.985,528 1.115,529 0.92,530 1.01,531 0.842,532 0.964,533 4,534 0.062,535 1.778,536 1,537 1.249,538 0.354,539 0.182,540 0.248,541 0.123,542 0.086,543 4058,544 11052,545 2.107,546 41.2,548 8,550 1,551 5,555 1.613,556 2,557 3.184,558 2.868,560 1,562 1,564 50.858,565 1.496,566 3.454,567 4.139,568 4.595,569 4.676,570 4.676,571 2.69,572 3.784,573 4.294,574 3.31,575 628.958,576 7.312,577 6456.33,578 1,579 1,582 172.974,583 1.295,584 4.266,585 0.182,586 0.009,587 0.059,588 0.034,589 0.054,590 0.019,591 0.011,592 0.017,593 0.009,594 0.008,595 0.402,596 0.5,597 1,598 0.548,599 89.233,600 -0.248,601 -0.037,603 0.099,604 -0.344,605 0.092,606 0.311,607 0.141,608 0.057,609 -0.015,610 0.266,611 -0.019,612 -0.079,613 -0.245,614 -0.083,615 -0.187,616 -0.072,617 -0.145,618 0.206,619 -0.059,620 -0.053,621 -0.185,622 0.221,623 -0.166,624 -0.018,625 0.172,626 -0.029,627 0.092,628 -0.028,629 0.041,630 -0.2,631 -0.043,632 -0.17,633 -0.076,634 -0.256,635 -0.111,636 -0.006,637 0.116,638 0.079,639 0.144,640 -0.018,641 0.129,642 -0.078,643 -0.17,644 0.054,645 -0.021,646 0.058,647 0.028,648 1.535,649 1.834,650 0.8,651 15.1,652 1.004,653 1.137,654 2.407,655 5.794,656 0.679,657 3.135,658 3.434,659 3.664,660 3.912,661 4.143,662 4.094,663 4.143,664 4.22,665 4.317,666 4.234,667 5.405,668 0.654,669 266.34,670 3.135,671 4.654,672 5.485,673 6.347,674 7.195,675 8.062,676 8.918,677 9.788,678 10.649,679 11.521,680 17.6,684 2,685 1,690 3,694 2,695 7,696 3,700 4,702 17,711 2,712 1,718 34,719 17,720 1,721 22,723 36,724 14,725 13,726 1,727 5,729 3,730 4,741 13,742 1,753 1,754 1,757 14,758 6,759 5,760 6,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,810 20,811 2,816 1,817 1,836 10,837 5.85,838 4.389,839 1.782,840 3.277,841 1.489,842 1.035,843 3.354,844 9.977,845 3.45,846 4.094,847 4.694,848 5.301,849 5.895,850 6.082,851 6.417,852 6.776,853 7.181,854 7.162,855 1,856 29,857 7.299,859 3.05,860 7.75,861 13.778,863 10.996,865 2.25,866 45,870 105.94,871 82.468,872 134.162,877 82.468,878 105.94,879 134.162,881 2.106,882 122.652,883 80.138,884 19.278,885 4.227,886 94.169,888 105.94,889 216.63,893 107.655,897 13.052,898 133.495,899 68.367,901 105.94,902 134.162,903 82.468,906 105.94,907 16.563,908 65.905,909 18.011,910 116.151,911 105.94,912 134.162,913 82.468,915 0.576,916 0.327,917 0.179,918 0.1,919 15,920 6,921 0.083,922 3,923 1,924 1.125,925 3.336,926 146.888,927 0.125,928 16,929 82.439,933 12.634,934 5.31,935 2.808,936 1.192,937 134.162,938 13.689,939 12.223,943 2.52,945 83.805,946 322.57,947 30.5,956 34.145,957 38.651,958 0.294,959 0.679,960 0.813,961 0.903,962 0.919,963 0.919,964 4.647,965 1,966 5.451,967 2.565,968 4.111,969 4.779,970 0.623,971 6.213,972 4.025,973 5.862,974 0.687,975 6.974,976 2.136,977 3.611,978 4.559,980 6.986,981 3.481,982 7.164,983 0.022,984 8.595,985 1.615,986 5.652,987 7.043,988 0.317,989 10.075,990 5.487,991 8.503,992 -0.433,993 10.273,994 0.055,995 5.943,996 7.644,998 11.689,999 5.735,1000 9.871,1001 -0.556,1002 11.99,1003 -1.125,1004 7.459,1005 9.595,1006 0.149,1007 14.297,1008 7.219,1009 11.262,1010 -0.815,1011 13.734,1012 -1.318,1013 8.149,1014 10.626,1016 16.298,1017 7.866,1018 12.672,1019 -0.9,1020 15.5,1021 -2.08,1022 9.432,1023 12.332,1024 0.067,1025 18.73,1026 9.117,1027 3.078,1028 -1,1029 17.282,1030 -2.347,1031 10.333,1032 13.597,1034 20.911,1035 9.973,1036 2.559,1037 10.175,1038 19.08,1039 -2.452,1040 11.513,1041 15.188,1042 0.03,1043 23.275,1044 11.117,1045 2.355,1046 7.147,1047 20.889,1048 4.491,1049 12.523,1050 16.574,1052 25.535,1053 12.081,1054 2.039,1055 6.685,1056 22.709,1057 3.451,1058 13.661,1059 18.113,1060 0.013,1061 27.873,1062 13.18,1063 1.958,1064 5.801,1065 24.537,1066 3.224,1067 14.726,1068 19.559,1070 30.166,1071 14.199,1072 1.492,1073 5.741,1074 26.373,1075 2.811,1076 15.849,1077 21.075,1078 0.006,1079 32.494,1080 15.28,1081 1.008,1082 3.148,1083 28.215,1084 2.697,1085 16.942,1086 22.551,1088 34.802,1089 16.327,1090 3910,1091 6573,1092 14.909,1093 23.08,1094 32.605,1095 32.504,1096 32.785,1097 32.406,1098 32.398,1099 45.063,1100 1.315,1101 90.134,1102 30.98,1103 5.36,1104 5.122,1105 6.304,1106 5.111,1107 5.078,1108 7.491,1109 1.315,1110 17.069,1111 4.95,1112 7.675,1113 1.482,1114 1.477,1115 1.49,1116 1.473,1117 1.473,1118 2.048,1119 0.06,1120 4.097,1121 1.408,1122 4.051,1123 4.096,1124 4.027,1125 3.925,1126 5.325,1127 3.943,1128 3.898,1129 3.933,1130 3.827,1131 3.831,1132 4.982,1133 3.827,1134 3.506,1135 3.581,1136 3.442,1137 3.293,1138 4.835,1139 3.323,1140 3.193,1141 3.28,1142 3.061,1143 3.007,1144 4.745,1145 3.007,1146 3.108,1147 3.223,1148 3.002,1149 2.813,1150 4.254,1151 2.849,1152 2.854,1153 2.925,1154 2.687,1155 2.735,1156 4.022,1157 2.715,1158 2.788,1159 2.876,1160 2.679,1161 2.558,1162 3.766,1163 2.585,1164 2.64,1165 2.754,1166 2.451,1167 2.341,1168 3.674,1169 2.354,1170 0.206,1171 0.142,1172 0.296,1173 0.183,1174 0.14,1175 4.541,1176 0.204,1177 3.122,1178 0.03,1179 6.502,1180 0.462,1181 4.036,1182 0.134,1183 3.078,1184 4.491,1185 0.657,1186 10.175,1187 2.95,1188 1.97,1189 1.935,1190 2.055,1191 2.121,1192 1.167,1193 2.096,1194 1.896,1195 1.866,1196 1.99,1197 1.989,1198 1.061,1199 2.001,1200 1.421,1201 1.354,1202 1.583,1203 1.673,1204 0.68,1205 1.652,1206 1.161,1207 1.088,1208 1.4,1209 1.412,1210 0.357,1211 1.417,1212 0.997,1213 0.899,1214 1.267,1215 1.372,1216 0.218,1217 1.354,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.006,1223 1.107,1224 0.719,1225 0.636,1226 0.984,1227 1.006,1229 1.007,1230 0.598,1231 0.479,1232 0.945,1233 0.914,1235 0.932,1236 3.807,1238 5.106,1240 6.608,1242 8.205,1244 9.854,1250 11.374,1252 0.712,1253 3.29,1262 22.236,1263 50.858,1264 117.448,1265 140.709,1266 156.219,1267 158.974,1268 158.974,1269 22.182,1270 6.7,1271 102.74,1272 102.74,1273 18,1274 12.065,1275 4.17,1276 3.248,1277 30.133,1278 65,1279 60,1280 0.231,1281 140.23,1282 225.86,1283 333.92,1284 6718,1286 13.949,1287 0.697,1288 0.537,1289 13.949,1290 10.745,1291 9.72,1292 0.442,1293 0.281,1294 6.102,1295 9.387,1296 5.984,1297 4.993,1298 9.72,1299 6.187,1300 8.738,1301 0.291,1302 0.147,1303 8.738,1304 4.401,1305 7.075,1306 0.186,1307 0.077,1308 7.075,1309 2.938,1310 5.981,1311 0.122,1312 0.04,1313 5.981,1314 1.949,1315 4.853,1316 0.078,1317 0.021,1318 4.853,1319 1.299,1320 0.361,1321 60.624,1322 0.259,1323 20.094,1324 0.63,1325 104,1326 287.893,1327 113.88,1328 290.955,1329 406.14,1330 272,1331 120,1332 310.479,1333 129.52,1334 318.096,1335 461.01,1336 299,1337 5.678}
{0 CHEMBL286820,1 1.64,2 9.381,3 2.318,4 5.373,5 84.473,6 8.526,7 0.739,8 3.677,9 3.808,10 3.409,11 3.27,12 4.884,13 3.234,14 4.124,15 4.29,16 3.771,17 3.631,18 5.328,19 3.562,20 4.272,21 4.45,22 3.82,23 3.704,24 5.446,25 3.617,26 4.287,27 4.51,28 3.671,29 3.621,30 5.401,31 3.486,32 4.186,33 4.411,34 3.401,35 3.488,36 5.229,37 3.345,38 4.088,39 4.335,40 3.336,41 3.327,42 5.102,43 3.207,44 3.968,45 4.235,46 3.134,47 3.226,48 4.869,49 3.098,50 3.718,51 3.912,52 3.109,53 3.07,54 4.888,55 3.015,56 0.055,57 0.602,58 6.346,59 2.802,60 10.242,61 3.326,62 0.18,63 0.916,64 13.56,65 5.367,66 19.537,67 6.32,68 0.233,69 1.046,70 16.019,71 5.651,72 23.098,73 6.603,74 0.252,75 0.981,76 18.553,77 6.535,78 30.414,79 8.04,80 0.193,81 0.862,82 18.103,83 5.909,84 25.699,85 6.962,86 0.212,87 0.764,88 14.794,89 4.242,90 25.373,91 5.771,92 0.128,93 0.638,94 15.022,95 5.003,96 16.094,97 6.519,98 0.099,99 0.563,100 7.659,101 2.597,102 13.878,103 3.477,104 10,105 32,106 0.298,107 0.676,108 0.813,109 0.875,110 0.875,111 0.875,112 3.103,113 0.958,114 -4.15,115 -4.09,116 -3.87,119 40,120 1,125 1,139 4,140 1,141 1,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 5,169 2,172 3,173 3,178 8,181 3,182 1,184 1,185 1,189 5,192 1,193 1,195 3,196 3,197 1,200 2,201 3,205 1,207 2,209 1,210 1,221 6,226 1,231 1,234 4,246 6,251 3,256 3,260 4,265 2,270 2,273 537,274 14.033,275 14.033,276 14.033,277 14.033,278 14.033,279 11.92,280 14.029,281 8.275,282 14.507,283 11.371,284 11.371,285 11.371,286 11.371,287 11.371,288 8.227,289 14.187,290 3.979,291 12.177,292 3.489,293 1.406,294 0.65,295 0.307,296 0.307,297 0.307,298 3.784,300 1,301 1,302 1,303 423,304 2.345,307 171.008,311 88.596,314 1.506,315 16.751,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 45,327 197,328 4.541,329 4.436,330 6.502,331 4.02,332 3.079,333 4.491,334 3.272,335 10.175,336 2.897,337 4.046,338 3.155,339 5.521,340 3.614,341 2.664,342 3.649,344 7.487,345 2.541,346 3.767,347 2.954,348 5.294,349 3.34,350 2.398,351 3.231,353 6.835,354 2.25,355 3.43,356 2.476,357 5.062,358 2.981,359 2.061,360 2.811,362 5.804,363 1.886,364 3.391,365 2.265,366 4.971,367 2.914,368 1.992,369 2.71,371 5.761,372 1.827,373 3.269,374 2.096,375 4.734,376 2.842,377 1.902,378 2.528,380 5.263,381 1.775,382 2.673,383 1.886,384 3.71,385 2.195,386 1.209,387 1.752,389 2.629,390 1.186,391 2.454,392 1.293,393 3.49,394 1.918,395 1.008,396 1.434,398 2.565,399 0.916,400 1.909,401 1.058,402 3.238,403 1.542,404 0.692,405 0.814,407 1.662,408 0.574,409 1.368,410 0.512,411 2.738,412 0.912,413 0.022,414 0.029,415 0.056,416 0.02,417 0.981,418 0.226,419 2.567,420 0.596,421 -0.392,422 -0.498,423 -0.879,424 -0.377,425 0.932,426 -0.133,427 2.428,428 0.474,429 -0.442,430 -0.569,431 -1.144,432 -0.409,433 0.731,434 -0.293,435 2.105,436 0.333,437 -0.592,438 -0.72,439 -1.596,440 -0.537,441 0.559,442 -0.491,443 2,444 0.113,445 -0.815,446 -1.087,448 -2.155,449 -0.75,450 0.417,451 -0.735,452 1.671,453 0.024,454 -0.907,455 -1.215,457 -2.499,458 -0.834,459 10.233,460 0.487,461 0.558,462 0.027,463 31.5,464 1.5,465 17.5,466 0.833,467 14,468 0.667,469 13.544,470 0.645,471 21.567,472 0.616,473 19.638,474 0.935,475 5.953,476 0.283,477 4.161,478 0.198,479 0.127,481 0.342,485 1.1,486 1.163,487 0.74,488 0.803,489 1.294,490 0.781,491 0.551,492 0.958,493 0.938,494 1.011,495 0.45,496 0.857,497 1.006,498 1.088,499 1.169,500 1.151,501 0.933,502 1.072,503 0.638,504 0.953,505 1.09,506 1.151,507 0.603,508 1.082,509 1.119,510 1.084,511 1.418,512 1.289,513 1.083,514 1.176,515 1.187,516 0.983,517 0.95,518 0.964,519 1.234,520 1.012,521 0.677,522 0.881,523 0.841,524 0.88,525 0.53,526 0.772,527 1.264,528 1.264,529 0.863,530 1.005,531 1.176,532 1.102,533 5,534 0.07,535 2,536 1.313,537 1.44,538 0.354,539 0.264,540 0.28,541 0.135,542 0.161,543 4587,544 13105,545 2.074,546 40,547 3,548 6,550 1,551 4,555 1.627,556 1.938,557 3.213,558 1.968,560 1,562 1,564 57.409,565 1.64,566 3.723,567 4.479,568 4.822,569 4.822,570 4.822,571 2.707,572 4.011,573 4.366,574 3.36,575 705.536,576 7.455,577 7558.98,578 1,579 1,581 1,582 179.525,583 1.418,584 4.322,585 0.217,586 0.007,587 0.063,588 0.042,589 0.058,590 0.018,591 0.016,592 0.016,593 0.008,594 0.012,595 0.457,596 0.5,597 1,598 0.61,599 95.599,600 -0.211,601 -0.032,602 0.035,603 0.107,604 -0.327,605 0.08,606 0.352,607 0.129,608 0.078,609 0.044,610 0.324,611 0.082,612 0.036,613 0.013,614 -0.12,615 -0.113,616 -0.068,617 -0.165,618 0.29,619 0.033,620 0.026,621 -0.066,622 0.303,623 -0.08,624 -0.161,625 -0.091,626 -0.252,627 -0.179,628 -0.101,629 -0.177,630 -0.164,631 -0.034,632 0.024,633 -0.015,634 -0.248,635 -0.039,636 0.108,637 -0.029,638 0.207,639 0.166,640 0.193,641 0.314,642 -0.244,643 -0.242,644 -0.136,645 -0.2,646 -0.167,647 -0.228,648 1.559,649 1.813,650 0.762,651 15.973,652 1.006,653 1.131,654 2.918,655 8.515,656 0.707,657 3.178,658 3.497,659 3.714,660 3.97,661 4.19,662 4.159,663 4.19,664 4.263,665 4.382,666 4.344,667 5.616,668 0.669,669 298.41,670 3.178,671 4.71,672 5.541,673 6.412,674 7.259,675 8.132,676 8.986,677 9.86,678 10.719,679 11.593,680 17.1,684 2,690 4,694 2,695 5,696 4,700 5,702 17,711 2,718 35,719 17,720 1,721 23,723 37,724 14,725 12,726 2,727 4,729 3,730 4,734 1,741 12,742 2,753 1,754 1,757 14,758 6,759 4,760 7,761 1,764 6,769 0.667,774 1,776 1,781 3,785 1,802 2,803 1,804 1,806 1,810 21,811 2,816 1,819 1,836 10.833,837 6.55,838 4.556,839 1.847,840 3.308,841 1.486,842 1.017,843 3.799,844 10.119,845 3.481,846 4.143,847 4.734,848 5.345,849 5.929,850 6.132,851 6.436,852 6.793,853 7.209,854 7.228,855 1,856 31,857 7.677,859 3.205,860 7.738,861 14.529,863 11.607,865 2.238,866 47,870 117.711,871 104.476,872 132.936,876 32.22,877 72.257,878 117.711,879 132.936,880 8.825,881 0.9,882 103.699,883 78.913,884 20.4,885 4.227,886 138.159,888 117.711,889 205.193,891 32.22,893 119.426,897 25.572,898 110.764,899 67.142,900 32.22,901 117.711,902 132.936,903 104.476,906 117.711,907 48.699,908 55.778,910 132.936,911 117.711,912 132.936,913 104.476,915 0.584,916 0.328,917 0.179,918 0.099,919 16,920 7,921 0.081,922 3,923 1,924 1.125,925 3.39,926 157.605,927 0.125,928 16,929 90.239,930 1,933 13.897,934 5.74,935 3.165,936 0.913,937 132.936,938 10.013,939 16.632,943 3.619,945 65.794,946 355.124,947 31.5,956 35.222,957 39.571,958 0.32,959 0.726,960 0.873,961 0.94,962 0.94,963 0.94,964 4.694,965 1.008,966 5.525,967 2.629,968 4.174,969 4.828,970 3.11,971 6.297,972 4.042,973 5.923,974 0.692,975 7.059,976 2.565,977 3.761,978 4.691,980 7.081,981 3.586,982 7.235,983 0.022,984 8.685,985 1.662,986 5.733,987 7.104,988 5.44,989 10.155,990 5.481,991 8.581,992 -0.392,993 10.363,994 0.056,995 6.066,996 7.744,998 11.748,999 5.766,1000 9.953,1001 -0.442,1002 12.077,1003 -0.879,1004 7.544,1005 9.656,1006 7.807,1007 14.354,1008 7.18,1009 11.346,1010 -0.592,1011 13.816,1012 -1.144,1013 8.252,1014 10.703,1016 16.337,1017 7.835,1018 12.757,1019 -0.815,1020 15.575,1021 -1.596,1022 9.515,1023 12.388,1024 10.177,1025 18.767,1026 9.04,1027 3.079,1028 -0.907,1029 17.35,1030 -2.155,1031 10.422,1032 13.657,1034 20.936,1035 9.888,1036 2.664,1037 10.175,1038 19.141,1039 -2.499,1040 11.59,1041 15.235,1042 12.548,1043 23.298,1044 11,1045 2.398,1046 7.487,1047 20.944,1048 4.491,1049 12.599,1050 16.619,1052 25.551,1053 11.947,1054 2.061,1055 6.835,1056 22.757,1057 3.649,1058 13.729,1059 18.15,1060 14.919,1061 27.886,1062 13.02,1063 1.992,1064 5.804,1065 24.58,1066 3.231,1067 14.79,1068 19.593,1070 30.176,1071 14.018,1072 1.902,1073 5.761,1074 26.411,1075 2.811,1076 15.907,1077 21.104,1078 17.29,1079 32.502,1080 15.076,1081 1.209,1082 5.263,1083 28.249,1084 2.71,1085 16.995,1086 22.575,1088 34.808,1089 16.101,1090 4446,1091 7666,1092 15.315,1093 24.728,1094 34.305,1095 37.253,1096 34.957,1097 33.986,1098 34.056,1099 46.897,1100 6.545,1101 96.473,1102 31.744,1103 5.363,1104 6.436,1105 6.063,1106 5.13,1107 5.079,1108 7.491,1109 6.545,1110 17.069,1111 4.897,1112 9.883,1113 1.492,1114 1.62,1115 1.52,1116 1.478,1117 1.481,1118 2.039,1119 0.285,1120 4.194,1121 1.38,1122 4.03,1123 4.079,1124 4.075,1125 3.914,1126 5.341,1127 3.907,1128 3.9,1129 3.927,1130 3.941,1131 3.819,1132 4.989,1133 3.831,1134 3.503,1135 3.566,1136 3.562,1137 3.378,1138 4.863,1139 3.356,1140 3.185,1141 3.262,1142 3.275,1143 3.065,1144 4.727,1145 3.03,1146 3.101,1147 3.22,1148 2.992,1149 2.914,1150 4.22,1151 2.876,1152 3.046,1153 3.121,1154 2.921,1155 2.779,1156 4.047,1157 2.821,1158 2.791,1159 2.859,1160 2.7,1161 2.637,1162 3.894,1163 2.639,1164 2.579,1165 2.703,1166 2.415,1167 2.333,1168 3.711,1169 2.311,1170 0.197,1171 0.193,1172 0.283,1173 0.175,1174 0.134,1175 4.541,1176 0.195,1177 4.436,1178 0.142,1179 6.502,1180 0.442,1181 4.02,1182 0.126,1183 3.079,1184 4.491,1185 3.272,1186 10.175,1187 2.897,1188 1.929,1189 1.899,1190 2.017,1191 2.104,1192 1.152,1193 2.067,1194 1.888,1195 1.851,1196 1.943,1197 1.969,1198 0.999,1199 1.992,1200 1.44,1201 1.392,1202 1.57,1203 1.645,1204 0.73,1205 1.638,1206 1.204,1207 1.131,1208 1.524,1209 1.407,1210 0.587,1211 1.457,1212 1.009,1213 0.946,1214 1.27,1215 1.378,1216 0.214,1217 1.359,1218 0.977,1219 0.873,1220 1.202,1221 1.228,1222 0.12,1223 1.258,1224 0.789,1225 0.718,1226 1.07,1227 0.976,1229 1.016,1230 0.548,1231 0.445,1232 0.913,1233 0.879,1235 0.899,1236 3.85,1238 5.165,1240 6.673,1242 8.276,1244 9.927,1246 2.072,1250 11.35,1252 0.705,1255 1.696,1262 23.423,1263 57.409,1264 130.306,1265 156.77,1266 168.77,1267 168.77,1268 168.77,1269 25.326,1270 6.811,1271 103.6,1272 128.9,1273 18,1274 12.136,1275 4.17,1276 3.248,1277 32.372,1278 71,1279 60,1280 0.226,1281 151.361,1282 244.37,1283 361.08,1284 7763,1286 14.82,1287 0.706,1288 0.584,1289 15.173,1290 12.262,1291 10.114,1292 0.44,1293 0.319,1294 6.363,1295 9.311,1296 6.077,1297 5.078,1298 10.568,1299 7.343,1300 9.372,1301 0.293,1302 0.177,1303 9.949,1304 5.655,1305 7.395,1306 0.185,1307 0.098,1308 8.072,1309 3.905,1310 6.327,1311 0.122,1312 0.054,1313 7.039,1314 2.812,1315 5.022,1316 0.077,1317 0.03,1318 5.685,1319 1.921,1320 0.355,1321 67.483,1322 0.256,1323 20.964,1324 0.613,1325 110,1326 316.065,1327 142.496,1328 337.691,1329 467.55,1330 316,1331 127,1332 339.663,1333 155.782,1334 360.056,1335 523.68,1336 337,1337 5.072}
{0 CHEMBL287240,1 1.665,2 11,3 1.955,4 3.823,5 106.908,6 7.558,7 0.516,8 4.066,9 4.182,10 3.641,11 3.48,12 5.211,13 3.507,14 4.604,15 4.779,16 4.011,17 3.865,18 5.691,19 3.881,20 4.727,21 4.874,22 4.127,23 4.038,24 5.807,25 4.03,26 4.921,27 5.11,28 4.137,29 4.11,30 5.982,31 4.063,32 5,33 5.209,34 3.91,35 4.066,36 5.974,37 3.992,38 4.911,39 5.152,40 3.732,41 3.993,42 5.782,43 3.864,44 4.871,45 5.16,46 3.641,47 3.811,48 5.674,49 3.707,50 4.64,51 4.879,52 3.58,53 3.697,54 5.569,55 3.614,56 0.124,57 0.761,58 10.811,59 4.183,60 11.908,61 5.52,62 0.561,63 1.149,64 21.81,65 7.024,66 35.435,67 9.25,68 0.56,69 1.359,70 22.948,71 8.173,72 25.433,73 11.047,74 0.628,75 1.503,76 29.573,77 10.442,78 45.497,79 14.575,80 1.029,81 1.477,82 34.957,83 9.848,84 65.138,85 13.636,86 0.611,87 1.382,88 31.307,89 10.242,90 45.228,91 14.964,92 0.741,93 1.178,94 33.355,95 8.88,96 50.708,97 13.672,98 0.692,99 1.004,100 24.802,101 7.223,102 42.092,103 10.549,104 35,105 45,106 0.28,107 0.611,108 0.742,109 0.777,110 0.786,111 0.813,112 3.375,113 0.859,114 -2.95,115 -2.96,116 -2.86,119 37.3,121 1,124 3,125 3,139 2,140 3,141 3,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 4,169 2,170 8,172 3,173 3,175 1,178 2,180 1,181 3,182 10,187 1,191 1,192 2,193 6,195 3,196 3,197 1,198 2,200 2,201 1,204 2,205 1,206 3,207 1,212 1,215 3,218 1,220 2,221 2,223 1,224 1,226 1,229 3,231 1,234 3,236 1,237 1,241 2,245 2,246 6,251 1,256 1,259 1,260 5,265 3,270 3,273 1120,274 19.091,275 19.091,276 19.091,277 19.091,278 19.091,279 17.139,280 29.071,281 10.876,282 19.878,283 15.13,284 15.13,285 15.13,286 15.13,287 15.13,288 11.889,289 40.209,290 4.905,291 16.121,292 4.007,293 2.034,294 1.256,295 1.045,296 0.991,297 0.829,298 4.07,300 1,301 1,302 1,303 665,304 3.082,306 47.771,307 215.873,310 187.132,314 1.643,315 28.844,318 1,319 0.83,320 1,321 1,322 0.5,323 1,324 1,325 0.9,326 62.5,327 308,328 4.714,329 3.433,330 6.926,331 4.271,332 3.289,333 4.684,334 0.995,335 11.679,336 3.234,337 4.422,338 3.376,339 6.524,340 4.013,341 3.065,342 4.105,343 0.86,344 10.263,345 2.901,346 3.912,347 2.964,348 5.853,349 3.595,350 2.656,351 3.36,352 0.86,353 8.18,354 2.493,355 3.643,356 2.617,357 5.485,358 3.32,359 2.372,360 2.925,361 0.86,362 7.253,363 2.248,364 3.446,365 2.555,366 5.19,367 3.013,368 2.07,369 2.821,370 0.359,371 6.178,372 1.945,373 3.355,374 2.287,375 5.166,376 2.972,377 2.061,378 2.604,380 6.118,381 1.884,382 3.325,383 2.142,384 5.026,385 2.94,386 1.989,387 2.583,389 5.89,390 1.867,391 3.01,392 1.958,393 4.891,394 2.677,395 1.725,396 2.093,398 5.34,399 1.635,400 2.666,401 1.876,402 4.402,403 2.425,404 1.451,405 1.702,407 4.034,408 1.409,409 2.195,410 1.762,411 3.78,412 1.97,413 1.144,414 1.182,415 2.399,416 0.941,417 1.78,418 1.033,419 3.384,420 1.546,421 0.578,422 0.675,423 1.502,424 0.558,425 1.576,426 0.916,427 2.965,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.429,434 0.684,435 2.859,436 1.193,437 0.343,438 0.365,439 0.473,440 0.289,441 1.201,442 0.384,443 2.735,444 0.94,450 1.106,451 0.025,452 2.514,453 0.712,454 -0.215,455 -0.275,457 -0.579,458 -0.199,459 12.833,460 0.458,461 0.725,462 0.026,463 36.25,464 1.295,465 16.5,466 0.589,467 19.75,468 0.705,469 23.607,470 0.843,471 31.567,472 0.619,473 27.968,474 0.999,475 7.476,476 0.267,477 6.057,478 0.216,479 0.179,481 0.421,485 0.998,486 1.485,487 0.783,488 1.247,489 1.093,490 0.995,491 1.222,492 0.76,493 0.78,494 0.704,495 0.775,496 0.656,497 0.924,498 1.284,499 0.942,500 1.18,501 0.837,502 1.078,503 0.743,504 1.278,505 0.915,506 1.316,507 0.583,508 1.192,509 1.553,510 0.937,511 1.382,512 0.976,513 1.505,514 1.13,515 0.812,516 1.115,517 1.154,518 1.27,519 0.937,520 1.293,521 1.007,522 0.673,523 0.863,524 0.705,525 0.907,526 0.74,527 0.997,528 0.859,529 1.028,530 0.914,531 0.958,532 0.965,533 6.5,534 0.221,535 2.889,536 3.229,537 1.937,538 1.119,539 0.525,540 0.415,541 0.26,542 0.262,543 9625,544 27719,545 2.072,546 45.1,548 17,551 4,553 2,555 1.709,556 1.909,557 3.416,558 1.733,559 1,560 1,564 84.932,565 1.665,566 3.638,567 4.417,568 4.628,569 4.682,570 4.844,571 2.856,572 4.522,573 4.782,574 3.577,575 1352.08,576 8.305,577 17673.4,579 1,581 1,582 289.294,583 1.497,584 4.723,585 0.21,586 0.01,587 0.064,588 0.066,589 0.041,590 0.031,591 0.018,592 0.015,593 0.01,594 0.01,595 0.476,596 0.17,597 1,598 0.961,599 140.172,600 -0.115,601 -0.216,602 0.058,603 -0.124,604 -0.155,605 -0.004,606 -0.079,607 0.337,608 0.176,609 0.315,610 0.128,611 0.301,612 0.05,613 -0.119,614 -0.051,615 -0.098,616 -0.002,617 -0.093,618 0.156,619 -0.23,620 0.008,621 -0.256,622 0.255,623 -0.18,624 -0.313,625 0.037,626 -0.379,627 -0.012,628 -0.411,629 -0.19,630 -0.031,631 -0.145,632 -0.206,633 -0.255,634 -0.147,635 -0.273,636 -0.071,637 0.165,638 0.177,639 0.222,640 -0.027,641 0.257,642 0.019,643 0.069,644 -0.028,645 0.063,646 -0.024,647 0.023,648 1.551,649 2.424,650 0.679,651 25.429,652 1.015,653 1.139,654 1.725,655 2.975,656 0.641,657 3.466,658 3.829,659 4.159,660 4.5,661 4.718,662 4.844,663 4.99,664 5.142,665 5.204,666 5.338,667 6.533,668 0.622,669 385.47,670 3.466,671 5.03,672 5.911,673 6.823,674 7.719,675 8.636,676 9.538,677 10.456,678 11.361,679 12.28,680 9.8,683 1,684 2,690 2,694 2,695 2,696 2,698 1,700 8,702 16,711 2,716 3,718 51,719 16,720 1,721 31,723 54,724 19,725 12,726 4,727 2,729 4,730 7,736 1,739 1,741 12,742 7,753 1,754 1,756 1,757 23,758 9,759 4,760 9,764 5,769 0.5,770 4,776 1,780 1,781 3,784 2,799 1,802 2,806 3,810 28,811 2,816 4,818 3,821 1,829 7.8,834 4,836 14.667,837 10.1,838 6.25,839 2.708,840 3.181,841 1.4,842 0.988,843 5.226,844 11.131,845 3.689,846 4.353,847 5.001,848 5.652,849 6.161,850 6.495,851 6.812,852 7.149,853 7.278,854 7.537,855 1,856 49,857 10.294,859 4.342,860 7.738,861 19.547,863 15.855,865 2.238,866 62.667,870 223.651,871 99.211,872 102.49,874 42.507,877 99.211,878 266.158,879 102.49,880 32.649,881 8.852,882 84.747,883 37.978,884 70.306,885 9.676,886 223.651,888 223.651,889 201.701,890 42.507,893 200.109,894 66.049,897 18.282,898 149.847,899 33.571,901 223.651,902 144.997,903 99.211,906 223.651,907 47.609,908 54.726,910 141.872,911 223.651,912 144.997,913 99.211,915 0.582,916 0.363,917 0.215,918 0.114,919 23,920 11,921 0.093,922 5,923 2,924 1.211,925 3.864,926 252.075,927 0.211,928 19,929 126.606,933 19.111,934 7.656,935 3.487,936 1.223,937 144.997,938 3.916,939 8.224,941 5.924,943 5.301,945 65.794,946 467.859,947 39,956 51.771,957 58.066,958 0.294,959 0.641,960 0.779,961 0.816,962 0.825,963 0.854,964 4.956,965 1.725,966 5.922,967 5.89,968 4.511,969 5.04,970 2.013,971 6.792,972 4.402,973 6.188,974 1.451,975 7.516,976 5.34,977 4.205,978 5.047,979 0.325,980 7.784,981 4.067,982 7.528,983 1.144,984 9.205,985 4.034,986 6.163,987 7.341,988 1.747,989 10.914,990 5.98,991 8.904,992 0.578,993 10.95,994 2.399,995 6.648,996 8.159,997 0.504,998 12.729,999 6.442,1000 10.312,1001 0.396,1002 12.73,1003 1.502,1004 8.102,1005 9.973,1006 1.534,1007 15.394,1008 7.866,1009 11.744,1010 0.343,1011 14.536,1012 0.603,1013 8.958,1014 11.173,1015 0.585,1016 17.572,1017 8.703,1018 13.194,1020 16.362,1021 0.473,1022 10.222,1023 12.806,1024 1.356,1025 20.08,1026 9.945,1027 3.289,1028 -0.215,1029 18.204,1031 11.251,1032 14.184,1033 0.622,1034 22.412,1035 10.957,1036 3.065,1037 11.679,1038 20.06,1039 -0.579,1040 12.446,1041 15.748,1042 1.208,1043 24.869,1044 12.134,1045 2.656,1046 10.263,1047 21.927,1048 4.684,1049 13.553,1050 17.209,1051 0.639,1052 27.264,1053 13.225,1054 2.372,1055 8.18,1056 23.803,1057 4.105,1058 14.725,1059 18.748,1060 1.086,1061 29.707,1062 14.381,1063 2.07,1064 7.253,1065 25.687,1066 3.36,1067 15.866,1068 20.246,1069 0.646,1070 32.129,1071 15.508,1072 2.061,1073 6.178,1074 27.577,1075 2.925,1076 17.035,1077 21.779,1078 0.986,1079 34.57,1080 16.661,1081 1.989,1082 6.118,1083 29.473,1084 2.821,1085 18.192,1086 23.295,1087 0.648,1088 37.005,1089 17.804,1090 9258,1091 15832,1092 20.403,1093 32.699,1094 46.237,1095 47.665,1096 49.508,1097 46.185,1098 46.284,1099 59.1,1100 7.867,1101 139.823,1102 43.493,1103 5.659,1104 5.433,1105 6.469,1106 5.343,1107 5.289,1108 7.684,1109 1.855,1110 18.832,1111 5.234,1112 15.649,1113 1.492,1114 1.538,1115 1.597,1116 1.49,1117 1.493,1118 1.906,1119 0.254,1120 4.51,1121 1.403,1122 4.127,1123 4.148,1124 4.104,1125 3.984,1126 5.355,1127 4.009,1128 3.943,1129 3.954,1130 3.905,1131 3.844,1132 4.983,1133 3.856,1134 3.644,1135 3.712,1136 3.563,1137 3.434,1138 4.972,1139 3.457,1140 3.331,1141 3.387,1142 3.235,1143 3.101,1144 4.925,1145 3.123,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.217,1153 3.291,1154 3.057,1155 2.945,1156 4.465,1157 2.961,1158 3.183,1159 3.252,1160 2.994,1161 2.902,1162 4.291,1163 2.902,1164 3.111,1165 3.216,1166 2.955,1167 2.855,1168 4.144,1169 2.861,1170 0.152,1171 0.111,1172 0.223,1173 0.138,1174 0.106,1175 4.714,1176 0.151,1177 3.433,1178 0.032,1179 6.926,1180 0.377,1181 4.271,1182 0.104,1183 3.289,1184 4.684,1185 0.995,1186 11.679,1187 3.234,1188 1.918,1189 1.897,1190 2.027,1191 2.051,1192 1.321,1193 2.044,1194 1.843,1195 1.817,1196 1.927,1197 1.995,1198 1.126,1199 1.964,1200 1.671,1201 1.632,1202 1.768,1203 1.904,1204 0.836,1205 1.875,1206 1.272,1207 1.222,1208 1.59,1209 1.558,1210 0.691,1211 1.565,1212 1.227,1213 1.163,1214 1.582,1215 1.542,1216 0.622,1217 1.553,1218 1.165,1219 1.079,1220 1.561,1221 1.495,1222 0.584,1223 1.517,1224 1.115,1225 1.054,1226 1.421,1227 1.397,1228 0.569,1229 1.391,1230 1.061,1231 0.969,1232 1.326,1233 1.384,1234 0.489,1235 1.375,1236 4.143,1238 5.493,1239 2.398,1240 7.047,1241 4.844,1242 8.699,1243 7.066,1244 10.402,1246 4.814,1250 11.714,1252 2.991,1254 16.283,1257 2.276,1262 31.707,1263 84.932,1264 185.542,1265 225.255,1266 236.009,1267 238.764,1268 247.029,1269 41.548,1270 7.951,1271 121.89,1272 121.89,1273 23,1274 12.792,1275 4.087,1276 3.17,1277 42.555,1278 112,1279 95,1280 0.19,1281 192.916,1282 326.8,1283 462.475,1284 30739,1286 19.836,1287 0.708,1288 0.575,1289 19.836,1290 16.112,1291 13.533,1292 0.437,1293 0.286,1294 8.647,1295 12.665,1296 8.377,1297 6.958,1298 13.533,1299 8.881,1300 12.212,1301 0.271,1302 0.148,1303 12.212,1304 6.645,1305 10.6,1306 0.168,1307 0.079,1308 10.6,1309 4.955,1310 9.773,1311 0.11,1312 0.042,1313 9.773,1314 3.713,1315 7.685,1316 0.069,1317 0.023,1318 7.685,1319 2.596,1320 0.299,1321 87.365,1322 0.221,1323 26.54,1324 0.522,1325 152,1326 494.502,1327 173.418,1328 460.216,1329 635.02,1330 434,1331 184,1332 474.346,1333 206.722,1334 478.648,1335 705.46,1336 444,1337 4.456}
{0 CHEMBL287241,1 1.641,2 7.947,3 1.56,4 2.434,5 75.046,6 7.438,7 0.6,8 3.662,9 3.791,10 3.208,11 3.095,12 4.876,13 3.108,14 4.125,15 4.303,16 3.508,17 3.419,18 5.295,19 3.412,20 4.216,21 4.373,22 3.53,23 3.551,24 5.331,25 3.519,26 4.371,27 4.589,28 3.449,29 3.568,30 5.457,31 3.48,32 4.402,33 4.652,34 3.338,35 3.492,36 5.37,37 3.401,38 4.251,39 4.47,40 3.23,41 3.352,42 5.285,43 3.279,44 4.238,45 4.516,46 3.199,47 3.207,48 5.304,49 3.104,50 3.953,51 4.206,52 2.815,53 2.937,54 5.006,55 2.845,56 0.073,57 0.516,58 7.401,59 2.725,60 11.123,61 3.735,62 0.303,63 0.728,64 13.443,65 4.654,66 27.133,67 6.125,68 0.196,69 0.839,70 13.774,71 4.866,72 18.042,73 6.74,74 0.326,75 0.882,76 17.314,77 5.893,78 34.675,79 8.605,80 0.33,81 0.818,82 19.27,83 5.816,84 33.734,85 8.656,86 0.294,87 0.725,88 15.983,89 4.618,90 29.095,91 6.8,92 0.475,93 0.631,94 17.149,95 4.857,96 38.425,97 7.691,98 0.219,99 0.512,100 12.284,101 3.094,102 23.458,103 4.999,104 21,105 27,106 0.304,107 0.651,108 0.748,109 0.784,110 0.784,111 0.784,112 3.01,113 0.856,114 -2.99,115 -2.99,116 -2.88,119 37.1,121 1,124 2,139 3,140 2,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 6,172 3,173 3,175 1,178 6,180 1,182 4,187 1,189 3,191 1,192 1,193 6,195 1,196 1,197 1,198 2,200 2,201 1,204 2,205 1,207 6,212 3,215 1,218 3,226 1,231 1,233 4,234 2,236 2,237 2,239 3,243 3,262 2,263 2,265 1,270 1,273 419,274 12.704,275 12.704,276 12.704,277 12.704,278 12.704,279 11.179,280 20.396,281 7.454,282 13.242,283 9.749,284 9.749,285 9.749,286 9.749,287 9.749,288 7.372,289 29.289,290 3.417,291 10.417,292 3.489,293 1.622,294 1.093,295 0.9,296 0.9,297 0.9,298 3.665,300 1,301 1,302 1,303 308,304 2.449,307 126.214,314 1.119,315 17.226,317 1,318 1,319 1,320 1,321 1,323 1,324 1,325 0.86,326 42,327 151,328 4.284,329 3.175,330 6.103,331 3.893,332 2.923,333 3.931,334 0.86,335 8.948,336 2.838,337 4.143,338 2.967,339 5.756,340 3.698,341 2.747,342 3.789,343 0.86,344 8.153,345 2.612,346 3.508,347 2.555,348 5.061,349 3.12,350 2.185,351 2.821,352 0.68,353 6.158,354 2.037,355 3.355,356 2.463,357 4.969,358 2.972,359 2.061,360 2.604,362 5.818,363 1.867,364 3.26,365 2.131,366 4.863,367 2.866,368 1.916,369 2.512,371 5.467,372 1.81,373 2.815,374 1.549,375 4.12,376 2.338,377 1.404,378 1.943,380 3.63,381 1.308,382 1.618,383 1.105,384 3.055,385 1.352,386 0.494,387 0.534,389 0.893,390 0.418,391 1.589,392 0.916,393 2.842,394 1.284,395 0.396,396 0.452,398 0.668,399 0.342,400 1.576,401 0.602,402 2.771,403 1.27,404 0.347,405 0.421,407 0.602,408 0.325,409 0.947,410 -0.159,411 2.359,412 0.588,413 -0.382,414 -0.483,415 -1.04,416 -0.37,417 0.795,418 -0.314,419 2.316,420 0.392,421 -0.515,422 -0.621,423 -1.243,424 -0.466,425 0.65,426 -0.339,427 1.848,428 0.24,429 -0.694,430 -0.878,431 -1.599,432 -0.637,433 0.392,434 -0.498,435 1.742,436 0.038,437 -0.913,438 -1.127,439 -2.306,440 -0.849,441 0.038,442 -0.894,443 1.376,444 -0.305,445 -1.233,446 -1.482,448 -3.22,449 -1.119,450 -0.23,451 -1.246,452 1.188,453 -0.572,454 -1.477,455 -1.848,457 -4.037,458 -1.344,459 8.767,460 0.461,461 0.468,462 0.025,463 26.5,464 1.395,465 14,466 0.737,467 12.5,468 0.658,469 11.831,470 0.623,471 21.233,472 0.607,473 17.966,474 0.946,475 5.554,476 0.292,477 3.564,478 0.188,479 0.205,481 0.342,485 1.046,486 1.353,487 0.836,488 1.147,489 1.241,490 0.963,491 1.194,492 0.741,493 0.798,494 0.772,495 0.715,496 0.739,497 1.18,498 1.328,499 1.12,500 1.238,501 1.047,502 1.179,503 0.65,504 1.096,505 1.05,506 1.256,507 0.854,508 1.229,509 1.086,510 0.978,511 0.971,512 0.97,513 0.935,514 0.959,515 1.363,516 1.176,517 1.228,518 1.169,519 1.267,520 1.176,521 0.457,522 0.848,523 0.654,524 0.858,525 0.372,526 0.823,527 1.222,528 1.318,529 1.148,530 1.167,531 1.254,532 1.148,533 5,535 1.556,536 1.5,537 1.147,538 0.472,539 0.427,540 0.233,541 0.152,542 0.087,543 2944,544 9082,545 1.965,546 45.7,547 2,548 9,550 1,551 4,555 1.605,556 1.81,557 3.012,558 2.038,560 1,562 1,564 57.419,565 1.641,566 3.508,567 4.036,568 4.229,569 4.229,570 4.229,571 2.439,572 3.827,573 4.221,574 3.116,575 532.761,576 7.198,577 5268.97,578 1,579 1,581 1,582 179.525,583 1.509,584 4.159,585 0.25,587 0.058,588 0.056,589 0.05,590 0.022,591 0.024,592 0.014,593 0.014,594 0.017,595 0.504,596 0.33,597 1,598 1.039,599 82.192,600 -0.143,601 -0.095,602 0.019,603 -0.047,604 -0.262,605 0.021,606 -0.023,607 0.338,608 0.151,609 0.271,610 0.182,611 0.234,612 -0.231,613 -0.165,614 -0.239,615 -0.163,616 -0.23,617 -0.197,618 0.127,619 -0.048,620 -0.138,621 -0.231,622 0.023,623 -0.231,624 -0.121,625 -0.067,626 0.009,627 0.021,628 -0.044,629 0.037,630 -0.255,631 -0.193,632 -0.258,633 -0.197,634 -0.28,635 -0.224,636 0.522,637 -0.018,638 0.371,639 0.088,640 0.536,641 0.17,642 -0.183,643 -0.396,644 -0.149,645 -0.253,646 -0.172,647 -0.207,648 1.496,649 1.817,650 0.632,651 12.576,652 1.01,653 1.14,654 1.757,655 3.086,656 0.643,657 3.045,658 3.332,659 3.526,660 3.738,661 3.932,662 3.871,663 3.871,664 3.807,665 3.85,666 3.714,667 4.869,668 0.619,669 260.33,670 3.045,671 4.554,672 5.371,673 6.229,674 7.064,675 7.925,676 8.766,677 9.628,678 10.472,679 11.333,680 11.4,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 2,718 35,719 12,720 1,721 20,723 36,724 13,725 10,726 3,727 3,729 2,730 2,739 1,741 10,742 3,753 1,754 1,757 16,758 6,759 4,760 6,764 4,769 1,770 2,776 1,781 2,802 2,806 2,810 19,811 2,816 1,818 2,829 5.7,834 2,836 10.5,837 6.733,838 4.361,839 1.696,840 2.267,841 1.368,842 0.953,843 4.193,844 8.435,845 3.296,846 3.892,847 4.407,848 4.94,849 5.445,850 5.511,851 5.677,852 5.953,853 6.333,854 6.529,855 1,856 27,857 6.919,859 2.765,860 7.842,861 12.93,863 9.807,865 2.342,866 44.5,867 0.001,870 141.253,871 82.862,872 99.365,874 22,877 82.862,878 163.253,879 99.365,880 21.766,881 2.535,882 94.223,883 45.342,884 47.905,885 4.227,886 129.482,888 141.253,889 182.227,890 22,893 141.253,894 22,897 13.481,898 135.175,899 33.571,901 141.253,902 121.365,903 82.862,906 141.253,907 23.62,908 59.242,910 121.365,911 141.253,912 121.365,913 82.862,915 0.57,916 0.332,917 0.174,918 0.1,919 12,920 6,921 0.111,922 4,924 1,925 3.074,926 131.908,928 12,929 72.711,933 13.584,934 5.864,935 3.335,937 121.365,938 7.27,939 7.882,943 3.813,945 65.794,946 345.48,947 26,956 35.363,957 39.903,958 0.32,959 0.684,960 0.787,961 0.824,962 0.824,963 0.824,964 4.5,965 0.396,966 5.352,967 0.893,968 4.007,969 4.575,970 1.586,971 6.107,972 3.893,973 5.709,974 0.347,975 6.88,976 0.668,977 3.611,978 4.407,980 6.862,981 3.461,982 7.01,983 -0.382,984 8.497,985 0.602,986 5.557,987 6.758,988 1.285,989 9.884,990 5.361,991 8.342,992 -0.515,993 10.16,994 -1.04,995 5.889,996 7.296,998 11.358,999 5.653,1000 9.698,1001 -0.694,1002 11.851,1003 -1.243,1004 7.338,1005 9.172,1006 1.035,1007 13.906,1008 7.076,1009 11.069,1010 -0.913,1011 13.561,1012 -1.599,1013 8.024,1014 10.063,1016 15.723,1017 7.724,1018 12.453,1019 -1.233,1020 15.285,1021 -2.306,1022 9.258,1023 11.715,1024 0.828,1025 18.072,1026 8.936,1027 2.923,1028 -1.477,1029 17.019,1030 -3.22,1031 10.127,1032 12.802,1034 20.065,1035 9.769,1036 2.747,1037 8.948,1038 18.763,1039 -4.037,1040 11.262,1041 14.331,1042 0.656,1043 22.32,1044 10.882,1045 2.185,1046 8.153,1047 20.514,1048 3.931,1049 12.225,1050 15.53,1052 24.404,1053 11.81,1054 2.061,1055 6.158,1056 22.271,1057 3.789,1058 13.315,1059 16.989,1060 0.515,1061 26.616,1062 12.876,1063 1.916,1064 5.818,1065 24.035,1066 2.821,1067 14.325,1068 18.253,1070 28.745,1071 13.853,1072 1.404,1073 5.467,1074 25.803,1075 2.604,1076 15.396,1077 19.67,1078 0.401,1079 30.937,1080 14.899,1081 0.494,1082 3.63,1083 27.575,1084 2.512,1085 16.429,1086 20.972,1088 33.09,1089 15.901,1090 3051,1091 5441,1092 12.83,1093 22.5,1094 28.897,1095 29.889,1096 30.479,1097 28.844,1098 28.948,1099 38.016,1100 4.8,1101 80.675,1102 27.118,1103 5.055,1104 5.175,1105 5.656,1106 4.962,1107 4.923,1108 6.931,1109 1.72,1110 15.282,1111 4.838,1112 10.586,1113 1.445,1114 1.494,1115 1.524,1116 1.442,1117 1.447,1118 1.901,1119 0.24,1120 4.034,1121 1.356,1122 3.981,1123 4.011,1124 3.933,1125 3.891,1126 5.291,1127 3.896,1128 3.805,1129 3.847,1130 3.768,1131 3.645,1132 4.98,1133 3.67,1134 3.303,1135 3.355,1136 3.149,1137 3.054,1138 4.915,1139 3.069,1140 3.28,1141 3.35,1142 3.144,1143 3.006,1144 4.58,1145 3.026,1146 3.104,1147 3.211,1148 2.922,1149 2.834,1150 4.453,1151 2.833,1152 2.975,1153 3.095,1154 2.787,1155 2.666,1156 4.196,1157 2.684,1158 2.795,1159 2.899,1160 2.617,1161 2.562,1162 3.747,1163 2.568,1164 2.704,1165 2.776,1166 2.498,1167 2.554,1168 3.653,1169 2.537,1170 0.214,1171 0.159,1172 0.305,1173 0.195,1174 0.146,1175 4.284,1176 0.197,1177 3.175,1178 0.043,1179 6.103,1180 0.447,1181 3.893,1182 0.142,1183 2.923,1184 3.931,1185 0.86,1186 8.948,1187 2.838,1188 1.931,1189 1.91,1190 2.027,1191 2.047,1192 1.206,1193 2.039,1194 1.728,1195 1.688,1196 1.816,1197 1.918,1198 0.869,1199 1.891,1200 1.227,1201 1.163,1202 1.59,1203 1.558,1204 0.584,1205 1.565,1206 1.221,1207 1.153,1208 1.552,1209 1.507,1210 0.561,1211 1.522,1212 1.069,1213 0.973,1214 1.367,1215 1.382,1216 0.383,1217 1.385,1218 0.896,1219 0.78,1220 1.229,1221 1.266,1222 0.09,1223 1.277,1224 0.757,1225 0.661,1226 1.082,1227 1.062,1229 1.081,1230 0.727,1231 0.659,1232 1.004,1233 0.918,1235 0.951,1236 3.714,1238 5.004,1240 6.491,1242 8.067,1244 9.689,1246 3.221,1250 11.287,1252 0.583,1254 10.444,1262 21.676,1263 57.419,1264 122.77,1265 141.26,1266 148.015,1267 148.015,1268 148.015,1269 25.588,1270 6.168,1271 96.28,1272 96.28,1273 12,1274 11.886,1275 3.7,1276 2.807,1277 33.575,1278 55,1279 52,1280 0.307,1281 138.289,1282 232.68,1283 329.186,1284 3088,1286 13.828,1287 0.728,1288 0.573,1289 13.828,1290 10.882,1291 9.118,1292 0.456,1293 0.285,1294 5.575,1295 8.597,1296 5.371,1297 4.532,1298 9.118,1299 5.709,1300 8.013,1301 0.297,1302 0.149,1303 8.013,1304 4.036,1305 6.4,1306 0.194,1307 0.082,1308 6.4,1309 2.722,1310 5.068,1311 0.124,1312 0.043,1313 5.068,1314 1.759,1315 4.078,1316 0.082,1317 0.024,1318 4.078,1319 1.196,1320 0.469,1321 58.377,1322 0.279,1323 18.878,1324 0.873,1325 94,1326 311.386,1327 105.807,1328 297.202,1329 401.5,1330 278,1331 107,1332 291.063,1333 117.644,1334 298.405,1335 424.71,1336 275,1337 4.046}
{0 CHEMBL287481,1 1.477,2 12.16,3 4.257,4 18.125,5 102.722,6 6.5,7 0.462,8 4.03,9 4.171,10 3.458,11 3.486,12 5.086,13 3.451,14 4.562,15 4.767,16 3.731,17 3.833,18 5.544,19 3.758,20 4.775,21 5.014,22 3.777,23 3.953,24 5.664,25 3.855,26 4.832,27 5.081,28 3.696,29 3.963,30 5.736,31 3.838,32 4.841,33 5.106,34 3.664,35 3.95,36 5.686,37 3.809,38 4.8,39 5.07,40 3.698,41 3.871,42 5.699,43 3.752,44 4.719,45 4.964,46 3.617,47 3.783,48 5.677,49 3.677,50 4.646,51 4.908,52 3.389,53 3.715,54 5.536,55 3.576,56 0.058,57 0.746,58 12.717,59 4.716,60 12.009,61 6.883,62 0.274,63 1.096,64 22.276,65 8.042,66 30.198,67 11.41,68 0.249,69 1.266,70 27.57,71 9.086,72 29.313,73 13.73,74 0.359,75 1.294,76 29.394,77 9.652,78 42.831,79 14.42,80 0.363,81 1.274,82 29.462,83 9.835,84 37.483,85 14.942,86 0.4,87 1.194,88 28.564,89 8.992,90 41.476,91 13.841,92 0.467,93 1.095,94 26.737,95 7.977,96 45.045,97 12.155,98 0.371,99 1.038,100 24.624,101 7.22,102 38.865,103 11.359,104 27,105 33,106 0.25,107 0.558,108 0.758,109 0.845,110 0.882,111 0.882,112 3.266,113 1.016,114 -4.47,115 -4.4,116 -4.14,119 35.8,120 1,121 6,124 1,125 1,139 3,140 2,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 9,169 1,170 7,172 3,173 3,175 1,178 8,180 1,182 8,187 1,189 7,191 1,193 5,195 1,196 1,197 1,198 2,200 2,201 6,204 2,205 1,206 1,207 4,212 2,215 6,218 2,220 2,221 3,223 1,224 1,226 2,229 5,231 2,233 2,234 4,236 1,237 1,239 2,241 6,243 2,246 1,248 1,249 1,251 1,254 6,256 1,260 3,262 1,263 1,265 2,268 6,270 2,273 1090,274 16.999,275 16.999,276 16.999,277 16.999,278 16.999,279 15.446,280 19.989,281 10.576,282 17.489,283 12.758,284 12.758,285 12.758,286 12.758,287 12.758,288 10.405,289 26.407,290 4.96,291 13.452,292 4.251,293 2.43,294 1.25,295 0.736,296 0.519,297 0.519,298 3.933,301 1,302 1,303 618,304 3.464,307 179.746,314 1.926,315 20.083,317 1,318 1,319 0.83,320 0.83,321 1,322 1,323 1,324 1,325 0.95,326 54,327 304,328 4.331,329 3.264,330 6.251,331 3.951,332 2.98,333 3.975,334 0.86,335 9.444,336 2.894,337 4.161,338 2.951,339 5.984,340 3.715,341 2.765,342 3.813,343 0.86,344 8.479,345 2.627,346 3.571,347 2.732,348 5.253,349 3.202,350 2.283,351 2.883,352 0.68,353 6.647,354 2.091,355 3.44,356 2.324,357 4.963,358 3.023,359 2.101,360 2.746,362 5.821,363 1.93,364 2.928,365 1.961,366 4.42,367 2.829,368 1.835,369 2.074,371 4.275,372 1.823,373 2.85,374 1.866,375 4.075,376 2.544,377 1.596,378 1.889,380 3.653,381 1.509,382 2.773,383 1.593,384 3.841,385 2.396,386 1.421,387 1.852,389 3.493,390 1.382,391 2.451,392 1.474,393 3.44,394 2.293,395 1.343,396 1.45,398 2.74,399 1.271,400 1.97,401 1.136,402 3.126,403 1.819,404 0.879,405 0.932,407 1.634,408 0.817,409 1.779,410 0.959,411 2.96,412 1.556,413 0.637,414 0.712,415 1.202,416 0.579,417 1.545,418 0.615,419 2.713,420 1.26,421 0.329,422 0.386,423 0.693,424 0.305,425 1.206,426 0.344,427 2.39,428 1.081,429 0.145,430 0.152,431 0.24,432 0.135,433 0.957,434 0.072,435 2.359,436 0.648,437 -0.287,438 -0.331,439 -0.526,440 -0.265,441 0.797,442 -0.236,443 2.231,444 0.509,445 -0.458,446 -0.514,448 -0.987,449 -0.44,450 0.743,451 -0.314,452 2.111,453 0.392,454 -0.515,455 -0.621,457 -1.242,458 -0.467,459 11.767,460 0.471,461 0.451,462 0.018,463 29.5,464 1.18,465 14,466 0.56,467 15.5,468 0.62,469 21.884,470 0.875,471 29.033,472 0.548,473 20.296,474 0.812,475 5.49,476 0.22,477 6.645,478 0.266,479 0.153,481 0.255,485 1.004,486 1.398,487 0.967,488 1.256,489 1.155,490 1.118,491 1.04,492 1.014,493 0.942,494 1.09,495 0.646,496 1.03,497 1.108,498 1.118,499 0.945,500 1.055,501 0.84,502 0.992,503 1.16,504 0.99,505 1.08,506 1.067,507 1.018,508 1.069,509 0.827,510 1.046,511 0.936,512 1.056,513 0.829,514 1.021,515 0.851,516 0.995,517 0.826,518 0.975,519 0.735,520 0.913,521 1.377,522 1.063,523 1.041,524 1.011,525 0.977,526 1.003,527 1.335,528 0.979,529 1.197,530 1.003,531 1.313,532 1.069,533 4.5,534 0.091,535 2.222,536 1.125,537 1.227,538 0.611,539 0.467,540 0.335,541 0.222,542 0.127,543 7034,544 15980,545 1.973,546 52.8,547 13,548 8,550 1,551 4,553 2,555 1.679,556 1.852,557 3.529,558 1.736,560 1,564 78.263,565 1.477,566 3.298,567 4.478,568 4.992,569 5.209,570 5.209,571 3.083,572 4.484,573 4.604,574 3.696,575 1108.87,576 7.963,577 14095.2,579 1,581 1,582 303.58,583 1.359,584 4.575,585 0.173,586 0.006,587 0.067,588 0.033,589 0.041,590 0.021,591 0.016,592 0.012,593 0.011,594 0.007,595 0.388,597 1,598 2.015,599 123.155,600 -0.065,601 -0.067,602 0.028,603 -0.041,604 -0.11,605 0.007,606 0.079,607 0.105,608 0.058,609 0.011,610 0.235,611 0.02,612 -0.063,613 -0.078,614 0.044,615 -0.01,616 0.028,617 0.027,618 -0.075,619 0.028,620 -0.088,621 -0.048,622 -0.023,623 -0.069,624 0.087,625 -0.073,626 0.03,627 -0.035,628 0.025,629 -0.012,630 0.191,631 -0.039,632 0.16,633 0.012,634 0.197,635 0.072,636 0.049,637 -0.095,638 -0.009,639 -0.03,640 0.107,641 -0.037,642 -0.153,643 0.024,644 -0.189,645 -0.042,646 -0.188,647 -0.109,648 1.492,649 2.375,650 0.48,651 27.552,652 0.994,653 1.14,654 3.239,655 10.491,656 0.624,657 3.296,658 3.526,659 3.714,660 3.892,661 4.094,662 4.111,663 4.111,664 4.159,665 4.22,666 4.143,667 6.881,668 0.582,669 344.51,670 3.296,671 4.779,672 5.58,673 6.412,674 7.238,675 8.082,676 8.92,677 9.771,678 10.617,679 11.473,680 7.5,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 2,718 53,719 12,720 1,721 26,723 54,724 19,725 10,726 3,727 3,729 2,730 2,734 1,739 6,741 10,742 9,754 1,757 28,758 6,759 4,760 6,764 4,769 1,770 2,776 1,781 2,802 2,806 2,810 25,811 2,816 7,818 2,829 3.8,834 2,836 13.5,837 9.733,838 5.889,839 3.369,840 2.272,841 1.34,842 0.936,843 7.96,844 8.947,845 3.497,846 4.007,847 4.494,848 4.985,849 5.509,850 5.608,851 5.777,852 6.113,853 6.447,854 6.641,855 1,856 34,857 9.207,859 3.642,860 7.64,861 17.829,863 13.781,865 2.14,866 53.5,868 1,869 1,870 282.506,871 98.069,872 99.365,874 22,877 98.069,878 304.506,879 99.365,880 19.708,881 19.8,882 94.223,883 45.342,884 47.905,885 4.227,886 270.735,888 282.506,889 197.434,890 22,893 258.964,894 45.542,897 39.571,898 124.292,899 33.571,901 282.506,902 121.365,903 98.069,906 282.506,907 40.885,908 57.184,910 121.365,911 282.506,912 121.365,913 98.069,915 0.551,916 0.312,917 0.161,918 0.088,919 12,920 6,921 0.185,922 10,924 1,925 3.764,926 184.014,928 12,929 116.096,933 19.48,934 10.216,935 6.183,937 121.365,938 7.479,939 8.019,943 3.966,945 65.794,946 501.941,947 32,956 52.665,957 60.394,958 0.258,959 0.576,960 0.782,961 0.871,962 0.909,963 0.909,964 4.682,965 1.343,966 5.517,967 3.493,968 4.205,969 4.691,970 1.586,971 6.236,972 4.106,973 5.839,974 0.879,975 7.018,976 2.74,977 3.611,978 4.407,980 6.969,981 3.461,982 7.111,983 0.637,984 8.621,985 1.634,986 5.7,987 6.808,988 1.285,989 10.032,990 5.516,991 8.423,992 0.329,993 10.286,994 1.202,995 5.943,996 7.341,998 11.598,999 5.708,1000 9.768,1001 0.145,1002 11.989,1003 0.693,1004 7.466,1005 9.221,1006 1.035,1007 14.156,1008 7.208,1009 11.136,1010 -0.287,1011 13.72,1012 0.24,1013 8.124,1014 10.136,1016 16.075,1017 7.824,1018 12.523,1019 -0.458,1020 15.47,1021 -0.526,1022 9.396,1023 11.782,1024 0.828,1025 18.441,1026 9.074,1027 2.98,1028 -0.515,1029 17.235,1030 -0.987,1031 10.266,1032 12.895,1034 20.521,1035 9.907,1036 2.765,1037 9.444,1038 19.01,1039 -1.242,1040 11.424,1041 14.419,1042 0.656,1043 22.807,1044 11.043,1045 2.283,1046 8.479,1047 20.793,1048 3.975,1049 12.399,1050 15.64,1052 24.964,1053 11.985,1054 2.101,1055 6.647,1056 22.583,1057 3.813,1058 13.508,1059 17.098,1060 0.515,1061 27.216,1062 13.07,1063 1.835,1064 5.821,1065 24.378,1066 2.883,1067 14.533,1068 18.38,1070 29.41,1071 14.065,1072 1.596,1073 4.275,1074 26.178,1075 2.746,1076 15.622,1077 19.8,1078 0.401,1079 31.649,1080 15.128,1081 1.421,1082 3.653,1083 27.981,1084 2.074,1085 16.673,1086 21.118,1088 33.862,1089 16.15,1090 7206,1091 11112,1092 16.989,1093 33.069,1094 36.52,1095 37.27,1096 38.205,1097 36.631,1098 36.629,1099 45.729,1100 4.8,1101 96.646,1102 34.727,1103 5.249,1104 5.264,1105 6.215,1106 5.02,1107 4.98,1108 6.975,1109 1.72,1110 15.9,1111 4.894,1112 13.285,1113 1.405,1114 1.433,1115 1.469,1116 1.409,1117 1.409,1118 1.759,1119 0.185,1120 3.717,1121 1.336,1122 3.988,1123 4.018,1124 3.94,1125 3.895,1126 5.291,1127 3.901,1128 3.81,1129 3.858,1130 3.768,1131 3.65,1132 4.98,1133 3.671,1134 3.752,1135 3.813,1136 3.587,1137 3.629,1138 4.898,1139 3.612,1140 3.51,1141 3.581,1142 3.328,1143 3.345,1144 4.574,1145 3.327,1146 3.266,1147 3.325,1148 3.107,1149 3.031,1150 4.447,1151 3.042,1152 3.213,1153 3.3,1154 3.071,1155 2.972,1156 4.211,1157 2.983,1158 3.119,1159 3.215,1160 2.882,1161 2.902,1162 4.108,1163 2.882,1164 3,1165 3.123,1166 2.837,1167 2.695,1168 3.835,1169 2.714,1170 0.167,1171 0.126,1172 0.24,1173 0.152,1174 0.115,1175 4.331,1176 0.153,1177 3.264,1178 0.033,1179 6.251,1180 0.363,1181 3.951,1182 0.111,1183 2.98,1184 3.975,1185 0.86,1186 9.444,1187 2.894,1188 1.932,1189 1.912,1190 2.044,1191 2.05,1192 1.375,1193 2.043,1194 1.777,1195 1.717,1196 2.015,1197 1.949,1198 1.209,1199 1.974,1200 1.726,1201 1.681,1202 1.843,1203 1.904,1204 1.104,1205 1.889,1206 1.525,1207 1.454,1208 1.802,1209 1.728,1210 0.867,1211 1.763,1212 1.212,1213 1.147,1214 1.572,1215 1.518,1216 0.744,1217 1.535,1218 1.168,1219 1.089,1220 1.525,1221 1.444,1222 0.572,1223 1.464,1224 1.13,1225 1.041,1226 1.398,1227 1.39,1228 0.409,1229 1.412,1230 0.908,1231 0.798,1232 1.235,1233 1.291,1234 0.387,1235 1.294,1236 3.97,1238 5.22,1240 6.666,1242 8.211,1244 9.812,1246 3.865,1250 11.486,1252 7.366,1254 11.32,1262 30.837,1263 78.263,1264 174.777,1265 237.341,1266 264.56,1267 276.07,1268 276.07,1269 47.216,1270 6.675,1271 96.28,1272 96.28,1273 12,1274 12.029,1275 3.7,1276 2.807,1277 51.8,1278 98,1279 134,1280 0.249,1281 195.843,1282 336.48,1283 469.618,1284 6510,1286 18.071,1287 0.723,1288 0.605,1289 18.071,1290 15.125,1291 12.135,1292 0.467,1293 0.339,1294 8.677,1295 11.638,1296 8.424,1297 7.121,1298 12.135,1299 8.802,1300 10.055,1301 0.305,1302 0.183,1303 10.055,1304 6.052,1305 7.953,1306 0.199,1307 0.102,1308 7.953,1309 4.066,1310 6.193,1311 0.129,1312 0.055,1313 6.193,1314 2.654,1315 4.79,1316 0.081,1317 0.029,1318 4.79,1319 1.714,1320 0.398,1321 76.271,1322 0.243,1323 24.826,1324 0.663,1325 118,1326 335.386,1327 130.472,1328 321.48,1329 438.38,1330 302,1331 132,1332 320.972,1333 143.641,1334 325.632,1335 467.89,1336 304,1337 4.959}
{0 CHEMBL287511,1 1.664,2 10.208,3 1.683,4 2.833,5 89.126,6 7.771,7 0.654,8 3.86,9 3.987,10 3.452,11 3.309,12 5.07,13 3.33,14 4.342,15 4.518,16 3.786,17 3.647,18 5.519,19 3.653,20 4.468,21 4.646,22 3.86,23 3.77,24 5.632,25 3.762,26 4.554,27 4.749,28 3.74,29 3.793,30 5.677,31 3.733,32 4.626,33 4.866,34 3.571,35 3.761,36 5.614,37 3.655,38 4.546,39 4.81,40 3.452,41 3.616,42 5.483,43 3.512,44 4.416,45 4.673,46 3.416,47 3.471,48 5.404,49 3.404,50 4.21,51 4.437,52 3.371,53 3.383,54 5.281,55 3.33,56 0.094,57 0.659,58 8.246,59 3.166,60 12.18,61 4.227,62 0.361,63 0.959,64 15.759,65 5.405,66 31.158,67 7.158,68 0.346,69 1.108,70 17.285,71 5.776,72 29.852,73 7.926,74 0.393,75 1.127,76 19.497,77 6.942,78 39.242,79 9.473,80 0.488,81 1.101,82 22.96,83 7.318,84 43.818,85 10.78,86 0.402,87 0.96,88 22.162,89 6.619,90 40.371,91 10.078,92 0.496,93 0.822,94 20.136,95 5.522,96 40.488,97 8.228,98 0.256,99 0.759,100 14.598,101 4.481,102 24.582,103 6.728,104 21,105 36,106 0.291,107 0.644,108 0.768,109 0.829,110 0.846,111 0.871,112 3.228,113 0.849,114 -3.41,115 -3.39,116 -3.25,119 38.1,121 2,124 2,139 3,140 1,141 2,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 4,169 2,170 5,172 3,173 3,178 4,181 3,182 7,184 1,185 1,189 4,192 1,193 4,195 3,196 3,197 1,200 2,201 2,205 1,206 1,207 5,209 1,210 1,212 1,215 1,218 1,220 1,221 4,226 1,231 1,233 2,234 4,239 2,243 2,245 1,246 3,251 2,256 2,259 2,260 2,262 1,263 1,265 2,270 2,273 754,274 16.273,275 16.273,276 16.273,277 16.273,278 16.273,279 14.213,280 19.174,281 9.454,282 16.911,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.461,289 19.97,290 4.328,291 13.562,292 3.728,293 1.714,294 1.006,295 0.655,296 0.56,297 0.417,298 3.91,300 1,301 1,302 1,303 519,304 2.828,307 202.314,311 104.615,314 1.458,315 23.501,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 53,327 245,328 4.541,329 3.191,330 6.502,331 4.022,332 3.079,333 4.491,334 0.86,335 10.175,336 2.903,337 4.267,338 3.119,339 6.173,340 3.873,341 2.905,342 3.911,343 0.86,344 9.172,345 2.81,346 3.77,347 2.694,348 5.313,349 3.36,350 2.41,351 3.232,353 6.885,354 2.291,355 3.543,356 2.607,357 5.22,358 3.158,359 2.235,360 2.856,362 6.487,363 2.054,364 3.429,365 2.192,366 5.062,367 2.97,368 2.044,369 2.811,371 5.803,372 1.886,373 3.373,374 2.064,375 4.971,376 2.887,377 1.965,378 2.696,380 5.756,381 1.807,382 2.918,383 1.959,384 4.391,385 2.558,386 1.594,387 2.058,389 4.254,390 1.53,391 2.454,392 1.252,393 3.71,394 1.92,395 1.008,396 1.434,398 2.565,399 0.918,400 2.032,401 1.059,402 3.284,403 1.741,404 0.805,405 0.955,407 1.761,408 0.746,409 1.815,410 0.917,411 3.014,412 1.563,413 0.656,414 0.736,415 1.223,416 0.592,417 1.471,418 0.775,419 2.756,420 1.191,421 0.332,422 0.366,423 0.463,424 0.283,425 1.338,426 0.247,427 2.641,428 0.94,429 0.021,430 0.027,431 0.049,432 0.019,433 0.976,434 -0.06,435 2.529,436 0.52,437 -0.407,438 -0.499,439 -0.812,440 -0.373,441 0.818,442 -0.292,443 2.39,444 0.445,445 -0.471,446 -0.588,448 -1.154,449 -0.428,450 0.639,451 -0.373,452 2.206,453 0.235,454 -0.706,455 -0.867,457 -1.804,458 -0.658,459 11.067,460 0.461,461 0.571,462 0.024,463 34.5,464 1.438,465 18,466 0.75,467 16.5,468 0.688,469 16.343,470 0.681,471 26.133,472 0.622,473 24.405,474 1.017,475 6.939,476 0.289,477 4.662,478 0.194,479 0.163,481 0.361,485 1.02,486 1.42,487 0.779,488 1.143,489 1.168,490 0.936,491 1.124,492 0.926,493 0.754,494 0.837,495 0.722,496 0.762,497 1.058,498 1.096,499 0.944,500 1.042,501 0.907,502 0.98,503 0.977,504 1.092,505 1.139,506 1.261,507 0.868,508 1.253,509 0.853,510 1.037,511 1.119,512 1.147,513 0.955,514 1.182,515 0.859,516 0.962,517 0.979,518 1.037,519 0.883,520 1.029,521 1.193,522 0.781,523 0.917,524 0.734,525 0.943,526 0.778,527 0.875,528 1.203,529 0.939,530 1.127,531 0.915,532 1.054,533 5.5,534 0.136,535 2.667,536 1.5,537 1.711,538 0.646,539 0.345,540 0.295,541 0.242,542 0.217,543 6310,544 18920,545 2.04,546 42.9,547 2,548 9,550 1,551 4,552 2,555 1.667,556 1.895,557 3.315,558 1.86,559 1,560 1,562 1,564 69.909,565 1.664,566 3.679,567 4.386,568 4.737,569 4.833,570 4.975,571 2.709,572 3.835,573 4.56,574 3.46,575 954.832,576 7.859,577 11355.9,578 1,579 1,581 1,582 226.477,583 1.459,584 4.507,585 0.212,586 0.009,587 0.074,588 0.039,589 0.053,590 0.025,591 0.015,592 0.013,593 0.011,594 0.011,595 0.462,596 0.17,597 1,598 0.921,599 114.568,600 -0.143,601 -0.184,602 0.032,603 -0.07,604 -0.228,605 0.013,607 0.154,608 0.17,609 0.187,610 0.173,611 0.193,612 -0.078,613 0.035,614 -0.051,615 -0.039,616 -0.034,617 -0.042,618 -0.044,619 -0.032,620 -0.231,621 -0.235,622 0.007,623 -0.279,624 0.003,625 -0.085,626 -0.157,627 -0.138,628 -0.08,629 -0.172,630 -0.006,631 -0.064,632 0.021,633 -0.047,634 -0.02,635 -0.008,636 -0.044,637 0.084,638 0.128,639 0.233,640 0.003,641 0.215,642 -0.002,643 -0.207,644 0.012,645 -0.132,646 -0.03,647 -0.065,648 1.58,649 1.89,650 0.667,651 19.25,652 1.014,653 1.14,654 2.184,655 4.77,656 0.655,657 3.296,658 3.611,659 3.871,660 4.111,661 4.344,662 4.357,663 4.369,664 4.394,665 4.543,666 4.575,667 6.047,668 0.636,669 326.4,670 3.296,671 4.828,672 5.673,673 6.547,674 7.408,675 8.284,676 9.15,677 10.027,678 10.896,679 11.773,680 14.3,684 2,690 4,694 2,695 4,696 4,700 6,702 17,711 2,716 2,718 42,719 17,720 1,721 26,723 44,724 16,725 12,726 3,727 3,729 3,730 4,739 2,741 12,742 4,753 1,754 1,757 18,758 8,759 4,760 8,764 6,769 0.667,770 2,774 1,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 2,818 2,829 4.8,834 2,836 12.667,837 8.133,838 5.417,839 2.215,840 3.404,841 1.48,842 0.98,843 4.74,844 10.499,845 3.57,846 4.22,847 4.834,848 5.43,849 6.019,850 6.249,851 6.532,852 6.847,853 7.273,854 7.35,855 0.857,856 38,857 8.771,859 3.616,860 7.806,861 16.451,863 12.868,865 2.306,866 55.333,870 164.795,871 88.827,872 132.936,874 22,877 88.827,878 186.795,879 132.936,880 21.766,881 5.069,882 94.223,883 78.913,884 51.336,885 4.227,886 153.024,888 164.795,889 221.763,890 22,893 166.511,894 22,897 20.916,898 131.99,899 67.142,901 164.795,902 154.936,903 88.827,906 164.795,907 29.585,908 59.242,910 154.936,911 164.795,912 154.936,913 88.827,915 0.577,916 0.346,917 0.187,918 0.103,919 17,920 8,921 0.114,922 5,923 1,924 1.125,925 3.591,926 190.566,927 0.125,928 16,929 110.039,933 16.367,934 6.95,935 3.555,936 0.849,937 154.936,938 7.363,939 16.69,943 3.713,945 65.794,946 408.559,947 34.5,956 42.567,957 47.9,958 0.309,959 0.682,960 0.813,961 0.879,962 0.896,963 0.923,964 4.79,965 1.008,966 5.659,967 4.254,968 4.29,969 4.905,970 1.376,971 6.457,972 4.17,973 6.015,974 0.805,975 7.213,976 2.565,977 3.892,978 4.808,980 7.322,981 3.726,982 7.334,983 0.656,984 8.86,985 1.761,986 5.878,987 7.19,988 1.159,989 10.384,990 5.658,991 8.69,992 0.332,993 10.561,994 1.223,995 6.256,996 7.878,998 12.037,999 5.985,1000 10.074,1001 0.021,1002 12.296,1003 0.463,1004 7.722,1005 9.755,1006 0.963,1007 14.625,1008 7.411,1009 11.478,1010 -0.407,1011 14.054,1012 0.049,1013 8.471,1014 10.833,1016 16.631,1017 8.107,1018 12.897,1019 -0.471,1020 15.83,1021 -0.812,1022 9.723,1023 12.494,1024 0.787,1025 19.044,1026 9.321,1027 3.079,1028 -0.706,1029 17.62,1030 -1.154,1031 10.658,1032 13.775,1034 21.212,1035 10.201,1036 2.905,1037 10.175,1038 19.421,1039 -1.804,1040 11.82,1041 15.338,1042 0.634,1043 23.557,1044 11.322,1045 2.41,1046 9.172,1047 21.232,1048 4.491,1049 12.844,1050 16.724,1052 25.797,1053 12.291,1054 2.235,1055 6.885,1056 23.051,1057 3.911,1058 13.97,1059 18.244,1060 0.504,1061 28.116,1062 13.372,1063 2.044,1064 6.487,1065 24.877,1066 3.232,1067 15.038,1068 19.683,1070 30.39,1071 14.385,1072 1.965,1073 5.803,1074 26.708,1075 2.856,1076 16.151,1077 21.185,1078 0.395,1079 32.7,1080 15.449,1081 1.594,1082 5.756,1083 28.545,1084 2.811,1085 17.24,1086 22.651,1088 34.99,1089 16.483,1090 6195,1091 10862,1092 17.107,1093 27.512,1094 38.055,1095 38.981,1096 39.894,1097 38.028,1098 38.109,1099 51.144,1100 3.44,1101 109.191,1102 35.679,1103 5.378,1104 5.191,1105 6.071,1106 5.104,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.903,1112 12.642,1113 1.464,1114 1.499,1115 1.534,1116 1.463,1117 1.466,1118 1.967,1119 0.132,1120 4.2,1121 1.372,1122 4.042,1123 4.09,1124 4.02,1125 3.903,1126 5.342,1127 3.92,1128 3.923,1129 3.944,1130 3.877,1131 3.807,1132 4.989,1133 3.828,1134 3.543,1135 3.605,1136 3.462,1137 3.382,1138 4.916,1139 3.391,1140 3.326,1141 3.375,1142 3.192,1143 3.054,1144 4.857,1145 3.077,1146 3.222,1147 3.303,1148 3.071,1149 2.982,1150 4.602,1151 2.995,1152 3.128,1153 3.222,1154 2.992,1155 2.864,1156 4.239,1157 2.852,1158 3.1,1159 3.215,1160 2.885,1161 2.779,1162 4.143,1163 2.821,1164 2.812,1165 2.892,1166 2.685,1167 2.648,1168 4.047,1169 2.647,1170 0.175,1171 0.123,1172 0.25,1173 0.155,1174 0.118,1175 4.541,1176 0.173,1177 3.191,1178 0.033,1179 6.502,1180 0.391,1181 4.022,1182 0.112,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.903,1188 1.948,1189 1.917,1190 2.041,1191 2.116,1192 1.262,1193 2.084,1194 1.874,1195 1.843,1196 1.93,1197 2.003,1198 0.982,1199 1.994,1200 1.502,1201 1.447,1202 1.691,1203 1.703,1204 0.802,1205 1.702,1206 1.241,1207 1.183,1208 1.591,1209 1.567,1210 0.586,1211 1.57,1212 1.171,1213 1.093,1214 1.533,1215 1.465,1216 0.556,1217 1.484,1218 1.116,1219 1.024,1220 1.373,1221 1.391,1222 0.373,1223 1.406,1224 0.981,1225 0.874,1226 1.264,1227 1.37,1228 0.137,1229 1.353,1230 0.806,1231 0.733,1232 1.097,1233 1.026,1234 0.039,1235 1.052,1236 3.97,1238 5.283,1240 6.801,1242 8.416,1244 10.08,1246 3.276,1250 11.408,1252 1.382,1254 10.653,1262 26.719,1263 69.909,1264 154.503,1265 184.213,1266 198.968,1267 202.968,1268 208.968,1269 34.055,1270 7.095,1271 122.06,1272 122.06,1273 18,1274 12.312,1275 4.17,1276 3.248,1277 39.368,1278 89,1279 76,1280 0.221,1281 167.407,1282 278.04,1283 400.233,1284 11138,1286 17.104,1287 0.713,1288 0.562,1289 17.104,1290 13.484,1291 11.601,1292 0.446,1293 0.283,1294 7.196,1295 10.965,1296 6.989,1297 5.839,1298 11.601,1299 7.359,1300 10.25,1301 0.285,1302 0.144,1303 10.25,1304 5.178,1305 8.663,1306 0.184,1307 0.077,1308 8.663,1309 3.639,1310 7.169,1311 0.119,1312 0.041,1313 7.169,1314 2.443,1315 5.751,1316 0.076,1317 0.021,1318 5.751,1319 1.632,1320 0.347,1321 74.092,1322 0.242,1323 23.447,1324 0.602,1325 124,1326 404.676,1327 139.97,1328 387.637,1329 533.22,1330 364,1331 145,1332 397.697,1333 160.778,1334 403.718,1335 585.53,1336 376,1337 4.635}
{0 CHEMBL287579,1 1.793,2 10.042,3 3.333,4 11.11,5 97.128,6 9.34,7 0.593,8 3.815,9 3.929,10 3.566,11 3.372,12 4.968,13 3.372,14 4.339,15 4.494,16 4.009,17 3.803,18 5.499,19 3.779,20 4.567,21 4.731,22 4.078,23 3.95,24 5.633,25 3.889,26 4.667,27 4.868,28 4.097,29 3.912,30 5.771,31 3.815,32 4.58,33 4.81,34 3.719,35 3.747,36 5.552,37 3.655,38 4.474,39 4.702,40 3.633,41 3.697,42 5.448,43 3.559,44 4.294,45 4.537,46 3.577,47 3.487,48 5.291,49 3.375,50 4.08,51 4.307,52 3.436,53 3.331,54 5.124,55 3.218,56 0.114,57 0.612,58 5.458,59 3.003,60 11.977,61 3.488,62 0.319,63 0.968,64 12.318,65 5.597,66 22.984,67 6.831,68 0.406,69 1.113,70 19.959,71 7.444,72 28.87,73 8.858,74 0.62,75 1.144,76 30.552,77 9.048,78 53.359,79 11.431,80 0.582,81 1.062,82 22.616,83 7.257,84 48.513,85 8.718,86 0.464,87 0.917,88 26.059,89 7.504,90 41.042,91 9.598,92 0.431,93 0.738,94 21.348,95 6.32,96 37.265,97 8.096,98 0.348,99 0.572,100 19.465,101 5.031,102 31.697,103 6.122,104 17,105 40,106 0.318,107 0.693,108 0.815,109 0.882,110 0.882,111 0.882,112 3.229,113 0.918,114 -4.97,115 -4.87,116 -4.57,119 41,121 1,125 3,139 3,140 3,141 2,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 4,169 2,170 6,172 3,173 3,175 1,178 8,180 1,181 1,182 5,187 1,189 3,191 1,192 1,193 6,195 3,196 3,197 1,198 2,200 2,201 4,204 2,205 1,206 1,207 1,212 1,215 2,218 1,220 1,221 2,223 1,224 1,226 1,229 5,231 1,234 4,236 1,237 1,241 4,246 2,251 1,254 4,256 1,260 5,265 2,268 1,270 2,273 678,274 15.98,275 15.98,276 15.98,277 15.98,278 15.98,279 13.924,280 20.777,281 9.127,282 16.504,283 13.343,284 13.343,285 13.343,286 13.343,287 13.343,288 10.22,289 26.56,290 4.38,291 14.305,292 3.493,293 1.372,294 0.686,295 0.308,296 0.308,297 0.308,298 3.925,299 2,300 1,301 1,302 1,303 531,304 2.449,306 36.925,307 171.577,310 146.287,314 1.545,315 24.824,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52.167,327 241,328 4.714,329 3.433,330 6.926,331 4.271,332 3.289,333 4.684,334 0.995,335 11.679,336 3.234,337 4.24,338 3.279,339 6.098,340 3.823,341 2.888,342 3.883,343 0.359,344 8.897,345 2.676,346 3.902,347 2.905,348 5.83,349 3.539,350 2.602,351 3.358,353 8.023,354 2.436,355 3.533,356 2.722,357 5.259,358 3.181,359 2.273,360 2.828,362 6.618,363 2.043,364 3.444,365 2.474,366 5.145,367 2.991,368 2.065,369 2.803,371 6.086,372 1.926,373 3.342,374 2.175,375 4.962,376 2.912,377 2.007,378 2.593,380 5.711,381 1.759,382 3.065,383 1.969,384 4.89,385 2.695,386 1.758,387 2.175,389 5.371,390 1.607,391 2.798,392 1.819,393 4.405,394 2.425,395 1.452,396 1.906,398 4.037,399 1.409,400 2.666,401 1.75,402 4.125,403 2.33,404 1.408,405 1.702,407 3.643,408 1.227,409 1.802,410 0.837,411 3.387,412 1.565,413 0.601,414 0.7,415 1.551,416 0.573,417 1.542,418 0.632,419 3.065,420 1.224,421 0.32,422 0.376,423 0.806,424 0.262,425 1.158,426 0.256,427 2.74,428 0.728,429 -0.197,430 -0.253,431 -0.544,432 -0.18,433 0.852,434 0.048,435 2.515,436 0.536,437 -0.378,438 -0.437,439 -1.021,440 -0.293,441 0.799,442 -0.067,443 2.395,444 0.406,445 -0.507,446 -0.611,448 -1.242,449 -0.318,450 0.754,451 -0.302,452 2.358,453 0.27,454 -0.516,455 -0.621,457 -1.265,458 -0.46,459 11.762,460 0.49,461 0.75,462 0.031,463 31.75,464 1.323,465 15,466 0.625,467 16.75,468 0.698,469 19.811,470 0.825,471 25.438,472 0.652,473 21.221,474 0.884,475 6.153,476 0.256,477 5.355,478 0.223,479 0.189,481 0.417,485 0.895,486 1.27,487 0.537,488 0.801,489 0.981,490 0.751,491 0.731,492 0.871,493 0.564,494 0.728,495 0.427,496 0.741,497 1.086,498 1.192,499 0.954,500 1.057,501 0.916,502 1.058,503 0.747,504 1.147,505 0.868,506 1.179,507 0.639,508 1.161,509 1.341,510 0.902,511 0.824,512 0.799,513 1.225,514 0.977,515 0.918,516 0.919,517 1.215,518 1.212,519 1.109,520 1.238,521 0.874,522 0.788,523 0.858,524 0.881,525 0.937,526 0.899,527 1.366,528 0.78,529 1.299,530 0.865,531 1.367,532 0.885,533 6,534 0.146,535 2.667,536 2.542,537 1.626,538 0.709,539 0.504,540 0.349,541 0.25,542 0.167,543 6513,544 22199,545 2.11,546 38.5,548 9,551 4,553 2,555 1.666,556 1.946,557 3.278,558 1.86,559 1,560 1,564 69.918,565 1.793,566 3.913,567 4.599,568 4.978,569 4.978,570 4.978,571 2.757,572 4.054,573 4.557,574 3.422,575 944.48,576 7.85,577 10856.7,578 1,579 1,581 1,582 206.131,583 1.483,584 4.504,585 0.222,586 0.01,587 0.067,588 0.064,589 0.046,590 0.026,591 0.022,592 0.017,593 0.014,594 0.01,595 0.497,596 0.17,597 1,598 0.622,599 113.468,600 -0.154,601 -0.071,602 -0.005,603 0.04,604 -0.197,605 0.063,606 0.102,607 0.251,608 0.085,609 0.154,610 0.242,611 0.133,612 -0.146,613 -0.159,614 -0.118,615 -0.118,616 -0.115,617 -0.14,618 0.225,619 -0.211,620 0.052,621 -0.197,622 0.245,623 -0.168,624 -0.29,625 0.071,626 -0.086,627 0.111,628 -0.298,629 -0.027,630 -0.059,631 0.011,632 -0.196,633 -0.21,634 -0.198,635 -0.212,636 0.072,637 0.099,638 0.111,639 0.128,640 0.008,641 0.154,642 -0.266,643 0.11,644 -0.081,645 0.181,646 -0.246,647 0.152,648 1.545,649 2.363,650 0.792,651 19.688,652 1.02,653 1.13,654 3.739,655 13.979,656 0.712,657 3.332,658 3.714,659 4.007,660 4.344,661 4.585,662 4.7,663 4.844,664 5.024,665 5.094,666 5.182,667 5.83,668 0.683,669 364.26,670 3.332,671 4.905,672 5.778,673 6.688,674 7.578,675 8.493,676 9.391,677 10.308,678 11.212,679 12.13,680 12.8,683 1,684 2,690 2,694 2,695 3,696 2,698 1,700 7,702 16,711 2,717 2,718 39,719 16,720 1,721 27,723 42,724 16,725 12,726 3,727 3,729 4,730 7,731 2,736 1,739 1,741 12,742 4,753 1,754 1,756 1,757 15,758 6,759 4,760 8,761 2,764 5,769 0.5,770 1,776 1,780 1,781 3,784 2,799 1,802 2,807 2,810 24,811 2,816 4,821 1,828 2,829 2.6,834 1,836 12.333,837 6.969,838 5.056,839 2.203,840 3.148,841 1.413,842 1.043,843 4.043,844 10.778,845 3.584,846 4.273,847 4.895,848 5.543,849 6.064,850 6.374,851 6.693,852 7.08,853 7.222,854 7.457,855 0.857,856 40,857 8.816,859 3.846,860 7.78,861 16.741,863 14.143,865 2.28,866 54.722,870 129.482,871 67.309,872 102.49,873 78.297,874 9.507,877 67.309,878 217.287,879 102.49,881 8.852,882 94.223,883 37.978,884 28.577,885 9.676,886 129.482,887 78.297,888 129.482,889 169.799,890 9.507,891 78.297,893 105.94,894 33.05,897 18.282,898 117.945,899 111.868,901 129.482,902 111.997,903 145.606,906 129.482,907 38.88,908 31.553,910 187.17,911 129.482,912 111.997,913 145.606,915 0.599,916 0.348,917 0.197,918 0.108,919 22,920 10,921 0.048,922 2,923 2,924 1.211,925 3.591,926 205.325,927 0.211,928 19,929 110.039,933 15.964,934 6.077,935 2.963,936 1.236,937 111.997,938 5.551,939 8.17,941 5.863,943 4.75,945 65.794,946 387.085,947 35,956 39.785,957 44.08,958 0.339,959 0.74,960 0.87,961 0.942,962 0.942,963 0.942,964 4.852,965 1.452,966 5.796,967 5.371,968 4.394,969 4.959,970 1.114,971 6.65,972 4.268,973 6.096,974 1.408,975 7.381,976 4.037,977 4.111,978 4.956,979 0.325,980 7.594,981 3.888,982 7.434,983 0.601,984 9.06,985 3.643,986 6.033,987 7.258,988 0.897,989 10.726,990 5.826,991 8.804,992 0.32,993 10.792,994 1.551,995 6.509,996 8.052,997 0.504,998 12.513,999 6.244,1000 10.205,1001 -0.197,1002 12.561,1003 0.806,1004 7.956,1005 9.883,1006 0.792,1007 15.185,1008 7.697,1009 11.629,1010 -0.378,1011 14.357,1012 -0.544,1013 8.798,1014 11.066,1015 0.585,1016 17.359,1017 8.512,1018 13.073,1019 -0.507,1020 16.174,1021 -1.021,1022 10.062,1023 12.711,1024 0.735,1025 19.876,1026 9.773,1027 3.289,1028 -0.516,1029 18.009,1030 -1.242,1031 11.08,1032 14.084,1033 0.622,1034 22.217,1035 10.779,1036 2.888,1037 11.679,1038 19.858,1039 -1.265,1040 12.275,1041 15.656,1042 0.703,1043 24.685,1044 11.968,1045 2.602,1046 8.897,1047 21.721,1048 4.684,1049 13.377,1050 17.116,1051 0.639,1052 27.093,1053 13.062,1054 2.273,1055 8.023,1056 23.595,1057 3.883,1058 14.55,1059 18.662,1060 0.683,1061 29.549,1062 14.228,1063 2.065,1064 6.618,1065 25.477,1066 3.358,1067 15.69,1068 20.164,1069 0.646,1070 31.985,1071 15.362,1072 2.007,1073 6.086,1074 27.368,1075 2.828,1076 16.861,1077 21.702,1078 0.67,1079 34.439,1080 16.524,1081 1.758,1082 5.711,1083 29.265,1084 2.803,1085 18.02,1086 23.224,1087 0.648,1088 36.886,1089 17.676,1090 6175,1091 11511,1092 17.918,1093 27.767,1094 41.575,1095 42.157,1096 42.999,1097 41.626,1098 41.325,1099 54.015,1100 2.707,1101 124.844,1102 38.302,1103 5.659,1104 5.433,1105 6.237,1106 5.343,1107 5.289,1108 7.684,1109 1.754,1110 18.832,1111 5.234,1112 12.467,1113 1.54,1114 1.561,1115 1.593,1116 1.542,1117 1.531,1118 2.001,1119 0.1,1120 4.624,1121 1.419,1122 4.125,1123 4.147,1124 4.124,1125 3.986,1126 5.355,1127 4.009,1128 3.919,1129 3.939,1130 4.066,1131 3.87,1132 5.015,1133 3.862,1134 3.634,1135 3.704,1136 3.62,1137 3.434,1138 4.982,1139 3.454,1140 3.268,1141 3.332,1142 3.541,1143 3.07,1144 4.925,1145 3.079,1146 3.149,1147 3.224,1148 3.226,1149 2.938,1150 4.629,1151 2.942,1152 3.062,1153 3.172,1154 3.054,1155 2.814,1156 4.251,1157 2.82,1158 2.888,1159 2.96,1160 2.986,1161 2.782,1162 4.111,1163 2.766,1164 2.872,1165 2.921,1166 2.801,1167 2.64,1168 4,1169 2.661,1170 0.175,1171 0.127,1172 0.257,1173 0.158,1174 0.122,1175 4.714,1176 0.173,1177 3.433,1178 0.037,1179 6.926,1180 0.433,1181 4.271,1182 0.12,1183 3.289,1184 4.684,1185 0.995,1186 11.679,1187 3.234,1188 1.921,1189 1.897,1190 2.021,1191 2.036,1192 1.321,1193 2.037,1194 1.844,1195 1.816,1196 1.918,1197 1.981,1198 1.121,1199 1.955,1200 1.671,1201 1.63,1202 1.765,1203 1.872,1204 0.834,1205 1.864,1206 1.191,1207 1.141,1208 1.44,1209 1.424,1210 0.689,1211 1.42,1212 1.115,1213 1.051,1214 1.371,1215 1.394,1216 0.575,1217 1.389,1218 0.979,1219 0.888,1220 1.265,1221 1.321,1222 0.21,1223 1.322,1224 0.868,1225 0.824,1226 1.099,1227 1.142,1228 0.167,1229 1.146,1230 0.799,1231 0.706,1232 1.089,1233 1.018,1235 1.061,1236 4.007,1238 5.371,1239 2.398,1240 6.923,1241 4.844,1242 8.567,1243 7.066,1244 10.259,1247 12.22,1250 11.626,1252 3.051,1257 2.257,1262 26.638,1263 69.918,1264 152.621,1265 179.376,1266 194.131,1267 194.131,1268 194.131,1269 33.603,1270 7.63,1271 94.2,1272 94.2,1273 23,1274 12.642,1275 4.087,1276 3.17,1277 33.994,1278 87,1279 82,1280 0.202,1281 168.816,1282 278.95,1283 403.671,1284 20733,1285 5.1,1286 16.845,1287 0.702,1288 0.593,1289 17.845,1290 14.233,1291 11.508,1292 0.426,1293 0.306,1294 7.456,1295 10.493,1296 7.251,1297 5.914,1298 12.085,1299 8.261,1300 11.121,1301 0.278,1302 0.167,1303 11.9,1304 6.691,1305 9.176,1306 0.17,1307 0.089,1308 9.791,1309 4.821,1310 8.323,1311 0.11,1312 0.047,1313 9.004,1314 3.587,1315 6.591,1316 0.068,1317 0.026,1318 6.997,1319 2.508,1320 0.315,1321 78.222,1322 0.236,1323 23.256,1324 0.56,1325 134,1326 395.702,1327 177.822,1328 445.39,1329 595.93,1330 414,1331 161,1332 405.435,1333 195.668,1334 428.685,1335 634.28,1336 403,1337 4.293}
{0 CHEMBL288350,1 1.553,2 12.308,3 3.497,4 12.226,5 102.896,6 6.894,7 0.444,8 4.019,9 4.153,10 3.484,11 3.487,12 5.161,13 3.463,14 4.534,15 4.724,16 3.783,17 3.854,18 5.681,19 3.786,20 4.778,21 5.002,22 3.802,23 3.997,24 5.752,25 3.899,26 4.869,27 5.117,28 3.721,29 4.016,30 5.822,31 3.886,32 4.861,33 5.122,34 3.686,35 3.996,36 5.749,37 3.854,38 4.843,39 5.109,40 3.717,41 3.927,42 5.789,43 3.806,44 4.734,45 4.973,46 3.632,47 3.862,48 5.702,49 3.746,50 4.747,51 5.02,52 3.452,53 3.778,54 5.714,55 3.638,56 0.065,57 0.739,58 11.806,59 4.584,60 15.044,61 6.424,62 0.326,63 1.107,64 20.834,65 8.013,66 51.171,67 11.127,68 0.264,69 1.314,70 27.142,71 9.404,72 47.057,73 13.853,74 0.402,75 1.363,76 30.357,77 10.255,78 61.413,79 15.11,80 0.272,81 1.334,82 29.932,83 10.356,84 51.724,85 15.54,86 0.491,87 1.26,88 30.153,89 9.562,90 61.486,91 14.508,92 0.282,93 1.19,94 26.433,95 8.548,96 46.956,97 12.907,98 0.453,99 1.143,100 27.58,101 7.669,102 63.848,103 12.259,104 36,105 35,106 0.263,107 0.61,108 0.784,109 0.858,110 0.878,111 0.891,112 3.303,113 0.971,114 -4.17,115 -4.12,116 -3.89,119 36.5,121 7,124 1,139 3,140 3,141 1,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 12,167 1,169 1,170 5,172 3,173 4,175 2,178 13,179 1,180 1,182 6,187 2,189 13,190 1,191 1,193 5,195 1,196 1,197 1,198 3,200 2,201 11,202 1,204 2,205 1,207 4,212 3,215 9,216 1,218 2,220 2,221 6,223 1,224 1,226 4,229 7,230 1,231 3,234 6,239 4,241 6,242 1,243 3,246 4,248 1,249 1,251 4,254 4,255 2,256 3,260 5,265 5,268 2,269 2,270 3,273 1200,274 17.284,275 17.284,276 17.284,277 17.284,278 17.284,279 15.524,280 21.377,281 10.542,282 17.641,283 13.276,284 13.276,285 13.276,286 13.276,287 13.276,288 10.602,289 24.119,290 4.985,291 13.758,292 4.148,293 2.096,294 1.067,295 0.63,296 0.515,297 0.438,298 3.969,300 1,301 1,302 1,303 649,304 3.742,307 189.461,314 2,315 27.546,317 1,318 1,319 0.83,320 0.83,321 1,322 1,323 1,324 1,325 0.95,326 57,327 320,328 4.331,329 3.596,330 6.251,331 3.956,332 2.98,333 3.975,334 2.341,335 9.444,336 2.911,337 4.161,338 3.255,339 5.984,340 3.722,341 2.765,342 3.813,343 0.86,344 8.479,345 2.65,346 3.572,347 2.933,348 5.253,349 3.269,350 2.286,351 2.883,352 0.68,353 6.647,354 2.242,355 3.549,356 2.582,357 4.963,358 3.232,359 2.23,360 2.746,362 5.821,363 2.209,364 3.44,365 2.324,366 4.659,367 3.025,368 2.101,369 2.71,371 5.184,372 1.935,373 2.928,374 1.939,375 4.42,376 2.672,377 1.673,378 2.074,380 4.275,381 1.666,382 2.774,383 1.763,384 4.075,385 2.544,386 1.595,387 1.889,389 3.51,390 1.509,391 2.737,392 1.497,393 3.738,394 2.294,395 1.345,396 1.736,398 3.409,399 1.271,400 2.17,401 1.271,402 3.231,403 2.064,404 1.068,405 1.137,407 2.204,408 1.058,409 1.863,410 1.076,411 3.103,412 1.598,413 0.678,414 0.775,415 1.315,416 0.616,417 1.562,418 0.694,419 2.804,420 1.309,421 0.344,422 0.402,423 0.787,424 0.328,425 1.371,426 0.615,427 2.56,428 1.196,429 0.248,430 0.269,431 0.465,432 0.235,433 0.971,434 0.359,435 2.359,436 0.676,437 -0.271,438 -0.312,439 -0.518,440 -0.253,441 0.819,442 0.085,443 2.289,444 0.557,445 -0.43,446 -0.492,448 -1.065,449 -0.422,450 0.789,451 -0.152,452 2.17,453 0.392,454 -0.515,455 -0.621,457 -1.243,458 -0.467,459 12.1,460 0.465,461 0.596,462 0.023,463 31,464 1.192,465 15,466 0.577,467 16,468 0.615,469 22.479,470 0.865,471 29.9,472 0.575,473 22.434,474 0.863,475 5.965,476 0.229,477 6.526,478 0.251,479 0.163,481 0.289,485 0.933,486 1.303,487 0.919,488 1.154,489 0.886,490 1.041,491 0.621,492 1.015,493 0.873,494 1.107,495 0.394,496 1.055,497 0.892,498 1.151,499 0.997,500 1.119,501 0.853,502 1.085,503 0.895,504 0.969,505 1.067,506 1.066,507 0.782,508 1.096,509 0.68,510 1.08,511 0.939,512 1.116,513 0.709,514 1.081,515 0.791,516 0.915,517 0.863,518 0.911,519 0.717,520 0.909,521 0.977,522 1.258,523 1.048,524 1.179,525 0.835,526 1.142,527 1.055,528 0.922,529 1.161,530 0.961,531 0.993,532 1.047,533 5.5,534 0.116,535 2.444,536 1.25,537 1.307,538 0.667,539 0.508,540 0.335,541 0.271,542 0.147,543 7967,544 23984,545 1.952,546 50,547 12,548 6,550 1,551 5,552 2,555 1.688,556 1.814,557 3.554,558 2.558,560 1,564 80.746,565 1.553,566 3.604,567 4.633,568 5.071,569 5.186,570 5.263,571 3.094,572 4.47,573 4.663,574 3.759,575 1221.81,576 8.073,577 16179,579 1,581 1,582 296.423,583 1.448,584 4.62,585 0.204,586 0.007,587 0.07,588 0.036,589 0.042,590 0.022,591 0.016,592 0.012,593 0.012,594 0.007,595 0.429,596 0.17,597 1,598 2.008,599 130.322,600 -0.114,601 0.008,602 -0.002,603 0.038,604 -0.108,605 0.043,606 0.204,607 0.129,608 0.059,609 0.014,610 0.265,611 0.003,612 -0.085,613 -0.091,614 -0.057,615 -0.052,616 -0.073,617 -0.051,618 -0.072,619 0.041,620 -0.118,621 -0.04,622 -0.056,623 -0.083,624 -0.008,625 -0.102,626 -0.01,627 -0.077,628 -0.035,629 -0.048,630 0.09,631 0.03,632 0.104,633 0.08,634 0.018,635 0.088,636 -0.091,637 -0.255,638 -0.091,639 -0.152,640 -0.073,641 -0.132,642 -0.135,643 0.066,644 -0.179,645 -0.032,646 -0.139,647 -0.095,648 2.393,649 3.507,650 0.462,651 29.55,652 1.002,653 1.138,654 2.944,655 8.668,656 0.63,657 3.332,658 3.584,659 3.738,660 3.912,661 4.111,662 4.127,663 4.127,664 4.174,665 4.248,666 4.174,667 7.207,668 0.597,669 358.49,670 3.332,671 4.828,672 5.624,673 6.46,674 7.28,675 8.124,676 8.957,677 9.807,678 10.648,679 11.501,680 7.7,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 1,718 52,719 13,720 1,721 27,723 53,724 19,725 10,726 3,727 3,729 2,730 2,739 7,741 11,742 8,744 1,748 1,751 1,753 1,754 1,757 26,758 7,759 5,760 7,764 4,769 1,770 3,776 1,781 2,792 1,800 1,802 2,806 1,810 26,811 2,815 1,816 7,818 1,829 5.8,831 1,832 1,834 1,836 14.333,837 9.183,838 5.972,839 3.086,840 2.322,841 1.344,842 0.923,843 7.822,844 9.065,845 3.555,846 4.078,847 4.516,848 4.999,849 5.517,850 5.615,851 5.783,852 6.118,853 6.456,854 6.652,855 1,856 35,857 9.563,859 3.866,860 7.91,861 18.149,863 14.227,865 2.41,866 62.667,868 1,869 1,870 247.193,871 86.038,872 99.365,874 78.828,877 86.038,878 326.021,879 99.365,880 10.883,881 17.742,882 94.223,883 114.08,884 34.847,885 4.227,886 235.422,888 247.193,889 185.403,890 78.828,893 247.193,894 78.828,897 28.688,898 123.144,899 33.571,901 247.193,902 178.194,903 86.038,906 247.193,907 37.679,908 48.359,910 178.194,911 247.193,912 178.194,913 86.038,915 0.563,916 0.306,917 0.155,918 0.085,919 13,920 7,921 0.189,922 10,924 1,925 3.838,926 193.741,928 12,929 122.211,933 20.147,934 10.095,935 6.584,937 178.194,938 7.782,939 8.009,943 4.387,945 108.478,946 511.425,947 34,951 10.507,954 -0.726,956 52.109,957 59.189,958 0.272,959 0.632,960 0.813,961 0.889,962 0.91,963 0.923,964 4.754,965 1.345,966 5.58,967 3.51,968 4.263,969 4.762,970 2.482,971 6.297,972 4.198,973 5.928,974 1.068,975 7.084,976 3.409,977 3.761,978 4.543,979 2.243,980 7.034,981 3.658,982 7.208,983 0.678,984 8.686,985 2.204,986 5.765,987 6.868,988 3.668,989 10.068,990 5.645,991 8.52,992 0.344,993 10.346,994 1.315,995 6.043,996 7.416,997 4.112,998 11.622,999 5.879,1000 9.862,1001 0.248,1002 12.042,1003 0.787,1004 7.525,1005 9.26,1006 5.207,1007 14.172,1008 7.35,1009 11.225,1010 -0.271,1011 13.765,1012 0.465,1013 8.188,1014 10.174,1015 5.889,1016 16.083,1017 7.971,1018 12.603,1019 -0.43,1020 15.508,1021 -0.518,1022 9.441,1023 11.804,1024 6.849,1025 18.447,1026 9.212,1027 2.98,1028 -0.515,1029 17.265,1030 -1.065,1031 10.306,1032 12.914,1033 7.625,1034 20.524,1035 10.038,1036 2.765,1037 9.444,1038 19.034,1039 -1.243,1040 11.455,1041 14.431,1042 8.526,1043 22.809,1044 11.171,1045 2.286,1046 8.479,1047 20.813,1048 3.975,1049 12.424,1050 15.649,1051 9.342,1052 24.965,1053 12.105,1054 2.23,1055 6.647,1056 22.598,1057 3.813,1058 13.528,1059 17.104,1060 10.216,1061 27.217,1062 13.19,1063 2.101,1064 5.821,1065 24.39,1066 2.883,1067 14.549,1068 18.385,1069 11.051,1070 29.41,1071 14.181,1072 1.673,1073 5.184,1074 26.187,1075 2.746,1076 15.634,1077 19.803,1078 11.912,1079 31.649,1080 15.245,1081 1.595,1082 4.275,1083 27.988,1084 2.71,1085 16.682,1086 21.12,1087 12.755,1088 33.863,1089 16.267,1090 8148,1091 14236,1092 17.394,1093 32.762,1094 38.693,1095 39.623,1096 39.924,1097 38.649,1098 38.628,1099 48.818,1100 7.762,1101 103.081,1102 37.261,1103 5.255,1104 5.596,1105 6.078,1106 5.025,1107 4.98,1108 6.975,1109 3.925,1110 15.9,1111 4.911,1112 15.372,1113 1.433,1114 1.468,1115 1.479,1116 1.431,1117 1.431,1118 1.808,1119 0.287,1120 3.818,1121 1.38,1122 4.003,1123 4.035,1124 3.948,1125 3.928,1126 7.474,1127 3.927,1128 3.824,1129 3.878,1130 3.776,1131 3.674,1132 6.351,1133 3.691,1134 3.743,1135 3.791,1136 3.614,1137 3.606,1138 5.291,1139 3.599,1140 3.515,1141 3.558,1142 3.391,1143 3.336,1144 4.979,1145 3.338,1146 3.277,1147 3.328,1148 3.135,1149 3.052,1150 4.841,1151 3.064,1152 3.215,1153 3.3,1154 3.073,1155 2.978,1156 4.448,1157 2.989,1158 3.101,1159 3.178,1160 2.901,1161 2.853,1162 4.378,1163 2.851,1164 2.997,1165 3.114,1166 2.837,1167 2.694,1168 4.102,1169 2.714,1170 0.16,1171 0.133,1172 0.232,1173 0.147,1174 0.11,1175 4.331,1176 0.147,1177 3.596,1178 0.087,1179 6.251,1180 0.35,1181 3.956,1182 0.108,1183 2.98,1184 3.975,1185 2.341,1186 9.444,1187 2.911,1188 1.965,1189 1.941,1190 2.087,1191 2.064,1192 1.394,1193 2.068,1194 1.781,1195 1.729,1196 1.982,1197 1.957,1198 1.241,1199 1.96,1200 1.716,1201 1.668,1202 1.845,1203 1.89,1204 1.071,1205 1.888,1206 1.481,1207 1.432,1208 1.72,1209 1.696,1210 0.866,1211 1.703,1212 1.218,1213 1.162,1214 1.568,1215 1.515,1216 0.644,1217 1.53,1218 1.167,1219 1.089,1220 1.436,1221 1.441,1222 0.559,1223 1.443,1224 1.063,1225 0.992,1226 1.363,1227 1.356,1228 0.399,1229 1.358,1230 0.908,1231 0.797,1232 1.234,1233 1.282,1234 0.272,1235 1.288,1236 4.007,1238 5.273,1240 6.72,1242 8.26,1244 9.853,1246 1.643,1250 11.481,1251 8.647,1252 5.484,1254 5.454,1262 31.025,1263 80.746,1264 187.426,1265 240.913,1266 263.668,1267 269.668,1268 273.668,1269 59.728,1270 6.743,1271 124.35,1272 124.35,1273 12,1274 12.06,1275 3.807,1276 3,1277 55.206,1278 108,1279 126,1280 0.242,1281 196.912,1282 342.63,1283 472.226,1284 7214,1286 18.941,1287 0.728,1288 0.58,1289 18.941,1290 15.072,1291 12.49,1292 0.463,1293 0.324,1294 8.616,1295 11.982,1296 8.401,1297 7.034,1298 12.49,1299 8.737,1300 10.884,1301 0.311,1302 0.179,1303 10.884,1304 6.27,1305 8.131,1306 0.198,1307 0.104,1308 8.131,1309 4.248,1310 6.319,1311 0.129,1312 0.058,1313 6.319,1314 2.86,1315 4.879,1316 0.081,1317 0.032,1318 4.879,1319 1.919,1320 0.389,1321 78.652,1322 0.24,1323 25.74,1324 0.636,1325 124,1326 383.535,1327 137.357,1328 369.464,1329 487.98,1330 342,1331 138,1332 344.184,1333 148.977,1334 350.195,1335 498.37,1336 326,1337 5.337}
{0 CHEMBL288647,1 1.65,2 11.679,3 2.748,4 7.551,5 106.417,6 7.926,7 0.6,8 3.983,9 4.091,10 3.577,11 3.475,12 5.24,13 3.49,14 4.442,15 4.584,16 3.911,17 3.825,18 5.753,19 3.819,20 4.623,21 4.772,22 3.965,23 3.954,24 5.819,25 3.93,26 4.772,27 4.966,28 3.865,29 3.946,30 5.925,31 3.889,32 4.749,33 4.968,34 3.827,35 3.913,36 5.827,37 3.841,38 4.712,39 4.929,40 3.833,41 3.847,42 5.896,43 3.789,44 4.612,45 4.82,46 3.752,47 3.795,48 5.716,49 3.739,50 4.543,51 4.755,52 3.624,53 3.736,54 5.685,55 3.664,56 0.134,57 0.694,58 8.978,59 4.056,60 19.354,61 4.806,62 0.426,63 1.029,64 16.242,65 6.853,66 52.402,67 8.257,68 0.308,69 1.213,70 19.127,71 7.915,72 32.567,73 9.789,74 0.58,75 1.29,76 25.476,77 9.025,78 69.435,79 11.401,80 0.525,81 1.245,82 25.725,83 9.213,84 58.48,85 12.451,86 0.784,87 1.176,88 25.61,89 8.434,90 85.484,91 11.449,92 0.56,93 1.1,94 22.381,95 7.703,96 47.577,97 10.269,98 0.384,99 1.067,100 19.86,101 6.949,102 43.38,103 9.433,104 30,105 41,106 0.279,107 0.649,108 0.81,109 0.893,110 0.901,111 0.901,112 3.374,113 0.845,114 -3.69,115 -3.66,116 -3.48,119 41.7,121 1,124 1,125 1,139 7,140 4,141 2,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 10,167 1,169 1,170 8,172 3,173 4,175 2,178 10,179 2,180 1,182 11,187 3,189 7,190 2,191 1,193 8,195 1,196 1,197 1,198 4,200 2,201 4,202 1,204 2,205 1,206 1,207 5,208 1,212 3,215 7,218 2,220 3,221 2,223 1,224 2,226 2,229 9,231 2,233 2,234 3,236 1,237 1,239 2,241 9,242 2,243 2,246 4,248 1,249 1,251 3,254 6,255 2,256 1,260 6,262 1,263 1,265 4,268 3,269 1,270 2,273 1264,274 18.679,275 18.679,276 18.679,277 18.679,278 18.679,279 16.258,280 24.419,281 10.97,282 19.156,283 14.727,284 14.727,285 14.727,286 14.727,287 14.727,288 11.053,289 31.556,290 5.129,291 15.404,292 3.935,293 1.751,294 0.8,295 0.307,296 0.266,297 0.266,298 4.055,300 1,301 1,302 1,303 686,304 3.317,307 296.744,314 1.796,315 33.632,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 62,327 327,328 4.331,329 3.579,330 6.251,331 3.952,332 2.981,333 3.976,334 1.437,335 9.445,336 2.894,337 4.196,338 3.267,339 5.985,340 3.817,341 2.821,342 3.816,343 1.151,344 8.489,345 2.807,346 4.158,347 2.983,348 5.975,349 3.714,350 2.762,351 3.787,352 0.86,353 8.456,354 2.627,355 3.659,356 2.867,357 5.327,358 3.32,359 2.362,360 2.962,361 0.68,362 6.816,363 2.272,364 3.52,365 2.54,366 5.151,367 3.12,368 2.163,369 2.843,371 6.316,372 2.045,373 3.435,374 2.324,375 4.963,376 3.017,377 2.093,378 2.741,380 5.821,381 1.925,382 2.928,383 1.954,384 4.42,385 2.544,386 1.595,387 2.074,389 4.273,390 1.509,391 2.844,392 1.88,393 4.074,394 2.375,395 1.381,396 1.942,398 3.497,399 1.362,400 2.773,401 1.501,402 3.785,403 2.293,404 1.344,405 1.889,407 3.081,408 1.271,409 2.53,410 1.27,411 3.437,412 2.005,413 1,414 1.475,415 2.324,416 0.994,417 2.007,418 1.148,419 3.246,420 1.698,421 0.808,422 0.937,423 1.751,424 0.711,425 1.726,426 0.938,427 3.1,428 1.428,429 0.515,430 0.604,431 1.124,432 0.464,433 1.525,434 0.615,435 2.771,436 1.226,437 0.312,438 0.366,439 0.617,440 0.284,441 0.989,442 0.435,443 2.452,444 0.656,445 -0.272,446 -0.325,448 -0.532,449 -0.25,450 0.882,451 0.15,452 2.359,453 0.522,454 -0.444,455 -0.55,457 -1.188,458 -0.427,459 12.933,460 0.462,461 0.715,462 0.026,463 39.5,464 1.411,465 21.5,466 0.768,467 18,468 0.643,469 19.554,470 0.698,471 30.267,472 0.631,473 31.074,474 1.11,475 8.236,476 0.294,477 5.22,478 0.186,479 0.152,481 0.348,485 0.952,486 1.157,487 0.784,488 1.002,489 0.934,490 0.868,491 0.855,492 0.845,493 0.789,494 0.912,495 0.486,496 0.86,497 1.005,498 1.278,499 1.028,500 1.259,501 0.764,502 1.166,503 1.203,504 0.985,505 1.177,506 1.1,507 1.031,508 1.13,509 0.824,510 1.036,511 0.934,512 1.076,513 0.766,514 1.039,515 0.839,516 0.872,517 0.902,518 0.87,519 0.877,520 0.901,521 0.956,522 0.973,523 0.963,524 0.939,525 0.557,526 0.96,527 0.86,528 1.084,529 1.122,530 1.161,531 0.772,532 1.177,533 6.5,534 0.144,535 3.111,536 1.5,537 1.729,538 0.826,539 0.529,540 0.465,541 0.304,542 0.233,543 9808,544 32048,545 2.013,546 41.7,547 2,548 12,550 1,551 5,555 1.71,556 1.867,557 3.519,558 2.502,559 1,560 1,564 79.201,565 1.65,566 3.834,567 4.785,568 5.278,569 5.319,570 5.319,571 2.942,572 4.111,573 4.78,574 3.69,575 1394.81,576 8.309,577 18977.1,579 1,581 1,582 268.078,583 1.47,584 4.727,585 0.217,586 0.007,587 0.076,588 0.036,589 0.048,590 0.024,591 0.015,592 0.014,593 0.011,594 0.009,595 0.456,596 0.17,597 1,598 0.887,599 142.107,600 -0.143,601 0.022,603 0.045,604 -0.192,605 0.063,606 0.09,607 0.234,608 0.082,609 0.123,610 0.212,611 0.096,612 -0.135,613 -0.207,614 -0.165,615 -0.23,616 -0.055,617 -0.206,618 -0.177,619 -0.001,620 -0.213,621 -0.112,622 -0.132,623 -0.162,624 0.029,625 -0.094,626 0.04,627 -0.066,628 -0.011,629 -0.017,630 0.178,631 0.068,632 0.106,633 0.112,634 0.049,635 0.094,637 -0.007,638 0.015,639 0.054,640 0.026,641 0.032,642 -0.074,643 -0.054,644 -0.186,645 -0.184,646 -0.044,647 -0.196,648 2.642,649 4.082,650 0.643,651 27.367,652 1.016,653 1.128,654 2.464,655 6.072,656 0.665,657 3.434,658 3.738,659 3.951,660 4.143,661 4.369,662 4.357,663 4.394,664 4.454,665 4.585,666 4.615,667 6.985,668 0.649,669 380.44,670 3.434,671 4.963,672 5.79,673 6.648,674 7.492,675 8.35,676 9.2,677 10.059,678 10.911,679 11.77,680 8.3,684 2,690 2,695 8,696 2,700 8,702 18,709 1,711 2,716 2,718 48,719 19,720 2,721 30,723 50,724 20,725 16,726 5,727 7,728 1,729 3,730 3,739 1,741 17,742 3,744 1,748 1,751 1,753 1,754 1,757 20,758 8,759 5,760 8,764 4,769 1,770 4,776 1,781 3,800 1,802 3,806 1,810 28,811 2,815 1,816 2,818 2,829 8.3,831 1,832 1,834 2,836 15,837 8.683,838 6.25,839 2.454,840 3.32,841 1.459,842 0.956,843 6.213,844 10.554,845 3.714,846 4.311,847 4.834,848 5.339,849 5.873,850 5.942,851 6.166,852 6.461,853 6.889,854 7.207,855 0.875,856 42,857 10.268,859 4.289,860 8,861 18.978,863 14.903,865 2.5,866 70,869 1,870 176.567,871 121.757,872 99.365,874 89.828,877 121.757,878 266.395,879 99.365,880 10.883,881 7.127,882 132.128,883 114.08,884 54.276,885 4.227,886 164.795,888 176.567,889 221.123,890 89.828,893 176.567,894 89.828,897 18.073,898 169.478,899 33.571,901 176.567,902 189.193,903 121.757,906 176.567,907 35.493,908 86.264,910 189.193,911 176.567,912 189.193,913 121.757,915 0.579,916 0.333,917 0.169,918 0.095,919 18,920 9,921 0.14,922 7,924 1,925 3.956,926 230.41,928 18,929 132.606,933 19.766,934 8.801,935 5.057,937 189.193,938 13.626,939 7.95,943 4.269,945 108.478,946 487.517,947 40,951 11.082,954 -0.975,956 48.785,957 54.152,958 0.295,959 0.686,960 0.857,961 0.945,962 0.952,963 0.952,964 4.931,965 1.381,966 5.771,967 4.273,968 4.419,969 4.997,970 2.321,971 6.535,972 4.339,973 6.141,974 1.344,975 7.309,976 3.497,977 4.007,978 4.796,980 7.338,981 3.904,982 7.443,983 1,984 8.939,985 3.081,986 5.979,987 7.17,988 2.678,989 10.363,990 5.839,991 8.775,992 0.808,993 10.621,994 2.324,995 6.33,996 7.71,998 11.931,999 6.167,1000 10.133,1001 0.515,1002 12.335,1003 1.751,1004 7.788,1005 9.589,1006 3.188,1007 14.466,1008 7.599,1009 11.509,1010 0.312,1011 14.07,1012 1.124,1013 8.494,1014 10.486,1016 16.367,1017 8.284,1018 12.899,1019 -0.272,1020 15.82,1021 0.617,1022 9.733,1023 12.135,1024 3.787,1025 18.713,1026 9.501,1027 2.981,1028 -0.444,1029 17.582,1030 -0.532,1031 10.617,1032 13.225,1034 20.773,1035 10.362,1036 2.821,1037 9.445,1038 19.352,1039 -1.188,1040 11.757,1041 14.753,1042 4.437,1043 23.04,1044 11.481,1045 2.762,1046 8.489,1047 21.129,1048 3.976,1049 12.73,1050 15.953,1052 25.179,1053 12.431,1054 2.362,1055 8.456,1056 22.912,1057 3.816,1058 13.826,1059 17.411,1060 5.117,1061 27.414,1062 13.506,1063 2.163,1064 6.816,1065 24.7,1066 3.787,1067 14.845,1068 18.675,1070 29.592,1071 14.501,1072 2.093,1073 6.316,1074 26.491,1075 2.962,1076 15.923,1077 20.093,1078 5.813,1079 31.817,1080 15.557,1081 1.595,1082 5.821,1083 28.286,1084 2.843,1085 16.965,1086 21.396,1088 34.016,1089 16.576,1090 9641,1091 17546,1092 19.592,1093 31.932,1094 44.599,1095 45.696,1096 45.903,1097 44.235,1098 44.273,1099 58.822,1100 8.255,1101 124.017,1102 42.331,1103 5.169,1104 5.579,1105 5.805,1106 5.021,1107 4.981,1108 6.976,1109 2.873,1110 15.901,1111 4.894,1112 15.846,1113 1.487,1114 1.523,1115 1.53,1116 1.474,1117 1.476,1118 1.961,1119 0.275,1120 4.134,1121 1.411,1122 4.003,1123 4.028,1124 3.954,1125 3.916,1126 7.475,1127 3.92,1128 3.916,1129 3.942,1130 3.865,1131 3.847,1132 6.351,1133 3.846,1134 3.8,1135 3.84,1136 3.761,1137 3.644,1138 5.291,1139 3.668,1140 3.37,1141 3.382,1142 3.304,1143 3.138,1144 4.98,1145 3.169,1146 3.25,1147 3.304,1148 3.139,1149 3.011,1150 4.908,1151 3.03,1152 3.212,1153 3.277,1154 3.073,1155 2.964,1156 4.708,1157 2.981,1158 3.095,1159 3.155,1160 2.926,1161 2.891,1162 4.519,1163 2.89,1164 2.998,1165 3.115,1166 2.84,1167 2.695,1168 4.446,1169 2.714,1170 0.144,1171 0.119,1172 0.208,1173 0.132,1174 0.099,1175 4.331,1176 0.133,1177 3.579,1178 0.048,1179 6.251,1180 0.315,1181 3.952,1182 0.096,1183 2.981,1184 3.976,1185 1.437,1186 9.445,1187 2.894,1188 1.944,1189 1.925,1190 2.042,1191 2.055,1192 1.211,1193 2.048,1194 1.904,1195 1.882,1196 2.004,1197 2,1198 1.148,1199 2.001,1200 1.727,1201 1.685,1202 1.815,1203 1.907,1204 0.868,1205 1.884,1206 1.261,1207 1.236,1208 1.571,1209 1.548,1210 0.618,1211 1.543,1212 1.177,1213 1.114,1214 1.454,1215 1.476,1216 0.568,1217 1.467,1218 1.151,1219 1.085,1220 1.389,1221 1.421,1222 0.4,1223 1.407,1224 1.043,1225 1,1226 1.239,1227 1.323,1228 0.227,1229 1.304,1230 0.908,1231 0.797,1232 1.234,1233 1.277,1234 0.116,1235 1.283,1236 4.111,1238 5.416,1240 6.911,1242 8.49,1244 10.111,1246 1.583,1250 11.462,1251 9.085,1252 0.682,1254 11.237,1262 31.159,1263 79.201,1264 184.02,1265 229.672,1266 253.323,1267 255.323,1268 255.323,1269 54.115,1270 7.233,1271 133.58,1272 133.58,1273 18,1274 12.322,1275 4.322,1276 3.459,1277 49.726,1278 118,1279 106,1280 0.205,1281 194.325,1282 337.54,1283 465.914,1284 13683,1286 20.096,1287 0.718,1288 0.545,1289 20.096,1290 15.254,1291 13.457,1292 0.449,1293 0.282,1294 8.293,1295 12.825,1296 8.084,1297 6.737,1298 13.457,1299 8.448,1300 12.113,1301 0.295,1302 0.148,1303 12.113,1304 6.083,1305 9.737,1306 0.191,1307 0.081,1308 9.737,1309 4.129,1310 7.651,1311 0.123,1312 0.044,1313 7.651,1314 2.719,1315 6.185,1316 0.079,1317 0.023,1318 6.185,1319 1.805,1320 0.325,1321 85.358,1322 0.226,1323 26.972,1324 0.55,1325 142,1326 479.271,1327 158.9,1328 458.367,1329 612.96,1330 426,1331 163,1332 439.638,1333 178.296,1334 447.113,1335 643.87,1336 416,1337 4.721}
{0 CHEMBL289904,1 1.574,2 13.964,3 3.41,4 11.63,5 108.989,6 6.938,7 0.414,8 4.098,9 4.226,10 3.568,11 3.537,12 5.237,13 3.523,14 4.619,15 4.804,16 3.857,17 3.888,18 5.766,19 3.833,20 4.856,21 5.079,22 3.873,23 4.013,24 5.837,25 3.932,26 4.913,27 5.151,28 3.797,29 4.025,30 5.884,31 3.915,32 4.921,33 5.174,34 3.768,35 4.012,36 5.842,37 3.888,38 4.884,39 5.141,40 3.799,41 3.939,42 5.853,43 3.836,44 4.809,45 5.043,46 3.726,47 3.857,48 5.831,49 3.766,50 4.742,51 4.99,52 3.533,53 3.786,54 5.722,55 3.67,56 0.085,57 0.78,58 12.765,59 4.928,60 15.949,61 6.839,62 0.396,63 1.149,64 22.931,65 8.403,66 56.232,67 11.603,68 0.408,69 1.338,70 29.918,71 9.628,72 54.864,73 14.188,74 0.509,75 1.371,76 32.032,77 10.274,78 66.34,79 15.086,80 0.512,81 1.35,82 32.39,83 10.46,84 61.415,85 15.704,86 0.538,87 1.271,88 31.516,89 9.617,90 63.772,91 14.628,92 0.61,93 1.172,94 29.456,95 8.601,96 64.064,97 12.858,98 0.503,99 1.11,100 27.425,101 7.814,102 62.003,103 12.021,104 38,105 37,106 0.262,107 0.602,108 0.779,109 0.86,110 0.894,111 0.894,112 3.373,113 0.97,114 -3.92,115 -3.88,116 -3.68,119 35.7,121 7,124 1,125 1,139 3,140 2,141 2,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 9,167 1,169 1,170 8,172 3,173 4,175 2,178 8,179 1,180 1,182 9,187 2,189 7,190 1,191 1,193 6,195 1,196 1,197 1,198 3,200 2,201 6,202 1,204 2,205 1,206 1,207 5,212 3,215 6,216 1,218 2,220 2,221 4,223 1,224 1,226 3,229 5,230 1,231 2,233 2,234 5,236 1,237 1,239 3,241 6,243 2,246 1,247 1,248 1,249 1,251 1,254 6,256 1,259 1,260 3,262 1,263 2,265 2,268 6,270 2,273 1466,274 18.698,275 18.698,276 18.698,277 18.698,278 18.698,279 16.938,280 23.131,281 11.542,282 19.193,283 14.276,284 14.276,285 14.276,286 14.276,287 14.276,288 11.602,289 28.299,290 5.485,291 14.975,292 4.233,293 2.198,294 1.134,295 0.648,296 0.442,297 0.442,298 4.042,301 1,302 1,303 795,304 4,307 209.56,314 2.184,315 31.627,318 1,319 0.83,320 0.83,321 1,322 1,323 0.83,324 0.5,325 0.86,326 62,327 391,328 4.331,329 3.596,330 6.251,331 3.951,332 2.98,333 3.975,334 2.341,335 9.444,336 2.894,337 4.161,338 3.264,339 5.984,340 3.715,341 2.765,342 3.813,343 0.86,344 8.479,345 2.627,346 3.571,347 2.951,348 5.253,349 3.242,350 2.283,351 2.883,352 0.86,353 6.647,354 2.224,355 3.55,356 2.732,357 4.963,358 3.201,359 2.235,360 2.746,361 0.68,362 5.821,363 2.09,364 3.44,365 2.324,366 4.659,367 3.023,368 2.101,369 2.71,371 5.184,372 1.93,373 2.928,374 1.962,375 4.42,376 2.802,377 1.808,378 2.074,380 4.275,381 1.794,382 2.845,383 1.877,384 4.075,385 2.544,386 1.596,387 1.889,389 3.669,390 1.509,391 2.773,392 1.635,393 3.845,394 2.372,395 1.396,396 1.846,398 3.494,399 1.355,400 2.46,401 1.483,402 3.473,403 2.293,404 1.342,405 1.449,407 2.845,408 1.271,409 1.997,410 1.227,411 3.134,412 1.833,413 0.887,414 0.95,415 1.816,416 0.829,417 1.81,418 1.047,419 3.021,420 1.565,421 0.646,422 0.728,423 1.262,424 0.586,425 1.552,426 0.698,427 2.756,428 1.27,429 0.334,430 0.391,431 0.738,432 0.31,433 1.311,434 0.615,435 2.499,436 1.148,437 0.21,438 0.223,439 0.403,440 0.195,441 0.972,442 0.355,443 2.359,444 0.686,445 -0.253,446 -0.284,448 -0.483,449 -0.234,450 0.833,451 0.119,452 2.279,453 0.577,454 -0.389,455 -0.446,457 -0.921,458 -0.374,459 12.933,460 0.462,461 0.596,462 0.021,463 33,464 1.179,465 15.5,466 0.554,467 17.5,468 0.625,469 24.524,470 0.876,471 32.667,472 0.583,473 24.468,474 0.874,475 6.388,476 0.228,477 7.102,478 0.254,479 0.152,481 0.271,485 0.938,486 1.37,487 0.905,488 1.227,489 0.888,490 1.073,491 0.791,492 1.059,493 0.9,494 1.141,495 0.445,496 1.067,497 1.057,498 1.116,499 0.994,500 1.066,501 0.899,502 1.028,503 1.019,504 0.988,505 1.079,506 1.069,507 0.846,508 1.087,509 0.799,510 1.041,511 0.95,512 1.059,513 0.76,514 1.041,515 0.825,516 0.992,517 0.855,518 0.982,519 0.74,520 0.938,521 1.185,522 1.055,523 1.051,524 1.016,525 0.886,526 1.023,527 1.158,528 1.01,529 1.181,530 1.043,531 1.041,532 1.101,533 5.5,534 0.124,535 2.444,536 1.25,537 1.307,538 0.667,539 0.508,540 0.366,541 0.246,542 0.127,543 10353,544 31310,545 1.956,546 50,547 10,548 8,550 1,551 5,552 2,553 2,555 1.705,556 1.826,557 3.719,558 2.502,560 1,564 88.167,565 1.574,566 3.61,567 4.674,568 5.16,569 5.365,570 5.365,571 3.244,572 4.253,573 4.769,574 3.938,575 1488.48,576 8.274,577 21469.8,579 1,581 1,582 325.212,583 1.405,584 4.732,585 0.19,586 0.007,587 0.066,588 0.034,589 0.04,590 0.021,591 0.015,592 0.012,593 0.01,594 0.006,595 0.401,596 0.17,597 0.88,598 2.261,599 145.506,600 -0.106,601 -0.042,602 0.007,603 -0.011,604 -0.105,605 0.023,606 0.128,607 0.08,608 0.045,609 -0.023,610 0.247,611 -0.016,612 -0.119,613 -0.077,614 -0.033,615 -0.018,616 -0.079,617 -0.01,618 -0.102,619 0.026,620 -0.116,621 -0.046,622 -0.075,623 -0.081,624 0.02,625 -0.069,627 -0.034,628 -0.039,629 -0.022,630 0.078,631 -0.036,632 0.116,633 0.011,634 0.025,635 0.06,636 -0.043,637 -0.088,638 -0.049,639 -0.029,640 -0.044,641 -0.048,642 -0.154,643 -0.012,644 -0.196,645 -0.076,646 -0.158,647 -0.133,648 2.397,649 3.465,650 0.429,651 35.551,652 1.006,653 1.14,654 2.691,655 7.243,656 0.625,657 3.401,658 3.638,659 3.784,660 3.951,661 4.143,662 4.159,663 4.159,664 4.205,665 4.263,666 4.205,667 8.095,668 0.594,669 388.52,670 3.401,671 4.89,672 5.68,673 6.509,674 7.323,675 8.161,676 8.99,677 9.835,678 10.672,679 11.522,680 7.1,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 2,718 56,719 13,720 1,721 29,723 57,724 20,725 10,726 3,727 3,729 2,730 2,739 7,741 11,742 9,744 1,748 1,751 1,754 1,757 28,758 8,759 5,760 8,764 4,769 1,770 4,776 1,781 2,792 1,800 1,802 2,806 1,810 28,811 2,815 1,816 8,818 2,829 7.1,831 1,832 1,834 2,836 15.333,837 9.85,838 6.472,839 3.336,840 2.301,841 1.335,842 0.915,843 9.145,844 9.171,845 3.611,846 4.111,847 4.538,848 5.012,849 5.525,850 5.622,851 5.789,852 6.122,853 6.453,854 6.648,855 1,856 37,857 10.303,859 4.144,860 7.917,861 19.5,863 15.112,865 2.417,866 67.667,868 1,869 1,870 270.735,871 92.688,872 99.365,874 89.828,877 92.688,878 360.563,879 99.365,880 10.883,881 22.334,882 94.223,883 114.08,884 47.905,885 4.227,886 258.964,888 270.735,889 192.054,890 89.828,893 247.193,894 113.37,897 33.281,898 125.202,899 33.571,901 270.735,902 189.193,903 92.688,906 270.735,907 44.329,908 48.359,910 189.193,911 270.735,912 189.193,913 92.688,915 0.558,916 0.302,917 0.153,918 0.084,919 13,920 7,921 0.211,922 12,924 1,925 4.081,926 210.303,928 12,929 134.606,933 22.085,934 11.594,935 7.754,937 189.193,938 7.291,939 7.985,943 3.69,945 108.478,946 552.617,947 36,951 10.465,954 -0.731,956 56.32,957 63.813,958 0.271,959 0.622,960 0.805,961 0.888,962 0.924,963 0.924,964 4.804,965 1.396,966 5.624,967 3.669,968 4.317,969 4.796,970 2.599,971 6.326,972 4.228,973 5.965,974 1.342,975 7.117,976 3.494,977 3.761,978 4.543,979 2.243,980 7.034,981 3.627,982 7.235,983 0.887,984 8.71,985 2.845,986 5.802,987 6.881,988 3.696,989 10.076,990 5.635,991 8.54,992 0.646,993 10.362,994 1.816,995 6.043,996 7.416,997 4.112,998 11.622,999 5.827,1000 9.877,1001 0.334,1002 12.053,1003 1.262,1004 7.546,1005 9.264,1006 5.211,1007 14.173,1008 7.308,1009 11.235,1010 0.21,1011 13.773,1012 0.738,1013 8.188,1014 10.174,1015 5.889,1016 16.083,1017 7.905,1018 12.611,1019 -0.253,1020 15.513,1021 0.403,1022 9.452,1023 11.805,1024 6.85,1025 18.447,1026 9.148,1027 2.98,1028 -0.389,1029 17.268,1030 -0.483,1031 10.306,1032 12.914,1033 7.625,1034 20.524,1035 9.961,1036 2.765,1037 9.444,1038 19.036,1039 -0.921,1040 11.461,1041 14.431,1042 8.526,1043 22.809,1044 11.093,1045 2.283,1046 8.479,1047 20.814,1048 3.975,1049 12.424,1050 15.649,1051 9.342,1052 24.965,1053 12.02,1054 2.235,1055 6.647,1056 22.599,1057 3.813,1058 13.53,1059 17.104,1060 10.216,1061 27.217,1062 13.102,1063 2.101,1064 5.821,1065 24.391,1066 2.883,1067 14.549,1068 18.385,1069 11.051,1070 29.41,1071 14.088,1072 1.808,1073 5.184,1074 26.188,1075 2.746,1076 15.635,1077 19.803,1078 11.912,1079 31.649,1080 15.148,1081 1.596,1082 4.275,1083 27.988,1084 2.71,1085 16.682,1086 21.12,1087 12.755,1088 33.863,1089 16.164,1090 10534,1091 18434,1092 18.781,1093 34.978,1094 41.18,1095 42.319,1096 42.423,1097 41.173,1098 41.167,1099 51.356,1100 9.482,1101 108.156,1102 39.227,1103 5.276,1104 5.596,1105 6.142,1106 5.02,1107 4.98,1108 6.975,1109 3.925,1110 15.9,1111 4.894,1112 16.347,1113 1.42,1114 1.459,1115 1.463,1116 1.42,1117 1.42,1118 1.771,1119 0.327,1120 3.73,1121 1.353,1122 3.989,1123 4.018,1124 3.94,1125 3.895,1126 7.474,1127 3.901,1128 3.811,1129 3.861,1130 3.768,1131 3.657,1132 6.351,1133 3.672,1134 3.776,1135 3.826,1136 3.636,1137 3.641,1138 5.291,1139 3.636,1140 3.586,1141 3.631,1142 3.455,1143 3.409,1144 4.98,1145 3.407,1146 3.333,1147 3.371,1148 3.204,1149 3.089,1150 4.898,1151 3.107,1152 3.231,1153 3.305,1154 3.077,1155 3,1156 4.574,1157 3.008,1158 3.198,1159 3.275,1160 3.039,1161 2.952,1162 4.447,1163 2.962,1164 3.005,1165 3.126,1166 2.845,1167 2.7,1168 4.184,1169 2.714,1170 0.149,1171 0.124,1172 0.216,1173 0.136,1174 0.103,1175 4.331,1176 0.137,1177 3.596,1178 0.081,1179 6.251,1180 0.326,1181 3.951,1182 0.1,1183 2.98,1184 3.975,1185 2.341,1186 9.444,1187 2.894,1188 1.932,1189 1.912,1190 2.042,1191 2.05,1192 1.387,1193 2.043,1194 1.785,1195 1.729,1196 2.013,1197 1.955,1198 1.21,1199 1.977,1200 1.727,1201 1.684,1202 1.839,1203 1.909,1204 1.138,1205 1.89,1206 1.561,1207 1.509,1208 1.8,1209 1.768,1210 0.87,1211 1.782,1212 1.258,1213 1.211,1214 1.572,1215 1.546,1216 0.784,1217 1.546,1218 1.181,1219 1.106,1220 1.53,1221 1.485,1222 0.572,1223 1.5,1224 1.155,1225 1.082,1226 1.398,1227 1.42,1228 0.425,1229 1.42,1230 0.909,1231 0.834,1232 1.235,1233 1.296,1234 0.396,1235 1.296,1236 4.078,1238 5.333,1240 6.767,1242 8.296,1244 9.879,1246 1.618,1250 11.475,1251 8.612,1252 5.985,1254 11.276,1262 33.266,1263 88.167,1264 202.137,1265 261.728,1266 288.947,1267 300.457,1268 300.457,1269 68.927,1270 6.87,1271 133.58,1272 133.58,1273 12,1274 12.083,1275 3.807,1276 3,1277 62.382,1278 133,1279 152,1280 0.222,1281 210.501,1282 368.72,1283 505.382,1284 8895,1286 20.355,1287 0.727,1288 0.578,1289 20.355,1290 16.187,1291 13.49,1292 0.465,1293 0.323,1294 9.222,1295 12.845,1296 9.018,1297 7.538,1298 13.49,1299 9.377,1300 11.591,1301 0.313,1302 0.177,1303 11.591,1304 6.549,1305 8.631,1306 0.201,1307 0.101,1308 8.631,1309 4.353,1310 6.672,1311 0.131,1312 0.056,1313 6.672,1314 2.857,1315 5.129,1316 0.083,1317 0.03,1318 5.129,1319 1.858,1320 0.364,1321 85.56,1322 0.231,1323 27.714,1324 0.57,1325 132,1326 435.271,1327 148.9,1328 411.051,1329 542.38,1330 382,1331 146,1332 381.638,1333 160.299,1334 383.845,1335 547.93,1336 358,1337 4.921}
{0 CHEMBL289908,1 1.604,2 12.667,3 3.525,4 12.428,5 115.773,6 7.565,7 0.563,8 4.085,9 4.199,10 3.64,11 3.579,12 5.295,13 3.579,14 4.567,15 4.723,16 3.963,17 3.935,18 5.805,19 3.908,20 4.777,21 4.955,22 4.031,23 4.07,24 5.881,25 4.026,26 4.897,27 5.094,28 3.976,29 4.083,30 6.068,31 4.01,32 4.904,33 5.129,34 3.867,35 4.078,36 5.912,37 3.971,38 4.924,39 5.174,40 3.84,41 4.011,42 5.919,43 3.908,44 4.793,45 5.022,46 3.773,47 3.939,48 5.791,49 3.845,50 4.794,51 5.049,52 3.667,53 3.879,54 5.831,55 3.774,56 0.107,57 0.771,58 10.884,59 4.731,60 18.544,61 5.929,62 0.405,63 1.157,64 19.655,65 8.059,66 54.222,67 10.215,68 0.311,69 1.376,70 24.814,71 9.507,72 39.556,73 12.541,74 0.698,75 1.458,76 29.772,77 10.501,78 77.956,79 13.918,80 0.389,81 1.462,82 30.2,83 11.147,84 61.225,85 15.428,86 0.668,87 1.416,88 32.959,89 10.821,90 81.688,91 15.326,92 0.411,93 1.307,94 27.514,95 9.514,96 57.238,97 13.308,98 0.683,99 1.286,100 28.894,101 8.551,102 77.262,103 12.447,104 30,105 43,106 0.265,107 0.638,108 0.816,109 0.889,110 0.901,111 0.901,112 3.44,113 0.886,114 -4.14,115 -4.08,116 -3.86,119 40.7,121 3,124 1,125 1,139 7,140 4,141 2,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 12,167 1,169 1,170 8,172 3,173 4,175 2,178 13,179 1,180 1,182 9,183 1,187 2,189 11,190 2,191 1,192 1,193 8,195 1,196 2,197 1,198 4,200 2,201 8,202 1,204 2,205 1,207 6,212 3,215 7,216 1,218 2,220 2,221 8,223 1,224 1,226 4,229 6,230 1,231 3,234 6,239 4,241 7,242 1,243 3,245 1,246 4,248 1,249 1,251 4,254 9,255 2,256 3,260 2,265 4,268 8,269 2,270 2,273 1588,274 20.146,275 20.146,276 20.146,277 20.146,278 20.146,279 17.697,280 25.905,281 12.012,282 20.633,283 15.721,284 15.721,285 15.721,286 15.721,287 15.721,288 12.035,289 31.596,290 5.599,291 16.41,292 4.151,293 1.897,294 0.822,295 0.384,296 0.31,297 0.31,298 4.122,301 1,302 1,303 796,304 3.606,307 329.206,314 2.044,315 34.388,318 1,319 1,320 0.83,321 0.8,322 0.5,323 1,324 1,325 0.88,326 66,327 380,328 4.331,329 3.618,330 6.403,331 3.956,332 2.98,333 3.975,334 1.437,335 9.738,336 2.911,337 4.316,338 3.256,339 6.251,340 3.937,341 2.958,342 3.928,343 0.86,344 9.444,345 2.89,346 4.161,347 2.935,348 5.984,349 3.722,350 2.765,351 3.813,352 0.86,353 8.479,354 2.65,355 3.571,356 2.875,357 5.253,358 3.26,359 2.282,360 2.883,361 0.68,362 6.648,363 2.226,364 3.44,365 2.579,366 4.963,367 3.025,368 2.101,369 2.746,371 5.821,372 1.935,373 3.376,374 2.324,375 4.912,376 2.968,377 2.006,378 2.597,380 5.327,381 1.909,382 2.949,383 1.953,384 4.42,385 2.553,386 1.599,387 2.114,389 4.275,390 1.518,391 2.928,392 1.908,393 4.075,394 2.543,395 1.584,396 2.074,398 3.501,399 1.509,400 2.773,401 1.502,402 3.789,403 2.299,404 1.349,405 1.889,407 3.337,408 1.279,409 2.533,410 1.397,411 3.551,412 2.279,413 1.299,414 1.484,415 2.825,416 1.266,417 2.485,418 1.306,419 3.466,420 2.005,421 1,422 1.474,423 2.304,424 0.994,425 1.911,426 1.115,427 3.132,428 1.631,429 0.721,430 0.829,431 1.439,432 0.648,433 1.619,434 0.723,435 2.993,436 1.361,437 0.426,438 0.488,439 0.981,440 0.394,441 1.499,442 0.615,443 2.723,444 1.219,445 0.306,446 0.355,448 0.594,449 0.278,450 1.027,451 0.452,452 2.394,453 0.724,454 -0.219,455 -0.256,457 -0.436,458 -0.204,459 13.933,460 0.464,461 0.698,462 0.023,463 40.5,464 1.35,465 21.5,466 0.717,467 19,468 0.633,469 23.244,470 0.775,471 32.867,472 0.609,473 31.818,474 1.061,475 8.277,476 0.276,477 6.197,478 0.207,479 0.141,481 0.323,485 0.936,486 1.186,487 0.82,488 1.048,489 0.909,490 0.922,491 0.823,492 0.908,493 0.831,494 0.981,495 0.477,496 0.931,497 0.987,498 1.183,499 0.966,500 1.153,501 0.743,502 1.07,503 1.036,504 0.994,505 1.132,506 1.103,507 0.865,508 1.135,509 0.825,510 1.135,511 1.035,512 1.2,513 0.868,514 1.171,515 0.91,516 0.887,517 0.94,518 0.906,519 0.885,520 0.934,521 0.945,522 1.163,523 1.013,524 1.103,525 0.84,526 1.084,527 0.997,528 0.781,529 1.106,530 0.813,531 1.002,532 0.935,533 6,534 0.165,535 3.333,536 1.875,537 1.649,538 0.826,539 0.568,540 0.41,541 0.288,542 0.194,543 12458,544 38478,545 2.012,546 44.4,547 4,548 12,550 1,551 5,553 2,555 1.726,556 1.875,557 3.604,558 2.419,560 1,564 86.617,565 1.604,566 3.857,567 4.933,568 5.371,569 5.445,570 5.445,571 3.086,572 4.574,573 4.881,574 3.834,575 1667.85,576 8.497,577 24591.6,579 1,581 1,582 310.764,583 1.436,584 4.831,585 0.188,586 0.007,587 0.078,588 0.042,589 0.041,590 0.023,591 0.016,592 0.012,593 0.01,594 0.007,595 0.423,596 0.17,597 1,598 0.855,599 157.332,600 -0.121,601 0.017,602 0.007,603 0.035,604 -0.153,605 0.053,606 0.109,607 0.181,608 0.066,609 0.074,610 0.218,611 0.055,612 -0.099,613 -0.13,614 -0.054,615 -0.115,616 -0.034,617 -0.079,618 0.011,619 0.007,620 -0.17,621 -0.102,622 0.031,623 -0.161,624 -0.049,625 -0.17,626 -0.09,627 -0.176,628 -0.059,629 -0.147,630 0.023,631 0.03,632 0.066,633 0.076,634 -0.029,635 0.074,636 -0.085,637 -0.203,638 -0.046,639 -0.102,640 -0.068,641 -0.077,642 -0.067,643 0.204,644 -0.1,645 0.12,646 -0.133,647 0.032,648 2.67,649 4.25,650 0.6,651 31.796,652 1.01,653 1.129,654 2.906,655 8.444,656 0.657,657 3.497,658 3.784,659 4.007,660 4.205,661 4.382,662 4.344,663 4.344,664 4.382,665 4.477,666 4.489,667 7.739,668 0.634,669 408.5,670 3.497,671 5.017,672 5.844,673 6.698,674 7.541,675 8.398,676 9.245,677 10.103,678 10.953,679 11.81,680 7.4,684 2,690 2,695 8,696 2,700 8,702 18,709 1,711 2,716 2,718 54,719 19,720 2,721 32,723 56,724 22,725 16,726 5,727 7,728 1,729 3,730 3,739 3,741 17,742 5,744 1,748 1,751 1,754 1,757 24,758 8,759 5,760 8,764 4,769 1,770 4,776 1,781 3,800 1,802 3,806 1,810 30,811 2,815 1,816 4,818 2,829 7.4,831 1,832 1,834 2,836 16,837 9.683,838 6.778,839 2.961,840 3.338,841 1.456,842 0.95,843 7.358,844 10.665,845 3.761,846 4.337,847 4.862,848 5.367,849 5.858,850 5.888,851 6.046,852 6.295,853 6.63,854 6.878,855 1,856 45,857 11.032,859 4.582,860 7.933,861 20.611,863 16.241,865 2.433,866 73,868 1,869 1,870 223.651,871 126.826,872 99.365,874 89.828,877 126.826,878 313.479,879 99.365,880 10.883,881 12.196,882 132.128,883 114.08,884 54.276,885 4.227,886 211.88,888 223.651,889 226.192,890 89.828,893 200.109,894 113.37,897 23.142,898 169.478,899 33.571,901 223.651,902 189.193,903 126.826,906 223.651,907 40.562,908 86.264,910 189.193,911 223.651,912 189.193,913 126.826,915 0.573,916 0.334,917 0.177,918 0.094,919 18,920 9,921 0.161,922 9,924 1,925 4.173,926 248.41,928 18,929 147.207,933 21.715,934 10.165,935 5.773,937 189.193,938 14.208,939 8.012,943 4.617,945 108.478,946 539.671,947 42,951 11.25,954 -1.003,956 54.552,957 60.983,958 0.279,959 0.67,960 0.857,961 0.933,962 0.946,963 0.946,964 4.973,965 1.584,966 5.814,967 4.275,968 4.466,969 5.024,970 2.198,971 6.581,972 4.389,973 6.171,974 1.349,975 7.351,976 3.501,977 4.007,978 4.796,980 7.416,981 3.904,982 7.467,983 1.299,984 8.987,985 3.337,986 6.019,987 7.186,988 2.496,989 10.471,990 5.884,991 8.798,992 1,993 10.681,994 2.825,995 6.365,996 7.74,998 12.123,999 6.204,1000 10.158,1001 0.721,1002 12.413,1003 2.304,1004 7.843,1005 9.619,1006 3.016,1007 14.682,1008 7.66,1009 11.539,1010 0.426,1011 14.171,1012 1.439,1013 8.569,1014 10.546,1016 16.672,1017 8.36,1018 12.936,1019 0.306,1020 15.946,1021 0.981,1022 9.821,1023 12.192,1024 3.653,1025 19.048,1026 9.592,1027 2.98,1028 -0.219,1029 17.735,1030 0.594,1031 10.731,1032 13.313,1034 21.184,1035 10.476,1036 2.958,1037 9.738,1038 19.534,1039 -0.436,1040 11.884,1041 14.838,1042 4.342,1043 23.487,1044 11.609,1045 2.765,1046 9.444,1047 21.341,1048 3.975,1049 12.882,1050 16.065,1052 25.688,1053 12.582,1054 2.282,1055 8.479,1056 23.155,1057 3.928,1058 13.991,1059 17.523,1060 5.052,1061 27.963,1062 13.671,1063 2.101,1064 6.648,1065 24.973,1066 3.813,1067 15.032,1068 18.81,1070 30.194,1071 14.686,1072 2.006,1073 5.821,1074 26.795,1075 2.883,1076 16.123,1077 20.23,1078 5.77,1079 32.457,1080 15.756,1081 1.599,1082 5.327,1083 28.621,1084 2.746,1085 17.184,1086 21.551,1088 34.703,1089 16.793,1090 12192,1091 21563,1092 20.978,1093 35.455,1094 47.034,1095 48.165,1096 48.58,1097 46.741,1098 46.754,1099 61.298,1100 7.673,1101 129.424,1102 44.815,1103 5.234,1104 5.618,1105 6.108,1106 5.025,1107 4.98,1108 6.975,1109 2.873,1110 16.193,1111 4.911,1112 16.682,1113 1.47,1114 1.505,1115 1.518,1116 1.461,1117 1.461,1118 1.916,1119 0.24,1120 4.044,1121 1.4,1122 4.008,1123 4.037,1124 3.954,1125 3.93,1126 7.475,1127 3.931,1128 3.919,1129 3.935,1130 3.872,1131 3.84,1132 6.351,1133 3.843,1134 3.818,1135 3.868,1136 3.774,1137 3.666,1138 5.291,1139 3.686,1140 3.544,1141 3.597,1142 3.4,1143 3.386,1144 4.979,1145 3.38,1146 3.279,1147 3.309,1148 3.225,1149 3.025,1150 4.851,1151 3.066,1152 3.243,1153 3.289,1154 3.086,1155 3.009,1156 4.804,1157 3.021,1158 3.206,1159 3.267,1160 3.065,1161 2.963,1162 4.448,1163 2.974,1164 3.011,1165 3.13,1166 2.85,1167 2.776,1168 4.394,1169 2.771,1170 0.135,1171 0.113,1172 0.2,1173 0.124,1174 0.093,1175 4.331,1176 0.124,1177 3.618,1178 0.045,1179 6.403,1180 0.304,1181 3.956,1182 0.091,1183 2.98,1184 3.975,1185 1.437,1186 9.738,1187 2.911,1188 1.963,1189 1.94,1190 2.073,1191 2.063,1192 1.312,1193 2.064,1194 1.891,1195 1.874,1196 1.991,1197 1.996,1198 1.131,1199 1.992,1200 1.754,1201 1.708,1202 1.874,1203 1.933,1204 1.058,1205 1.917,1206 1.53,1207 1.476,1208 1.75,1209 1.727,1210 0.856,1211 1.742,1212 1.191,1213 1.127,1214 1.565,1215 1.502,1216 0.584,1217 1.523,1218 1.161,1219 1.116,1220 1.406,1221 1.429,1222 0.484,1223 1.426,1224 1.12,1225 1.086,1226 1.268,1227 1.426,1228 0.373,1229 1.36,1230 0.951,1231 0.889,1232 1.246,1233 1.3,1234 0.228,1235 1.3,1236 4.174,1238 5.468,1240 6.956,1242 8.534,1244 10.158,1246 1.62,1250 11.521,1251 9.219,1252 2.419,1254 11.136,1262 34.213,1263 86.617,1264 208.304,1265 266.358,1266 290.009,1267 294.009,1268 294.009,1269 62.585,1270 7.326,1271 133.58,1272 133.58,1273 18,1274 12.364,1275 4.322,1276 3.459,1277 55.517,1278 140,1279 122,1280 0.189,1281 213.51,1282 372.14,1283 512.724,1284 16450,1286 21.51,1287 0.717,1288 0.556,1289 21.51,1290 16.668,1291 14.474,1292 0.452,1293 0.295,1294 9.299,1295 13.839,1296 9.079,1297 7.559,1298 14.474,1299 9.454,1300 12.736,1301 0.296,1302 0.156,1303 12.736,1304 6.715,1305 10.249,1306 0.19,1307 0.086,1308 10.249,1309 4.627,1310 8.291,1311 0.126,1312 0.047,1313 8.291,1314 3.129,1315 6.426,1316 0.081,1317 0.026,1318 6.426,1319 2.073,1320 0.305,1321 91.459,1322 0.218,1323 28.854,1324 0.495,1325 150,1326 487.271,1327 166.9,1328 466.137,1329 624.9,1330 434,1331 172,1332 448.638,1333 187.296,1334 455.028,1335 656.77,1336 425,1337 4.602}
{0 CHEMBL290806,1 1.65,2 12.321,3 2.748,4 7.551,5 106.417,6 7.926,7 0.6,8 3.983,9 4.091,10 3.577,11 3.475,12 5.24,13 3.49,14 4.442,15 4.584,16 3.911,17 3.825,18 5.753,19 3.819,20 4.623,21 4.772,22 3.965,23 3.954,24 5.82,25 3.93,26 4.772,27 4.966,28 3.847,29 3.939,30 5.939,31 3.878,32 4.746,33 4.977,34 3.76,35 3.894,36 5.781,37 3.81,38 4.635,39 4.857,40 3.807,41 3.833,42 5.707,43 3.772,44 4.64,45 4.836,46 3.761,47 3.781,48 5.851,49 3.726,50 4.536,51 4.765,52 3.547,53 3.705,54 5.584,55 3.618,56 0.134,57 0.694,58 8.978,59 4.056,60 19.354,61 4.806,62 0.426,63 1.029,64 16.242,65 6.853,66 52.395,67 8.257,68 0.308,69 1.213,70 19.127,71 7.915,72 32.671,73 9.789,74 0.576,75 1.287,76 25.42,77 9.022,78 67.952,79 11.4,80 0.592,81 1.227,82 26.528,83 9.155,84 66.65,85 12.486,86 0.441,87 1.147,88 22.627,89 8.135,90 48.036,91 11.331,92 0.799,93 1.097,94 23.271,95 7.666,96 73.354,97 10.008,98 0.415,99 1.048,100 20.529,101 6.906,102 47.039,103 9.602,104 30,105 41,106 0.279,107 0.649,108 0.796,109 0.865,110 0.872,111 0.872,112 3.374,113 0.845,114 -3.69,115 -3.66,116 -3.48,119 41.7,121 1,124 1,125 1,139 7,140 4,141 2,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 10,167 1,169 1,170 8,172 3,173 4,175 2,178 10,179 2,180 1,182 11,187 3,189 7,190 2,191 1,193 8,195 1,196 1,197 1,198 4,200 2,201 4,202 1,204 2,205 1,206 1,207 5,212 3,215 7,218 2,220 2,221 2,222 1,223 1,224 1,226 2,229 9,231 2,233 3,234 3,236 1,237 2,239 2,241 9,243 2,246 2,248 1,249 1,251 1,254 6,255 2,256 1,260 6,262 1,263 1,265 4,268 3,269 2,270 2,273 1294,274 18.679,275 18.679,276 18.679,277 18.679,278 18.679,279 16.258,280 24.419,281 10.929,282 19.156,283 14.71,284 14.71,285 14.71,286 14.71,287 14.71,288 11.047,289 31.556,290 5.103,291 15.387,292 3.935,293 1.751,294 0.883,295 0.474,296 0.432,297 0.432,298 4.055,300 1,301 1,302 1,303 724,304 3.317,307 301.342,314 1.893,315 33.074,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 62,327 345,328 4.331,329 3.576,330 6.251,331 3.952,332 2.981,333 3.976,334 1.437,335 9.445,336 2.894,337 4.172,338 3.267,339 5.984,340 3.786,341 2.791,342 3.814,343 1.151,344 8.48,345 2.776,346 4.154,347 2.984,348 5.929,349 3.714,350 2.76,351 3.754,352 0.86,353 8.228,354 2.627,355 3.717,356 2.867,357 5.361,358 3.38,359 2.41,360 3.051,361 0.68,362 6.956,363 2.341,364 3.533,365 2.534,366 5.177,367 3.134,368 2.187,369 2.859,371 6.439,372 2.051,373 3.436,374 2.324,375 4.963,376 3.018,377 2.095,378 2.742,380 5.821,381 1.925,382 2.928,383 1.975,384 4.42,385 2.544,386 1.595,387 2.074,389 4.273,390 1.509,391 2.787,392 1.918,393 4.074,394 2.296,395 1.346,396 1.889,398 3.497,399 1.273,400 2.773,401 1.502,402 3.798,403 2.289,404 1.292,405 1.794,407 3.003,408 1.268,409 2.5,410 1.25,411 3.414,412 2,413 1,414 1.5,415 2.275,416 1,417 2.019,418 1,419 3.25,420 1.709,421 0.816,422 0.947,423 1.78,424 0.719,425 1.744,426 0.986,427 3.1,428 1.445,429 0.53,430 0.621,431 1.14,432 0.478,433 1.53,434 0.615,435 2.77,436 1.23,437 0.314,438 0.369,439 0.626,440 0.287,441 1.042,442 0.462,443 2.444,444 0.697,445 -0.24,446 -0.288,448 -0.474,449 -0.222,450 0.934,451 0.173,452 2.359,453 0.584,454 -0.381,455 -0.469,457 -0.94,458 -0.366,459 12.933,460 0.462,461 0.715,462 0.026,463 39.5,464 1.411,465 21.5,466 0.768,467 18,468 0.643,469 19.417,470 0.693,471 30.267,472 0.631,473 30.874,474 1.103,475 8.236,476 0.294,477 5.22,478 0.186,479 0.152,481 0.348,485 0.952,486 1.157,487 0.784,488 1.002,489 0.934,490 0.868,491 0.855,492 0.845,493 0.789,494 0.912,495 0.487,496 0.86,497 1.005,498 1.278,499 1.028,500 1.259,501 0.761,502 1.166,503 1.206,504 1.015,505 1.206,506 1.139,507 1.018,508 1.171,509 0.863,510 0.929,511 0.952,512 0.952,513 0.817,514 0.971,515 0.606,516 1.01,517 0.78,518 1.015,519 0.46,520 0.951,521 1.044,522 0.963,523 1.078,524 0.94,525 0.834,526 1.018,527 0.827,528 0.989,529 1.096,530 1.049,531 0.669,532 1.102,533 6.5,534 0.14,535 3.333,536 1.375,537 1.649,538 0.882,539 0.527,540 0.434,541 0.332,542 0.207,543 10060,544 33168,545 2.013,546 41.7,547 2,548 12,550 1,551 5,555 1.708,556 1.867,557 3.571,558 2.502,559 1,560 1,564 79.201,565 1.65,566 3.834,567 4.701,568 5.111,569 5.153,570 5.153,571 3.071,572 4.084,573 4.777,574 3.754,575 1419.12,576 8.297,577 19423.3,579 1,581 1,582 268.078,583 1.47,584 4.727,585 0.217,586 0.006,587 0.081,588 0.033,589 0.047,590 0.027,591 0.015,592 0.014,593 0.013,594 0.008,595 0.461,596 0.17,597 1,598 0.887,599 142.751,600 -0.143,601 0.022,603 0.045,604 -0.192,605 0.063,606 0.09,607 0.234,608 0.082,609 0.123,610 0.211,611 0.096,612 -0.135,613 -0.207,614 -0.165,615 -0.23,616 -0.051,617 -0.206,618 -0.179,619 -0.032,620 -0.244,621 -0.152,622 -0.119,623 -0.203,624 -0.001,625 -0.003,626 0.042,627 0.052,628 -0.053,629 0.058,630 0.148,631 -0.036,632 0.179,633 -0.011,634 0.093,635 0.073,636 0.1,637 -0.009,638 -0.078,639 0.038,640 0.021,641 -0.053,642 -0.069,643 0.02,644 -0.138,645 -0.079,646 -0.064,647 -0.107,648 2.627,649 3.914,650 0.643,651 28.959,652 1.016,653 1.128,654 2.464,655 6.072,656 0.665,657 3.434,658 3.738,659 3.951,660 4.127,661 4.357,662 4.382,663 4.382,664 4.443,665 4.595,666 4.585,667 7.21,668 0.649,669 380.44,670 3.434,671 4.963,672 5.79,673 6.645,674 7.488,675 8.345,676 9.193,677 10.051,678 10.902,679 11.76,680 8.3,684 2,690 2,695 8,696 2,700 8,702 18,709 1,711 2,716 2,718 48,719 19,720 2,721 30,723 50,724 20,725 16,726 5,727 7,728 1,729 3,730 3,739 1,741 17,742 3,744 1,748 1,751 1,753 1,754 1,757 20,758 8,759 5,760 8,764 4,769 1,770 4,776 1,781 3,800 1,802 3,806 1,810 28,811 2,815 1,816 2,818 2,829 8.3,831 1,832 1,834 2,836 15,837 8.683,838 6.25,839 2.454,840 3.292,841 1.455,842 0.956,843 6.213,844 10.525,845 3.714,846 4.311,847 4.834,848 5.328,849 5.866,850 5.975,851 6.152,852 6.445,853 6.899,854 7.192,855 1,856 42,857 10.26,859 4.28,860 8,861 18.978,863 14.903,865 2.5,866 70,869 1,870 176.567,871 121.757,872 99.365,874 89.828,877 121.757,878 266.395,879 99.365,880 10.883,881 7.127,882 132.128,883 114.08,884 54.276,885 4.227,886 164.795,888 176.567,889 221.123,890 89.828,893 176.567,894 89.828,897 18.073,898 169.478,899 33.571,901 176.567,902 189.193,903 121.757,906 176.567,907 35.493,908 86.264,910 189.193,911 176.567,912 189.193,913 121.757,915 0.58,916 0.334,917 0.166,918 0.091,919 18,920 9,921 0.14,922 7,924 1,925 3.984,926 228.838,928 18,929 130.606,933 19.766,934 8.801,935 5.057,937 189.193,938 13.605,939 7.956,943 4.466,945 108.478,946 487.517,947 40,951 10.914,954 -0.96,956 48.785,957 54.152,958 0.295,959 0.686,960 0.842,961 0.915,962 0.923,963 0.923,964 4.931,965 1.346,966 5.771,967 4.273,968 4.419,969 4.997,970 2.321,971 6.532,972 4.339,973 6.141,974 1.292,975 7.309,976 3.497,977 4.007,978 4.796,980 7.338,981 3.904,982 7.443,983 1,984 8.938,985 3.003,986 5.979,987 7.17,988 2.678,989 10.35,990 5.839,991 8.775,992 0.816,993 10.619,994 2.275,995 6.33,996 7.71,998 11.918,999 6.167,1000 10.133,1001 0.53,1002 12.332,1003 1.78,1004 7.785,1005 9.587,1006 3.188,1007 14.441,1008 7.596,1009 11.508,1010 0.314,1011 14.066,1012 1.14,1013 8.489,1014 10.48,1016 16.341,1017 8.277,1018 12.897,1019 -0.24,1020 15.814,1021 0.626,1022 9.725,1023 12.128,1024 3.787,1025 18.678,1026 9.491,1027 2.981,1028 -0.381,1029 17.574,1030 -0.474,1031 10.604,1032 13.213,1034 20.736,1035 10.346,1036 2.791,1037 9.445,1038 19.342,1039 -0.94,1040 11.742,1041 14.739,1042 4.437,1043 22.998,1044 11.462,1045 2.76,1046 8.48,1047 21.118,1048 3.976,1049 12.71,1050 15.934,1052 25.135,1053 12.405,1054 2.41,1055 8.228,1056 22.898,1057 3.814,1058 13.804,1059 17.391,1060 5.117,1061 27.368,1062 13.477,1063 2.187,1064 6.956,1065 24.684,1066 3.754,1067 14.819,1068 18.651,1070 29.546,1071 14.466,1072 2.095,1073 6.439,1074 26.473,1075 3.051,1076 15.894,1077 20.068,1078 5.813,1079 31.77,1080 15.518,1081 1.595,1082 5.821,1083 28.266,1084 2.859,1085 16.933,1086 21.368,1088 33.969,1089 16.531,1090 9881,1091 18060,1092 19.592,1093 31.932,1094 44.584,1095 45.616,1096 45.914,1097 44.208,1098 44.236,1099 58.78,1100 8.255,1101 123.925,1102 42.294,1103 5.167,1104 5.576,1105 5.794,1106 5.021,1107 4.981,1108 6.976,1109 2.873,1110 15.9,1111 4.894,1112 15.985,1113 1.486,1114 1.521,1115 1.53,1116 1.474,1117 1.475,1118 1.959,1119 0.275,1120 4.131,1121 1.41,1122 4.003,1123 4.028,1124 3.954,1125 3.915,1126 7.475,1127 3.92,1128 3.916,1129 3.942,1130 3.864,1131 3.846,1132 6.351,1133 3.846,1134 3.8,1135 3.84,1136 3.761,1137 3.644,1138 5.291,1139 3.668,1140 3.393,1141 3.401,1142 3.33,1143 3.172,1144 4.98,1145 3.202,1146 3.244,1147 3.305,1148 3.121,1149 3.009,1150 4.909,1151 3.024,1152 3.208,1153 3.28,1154 3.072,1155 2.957,1156 4.708,1157 2.972,1158 3.019,1159 3.128,1160 2.86,1161 2.735,1162 4.515,1163 2.732,1164 2.982,1165 3.029,1166 2.821,1167 2.709,1168 4.446,1169 2.715,1170 0.144,1171 0.119,1172 0.208,1173 0.132,1174 0.099,1175 4.331,1176 0.133,1177 3.576,1178 0.048,1179 6.251,1180 0.315,1181 3.952,1182 0.096,1183 2.981,1184 3.976,1185 1.437,1186 9.445,1187 2.894,1188 1.944,1189 1.925,1190 2.042,1191 2.055,1192 1.211,1193 2.048,1194 1.904,1195 1.882,1196 2.004,1197 2,1198 1.146,1199 2.001,1200 1.727,1201 1.685,1202 1.815,1203 1.907,1204 0.868,1205 1.884,1206 1.283,1207 1.264,1208 1.571,1209 1.558,1210 0.624,1211 1.546,1212 1.18,1213 1.113,1214 1.457,1215 1.484,1216 0.569,1217 1.478,1218 1.154,1219 1.084,1220 1.39,1221 1.421,1222 0.4,1223 1.412,1224 0.909,1225 0.844,1226 1.235,1227 1.299,1228 0.218,1229 1.295,1230 0.886,1231 0.821,1232 1.181,1233 1.22,1234 0.116,1235 1.187,1236 4.111,1238 5.416,1240 6.911,1242 8.488,1244 10.106,1246 1.589,1250 11.464,1251 8.951,1252 0.762,1254 11.251,1262 31.159,1263 79.201,1264 184.02,1265 225.672,1266 245.323,1267 247.323,1268 247.323,1269 53.368,1270 7.233,1271 133.58,1272 133.58,1273 18,1274 12.313,1275 4.322,1276 3.459,1277 49.829,1278 121,1279 120,1280 0.199,1281 194.325,1282 337.54,1283 465.914,1284 13683,1286 20.096,1287 0.718,1288 0.545,1289 20.096,1290 15.254,1291 13.457,1292 0.449,1293 0.282,1294 8.293,1295 12.825,1296 8.084,1297 6.736,1298 13.457,1299 8.448,1300 12.101,1301 0.295,1302 0.148,1303 12.101,1304 6.08,1305 9.805,1306 0.192,1307 0.081,1308 9.805,1309 4.156,1310 7.594,1311 0.124,1312 0.044,1313 7.594,1314 2.669,1315 6.014,1316 0.078,1317 0.023,1318 6.014,1319 1.793,1320 0.319,1321 85.358,1322 0.226,1323 27.122,1324 0.53,1325 142,1326 479.271,1327 158.9,1328 458.302,1329 612.94,1330 426,1331 163,1332 439.638,1333 178.296,1334 446.978,1335 643.63,1336 416,1337 4.678}
{0 CHEMBL291239,1 1.592,2 9.19,3 2.612,4 6.82,5 87.374,6 8.262,7 0.739,8 3.693,9 3.822,10 3.401,11 3.312,12 4.876,13 3.263,14 4.144,15 4.307,16 3.759,17 3.689,18 5.305,19 3.604,20 4.305,21 4.475,22 3.836,23 3.804,24 5.374,25 3.703,26 4.393,27 4.59,28 3.774,29 3.767,30 5.521,31 3.628,32 4.438,33 4.702,34 3.453,35 3.643,36 5.413,37 3.486,38 4.207,39 4.459,40 3.404,41 3.474,42 5.172,43 3.335,44 4.075,45 4.317,46 3.162,47 3.379,48 5.015,49 3.229,50 3.988,51 4.252,52 3.07,53 3.194,54 4.968,55 3.068,56 0.037,57 0.587,58 6.928,59 3.012,60 9.739,61 3.692,62 0.167,63 0.909,64 14.238,65 5.796,66 19.158,67 6.976,68 0.079,69 1.048,70 16.701,71 6.504,72 11.985,73 7.747,74 0.202,75 1.122,76 20.211,77 7.442,78 28.529,79 9.06,80 0.274,81 1.079,82 24.075,83 7.121,84 37.391,85 8.741,86 0.168,87 0.85,88 17.029,89 5.487,90 23.119,91 7.576,92 0.097,93 0.728,94 15.037,95 5.506,96 17.466,97 7.121,98 0.097,99 0.656,100 12.894,101 4.459,102 18.193,103 6.285,104 10,105 32,106 0.287,107 0.655,108 0.767,109 0.825,110 0.839,111 0.839,112 3.103,113 0.976,114 -4.67,115 -4.58,116 -4.31,119 41.7,120 1,125 1,139 5,140 3,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 7,169 2,170 4,172 3,173 3,175 1,178 10,180 1,182 3,187 1,189 5,191 1,192 1,193 6,195 3,196 3,197 1,198 3,200 2,201 5,204 3,205 1,212 1,215 4,218 1,221 4,226 3,229 7,231 3,234 2,241 5,246 5,251 3,254 2,256 3,260 4,265 2,270 2,273 533,274 14.137,275 14.137,276 14.137,277 14.137,278 14.137,279 11.977,280 12.461,281 8.369,282 14.556,283 11.345,284 11.345,285 11.345,286 11.345,287 11.345,288 8.186,289 14.331,290 3.984,291 12.041,292 3.578,293 1.541,294 0.92,295 0.597,296 0.521,297 0.521,298 3.784,300 1,301 1,302 1,303 415,304 2.345,307 167.649,311 87.201,314 1.438,315 14.636,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 44.5,327 193,328 4.654,329 4.437,330 6.835,331 4.184,332 3.212,333 4.616,334 3.272,335 11.231,336 3.126,337 3.944,338 3.321,339 5.805,340 3.527,341 2.595,342 3.467,344 7.881,345 2.426,346 3.853,347 2.934,348 5.334,349 3.398,350 2.454,351 3.385,353 6.932,354 2.303,355 3.454,356 2.466,357 5.095,358 2.981,359 2.048,360 2.861,362 5.904,363 1.905,364 3.384,365 2.106,366 5.006,367 2.9,368 1.978,369 2.709,371 5.789,372 1.818,373 2.923,374 2.005,375 4.247,376 2.462,377 1.517,378 2.092,380 3.573,381 1.415,382 2.704,383 1.705,384 3.644,385 2.295,386 1.341,387 1.775,389 3.124,390 1.274,391 2.5,392 1.469,393 3.259,394 2,395 1,396 1.5,398 2.136,399 1,400 1.997,401 1,402 3.247,403 1.64,404 0.763,405 0.912,407 1.778,408 0.653,409 1.385,410 0.544,411 2.827,412 0.952,413 0.059,414 0.074,415 0.144,416 0.052,417 1.189,418 0.377,419 2.772,420 0.836,421 -0.116,422 -0.143,423 -0.302,424 -0.111,425 0.931,426 0.106,427 2.558,428 0.477,429 -0.436,430 -0.562,431 -1.126,432 -0.395,433 0.684,434 -0.294,435 2.081,436 0.279,437 -0.643,438 -0.787,439 -1.445,440 -0.575,441 0.5,442 -0.577,443 2,444 0.06,445 -0.86,446 -1.113,448 -2.111,449 -0.78,450 0.422,451 -1,452 1.555,454 -1,455 -1.5,457 -2.347,458 -1,459 10.333,460 0.492,461 0.524,462 0.025,463 31,464 1.476,465 17.5,466 0.833,467 13.5,468 0.643,469 14.293,470 0.681,471 21.467,472 0.596,473 19.476,474 0.927,475 5.9,476 0.281,477 4.248,478 0.202,479 0.126,481 0.339,485 1.108,486 1.063,487 0.756,488 0.778,489 1.3,490 0.78,491 0.462,492 0.821,493 0.952,494 0.973,495 0.428,496 0.857,497 1.047,498 1.215,499 1.106,500 1.123,501 0.892,502 1.033,503 0.67,504 1.194,505 1.239,506 1.362,507 0.61,508 1.264,509 1.607,510 0.849,511 1.334,512 0.984,513 1.477,514 0.989,515 0.9,516 0.957,517 0.836,518 0.949,519 1.009,520 0.979,521 0.822,522 0.98,523 1.025,524 1.06,525 0.907,526 1.06,527 0.786,528 1.044,529 0.668,530 0.88,531 0.804,532 0.951,533 4,534 0.062,535 2.222,536 1.688,537 1.4,538 0.583,539 0.264,540 0.271,541 0.143,542 0.086,543 4383,544 12223,545 2.074,546 41.7,547 3,548 7,550 1,551 4,555 1.63,556 1.938,557 3.154,558 1.921,559 1,560 1,562 1,564 57.301,565 1.592,566 3.629,567 4.25,568 4.572,569 4.649,570 4.649,571 2.684,572 4.107,573 4.363,574 3.292,575 691.379,576 7.467,577 7243.17,578 1,579 1,580 1,581 1,582 186.117,583 1.418,584 4.322,585 0.174,586 0.009,587 0.069,588 0.051,589 0.05,590 0.028,591 0.014,592 0.016,593 0.01,594 0.008,595 0.428,596 0.33,597 1,598 0.61,599 94.625,600 -0.192,601 0.053,602 0.037,603 0.13,604 -0.305,605 0.093,606 0.416,607 0.252,608 0.066,609 0.078,610 0.322,611 0.091,612 -0.139,613 -0.153,614 -0.072,615 -0.074,616 -0.118,617 -0.091,618 0.294,619 -0.164,620 -0.129,621 -0.288,622 0.305,623 -0.301,624 -0.404,625 0.149,626 -0.221,627 0.03,628 -0.327,629 -0.023,630 0.001,631 -0.038,632 0.108,633 0.007,634 -0.073,635 0.021,636 -0.049,637 -0.075,638 -0.067,639 -0.066,640 -0.087,641 -0.039,642 0.081,643 -0.175,644 0.148,645 -0.009,646 0.108,647 0.05,648 1.515,649 1.956,650 0.762,651 15.923,652 1,653 1.125,654 3.435,655 11.8,656 0.708,657 3.178,658 3.497,659 3.761,660 4.025,661 4.22,662 4.234,663 4.248,664 4.344,665 4.394,666 4.357,667 5.343,668 0.665,669 297.42,670 3.178,671 4.71,672 5.557,673 6.435,674 7.298,675 8.183,676 9.054,677 9.943,678 10.819,679 11.712,680 13.9,684 2,690 3,694 2,695 6,696 3,700 5,702 17,711 2,718 36,719 17,720 1,721 23,723 38,724 15,725 13,726 1,727 5,729 3,730 4,734 1,741 13,742 2,753 1,754 1,757 15,758 5,759 4,760 6,761 1,764 5,769 0.667,775 1,776 1,781 3,785 1,802 2,803 1,804 1,806 1,810 21,811 2,816 1,819 1,836 10.833,837 6.683,838 4.611,839 1.928,840 3.293,841 1.485,842 1.021,843 3.842,844 10.086,845 3.481,846 4.143,847 4.766,848 5.383,849 5.953,850 6.196,851 6.51,852 6.888,853 7.254,854 7.314,855 1,856 33,857 7.687,859 3.208,860 7.69,861 14.659,863 11.817,865 2.19,866 46,870 129.482,871 114.81,872 116.151,876 32.22,877 82.591,878 129.482,879 116.151,880 8.825,881 0.9,882 113.176,883 62.128,884 21.258,885 4.227,886 149.931,888 129.482,889 198.742,891 32.22,893 131.197,897 20.671,898 125.998,899 50.357,900 32.22,901 129.482,902 116.151,903 114.81,906 129.482,907 49.556,908 65.254,910 116.151,911 129.482,912 116.151,913 114.81,915 0.582,916 0.341,917 0.188,918 0.098,919 16,920 7,921 0.079,922 3,923 1,924 1.125,925 3.344,926 160.562,927 0.125,928 16,929 88.239,930 1,933 13.959,934 5.78,935 2.88,936 1.335,937 116.151,938 12.082,939 12.497,943 3.934,945 65.794,946 360.443,947 31.5,956 36.003,957 40.488,958 0.308,959 0.702,960 0.822,961 0.884,962 0.899,963 0.899,964 4.694,965 1,966 5.541,967 3.124,968 4.174,969 4.828,970 3.11,971 6.351,972 4.063,973 5.923,974 0.763,975 7.099,976 2.136,977 3.761,978 4.691,980 7.261,981 3.619,982 7.241,983 0.059,984 8.76,985 1.778,986 5.759,987 7.122,988 5.44,989 10.388,990 5.56,991 8.598,992 -0.116,993 10.483,994 0.144,995 6.155,996 7.814,998 12.162,999 5.943,1000 9.987,1001 -0.436,1002 12.248,1003 -0.302,1004 7.638,1005 9.724,1006 7.807,1007 14.828,1008 7.382,1009 11.4,1010 -0.643,1011 14.042,1012 -1.126,1013 8.429,1014 10.836,1016 16.976,1017 8.166,1018 12.834,1019 -0.86,1020 15.86,1021 -1.445,1022 9.704,1023 12.524,1024 10.177,1025 19.486,1026 9.408,1027 3.212,1028 -1,1029 17.697,1030 -2.111,1031 10.691,1032 13.852,1034 21.793,1035 10.385,1036 2.595,1037 11.231,1038 19.548,1039 -2.347,1040 11.885,1041 15.444,1042 12.548,1043 24.245,1044 11.553,1045 2.454,1046 7.881,1047 21.412,1048 4.616,1049 12.965,1050 16.879,1052 26.619,1053 12.618,1054 2.048,1055 6.932,1056 23.287,1057 3.467,1058 14.132,1059 18.431,1060 14.919,1061 29.05,1062 13.762,1063 1.978,1064 5.904,1065 25.17,1066 3.385,1067 15.255,1068 19.916,1070 31.449,1071 14.866,1072 1.517,1073 5.789,1074 27.059,1075 2.861,1076 16.415,1077 21.453,1078 17.29,1079 33.872,1080 16.003,1081 1.341,1082 3.573,1083 28.955,1084 2.709,1085 17.559,1086 22.962,1088 36.283,1089 17.126,1090 4258,1091 7228,1092 15.315,1093 25.483,1094 34.207,1095 37.019,1096 34.947,1097 33.897,1098 33.934,1099 46.781,1100 6.545,1101 96.984,1102 31.945,1103 5.479,1104 6.437,1105 6.637,1106 5.285,1107 5.212,1108 7.616,1109 6.545,1110 18.466,1111 5.126,1112 9.453,1113 1.487,1114 1.61,1115 1.519,1116 1.474,1117 1.475,1118 2.034,1119 0.285,1120 4.217,1121 1.389,1122 4.066,1123 4.105,1124 4.092,1125 3.971,1126 5.321,1127 3.976,1128 3.872,1129 3.899,1130 3.942,1131 3.834,1132 4.981,1133 3.813,1134 3.532,1135 3.595,1136 3.541,1137 3.386,1138 4.808,1139 3.383,1140 3.183,1141 3.276,1142 3.29,1143 3.055,1144 4.737,1145 2.997,1146 3.075,1147 3.154,1148 3.049,1149 2.907,1150 4.189,1151 2.9,1152 3.023,1153 3.14,1154 2.815,1155 2.735,1156 4.023,1157 2.722,1158 2.854,1159 2.925,1160 2.687,1161 2.705,1162 3.756,1163 2.715,1164 2.773,1165 2.84,1166 2.662,1167 2.618,1168 3.674,1169 2.619,1170 0.202,1171 0.193,1172 0.297,1173 0.182,1174 0.14,1175 4.654,1176 0.201,1177 4.437,1178 0.142,1179 6.835,1180 0.488,1181 4.184,1182 0.136,1183 3.212,1184 4.616,1185 3.272,1186 11.231,1187 3.126,1188 1.995,1189 1.967,1190 2.048,1191 2.124,1192 1.23,1193 2.104,1194 1.872,1195 1.848,1196 1.981,1197 1.941,1198 1.062,1199 1.966,1200 1.468,1201 1.415,1202 1.607,1203 1.68,1204 0.735,1205 1.673,1206 1.174,1207 1.095,1208 1.488,1209 1.417,1210 0.559,1211 1.446,1212 1.009,1213 0.948,1214 1.263,1215 1.34,1216 0.218,1217 1.341,1218 0.946,1219 0.826,1220 1.2,1221 1.235,1222 0.213,1223 1.263,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1228 0.105,1229 1.107,1230 0.769,1231 0.7,1232 1.032,1233 0.953,1235 0.991,1236 3.85,1238 5.165,1240 6.688,1242 8.314,1244 9.993,1246 2.015,1250 11.557,1252 0.822,1255 1.759,1262 23.928,1263 57.301,1264 130.633,1265 152.998,1266 164.608,1267 167.362,1268 167.362,1269 25.711,1270 6.793,1271 90.71,1272 116.01,1273 18,1274 12.242,1275 4.17,1276 3.248,1277 32.26,1278 67,1279 66,1280 0.241,1281 154.159,1282 250.67,1283 367.907,1284 7399,1286 14.82,1287 0.706,1288 0.59,1289 15.173,1290 12.392,1291 10.148,1292 0.441,1293 0.325,1294 6.52,1295 9.401,1296 6.222,1297 5.197,1298 10.602,1299 7.485,1300 9.169,1301 0.287,1302 0.179,1303 9.747,1304 5.725,1305 7.61,1306 0.181,1307 0.103,1308 8.287,1309 4.333,1310 6.623,1311 0.12,1312 0.057,1313 7.34,1314 3.119,1315 4.949,1316 0.074,1317 0.031,1318 5.603,1319 2.06,1320 0.373,1321 67.276,1322 0.256,1323 20.797,1324 0.672,1325 110,1326 296.42,1327 140.442,1328 320.054,1329 445.27,1330 300,1331 129,1332 322.846,1333 155.033,1334 344.293,1335 502.11,1336 323,1337 6.367}
{0 CHEMBL291540,1 1.493,2 8.667,3 2.72,4 7.397,5 85.989,6 6.937,7 0.522,8 3.808,9 3.946,10 3.311,11 3.322,12 4.9,13 3.295,14 4.339,15 4.527,16 3.737,17 3.731,18 5.39,19 3.691,20 4.567,21 4.737,22 3.712,23 3.886,24 5.589,25 3.808,26 4.741,27 5.016,28 3.553,29 3.882,30 5.608,31 3.737,32 4.489,33 4.712,34 3.421,35 3.775,36 5.405,37 3.631,38 4.611,39 4.907,40 3.265,41 3.676,42 5.41,43 3.499,44 4.382,45 4.68,46 3.232,47 3.441,48 5.216,49 3.301,50 4.239,51 4.526,52 3.083,53 3.224,54 5.264,55 3.12,56 0.048,57 0.621,58 9.305,59 3.573,60 11.37,61 5.076,62 0.172,63 0.964,64 16.708,65 6.598,66 23.279,67 9.089,68 0.219,69 1.156,70 21.285,71 7.628,72 27.28,73 10.633,74 0.332,75 1.223,76 26.845,77 9.203,78 41.273,79 13.643,80 0.097,81 1.06,82 19.477,83 7.579,84 23.151,85 11.158,86 0.218,87 1.036,88 23.675,89 7.856,90 31.383,91 12.109,92 0.111,93 0.834,94 18.699,95 6.172,96 20.81,97 9.665,98 0.388,99 0.723,100 16.823,101 3.892,102 40.153,103 6.648,104 26,105 35,106 0.266,107 0.62,108 0.788,109 0.814,110 0.823,111 0.823,112 3.104,113 0.916,114 -4.26,115 -4.2,116 -3.97,119 39,120 3,121 2,129 1,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 7,172 3,173 3,175 1,178 12,180 1,182 5,187 1,189 12,191 1,193 3,195 1,196 1,197 1,198 2,200 2,201 11,204 2,205 1,207 5,212 3,215 8,218 3,221 5,226 3,229 2,231 3,234 4,239 4,241 2,243 4,245 2,248 1,249 1,251 2,256 2,260 4,265 4,270 4,273 515,274 13.411,275 13.411,276 13.411,277 13.411,278 13.411,279 11.806,280 20.925,281 7.552,282 13.705,283 11.365,284 11.365,285 11.365,286 11.365,287 11.365,288 8.975,289 30.749,290 3.645,291 11.876,292 3.864,293 1.875,294 0.933,295 0.787,296 0.738,297 0.738,298 3.774,300 1,301 1,302 1,303 389,304 2.739,306 45.409,307 116.321,310 80.438,314 1.238,315 17.162,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 45,327 182,328 4.546,329 3.693,330 6.914,331 4.316,332 3.365,333 4.142,334 0.86,335 11.683,336 3.2,337 4.245,338 3.134,339 6.248,340 3.876,341 2.906,342 3.878,343 0.68,344 9.325,345 2.823,346 4.005,347 2.912,348 6.081,349 3.721,350 2.751,351 3.181,353 8.795,354 2.661,355 3.555,356 2.487,357 5.276,358 3.195,359 2.24,360 2.854,362 6.673,363 2.139,364 3.344,365 2.193,366 5.044,367 2.932,368 1.984,369 2.633,371 5.709,372 1.888,373 3.219,374 2.132,375 4.92,376 2.88,377 1.886,378 2.442,380 5.631,381 1.854,382 2.821,383 1.579,384 4.152,385 2.349,386 1.415,387 1.95,389 3.673,390 1.317,391 1.932,392 1.362,393 3.944,394 1.724,395 0.806,396 0.875,398 2.369,399 0.731,400 1.55,401 0.608,402 3.13,403 1.267,404 0.325,405 0.384,407 0.8,408 0.305,409 1.08,410 0.007,411 2.809,412 0.782,413 -0.211,414 -0.256,415 -0.604,416 -0.209,417 0.812,418 -0.183,419 2.599,420 0.498,421 -0.473,422 -0.573,423 -1.24,424 -0.455,425 0.762,426 -0.314,427 2.569,428 0.391,429 -0.516,430 -0.621,431 -1.278,432 -0.471,433 0.422,434 -0.354,435 2.359,436 0.253,437 -0.698,438 -0.766,439 -2.201,440 -0.661,441 0.299,442 -0.782,443 2.108,445 -1,446 -1,448 -2.988,449 -0.954,450 0.042,451 -1,452 2,453 -0.04,454 -1,455 -1.236,457 -3,458 -1,459 9.933,460 0.473,461 0.834,462 0.04,463 27,464 1.286,465 13.5,466 0.643,467 13.5,468 0.643,469 17.911,470 0.853,471 23.067,472 0.563,473 17.35,474 0.826,475 4.988,476 0.238,477 4.851,478 0.231,479 0.232,480 0.05,481 0.352,485 1.031,486 1.222,487 0.888,488 1.053,489 1.301,490 0.959,491 0.722,492 0.854,493 0.65,494 0.923,495 0.411,496 0.807,497 1.701,498 1.274,499 1.322,500 1.283,501 1.159,502 1.28,503 0.95,504 0.778,505 0.958,506 0.876,507 0.81,508 0.92,509 0.604,510 1.317,511 1.189,512 1.415,513 0.803,514 1.383,515 0.775,516 0.955,517 0.946,518 0.984,519 0.873,520 0.988,521 0.53,522 1.149,523 0.668,524 0.992,525 0.519,526 0.871,527 1.326,528 0.772,529 1.109,530 0.721,531 1.581,532 0.84,533 7,534 0.078,535 2.667,536 2.354,537 1.578,538 0.587,539 0.507,540 0.336,541 0.295,542 0.096,543 4146,544 10028,545 2.006,546 48.8,547 5,548 2,550 1,551 4,553 8,555 1.631,556 1.813,557 3.096,558 1.874,559 1,560 1,562 1,564 61.221,565 1.493,566 3.483,567 4.424,568 4.571,569 4.619,570 4.619,571 2.498,572 4.071,573 4.367,574 3.219,575 675.922,576 7.476,577 7027.88,578 1,579 1,581 1,582 219.66,583 1.761,584 4.278,585 0.304,586 0.019,587 0.076,588 0.074,589 0.058,590 0.026,591 0.027,592 0.018,593 0.02,594 0.009,595 0.63,596 0.33,597 1,598 0.702,599 94.016,600 -0.107,601 0.028,602 0.03,603 0.053,604 -0.271,605 0.066,606 0.279,607 0.248,608 0.299,609 0.155,610 0.382,611 0.217,612 -0.31,613 -0.182,614 -0.353,615 -0.226,616 -0.241,617 -0.292,618 -0.032,619 0.149,620 0.014,621 0.113,622 0.056,623 0.072,624 -0.06,625 -0.269,626 -0.287,627 -0.349,628 -0.074,629 -0.349,630 -0.021,631 -0.066,632 0.018,633 -0.013,634 -0.062,635 0.005,636 0.173,637 -0.277,638 0.298,639 -0.016,640 0.246,641 0.13,642 0.1,643 0.219,644 -0.056,645 0.108,646 -0.136,647 0.029,648 1.462,649 2.504,650 0.714,651 14.358,652 0.995,653 1.135,654 3.03,655 9.18,656 0.648,657 3.178,658 3.584,659 3.784,660 4.094,661 4.304,662 4.304,663 4.369,664 4.522,665 4.533,666 4.454,667 5.148,668 0.61,669 284.4,670 3.178,671 4.762,672 5.609,673 6.526,674 7.394,675 8.309,676 9.188,677 10.1,678 10.985,679 11.896,680 9.8,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,718 41,719 12,720 1,721 23,723 43,724 16,725 10,726 4,727 2,729 3,730 4,734 3,736 1,737 1,739 2,741 10,742 6,743 1,753 1,754 1,757 20,758 5,759 4,760 5,764 4,769 0.667,770 1,776 1,780 1,781 2,784 1,802 2,806 3,810 21,811 2,816 2,818 1,822 1,829 2.4,834 1,836 11.583,837 8.233,838 4.333,839 2.321,840 2.286,841 1.334,842 0.977,843 3.289,844 9.121,845 3.401,846 4.06,847 4.559,848 5.136,849 5.651,850 5.811,851 6.048,852 6.468,853 6.716,854 6.943,855 0.833,856 32,857 7.727,859 3.277,860 7.663,861 14.881,863 12.396,865 2.163,866 45.417,867 0.001,869 1,870 188.338,871 81.757,872 99.365,874 11,877 81.757,878 199.338,879 99.365,880 26.476,881 5.069,882 84.747,883 45.342,884 38.033,885 4.227,886 176.567,888 188.338,889 181.123,890 11,893 94.169,894 105.169,897 42.491,898 105.061,899 33.571,901 188.338,902 110.365,903 81.757,906 188.338,907 27.282,908 54.476,910 110.365,911 188.338,912 110.365,913 81.757,915 0.609,916 0.334,917 0.18,918 0.103,919 19,920 9,921 0.047,922 2,923 1,924 1.133,925 3.236,926 164.954,927 0.133,928 15,929 90.239,933 14.146,934 4.882,935 2.812,937 110.365,938 6.017,939 8.024,943 6.154,945 65.794,946 380.46,947 29,956 40.803,957 46.524,958 0.279,959 0.65,960 0.826,961 0.853,962 0.862,963 0.862,964 4.691,965 0.806,966 5.68,967 3.673,968 4.263,969 4.745,970 1.225,971 6.555,972 4.181,973 5.955,974 0.325,975 7.288,976 2.369,977 4.205,978 4.783,980 7.735,981 4.085,982 7.306,983 -0.211,984 8.995,985 0.8,986 5.989,987 6.965,988 0.925,989 10.726,990 5.828,991 8.683,992 -0.473,993 10.757,994 -0.604,995 6.635,996 7.67,998 12.646,999 6.424,1000 10.082,1001 -0.516,1002 12.553,1003 -1.24,1004 8.012,1005 9.439,1006 0.697,1007 15.244,1008 7.765,1009 11.498,1010 -0.698,1011 14.372,1012 -1.278,1013 8.96,1014 10.464,1016 17.469,1017 8.658,1018 12.926,1019 -1,1020 16.209,1021 -2.201,1022 10.2,1023 12.054,1024 0.525,1025 19.948,1026 9.858,1027 3.365,1028 -1,1029 18.059,1030 -2.988,1031 11.281,1032 13.25,1034 22.301,1035 10.883,1036 2.906,1037 11.683,1038 19.92,1039 -3,1040 12.478,1041 14.752,1042 0.395,1043 24.748,1044 12.035,1045 2.751,1046 9.325,1047 21.791,1048 4.142,1049 13.62,1050 16.041,1052 27.155,1053 13.121,1054 2.24,1055 8.795,1056 23.669,1057 3.878,1058 14.807,1059 17.497,1060 0.298,1061 29.598,1062 14.26,1063 1.984,1064 6.673,1065 25.554,1066 3.181,1067 15.977,1068 18.838,1070 32.029,1071 15.375,1072 1.886,1073 5.709,1074 27.444,1075 2.854,1076 17.166,1077 20.27,1078 0.224,1079 34.475,1080 16.513,1081 1.415,1082 5.631,1083 29.339,1084 2.633,1085 18.351,1086 21.64,1088 36.918,1089 17.644,1090 4093,1091 6471,1092 14.622,1093 26.569,1094 35.739,1095 36.101,1096 36.639,1097 35.305,1098 35.359,1099 44.677,1100 3.08,1101 109.316,1102 33.839,1103 5.385,1104 5.693,1105 6.218,1106 5.386,1107 5.365,1108 7.142,1109 1.72,1110 18.708,1111 5.2,1112 12.439,1113 1.554,1114 1.57,1115 1.593,1116 1.535,1117 1.537,1118 1.942,1119 0.134,1120 4.753,1121 1.471,1122 4.049,1123 4.072,1124 3.998,1125 3.974,1126 5.291,1127 3.976,1128 3.851,1129 3.902,1130 3.811,1131 3.691,1132 4.979,1133 3.713,1134 3.593,1135 3.648,1136 3.472,1137 3.468,1138 4.867,1139 3.462,1140 3.26,1141 3.341,1142 3.118,1143 3.097,1144 4.463,1145 3.091,1146 3.12,1147 3.217,1148 2.948,1149 2.941,1150 4.334,1151 2.931,1152 3.006,1153 3.122,1154 2.837,1155 2.716,1156 3.925,1157 2.734,1158 2.874,1159 3.009,1160 2.689,1161 2.618,1162 3.75,1163 2.6,1164 2.854,1165 2.96,1166 2.499,1167 2.577,1168 3.734,1169 2.57,1170 0.198,1171 0.161,1172 0.301,1173 0.188,1174 0.146,1175 4.546,1176 0.18,1177 3.693,1178 0.037,1179 6.914,1180 0.508,1181 4.316,1182 0.139,1183 3.365,1184 4.142,1185 0.86,1186 11.683,1187 3.2,1188 1.955,1189 1.932,1190 2.056,1191 2.046,1192 1.292,1193 2.047,1194 1.745,1195 1.701,1196 1.904,1197 1.917,1198 1.133,1199 1.902,1200 1.656,1201 1.609,1202 1.831,1203 1.84,1204 0.934,1205 1.857,1206 1.251,1207 1.175,1208 1.557,1209 1.476,1210 0.644,1211 1.505,1212 1.138,1213 1.07,1214 1.417,1215 1.384,1216 0.49,1217 1.398,1218 0.934,1219 0.823,1220 1.403,1221 1.296,1222 0.469,1223 1.308,1224 0.929,1225 0.804,1226 1.253,1227 1.239,1228 0.241,1229 1.302,1230 0.807,1231 0.695,1232 1.166,1233 1.123,1235 1.148,1236 3.85,1238 5.231,1239 2.398,1240 6.781,1241 4.844,1242 8.412,1243 7.034,1244 10.085,1246 6.294,1250 11.437,1252 1.616,1254 6.004,1258 -0.13,1262 25.015,1263 61.221,1264 142.799,1265 181.395,1266 187.395,1267 189.395,1268 189.395,1269 29.977,1270 6.835,1271 87.05,1272 87.05,1273 17,1274 12.415,1275 3.7,1276 2.807,1277 32.232,1278 65,1279 64,1280 0.25,1281 155.677,1282 263.43,1283 371.611,1284 7354,1286 15.198,1287 0.724,1288 0.6,1289 15.198,1290 12.604,1291 9.838,1292 0.428,1293 0.305,1294 6.944,1295 9.51,1296 6.607,1297 5.54,1298 9.838,1299 7.022,1300 10.202,1301 0.291,1302 0.179,1303 10.202,1304 6.255,1305 7.526,1306 0.175,1307 0.086,1308 7.526,1309 3.717,1310 6.597,1311 0.112,1312 0.049,1313 6.597,1314 2.869,1315 5.287,1316 0.072,1317 0.027,1318 5.287,1319 1.954,1320 0.385,1321 61.23,1322 0.262,1323 20.554,1324 0.708,1325 116,1326 291.65,1327 126.922,1328 289.83,1329 404.53,1330 270,1331 136,1332 313.245,1333 145.98,1334 321.205,1335 465.67,1336 299,1337 4.432}
{0 CHEMBL292143,1 1.56,2 10.875,3 3.695,4 13.655,5 99.529,6 8.55,7 0.815,8 3.788,9 3.906,10 3.526,11 3.448,12 4.974,13 3.406,14 4.237,15 4.374,16 3.897,17 3.836,18 5.419,19 3.763,20 4.449,21 4.627,22 3.958,23 3.935,24 5.566,25 3.841,26 4.427,27 4.621,28 3.788,29 3.86,30 5.494,31 3.718,32 4.388,33 4.62,34 3.624,35 3.724,36 5.388,37 3.559,38 4.245,39 4.493,40 3.497,41 3.544,42 5.195,43 3.388,44 4.035,45 4.258,46 3.266,47 3.434,48 4.937,49 3.297,50 3.948,51 4.152,52 3.313,53 3.345,54 5.03,55 3.27,56 0.037,57 0.614,58 6.718,59 3.143,60 9.746,61 3.673,62 0.122,63 0.974,64 13.458,65 5.957,66 16.759,67 6.994,68 0.208,69 1.2,70 18.507,71 7.033,72 23.579,73 8.205,74 0.121,75 1.119,76 18.688,77 7.774,78 23.365,79 9.353,80 0.163,81 1.062,82 20.363,83 7.607,84 29.645,85 9.126,86 0.214,87 0.938,88 20.011,89 6.285,90 26.639,91 7.559,92 0.067,93 0.71,94 15.144,95 5.837,96 11.789,97 7.205,98 0.064,99 0.676,100 10.167,101 4.048,102 13.892,103 5.358,104 5,105 38,106 0.272,107 0.574,108 0.711,109 0.848,110 0.869,111 0.887,112 3.228,113 0.942,114 -4.94,115 -4.85,116 -4.55,119 46.2,125 1,139 9,140 2,141 1,143 3,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 2,172 3,173 3,178 14,181 2,182 3,184 1,185 1,189 13,193 1,195 1,196 1,197 1,198 2,200 2,201 7,204 2,205 1,207 3,209 1,210 1,212 2,215 5,218 2,221 4,226 1,229 5,231 1,234 2,241 4,246 6,251 3,254 4,256 3,260 5,265 2,268 3,270 2,273 738,274 16.394,275 16.394,276 16.394,277 16.394,278 16.394,279 13.791,280 11.604,281 9.649,282 16.812,283 13.359,284 13.359,285 13.359,286 13.359,287 13.359,288 9.461,289 12.011,290 4.63,291 14.07,292 3.725,293 1.995,294 1.212,295 0.43,296 0.308,297 0.205,298 3.932,300 1,301 1,302 1,303 581,304 2.449,307 236.935,311 201.134,314 1.563,315 15.977,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50.5,327 261,328 4.541,329 4.437,330 6.502,331 4.031,332 3.079,333 4.491,334 3.272,335 10.175,336 2.931,337 4.406,338 3.16,339 6.183,340 3.912,341 2.923,342 4.336,344 9.226,345 2.893,346 3.792,347 2.987,348 5.368,349 3.38,350 2.453,351 3.245,353 7.023,354 2.274,355 3.621,356 2.746,357 5.195,358 3.159,359 2.235,360 3.042,362 6.521,363 2.046,364 3.428,365 2.281,366 5.062,367 2.963,368 2.032,369 2.811,371 5.801,372 1.884,373 3.362,374 2.099,375 4.964,376 2.895,377 1.949,378 2.688,380 5.736,381 1.837,382 3.118,383 1.895,384 4.414,385 2.618,386 1.618,387 2.427,389 4.367,390 1.618,391 2.899,392 1.618,393 3.71,394 2.404,395 1.414,396 2.091,398 3.02,399 1.396,400 2.454,401 1.451,402 3.622,403 1.959,404 1.009,405 1.435,407 2.565,408 0.955,409 2.216,410 1.058,411 3.306,412 1.744,413 0.821,414 1.098,415 1.913,416 0.742,417 1.905,418 0.868,419 3.134,420 1.521,421 0.603,422 0.78,423 1.429,424 0.545,425 1.388,426 0.457,427 2.752,428 0.947,429 0.036,430 0.046,431 0.089,432 0.032,433 1.022,434 0.228,435 2.589,436 0.564,437 -0.377,438 -0.5,439 -0.946,440 -0.347,441 0.95,442 -0.293,443 2.466,444 0.462,445 -0.46,446 -0.593,448 -1.168,449 -0.421,450 0.882,451 -0.488,452 2.258,453 0.382,454 -0.618,455 -0.927,457 -1.596,458 -0.618,459 11.833,460 0.493,461 0.571,462 0.024,463 37,464 1.542,465 21.5,466 0.896,467 15.5,468 0.646,469 15.234,470 0.635,471 23.567,472 0.604,473 23.951,474 0.998,475 7.041,476 0.293,477 4.645,478 0.194,479 0.068,481 0.338,485 1.088,486 0.963,487 0.727,488 0.719,489 1.291,490 0.716,491 0.522,492 0.961,493 0.973,494 1.039,495 0.463,496 0.917,497 1.037,498 0.931,499 1.108,500 1.019,501 0.879,502 0.973,503 0.764,504 1.107,505 1.175,506 1.232,507 0.718,508 1.213,509 1.031,510 0.981,511 1.202,512 1.107,513 1.121,514 1.099,515 1.233,516 0.881,517 1.235,518 1.066,519 1.211,520 0.961,521 0.594,522 0.972,523 1.113,524 1.139,525 0.551,526 0.99,527 0.852,528 1.13,529 0.691,530 0.924,531 0.825,532 0.964,533 5,534 0.136,535 2.444,536 1.25,537 1.693,538 0.382,539 0.282,540 0.323,541 0.131,542 0.164,543 7239,544 19439,545 2.161,546 38.5,548 11,551 4,555 1.663,556 2.057,557 3.406,558 1.777,560 1,564 60.859,565 1.56,566 3.29,567 4.073,568 4.856,569 4.978,570 5.08,571 2.872,572 4.085,573 4.561,574 3.537,575 976.23,576 7.835,577 11634.8,578 1,579 1,581 1,582 206.131,583 1.281,584 4.532,585 0.185,586 0.009,587 0.064,588 0.033,589 0.056,590 0.016,591 0.014,592 0.016,593 0.006,594 0.009,595 0.408,596 0.17,597 1,598 0.49,599 115.244,600 -0.188,601 0.093,602 0.034,603 0.141,604 -0.322,605 0.105,606 0.327,607 0.07,608 -0.007,609 -0.044,610 0.261,611 -0.025,612 0.01,613 0.117,614 -0.086,615 -0.021,616 -0.031,617 -0.062,618 0.073,619 -0.142,620 -0.114,621 -0.182,622 0.124,623 -0.229,624 -0.061,625 -0.013,626 -0.05,627 -0.02,628 -0.076,629 -0.072,630 -0.14,631 0.115,632 0.02,633 0.067,634 -0.208,635 0.08,636 0.08,637 -0.081,638 -0.002,639 -0.034,640 0.099,641 0.085,642 0.033,643 -0.193,644 0.076,645 -0.07,646 0.095,647 -0.017,648 1.5,649 1.895,650 0.833,651 19.375,652 1,653 1.115,654 3.715,655 13.799,656 0.73,657 3.332,658 3.664,659 3.932,660 4.205,661 4.466,662 4.454,663 4.522,664 4.625,665 4.745,666 4.691,667 6.298,668 0.69,669 333.45,670 3.332,671 4.875,672 5.727,673 6.605,674 7.47,675 8.35,676 9.219,677 10.098,678 10.97,679 11.849,680 12.8,684 2,690 3,694 4,695 9,696 3,700 4,702 22,711 2,718 39,719 22,720 2,721 27,723 42,724 18,725 17,726 3,727 7,729 4,730 6,741 17,742 1,753 1,754 1,757 15,758 5,759 4,760 6,761 1,764 5,769 0.5,775 1,776 1,781 4,785 2,802 2,803 1,804 1,810 24,811 2,816 1,819 1,836 11.667,837 6.933,838 5.167,839 2.126,840 4.5,841 1.6,842 1.062,843 3.868,844 12.006,845 3.664,846 4.357,847 5.009,848 5.652,849 6.28,850 6.54,851 6.894,852 7.273,853 7.678,854 7.619,855 1,856 38,857 8.795,859 3.757,860 7.653,861 16.848,863 13.947,865 2.153,866 51.667,870 129.482,871 136.374,872 116.151,876 32.22,877 104.155,878 129.482,879 116.151,881 0.9,882 151.081,883 50.357,884 13.742,885 4.227,886 161.702,888 129.482,889 220.306,891 32.22,893 129.482,897 9.844,898 160.105,899 50.357,900 32.22,901 129.482,902 116.151,903 136.374,906 129.482,907 51.088,908 85.286,910 116.151,911 129.482,912 116.151,913 136.374,915 0.585,916 0.34,917 0.188,918 0.107,919 20,920 8,921 0.071,922 3,923 2,924 1.2,925 3.739,926 196.621,927 0.2,928 20,929 110.039,930 1,933 15.034,934 6.174,935 3.111,936 3.746,937 116.151,938 18.629,939 12.685,943 2.619,945 65.794,946 382.007,947 38,956 39.003,957 43.488,958 0.295,959 0.623,960 0.771,961 0.919,962 0.942,963 0.961,964 4.879,965 1.414,966 5.707,967 4.367,968 4.344,969 5.043,970 3.11,971 6.5,972 4.247,973 6.114,974 1.009,975 7.251,976 3.02,977 3.892,978 4.913,980 7.322,981 3.753,982 7.434,983 0.821,984 8.889,985 2.565,986 5.922,987 7.371,988 5.44,989 10.411,990 5.744,991 8.791,992 0.603,993 10.583,994 1.913,995 6.256,996 8.055,998 12.048,999 6.04,1000 10.177,1001 0.036,1002 12.313,1003 1.429,1004 7.76,1005 9.981,1006 7.807,1007 14.648,1008 7.516,1009 11.584,1010 -0.377,1011 14.068,1012 0.089,1013 8.483,1014 11.074,1016 16.648,1017 8.206,1018 13.009,1019 -0.46,1020 15.843,1021 -0.946,1022 9.759,1023 12.762,1024 10.177,1025 19.064,1026 9.455,1027 3.079,1028 -0.618,1029 17.631,1030 -1.168,1031 10.678,1032 14.062,1034 21.23,1035 10.344,1036 2.923,1037 10.175,1038 19.432,1039 -1.596,1040 11.854,1041 15.641,1042 12.548,1043 23.576,1044 11.491,1045 2.453,1046 9.226,1047 21.243,1048 4.491,1049 12.871,1050 17.042,1052 25.815,1053 12.475,1054 2.235,1055 7.023,1056 23.062,1057 4.336,1058 14.003,1059 18.57,1060 14.919,1061 28.134,1062 13.578,1063 2.032,1064 6.521,1065 24.887,1066 3.245,1067 15.068,1068 20.019,1070 30.408,1071 14.607,1072 1.949,1073 5.801,1074 26.719,1075 3.042,1076 16.184,1077 21.526,1078 17.29,1079 32.717,1080 15.691,1081 1.618,1082 5.736,1083 28.555,1084 2.811,1085 17.271,1086 22.996,1088 35.007,1089 16.741,1090 6715,1091 11145,1092 18.493,1093 28.483,1094 40.521,1095 43.553,1096 40.995,1097 40.31,1098 40.342,1099 56.978,1100 6.545,1101 115.729,1102 38.309,1103 5.365,1104 6.437,1105 6.189,1106 5.147,1107 5.079,1108 7.491,1109 6.545,1110 17.069,1111 4.931,1112 8.873,1113 1.501,1114 1.613,1115 1.518,1116 1.493,1117 1.494,1118 2.11,1119 0.242,1120 4.286,1121 1.419,1122 4.088,1123 4.114,1124 4.125,1125 4.055,1126 5.323,1127 4.042,1128 4.027,1129 4.062,1130 4,1131 3.91,1132 4.988,1133 3.928,1134 3.546,1135 3.595,1136 3.734,1137 3.502,1138 4.896,1139 3.451,1140 3.432,1141 3.48,1142 3.375,1143 3.299,1144 4.77,1145 3.309,1146 3.123,1147 3.23,1148 3.136,1149 3.022,1150 4.318,1151 2.985,1152 3.088,1153 3.155,1154 3.006,1155 2.918,1156 4.206,1157 2.904,1158 3.013,1159 3.073,1160 2.9,1161 2.802,1162 3.908,1163 2.829,1164 2.66,1165 2.747,1166 2.66,1167 2.578,1168 3.858,1169 2.559,1170 0.168,1171 0.164,1172 0.241,1173 0.149,1174 0.114,1175 4.541,1176 0.166,1177 4.437,1178 0.121,1179 6.502,1180 0.377,1181 4.031,1182 0.109,1183 3.079,1184 4.491,1185 3.272,1186 10.175,1187 2.931,1188 2.067,1189 2.051,1190 2.143,1191 2.12,1192 1.286,1193 2.13,1194 1.963,1195 1.929,1196 2.015,1197 2.104,1198 1.113,1199 2.084,1200 1.519,1201 1.49,1202 1.632,1203 1.663,1204 0.8,1205 1.668,1206 1.405,1207 1.353,1208 1.56,1209 1.554,1210 0.642,1211 1.575,1212 1.099,1213 1.051,1214 1.309,1215 1.383,1216 0.363,1217 1.364,1218 1.035,1219 0.976,1220 1.276,1221 1.259,1222 0.319,1223 1.303,1224 0.985,1225 0.885,1226 1.265,1227 1.182,1228 0.034,1229 1.216,1230 0.663,1231 0.618,1232 0.942,1233 0.919,1235 0.934,1236 4.007,1238 5.333,1240 6.862,1242 8.486,1244 10.159,1250 11.504,1252 0.748,1255 1.737,1262 26.928,1263 60.859,1264 128.317,1265 158.846,1266 189.376,1267 194.131,1268 198.131,1269 27.507,1270 7.506,1271 90.71,1272 116.01,1273 24,1274 12.387,1275 4.524,1276 3.585,1277 34.125,1278 93,1279 76,1280 0.181,1281 169.687,1282 274.03,1283 405.797,1284 19811,1286 16.518,1287 0.688,1288 0.568,1289 16.872,1290 13.624,1291 11.687,1292 0.433,1293 0.314,1294 7.514,1295 10.946,1296 7.25,1297 6.006,1298 12.141,1299 8.477,1300 10.718,1301 0.282,1302 0.171,1303 11.295,1304 6.484,1305 8.998,1306 0.18,1307 0.096,1308 9.675,1309 4.779,1310 7.738,1311 0.117,1312 0.052,1313 8.401,1314 3.44,1315 6.507,1316 0.076,1317 0.03,1318 7.238,1319 2.556,1320 0.289,1321 76.463,1322 0.233,1323 23.665,1324 0.482,1325 130,1326 338.42,1327 160.719,1328 363.943,1329 511.4,1330 342,1331 153,1332 377.198,1333 179.728,1334 399.703,1335 584.7,1336 377,1337 7.066}
{0 CHEMBL292212,1 1.739,2 9.455,3 3.383,4 11.441,5 89.976,6 9.859,7 0.708,8 3.668,9 3.795,10 3.455,11 3.242,12 4.915,13 3.243,14 4.111,15 4.258,16 3.867,17 3.615,18 5.393,19 3.593,20 4.34,21 4.522,22 3.951,23 3.714,24 5.589,25 3.668,26 4.294,27 4.485,28 3.761,29 3.616,30 5.493,31 3.535,32 4.255,33 4.474,34 3.702,35 3.522,36 5.414,37 3.414,38 4.155,39 4.406,40 3.435,41 3.365,42 5.259,43 3.259,44 3.932,45 4.158,46 3.441,47 3.27,48 5.034,49 3.18,50 3.757,51 3.932,52 3.404,53 3.19,54 4.974,55 3.107,56 0.119,57 0.556,58 3.963,59 2.28,60 13.595,61 2.492,62 0.217,63 0.825,64 7.679,65 4.141,66 19.366,67 4.96,68 0.418,69 0.934,70 16.059,71 5.196,72 34.66,73 5.947,74 0.365,75 0.848,76 16.948,77 5.485,78 35.433,79 6.518,80 0.399,81 0.79,82 20.776,83 5.463,84 42.999,85 6.521,86 0.399,87 0.69,88 17.186,89 4.938,90 38.971,91 6.233,92 0.257,93 0.547,94 13.194,95 4.16,96 24.605,97 5.268,98 0.188,99 0.473,100 10.032,101 3.422,102 19.218,103 4.066,104 17,105 34,106 0.318,107 0.663,108 0.792,109 0.886,110 0.897,111 0.897,112 3.146,113 0.895,114 -4.11,115 -4.06,116 -3.84,119 41.2,125 1,139 5,141 3,143 3,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 2,172 3,173 3,175 1,178 4,181 2,182 2,184 1,185 2,187 3,189 4,193 1,195 1,196 1,197 1,198 5,200 2,204 2,205 1,207 2,209 1,210 1,212 2,215 2,218 2,221 2,224 2,225 1,228 1,229 3,234 2,241 4,246 2,250 1,251 1,253 1,254 2,256 1,260 4,265 2,270 2,273 600,274 14.533,275 14.533,276 14.533,277 14.533,278 14.533,279 12.367,280 17.572,281 8.431,282 15.068,283 11.832,284 11.832,285 11.832,286 11.832,287 11.832,288 8.612,289 23.086,290 4.031,291 12.836,292 3.348,293 1.458,294 0.753,295 0.235,296 0.176,297 0.176,298 3.825,299 2,300 1,301 1,302 1,303 444,304 2.449,307 180.587,311 93.397,314 1.504,315 22.67,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 47.667,327 208,328 4.541,329 3.234,330 6.502,331 4.032,332 3.079,333 4.491,334 0.657,335 10.175,336 2.933,337 4.233,338 3.124,339 6.066,340 3.781,341 2.859,342 3.881,344 8.746,345 2.598,346 3.768,347 2.771,348 5.31,349 3.351,350 2.405,351 3.232,353 6.874,354 2.273,355 3.45,356 2.638,357 5.062,358 2.982,359 2.101,360 2.811,362 5.804,363 1.888,364 3.427,365 2.195,366 4.971,367 2.943,368 2.037,369 2.765,371 5.764,372 1.855,373 3.367,374 2.058,375 4.917,376 2.892,377 1.96,378 2.688,380 5.651,381 1.683,382 2.883,383 1.87,384 4.232,385 2.444,386 1.523,387 2.021,389 3.955,390 1.341,391 2.454,392 1.059,393 3.71,394 1.959,395 1.008,396 1.434,398 2.565,399 0.956,400 1.956,401 0.922,402 3.277,403 1.659,404 0.723,405 0.864,407 1.726,408 0.67,409 1.472,410 0.826,411 2.772,412 1.033,413 0.18,414 0.219,415 0.41,416 0.129,417 1.244,418 0.193,419 2.607,420 0.776,421 -0.056,422 -0.071,423 -0.134,424 -0.044,425 0.971,426 -0.082,427 2.477,428 0.48,429 -0.439,430 -0.568,431 -1.144,432 -0.395,433 0.731,434 -0.295,435 2.367,436 0.322,437 -0.59,438 -0.713,439 -1.598,440 -0.45,441 0.559,442 -0.444,443 2.206,444 0.132,445 -0.815,446 -1.07,448 -2.138,449 -0.643,450 0.417,451 -0.721,452 1.903,453 0.05,454 -0.901,455 -1.143,457 -2.407,458 -0.77,459 10.829,460 0.492,461 0.647,462 0.029,463 32.5,464 1.477,465 17.5,466 0.795,467 15,468 0.682,469 14.597,470 0.663,471 22.771,472 0.67,473 21.571,474 0.981,475 6.396,476 0.291,477 4.129,478 0.188,479 0.206,481 0.369,485 0.953,486 1.211,487 0.537,488 0.673,489 1.108,490 0.665,491 0.658,492 1.129,493 0.57,494 0.83,495 0.495,496 0.817,497 1.084,498 0.974,499 1.001,500 0.932,501 0.952,502 0.951,503 1.037,504 1.198,505 1.123,506 1.243,507 0.948,508 1.231,509 1.023,510 1.066,511 0.964,512 1.091,513 1.142,514 1.168,515 0.909,516 0.639,517 0.885,518 0.814,519 0.997,520 0.928,521 0.858,522 0.839,523 0.806,524 0.778,525 0.779,526 0.796,527 1.083,528 1.054,529 1.139,530 1.036,531 1.113,532 1.016,533 5.5,534 0.099,535 2.667,536 1.5,537 1.631,538 0.465,539 0.304,540 0.295,541 0.23,542 0.171,543 5068,544 18670,545 2.043,546 35.3,548 7,551 5,555 1.641,556 1.886,557 3.22,558 2.824,560 1,562 1,564 59.141,565 1.739,566 3.629,567 4.334,568 4.852,569 4.911,570 4.911,571 2.704,572 4.152,573 4.435,574 3.373,575 779.135,576 7.598,577 8630.78,578 1,579 1,580 1,581 1,582 172.974,583 1.495,584 4.376,585 0.229,586 0.009,587 0.078,588 0.044,589 0.06,590 0.021,591 0.016,592 0.016,593 0.013,594 0.011,595 0.497,596 0.33,597 1,598 0.65,599 101.653,600 -0.236,601 -0.024,602 -0.024,603 0.121,604 -0.333,605 0.103,606 0.108,607 -0.016,608 0.068,609 0.024,610 0.192,611 0.025,612 -0.093,613 0.079,614 -0.114,615 -0.028,616 -0.082,617 -0.071,618 -0.092,619 -0.217,620 -0.185,621 -0.291,622 -0.035,623 -0.285,624 -0.082,625 -0.124,626 -0.018,627 -0.115,628 -0.133,629 -0.171,630 0.019,631 0.285,632 0.019,633 0.169,634 -0.069,635 0.113,636 0.025,637 0.064,638 0.159,639 0.248,640 0.06,641 0.269,642 -0.11,643 -0.101,644 -0.061,645 -0.022,646 -0.109,647 -0.035,648 1.539,649 1.994,650 0.727,651 16.479,652 1.023,653 1.133,654 2.88,655 8.292,656 0.729,657 3.219,658 3.555,659 3.784,660 4.025,661 4.263,662 4.22,663 4.234,664 4.317,665 4.466,666 4.443,667 5.7,668 0.703,669 335.22,670 3.219,671 4.762,672 5.602,673 6.479,674 7.335,675 8.211,676 9.074,677 9.949,678 10.815,679 11.691,680 17.6,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,717 2,718 34,719 17,720 1,721 24,723 36,724 14,725 13,726 3,727 3,729 3,730 4,731 2,741 13,742 1,753 1,754 1,757 12,758 6,759 5,760 8,761 2,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,807 2,810 22,811 2,816 1,817 1,828 2,836 11.667,837 5.969,838 4.75,839 1.76,840 3.358,841 1.486,842 1.025,843 4.2,844 10.272,845 3.512,846 4.19,847 4.785,848 5.383,849 5.976,850 6.174,851 6.458,852 6.819,853 7.246,854 7.292,855 1,856 34,857 8.018,859 3.394,860 7.889,861 14.9,863 11.947,865 2.389,866 52.556,870 82.398,871 70.517,872 134.162,873 78.297,877 70.517,878 160.695,879 134.162,881 2.106,882 113.176,883 68.367,884 16.803,885 4.227,886 82.398,887 78.297,888 82.398,889 204.679,891 78.297,893 82.398,897 11.05,898 125.261,899 146.665,901 82.398,902 134.162,903 148.814,906 82.398,907 23.136,908 47.381,909 18.011,910 194.448,911 82.398,912 134.162,913 148.814,915 0.591,916 0.338,917 0.178,918 0.102,919 17,920 8,921 0.083,922 3,923 1,924 1.125,925 3.426,926 169.623,927 0.125,928 16,929 98.107,933 15.092,934 6.123,935 3.349,936 1.125,937 134.162,938 8.844,939 12.436,943 3.071,945 83.805,946 365.374,947 32.5,956 34.793,957 38.539,958 0.342,959 0.713,960 0.852,961 0.954,962 0.965,963 0.965,964 4.738,965 1.008,966 5.602,967 3.955,968 4.234,969 4.875,970 0.623,971 6.395,972 4.077,973 5.98,974 0.723,975 7.155,976 2.565,977 3.892,978 4.808,980 7.235,981 3.601,982 7.304,983 0.18,984 8.801,985 1.726,986 5.82,987 7.168,988 0.317,989 10.302,990 5.539,991 8.661,992 -0.056,993 10.499,994 0.41,995 6.217,996 7.861,998 11.928,999 5.816,1000 10.044,1001 -0.439,1002 12.23,1003 -0.134,1004 7.662,1005 9.736,1006 0.149,1007 14.529,1008 7.266,1009 11.446,1010 -0.59,1011 13.984,1012 -1.144,1013 8.417,1014 10.813,1016 16.518,1017 7.923,1018 12.865,1019 -0.815,1020 15.756,1021 -1.598,1022 9.662,1023 12.476,1024 0.067,1025 18.94,1026 9.155,1027 3.079,1028 -0.901,1029 17.543,1030 -2.138,1031 10.597,1032 13.757,1034 21.1,1035 10.01,1036 2.859,1037 10.175,1038 19.342,1039 -2.407,1040 11.757,1041 15.322,1042 0.03,1043 23.45,1044 11.143,1045 2.405,1046 8.746,1047 21.151,1048 4.491,1049 12.78,1050 16.708,1052 25.689,1053 12.1,1054 2.101,1055 6.874,1056 22.969,1057 3.881,1058 13.905,1059 18.229,1060 0.013,1061 28.012,1062 13.189,1063 2.037,1064 5.804,1065 24.793,1066 3.232,1067 14.972,1068 19.669,1070 30.288,1071 14.199,1072 1.96,1073 5.764,1074 26.624,1075 2.811,1076 16.084,1077 21.172,1078 0.006,1079 32.602,1080 15.271,1081 1.523,1082 5.651,1083 28.459,1084 2.765,1085 17.172,1086 22.639,1088 34.896,1089 16.307,1090 4941,1091 9594,1092 15.72,1093 24.796,1094 36.02,1095 36.893,1096 37.095,1097 35.985,1098 35.748,1099 48.812,1100 1.315,1101 103.341,1102 32.653,1103 5.37,1104 5.234,1105 5.846,1106 5.104,1107 5.079,1108 7.491,1109 1.315,1110 17.069,1111 4.933,1112 11.725,1113 1.501,1114 1.537,1115 1.546,1116 1.499,1117 1.489,1118 2.034,1119 0.055,1120 4.306,1121 1.361,1122 4.054,1123 4.097,1124 4.093,1125 3.928,1126 5.323,1127 3.946,1128 3.902,1129 3.925,1130 4.01,1131 3.842,1132 5.019,1133 3.838,1134 3.525,1135 3.593,1136 3.636,1137 3.34,1138 4.987,1139 3.361,1140 3.196,1141 3.28,1142 3.462,1143 2.997,1144 4.775,1145 3.004,1146 3.111,1147 3.228,1148 3.098,1149 2.86,1150 4.668,1151 2.852,1152 2.905,1153 2.918,1154 3.003,1155 2.805,1156 4.264,1157 2.818,1158 2.813,1159 2.881,1160 2.831,1161 2.672,1162 4.047,1163 2.666,1164 2.617,1165 2.739,1166 2.687,1167 2.317,1168 3.906,1169 2.33,1170 0.189,1171 0.135,1172 0.271,1173 0.168,1174 0.128,1175 4.541,1176 0.187,1177 3.234,1178 0.027,1179 6.502,1180 0.424,1181 4.032,1182 0.122,1183 3.079,1184 4.491,1185 0.657,1186 10.175,1187 2.933,1188 1.971,1189 1.936,1190 2.031,1191 2.121,1192 1.135,1193 2.096,1194 1.869,1195 1.85,1196 1.922,1197 1.952,1198 1.04,1199 1.958,1200 1.459,1201 1.398,1202 1.614,1203 1.68,1204 0.739,1205 1.67,1206 1.146,1207 1.07,1208 1.387,1209 1.403,1210 0.336,1211 1.408,1212 0.998,1213 0.896,1214 1.272,1215 1.383,1216 0.178,1217 1.364,1218 0.854,1219 0.827,1220 1.105,1221 1.021,1222 0.018,1223 1.054,1224 0.787,1225 0.74,1226 0.926,1227 0.941,1229 0.959,1230 0.556,1231 0.438,1232 0.857,1233 0.892,1235 0.91,1236 3.892,1238 5.22,1240 6.742,1242 8.356,1244 10.019,1247 12.058,1250 11.383,1252 0.458,1253 3.18,1262 23.891,1263 59.141,1264 123.39,1265 147.364,1266 164.974,1267 166.974,1268 166.974,1269 30.93,1270 6.914,1271 102.74,1272 102.74,1273 18,1274 12.232,1275 4.17,1276 3.248,1277 34.632,1278 76,1279 64,1280 0.226,1281 156.895,1282 256.28,1283 374.585,1284 8818,1285 5.9,1286 15.69,1287 0.713,1288 0.584,1289 16.69,1290 12.858,1291 10.525,1292 0.439,1293 0.298,1294 6.378,1295 9.598,1296 6.195,1297 5.107,1298 11.102,1299 7.159,1300 9.89,1301 0.291,1302 0.161,1303 10.669,1304 5.459,1305 7.937,1306 0.185,1307 0.084,1308 8.579,1309 3.597,1310 6.536,1311 0.119,1312 0.043,1313 7.005,1314 2.369,1315 5.42,1316 0.077,1317 0.025,1318 6.109,1319 1.716,1320 0.355,1321 71.756,1322 0.252,1323 21.744,1324 0.617,1325 116,1326 356.299,1327 157.197,1328 414.785,1329 550.28,1330 384,1331 135,1332 367.556,1333 166.896,1334 393.202,1335 573.65,1336 370,1337 6.699}
{0 CHEMBL292427,1 1.739,2 10.091,3 3.383,4 11.441,5 89.976,6 9.859,7 0.708,8 3.668,9 3.795,10 3.455,11 3.242,12 4.915,13 3.243,14 4.111,15 4.258,16 3.867,17 3.615,18 5.391,19 3.593,20 4.34,21 4.522,22 4.045,23 3.727,24 5.61,25 3.675,26 4.285,27 4.486,28 3.686,29 3.583,30 5.468,31 3.504,32 4.242,33 4.476,34 3.468,35 3.459,36 5.342,37 3.362,38 4.153,39 4.406,40 3.33,41 3.358,42 5.22,43 3.243,44 3.932,45 4.158,46 3.353,47 3.249,48 5.012,49 3.155,50 3.751,51 3.933,52 3.412,53 3.163,54 5.001,55 3.088,56 0.119,57 0.556,58 3.963,59 2.28,60 13.595,61 2.492,62 0.217,63 0.825,64 7.679,65 4.141,66 19.577,67 4.96,68 0.434,69 0.942,70 18.548,71 5.261,72 36.607,73 5.93,74 0.349,75 0.859,76 15.671,77 5.386,78 33.252,79 6.555,80 0.352,81 0.798,82 15.984,83 5.242,84 38.229,85 6.598,86 0.39,87 0.694,88 17.731,89 4.978,90 39.2,91 6.213,92 0.266,93 0.55,94 13.972,95 4.173,96 25.631,97 5.261,98 0.193,99 0.476,100 9.237,101 3.339,102 18.606,103 4.101,104 17,105 34,106 0.318,107 0.663,108 0.792,109 0.886,110 0.897,111 0.897,112 3.146,113 0.895,114 -4.11,115 -4.06,116 -3.84,119 41.2,125 1,139 5,141 3,143 3,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 2,172 3,173 3,175 2,178 3,181 2,182 2,184 1,185 2,187 2,189 5,193 1,195 1,196 1,197 1,198 4,200 2,201 1,204 2,205 1,207 3,209 1,210 1,212 3,215 2,218 2,221 1,224 2,225 1,228 1,229 3,234 1,241 2,246 5,250 1,251 2,253 1,254 2,256 2,260 2,265 1,268 1,270 1,273 608,274 14.533,275 14.533,276 14.533,277 14.533,278 14.533,279 12.367,280 18.204,281 8.408,282 15.056,283 11.822,284 11.822,285 11.822,286 11.822,287 11.822,288 8.608,289 25.521,290 4.018,291 12.837,292 3.348,293 1.458,294 0.753,295 0.235,296 0.176,297 0.176,298 3.825,299 2,300 1,301 1,302 1,303 475,304 2.449,307 183.254,311 95.662,314 1.463,315 22.354,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 47.667,327 222,328 4.541,329 3.316,330 6.502,331 4.032,332 3.079,333 4.491,334 0.657,335 10.175,336 2.933,337 4.215,338 3.131,339 5.951,340 3.735,341 2.83,342 3.87,344 8.326,345 2.549,346 3.779,347 2.72,348 5.353,349 3.374,350 2.435,351 3.236,353 6.957,354 2.277,355 3.514,356 2.41,357 5.161,358 3.087,359 2.18,360 2.829,362 6.325,363 1.905,364 3.427,365 2.175,366 5.062,367 2.96,368 2.028,369 2.811,371 5.8,372 1.877,373 3.352,374 2.126,375 4.963,376 2.889,377 1.944,378 2.673,380 5.73,381 1.806,382 2.82,383 2.032,384 4.043,385 2.306,386 1.414,387 1.949,389 3.526,390 1.199,391 2.454,392 1.073,393 3.71,394 1.96,395 1.009,396 1.435,398 2.565,399 0.957,400 1.971,401 1.043,402 3.295,403 1.691,404 0.775,405 0.895,407 1.832,408 0.696,409 1.472,410 0.68,411 2.769,412 1.033,413 0.179,414 0.219,415 0.41,416 0.129,417 1.237,418 0.193,419 2.605,420 0.772,421 -0.057,422 -0.071,423 -0.135,424 -0.044,425 0.969,426 -0.081,427 2.476,428 0.478,429 -0.439,430 -0.568,431 -1.144,432 -0.39,433 0.76,434 -0.295,435 2.375,436 0.304,437 -0.573,438 -0.7,439 -1.506,440 -0.43,441 0.586,442 -0.456,443 2.205,444 0.133,445 -0.808,446 -1.01,448 -2.035,449 -0.671,450 0.442,451 -0.726,452 1.903,453 0.109,454 -0.819,455 -1.116,457 -2.396,458 -0.771,459 10.829,460 0.492,461 0.647,462 0.029,463 32.5,464 1.477,465 17.5,466 0.795,467 15,468 0.682,469 14.49,470 0.659,471 22.771,472 0.67,473 21.467,474 0.976,475 6.396,476 0.291,477 4.129,478 0.188,479 0.206,481 0.369,485 0.953,486 1.211,487 0.537,488 0.673,489 1.108,490 0.665,491 0.658,492 1.129,493 0.57,494 0.83,495 0.505,496 0.817,497 1.034,498 0.966,499 0.859,500 0.852,501 0.887,502 0.918,503 0.907,504 1.207,505 0.963,506 1.211,507 0.831,508 1.222,509 0.861,510 1.082,511 0.829,512 1.083,513 1.018,514 1.15,515 1.029,516 0.634,517 0.985,518 0.851,519 1.119,520 0.985,521 0.898,522 0.856,523 0.911,524 0.894,525 0.86,526 0.902,527 0.812,528 1.08,529 0.913,530 1.024,531 0.818,532 0.986,533 5.5,534 0.132,535 2.667,536 1.375,537 1.631,538 0.41,539 0.303,540 0.342,541 0.176,542 0.182,543 5188,544 19406,545 2.043,546 35.3,548 7,551 5,555 1.639,556 1.886,557 3.299,558 2.824,560 1,562 1,564 59.141,565 1.739,566 3.629,567 4.334,568 4.852,569 4.911,570 4.911,571 2.738,572 4.459,573 4.434,574 3.429,575 792.112,576 7.586,577 8815.46,578 1,579 1,580 1,581 1,582 172.974,583 1.495,584 4.376,585 0.229,586 0.011,587 0.078,588 0.04,589 0.063,590 0.02,591 0.017,592 0.019,593 0.01,594 0.012,595 0.499,596 0.33,597 1,598 0.65,599 102.135,600 -0.236,601 -0.024,602 -0.024,603 0.121,604 -0.333,605 0.103,606 0.108,607 -0.016,608 0.068,609 0.024,610 0.182,611 0.025,612 -0.041,613 0.087,614 0.033,615 0.054,616 -0.015,617 -0.037,618 -0.039,619 -0.221,620 -0.138,621 -0.281,622 0.023,623 -0.27,624 -0.04,625 -0.132,626 -0.06,627 -0.142,628 -0.101,629 -0.144,630 -0.105,631 0.291,632 -0.084,633 0.131,634 -0.195,635 0.054,636 -0.017,637 0.047,638 0.05,639 0.128,640 -0.023,641 0.16,642 0.1,643 -0.123,644 0.07,645 -0.029,646 0.143,647 0.001,648 1.534,649 1.866,650 0.727,651 17.058,652 1.023,653 1.133,654 2.88,655 8.292,656 0.729,657 3.219,658 3.555,659 3.784,660 4.007,661 4.248,662 4.22,663 4.234,664 4.317,665 4.431,666 4.419,667 5.867,668 0.703,669 335.22,670 3.219,671 4.762,672 5.602,673 6.475,674 7.331,675 8.204,676 9.066,677 9.939,678 10.804,679 11.677,680 17.6,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,717 2,718 34,719 17,720 1,721 24,723 36,724 14,725 13,726 3,727 3,729 3,730 4,731 2,741 13,742 1,753 1,754 1,757 12,758 6,759 5,760 8,761 2,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,807 2,810 22,811 2,816 1,817 1,828 2,836 11.667,837 5.969,838 4.75,839 1.76,840 3.321,841 1.48,842 1.025,843 4.2,844 10.235,845 3.512,846 4.19,847 4.785,848 5.376,849 5.973,850 6.179,851 6.458,852 6.816,853 7.231,854 7.276,855 0.857,856 34,857 8.015,859 3.392,860 7.889,861 14.9,863 11.947,865 2.389,866 52.556,870 82.398,871 70.517,872 134.162,873 78.297,877 70.517,878 160.695,879 134.162,881 2.106,882 113.176,883 68.367,884 16.803,885 4.227,886 82.398,887 78.297,888 82.398,889 204.679,891 78.297,893 82.398,897 11.05,898 125.261,899 146.665,901 82.398,902 134.162,903 148.814,906 82.398,907 23.136,908 47.381,909 18.011,910 194.448,911 82.398,912 134.162,913 148.814,915 0.592,916 0.34,917 0.173,918 0.098,919 17,920 8,921 0.083,922 3,923 1,924 1.125,925 3.445,926 168.577,927 0.125,928 16,929 98.107,933 15.092,934 6.123,935 3.349,936 1.144,937 134.162,938 8.979,939 12.445,943 3.036,945 83.805,946 365.374,947 32.5,956 34.793,957 38.539,958 0.342,959 0.713,960 0.852,961 0.954,962 0.965,963 0.965,964 4.738,965 1.009,966 5.602,967 3.526,968 4.234,969 4.875,970 0.623,971 6.392,972 4.077,973 5.98,974 0.775,975 7.155,976 2.565,977 3.892,978 4.808,980 7.222,981 3.601,982 7.304,983 0.179,984 8.801,985 1.832,986 5.82,987 7.168,988 0.317,989 10.283,990 5.536,991 8.661,992 -0.057,993 10.497,994 0.41,995 6.217,996 7.861,998 11.89,999 5.804,1000 10.043,1001 -0.439,1002 12.225,1003 -0.135,1004 7.66,1005 9.736,1006 0.149,1007 14.487,1008 7.254,1009 11.445,1010 -0.573,1011 13.975,1012 -1.144,1013 8.411,1014 10.811,1016 16.46,1017 7.899,1018 12.863,1019 -0.808,1020 15.743,1021 -1.506,1022 9.653,1023 12.474,1024 0.067,1025 18.882,1026 9.131,1027 3.079,1028 -0.819,1029 17.525,1030 -2.035,1031 10.583,1032 13.753,1034 21.034,1035 9.978,1036 2.83,1037 10.175,1038 19.319,1039 -2.396,1040 11.74,1041 15.318,1042 0.03,1043 23.387,1044 11.112,1045 2.435,1046 8.326,1047 21.122,1048 4.491,1049 12.759,1050 16.704,1052 25.625,1053 12.065,1054 2.18,1055 6.957,1056 22.934,1057 3.87,1058 13.882,1059 18.225,1060 0.013,1061 27.952,1062 13.155,1063 2.028,1064 6.325,1065 24.754,1066 3.236,1067 14.945,1068 19.664,1070 30.231,1071 14.163,1072 1.944,1073 5.8,1074 26.58,1075 2.829,1076 16.056,1077 21.168,1078 0.006,1079 32.549,1080 15.236,1081 1.414,1082 5.73,1083 28.412,1084 2.811,1085 17.142,1086 22.634,1088 34.847,1089 16.273,1090 5053,1091 9894,1092 15.72,1093 24.796,1094 36.006,1095 36.911,1096 37.079,1097 35.966,1098 35.746,1099 48.812,1100 1.315,1101 103.289,1102 32.655,1103 5.365,1104 5.316,1105 5.879,1106 5.104,1107 5.079,1108 7.491,1109 1.315,1110 17.069,1111 4.933,1112 11.856,1113 1.5,1114 1.538,1115 1.545,1116 1.499,1117 1.489,1118 2.034,1119 0.055,1120 4.304,1121 1.361,1122 4.053,1123 4.097,1124 4.118,1125 3.928,1126 5.323,1127 3.945,1128 3.902,1129 3.925,1130 4.016,1131 3.843,1132 5.046,1133 3.838,1134 3.526,1135 3.593,1136 3.504,1137 3.342,1138 4.988,1139 3.363,1140 3.201,1141 3.279,1142 3.401,1143 3.01,1144 4.778,1145 3.017,1146 3.112,1147 3.228,1148 3.305,1149 2.818,1150 4.492,1151 2.851,1152 2.879,1153 2.922,1154 3.012,1155 2.791,1156 4.379,1157 2.767,1158 2.829,1159 2.88,1160 2.915,1161 2.709,1162 4.188,1163 2.699,1164 2.617,1165 2.739,1166 2.536,1167 2.319,1168 3.909,1169 2.331,1170 0.189,1171 0.138,1172 0.271,1173 0.168,1174 0.128,1175 4.541,1176 0.187,1177 3.316,1178 0.027,1179 6.502,1180 0.424,1181 4.032,1182 0.122,1183 3.079,1184 4.491,1185 0.657,1186 10.175,1187 2.933,1188 1.971,1189 1.936,1190 2.032,1191 2.122,1192 1.135,1193 2.097,1194 1.869,1195 1.85,1196 1.926,1197 1.955,1198 1.041,1199 1.96,1200 1.458,1201 1.398,1202 1.607,1203 1.677,1204 0.737,1205 1.666,1206 1.143,1207 1.071,1208 1.376,1209 1.393,1210 0.333,1211 1.399,1212 0.997,1213 0.896,1214 1.272,1215 1.383,1216 0.173,1217 1.364,1218 0.868,1219 0.824,1220 1.102,1221 1.021,1222 0.029,1223 1.062,1224 0.779,1225 0.742,1226 0.929,1227 0.959,1229 0.969,1230 0.556,1231 0.439,1232 0.863,1233 0.894,1235 0.909,1236 3.892,1238 5.22,1240 6.742,1242 8.354,1244 10.014,1247 11.86,1250 11.382,1252 0.498,1253 3.213,1262 23.891,1263 59.141,1264 123.39,1265 147.364,1266 164.974,1267 166.974,1268 166.974,1269 30.786,1270 6.914,1271 102.74,1272 102.74,1273 18,1274 12.22,1275 4.17,1276 3.248,1277 34.712,1278 78,1279 70,1280 0.22,1281 156.895,1282 256.28,1283 374.585,1284 8818,1285 5.9,1286 15.69,1287 0.713,1288 0.584,1289 16.69,1290 12.858,1291 10.525,1292 0.439,1293 0.298,1294 6.378,1295 9.627,1296 6.195,1297 5.109,1298 11.102,1299 7.159,1300 9.868,1301 0.29,1302 0.16,1303 10.609,1304 5.434,1305 8.057,1306 0.187,1307 0.088,1308 8.971,1309 3.777,1310 6.426,1311 0.119,1312 0.042,1313 6.827,1314 2.291,1315 5.272,1316 0.076,1317 0.023,1318 5.653,1319 1.565,1320 0.348,1321 71.756,1322 0.252,1323 21.856,1324 0.593,1325 116,1326 356.299,1327 157.197,1328 414.86,1329 550.34,1330 384,1331 135,1332 367.556,1333 172.166,1334 393.399,1335 574.44,1336 370,1337 7.268}
{0 CHEMBL292634,1 1.739,2 10.045,3 3.383,4 11.441,5 89.976,6 9.859,7 0.708,8 3.668,9 3.795,10 3.455,11 3.242,12 4.915,13 3.243,14 4.111,15 4.258,16 3.867,17 3.615,18 5.393,19 3.593,20 4.34,21 4.522,22 3.951,23 3.714,24 5.587,25 3.668,26 4.295,27 4.485,28 3.874,29 3.63,30 5.519,31 3.543,32 4.246,33 4.475,34 3.475,35 3.47,36 5.357,37 3.37,38 4.15,39 4.407,40 3.427,41 3.353,42 5.242,43 3.251,44 3.937,45 4.157,46 3.345,47 3.274,48 5.006,49 3.172,50 3.751,51 3.933,52 3.412,53 3.163,54 4.981,55 3.088,56 0.119,57 0.556,58 3.963,59 2.28,60 13.595,61 2.492,62 0.217,63 0.825,64 7.679,65 4.141,66 19.366,67 4.96,68 0.418,69 0.934,70 16.059,71 5.196,72 34.87,73 5.947,74 0.382,75 0.856,76 19.436,77 5.551,78 37.169,79 6.501,80 0.365,81 0.794,82 17.011,83 5.298,84 39.083,85 6.575,86 0.386,87 0.694,88 16.159,89 4.882,90 38.117,91 6.255,92 0.261,93 0.547,94 14.767,95 4.256,96 25.687,97 5.226,98 0.193,99 0.476,100 9.237,101 3.339,102 19.163,103 4.101,104 17,105 34,106 0.318,107 0.663,108 0.802,109 0.897,110 0.897,111 0.897,112 3.146,113 0.895,114 -4.11,115 -4.06,116 -3.84,119 41.2,125 1,139 5,141 3,143 3,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 2,172 3,173 3,175 1,178 4,181 2,182 2,184 1,185 2,187 4,189 3,193 1,195 1,196 1,197 1,198 3,200 2,201 2,204 2,205 1,207 2,209 1,210 1,212 3,215 1,218 2,221 3,224 2,225 1,228 1,229 4,241 3,246 3,250 1,251 1,253 1,254 1,256 1,260 6,265 3,268 1,270 3,273 604,274 14.533,275 14.533,276 14.533,277 14.533,278 14.533,279 12.367,280 17.572,281 8.428,282 15.068,283 11.832,284 11.832,285 11.832,286 11.832,287 11.832,288 8.612,289 22.461,290 4.026,291 12.832,292 3.348,293 1.458,294 0.694,295 0.176,296 0.176,297 0.176,298 3.825,299 2,300 1,301 1,302 1,303 473,304 2.449,307 182.02,311 94.616,314 1.413,315 22.543,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 47.667,327 221,328 4.541,329 3.243,330 6.502,331 4.032,332 3.079,333 4.491,334 0.657,335 10.175,336 2.933,337 4.23,338 3.126,339 6.06,340 3.776,341 2.856,342 3.88,344 8.71,345 2.592,346 3.77,347 2.756,348 5.311,349 3.354,350 2.41,351 3.233,353 6.879,354 2.273,355 3.47,356 2.619,357 5.062,358 3.006,359 2.124,360 2.811,362 5.848,363 1.889,364 3.427,365 2.195,366 4.98,367 2.954,368 2.032,369 2.787,371 5.796,372 1.859,373 3.36,374 2.059,375 4.945,376 2.89,377 1.954,378 2.681,380 5.711,381 1.738,382 2.848,383 1.912,384 4.172,385 2.366,386 1.473,387 1.979,389 3.769,390 1.242,391 2.454,392 1.068,393 3.71,394 1.961,395 1.009,396 1.435,398 2.565,399 0.957,400 2.019,401 1.04,402 3.304,403 1.728,404 0.808,405 0.948,407 1.89,408 0.726,409 1.476,410 0.531,411 2.779,412 1.061,413 0.162,414 0.203,415 0.394,416 0.135,417 1.134,418 0.256,419 2.611,420 0.709,421 -0.167,422 -0.208,423 -0.4,424 -0.134,425 0.961,426 0.081,427 2.479,428 0.471,429 -0.448,430 -0.577,431 -1.155,432 -0.293,433 0.796,434 -0.296,435 2.359,436 0.272,437 -0.515,438 -0.621,439 -1.242,440 -0.409,441 0.59,442 -0.484,443 2.206,444 0.136,445 -0.785,446 -0.955,448 -1.995,449 -0.69,450 0.44,451 -0.729,452 1.903,453 0.127,454 -0.816,455 -1.113,457 -2.395,458 -0.772,459 10.829,460 0.492,461 0.647,462 0.029,463 32.5,464 1.477,465 17.5,466 0.795,467 15,468 0.682,469 14.548,470 0.661,471 22.771,472 0.67,473 21.527,474 0.979,475 6.396,476 0.291,477 4.129,478 0.188,479 0.206,481 0.369,485 0.953,486 1.211,487 0.537,488 0.673,489 1.108,490 0.665,491 0.658,492 1.129,493 0.57,494 0.83,495 0.495,496 0.817,497 1.084,498 0.974,499 1.001,500 0.932,501 0.96,502 0.951,503 0.985,504 1.19,505 0.977,506 1.161,507 0.873,508 1.197,509 0.943,510 1.084,511 0.95,512 1.142,513 1.098,514 1.194,515 0.819,516 0.638,517 0.752,518 0.749,519 0.909,520 0.88,521 1.12,522 0.835,523 1.096,524 0.905,525 1.041,526 0.926,527 0.812,528 1.08,529 0.913,530 1.024,531 0.891,532 0.986,533 5.5,534 0.153,535 2.667,536 1.5,537 1.551,538 0.521,539 0.262,540 0.326,541 0.258,542 0.117,543 5128,544 19038,545 2.043,546 35.3,548 7,551 5,555 1.64,556 1.886,557 3.276,558 2.824,560 1,562 1,564 59.141,565 1.739,566 3.629,567 4.393,568 4.911,569 4.911,570 4.911,571 2.686,572 4.278,573 4.434,574 3.409,575 787.448,576 7.591,577 8721.86,578 1,579 1,580 1,581 1,582 172.974,583 1.495,584 4.376,585 0.229,586 0.015,587 0.078,588 0.044,589 0.057,590 0.025,591 0.014,592 0.018,593 0.014,594 0.007,595 0.503,596 0.33,597 1,598 0.65,599 101.887,600 -0.236,601 -0.024,602 -0.024,603 0.121,604 -0.333,605 0.103,606 0.108,607 -0.016,608 0.068,609 0.024,610 0.192,611 0.025,612 -0.093,613 0.079,614 -0.114,615 -0.028,616 -0.09,617 -0.071,618 -0.038,619 -0.209,620 -0.035,621 -0.207,622 0.041,623 -0.25,624 -0.082,625 -0.137,626 -0.124,627 -0.191,628 -0.152,629 -0.192,630 0.065,631 0.29,632 0.089,633 0.224,634 -0.012,635 0.166,636 -0.188,637 0.065,638 -0.057,639 0.133,640 -0.167,641 0.13,642 0.1,643 -0.123,644 0.07,645 -0.029,646 0.068,647 0.001,648 1.536,649 2.001,650 0.727,651 16.86,652 1.023,653 1.133,654 2.88,655 8.292,656 0.729,657 3.219,658 3.555,659 3.784,660 4.025,661 4.248,662 4.234,663 4.22,664 4.331,665 4.454,666 4.419,667 5.789,668 0.703,669 335.22,670 3.219,671 4.762,672 5.602,673 6.479,674 7.334,675 8.21,676 9.071,677 9.948,678 10.812,679 11.689,680 17.6,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,717 2,718 34,719 17,720 1,721 24,723 36,724 14,725 13,726 3,727 3,729 3,730 4,731 2,741 13,742 1,753 1,754 1,757 12,758 6,759 5,760 8,761 2,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,807 2,810 22,811 2,816 1,817 1,828 2,836 11.667,837 5.969,838 4.75,839 1.76,840 3.349,841 1.484,842 1.025,843 4.2,844 10.263,845 3.512,846 4.19,847 4.785,848 5.383,849 5.971,850 6.184,851 6.45,852 6.824,853 7.24,854 7.279,855 0.857,856 34,857 8.017,859 3.393,860 7.889,861 14.9,863 11.947,865 2.389,866 52.556,870 82.398,871 70.517,872 134.162,873 78.297,877 70.517,878 160.695,879 134.162,881 2.106,882 113.176,883 68.367,884 16.803,885 4.227,886 82.398,887 78.297,888 82.398,889 204.679,891 78.297,893 82.398,897 11.05,898 125.261,899 146.665,901 82.398,902 134.162,903 148.814,906 82.398,907 23.136,908 47.381,909 18.011,910 194.448,911 82.398,912 134.162,913 148.814,915 0.591,916 0.338,917 0.179,918 0.098,919 17,920 8,921 0.083,922 3,923 1,924 1.125,925 3.435,926 169.185,927 0.125,928 16,929 98.107,933 15.092,934 6.123,935 3.349,936 1.133,937 134.162,938 8.887,939 12.439,943 3.068,945 83.805,946 365.374,947 32.5,956 34.793,957 38.539,958 0.342,959 0.713,960 0.864,961 0.965,962 0.965,963 0.965,964 4.738,965 1.009,966 5.602,967 3.769,968 4.234,969 4.875,970 0.623,971 6.395,972 4.077,973 5.98,974 0.808,975 7.155,976 2.565,977 3.892,978 4.808,980 7.235,981 3.601,982 7.304,983 0.162,984 8.801,985 1.89,986 5.82,987 7.168,988 0.317,989 10.301,990 5.539,991 8.661,992 -0.167,993 10.499,994 0.394,995 6.217,996 7.861,998 11.926,999 5.816,1000 10.044,1001 -0.448,1002 12.23,1003 -0.4,1004 7.662,1005 9.736,1006 0.149,1007 14.525,1008 7.265,1009 11.446,1010 -0.515,1011 13.984,1012 -1.155,1013 8.417,1014 10.813,1016 16.513,1017 7.921,1018 12.865,1019 -0.785,1020 15.756,1021 -1.242,1022 9.662,1023 12.476,1024 0.067,1025 18.934,1026 9.152,1027 3.079,1028 -0.816,1029 17.543,1030 -1.995,1031 10.596,1032 13.757,1034 21.093,1035 10.007,1036 2.856,1037 10.175,1038 19.342,1039 -2.395,1040 11.755,1041 15.321,1042 0.03,1043 23.444,1044 11.139,1045 2.41,1046 8.71,1047 21.15,1048 4.491,1049 12.778,1050 16.707,1052 25.683,1053 12.095,1054 2.124,1055 6.879,1056 22.967,1057 3.88,1058 13.903,1059 18.229,1060 0.013,1061 28.006,1062 13.185,1063 2.032,1064 5.848,1065 24.791,1066 3.233,1067 14.969,1068 19.668,1070 30.282,1071 14.194,1072 1.954,1073 5.796,1074 26.622,1075 2.811,1076 16.081,1077 21.171,1078 0.006,1079 32.596,1080 15.266,1081 1.473,1082 5.711,1083 28.457,1084 2.787,1085 17.169,1086 22.638,1088 34.891,1089 16.302,1090 4997,1091 9744,1092 15.72,1093 24.796,1094 36.109,1095 36.659,1096 37.093,1097 36.09,1098 35.814,1099 48.891,1100 1.315,1101 103.474,1102 32.691,1103 5.369,1104 5.243,1105 5.881,1106 5.104,1107 5.079,1108 7.491,1109 1.315,1110 17.069,1111 4.933,1112 11.787,1113 1.505,1114 1.527,1115 1.546,1116 1.504,1117 1.492,1118 2.037,1119 0.055,1120 4.311,1121 1.362,1122 4.053,1123 4.097,1124 4.098,1125 3.928,1126 5.323,1127 3.946,1128 3.902,1129 3.925,1130 4.012,1131 3.842,1132 5.025,1133 3.838,1134 3.526,1135 3.593,1136 3.6,1137 3.341,1138 4.988,1139 3.361,1140 3.199,1141 3.279,1142 3.459,1143 3.005,1144 4.776,1145 3.012,1146 3.112,1147 3.228,1148 3.166,1149 2.823,1150 4.632,1151 2.851,1152 2.881,1153 2.922,1154 3.01,1155 2.795,1156 4.283,1157 2.775,1158 2.83,1159 2.879,1160 2.904,1161 2.712,1162 4.135,1163 2.701,1164 2.617,1165 2.739,1166 2.49,1167 2.322,1168 3.909,1169 2.334,1170 0.189,1171 0.135,1172 0.271,1173 0.168,1174 0.128,1175 4.541,1176 0.187,1177 3.243,1178 0.027,1179 6.502,1180 0.424,1181 4.032,1182 0.122,1183 3.079,1184 4.491,1185 0.657,1186 10.175,1187 2.933,1188 1.971,1189 1.936,1190 2.031,1191 2.121,1192 1.135,1193 2.096,1194 1.869,1195 1.85,1196 1.923,1197 1.953,1198 1.04,1199 1.959,1200 1.458,1201 1.398,1202 1.611,1203 1.679,1204 0.738,1205 1.668,1206 1.144,1207 1.07,1208 1.38,1209 1.398,1210 0.334,1211 1.404,1212 0.998,1213 0.896,1214 1.272,1215 1.383,1216 0.172,1217 1.364,1218 0.869,1219 0.824,1220 1.101,1221 1.02,1222 0.041,1223 1.063,1224 0.778,1225 0.742,1226 0.938,1227 0.965,1229 0.974,1230 0.555,1231 0.439,1232 0.882,1233 0.894,1235 0.908,1236 3.892,1238 5.22,1240 6.742,1242 8.356,1244 10.019,1247 11.979,1250 11.383,1252 0.473,1253 3.193,1262 23.891,1263 59.141,1264 123.39,1265 149.364,1266 166.974,1267 166.974,1268 166.974,1269 30.854,1270 6.914,1271 102.74,1272 102.74,1273 18,1274 12.23,1275 4.17,1276 3.248,1277 34.678,1278 77,1279 72,1280 0.223,1281 156.895,1282 256.28,1283 374.585,1284 8818,1285 5.9,1286 15.69,1287 0.713,1288 0.584,1289 16.69,1290 12.858,1291 10.525,1292 0.439,1293 0.298,1294 6.378,1295 9.598,1296 6.195,1297 5.107,1298 11.102,1299 7.159,1300 9.89,1301 0.291,1302 0.161,1303 10.669,1304 5.459,1305 7.922,1306 0.184,1307 0.083,1308 8.537,1309 3.583,1310 6.64,1311 0.121,1312 0.045,1313 7.336,1314 2.488,1315 5.214,1316 0.076,1317 0.022,1318 5.572,1319 1.546,1320 0.352,1321 71.756,1322 0.252,1323 21.805,1324 0.605,1325 116,1326 356.299,1327 157.197,1328 414.785,1329 550.28,1330 384,1331 135,1332 367.556,1333 166.896,1334 393.203,1335 573.68,1336 370,1337 7.056}
{0 CHEMBL292827,1 1.612,2 9.36,3 2.082,4 4.333,5 108.803,6 7.449,7 0.444,8 3.957,9 4.091,10 3.617,11 3.529,12 5.051,13 3.467,14 4.47,15 4.658,16 3.948,17 3.931,18 5.548,19 3.854,20 4.719,21 4.891,22 4.046,23 4.127,24 5.802,25 4.033,26 4.926,27 5.174,28 4.043,29 4.198,30 5.893,31 4.049,32 4.867,33 5.085,34 4.028,35 4.194,36 5.837,37 4.032,38 4.923,39 5.166,40 3.843,41 4.121,42 5.903,43 3.932,44 4.843,45 5.12,46 3.722,47 3.894,48 5.81,49 3.726,50 4.58,51 4.857,52 3.567,53 3.641,54 5.721,55 3.5,56 0.078,57 0.76,58 12.114,59 4.529,60 14.308,61 5.904,62 0.184,63 1.186,64 21.753,65 8.251,66 25.347,67 10.698,68 0.205,69 1.486,70 25.546,71 9.166,72 33.091,73 12.546,74 0.341,75 1.634,76 34.45,77 12.46,78 49.174,79 16.983,80 0.21,81 1.59,82 33.816,83 12.405,84 38.346,85 16.055,86 0.298,87 1.558,88 41.559,89 13.596,90 55.473,91 17.089,92 0.372,93 1.318,94 34.61,95 10.593,96 66.459,97 14.93,98 0.398,99 1.087,100 25.603,101 7.809,102 62.058,103 11.168,104 51,105 41,106 0.275,107 0.659,108 0.815,109 0.836,110 0.836,111 0.836,112 3.268,113 1.063,114 -4.08,115 -4.03,116 -3.81,119 37.5,120 3,121 1,124 1,129 1,134 1,135 1,139 2,140 3,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 2,172 3,173 3,175 5,178 12,180 1,182 3,187 4,189 9,191 1,193 4,195 1,196 2,197 1,198 4,200 2,201 9,204 2,205 1,207 7,212 4,215 9,218 3,221 7,226 3,229 4,231 2,234 2,239 3,241 2,243 3,245 2,246 4,248 1,249 3,250 1,251 3,253 1,254 2,256 3,265 1,270 1,273 804,274 15.826,275 15.826,276 15.826,277 15.826,278 15.826,279 13.931,280 24.174,281 8.895,282 16.331,283 13.316,284 13.316,285 13.316,286 13.316,287 13.316,288 10.386,289 36.112,290 4.247,291 14.112,292 3.973,293 1.727,294 0.813,295 0.688,296 0.688,297 0.688,298 3.938,300 1,301 1,302 1,303 491,304 3.317,307 200.889,311 105.847,314 1.306,315 24.871,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 53.5,327 234,328 4.627,329 4.72,330 6.956,331 4.34,332 3.371,333 4.268,334 2.95,335 11.803,336 3.27,337 4.253,338 3.586,339 6.533,340 3.948,341 2.984,342 3.884,343 0.68,344 10.283,345 2.888,346 4.154,347 3.133,348 6.089,349 3.803,350 2.849,351 3.435,352 0.657,353 8.848,354 2.725,355 3.784,356 2.926,357 5.897,358 3.409,359 2.477,360 3.059,362 7.963,363 2.301,364 3.591,365 2.532,366 5.278,367 3.235,368 2.276,369 2.859,371 6.719,372 2.165,373 3.365,374 2.491,375 4.929,376 2.939,377 1.996,378 2.649,380 5.648,381 1.869,382 3.169,383 2.15,384 4.885,385 2.666,386 1.741,387 2.276,389 4.978,390 1.578,391 2.822,392 1.899,393 4.134,394 2.349,395 1.415,396 1.951,398 3.66,399 1.318,400 2.567,401 1.554,402 3.884,403 1.986,404 1.024,405 1.49,407 2.697,408 0.972,409 1.721,410 0.874,411 3.34,412 1.432,413 0.478,414 0.568,415 1.262,416 0.454,417 1.383,418 0.639,419 3.187,420 1.067,421 0.129,422 0.151,423 0.337,424 0.12,425 0.914,426 0.224,427 2.909,428 0.591,429 -0.401,430 -0.461,431 -1.181,432 -0.397,433 0.802,434 -0.028,435 2.579,436 0.433,437 -0.511,438 -0.619,439 -1.242,440 -0.465,441 0.689,442 -0.313,443 2.423,444 0.389,445 -0.539,446 -0.634,448 -1.56,449 -0.518,450 0.665,451 -0.319,452 2.359,453 0.293,454 -0.682,455 -0.876,457 -2,458 -0.641,459 12.167,460 0.487,461 1.012,462 0.04,463 32.25,464 1.29,465 16.5,466 0.66,467 15.75,468 0.63,469 23.295,470 0.932,471 27.433,472 0.572,473 23.734,474 0.949,475 5.906,476 0.236,477 5.753,478 0.23,479 0.258,480 0.041,481 0.397,485 0.854,486 1.196,487 0.871,488 1.016,489 0.946,490 0.928,491 0.533,492 0.946,493 0.87,494 0.971,495 0.412,496 0.809,497 1.213,498 1.241,499 1.076,500 1.133,501 1.084,502 1.192,503 0.7,504 0.869,505 0.856,506 0.907,507 0.691,508 0.959,509 0.931,510 1.105,511 1.181,512 1.217,513 0.886,514 1.192,515 1.09,516 1.131,517 1.491,518 1.42,519 1.114,520 1.197,521 1.244,522 1.032,523 0.832,524 0.945,525 1.627,526 0.933,527 0.627,528 1.066,529 0.828,530 0.972,531 0.686,532 0.953,533 8,534 0.058,535 3.333,536 2.5,537 2.453,538 1.069,539 0.809,540 0.51,541 0.267,542 0.321,543 6155,544 16459,545 1.96,546 47.9,547 5,548 6,550 1,551 5,553 6,555 1.685,556 1.754,557 3.143,558 2.607,559 1,560 1,564 77.368,565 1.612,566 3.858,567 4.772,568 4.897,569 4.897,570 4.897,571 2.569,572 4.324,573 4.616,574 3.314,575 994.291,576 8.007,577 11625.8,579 1,581 1,582 268.078,583 1.757,584 4.518,585 0.296,586 0.005,587 0.081,588 0.06,589 0.061,590 0.029,591 0.026,592 0.02,593 0.011,594 0.021,595 0.61,596 0.33,597 1,598 0.886,599 118.392,600 -0.053,601 0.051,602 0.116,603 0.091,604 -0.224,605 0.086,606 0.231,607 0.177,608 0.144,609 0.127,610 0.231,611 0.22,612 -0.226,613 -0.108,614 -0.198,615 -0.146,616 -0.178,617 -0.214,618 0.088,619 0.107,620 0.068,621 0.08,622 0.065,623 0.046,624 -0.102,625 -0.07,626 -0.12,627 -0.113,628 -0.057,629 -0.166,630 -0.105,631 -0.153,632 -0.238,633 -0.229,634 -0.024,635 -0.162,636 -0.021,637 -0.2,638 0.127,639 0.006,640 -0.128,641 0.053,642 0.432,643 -0.139,644 0.116,645 -0.068,646 0.349,647 -0.003,648 2.338,649 5.337,650 0.64,651 19.286,652 0.997,653 1.132,654 2.849,655 8.119,656 0.666,657 3.332,658 3.738,659 3.951,660 4.263,661 4.543,662 4.615,663 4.7,664 4.796,665 4.875,666 4.942,667 5.515,668 0.62,669 357.53,670 3.332,671 4.92,672 5.771,673 6.691,674 7.567,675 8.486,676 9.373,677 10.291,678 11.184,679 12.102,680 10.4,684 2,685 1,690 2,695 3,696 2,700 7,702 12,711 2,712 1,718 48,719 14,720 1,721 27,723 50,724 18,725 10,726 4,727 2,728 2,729 3,730 4,734 3,737 1,739 1,741 12,742 6,743 1,744 2,748 1,749 1,751 1,752 1,754 1,757 23,758 6,759 5,760 7,761 1,764 5,769 0.667,770 1,776 1,781 3,785 1,795 1,796 1,802 2,804 1,806 4,810 25,811 2,812 1,816 1,817 1,822 1,829 2.1,832 1,836 14.25,837 9.733,838 5.222,839 2.578,840 2.651,841 1.368,842 0.977,843 4.604,844 9.845,845 3.584,846 4.234,847 4.766,848 5.347,849 5.918,850 6.168,851 6.53,852 6.874,853 7.218,854 7.522,855 1,856 42,857 9.251,859 3.955,860 7.772,861 17.634,863 14.659,865 2.272,866 56.806,870 211.88,871 114.086,872 117.376,874 22.156,876 19.133,877 94.953,878 234.036,879 117.376,880 33.666,881 2.535,882 113.356,883 85.509,884 26.097,885 4.227,886 200.109,888 211.88,889 212.33,890 22.156,891 19.133,893 141.253,894 92.783,897 39.957,898 111.315,899 61.058,900 19.133,901 211.88,902 139.533,903 114.086,906 231.013,907 23.811,908 71.142,909 18.011,910 121.522,911 211.88,912 139.533,913 114.086,915 0.608,916 0.337,917 0.182,918 0.109,919 21,920 11,921 0.06,922 3,923 1,924 1.125,925 3.456,926 213.739,927 0.125,928 16,929 114.096,931 1,933 17.899,934 6.431,935 3.7,937 139.533,938 5.714,939 8.028,943 5.144,945 83.805,946 465.499,947 35,951 12.337,952 2.183,954 1.161,955 -1.116,956 47.865,957 54.358,958 0.289,959 0.691,960 0.854,961 0.877,962 0.877,963 0.877,964 4.875,965 1.415,966 5.844,967 4.978,968 4.419,969 4.92,970 3.005,971 6.73,972 4.322,973 6.145,974 1.024,975 7.461,976 3.66,977 4.369,978 4.966,980 7.917,981 4.234,982 7.499,983 0.478,984 9.178,985 2.697,986 6.146,987 7.146,988 5.032,989 10.935,990 5.977,991 8.88,992 0.129,993 10.949,994 1.262,995 6.792,996 7.875,998 12.849,999 6.591,1000 10.283,1001 -0.401,1002 12.754,1003 0.337,1004 8.165,1005 9.635,1006 7.185,1007 15.472,1008 7.936,1009 11.704,1010 -0.511,1011 14.582,1012 -1.181,1013 9.107,1014 10.692,1016 17.687,1017 8.849,1018 13.139,1019 -0.539,1020 16.426,1021 -1.242,1022 10.342,1023 12.275,1024 9.348,1025 20.183,1026 10.059,1027 3.371,1028 -0.682,1029 18.282,1030 -1.56,1031 11.416,1032 13.505,1034 22.528,1035 11.104,1036 2.984,1037 11.803,1038 20.149,1039 -2,1040 12.608,1041 15.006,1042 11.511,1043 24.985,1044 12.27,1045 2.849,1046 10.283,1047 22.025,1048 4.268,1049 13.743,1050 16.329,1052 27.387,1053 13.376,1054 2.477,1055 8.848,1056 23.907,1057 3.884,1058 14.925,1059 17.793,1060 13.675,1061 29.835,1062 14.531,1063 2.276,1064 7.963,1065 25.796,1066 3.435,1067 16.089,1068 19.167,1070 32.265,1071 15.667,1072 1.996,1073 6.719,1074 27.689,1075 3.059,1076 17.273,1077 20.613,1078 15.838,1079 34.714,1080 16.824,1081 1.741,1082 5.648,1083 29.587,1084 2.859,1085 18.453,1086 22.016,1088 37.157,1089 17.975,1090 6153,1091 10200,1092 16.819,1093 31.983,1094 42.353,1095 44.679,1096 43.409,1097 41.487,1098 41.482,1099 53.176,1100 8.575,1101 128.395,1102 39.319,1103 5.477,1104 6.72,1105 6.26,1106 5.409,1107 5.371,1108 7.268,1109 5.9,1110 19.231,1111 5.27,1112 16.482,1113 1.569,1114 1.655,1115 1.608,1116 1.537,1117 1.536,1118 1.969,1119 0.318,1120 4.755,1121 1.456,1122 4.07,1123 4.094,1124 4.351,1125 4.034,1126 7.398,1127 4.01,1128 3.86,1129 3.914,1130 3.9,1131 3.711,1132 5.291,1133 3.728,1134 3.673,1135 3.706,1136 3.803,1137 3.631,1138 4.979,1139 3.57,1140 3.458,1141 3.484,1142 3.484,1143 3.394,1144 4.769,1145 3.322,1146 3.312,1147 3.388,1148 3.143,1149 3.164,1150 4.457,1151 3.142,1152 3.136,1153 3.235,1154 3.02,1155 2.92,1156 4.321,1157 2.924,1158 2.987,1159 3.106,1160 2.833,1161 2.678,1162 4.03,1163 2.702,1164 2.874,1165 3.009,1166 2.677,1167 2.618,1168 3.784,1169 2.586,1170 0.171,1171 0.175,1172 0.258,1173 0.161,1174 0.125,1175 4.627,1176 0.158,1177 4.72,1178 0.109,1179 6.956,1180 0.437,1181 4.34,1182 0.121,1183 3.371,1184 4.268,1185 2.95,1186 11.803,1187 3.27,1188 2.025,1189 2.007,1190 2.1,1191 2.102,1192 1.332,1193 2.111,1194 1.798,1195 1.753,1196 1.924,1197 1.976,1198 1.121,1199 1.957,1200 1.644,1201 1.613,1202 1.769,1203 1.773,1204 0.93,1205 1.802,1206 1.411,1207 1.379,1208 1.657,1209 1.57,1210 0.805,1211 1.631,1212 1.317,1213 1.251,1214 1.542,1215 1.509,1216 0.659,1217 1.562,1218 1.087,1219 1.004,1220 1.417,1221 1.386,1222 0.469,1223 1.385,1224 0.934,1225 0.804,1226 1.355,1227 1.271,1228 0.387,1229 1.308,1230 0.9,1231 0.785,1232 1.229,1233 1.239,1234 0.213,1235 1.279,1236 4.007,1238 5.389,1240 6.952,1242 8.606,1244 10.313,1246 7.973,1250 11.514,1252 0.556,1253 3.491,1258 -0.179,1262 29.75,1263 77.368,1264 185.166,1265 229.059,1266 235.059,1267 235.059,1268 235.059,1269 48.37,1270 7.194,1271 106.92,1272 126.13,1273 18,1274 12.617,1275 3.907,1276 3.17,1277 41.583,1278 84,1279 88,1280 0.254,1281 189.859,1282 324.9,1283 455.017,1284 11321,1286 18.353,1287 0.734,1288 0.628,1289 18.642,1290 15.699,1291 11.66,1292 0.432,1293 0.354,1294 8.069,1295 10.68,1296 7.505,1297 6.332,1298 12.404,1299 9.571,1300 12.014,1301 0.293,1302 0.203,1303 12.85,1304 8.308,1305 8.806,1306 0.173,1307 0.101,1308 9.426,1309 5.174,1310 7.7,1311 0.11,1312 0.057,1313 8.285,1314 3.975,1315 6.37,1316 0.068,1317 0.032,1318 6.999,1319 2.973,1320 0.387,1321 79.795,1322 0.244,1323 23.725,1324 0.734,1325 136,1326 350.844,1327 171.613,1328 373.432,1329 511.44,1330 344,1331 160,1332 367.945,1333 194.648,1334 403.381,1335 576.98,1336 373,1337 4.252}
{0 CHEMBL293013,1 1.361,2 8.526,3 3.478,4 12.094,5 81.404,6 6.574,7 0.6,8 3.723,9 3.877,10 3.167,11 3.25,12 4.809,13 3.201,14 4.22,15 4.433,16 3.483,17 3.619,18 5.234,19 3.531,20 4.423,21 4.65,22 3.535,23 3.762,24 5.355,25 3.655,26 4.522,27 4.762,28 3.419,29 3.785,30 5.473,31 3.635,32 4.583,33 4.867,34 3.261,35 3.723,36 5.399,37 3.535,38 4.479,39 4.793,40 3.093,41 3.527,42 5.266,43 3.337,44 4.258,45 4.577,46 2.989,47 3.308,48 5.032,49 3.141,50 3.998,51 4.268,52 2.845,53 3.113,54 4.971,55 2.979,56 0.057,57 0.586,58 9.052,59 3.335,60 10.317,61 5.023,62 0.178,63 0.879,64 15.2,65 6.043,66 21.024,67 8.719,68 0.119,69 1.034,70 18.684,71 6.868,72 18.041,73 10.409,74 0.195,75 1.089,76 20.797,77 7.677,78 31.366,79 11.499,80 0.149,81 1.05,82 22.211,83 8.062,84 27.728,85 12.321,86 0.167,87 0.901,88 20.312,89 6.702,90 27.353,91 10.594,92 0.12,93 0.722,94 16.222,95 5.354,96 18.344,97 8.499,98 0.116,99 0.615,100 12.535,101 3.543,102 19.219,103 5.938,104 21,105 27,106 0.246,107 0.587,108 0.742,109 0.792,110 0.811,111 0.838,112 3.01,113 0.992,114 -4.53,115 -4.46,116 -4.2,119 38.5,120 2,121 3,139 3,140 4,142 1,144 1,147 1,157 2,158 2,159 2,166 12,169 1,170 2,172 3,173 3,175 1,178 15,180 1,182 2,187 1,189 16,191 1,193 2,195 1,196 1,197 1,198 2,200 2,201 12,204 2,205 1,207 4,212 3,215 7,218 3,221 4,226 3,229 3,231 3,234 4,239 4,241 1,243 4,246 4,251 4,256 4,260 2,265 3,270 3,273 409,274 12.757,275 12.757,276 12.757,277 12.757,278 12.757,279 11.204,280 17.477,281 7.439,282 12.937,283 9.72,284 9.72,285 9.72,286 9.72,287 9.72,288 7.344,289 19.759,290 3.35,291 10.017,292 3.924,293 2.045,294 1.186,295 0.911,296 0.808,297 0.654,298 3.665,300 1,301 1,302 1,303 331,304 2.449,307 128.291,314 1.235,315 12.61,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 40,327 162,328 4.305,329 3.176,330 6.181,331 3.935,332 2.946,333 3.954,334 0.68,335 9.196,336 2.924,337 4.195,338 3.01,339 6.072,340 3.787,341 2.817,342 3.839,344 8.771,345 2.729,346 3.591,347 2.516,348 5.246,349 3.24,350 2.273,351 2.921,353 6.625,354 2.201,355 3.362,356 2.162,357 4.915,358 2.945,359 1.999,360 2.661,362 5.631,363 1.877,364 2.919,365 1.904,366 4.367,367 2.609,368 1.609,369 2.057,371 4.126,372 1.609,373 2.823,374 1.559,375 4.125,376 2.352,377 1.417,378 1.952,380 3.648,381 1.321,382 1.948,383 0.885,384 3.148,385 1.73,386 0.734,387 0.864,389 1.418,390 0.731,391 1.61,392 0.598,393 2.944,394 1.397,395 0.414,396 0.473,398 0.814,399 0.405,400 1.438,401 0.392,402 2.53,403 1.25,404 0.282,405 0.32,407 0.422,408 0.273,409 0.957,410 -0.131,411 2.359,412 0.666,413 -0.312,414 -0.375,415 -0.61,416 -0.305,417 0.796,418 -0.314,419 2.332,420 0.393,421 -0.515,422 -0.621,423 -1.242,424 -0.466,425 0.596,426 -0.581,427 2.121,428 0.256,429 -0.735,430 -0.878,431 -1.705,432 -0.728,433 0.412,434 -0.801,435 1.685,436 0.063,437 -0.923,438 -1.217,439 -2.51,440 -0.907,441 0.039,442 -1.06,443 1.375,444 -0.294,445 -1.243,446 -1.586,448 -3.387,449 -1.177,450 -0.23,451 -1.299,452 1.19,453 -0.551,454 -1.502,455 -1.886,457 -4.042,458 -1.387,459 9.1,460 0.479,461 0.451,462 0.024,463 24.5,464 1.289,465 13,466 0.684,467 11.5,468 0.605,469 14.501,470 0.763,471 20.9,472 0.536,473 15.223,474 0.801,475 4.565,476 0.24,477 4.57,478 0.241,479 0.198,481 0.33,485 1.16,486 1.222,487 0.975,488 1.043,489 1.328,490 0.998,491 0.381,492 0.887,493 0.803,494 0.986,495 0.395,496 0.947,497 0.889,498 1.14,499 0.974,500 1.088,501 0.771,502 1.048,503 0.877,504 1.097,505 1.208,506 1.259,507 0.912,508 1.267,509 0.728,510 1.085,511 1.022,512 1.152,513 0.756,514 1.124,515 0.864,516 0.927,517 0.894,518 0.921,519 0.858,520 0.912,521 0.684,522 0.947,523 0.698,524 0.832,525 0.647,526 0.777,527 1.439,528 1.306,529 1.175,530 1.156,531 1.403,532 1.141,533 4.5,534 0.029,535 2.222,536 1.25,537 1.227,538 0.417,539 0.384,540 0.28,541 0.132,542 0.097,543 3008,544 6850,545 1.965,546 51.3,547 12,548 3,550 1,551 4,555 1.602,556 1.81,557 3.089,558 1.935,560 1,562 1,564 53.089,565 1.361,566 3.24,567 4.099,568 4.375,569 4.477,570 4.631,571 2.505,572 4.248,573 4.22,574 3.183,575 544.244,576 7.184,577 5359.04,578 1,579 1,581 1,582 206.131,583 1.509,584 4.159,585 0.225,586 0.01,587 0.082,588 0.045,589 0.053,590 0.022,591 0.024,592 0.019,593 0.011,594 0.014,595 0.504,596 0.17,597 1,598 1.039,599 82.542,600 -0.144,601 0.046,602 0.005,603 0.075,604 -0.23,605 0.059,606 0.449,607 0.228,608 0.159,609 0.099,610 0.341,611 0.098,612 -0.052,613 -0.062,614 -0.014,615 -0.027,616 -0.015,617 -0.018,618 -0.014,619 -0.046,620 -0.251,621 -0.223,622 -0.014,623 -0.256,624 -0.008,625 -0.16,626 -0.077,627 -0.143,628 0.008,629 -0.122,630 0.004,631 -0.049,632 0.071,633 0.03,634 0.005,635 0.053,636 0.145,637 -0.091,638 0.266,639 0.121,640 0.161,641 0.193,642 -0.164,643 -0.286,644 -0.172,645 -0.234,646 -0.149,647 -0.208,648 1.447,649 1.865,650 0.632,651 13.186,652 0.987,653 1.136,654 3.3,655 10.891,656 0.644,657 3.045,658 3.332,659 3.555,660 3.738,661 3.912,662 3.829,663 3.829,664 3.871,665 3.85,666 3.738,667 5.009,668 0.597,669 256.39,670 3.045,671 4.554,672 5.38,673 6.236,674 7.079,675 7.937,676 8.785,677 9.643,678 10.494,679 11.351,680 10.3,684 2,690 2,695 4,696 2,700 6,702 12,711 2,718 39,719 12,720 1,721 20,723 40,724 15,725 10,726 3,727 3,729 2,730 2,734 2,739 3,741 10,742 5,754 1,757 20,758 4,759 4,760 4,764 4,769 1,776 1,781 2,802 2,806 2,810 19,811 2,816 3,836 10.5,837 7.4,838 4.389,839 2.536,840 2.254,841 1.366,842 0.97,843 4.254,844 8.422,845 3.296,846 3.892,847 4.425,848 4.929,849 5.442,850 5.479,851 5.657,852 6.008,853 6.324,854 6.561,855 0.833,856 28,857 6.973,859 2.8,860 7.632,861 13.494,863 10.648,865 2.132,866 40.5,867 0.001,870 188.338,871 79.699,872 99.365,877 79.699,878 188.338,879 99.365,880 17.65,881 7.604,882 94.223,883 45.342,884 21.79,885 4.227,886 176.567,888 188.338,889 179.065,893 188.338,897 36.201,898 109.293,899 33.571,901 188.338,902 99.365,903 79.699,906 188.338,907 24.573,908 55.127,910 99.365,911 188.338,912 99.365,913 79.699,915 0.571,916 0.343,917 0.18,918 0.094,919 12,920 6,921 0.1,922 4,924 1,925 3.08,926 131.608,928 12,929 80.711,933 13.66,934 5.917,935 3.165,937 99.365,938 8.294,939 7.99,943 5.638,945 65.794,946 367.403,947 26,956 38.476,957 44.315,958 0.258,959 0.613,960 0.776,961 0.828,962 0.847,963 0.876,964 4.5,965 0.414,966 5.361,967 1.418,968 4.007,969 4.575,970 0.655,971 6.133,972 3.954,973 5.709,974 0.282,975 6.905,976 0.814,977 3.611,978 4.407,980 6.969,981 3.533,982 7.014,983 -0.312,984 8.542,985 0.422,986 5.572,987 6.768,988 0.356,989 9.992,990 5.477,991 8.353,992 -0.515,993 10.231,994 -0.61,995 5.943,996 7.341,998 11.585,999 5.833,1000 9.718,1001 -0.735,1002 11.951,1003 -1.242,1004 7.391,1005 9.208,1006 0.18,1007 14.124,1008 7.265,1009 11.101,1010 -0.923,1011 13.693,1012 -1.705,1013 8.12,1014 10.135,1016 16.043,1017 7.984,1018 12.497,1019 -1.243,1020 15.45,1021 -2.51,1022 9.352,1023 11.777,1024 0.087,1025 18.393,1026 9.202,1027 2.946,1028 -1.502,1029 17.219,1030 -3.387,1031 10.256,1032 12.892,1034 20.462,1035 10.096,1036 2.817,1037 9.196,1038 18.995,1039 -4.042,1040 11.393,1041 14.415,1042 0.041,1043 22.731,1044 11.22,1045 2.273,1046 8.771,1047 20.779,1048 3.954,1049 12.38,1050 15.635,1052 24.871,1053 12.198,1054 1.999,1055 6.625,1056 22.569,1057 3.839,1058 13.476,1059 17.091,1060 0.019,1061 27.104,1062 13.281,1063 1.609,1064 5.631,1065 24.362,1066 2.921,1067 14.503,1068 18.372,1070 29.276,1071 14.3,1072 1.417,1073 4.126,1074 26.159,1075 2.661,1076 15.582,1077 19.79,1078 0.009,1079 31.493,1080 15.367,1081 0.734,1082 3.648,1083 27.96,1084 2.057,1085 16.629,1086 21.105,1088 33.682,1089 16.405,1090 3112,1091 4818,1092 12.83,1093 25.114,1094 28.981,1095 29.236,1096 30.798,1097 29.027,1098 28.981,1099 38.082,1100 1.36,1101 81.3,1102 28.14,1103 5.072,1104 5.176,1105 5.735,1106 5.005,1107 4.946,1108 6.954,1109 1.36,1110 15.554,1111 4.924,1112 10.623,1113 1.449,1114 1.462,1115 1.54,1116 1.451,1117 1.449,1118 1.904,1119 0.068,1120 4.065,1121 1.407,1122 4.008,1123 4.042,1124 3.949,1125 3.949,1126 5.291,1127 3.943,1128 3.829,1129 3.882,1130 3.784,1131 3.678,1132 4.979,1133 3.698,1134 3.419,1135 3.502,1136 3.261,1137 3.273,1138 4.709,1139 3.261,1140 3.408,1141 3.487,1142 3.189,1143 3.256,1144 4.44,1145 3.229,1146 3.133,1147 3.238,1148 2.984,1149 2.903,1150 4.03,1151 2.91,1152 2.972,1153 3.093,1154 2.8,1155 2.669,1156 4.006,1157 2.682,1158 2.798,1159 2.895,1160 2.619,1161 2.611,1162 3.747,1163 2.606,1164 2.745,1165 2.84,1166 2.526,1167 2.531,1168 3.643,1169 2.527,1170 0.215,1171 0.159,1172 0.309,1173 0.197,1174 0.147,1175 4.305,1176 0.198,1177 3.176,1178 0.034,1179 6.181,1180 0.46,1181 3.935,1182 0.146,1183 2.946,1184 3.954,1185 0.68,1186 9.196,1187 2.924,1188 1.987,1189 1.961,1190 2.106,1191 2.07,1192 1.325,1193 2.081,1194 1.766,1195 1.719,1196 1.881,1197 1.948,1198 1.056,1199 1.93,1200 1.452,1201 1.37,1202 1.787,1203 1.659,1204 0.959,1205 1.708,1206 1.421,1207 1.351,1208 1.675,1209 1.614,1210 0.72,1211 1.645,1212 1.086,1213 0.999,1214 1.361,1215 1.392,1216 0.381,1217 1.388,1218 0.891,1219 0.777,1220 1.228,1221 1.261,1222 0.239,1223 1.272,1224 0.808,1225 0.723,1226 1.143,1227 1.059,1228 0.136,1229 1.084,1230 0.739,1231 0.64,1232 1.091,1233 1.003,1235 1.052,1236 3.714,1238 5.004,1240 6.5,1242 8.087,1244 9.718,1246 4.36,1250 11.367,1252 2.852,1262 23.3,1263 53.089,1264 126.356,1265 159.866,1266 170.621,1267 174.621,1268 180.621,1269 26.29,1270 6.168,1271 77.82,1272 77.82,1273 12,1274 11.905,1275 3.7,1276 2.807,1277 33.693,1278 57,1279 52,1280 0.299,1281 149.482,1282 249.7,1283 356.495,1284 3088,1286 13.828,1287 0.728,1288 0.604,1289 13.828,1290 11.48,1291 9.135,1292 0.457,1293 0.331,1294 6.561,1295 8.928,1296 6.316,1297 5.338,1298 9.135,1299 6.612,1300 7.907,1301 0.293,1302 0.171,1303 7.907,1304 4.626,1305 6.542,1306 0.192,1307 0.098,1308 6.542,1309 3.344,1310 5.182,1311 0.126,1312 0.055,1313 5.182,1314 2.254,1315 3.998,1316 0.082,1317 0.03,1318 3.998,1319 1.489,1320 0.462,1321 56.247,1322 0.279,1323 18.97,1324 0.839,1325 94,1326 223.915,1327 100.05,1328 229.334,1329 319.7,1330 214,1331 108,1332 242.972,1333 113.329,1334 251.213,1335 361.74,1336 236,1337 4.229}
{0 CHEMBL293265,1 1.712,2 10.08,3 2.822,4 7.964,5 103.355,6 8.042,7 0.444,8 3.922,9 4.062,10 3.543,11 3.388,12 5.07,13 3.385,14 4.436,15 4.626,16 3.896,17 3.757,18 5.537,19 3.729,20 4.647,21 4.869,22 3.998,23 3.883,24 5.72,25 3.839,26 4.599,27 4.814,28 3.921,29 3.85,30 5.746,31 3.79,32 4.628,33 4.863,34 3.845,35 3.836,36 5.731,37 3.77,38 4.661,39 4.911,40 3.865,41 3.869,42 5.685,43 3.757,44 4.639,45 4.892,46 3.912,47 3.796,48 5.695,49 3.665,50 4.433,51 4.668,52 3.607,53 3.564,54 5.485,55 3.433,56 0.128,57 0.708,58 8.842,59 3.509,60 12.919,61 4.819,62 0.347,63 1.034,64 17.822,65 6.058,66 27.959,67 8.37,68 0.504,69 1.187,70 25.263,71 6.404,72 37.207,73 9.716,74 0.411,75 1.178,76 23.396,77 6.416,78 41.663,79 9.799,80 0.449,81 1.186,82 22.728,83 5.919,84 44.314,85 9.49,86 0.38,87 1.118,88 25.511,89 7.879,90 42.005,91 11.646,92 0.513,93 0.937,94 32.342,95 8.189,96 53.124,97 11.883,98 0.535,99 0.74,100 29.746,101 6.788,102 44.237,103 9.228,104 18,105 37,106 0.297,107 0.662,108 0.802,109 0.836,110 0.836,111 0.836,112 3.267,113 0.936,114 -4.04,115 -3.99,116 -3.77,119 35.6,120 1,121 1,125 4,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 4,172 3,173 3,175 1,178 6,180 1,181 1,182 7,187 1,189 6,191 1,192 1,193 11,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 1,207 8,212 4,215 4,218 4,220 2,221 3,223 1,224 1,226 2,229 1,231 2,233 2,234 5,236 1,237 1,239 2,241 1,243 2,245 2,246 5,248 2,249 2,254 1,260 3,262 1,263 1,265 1,270 1,273 895,274 16.87,275 16.87,276 16.87,277 16.87,278 16.87,279 15.197,280 22.859,281 9.989,282 17.431,283 13.26,284 13.26,285 13.26,286 13.26,287 13.26,288 10.66,289 28.211,290 4.665,291 14.201,292 3.78,293 1.68,294 0.878,295 0.683,296 0.683,297 0.683,298 3.947,299 1,300 1,301 1,302 1,303 533,304 2.646,307 249.897,314 1.523,315 25.127,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 54.833,327 252,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.86,335 11.076,336 3.094,337 4.184,338 3.112,339 6.048,340 3.729,341 2.797,342 3.815,343 0.4,344 8.676,345 2.588,346 3.653,347 2.801,348 5.341,349 3.436,350 2.499,351 3.013,353 6.956,354 2.336,355 3.556,356 2.385,357 5.298,358 3.179,359 2.256,360 2.666,362 6.608,363 2.069,364 3.3,365 2.226,366 5.038,367 2.932,368 1.985,369 2.548,371 5.702,372 1.876,373 3.112,374 2.144,375 4.756,376 2.685,377 1.736,378 2.326,380 4.932,381 1.641,382 2.96,383 1.952,384 4.238,385 2.509,386 1.607,387 2.076,389 3.985,390 1.403,391 2.586,392 1.791,393 3.629,394 2.31,395 1.414,396 1.563,398 3.106,399 1.25,400 2.136,401 1.256,402 3.328,403 1.952,404 1,405 1,407 2.136,408 0.946,409 2,410 0.844,411 3.247,412 1.605,413 0.658,414 0.908,415 1.516,416 0.609,417 1.748,418 0.697,419 3.137,420 1.538,421 0.563,422 0.644,423 1.109,424 0.544,425 1.389,426 0.425,427 2.749,428 1.048,429 0.141,430 0.167,431 0.275,432 0.118,433 1.088,434 0.031,435 2.487,436 0.694,437 -0.2,438 -0.237,439 -0.502,440 -0.164,441 0.825,442 -0.305,443 2.42,444 0.439,445 -0.478,446 -0.586,448 -1.148,449 -0.437,450 0.691,451 -0.36,452 2.247,453 0.345,454 -0.582,455 -0.676,457 -1.377,458 -0.511,459 11.848,460 0.474,461 0.592,462 0.024,463 31.5,464 1.26,465 15,466 0.6,467 16.5,468 0.66,469 20.744,470 0.83,471 27.752,472 0.617,473 23.049,474 0.922,475 6.159,476 0.246,477 5.921,478 0.237,479 0.17,481 0.329,485 0.851,486 1.31,487 0.656,488 1.023,489 1.022,490 0.93,491 0.991,492 1.051,493 0.689,494 0.877,495 0.629,496 0.854,497 1.198,498 1.092,499 0.904,500 0.807,501 0.987,502 0.826,503 0.841,504 1.295,505 0.994,506 1.139,507 0.87,508 1.098,509 0.975,510 1.151,511 0.882,512 0.952,513 1.29,514 1.033,515 0.731,516 1.028,517 0.857,518 0.988,519 0.976,520 1.026,521 0.789,522 0.928,523 1.264,524 1.151,525 0.847,526 1.041,527 1.264,528 0.833,529 1.892,530 1.349,531 1.269,532 1.205,533 5,534 0.083,535 2.667,536 2,537 1.489,538 0.938,539 0.609,540 0.33,541 0.295,542 0.1,543 6805,544 20342,545 2.038,546 44.4,547 3,548 11,551 4,552 2,555 1.682,556 1.899,557 3.293,558 1.855,559 1,560 1,564 77.043,565 1.712,566 3.812,567 4.614,568 4.808,569 4.808,570 4.808,571 2.713,572 4.214,573 4.615,574 3.445,575 1033.49,576 7.993,577 12469.3,579 1,581 1,582 247.133,583 1.44,584 4.569,585 0.185,586 0.006,587 0.072,588 0.051,589 0.041,590 0.028,591 0.02,592 0.012,593 0.014,594 0.006,595 0.435,596 0.17,597 1,598 0.795,599 120.165,600 -0.021,601 -0.001,602 0.019,603 -0.005,604 -0.144,605 0.019,606 0.025,607 0.077,608 0.096,609 0.115,610 0.156,611 0.104,612 -0.156,613 -0.028,614 0.02,615 0.147,616 -0.079,617 0.113,618 -0.002,619 -0.181,620 -0.091,621 -0.167,622 0.075,623 -0.144,624 -0.148,625 -0.042,626 -0.11,627 -0.046,628 -0.235,629 -0.111,630 0.021,631 -0.026,632 0.062,633 0.011,634 -0.053,635 -0.02,636 0.176,637 -0.041,638 0.102,639 -0.059,640 0.172,641 0.009,642 -0.004,643 0.042,644 -0.264,645 -0.227,646 -0.101,647 -0.174,648 1.501,649 2.149,650 0.72,651 20.992,652 1.012,653 1.146,654 2.806,655 7.873,656 0.66,657 3.332,658 3.638,659 3.892,660 4.143,661 4.344,662 4.357,663 4.407,664 4.443,665 4.5,666 4.477,667 5.964,668 0.631,669 361.88,670 3.332,671 4.86,672 5.7,673 6.572,674 7.431,675 8.309,676 9.175,677 10.057,678 10.927,679 11.812,680 15.6,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 45,719 13,720 1,721 27,723 47,724 16,725 10,726 3,727 3,729 3,730 3,731 1,734 1,739 1,741 10,742 6,744 1,750 2,753 1,754 1,757 20,758 8,759 4,760 9,761 1,764 7,769 1,770 1,776 1,781 3,801 1,802 3,806 1,807 1,810 25,811 2,816 5,818 1,821 1,828 1,829 2.2,833 1,836 13.167,837 8.226,838 5.611,839 2.718,840 2.834,841 1.404,842 0.972,843 5.683,844 9.851,845 3.555,846 4.127,847 4.696,848 5.268,849 5.803,850 6.09,851 6.43,852 6.764,853 7.093,854 7.323,855 0.857,856 39,857 9.172,859 3.803,860 7.771,861 17.377,863 13.796,865 2.271,866 56.778,869 1,870 188.338,871 72.797,872 135.571,873 39.149,874 11,877 72.797,878 238.486,879 135.571,880 8.825,881 18.933,882 94.223,883 44.571,884 15.385,885 37.431,886 188.338,887 39.149,888 188.338,889 208.368,890 11,891 39.149,893 188.338,895 11,897 32.414,898 109.18,899 105.923,901 188.338,902 146.571,903 111.946,906 188.338,907 35.543,908 40.256,910 182.717,911 188.338,912 146.571,913 111.946,915 0.575,916 0.34,917 0.187,918 0.102,919 17,920 8,921 0.085,922 4,924 1,925 3.651,926 203.145,928 18,929 112.096,933 17.862,934 7.954,935 4.181,937 146.571,938 5.455,939 8.343,943 3.925,945 65.794,946 446.854,947 34,953 8.515,956 45.549,957 51.548,958 0.312,959 0.694,960 0.84,961 0.876,962 0.876,963 0.876,964 4.787,965 1.414,966 5.68,967 3.985,968 4.317,969 4.812,970 1.029,971 6.479,972 4.193,973 5.983,974 1,975 7.232,976 3.106,977 3.892,978 4.62,980 7.372,981 3.696,982 7.283,983 0.658,984 8.885,985 2.136,986 5.894,987 6.983,988 0.763,989 10.475,990 5.681,991 8.621,992 0.563,993 10.598,994 1.516,995 6.275,996 7.607,998 12.226,999 6.012,1000 9.991,1001 0.141,1002 12.351,1003 1.109,1004 7.754,1005 9.46,1006 0.597,1007 14.859,1008 7.472,1009 11.385,1010 -0.2,1011 14.133,1012 0.275,1013 8.523,1014 10.479,1016 16.983,1017 8.211,1018 12.798,1019 -0.478,1020 15.937,1021 -0.502,1022 9.788,1023 12.111,1024 0.47,1025 19.458,1026 9.455,1027 3.171,1028 -0.582,1029 17.758,1030 -1.148,1031 10.748,1032 13.331,1034 21.743,1035 10.394,1036 2.797,1037 11.076,1038 19.594,1039 -1.377,1040 11.927,1041 14.86,1042 0.367,1043 24.164,1044 11.553,1045 2.499,1046 8.676,1047 21.441,1048 4.257,1049 12.979,1050 16.184,1052 26.516,1053 12.589,1054 2.256,1055 6.956,1056 23.299,1057 3.815,1058 14.126,1059 17.663,1060 0.283,1061 28.922,1062 13.717,1063 1.985,1064 6.608,1065 25.164,1066 3.013,1067 15.223,1068 19.04,1070 31.302,1071 14.799,1072 1.736,1073 5.702,1074 27.037,1075 2.666,1076 16.361,1077 20.496,1078 0.217,1079 33.703,1080 15.919,1081 1.607,1082 4.932,1083 28.915,1084 2.548,1085 17.481,1086 21.901,1088 36.096,1089 17.022,1090 6674,1091 11679,1092 17.8,1093 29.682,1094 40.095,1095 40.524,1096 41.382,1097 39.829,1098 39.655,1099 49.968,1100 2.52,1101 112.152,1102 36.948,1103 5.535,1104 5.278,1105 6.572,1106 5.25,1107 5.171,1108 7.257,1109 1.72,1110 17.964,1111 5.094,1112 12.561,1113 1.485,1114 1.501,1115 1.533,1116 1.475,1117 1.469,1118 1.851,1119 0.093,1120 4.154,1121 1.368,1122 4.015,1123 4.049,1124 4.055,1125 3.935,1126 5.287,1127 3.939,1128 3.794,1129 3.857,1130 3.824,1131 3.63,1132 5.041,1133 3.645,1134 3.731,1135 3.777,1136 3.655,1137 3.52,1138 4.975,1139 3.538,1140 3.392,1141 3.485,1142 3.294,1143 3.193,1144 4.743,1145 3.185,1146 3.155,1147 3.245,1148 3.204,1149 2.941,1150 4.542,1151 2.932,1152 3.111,1153 3.206,1154 3.084,1155 2.906,1156 4.465,1157 2.91,1158 3.077,1159 3.182,1160 2.9,1161 2.818,1162 4.217,1163 2.837,1164 2.875,1165 2.959,1166 2.866,1167 2.621,1168 3.965,1169 2.64,1170 0.168,1171 0.121,1172 0.251,1173 0.154,1174 0.117,1175 4.535,1176 0.158,1177 3.278,1178 0.032,1179 6.77,1180 0.41,1181 4.146,1182 0.115,1183 3.171,1184 4.257,1185 0.86,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.024,1191 2.065,1192 1.191,1193 2.054,1194 1.716,1195 1.669,1196 1.906,1197 1.961,1198 1.174,1199 1.943,1200 1.668,1201 1.611,1202 1.847,1203 1.846,1204 1.004,1205 1.847,1206 1.381,1207 1.296,1208 1.615,1209 1.633,1210 0.825,1211 1.652,1212 1.153,1213 1.064,1214 1.513,1215 1.381,1216 0.596,1217 1.429,1218 1.026,1219 0.953,1220 1.267,1221 1.376,1222 0.237,1223 1.358,1224 0.968,1225 0.892,1226 1.173,1227 1.322,1228 0.178,1229 1.272,1230 0.813,1231 0.716,1232 1.121,1233 1.099,1234 0.127,1235 1.118,1236 4.007,1238 5.313,1240 6.823,1242 8.429,1244 10.085,1246 1.986,1247 6.261,1250 11.762,1252 3.385,1254 5.293,1257 1.852,1262 28.38,1263 77.043,1264 171.518,1265 207.624,1266 216.379,1267 216.379,1268 216.379,1269 40.766,1270 7.017,1271 115.01,1272 115.01,1273 18,1274 12.348,1275 3.807,1276 3,1277 41.678,1278 89,1279 92,1280 0.231,1281 181.465,1282 309,1283 434.535,1284 9936,1285 2.2,1286 17.811,1287 0.712,1288 0.588,1289 18.311,1290 14.7,1291 12.08,1292 0.447,1293 0.312,1294 7.929,1295 11.209,1296 7.735,1297 6.385,1298 12.368,1299 8.421,1300 10.691,1301 0.289,1302 0.161,1303 11.062,1304 5.971,1305 8.823,1306 0.184,1307 0.087,1308 9.203,1309 4.185,1310 7.444,1311 0.12,1312 0.045,1313 7.679,1314 2.771,1315 5.864,1316 0.077,1317 0.024,1318 6.106,1319 1.846,1320 0.358,1321 79.568,1322 0.237,1323 24.178,1324 0.644,1325 128,1326 398.789,1327 158.36,1328 415.659,1329 560.89,1330 388,1331 149,1332 398.93,1333 175.988,1334 409.339,1335 595.5,1336 385,1337 5.959}
{0 CHEMBL293321,1 1.571,2 10.08,3 4.052,4 16.415,5 106.421,6 7.658,7 0.444,8 3.946,9 4.096,10 3.529,11 3.448,12 5.051,13 3.421,14 4.468,15 4.672,16 3.887,17 3.838,18 5.509,19 3.776,20 4.732,21 4.98,22 3.996,23 3.959,24 5.726,25 3.884,26 4.685,27 4.925,28 3.918,29 3.891,30 5.765,31 3.816,32 4.646,33 4.884,34 3.84,35 3.854,36 5.731,37 3.784,38 4.679,39 4.932,40 3.862,41 3.89,42 5.694,43 3.773,44 4.65,45 4.907,46 3.902,47 3.837,48 5.682,49 3.692,50 4.461,51 4.704,52 3.57,53 3.659,54 5.442,55 3.496,56 0.094,57 0.747,58 9.875,59 3.793,60 11.649,61 5.471,62 0.212,63 1.121,64 18.84,65 6.759,66 22.856,67 9.824,68 0.316,69 1.295,70 28.358,71 7.558,72 33.506,73 11.9,74 0.34,75 1.248,76 27.153,77 7.059,78 42.237,79 11.121,80 0.343,81 1.226,82 24.039,83 5.94,84 42.182,85 9.809,86 0.311,87 1.16,88 26.583,89 7.942,90 41.413,91 11.925,92 0.434,93 0.99,94 32.705,95 8.468,96 50.413,97 12.361,98 0.365,99 0.815,100 29.318,101 7.374,102 36.936,103 10.245,104 18,105 37,106 0.27,107 0.631,108 0.784,109 0.836,110 0.836,111 0.836,112 3.267,113 0.983,114 -5.02,115 -4.92,116 -4.61,119 36.2,120 1,121 4,125 2,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 7,169 2,170 6,172 3,173 3,175 1,178 7,180 1,182 10,187 1,189 6,191 1,193 14,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,207 9,212 4,215 4,218 4,220 2,221 3,223 1,224 1,226 2,229 3,231 2,233 2,234 4,236 1,237 1,239 2,241 8,243 2,245 2,246 2,248 2,249 2,254 8,260 1,262 1,263 1,265 1,268 2,270 1,273 895,274 16.87,275 16.87,276 16.87,277 16.87,278 16.87,279 15.197,280 22.082,281 9.989,282 17.272,283 13.26,284 13.26,285 13.26,286 13.26,287 13.26,288 10.66,289 27.31,290 4.665,291 13.98,292 3.984,293 1.891,294 1,295 0.697,296 0.697,297 0.697,298 3.947,299 1,300 1,301 1,302 1,303 533,304 2.646,307 249.897,314 1.523,315 21.964,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 53.833,327 252,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.4,335 11.076,336 3.094,337 4.184,338 3.111,339 6.048,340 3.729,341 2.797,342 3.815,344 8.676,345 2.59,346 3.653,347 2.727,348 5.341,349 3.448,350 2.499,351 3.013,353 6.956,354 2.365,355 3.556,356 2.385,357 5.298,358 3.18,359 2.256,360 2.666,362 6.608,363 2.072,364 3.3,365 2.226,366 5.038,367 2.932,368 1.985,369 2.548,371 5.702,372 1.876,373 3.112,374 1.976,375 4.756,376 2.689,377 1.736,378 2.326,380 4.932,381 1.65,382 2.96,383 1.823,384 4.238,385 2.556,386 1.607,387 2.076,389 3.985,390 1.505,391 2.586,392 1.483,393 3.629,394 2.379,395 1.414,396 1.563,398 3.106,399 1.325,400 2.136,401 1.077,402 3.328,403 1.984,404 1,405 1,407 2.136,408 0.983,409 2,410 0.839,411 3.247,412 1.623,413 0.658,414 0.908,415 1.516,416 0.623,417 1.748,418 0.672,419 3.137,420 1.54,421 0.563,422 0.644,423 1.109,424 0.545,425 1.389,426 0.411,427 2.749,428 1.05,429 0.141,430 0.167,431 0.275,432 0.118,433 1.088,434 0.027,435 2.487,436 0.705,437 -0.2,438 -0.237,439 -0.502,440 -0.165,441 0.825,442 -0.305,443 2.42,444 0.44,445 -0.478,446 -0.586,448 -1.148,449 -0.437,450 0.691,451 -0.426,452 2.247,453 0.36,454 -0.582,455 -0.676,457 -1.377,458 -0.522,459 12.014,460 0.481,461 0.592,462 0.024,463 31,464 1.24,465 15,466 0.6,467 16,468 0.64,469 21.971,470 0.879,471 27.586,472 0.587,473 21.822,474 0.873,475 5.66,476 0.226,477 6.419,478 0.257,479 0.168,481 0.325,485 0.8,486 1.258,487 0.687,488 0.987,489 0.995,490 0.944,491 0.605,492 1.108,493 0.669,494 0.979,495 0.418,496 0.943,497 1.077,498 1.124,499 0.833,500 0.872,501 0.835,502 0.849,503 1.089,504 1.208,505 0.954,506 1.028,507 0.906,508 0.987,509 1.354,510 1.166,511 0.919,512 0.933,513 1.482,514 1.007,515 0.959,516 1,517 0.892,518 0.946,519 1.102,520 0.994,521 0.9,522 0.911,523 1.291,524 1.122,525 0.901,526 1.029,527 1.387,528 0.863,529 1.909,530 1.318,531 1.336,532 1.224,533 5,534 0.083,535 2.667,536 2,537 1.489,538 0.938,539 0.609,540 0.33,541 0.295,542 0.1,543 6805,544 17686,545 2.038,546 46.8,547 5,548 7,551 4,552 2,553 4,555 1.682,556 1.899,557 3.293,558 1.815,560 1,564 73.82,565 1.571,566 3.664,567 4.554,568 4.858,569 4.858,570 4.858,571 2.713,572 4.214,573 4.615,574 3.445,575 1033.49,576 7.993,577 12469.3,579 1,581 1,582 261.066,583 1.44,584 4.569,585 0.185,586 0.006,587 0.072,588 0.051,589 0.041,590 0.028,591 0.02,592 0.012,593 0.014,594 0.006,595 0.435,597 1,598 0.795,599 120.165,600 0.031,601 0.055,602 0.018,603 0.039,604 -0.096,605 0.034,606 0.215,607 0.042,608 0.111,609 0.033,610 0.28,611 0.048,612 -0.074,613 -0.088,614 0.089,615 0.089,616 0.036,617 0.113,618 -0.033,619 -0.151,620 -0.022,621 -0.08,622 0.099,623 -0.041,624 -0.269,625 -0.051,626 -0.121,627 -0.045,628 -0.288,629 -0.104,630 -0.007,631 0.009,632 0.043,633 0.034,634 -0.077,635 -0.017,636 0.232,637 -0.008,638 0.087,639 -0.036,640 0.178,641 0.002,642 -0.083,643 0.049,644 -0.299,645 -0.191,646 -0.173,647 -0.19,648 1.489,649 2.174,650 0.72,651 20.992,652 1.002,653 1.144,654 3.792,655 14.377,656 0.659,657 3.332,658 3.638,659 3.892,660 4.143,661 4.344,662 4.357,663 4.407,664 4.443,665 4.5,666 4.477,667 5.964,668 0.621,669 359.91,670 3.332,671 4.86,672 5.7,673 6.572,674 7.431,675 8.309,676 9.175,677 10.057,678 10.927,679 11.812,680 14.9,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 47,719 13,720 1,721 27,723 49,724 17,725 10,726 3,727 3,729 3,730 3,731 1,734 1,736 3,739 4,741 10,742 7,744 1,750 2,754 1,757 22,758 7,759 4,760 8,761 1,764 7,769 1,776 1,781 3,802 3,806 1,807 1,810 25,811 2,816 6,821 1,828 1,836 13.167,837 8.56,838 5.611,839 3.052,840 2.834,841 1.404,842 0.979,843 5.714,844 9.851,845 3.555,846 4.127,847 4.696,848 5.268,849 5.803,850 6.09,851 6.43,852 6.764,853 7.093,854 7.323,855 0.857,856 39,857 9.193,859 3.82,860 7.691,861 17.659,863 14.256,865 2.191,866 54.778,869 1,870 211.88,871 71.216,872 135.571,873 39.149,877 71.216,878 251.028,879 135.571,880 8.825,881 17.351,882 94.223,883 33.571,884 15.385,885 37.431,886 211.88,887 39.149,888 211.88,889 206.786,891 39.149,893 164.795,894 47.084,897 30.832,898 109.18,899 105.923,901 211.88,902 135.571,903 110.364,906 211.88,907 33.962,908 40.256,910 171.718,911 211.88,912 135.571,913 110.364,915 0.575,916 0.34,917 0.187,918 0.102,919 17,920 8,921 0.082,922 4,924 1,925 3.651,926 203.145,928 18,929 112.096,933 17.899,934 7.98,935 4.197,937 135.571,938 5.531,939 8.371,943 4.087,945 65.794,946 457.815,947 34,953 8.651,956 47.105,957 53.754,958 0.283,959 0.66,960 0.82,961 0.875,962 0.875,963 0.875,964 4.787,965 1.414,966 5.68,967 3.985,968 4.317,969 4.812,970 0.278,971 6.479,972 4.216,973 5.983,974 1,975 7.232,976 3.106,977 3.892,978 4.62,980 7.372,981 3.696,982 7.283,983 0.658,984 8.885,985 2.136,986 5.894,987 6.983,988 0.05,989 10.475,990 5.707,991 8.621,992 0.563,993 10.598,994 1.516,995 6.275,996 7.607,998 12.226,999 6.012,1000 9.991,1001 0.141,1002 12.351,1003 1.109,1004 7.754,1005 9.46,1006 0.008,1007 14.859,1008 7.495,1009 11.385,1010 -0.2,1011 14.133,1012 0.275,1013 8.523,1014 10.479,1016 16.983,1017 8.213,1018 12.798,1019 -0.478,1020 15.937,1021 -0.502,1022 9.788,1023 12.111,1024 0.001,1025 19.458,1026 9.471,1027 3.171,1028 -0.582,1029 17.758,1030 -1.148,1031 10.748,1032 13.331,1034 21.743,1035 10.398,1036 2.797,1037 11.076,1038 19.594,1039 -1.377,1040 11.927,1041 14.86,1043 24.164,1044 11.564,1045 2.499,1046 8.676,1047 21.441,1048 4.257,1049 12.979,1050 16.184,1052 26.516,1053 12.593,1054 2.256,1055 6.956,1056 23.299,1057 3.815,1058 14.126,1059 17.663,1061 28.922,1062 13.725,1063 1.985,1064 6.608,1065 25.164,1066 3.013,1067 15.223,1068 19.04,1070 31.302,1071 14.802,1072 1.736,1073 5.702,1074 27.037,1075 2.666,1076 16.361,1077 20.496,1079 33.703,1080 15.924,1081 1.607,1082 4.932,1083 28.915,1084 2.548,1085 17.481,1086 21.901,1088 36.096,1089 17.025,1090 6674,1091 10939,1092 17.8,1093 30.989,1094 40.095,1095 40.252,1096 41.382,1097 39.846,1098 39.655,1099 49.968,1100 0.8,1101 112.152,1102 37.491,1103 5.535,1104 5.278,1105 6.572,1106 5.216,1107 5.171,1108 7.257,1109 0.8,1110 17.964,1111 5.094,1112 12.561,1113 1.485,1114 1.491,1115 1.533,1116 1.476,1117 1.469,1118 1.851,1119 0.03,1120 4.154,1121 1.389,1122 4.016,1123 4.052,1124 4.055,1125 3.936,1126 5.287,1127 3.94,1128 3.832,1129 3.903,1130 3.824,1131 3.665,1132 5.038,1133 3.665,1134 3.751,1135 3.796,1136 3.692,1137 3.625,1138 4.975,1139 3.632,1140 3.392,1141 3.485,1142 3.295,1143 3.194,1144 4.719,1145 3.185,1146 3.208,1147 3.307,1148 3.204,1149 2.941,1150 4.465,1151 2.964,1152 3.111,1153 3.206,1154 3.127,1155 2.928,1156 4.237,1157 2.91,1158 3.095,1159 3.206,1160 2.903,1161 2.856,1162 4.151,1163 2.871,1164 2.881,1165 2.97,1166 2.866,1167 2.699,1168 3.965,1169 2.691,1170 0.168,1171 0.121,1172 0.251,1173 0.154,1174 0.117,1175 4.535,1176 0.158,1177 3.278,1178 0.015,1179 6.77,1180 0.41,1181 4.146,1182 0.115,1183 3.171,1184 4.257,1185 0.4,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.041,1191 2.067,1192 1.387,1193 2.057,1194 1.805,1195 1.738,1196 2.018,1197 2.001,1198 1.189,1199 2.011,1200 1.702,1201 1.66,1202 1.85,1203 1.854,1204 1.004,1205 1.853,1206 1.382,1207 1.297,1208 1.615,1209 1.633,1210 0.825,1211 1.653,1212 1.153,1213 1.064,1214 1.513,1215 1.422,1216 0.6,1217 1.429,1218 1.091,1219 1,1220 1.348,1221 1.376,1222 0.581,1223 1.396,1224 1,1225 0.919,1226 1.267,1227 1.364,1228 0.182,1229 1.35,1230 0.874,1231 0.798,1232 1.142,1233 1.109,1234 0.128,1235 1.121,1236 4.007,1238 5.313,1240 6.823,1242 8.429,1244 10.085,1246 1.998,1247 6.285,1250 11.786,1252 6.092,1257 1.977,1262 29.192,1263 73.82,1264 172.198,1265 214.046,1266 228.311,1267 228.311,1268 228.311,1269 41.204,1270 7.017,1271 105.78,1272 105.78,1273 18,1274 12.348,1275 3.807,1276 3,1277 41.678,1278 89,1279 92,1280 0.231,1281 187.061,1282 317.51,1283 448.189,1284 9936,1285 2.1,1286 17.811,1287 0.712,1288 0.6,1289 18.311,1290 14.999,1291 12.08,1292 0.447,1293 0.328,1294 8.391,1295 11.354,1296 8.174,1297 6.805,1298 12.368,1299 8.843,1300 10.691,1301 0.289,1302 0.173,1303 11.062,1304 6.419,1305 8.823,1306 0.184,1307 0.094,1308 9.203,1309 4.53,1310 7.444,1311 0.12,1312 0.05,1313 7.679,1314 3.095,1315 5.864,1316 0.077,1317 0.028,1318 6.106,1319 2.116,1320 0.358,1321 78.568,1322 0.237,1323 24.178,1324 0.644,1325 128,1326 355.053,1327 155.481,1328 382.674,1329 521.53,1330 356,1331 149,1332 379.294,1333 173.219,1334 391.716,1335 569.02,1336 369,1337 4.175}
{0 CHEMBL293325,1 1.592,2 8.619,3 1.763,4 3.107,5 82.504,6 7.815,7 0.739,8 3.705,9 3.834,10 3.307,11 3.221,12 4.924,13 3.226,14 4.162,15 4.328,16 3.643,17 3.582,18 5.344,19 3.567,20 4.319,21 4.486,22 3.701,23 3.71,24 5.45,25 3.675,26 4.432,27 4.65,28 3.585,29 3.691,30 5.522,31 3.618,32 4.417,33 4.644,34 3.438,35 3.623,36 5.424,37 3.533,38 4.318,39 4.559,40 3.291,41 3.504,42 5.302,43 3.397,44 4.251,45 4.53,46 3.279,47 3.325,48 5.266,49 3.229,50 3.95,51 4.182,52 3.1,53 3.068,54 5.155,55 3.02,56 0.059,57 0.574,58 6.849,59 2.759,60 11.028,61 3.572,62 0.222,63 0.852,64 12.292,65 4.83,66 22.765,67 6.235,68 0.18,69 0.989,70 13.998,71 5.366,72 19.466,73 7.219,74 0.236,75 1.019,76 17.444,77 6.191,78 33.766,79 8.591,80 0.274,81 0.945,82 18.174,83 6.211,84 32.332,85 8.536,86 0.196,87 0.868,88 16.311,89 5.553,90 27.016,91 7.978,92 0.3,93 0.75,94 16.996,95 5.447,96 29.844,97 8.294,98 0.217,99 0.628,100 11.178,101 3.185,102 25.476,103 4.609,104 11,105 32,106 0.287,107 0.663,108 0.809,109 0.879,110 0.879,111 0.879,112 3.104,113 0.842,114 -3.08,115 -3.08,116 -2.96,119 41.7,121 1,124 1,139 4,140 3,141 1,142 2,143 1,144 1,147 1,157 2,158 2,159 2,166 7,169 1,170 5,172 3,173 3,175 1,178 7,180 1,181 1,182 7,187 1,189 6,191 1,193 6,195 1,196 1,197 1,198 2,200 2,201 4,204 2,205 1,207 7,212 3,215 3,218 3,221 3,226 2,229 1,231 2,233 2,234 2,236 1,237 1,239 3,243 3,245 2,246 2,248 1,249 1,251 2,256 2,262 1,263 1,265 1,270 1,273 532,274 14.248,275 14.248,276 14.248,277 14.248,278 14.248,279 12.16,280 16.082,281 8.372,282 14.66,283 11.303,284 11.303,285 11.303,286 11.303,287 11.303,288 8.17,289 22.167,290 3.909,291 11.873,292 3.578,293 1.497,294 0.688,295 0.299,296 0.299,297 0.299,298 3.785,300 1,301 1,302 1,303 388,304 2.345,307 163.345,311 86.213,314 1.197,315 17.305,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 45.5,327 181,328 4.536,329 3.242,330 6.535,331 4.061,332 3.087,333 4.473,334 0.86,335 10.331,336 3.009,337 4.237,338 3.041,339 6.088,340 3.817,341 2.858,342 3.887,343 0.68,344 8.844,345 2.744,346 3.654,347 2.51,348 5.284,349 3.253,350 2.29,351 3.076,353 6.736,354 2.206,355 3.492,356 2.353,357 5.208,358 3.052,359 2.099,360 2.876,362 6.229,363 1.991,364 3.383,365 2.152,366 4.922,367 2.945,368 2.004,369 2.705,371 5.656,372 1.875,373 2.905,374 1.574,375 4.151,376 2.404,377 1.455,378 2.094,380 3.692,381 1.382,382 2.814,383 1.406,384 3.863,385 2.325,386 1.37,387 1.944,389 3.09,390 1.302,391 2.51,392 1.346,393 3.599,394 2.039,395 1.112,396 1.514,398 2.683,399 1.024,400 1.633,401 0.801,402 3.034,403 1.323,404 0.409,405 0.473,407 0.891,408 0.367,409 1.602,410 0.583,411 2.861,412 1.262,413 0.342,414 0.425,415 0.612,416 0.316,417 1.102,418 -0.059,419 2.42,420 0.701,421 -0.254,422 -0.331,423 -0.607,424 -0.242,425 0.891,426 -0.314,427 2.359,428 0.405,429 -0.514,430 -0.621,431 -1.242,432 -0.466,433 0.798,434 -0.321,435 2.324,436 0.392,437 -0.563,438 -0.772,439 -1.443,440 -0.541,441 0.561,442 -0.647,443 2,444 0.193,445 -0.765,446 -1.02,448 -1.963,449 -0.729,450 0.438,451 -0.843,452 1.906,453 -0.036,454 -1,455 -1.385,457 -2.424,458 -0.954,459 9.833,460 0.468,461 0.503,462 0.024,463 31.5,464 1.5,465 17.5,466 0.833,467 14,468 0.667,469 12.712,470 0.605,471 21.967,472 0.61,473 21.126,474 1.006,475 6.372,476 0.303,477 3.797,478 0.181,479 0.132,481 0.356,485 1.048,486 1.217,487 0.783,488 0.966,489 1.232,490 0.843,491 0.979,492 0.829,493 0.765,494 0.826,495 0.649,496 0.788,497 0.966,498 1.221,499 0.998,500 1.144,501 0.877,502 1.087,503 0.95,504 0.975,505 1.071,506 1.117,507 0.936,508 1.109,509 1.289,510 0.975,511 1.146,512 1.04,513 1.082,514 1.078,515 0.959,516 1.092,517 1.136,518 1.172,519 1.085,520 1.179,521 0.498,522 0.969,523 0.628,524 0.876,525 0.443,526 0.801,527 1.206,528 1.178,529 1.118,530 1.101,531 1.251,532 1.098,533 4.5,534 0.025,535 2.222,536 1.563,537 1.32,538 0.472,539 0.526,540 0.267,541 0.152,542 0.129,543 4183,544 12123,545 2.074,546 41.7,547 2,548 7,550 2,551 4,555 1.633,556 1.938,557 3.091,558 1.921,559 1,560 1,562 1,564 57.301,565 1.592,566 3.673,567 4.482,568 4.871,569 4.871,570 4.871,571 2.475,572 4.107,573 4.367,574 3.197,575 671.433,576 7.487,577 7022.83,578 1,579 1,581 1,582 186.117,583 1.418,584 4.322,585 0.196,586 0.006,587 0.069,588 0.047,589 0.047,590 0.02,591 0.026,592 0.013,593 0.009,594 0.014,595 0.449,596 0.5,597 1,598 0.819,599 93.966,600 -0.158,601 -0.042,602 0.018,603 0.035,604 -0.272,605 0.061,606 0.072,607 0.248,608 0.118,609 0.182,610 0.168,611 0.15,612 -0.064,613 -0.137,614 -0.139,615 -0.145,616 -0.091,617 -0.151,618 -0.053,619 0.027,620 -0.137,621 -0.132,622 -0.013,623 -0.141,624 -0.221,625 -0.044,626 -0.169,627 -0.04,628 -0.172,629 -0.09,630 -0.123,631 -0.147,632 -0.171,633 -0.184,634 -0.202,635 -0.182,636 0.429,637 -0.136,638 0.434,639 0.127,640 0.443,641 0.251,642 -0.02,643 -0.161,644 -0.121,645 -0.212,646 -0.027,647 -0.199,648 1.489,649 1.91,650 0.762,651 14.444,652 1.007,653 1.133,654 1.851,655 3.427,656 0.675,657 3.178,658 3.497,659 3.761,660 4.025,661 4.263,662 4.248,663 4.344,664 4.431,665 4.511,666 4.431,667 5.104,668 0.652,669 281.35,670 3.178,671 4.71,672 5.557,673 6.435,674 7.299,675 8.18,676 9.051,677 9.932,678 10.806,679 11.688,680 13.9,684 2,690 3,694 2,695 6,696 3,700 5,702 17,711 2,716 1,718 36,719 17,720 1,721 23,723 38,724 15,725 13,726 4,727 2,729 3,730 4,739 1,741 13,742 2,753 1,754 1,757 15,758 6,759 4,760 6,764 5,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 1,810 21,811 2,816 1,818 1,829 2.8,834 1,836 10.833,837 6.683,838 4.667,839 1.868,840 3.386,841 1.497,842 1.011,843 3.585,844 10.205,845 3.481,846 4.143,847 4.764,848 5.382,849 5.974,850 6.203,851 6.579,852 7.008,853 7.425,854 7.555,855 0.833,856 33,857 7.666,859 3.191,860 7.77,861 14.455,863 11.523,865 2.27,866 47.667,870 129.482,871 89.976,872 116.151,874 11,877 89.976,878 140.482,879 116.151,880 10.883,881 2.535,882 103.699,883 73.899,884 45.426,885 4.227,886 105.94,888 129.482,889 206.127,890 11,893 129.482,894 11,897 24.673,898 131.098,899 50.357,901 129.482,902 127.151,903 89.976,906 129.482,907 23.093,908 66.883,910 127.151,911 129.482,912 127.151,913 89.976,915 0.578,916 0.343,917 0.191,918 0.107,919 16,920 7,921 0.079,922 3,923 1,924 1.125,925 3.306,926 162.081,927 0.125,928 16,929 92.239,933 13.587,934 5.542,935 2.735,936 1.854,937 127.151,938 11.295,939 12.298,943 3.184,945 65.794,946 346.609,947 31.5,956 36.254,957 40.777,958 0.308,959 0.711,960 0.867,961 0.942,962 0.942,963 0.942,964 4.694,965 1.112,966 5.541,967 3.09,968 4.174,969 4.828,970 1.225,971 6.344,972 4.088,973 5.923,974 0.409,975 7.094,976 2.683,977 3.761,978 4.691,980 7.209,981 3.649,982 7.241,983 0.342,984 8.744,985 0.891,986 5.759,987 7.118,988 0.925,989 10.3,990 5.608,991 8.596,992 -0.254,993 10.451,994 0.612,995 6.133,996 7.782,998 11.973,999 5.956,1000 9.979,1001 -0.514,1002 12.193,1003 -0.607,1004 7.614,1005 9.69,1006 0.697,1007 14.58,1008 7.41,1009 11.384,1010 -0.563,1011 13.96,1012 -1.242,1013 8.369,1014 10.757,1016 16.609,1017 8.137,1018 12.807,1019 -0.765,1020 15.745,1021 -1.443,1022 9.632,1023 12.434,1024 0.525,1025 19.038,1026 9.376,1027 3.087,1028 -1,1029 17.545,1030 -1.963,1031 10.573,1032 13.71,1034 21.226,1035 10.29,1036 2.858,1037 10.331,1038 19.356,1039 -2.424,1040 11.743,1041 15.28,1042 0.395,1043 23.587,1044 11.435,1045 2.29,1046 8.844,1047 21.176,1048 4.473,1049 12.774,1050 16.662,1052 25.849,1053 12.439,1054 2.099,1055 6.736,1056 23.003,1057 3.887,1058 13.905,1059 18.184,1060 0.298,1061 28.185,1062 13.547,1063 2.004,1064 6.229,1065 24.837,1066 3.076,1067 14.978,1068 19.619,1070 30.48,1071 14.593,1072 1.455,1073 5.656,1074 26.676,1075 2.876,1076 16.096,1077 21.12,1078 0.224,1079 32.808,1080 15.686,1081 1.37,1082 3.692,1083 28.519,1084 2.705,1085 17.188,1086 22.583,1088 35.12,1089 16.754,1090 4098,1091 7069,1092 15.315,1093 24.29,1094 34.141,1095 34.642,1096 35.439,1097 34.004,1098 34.054,1099 46.934,1100 3.08,1101 97.53,1102 32.433,1103 5.303,1104 5.242,1105 6.217,1106 5.13,1107 5.087,1108 7.473,1109 1.72,1110 17.266,1111 5.009,1112 9.763,1113 1.484,1114 1.506,1115 1.541,1116 1.478,1117 1.481,1118 2.041,1119 0.134,1120 4.24,1121 1.41,1122 4.085,1123 4.109,1124 4.049,1125 4.014,1126 5.291,1127 4.019,1128 3.858,1129 3.913,1130 3.822,1131 3.702,1132 5.025,1133 3.724,1134 3.493,1135 3.54,1136 3.409,1137 3.37,1138 4.977,1139 3.374,1140 3.296,1141 3.356,1142 3.161,1143 3.046,1144 4.582,1145 3.066,1146 3.104,1147 3.212,1148 2.965,1149 2.859,1150 4.458,1151 2.87,1152 2.954,1153 3.067,1154 2.791,1155 2.723,1156 4.249,1157 2.713,1158 2.891,1159 2.966,1160 2.735,1161 2.639,1162 3.853,1163 2.665,1164 2.739,1165 2.838,1166 2.583,1167 2.535,1168 3.745,1169 2.543,1170 0.197,1171 0.141,1172 0.284,1173 0.177,1174 0.134,1175 4.536,1176 0.194,1177 3.242,1178 0.037,1179 6.535,1180 0.449,1181 4.061,1182 0.131,1183 3.087,1184 4.473,1185 0.86,1186 10.331,1187 3.009,1188 2.044,1189 2.024,1190 2.116,1191 2.131,1192 1.279,1193 2.127,1194 1.783,1195 1.739,1196 1.874,1197 1.97,1198 0.984,1199 1.942,1200 1.468,1201 1.425,1202 1.637,1203 1.636,1204 0.639,1205 1.641,1206 1.228,1207 1.165,1208 1.559,1209 1.528,1210 0.563,1211 1.539,1212 1.046,1213 0.959,1214 1.315,1215 1.371,1216 0.329,1217 1.362,1218 0.894,1219 0.817,1220 1.212,1221 1.227,1222 0.164,1223 1.24,1224 0.862,1225 0.752,1226 1.11,1227 1.081,1229 1.096,1230 0.714,1231 0.626,1232 1.05,1233 1,1235 1.028,1236 3.85,1238 5.165,1240 6.688,1242 8.31,1244 9.98,1246 1.633,1250 11.388,1252 0.604,1254 5.41,1262 23.456,1263 57.301,1264 132.243,1265 161.362,1266 175.362,1267 175.362,1268 175.362,1269 25.893,1270 6.819,1271 99.94,1272 99.94,1273 18,1274 12.224,1275 4.17,1276 3.248,1277 32.129,1278 64,1279 64,1280 0.25,1281 147.024,1282 240.95,1283 350.498,1284 7467,1286 14.82,1287 0.706,1288 0.551,1289 14.82,1290 11.576,1291 10.169,1292 0.442,1293 0.281,1294 6.348,1295 9.742,1296 6.172,1297 5.157,1298 10.169,1299 6.456,1300 9.105,1301 0.285,1302 0.147,1303 9.105,1304 4.689,1305 7.615,1306 0.181,1307 0.078,1308 7.615,1309 3.261,1310 6.445,1311 0.117,1312 0.041,1313 6.445,1314 2.266,1315 5.329,1316 0.076,1317 0.023,1318 5.329,1319 1.58,1320 0.383,1321 64.023,1322 0.256,1323 20.578,1324 0.712,1325 110,1326 325.295,1327 120.649,1328 320.241,1329 442.93,1330 300,1331 129,1332 331.982,1333 139.373,1334 340.807,1335 493.22,1336 318,1337 4.921}
{0 CHEMBL293415,1 1.696,2 10.154,3 2.147,4 4.609,5 98.846,6 7.647,7 0.571,8 3.978,9 4.095,10 3.55,11 3.36,12 5.183,13 3.396,14 4.476,15 4.655,16 3.896,17 3.713,18 5.63,19 3.742,20 4.553,21 4.687,22 4.019,23 3.876,24 5.726,25 3.888,26 4.773,27 4.946,28 4.061,29 3.978,30 5.963,31 3.946,32 4.922,33 5.139,34 3.855,35 3.973,36 5.948,37 3.903,38 4.834,39 5.057,40 3.702,41 3.901,42 5.787,43 3.81,44 4.787,45 5.052,46 3.596,47 3.796,48 5.74,49 3.687,50 4.696,51 4.992,52 3.567,53 3.616,54 5.603,55 3.526,56 0.152,57 0.692,58 9.819,59 3.594,60 13.641,61 4.835,62 0.57,63 1.008,64 19.278,65 5.74,66 38.411,67 7.732,68 0.475,69 1.173,70 18.483,71 6.481,72 23.522,73 8.857,74 0.673,75 1.31,76 24.692,77 8.764,78 47.542,79 12.133,80 0.973,81 1.327,82 32.368,83 9.144,84 70.825,85 12.884,86 0.735,87 1.231,88 29.293,89 8.646,90 46.759,91 12.448,92 0.655,93 1.13,94 29.166,95 8.243,96 56.786,97 12.593,98 0.637,99 0.946,100 28.265,101 7.435,102 49.843,103 11.918,104 46,105 40,106 0.291,107 0.657,108 0.76,109 0.77,110 0.78,111 0.81,112 3.304,113 0.837,114 -2.48,115 -2.51,116 -2.46,119 36.2,124 4,125 1,139 2,140 2,141 4,144 1,147 1,148 1,155 1,157 1,158 1,159 1,166 1,169 1,170 7,172 2,173 4,175 3,178 1,181 2,182 5,187 1,192 3,193 2,196 3,197 3,198 1,200 2,201 2,204 1,206 3,210 1,212 1,215 2,218 1,221 2,226 2,234 7,236 1,237 1,239 2,246 1,249 2,259 4,263 3,265 2,270 2,273 940,274 17.489,275 17.489,276 17.489,277 17.489,278 17.489,279 15.562,280 25.697,281 9.951,282 18.351,283 13.597,284 13.597,285 13.597,286 13.597,287 13.597,288 10.446,289 37.143,290 4.411,291 14.713,292 3.858,293 1.725,294 1.123,295 1.065,296 1.006,297 0.83,298 3.98,300 1,301 1,302 1,303 554,304 3.391,306 58.406,307 158.127,310 109.366,314 1.396,315 27.459,317 1,318 1,319 0.83,320 1,321 1,323 1,324 1,325 0.83,326 58.5,327 264,328 4.641,329 3.406,330 6.786,331 4.163,332 3.201,333 4.609,334 0.916,335 11.136,336 3.082,337 4.438,338 3.305,339 6.546,340 4.03,341 3.085,342 4.118,343 0.86,344 10.343,345 2.908,346 3.828,347 2.941,348 5.971,349 3.54,350 2.616,351 3.185,352 0.86,353 8.371,354 2.413,355 3.659,356 2.555,357 5.298,358 3.214,359 2.287,360 3.025,361 0.86,362 6.656,363 2.117,364 3.405,365 2.451,366 5.19,367 2.972,368 2.061,369 2.786,370 0.172,371 6.118,372 1.867,373 3.355,374 2.182,375 5.063,376 2.884,377 1.98,378 2.604,380 5.791,381 1.785,382 3.059,383 2.029,384 4.787,385 2.678,386 1.728,387 2.234,389 5.08,390 1.636,391 2.53,392 1.883,393 4.205,394 2.218,395 1.312,396 1.536,398 3.476,399 1.186,400 2.273,401 1.375,402 3.632,403 1.869,404 1.012,405 1.189,407 2.141,408 0.86,409 2.09,410 0.962,411 3.585,412 1.732,413 0.814,414 1.056,415 2.018,416 0.744,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.399,426 0.891,427 2.8,428 1.149,429 0.309,430 0.33,431 0.394,432 0.258,433 1.168,434 0.254,435 2.66,436 0.829,437 -0.097,438 -0.114,439 -0.252,440 -0.089,441 0.961,442 0.088,443 2.488,444 0.519,445 -0.385,446 -0.492,448 -0.82,449 -0.344,450 0.776,451 -0.15,452 2.298,453 0.416,454 -0.483,455 -0.566,457 -1.087,458 -0.427,459 11.833,460 0.455,461 0.695,462 0.027,463 35.25,464 1.356,465 17,466 0.654,467 18.25,468 0.702,469 19.913,470 0.766,471 29.567,472 0.629,473 27.954,474 1.075,475 7.445,476 0.286,477 5.032,478 0.194,479 0.231,481 0.414,485 1.041,486 1.592,487 0.798,488 1.275,489 1.074,490 1.011,491 1.218,492 0.74,493 0.76,494 0.613,495 0.726,496 0.583,497 0.904,498 1.421,499 0.905,500 1.239,501 0.826,502 1.085,503 0.657,504 1.233,505 0.932,506 1.355,507 0.656,508 1.244,509 1.331,510 0.886,511 1.254,512 0.982,513 1.339,514 1.094,515 1.225,516 1.072,517 1.252,518 1.124,519 0.865,520 1.194,521 0.908,522 0.912,523 1.011,524 0.991,525 0.976,526 1.017,527 0.71,528 0.779,529 0.622,530 0.753,531 0.754,532 0.679,533 6,534 0.144,535 3.333,536 2.597,537 2.089,538 1.146,539 0.477,540 0.314,541 0.368,542 0.272,543 7177,544 22474,545 1.992,546 44.7,548 16,549 1,551 4,555 1.693,556 1.814,557 3.289,558 1.811,559 1,560 1,564 79.731,565 1.696,566 3.83,567 4.431,568 4.49,569 4.549,570 4.724,571 2.705,572 4.239,573 4.676,574 3.435,575 1116.54,576 8.109,577 13721.1,579 1,581 1,582 261.066,583 1.549,584 4.601,585 0.214,586 0.008,587 0.083,588 0.059,589 0.049,590 0.034,591 0.016,592 0.012,593 0.014,594 0.011,595 0.501,596 0.17,597 1,598 1.028,599 126.138,600 -0.149,601 -0.312,602 0.037,603 -0.149,604 -0.192,605 -0.024,606 -0.102,607 0.365,608 0.195,609 0.389,610 0.096,611 0.363,612 0.023,613 -0.198,614 -0.044,615 -0.138,616 -0.028,617 -0.102,618 0.24,619 -0.126,620 -0.03,621 -0.284,622 0.222,623 -0.242,624 -0.214,625 0.075,626 -0.262,627 -0.007,628 -0.266,629 -0.133,630 -0.244,631 -0.112,632 -0.282,633 -0.12,634 -0.154,635 -0.201,636 -0.079,637 -0.004,638 -0.022,639 -0.019,640 -0.064,641 -0.005,642 0.131,643 0.022,644 0.418,645 0.191,646 0.135,647 0.352,648 1.818,649 4.112,650 0.577,651 20.485,652 1.019,653 1.142,654 1.255,655 1.575,656 0.637,657 3.367,658 3.714,659 4.025,660 4.317,661 4.477,662 4.554,663 4.575,664 4.595,665 4.644,666 4.7,667 5.97,668 0.621,669 359.43,670 3.367,671 4.92,672 5.79,673 6.691,674 7.577,675 8.481,676 9.372,677 10.276,678 11.168,679 12.073,680 10.6,684 1,686 1,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 1,714 1,715 1,716 3,718 47,719 16,720 1,721 28,723 49,724 17,725 12,726 4,727 2,729 3,730 4,741 12,742 5,753 1,754 1,757 21,758 8,759 4,760 9,764 5,769 0.667,770 4,776 1,777 1,780 1,781 2,784 1,802 2,806 4,810 26,811 1,815 1,816 1,818 3,821 1,829 8.5,831 1,834 3,836 14.333,837 9.633,838 5.917,839 2.308,840 3.108,841 1.431,842 0.94,843 5.406,844 10.325,845 3.611,846 4.273,847 4.925,848 5.55,849 6.026,850 6.329,851 6.597,852 6.872,853 7.021,854 7.293,855 0.857,856 44,857 9.523,859 3.933,860 7.865,861 17.744,863 13.802,865 2.365,866 61.5,870 200.109,871 99.011,872 86.378,874 75.683,877 99.011,878 275.792,879 86.378,880 41.046,881 2.106,882 60.897,883 77.97,884 77.155,885 13.67,886 188.338,888 200.109,889 185.389,890 75.683,893 200.109,894 75.683,897 22.506,898 129.313,899 33.571,901 200.109,902 162.061,903 99.011,906 200.109,907 29.966,908 72.17,909 16.786,910 142.151,911 200.109,912 162.061,913 99.011,915 0.58,916 0.366,917 0.21,918 0.108,919 19,920 10,921 0.122,922 6,923 1,924 1.133,925 3.608,926 220.448,927 0.133,928 15,929 114.211,933 18.567,934 7.57,935 3.538,936 1.029,937 145.276,938 5.474,939 7.91,940 3.003,943 3.195,945 92.366,946 461.181,947 36,956 47.887,957 53.651,958 0.305,959 0.689,960 0.798,961 0.808,962 0.819,963 0.851,964 4.86,965 1.312,966 5.802,967 5.08,968 4.394,969 4.959,970 1.938,971 6.666,972 4.252,973 6.098,974 1.012,975 7.399,976 3.476,977 4.111,978 4.956,979 0.325,980 7.673,981 3.926,982 7.437,983 0.814,984 9.093,985 2.141,986 6.043,987 7.269,988 1.656,989 10.782,990 5.797,991 8.814,992 0.396,993 10.842,994 2.018,995 6.553,996 8.077,997 0.393,998 12.591,999 6.266,1000 10.222,1001 0.309,1002 12.625,1003 0.603,1004 7.981,1005 9.897,1006 1.418,1007 15.23,1008 7.649,1009 11.652,1010 -0.097,1011 14.433,1012 0.394,1013 8.846,1014 11.079,1015 0.384,1016 17.375,1017 8.473,1018 13.1,1019 -0.385,1020 16.259,1021 -0.252,1022 10.089,1023 12.711,1024 1.207,1025 19.851,1026 9.677,1027 3.201,1028 -0.483,1029 18.098,1030 -0.82,1031 11.112,1032 14.07,1033 0.351,1034 22.137,1035 10.659,1036 3.085,1037 11.136,1038 19.949,1039 -1.087,1040 12.289,1041 15.626,1042 1.019,1043 24.556,1044 11.798,1045 2.616,1046 10.343,1047 21.808,1048 4.609,1049 13.381,1050 17.068,1051 0.312,1052 26.901,1053 12.849,1054 2.287,1055 8.371,1056 23.674,1057 4.118,1058 14.535,1059 18.595,1060 0.852,1061 29.3,1062 13.965,1063 2.061,1064 6.656,1065 25.547,1066 3.185,1067 15.657,1068 20.075,1069 0.273,1070 31.671,1071 15.047,1072 1.98,1073 6.118,1074 27.424,1075 3.025,1076 16.805,1077 21.592,1078 0.706,1079 34.064,1080 16.156,1081 1.728,1082 5.791,1083 29.306,1084 2.786,1085 17.941,1086 23.091,1087 0.236,1088 36.447,1089 17.252,1090 7150,1091 12773,1092 17.918,1093 29.938,1094 41.653,1095 42.68,1096 44.986,1097 41.496,1098 41.606,1099 54.25,1100 7.338,1101 124.253,1102 38.396,1103 5.486,1104 5.406,1105 6.329,1106 5.236,1107 5.201,1108 7.609,1109 1.776,1110 18.057,1111 5.082,1112 15.928,1113 1.488,1114 1.524,1115 1.607,1116 1.482,1117 1.486,1118 1.938,1119 0.262,1120 4.438,1121 1.371,1122 4.111,1123 4.154,1124 4.084,1125 3.971,1126 6.476,1127 3.994,1128 3.934,1129 3.949,1130 3.9,1131 3.821,1132 5.221,1133 3.837,1134 3.506,1135 3.575,1136 3.42,1137 3.264,1138 4.976,1139 3.294,1140 3.348,1141 3.432,1142 3.249,1143 3.073,1144 4.81,1145 3.107,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.217,1153 3.294,1154 2.998,1155 2.912,1156 4.468,1157 2.914,1158 3.118,1159 3.21,1160 2.935,1161 2.866,1162 4.314,1163 2.855,1164 3.012,1165 3.077,1166 2.864,1167 2.699,1168 4.133,1169 2.741,1170 0.166,1171 0.122,1172 0.242,1173 0.149,1174 0.114,1175 4.641,1176 0.165,1177 3.406,1178 0.033,1179 6.786,1180 0.398,1181 4.163,1182 0.11,1183 3.201,1184 4.609,1185 0.916,1186 11.136,1187 3.082,1188 1.893,1189 1.876,1190 1.977,1191 2.034,1192 1.16,1193 2.015,1194 1.8,1195 1.774,1196 1.842,1197 1.985,1198 1.005,1199 1.942,1200 1.564,1201 1.502,1202 1.724,1203 1.788,1204 0.755,1205 1.778,1206 1.296,1207 1.221,1208 1.59,1209 1.585,1210 0.611,1211 1.582,1212 1.227,1213 1.163,1214 1.581,1215 1.558,1216 0.584,1217 1.565,1218 1.171,1219 1.085,1220 1.567,1221 1.507,1222 0.571,1223 1.527,1224 1.111,1225 1.015,1226 1.5,1227 1.396,1228 0.545,1229 1.429,1230 1.026,1231 0.926,1232 1.294,1233 1.357,1234 0.296,1235 1.359,1236 4.043,1238 5.38,1239 2.398,1240 6.919,1241 4.727,1242 8.555,1243 6.843,1244 10.243,1246 6.611,1250 5.565,1251 10.112,1252 0.486,1254 16.14,1257 1.975,1262 29.181,1263 79.731,1264 179.988,1265 208.272,1266 211.027,1267 213.781,1268 222.046,1269 43.181,1270 7.217,1271 118.75,1272 118.75,1273 17,1274 12.594,1275 4.087,1276 3.17,1277 44.295,1278 94,1279 88,1280 0.235,1281 181.125,1282 304.56,1283 433.704,1284 12237,1286 18.845,1287 0.725,1288 0.578,1289 18.845,1290 15.03,1291 12.477,1292 0.446,1293 0.279,1294 7.586,1295 11.622,1296 7.292,1297 6.139,1298 12.477,1299 7.816,1300 11.082,1301 0.277,1302 0.142,1303 11.082,1304 5.683,1305 9.555,1306 0.174,1307 0.075,1308 9.555,1309 4.109,1310 8.431,1311 0.114,1312 0.039,1313 8.431,1314 2.853,1315 6.303,1316 0.072,1317 0.021,1318 6.303,1319 1.814,1320 0.365,1321 81.005,1322 0.236,1323 24.766,1324 0.659,1325 136,1326 469.937,1327 156.009,1328 439.27,1329 598.73,1330 412,1331 163,1332 440.582,1333 183.842,1334 447.618,1335 653.07,1336 413,1337 4.347}
{0 CHEMBL293512,1 1.724,2 10.724,3 1.723,4 2.967,5 109.522,6 8.091,7 0.375,8 4.034,9 4.147,10 3.661,11 3.469,12 5.256,13 3.507,14 4.545,15 4.708,16 4.04,17 3.848,18 5.753,19 3.879,20 4.679,21 4.815,22 4.208,23 4.045,24 5.884,25 4.067,26 4.842,27 4.989,28 4.251,29 4.132,30 6.097,31 4.117,32 5.008,33 5.21,34 4.098,35 4.114,36 6.117,37 4.078,38 4.93,39 5.151,40 3.921,41 3.977,42 6.103,43 3.917,44 4.792,45 5.037,46 3.701,47 3.822,48 5.8,49 3.745,50 4.624,51 4.874,52 3.677,53 3.686,54 5.723,55 3.608,56 0.163,57 0.763,58 9.005,59 3.806,60 15.027,61 4.691,62 0.592,63 1.146,64 18.924,65 6.482,66 45.555,67 8.022,68 0.556,69 1.387,70 19.117,71 7.218,72 30.554,73 9.181,74 0.689,75 1.543,76 22.944,77 9.535,78 51.11,79 12.138,80 0.942,81 1.593,82 32.507,83 9.662,84 79.138,85 12.873,86 0.996,87 1.395,88 31.518,89 9.297,90 93.944,91 12.54,92 0.766,93 1.16,94 29.321,95 8.7,96 75,97 12.126,98 0.699,99 1.012,100 24.395,101 7.75,102 61.611,103 11.403,104 46,105 47,106 0.289,107 0.665,108 0.751,109 0.774,110 0.784,111 0.812,112 3.409,113 0.825,114 -2.81,115 -2.82,116 -2.73,119 38.8,121 1,124 3,125 1,135 2,136 1,139 2,140 1,141 4,144 2,147 1,153 1,157 2,158 2,159 2,166 3,169 3,170 11,172 3,173 3,175 1,178 4,180 1,181 2,182 7,187 1,191 1,192 7,193 10,195 3,196 3,197 1,198 3,200 2,201 4,204 3,205 1,206 1,212 1,215 2,218 1,220 3,221 8,223 3,224 3,226 2,229 2,231 2,234 4,245 4,246 7,248 1,249 1,251 2,256 2,259 2,260 1,273 1169,274 19.643,275 19.643,276 19.643,277 19.643,278 19.643,279 17.51,280 34.38,281 11.085,282 20.463,283 15.585,284 15.585,285 15.585,286 15.585,287 15.585,288 11.936,289 53.914,290 4.961,291 16.621,292 3.891,293 1.656,294 1.144,295 1.006,296 0.95,297 0.781,298 4.102,301 1,302 1,303 668,304 3,307 266.535,311 203.469,314 1.684,315 36.255,318 1,319 0.83,320 1,321 0.8,323 1,324 1,325 0.8,326 65,327 311,328 4.806,329 3.703,330 6.958,331 4.282,332 3.303,333 4.883,334 1.149,335 11.779,336 3.238,337 4.446,338 3.396,339 6.555,340 4.039,341 3.095,342 4.123,343 0.86,344 10.388,345 2.918,346 4.116,347 3.136,348 6.206,349 3.709,350 2.763,351 3.54,352 0.86,353 9.157,354 2.624,355 3.769,356 3.018,357 5.97,358 3.461,359 2.51,360 3.124,361 0.86,362 8.323,363 2.373,364 3.694,365 2.575,366 5.359,367 3.165,368 2.207,369 3.062,370 0.8,371 6.663,372 2.104,373 3.478,374 2.555,375 5.19,376 2.972,377 2.061,378 2.832,380 6.118,381 1.867,382 3.355,383 2.246,384 5.03,385 2.906,386 1.976,387 2.604,389 5.84,390 1.831,391 3.071,392 2.073,393 4.756,394 2.691,395 1.734,396 2.182,398 4.85,399 1.647,400 2.702,401 1.988,402 4.47,403 2.374,404 1.442,405 1.704,407 4.228,408 1.34,409 2.427,410 1.554,411 3.806,412 2.013,413 1.075,414 1.268,415 2.649,416 1.006,417 2.142,418 1.44,419 3.7,420 1.904,421 1.011,422 1.122,423 2.207,424 0.887,425 1.701,426 0.983,427 3.205,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.576,434 0.916,435 2.86,436 1.2,437 0.327,438 0.361,439 0.556,440 0.277,441 1.402,442 0.762,443 2.859,444 1.117,445 0.179,446 0.238,448 0.359,449 0.17,450 1.309,451 0.191,452 2.66,453 0.737,454 -0.207,455 -0.295,457 -0.575,458 -0.194,459 13.233,460 0.456,461 0.798,462 0.028,463 41.5,464 1.431,465 21,466 0.724,467 20.5,468 0.707,469 22.757,470 0.785,471 31.767,472 0.648,473 33.423,474 1.153,475 8.243,476 0.284,477 5.718,478 0.197,479 0.199,481 0.446,485 0.942,486 1.457,487 0.728,488 1.174,489 0.854,490 0.929,491 1.121,492 0.776,493 0.707,494 0.657,495 0.632,496 0.603,497 0.882,498 1.254,499 0.802,500 1.034,501 0.76,502 0.905,503 0.653,504 1.229,505 0.926,506 1.36,507 0.774,508 1.256,509 1.336,510 1.097,511 1.229,512 1.075,513 1.25,514 1.117,515 1.206,516 0.856,517 1.226,518 1.021,519 1.074,520 1.116,521 1.162,522 0.861,523 1.033,524 0.915,525 1.355,526 0.948,527 0.511,528 0.912,529 0.726,530 0.985,531 0.552,532 0.931,533 6.5,534 0.206,535 3.778,536 2.875,537 2.858,538 1.41,539 0.704,540 0.514,541 0.377,542 0.314,543 9756,544 30725,545 2.049,546 40.8,548 13,549 1,551 4,553 2,555 1.722,556 1.871,557 3.362,558 1.731,559 1,560 1,564 84.462,565 1.724,566 3.959,567 4.471,568 4.609,569 4.665,570 4.834,571 2.905,572 4.392,573 4.83,574 3.513,575 1426.14,576 8.425,577 18483.8,579 1,581 1,582 275.121,583 1.528,584 4.765,585 0.203,586 0.009,587 0.08,588 0.052,589 0.053,590 0.031,591 0.02,592 0.017,593 0.013,594 0.012,595 0.491,596 0.17,597 0.88,598 0.976,599 145.005,600 -0.136,601 -0.225,602 0.041,603 -0.105,604 -0.155,605 0.003,606 -0.063,607 0.308,608 0.205,609 0.354,610 0.114,611 0.337,613 -0.086,614 0.024,615 0.01,616 -0.017,617 0.033,618 0.22,619 -0.116,620 -0.077,621 -0.306,622 0.113,623 -0.291,624 -0.268,625 -0.115,626 -0.253,627 -0.104,628 -0.238,629 -0.161,630 -0.127,631 0.084,632 -0.213,633 -0.061,634 0.013,635 -0.146,636 -0.156,637 -0.007,638 0.018,639 0.083,640 -0.168,641 0.093,642 0.331,643 -0.045,644 0.307,645 0.034,646 0.289,647 0.142,648 2.067,649 5.644,650 0.69,651 25.653,652 1.023,653 1.137,654 1.579,655 2.493,656 0.657,657 3.497,658 3.871,659 4.22,660 4.554,661 4.836,662 4.99,663 5.13,664 5.303,665 5.476,666 5.606,667 6.226,668 0.646,669 396.45,670 3.497,671 5.069,672 5.958,673 6.876,674 7.783,675 8.705,676 9.617,677 10.54,678 11.454,679 12.379,680 12.2,684 2,686 1,689 1,690 2,695 2,696 2,700 6,702 12,711 2,714 1,716 3,718 49,719 16,720 1,721 32,723 52,724 19,725 10,726 4,727 2,728 4,729 4,730 7,736 1,739 1,741 14,742 5,744 4,748 1,749 1,750 1,751 3,754 1,757 20,758 10,759 4,760 10,764 6,769 0.5,770 4,776 1,781 4,785 2,796 2,802 2,806 3,810 29,811 2,816 2,818 3,821 1,829 8.2,832 1,834 3,836 15.5,837 9.883,838 6.472,839 2.579,840 3.733,841 1.463,842 0.993,843 5.063,844 11.795,845 3.761,846 4.443,847 5.133,848 5.777,849 6.369,850 6.775,851 7.126,852 7.565,853 7.99,854 8.4,855 1,856 55,857 10.673,859 4.582,860 7.908,861 19.817,863 15.989,865 2.408,866 69.833,870 188.338,871 102.142,872 119.275,874 58.145,877 102.142,878 246.482,879 119.275,880 32.649,881 13.688,882 84.747,883 63.421,884 79.728,885 17.101,886 176.567,888 188.338,889 221.417,890 58.145,893 164.795,894 81.687,897 23.325,898 164.522,899 33.571,901 188.338,902 177.42,903 102.142,906 188.338,907 41.493,908 63.773,910 174.296,911 188.338,912 177.42,913 102.142,915 0.586,916 0.371,917 0.217,918 0.12,919 24,920 12,921 0.077,922 4,923 2,924 1.2,925 3.818,926 272.407,927 0.2,928 20,929 132.881,933 19.484,934 7.536,935 3.281,937 177.42,938 3.639,939 8.057,943 2.523,945 65.794,946 467.9,947 42,951 12.644,952 1.74,953 4.04,954 0.806,956 50.105,957 55.734,958 0.307,959 0.705,960 0.796,961 0.821,962 0.831,963 0.861,964 5.037,965 1.734,966 5.979,967 5.84,968 4.554,969 5.13,970 2.201,971 6.87,972 4.443,973 6.291,974 1.442,975 7.59,976 4.85,977 4.29,978 5.182,979 0.325,980 7.91,981 4.155,982 7.648,983 1.075,984 9.298,985 4.228,986 6.229,987 7.493,988 2.108,989 11.046,990 6.038,991 9.041,992 1.011,993 11.06,994 2.649,995 6.746,996 8.352,997 0.268,998 12.878,999 6.535,1000 10.466,1001 0.396,1002 12.856,1003 2.207,1004 8.188,1005 10.187,1006 2.116,1007 15.55,1008 7.937,1009 11.913,1010 0.327,1011 14.677,1012 0.603,1013 9.062,1014 11.427,1015 0.188,1016 17.723,1017 8.791,1018 13.377,1019 0.179,1020 16.514,1021 0.556,1022 10.321,1023 13.087,1024 2.201,1025 20.236,1026 10.019,1027 3.303,1028 -0.207,1029 18.365,1030 0.359,1031 11.357,1032 14.509,1033 0.125,1034 22.559,1035 11.035,1036 3.095,1037 11.779,1038 20.228,1039 -0.575,1040 12.55,1041 16.106,1042 2.347,1043 25.02,1044 12.202,1045 2.763,1046 10.388,1047 22.099,1048 4.883,1049 13.659,1050 17.612,1051 0.082,1052 27.41,1053 13.292,1054 2.51,1055 9.157,1056 23.978,1057 4.123,1058 14.832,1059 19.19,1060 2.536,1061 29.856,1062 14.442,1063 2.207,1064 8.323,1065 25.863,1066 3.54,1067 15.974,1068 20.734,1069 0.054,1070 32.277,1071 15.566,1072 2.061,1073 6.663,1074 27.753,1075 3.124,1076 17.143,1077 22.308,1078 2.756,1079 34.722,1080 16.715,1081 1.976,1082 6.118,1083 29.648,1084 3.062,1085 18.301,1086 23.87,1087 0.035,1088 37.159,1089 17.856,1090 9469,1091 16940,1092 20.808,1093 32.182,1094 48.622,1095 50.592,1096 51.91,1097 48.043,1098 48.157,1099 62.989,1100 9.058,1101 147.439,1102 45.245,1103 5.748,1104 5.703,1105 6.5,1106 5.357,1107 5.303,1108 7.93,1109 2.298,1110 19.321,1111 5.238,1112 17.205,1113 1.519,1114 1.581,1115 1.622,1116 1.501,1117 1.505,1118 1.968,1119 0.283,1120 4.607,1121 1.414,1122 4.138,1123 4.172,1124 4.121,1125 4.024,1126 7.431,1127 4.044,1128 3.931,1129 3.947,1130 3.901,1131 3.82,1132 5.327,1133 3.836,1134 3.631,1135 3.684,1136 3.573,1137 3.443,1138 4.985,1139 3.468,1140 3.344,1141 3.392,1142 3.281,1143 3.117,1144 4.974,1145 3.144,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.72,1151 3.026,1152 3.243,1153 3.31,1154 3.11,1155 2.99,1156 4.58,1157 3.009,1158 3.191,1159 3.273,1160 2.991,1161 2.895,1162 4.473,1163 2.898,1164 3.1,1165 3.21,1166 2.918,1167 2.832,1168 4.385,1169 2.846,1170 0.15,1171 0.116,1172 0.217,1173 0.134,1174 0.103,1175 4.806,1176 0.153,1177 3.703,1178 0.036,1179 6.958,1180 0.368,1181 4.282,1182 0.101,1183 3.303,1184 4.883,1185 1.149,1186 11.779,1187 3.238,1188 2.056,1189 2.029,1190 2.106,1191 2.189,1192 1.34,1193 2.163,1194 1.866,1195 1.854,1196 1.931,1197 2.004,1198 1.066,1199 1.981,1200 1.555,1201 1.502,1202 1.708,1203 1.778,1204 0.85,1205 1.761,1206 1.244,1207 1.201,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.571,1215 1.52,1216 0.576,1217 1.531,1218 1.191,1219 1.12,1220 1.529,1221 1.501,1222 0.564,1223 1.484,1224 1.153,1225 1.066,1226 1.413,1227 1.441,1228 0.478,1229 1.46,1230 1.017,1231 0.924,1232 1.279,1233 1.375,1234 0.208,1235 1.363,1236 4.174,1238 5.533,1240 7.109,1242 8.79,1244 10.525,1246 4.649,1250 11.67,1252 1.141,1254 16.217,1257 1.927,1262 31.675,1263 84.462,1264 193.996,1265 219.082,1266 225.837,1267 228.591,1268 236.856,1269 51.173,1270 8.062,1271 138.71,1272 138.71,1273 24,1274 12.886,1275 4.087,1276 3.459,1277 44.65,1278 111,1279 102,1280 0.206,1281 193.856,1282 343.42,1283 464.767,1284 33888,1286 20.706,1287 0.714,1288 0.559,1289 20.706,1290 16.223,1291 13.96,1292 0.436,1293 0.275,1294 8.575,1295 13.08,1296 8.326,1297 6.917,1298 13.96,1299 8.805,1300 12.645,1301 0.269,1302 0.137,1303 12.645,1304 6.431,1305 11.185,1306 0.167,1307 0.073,1308 11.185,1309 4.869,1310 10.126,1311 0.108,1312 0.038,1313 10.126,1314 3.556,1315 8.293,1316 0.066,1317 0.02,1318 8.293,1319 2.504,1320 0.317,1321 90.062,1322 0.219,1323 26.977,1324 0.584,1325 158,1326 540.147,1327 179.757,1328 507.604,1329 696.32,1330 476,1331 193,1332 517.583,1333 215.341,1334 523.386,1335 772.17,1336 487,1337 6.62}
{0 CHEMBL293822,1 1.572,2 10,3 4.007,4 16.054,5 103.552,6 7.563,7 0.48,8 3.906,9 4.062,10 3.468,11 3.383,12 5.052,13 3.353,14 4.397,15 4.617,16 3.81,17 3.733,18 5.472,19 3.675,20 4.598,21 4.833,22 3.943,23 3.858,24 5.668,25 3.799,26 4.622,27 4.852,28 3.909,29 3.863,30 5.744,31 3.798,32 4.671,33 4.907,34 3.829,35 3.878,36 5.761,37 3.795,38 4.743,39 5.02,40 3.822,41 3.881,42 5.734,43 3.746,44 4.621,45 4.887,46 3.798,47 3.761,48 5.662,49 3.608,50 4.386,51 4.634,52 3.495,53 3.565,54 5.399,55 3.403,56 0.094,57 0.708,58 9.815,59 3.594,60 12.301,61 5.319,62 0.232,63 1.01,64 18.364,65 6.086,66 23.89,67 9.066,68 0.284,69 1.153,70 24.864,71 6.306,72 31.551,73 10.192,74 0.325,75 1.19,76 25.442,77 6.492,78 39.807,79 10.418,80 0.327,81 1.233,82 24.643,83 6.247,84 42.036,85 10.473,86 0.354,87 1.139,88 29.428,89 8.306,90 47.136,91 12.844,92 0.453,93 0.913,94 32.781,95 7.967,96 52.226,97 11.892,98 0.33,99 0.742,100 25.999,101 6.592,102 34.203,103 9.375,104 45,105 34,106 0.273,107 0.642,108 0.812,109 0.868,110 0.868,111 0.868,112 3.228,113 0.982,114 -4.78,115 -4.7,116 -4.41,119 34.8,120 2,121 2,124 1,125 1,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 6,169 2,170 5,172 3,173 3,175 1,178 6,180 1,182 9,187 1,189 6,191 1,193 13,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,207 9,212 4,215 4,218 4,220 2,221 3,223 1,224 1,226 2,229 2,231 2,233 2,234 4,236 1,237 1,239 2,241 5,243 2,245 2,246 2,248 2,249 2,254 6,260 1,262 1,263 1,265 1,268 2,270 1,273 832,274 15.878,275 15.878,276 15.878,277 15.878,278 15.878,279 14.205,280 20.501,281 9.406,282 16.27,283 12.208,284 12.208,285 12.208,286 12.208,287 12.208,288 9.599,289 24.81,290 4.28,291 12.917,292 3.951,293 1.829,294 0.848,295 0.527,296 0.527,297 0.527,298 3.887,299 1,300 1,301 1,302 1,303 485,304 3.391,307 164.619,314 1.5,315 21.276,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 51.833,327 240,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.4,335 11.076,336 3.094,337 4.183,338 3.11,339 6.047,340 3.725,341 2.794,342 3.814,344 8.672,345 2.583,346 3.636,347 2.584,348 5.304,349 3.301,350 2.354,351 3.012,353 6.625,354 2.226,355 3.463,356 2.385,357 5.038,358 3.169,359 2.246,360 2.582,362 6.041,363 2.057,364 3.3,365 2.226,366 5.024,367 2.932,368 1.985,369 2.546,371 5.702,372 1.876,373 3.105,374 1.966,375 4.756,376 2.68,377 1.732,378 2.315,380 4.931,381 1.635,382 2.908,383 1.807,384 4.226,385 2.462,386 1.537,387 2.02,389 3.94,390 1.369,391 2.378,392 1.113,393 3.329,394 2.084,395 1.089,396 1.245,398 1.993,399 1.083,400 1.881,401 0.831,402 3.287,403 1.558,404 0.603,405 0.741,407 1.206,408 0.557,409 1.744,410 0.625,411 2.803,412 1.503,413 0.526,414 0.63,415 1.006,416 0.512,417 1.384,418 0.377,419 2.741,420 1.04,421 0.126,422 0.151,423 0.245,424 0.107,425 1.075,426 0.018,427 2.448,428 0.641,429 -0.244,430 -0.298,431 -0.574,432 -0.193,433 0.825,434 -0.305,435 2.261,436 0.438,437 -0.478,438 -0.585,439 -0.916,440 -0.437,441 0.672,442 -0.376,443 2.216,444 0.38,445 -0.572,446 -0.595,448 -1.149,449 -0.536,450 0.428,451 -0.56,452 1.905,453 0.218,454 -0.742,455 -0.895,457 -1.912,458 -0.693,459 11.514,460 0.48,461 0.63,462 0.026,463 30,464 1.25,465 15,466 0.625,467 15,468 0.625,469 20.692,470 0.862,471 26.886,472 0.584,473 21.999,474 0.917,475 5.694,476 0.237,477 5.761,478 0.24,479 0.262,481 0.339,485 0.816,486 1.33,487 0.707,488 1.037,489 1.072,490 0.989,491 0.636,492 1.02,493 0.627,494 0.86,495 0.436,496 0.831,497 1.15,498 1.175,499 0.86,500 0.867,501 0.939,502 0.833,503 1.116,504 1.227,505 0.972,506 1.035,507 0.907,508 0.991,509 1.27,510 1.261,511 0.944,512 1.06,513 1.406,514 1.124,515 0.901,516 0.945,517 0.833,518 0.89,519 1.011,520 0.937,521 0.926,522 0.911,523 1.35,524 1.16,525 0.914,526 1.048,527 1.272,528 0.918,529 1.719,530 1.294,531 1.227,532 1.223,533 5.5,534 0.099,535 2.889,536 2.188,537 1.498,538 0.958,539 0.649,540 0.361,541 0.304,542 0.131,543 5449,544 15342,545 1.925,546 47.8,547 6,548 8,551 4,552 2,553 2,555 1.672,556 1.756,557 3.268,558 1.86,560 1,564 72.325,565 1.572,566 3.695,567 4.675,568 4.996,569 4.996,570 4.996,571 2.709,572 4.168,573 4.552,574 3.411,575 941.518,576 7.877,577 11027.7,579 1,581 1,582 254.084,583 1.555,584 4.483,585 0.22,586 0.009,587 0.085,588 0.059,589 0.042,590 0.03,591 0.022,592 0.014,593 0.016,594 0.008,595 0.506,597 1,598 1.754,599 113.682,600 0.031,601 0.009,602 0.012,603 0.007,604 -0.163,605 0.008,606 0.228,607 0.123,608 0.178,609 0.148,610 0.297,611 0.162,612 -0.103,613 -0.083,614 0.085,615 0.108,616 -0.015,617 0.129,618 -0.056,619 -0.117,620 -0.039,621 -0.067,622 0.084,623 -0.037,624 -0.251,625 -0.129,626 -0.164,627 -0.146,628 -0.29,629 -0.2,630 0.022,631 0.01,632 0.093,633 0.078,634 -0.027,635 0.042,636 0.217,637 -0.023,638 0.042,639 -0.076,640 0.17,641 -0.019,642 -0.036,643 0.016,644 -0.234,645 -0.188,646 -0.125,647 -0.198,648 1.497,649 2.117,650 0.5,651 20.556,652 1.002,653 1.147,654 3.554,655 12.632,656 0.652,657 3.258,658 3.555,659 3.784,660 4.025,661 4.205,662 4.263,663 4.29,664 4.29,665 4.29,666 4.174,667 5.811,668 0.613,669 347.9,670 3.258,671 4.779,672 5.609,673 6.482,674 7.336,675 8.217,676 9.083,677 9.969,678 10.84,679 11.729,680 15.2,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 46,719 13,720 1,721 25,723 47,724 16,725 10,726 3,727 3,729 2,730 2,731 1,734 2,739 2,741 10,742 6,744 1,750 2,754 1,757 22,758 7,759 4,760 8,761 1,764 7,769 1,776 1,781 2,802 2,806 3,807 1,810 24,811 2,816 3,821 1,828 1,836 13.667,837 9.06,838 5.528,839 2.902,840 2.721,841 1.409,842 0.946,843 6.348,844 9.375,845 3.497,846 4.078,847 4.649,848 5.226,849 5.766,850 6.058,851 6.387,852 6.709,853 7.017,854 7.206,855 0.857,856 37,857 8.784,859 3.522,860 7.762,861 16.624,863 12.756,865 2.262,866 54.278,869 1,870 211.88,871 81.263,872 135.571,873 39.149,877 81.263,878 251.028,879 135.571,880 26.047,881 10.177,882 94.223,883 33.571,884 15.385,885 37.431,886 211.88,887 39.149,888 211.88,889 216.833,891 39.149,893 188.338,894 23.542,897 32.483,898 117.576,899 105.923,901 211.88,902 135.571,903 120.411,906 211.88,907 26.787,908 57.477,910 171.718,911 211.88,912 135.571,913 120.411,915 0.57,916 0.334,917 0.182,918 0.096,919 14,920 8,921 0.128,922 6,924 1,925 3.447,926 185.164,928 12,929 110.039,933 18.43,934 8.267,935 4.564,937 135.571,938 5.456,939 8.329,943 3.961,945 65.794,946 467.862,947 32,953 8.376,956 46.105,957 52.754,958 0.285,959 0.669,960 0.846,961 0.905,962 0.905,963 0.905,964 4.718,965 1.089,966 5.602,967 3.94,968 4.234,969 4.762,970 0.278,971 6.409,972 4.126,973 5.931,974 0.603,975 7.165,976 1.993,977 3.892,978 4.62,980 7.338,981 3.696,982 7.238,983 0.526,984 8.827,985 1.206,986 5.82,987 6.959,988 0.05,989 10.43,990 5.627,991 8.583,992 0.126,993 10.548,994 1.006,995 6.256,996 7.602,998 12.195,999 5.994,1000 9.959,1001 -0.244,1002 12.307,1003 0.245,1004 7.69,1005 9.448,1006 0.008,1007 14.832,1008 7.428,1009 11.357,1010 -0.478,1011 14.093,1012 -0.574,1013 8.494,1014 10.474,1016 16.964,1017 8.187,1018 12.774,1019 -0.572,1020 15.901,1021 -0.916,1022 9.737,1023 12.106,1024 0.001,1025 19.444,1026 9.421,1027 3.171,1028 -0.742,1029 17.726,1030 -1.149,1031 10.718,1032 13.329,1034 21.733,1035 10.372,1036 2.794,1037 11.076,1038 19.566,1039 -1.912,1040 11.888,1041 14.858,1043 24.157,1044 11.528,1045 2.354,1046 8.672,1047 21.416,1048 4.257,1049 12.953,1050 16.182,1052 26.512,1053 12.571,1054 2.246,1055 6.625,1056 23.277,1057 3.814,1058 14.097,1059 17.662,1061 28.918,1062 13.7,1063 1.985,1064 6.041,1065 25.146,1066 3.012,1067 15.202,1068 19.039,1070 31.3,1071 14.786,1072 1.732,1073 5.702,1074 27.021,1075 2.582,1076 16.34,1077 20.495,1079 33.702,1080 15.908,1081 1.537,1082 4.931,1083 28.902,1084 2.546,1085 17.464,1086 21.9,1088 36.095,1089 17.013,1090 5678,1091 9694,1092 15.72,1093 29.989,1094 36.87,1095 36.875,1096 38.811,1097 36.519,1098 36.325,1099 46.626,1100 0.8,1101 102.874,1102 34.198,1103 5.281,1104 5.278,1105 6.544,1106 5.216,1107 5.171,1108 7.257,1109 0.8,1110 17.964,1111 5.094,1112 15.221,1113 1.475,1114 1.475,1115 1.552,1116 1.461,1117 1.453,1118 1.865,1119 0.032,1120 4.115,1121 1.368,1122 4.013,1123 4.048,1124 4.054,1125 3.935,1126 5.287,1127 3.939,1128 3.773,1129 3.831,1130 3.824,1131 3.629,1132 5.04,1133 3.644,1134 3.671,1135 3.745,1136 3.547,1137 3.484,1138 4.975,1139 3.477,1140 3.392,1141 3.485,1142 3.293,1143 3.194,1144 4.724,1145 3.185,1146 3.317,1147 3.422,1148 3.204,1149 3.048,1150 4.465,1151 3.056,1152 3.11,1153 3.217,1154 3.147,1155 2.891,1156 4.231,1157 2.904,1158 2.977,1159 3.072,1160 2.913,1161 2.78,1162 4.119,1163 2.779,1164 2.875,1165 2.958,1166 2.826,1167 2.62,1168 3.965,1169 2.639,1170 0.181,1171 0.131,1172 0.271,1173 0.166,1174 0.127,1175 4.535,1176 0.17,1177 3.278,1178 0.016,1179 6.77,1180 0.443,1181 4.146,1182 0.124,1183 3.171,1184 4.257,1185 0.4,1186 11.076,1187 3.094,1188 1.957,1189 1.935,1190 2.024,1191 2.064,1192 1.19,1193 2.053,1194 1.711,1195 1.665,1196 1.931,1197 1.914,1198 1.172,1199 1.913,1200 1.649,1201 1.572,1202 1.849,1203 1.834,1204 1.004,1205 1.845,1206 1.382,1207 1.297,1208 1.635,1209 1.633,1210 0.695,1211 1.653,1212 1.283,1213 1.175,1214 1.611,1215 1.578,1216 0.596,1217 1.601,1218 1.012,1219 0.936,1220 1.287,1221 1.373,1222 0.422,1223 1.356,1224 0.929,1225 0.858,1226 1.267,1227 1.202,1228 0.183,1229 1.207,1230 0.813,1231 0.712,1232 1.148,1233 1.104,1234 0.128,1235 1.148,1236 3.932,1238 5.231,1240 6.73,1242 8.33,1244 9.986,1246 5.933,1247 6.228,1250 11.736,1252 2.493,1257 1.765,1262 28.192,1263 72.325,1264 169.971,1265 215.064,1266 229.819,1267 229.819,1268 229.819,1269 45.849,1270 6.654,1271 105.78,1272 105.78,1273 12,1274 12.262,1275 3.807,1276 3,1277 48.282,1278 82,1279 100,1280 0.293,1281 184.862,1282 312.57,1283 442.824,1284 5803,1285 2.2,1286 17.69,1287 0.737,1288 0.62,1289 18.19,1290 14.878,1291 11.456,1292 0.458,1293 0.327,1294 7.725,1295 10.719,1296 7.413,1297 6.281,1298 11.745,1299 8.182,1300 10.081,1301 0.297,1302 0.17,1303 10.452,1304 5.786,1305 7.964,1306 0.185,1307 0.088,1308 8.344,1309 3.771,1310 6.654,1311 0.121,1312 0.046,1313 6.889,1314 2.51,1315 4.967,1316 0.075,1317 0.023,1318 5.209,1319 1.515,1320 0.452,1321 74.91,1322 0.252,1323 23.272,1324 0.822,1325 118,1326 345.053,1327 145.148,1328 373.449,1329 504.77,1330 346,1331 136,1332 363.942,1333 159.72,1334 378.391,1335 545.41,1336 354,1337 6.051}
{0 CHEMBL293977,1 1.599,2 9.261,3 1.015,4 1.031,5 92.989,6 7.169,7 0.48,8 3.894,9 4.031,10 3.408,11 3.348,12 5.033,13 3.344,14 4.41,15 4.593,16 3.752,17 3.757,18 5.48,19 3.72,20 4.647,21 4.845,22 3.848,23 3.936,24 5.648,25 3.868,26 4.806,27 5.051,28 3.759,29 3.932,30 5.818,31 3.833,32 4.723,33 4.966,34 3.619,35 3.853,36 5.662,37 3.744,38 4.628,39 4.882,40 3.525,41 3.751,42 5.544,43 3.634,44 4.598,45 4.87,46 3.537,47 3.625,48 5.58,49 3.515,50 4.432,51 4.683,52 3.356,53 3.456,54 5.503,55 3.37,56 0.087,57 0.672,58 9.939,59 3.536,60 14.68,61 5.069,62 0.283,63 1.029,64 17.849,65 6.471,66 31.888,67 9.004,68 0.233,69 1.255,70 22.614,71 7.879,72 26.68,73 11.705,74 0.469,75 1.281,76 28.469,77 8.709,78 56.005,79 13.159,80 0.379,81 1.16,82 26.233,83 8.259,84 42.534,85 12.329,86 0.258,87 1.062,88 23.618,89 7.518,90 32.938,91 11.535,92 0.479,93 0.948,94 23.925,95 7.191,96 45.241,97 11.244,98 0.366,99 0.855,100 19.918,101 5.203,102 42.933,103 8.24,104 21,105 35,106 0.281,107 0.678,108 0.867,109 0.891,110 0.891,111 0.891,112 3.189,113 0.902,114 -3,115 -3,116 -2.89,119 36.4,121 2,122 1,124 1,125 2,139 2,140 3,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 7,169 1,170 3,172 3,173 3,175 4,178 7,180 1,182 4,185 1,187 5,189 6,191 1,193 5,195 1,196 1,197 2,198 4,200 2,201 4,204 2,205 1,207 6,212 5,215 3,218 3,221 2,226 4,229 1,231 2,233 2,234 2,236 1,237 2,239 5,243 3,246 2,249 2,250 1,251 3,253 1,256 2,262 1,263 1,265 1,270 1,273 695,274 15.566,275 15.566,276 15.566,277 15.566,278 15.566,279 14.013,280 25.104,281 9.011,282 15.99,283 12.214,284 12.214,285 12.214,286 12.214,287 12.214,288 9.792,289 38.118,290 4.136,291 12.818,292 3.86,293 1.594,294 0.517,295 0.381,296 0.381,297 0.381,298 3.869,301 1,302 1,303 451,304 2.646,307 184.218,311 96.883,314 1.316,315 23.586,318 0.75,319 0.83,320 0.83,321 0.9,322 1,323 0.83,324 1,325 0.88,326 50.5,327 213,328 4.446,329 3.332,330 6.548,331 4.083,332 3.108,333 4.12,334 0.86,335 10.391,336 3.032,337 4.23,338 3.07,339 6.088,340 3.822,341 2.863,342 3.876,343 0.68,344 8.847,345 2.752,346 3.632,347 2.652,348 5.43,349 3.418,350 2.441,351 2.946,352 0.4,353 7.116,354 2.382,355 3.499,356 2.519,357 5.281,358 3.207,359 2.254,360 2.701,362 6.698,363 2.149,364 3.362,365 2.206,366 5.004,367 2.946,368 2.005,369 2.651,371 5.704,372 1.877,373 3.132,374 2.12,375 4.921,376 2.861,377 1.895,378 2.217,380 5.621,381 1.823,382 2.823,383 1.701,384 4.154,385 2.357,386 1.424,387 1.951,389 3.691,390 1.325,391 2.261,392 1.53,393 3.91,394 2.117,395 1.202,396 1.25,398 3.015,399 1.094,400 1.615,401 1.123,402 3.075,403 1.419,404 0.541,405 0.558,407 0.923,408 0.469,409 1.598,410 0.85,411 2.897,412 1.323,413 0.396,414 0.461,415 0.817,416 0.363,417 1.47,418 0.615,419 2.87,420 1.231,421 0.32,422 0.362,423 0.545,424 0.29,425 1,426 0.019,427 2.459,428 0.702,429 -0.251,430 -0.296,431 -0.612,432 -0.238,433 0.797,434 -0.164,435 2.359,436 0.466,437 -0.484,438 -0.559,439 -1.146,440 -0.458,441 0.764,442 -0.314,443 2.329,444 0.393,445 -0.514,446 -0.621,448 -1.242,449 -0.466,450 0.476,451 -0.335,452 2.179,453 0.213,454 -0.73,455 -0.835,457 -1.779,458 -0.68,459 10.667,460 0.464,461 0.571,462 0.025,463 29.25,464 1.272,465 14,466 0.609,467 15.25,468 0.663,469 18.322,470 0.797,471 25.933,472 0.589,473 20.659,474 0.898,475 5.767,476 0.251,477 5.334,478 0.232,479 0.153,481 0.375,485 1.093,486 1.306,487 0.887,488 1.062,489 1.156,490 0.944,491 0.959,492 0.931,493 0.866,494 0.941,495 0.749,496 0.909,497 0.806,498 1.31,499 0.988,500 1.252,501 0.733,502 1.167,503 1.012,504 0.934,505 1.057,506 1.035,507 1,508 1.052,509 1.149,510 1.009,511 1.09,512 1.06,513 0.861,514 1.074,515 0.849,516 1.115,517 1.006,518 1.169,519 0.825,520 1.121,521 0.591,522 1.021,523 0.711,524 0.972,525 0.494,526 0.892,527 1.257,528 1.099,529 1.139,530 1.081,531 1.339,532 1.093,533 5.5,534 0.062,535 2.444,536 1.75,537 1.551,538 0.729,539 0.627,540 0.358,541 0.226,542 0.159,543 5249,544 14575,545 2.041,546 47.7,547 4,548 9,550 1,551 6,554 1,555 1.66,556 1.89,557 3.19,558 3.623,559 1,560 1,562 1,564 70.367,565 1.599,566 3.865,567 4.942,568 5.079,569 5.079,570 5.079,571 2.637,572 4.437,573 4.495,574 3.304,575 836.031,576 7.755,577 9382.98,579 1,582 240.215,583 1.478,584 4.443,585 0.22,586 0.008,587 0.07,588 0.047,589 0.048,590 0.026,591 0.025,592 0.014,593 0.011,594 0.011,595 0.481,596 0.17,597 1,598 0.942,599 106.637,600 -0.176,601 -0.006,602 0.006,603 0.075,604 -0.199,605 0.08,607 0.223,608 0.06,609 0.156,610 0.051,611 0.113,612 -0.022,613 -0.186,614 -0.08,615 -0.161,616 -0.037,617 -0.135,618 -0.051,619 0.062,620 -0.09,621 -0.039,622 -0.046,623 -0.066,624 -0.165,625 -0.043,626 -0.125,627 -0.038,628 -0.086,629 -0.071,630 -0.053,631 -0.142,632 -0.06,633 -0.148,634 -0.058,635 -0.107,636 0.36,637 -0.155,638 0.278,639 0.017,640 0.298,641 0.113,642 -0.105,643 -0.122,644 -0.134,645 -0.158,646 -0.147,647 -0.161,648 1.496,649 3.394,650 0.696,651 17.637,652 1.005,653 1.142,654 1.767,655 3.121,656 0.637,657 3.258,658 3.584,659 3.85,660 4.111,661 4.369,662 4.431,663 4.533,664 4.615,665 4.71,666 4.654,667 5.465,668 0.608,669 315.42,670 3.258,671 4.796,672 5.645,673 6.526,674 7.394,675 8.28,676 9.155,677 10.043,678 10.921,679 11.81,680 11.4,684 2,685 1,690 2,695 3,696 2,700 7,702 12,711 2,712 1,716 1,718 44,719 12,720 1,721 25,723 46,724 16,725 10,726 4,727 2,729 3,730 4,734 1,736 1,737 1,739 2,741 10,742 6,743 1,753 1,754 1,757 21,758 7,759 6,760 7,764 5,769 0.667,770 2,771 1,776 1,781 3,785 1,800 1,802 2,806 1,810 23,811 2,815 1,816 4,817 1,818 1,820 1,829 4.5,830 1,834 1,836 12.167,837 7.767,838 5.167,839 2.358,840 2.268,841 1.323,842 0.958,843 4.661,844 9.294,845 3.466,846 4.06,847 4.6,848 5.142,849 5.676,850 5.853,851 6.113,852 6.481,853 6.832,854 7.04,855 1,856 37,857 8.459,859 3.559,860 7.804,861 16.113,863 13.213,865 2.304,866 53,870 176.567,871 67.842,872 117.376,874 53.683,877 67.842,878 230.25,879 117.376,880 10.883,881 7.175,882 127.43,883 63.353,884 37.604,885 4.227,886 164.795,888 176.567,889 185.218,890 53.683,893 164.795,894 22.771,895 42.683,897 18.121,898 115.515,899 51.582,901 176.567,902 171.059,903 67.842,906 176.567,907 28.959,908 38.883,909 18.011,910 153.049,911 176.567,912 171.059,913 67.842,915 0.579,916 0.346,917 0.187,918 0.106,919 17,920 8,921 0.087,922 4,923 1,924 1.125,925 3.446,926 184.083,927 0.125,928 16,929 104.042,933 15.992,934 6.703,935 3.392,937 171.059,938 5.752,939 7.994,943 5.375,945 126.488,946 415.468,947 31,956 44.232,957 50.232,958 0.293,959 0.708,960 0.905,961 0.93,962 0.93,963 0.93,964 4.71,965 1.202,966 5.638,967 3.691,968 4.263,969 4.745,970 1.315,971 6.447,972 4.178,973 5.912,974 0.541,975 7.198,976 3.015,977 3.892,978 4.62,980 7.322,981 3.794,982 7.223,983 0.396,984 8.851,985 0.923,986 5.861,987 6.922,988 0.945,989 10.397,990 5.717,991 8.565,992 0.32,993 10.556,994 0.817,995 6.256,996 7.556,998 12.053,999 6.094,1000 9.936,1001 -0.251,1002 12.294,1003 0.545,1004 7.716,1005 9.379,1006 0.701,1007 14.657,1008 7.521,1009 11.326,1010 -0.484,1011 14.056,1012 -0.612,1013 8.477,1014 10.375,1016 16.672,1017 8.26,1018 12.732,1019 -0.514,1020 15.835,1021 -1.146,1022 9.728,1023 11.991,1024 0.525,1025 19.103,1026 9.484,1027 3.108,1028 -0.73,1029 17.627,1030 -1.242,1031 10.671,1032 13.176,1034 21.286,1035 10.403,1036 2.863,1037 10.391,1038 19.432,1039 -1.779,1040 11.836,1041 14.69,1042 0.395,1043 23.65,1044 11.543,1045 2.441,1046 8.847,1047 21.246,1048 4.12,1049 12.868,1050 15.973,1052 25.912,1053 12.549,1054 2.254,1055 7.116,1056 23.068,1057 3.876,1058 13.998,1059 17.434,1060 0.298,1061 28.253,1062 13.656,1063 2.005,1064 6.698,1065 24.897,1066 2.946,1067 15.073,1068 18.771,1070 30.551,1071 14.706,1072 1.895,1073 5.704,1074 26.732,1075 2.701,1076 16.192,1077 20.204,1078 0.224,1079 32.885,1080 15.801,1081 1.424,1082 5.621,1083 28.572,1084 2.651,1085 17.289,1086 21.57,1088 35.201,1089 16.873,1090 5192,1091 8728,1092 16.414,1093 28.029,1094 36.853,1095 37.963,1096 38.76,1097 36.801,1098 36.898,1099 46.191,1100 3.88,1101 106.735,1102 35.111,1103 5.391,1104 5.332,1105 6.097,1106 5.152,1107 5.108,1108 7.12,1109 1.72,1110 17.358,1111 5.032,1112 12.14,1113 1.474,1114 1.519,1115 1.55,1116 1.472,1117 1.476,1118 1.848,1119 0.155,1120 4.269,1121 1.404,1122 4.038,1123 4.069,1124 3.985,1125 3.956,1126 6.456,1127 3.958,1128 3.849,1129 3.904,1130 3.806,1131 3.69,1132 5.291,1133 3.71,1134 3.607,1135 3.653,1136 3.492,1137 3.465,1138 4.979,1139 3.465,1140 3.297,1141 3.36,1142 3.165,1143 3.051,1144 4.851,1145 3.071,1146 3.176,1147 3.255,1148 3.014,1149 2.934,1150 4.46,1151 2.939,1152 3.075,1153 3.184,1154 2.917,1155 2.778,1156 4.388,1157 2.791,1158 2.98,1159 3.09,1160 2.799,1161 2.74,1162 4.118,1163 2.738,1164 2.913,1165 3.007,1166 2.72,1167 2.608,1168 3.745,1169 2.633,1170 0.178,1171 0.133,1172 0.262,1173 0.163,1174 0.124,1175 4.446,1176 0.165,1177 3.332,1178 0.034,1179 6.548,1180 0.416,1181 4.083,1182 0.121,1183 3.108,1184 4.12,1185 0.86,1186 10.391,1187 3.032,1188 1.993,1189 1.968,1190 2.1,1191 2.1,1192 1.397,1193 2.101,1194 1.782,1195 1.735,1196 1.907,1197 1.972,1198 1.15,1199 1.95,1200 1.579,1201 1.533,1202 1.74,1203 1.761,1204 0.851,1205 1.763,1206 1.23,1207 1.165,1208 1.57,1209 1.531,1210 0.588,1211 1.543,1212 1.121,1213 1.047,1214 1.395,1215 1.425,1216 0.533,1217 1.422,1218 1.006,1219 0.907,1220 1.337,1221 1.358,1222 0.479,1223 1.35,1224 0.944,1225 0.857,1226 1.266,1227 1.254,1228 0.32,1229 1.275,1230 0.854,1231 0.739,1232 1.201,1233 1.183,1234 0.009,1235 1.203,1236 3.932,1238 5.252,1240 6.779,1242 8.402,1244 10.075,1246 1.653,1250 11.447,1251 9.394,1252 2.325,1253 3.342,1254 5.502,1256 0.215,1262 26.751,1263 70.367,1264 170.076,1265 217.46,1266 223.46,1267 223.46,1268 223.46,1269 37.597,1270 7.026,1271 119.31,1272 119.31,1273 18,1274 12.342,1275 3.7,1276 2.807,1277 36.732,1278 75,1279 76,1280 0.244,1281 166.467,1282 283.22,1283 397.94,1284 9530,1286 16.397,1287 0.713,1288 0.567,1289 16.397,1290 13.042,1291 11.101,1292 0.444,1293 0.301,1294 7.383,1295 10.595,1296 7.194,1297 5.973,1298 11.101,1299 7.517,1300 9.908,1301 0.283,1302 0.165,1303 9.908,1304 5.781,1305 8.374,1306 0.182,1307 0.089,1308 8.374,1309 4.109,1310 6.943,1311 0.116,1312 0.049,1313 6.943,1314 2.91,1315 5.733,1316 0.074,1317 0.027,1318 5.733,1319 2.114,1320 0.375,1321 70.322,1322 0.247,1323 22.303,1324 0.693,1325 120,1326 342.133,1327 132.089,1328 330.94,1329 450.89,1330 310,1331 141,1332 327.723,1333 152.868,1334 335.769,1335 487.57,1336 313,1337 4.194}
{0 CHEMBL294131,1 1.711,2 10.043,3 1.81,4 3.275,5 88.148,6 7.884,7 0.64,8 3.829,9 3.948,10 3.423,11 3.242,12 5.054,13 3.279,14 4.299,15 4.463,16 3.766,17 3.597,18 5.511,19 3.617,20 4.412,21 4.573,22 3.818,23 3.695,24 5.57,25 3.702,26 4.53,27 4.708,28 3.784,29 3.714,30 5.76,31 3.679,32 4.618,33 4.866,34 3.488,35 3.65,36 5.662,37 3.558,38 4.44,39 4.687,40 3.374,41 3.526,42 5.362,43 3.437,44 4.276,45 4.496,46 3.421,47 3.423,48 5.342,49 3.375,50 4.291,51 4.536,52 3.374,53 3.322,54 5.426,55 3.273,56 0.146,57 0.613,58 7.95,59 2.98,60 13.469,61 3.85,62 0.429,63 0.897,64 14.86,65 5.04,66 32.625,67 6.513,68 0.345,69 1.007,70 15.898,71 5.358,72 22.904,73 7.325,74 0.567,75 1.047,76 18.73,77 6.379,78 44.388,79 8.792,80 0.71,81 0.998,82 24.074,83 6.565,84 62.03,85 9.598,86 0.459,87 0.835,88 20.231,89 6.257,90 38.129,91 9.016,92 0.368,93 0.765,94 15.887,95 5.02,96 27.698,97 7.184,98 0.5,99 0.714,100 17.298,101 4.737,102 40.954,103 7.241,104 21,105 35,106 0.303,107 0.709,108 0.818,109 0.848,110 0.857,111 0.883,112 3.188,113 0.828,114 -2.73,115 -2.75,116 -2.67,119 37.5,124 2,125 1,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 1,158 1,159 1,166 2,169 1,170 5,172 2,173 4,175 5,178 1,182 4,185 1,187 4,189 1,192 1,193 1,196 2,197 4,198 1,200 2,201 1,204 1,207 1,210 3,211 1,212 1,215 3,218 1,221 1,226 1,229 2,234 3,237 1,238 1,239 3,240 1,245 2,246 5,249 1,251 2,263 1,265 1,270 1,273 665,274 15.618,275 15.618,276 15.618,277 15.618,278 15.618,279 13.668,280 21.889,281 9.024,282 16.276,283 12.197,284 12.197,285 12.197,286 12.197,287 12.197,288 9.114,289 30.402,290 4.093,291 13.08,292 3.611,293 1.319,294 0.707,295 0.538,296 0.488,297 0.338,298 3.867,300 1,301 1,302 1,303 491,304 2.828,306 48.914,307 134.403,310 91.767,314 1.27,315 24.112,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51.5,327 231,328 4.638,329 3.301,330 6.78,331 4.152,332 3.189,333 4.608,334 0.86,335 11.108,336 3.073,337 4.265,338 3.15,339 6.172,340 3.854,341 2.9,342 3.91,343 0.86,344 9.165,345 2.761,346 3.711,347 2.673,348 5.311,349 3.276,350 2.347,351 3.155,352 0.657,353 6.72,354 2.176,355 3.544,356 2.525,357 5.219,358 3.155,359 2.231,360 2.857,362 6.49,363 2.055,364 3.406,365 2.184,366 5.063,367 2.884,368 1.98,369 2.787,371 5.791,372 1.785,373 3.073,374 2.096,375 4.77,376 2.713,377 1.778,378 2.243,380 5.024,381 1.658,382 2.903,383 1.843,384 4.38,385 2.498,386 1.557,387 2.043,389 4.173,390 1.457,391 2.311,392 1.186,393 3.589,394 1.823,395 0.893,396 1.232,398 2.136,399 0.827,400 2.02,401 0.942,402 3.303,403 1.681,404 0.765,405 0.937,407 1.783,408 0.697,409 1.592,410 0.919,411 2.88,412 1.32,413 0.464,414 0.512,415 0.719,416 0.394,417 1.57,418 0.797,419 2.776,420 1.294,421 0.4,422 0.453,423 0.673,424 0.355,425 1.112,426 0.165,427 2.676,428 0.706,429 -0.202,430 -0.245,431 -0.452,432 -0.182,433 0.92,434 -0.103,435 2.401,436 0.515,437 -0.39,438 -0.494,439 -0.913,440 -0.349,441 0.739,442 -0.268,443 2.179,444 0.357,445 -0.544,446 -0.647,448 -1.261,449 -0.488,450 0.578,451 -0.465,452 2.064,453 0.129,454 -0.828,455 -1.072,457 -2.107,458 -0.775,459 10.5,460 0.457,461 0.554,462 0.024,463 32.5,464 1.413,465 16.5,466 0.717,467 16,468 0.696,469 15.105,470 0.657,471 25.5,472 0.638,473 23.401,474 1.017,475 6.78,476 0.295,477 4.337,478 0.189,479 0.165,481 0.381,485 1.083,486 1.417,487 0.794,488 1.107,489 1.108,490 0.902,491 1.069,492 0.877,493 0.775,494 0.796,495 0.665,496 0.74,497 1.035,498 1.373,499 0.929,500 1.181,501 0.883,502 1.047,503 0.775,504 1.241,505 1.07,506 1.349,507 0.777,508 1.3,509 1.107,510 0.745,511 1.213,512 0.903,513 1.324,514 1.052,515 0.994,516 0.921,517 0.949,518 0.944,519 0.787,520 0.952,521 0.88,522 1.023,523 0.92,524 1.058,525 0.766,526 1.009,527 0.774,528 0.966,529 0.824,530 0.936,531 0.809,532 0.894,533 5,534 0.098,535 2.667,536 1.91,537 1.383,538 0.663,539 0.36,540 0.346,541 0.225,542 0.208,543 5508,544 17259,545 2.041,546 42.5,548 11,549 1,551 5,555 1.656,556 1.89,557 3.277,558 2.761,559 1,560 1,562 1,564 68.422,565 1.711,566 4.003,567 4.615,568 4.784,569 4.834,570 4.984,571 2.649,572 4.437,573 4.497,574 3.399,575 859.965,576 7.736,577 9778.23,578 1,579 1,581 1,582 212.877,583 1.478,584 4.443,585 0.2,586 0.009,587 0.076,588 0.053,589 0.043,590 0.029,591 0.016,592 0.015,593 0.011,594 0.013,595 0.465,596 0.17,597 1,598 0.942,599 107.678,600 -0.194,601 -0.172,602 0.012,603 -0.034,604 -0.231,605 0.037,606 -0.029,607 0.238,608 0.128,609 0.226,610 0.116,611 0.205,612 -0.122,613 -0.239,614 -0.059,615 -0.15,616 -0.087,617 -0.095,618 0.175,619 -0.167,620 -0.166,621 -0.339,622 0.165,623 -0.344,624 -0.123,625 0.188,626 -0.206,627 0.034,628 -0.207,629 -0.083,630 -0.098,631 -0.046,632 0.052,633 0.077,634 -0.048,635 0.093,636 -0.002,637 -0.044,638 0.036,639 -0.052,640 0.009,641 -0.007,642 0.19,643 -0.063,644 0.194,645 0.021,646 0.202,647 0.101,648 1.813,649 3.968,650 0.652,651 17.214,652 1.02,653 1.14,654 1.501,655 2.254,656 0.649,657 3.258,658 3.584,659 3.871,660 4.143,661 4.29,662 4.344,663 4.357,664 4.419,665 4.454,666 4.5,667 5.768,668 0.635,669 315.37,670 3.258,671 4.796,672 5.652,673 6.538,674 7.41,675 8.301,676 9.178,677 10.07,678 10.951,679 11.844,680 12.5,684 1,685 1,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 1,712 1,715 1,716 2,718 40,719 16,720 1,721 25,723 42,724 15,725 12,726 3,727 3,729 3,730 4,741 12,742 3,753 1,754 1,757 17,758 7,759 5,760 8,764 5,769 0.667,770 3,776 1,777 1,780 1,781 2,784 1,802 2,806 2,810 23,811 1,815 1,816 1,817 1,818 2,829 7.5,831 1,834 2,836 12.167,837 7.6,838 5.194,839 1.986,840 3.171,841 1.453,842 0.964,843 4.449,844 10.177,845 3.526,846 4.186,847 4.825,848 5.443,849 5.914,850 6.185,851 6.444,852 6.767,853 6.886,854 7.133,855 0.857,856 36,857 8.413,859 3.509,860 7.884,861 15.653,863 12.291,865 2.384,866 54.833,870 141.253,871 83.965,872 101.265,874 64.683,877 83.965,878 205.936,879 101.265,880 21.766,881 2.106,882 70.373,883 95.98,884 57.787,885 13.67,886 129.482,888 141.253,889 185.229,890 64.683,893 141.253,894 64.683,897 22.506,898 111.142,899 51.582,901 141.253,902 165.948,903 83.965,906 141.253,907 24.722,908 59.242,909 34.796,910 131.151,911 141.253,912 165.948,913 83.965,915 0.578,916 0.352,917 0.196,918 0.1,919 17,920 8,921 0.119,922 5,923 1,924 1.133,925 3.486,926 181.723,927 0.133,928 15,929 104.042,933 15.704,934 6.516,935 3.132,936 1.035,937 149.162,938 7.239,939 7.83,940 2.971,943 2.865,945 110.377,946 391.165,947 33,956 40.793,957 45.611,958 0.321,959 0.752,960 0.867,961 0.899,962 0.908,963 0.937,964 4.754,965 0.893,966 5.645,967 4.173,968 4.263,969 4.871,970 1.573,971 6.472,972 4.136,973 5.984,974 0.765,975 7.216,976 2.136,977 3.892,978 4.808,980 7.416,981 3.727,982 7.312,983 0.464,984 8.884,985 1.783,986 5.872,987 7.177,988 1.27,989 10.511,990 5.652,991 8.68,992 0.4,993 10.609,994 0.719,995 6.312,996 7.943,998 12.295,999 6.06,1000 10.079,1001 -0.202,1002 12.372,1003 0.673,1004 7.768,1005 9.795,1006 1.022,1007 14.919,1008 7.475,1009 11.5,1010 -0.39,1011 14.162,1012 -0.452,1013 8.585,1014 10.955,1016 17.062,1017 8.262,1018 12.94,1019 -0.544,1020 15.973,1021 -0.913,1022 9.839,1023 12.603,1024 0.818,1025 19.531,1026 9.481,1027 3.189,1028 -0.828,1029 17.8,1030 -1.261,1031 10.833,1032 13.952,1034 21.824,1035 10.443,1036 2.9,1037 11.108,1038 19.641,1039 -2.107,1040 12.011,1041 15.518,1042 0.65,1043 24.241,1044 11.588,1045 2.347,1046 9.165,1047 21.493,1048 4.608,1049 13.086,1050 16.958,1052 26.595,1053 12.629,1054 2.231,1055 6.72,1056 23.354,1057 3.91,1058 14.237,1059 18.492,1060 0.511,1061 28.997,1062 13.746,1063 1.98,1064 6.49,1065 25.223,1066 3.155,1067 15.349,1068 19.973,1070 31.377,1071 14.823,1072 1.778,1073 5.791,1074 27.099,1075 2.857,1076 16.492,1077 21.497,1078 0.399,1079 33.776,1080 15.932,1081 1.557,1082 5.024,1083 28.979,1084 2.787,1085 17.622,1086 22.999,1088 36.169,1089 17.026,1090 5431,1091 9728,1092 16.414,1093 25.96,1094 37.027,1095 37.795,1096 38.936,1097 36.972,1098 37.011,1099 49.478,1100 4.755,1101 107.564,1102 34.47,1103 5.484,1104 5.301,1105 6.339,1106 5.225,1107 5.189,1108 7.608,1109 1.72,1110 17.998,1111 5.073,1112 12.21,1113 1.481,1114 1.512,1115 1.557,1116 1.479,1117 1.48,1118 1.979,1119 0.19,1120 4.303,1121 1.379,1122 4.108,1123 4.151,1124 4.081,1125 3.968,1126 6.476,1127 3.991,1128 3.915,1129 3.935,1130 3.87,1131 3.814,1132 5.221,1133 3.824,1134 3.456,1135 3.532,1136 3.383,1137 3.214,1138 4.932,1139 3.248,1140 3.315,1141 3.374,1142 3.185,1143 3.021,1144 4.809,1145 3.05,1146 3.229,1147 3.31,1148 3.059,1149 2.943,1150 4.581,1151 2.955,1152 3.116,1153 3.211,1154 2.944,1155 2.841,1156 4.292,1157 2.848,1158 2.99,1159 3.057,1160 2.851,1161 2.669,1162 4.14,1163 2.711,1164 2.778,1165 2.854,1166 2.583,1167 2.637,1168 3.944,1169 2.615,1170 0.186,1171 0.132,1172 0.271,1173 0.166,1174 0.128,1175 4.638,1176 0.184,1177 3.301,1178 0.034,1179 6.78,1180 0.444,1181 4.152,1182 0.123,1183 3.189,1184 4.608,1185 0.86,1186 11.108,1187 3.073,1188 1.888,1189 1.867,1190 1.98,1191 2.022,1192 1.12,1193 2.006,1194 1.801,1195 1.774,1196 1.845,1197 1.982,1198 1.004,1199 1.942,1200 1.55,1201 1.486,1202 1.704,1203 1.764,1204 0.722,1205 1.757,1206 1.232,1207 1.169,1208 1.588,1209 1.561,1210 0.584,1211 1.565,1212 1.171,1213 1.089,1214 1.546,1215 1.49,1216 0.561,1217 1.502,1218 1.082,1219 0.983,1220 1.343,1221 1.412,1222 0.365,1223 1.411,1224 0.938,1225 0.848,1226 1.206,1227 1.276,1228 0.164,1229 1.262,1230 0.806,1231 0.736,1232 1.098,1233 1.001,1234 0.016,1235 1.034,1236 3.932,1238 5.252,1239 2.398,1240 6.772,1241 4.727,1242 8.387,1243 6.843,1244 10.053,1246 3.191,1250 5.518,1251 9.968,1252 0.448,1253 3.253,1254 10.516,1262 25.412,1263 68.422,1264 160.122,1265 184.612,1266 191.367,1267 193.367,1268 199.367,1269 33.361,1270 7.006,1271 118.31,1272 118.31,1273 17,1274 12.373,1275 4.087,1276 3.17,1277 36.924,1278 81,1279 79,1280 0.23,1281 157.944,1282 261.17,1283 377.143,1284 9760,1286 16.397,1287 0.713,1288 0.554,1289 16.397,1290 12.752,1291 11.118,1292 0.445,1293 0.276,1294 6.728,1295 10.446,1296 6.549,1297 5.473,1298 11.118,1299 6.904,1300 9.822,1301 0.281,1302 0.139,1303 9.822,1304 4.863,1305 8.392,1306 0.179,1307 0.074,1308 8.392,1309 3.489,1310 7.247,1311 0.117,1312 0.038,1313 7.247,1314 2.368,1315 5.369,1316 0.075,1317 0.02,1318 5.369,1319 1.457,1320 0.359,1321 71.528,1322 0.247,1323 22.506,1324 0.632,1325 120,1326 402.889,1327 136.769,1328 381.954,1329 522.5,1330 358,1331 142,1332 387.262,1333 158.356,1334 392.003,1335 571.07,1336 365,1337 4.796}
{0 CHEMBL294377,1 1.565,2 9.318,3 2.788,4 7.773,5 87.859,6 7.574,7 0.708,8 3.774,9 3.906,10 3.349,11 3.289,12 4.964,13 3.285,14 4.247,15 4.424,16 3.701,17 3.657,18 5.408,19 3.631,20 4.391,21 4.558,22 3.75,23 3.803,24 5.493,25 3.757,26 4.548,27 4.774,28 3.629,29 3.799,30 5.609,31 3.706,32 4.533,33 4.784,34 3.453,35 3.689,36 5.498,37 3.579,38 4.339,39 4.585,40 3.327,41 3.521,42 5.314,43 3.416,44 4.27,45 4.542,46 3.225,47 3.381,48 5.24,49 3.272,50 4.038,51 4.288,52 3.113,53 3.209,54 5.038,55 3.124,56 0.048,57 0.612,58 7.808,59 3.089,60 10.589,61 4.139,62 0.262,63 0.914,64 14.142,65 5.445,66 24.953,67 7.306,68 0.118,69 1.08,70 15.507,71 5.922,72 16.875,73 8.184,74 0.229,75 1.143,76 20.128,77 7.087,78 35.537,79 10.156,80 0.279,81 1.037,82 21.3,83 6.921,84 35.783,85 10.013,86 0.165,87 0.881,88 17.032,89 5.74,90 25.494,91 8.437,92 0.261,93 0.785,94 16.914,95 5.506,96 29.511,97 8.073,98 0.1,99 0.653,100 12.614,101 4.152,102 16.12,103 6.217,104 18,105 34,106 0.278,107 0.651,108 0.814,109 0.868,110 0.868,111 0.868,112 3.147,113 0.86,114 -4.14,115 -4.09,116 -3.87,119 41,120 1,121 1,124 1,139 4,140 4,142 1,143 1,144 2,147 1,157 2,158 2,159 2,166 9,169 2,170 6,172 3,173 3,175 1,178 11,180 1,182 6,187 1,189 9,191 1,193 8,195 1,196 1,197 1,198 2,200 2,201 7,204 2,205 1,207 7,212 3,215 4,218 3,221 4,226 2,229 3,231 2,233 2,234 3,236 1,237 1,239 3,241 2,243 3,246 2,251 2,256 2,259 2,260 4,262 2,263 2,265 3,270 3,273 592,274 14.696,275 14.696,276 14.696,277 14.696,278 14.696,279 12.583,280 18.508,281 8.487,282 15.114,283 11.777,284 11.777,285 11.777,286 11.777,287 11.777,288 8.577,289 23.638,290 3.977,291 12.371,292 3.72,293 1.618,294 0.705,295 0.398,296 0.398,297 0.398,298 3.826,300 1,301 1,302 1,303 436,304 2.449,307 176.352,311 91.872,314 1.409,315 17.545,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47.5,327 205,328 4.545,329 3.204,330 6.502,331 4.069,332 3.087,333 4.492,334 0.86,335 10.18,336 3.034,337 4.243,338 3.071,339 6.091,340 3.833,341 2.871,342 3.89,343 0.68,344 8.86,345 2.768,346 3.79,347 2.669,348 5.379,349 3.383,350 2.418,351 3.264,353 7.013,354 2.339,355 3.558,356 2.514,357 5.258,358 3.129,359 2.207,360 2.933,362 6.557,363 2.021,364 3.429,365 2.214,366 4.991,367 2.995,368 2.056,369 2.759,371 5.799,372 1.922,373 3.228,374 1.961,375 4.861,376 2.784,377 1.813,378 2.523,380 5.317,381 1.756,382 2.824,383 1.547,384 4.126,385 2.35,386 1.414,387 1.953,389 3.645,390 1.32,391 2.556,392 1.309,393 3.812,394 2.123,395 1.141,396 1.577,398 2.844,399 1.117,400 1.671,401 0.941,402 3.086,403 1.357,404 0.457,405 0.529,407 0.957,408 0.402,409 1.595,410 0.631,411 2.897,412 1.275,413 0.366,414 0.437,415 0.665,416 0.336,417 1.155,418 0.044,419 2.659,420 0.773,421 -0.191,422 -0.246,423 -0.444,424 -0.183,425 1.104,426 -0.108,427 2.364,428 0.694,429 -0.272,430 -0.361,431 -0.741,432 -0.262,433 0.798,434 -0.314,435 2.357,436 0.393,437 -0.514,438 -0.621,439 -1.242,440 -0.466,441 0.655,442 -0.383,443 2.237,444 0.249,445 -0.706,446 -0.909,448 -1.795,449 -0.67,450 0.443,451 -0.723,452 2,453 0.063,454 -0.92,455 -1.192,457 -2.475,458 -0.898,459 10.333,460 0.47,461 0.609,462 0.028,463 32,464 1.455,465 17.5,466 0.795,467 14.5,468 0.659,469 14.652,470 0.666,471 23.267,472 0.597,473 21.797,474 0.991,475 6.412,476 0.291,477 4.151,478 0.189,479 0.174,481 0.387,485 1.036,486 1.233,487 0.809,488 0.999,489 1.243,490 0.88,491 0.825,492 0.797,493 0.708,494 0.785,495 0.538,496 0.755,497 0.991,498 1.278,499 1.039,500 1.177,501 0.917,502 1.121,503 0.88,504 1.038,505 1.115,506 1.165,507 0.937,508 1.168,509 1.201,510 0.94,511 1.107,512 0.994,513 1.061,514 1.034,515 0.926,516 1.124,517 1.041,518 1.134,519 0.998,520 1.108,521 0.872,522 0.805,523 0.866,524 0.869,525 0.742,526 0.879,527 0.824,528 1.219,529 0.872,530 1.11,531 0.923,532 1.012,533 5.5,534 0.091,535 2.444,536 1.75,537 1.591,538 0.583,539 0.424,540 0.311,541 0.243,542 0.134,543 4832,544 13478,545 2.043,546 43.6,547 5,548 7,550 1,551 4,555 1.644,556 1.886,557 3.199,558 1.87,559 1,560 1,562 1,564 61.034,565 1.565,566 3.667,567 4.58,568 4.888,569 4.888,570 4.888,571 2.681,572 4.005,573 4.432,574 3.321,575 767.256,576 7.608,577 8361.01,578 1,579 1,580 1,581 1,582 206.131,583 1.495,584 4.376,585 0.229,586 0.011,587 0.072,588 0.05,589 0.055,590 0.024,591 0.02,592 0.016,593 0.014,594 0.009,595 0.501,596 0.5,597 1,598 0.853,599 100.885,600 -0.138,601 -0.041,602 0.022,603 0.029,604 -0.271,605 0.054,606 0.226,607 0.282,608 0.201,609 0.238,610 0.287,611 0.208,612 -0.163,613 -0.158,614 -0.178,615 -0.159,616 -0.15,617 -0.168,618 -0.053,619 -0.02,620 -0.184,621 -0.177,622 -0.038,623 -0.194,624 -0.183,625 -0.011,626 -0.116,627 -0.01,628 -0.148,629 -0.046,630 -0.077,631 -0.174,632 -0.075,633 -0.144,634 -0.102,635 -0.113,636 0.106,637 0.086,638 0.154,639 0.11,640 0.165,641 0.126,642 0.02,643 -0.277,644 0.105,645 -0.126,646 0.018,647 -0.016,648 1.484,649 1.885,650 0.727,651 16.529,652 1.004,653 1.133,654 2.913,655 8.483,656 0.668,657 3.219,658 3.555,659 3.807,660 4.06,661 4.304,662 4.344,663 4.382,664 4.511,665 4.625,666 4.564,667 5.488,668 0.641,669 295.38,670 3.219,671 4.762,672 5.609,673 6.491,674 7.354,675 8.238,676 9.108,677 9.993,678 10.865,679 11.751,680 12.8,684 2,690 3,694 2,695 5,696 3,700 6,702 17,711 2,716 1,718 39,719 17,720 1,721 24,723 41,724 16,725 13,726 3,727 3,729 3,730 4,734 1,739 1,741 13,742 3,753 1,754 1,757 17,758 6,759 4,760 6,764 5,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 2,810 22,811 2,816 1,818 1,829 2.6,834 1,836 11.667,837 7.6,838 4.833,839 2.074,840 3.381,841 1.486,842 1.003,843 3.818,844 10.338,845 3.512,846 4.19,847 4.802,848 5.417,849 6.023,850 6.312,851 6.644,852 7.107,853 7.528,854 7.687,855 1,856 35,857 8.04,859 3.336,860 7.742,861 15.23,863 12.158,865 2.242,866 49.333,870 153.024,871 92.511,872 116.151,874 11,877 92.511,878 164.024,879 116.151,880 19.708,881 2.535,882 103.699,883 62.128,884 34.321,885 9.042,886 141.253,888 153.024,889 208.662,890 11,893 153.024,894 11,897 24.45,898 133.855,899 50.357,901 153.024,902 127.151,903 92.511,906 153.024,907 25.85,908 66.661,910 127.151,911 153.024,912 127.151,913 92.511,915 0.586,916 0.344,917 0.183,918 0.103,919 17,920 8,921 0.073,922 3,923 1,924 1.125,925 3.386,926 172.129,927 0.125,928 16,929 98.107,933 14.544,934 5.776,935 2.975,936 1.996,937 127.151,938 9.723,939 12.462,943 4.242,945 65.794,946 372.686,947 32.5,956 39.138,957 44.192,958 0.296,959 0.694,960 0.867,961 0.925,962 0.925,963 0.925,964 4.738,965 1.141,966 5.609,967 3.645,968 4.234,969 4.875,970 1.225,971 6.415,972 4.15,973 5.98,974 0.457,975 7.169,976 2.844,977 3.892,978 4.808,980 7.273,981 3.783,982 7.307,983 0.366,984 8.821,985 0.957,986 5.832,987 7.174,988 0.925,989 10.345,990 5.688,991 8.667,992 -0.191,993 10.524,994 0.665,995 6.236,996 7.87,998 11.974,999 6.075,1000 10.053,1001 -0.272,1002 12.259,1003 -0.444,1004 7.685,1005 9.746,1006 0.697,1007 14.576,1008 7.498,1009 11.458,1010 -0.514,1011 14.017,1012 -0.741,1013 8.447,1014 10.825,1016 16.561,1017 8.247,1018 12.879,1019 -0.706,1020 15.792,1021 -1.242,1022 9.693,1023 12.487,1024 0.525,1025 18.983,1026 9.472,1027 3.087,1028 -0.92,1029 17.58,1030 -1.795,1031 10.634,1032 13.768,1034 21.138,1035 10.399,1036 2.871,1037 10.18,1038 19.379,1039 -2.475,1040 11.794,1041 15.332,1042 0.395,1043 23.488,1044 11.541,1045 2.418,1046 8.86,1047 21.188,1048 4.492,1049 12.821,1050 16.718,1052 25.723,1053 12.554,1054 2.207,1055 7.013,1056 23.005,1057 3.89,1058 13.947,1059 18.238,1060 0.298,1061 28.046,1062 13.663,1063 2.056,1064 6.557,1065 24.829,1066 3.264,1067 15.017,1068 19.678,1070 30.319,1071 14.717,1072 1.813,1073 5.799,1074 26.658,1075 2.933,1076 16.131,1077 21.18,1078 0.224,1079 32.632,1080 15.815,1081 1.414,1082 5.317,1083 28.492,1084 2.759,1085 17.221,1086 22.647,1088 34.924,1089 16.889,1090 4754,1091 8042,1092 15.72,1093 26.051,1094 35.791,1095 36.325,1096 37.338,1097 35.598,1098 35.665,1099 48.713,1100 3.08,1101 103.676,1102 34.028,1103 5.306,1104 5.204,1105 6.036,1106 5.138,1107 5.087,1108 7.492,1109 1.72,1110 17.106,1111 5.034,1112 11.745,1113 1.491,1114 1.514,1115 1.556,1116 1.483,1117 1.486,1118 2.03,1119 0.128,1120 4.32,1121 1.418,1122 4.095,1123 4.12,1124 4.058,1125 4.029,1126 5.291,1127 4.032,1128 3.863,1129 3.917,1130 3.828,1131 3.711,1132 5.026,1133 3.732,1134 3.543,1135 3.584,1136 3.465,1137 3.416,1138 4.978,1139 3.423,1140 3.293,1141 3.357,1142 3.144,1143 3.046,1144 4.594,1145 3.061,1146 3.145,1147 3.247,1148 3.008,1149 2.919,1150 4.441,1151 2.93,1152 3.031,1153 3.13,1154 2.857,1155 2.823,1156 4.163,1157 2.815,1158 2.969,1159 3.08,1160 2.801,1161 2.658,1162 4.019,1163 2.677,1164 2.805,1165 2.904,1166 2.6,1167 2.598,1168 3.747,1169 2.586,1170 0.189,1171 0.133,1172 0.271,1173 0.17,1174 0.129,1175 4.545,1176 0.187,1177 3.204,1178 0.036,1179 6.502,1180 0.424,1181 4.069,1182 0.126,1183 3.087,1184 4.492,1185 0.86,1186 10.18,1187 3.034,1188 2.057,1189 2.036,1190 2.132,1191 2.139,1192 1.299,1193 2.137,1194 1.791,1195 1.748,1196 1.887,1197 1.974,1198 1.035,1199 1.948,1200 1.51,1201 1.469,1202 1.684,1203 1.681,1204 0.72,1205 1.684,1206 1.241,1207 1.174,1208 1.591,1209 1.535,1210 0.588,1211 1.556,1212 1.098,1213 1.011,1214 1.388,1215 1.398,1216 0.417,1217 1.398,1218 1.018,1219 0.935,1220 1.298,1221 1.294,1222 0.315,1223 1.309,1224 0.892,1225 0.778,1226 1.223,1227 1.229,1228 0.165,1229 1.246,1230 0.806,1231 0.713,1232 1.118,1233 1.064,1235 1.09,1236 3.892,1238 5.22,1240 6.749,1242 8.371,1244 10.041,1246 3.655,1250 11.403,1252 0.625,1254 5.229,1262 24.983,1263 61.034,1264 143.011,1265 178.621,1266 190.621,1267 190.621,1268 190.621,1269 27.793,1270 6.957,1271 99.94,1272 99.94,1273 18,1274 12.285,1275 4.17,1276 3.248,1277 34.528,1278 73,1279 70,1280 0.238,1281 156.616,1282 258.25,1283 373.904,1284 8885,1286 15.69,1287 0.713,1288 0.568,1289 15.69,1290 12.498,1291 10.563,1292 0.44,1293 0.287,1294 6.77,1295 10.141,1296 6.524,1297 5.473,1298 10.563,1299 6.877,1300 9.717,1301 0.286,1302 0.151,1303 9.717,1304 5.148,1305 8.045,1306 0.183,1307 0.081,1308 8.045,1309 3.578,1310 6.684,1311 0.117,1312 0.042,1313 6.684,1314 2.422,1315 5.407,1316 0.074,1317 0.023,1318 5.407,1319 1.652,1320 0.369,1321 66.341,1322 0.252,1323 21.571,1324 0.663,1325 116,1326 333.295,1327 127.093,1328 329.053,1329 456.4,1330 308,1331 136,1332 344.334,1333 146.152,1334 354.212,1335 512.57,1336 330,1337 5.347}
{0 CHEMBL294468,1 1.572,2 10,3 4.007,4 16.054,5 103.552,6 7.563,7 0.48,8 3.906,9 4.062,10 3.468,11 3.383,12 5.052,13 3.353,14 4.397,15 4.617,16 3.81,17 3.733,18 5.472,19 3.675,20 4.598,21 4.833,22 3.943,23 3.858,24 5.668,25 3.799,26 4.622,27 4.852,28 3.909,29 3.863,30 5.744,31 3.798,32 4.671,33 4.907,34 3.829,35 3.878,36 5.761,37 3.795,38 4.743,39 5.02,40 3.822,41 3.881,42 5.734,43 3.746,44 4.621,45 4.887,46 3.798,47 3.761,48 5.662,49 3.608,50 4.386,51 4.634,52 3.495,53 3.565,54 5.399,55 3.403,56 0.094,57 0.708,58 9.815,59 3.594,60 12.301,61 5.319,62 0.232,63 1.01,64 18.364,65 6.086,66 23.89,67 9.066,68 0.284,69 1.153,70 24.864,71 6.306,72 31.551,73 10.192,74 0.325,75 1.19,76 25.442,77 6.492,78 39.807,79 10.418,80 0.327,81 1.233,82 24.643,83 6.247,84 42.036,85 10.473,86 0.354,87 1.139,88 29.428,89 8.306,90 47.136,91 12.844,92 0.453,93 0.913,94 32.781,95 7.967,96 52.226,97 11.892,98 0.33,99 0.742,100 25.999,101 6.592,102 34.203,103 9.375,104 45,105 34,106 0.273,107 0.642,108 0.812,109 0.868,110 0.868,111 0.868,112 3.228,113 0.982,114 -4.78,115 -4.7,116 -4.41,119 34.8,120 2,121 2,124 1,125 1,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 6,169 2,170 5,172 3,173 3,175 1,178 6,180 1,182 9,187 1,189 6,191 1,193 13,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,207 9,212 4,215 4,218 4,220 2,221 3,223 1,224 1,226 2,229 2,231 2,233 2,234 4,236 1,237 1,239 2,241 5,243 2,245 2,246 2,248 2,249 2,254 6,260 1,262 1,263 1,265 1,268 2,270 1,273 832,274 15.878,275 15.878,276 15.878,277 15.878,278 15.878,279 14.205,280 20.501,281 9.406,282 16.27,283 12.208,284 12.208,285 12.208,286 12.208,287 12.208,288 9.599,289 24.81,290 4.28,291 12.917,292 3.951,293 1.829,294 0.848,295 0.527,296 0.527,297 0.527,298 3.887,299 1,300 1,301 1,302 1,303 485,304 3.391,307 164.619,314 1.5,315 21.276,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 51.833,327 240,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.4,335 11.076,336 3.094,337 4.183,338 3.11,339 6.047,340 3.725,341 2.794,342 3.814,344 8.672,345 2.583,346 3.636,347 2.584,348 5.304,349 3.301,350 2.354,351 3.012,353 6.625,354 2.226,355 3.463,356 2.385,357 5.038,358 3.169,359 2.246,360 2.582,362 6.041,363 2.057,364 3.3,365 2.226,366 5.024,367 2.932,368 1.985,369 2.546,371 5.702,372 1.876,373 3.105,374 1.966,375 4.756,376 2.68,377 1.732,378 2.315,380 4.931,381 1.635,382 2.908,383 1.807,384 4.226,385 2.462,386 1.537,387 2.02,389 3.94,390 1.369,391 2.378,392 1.113,393 3.329,394 2.084,395 1.089,396 1.245,398 1.993,399 1.083,400 1.881,401 0.831,402 3.287,403 1.558,404 0.603,405 0.741,407 1.206,408 0.557,409 1.744,410 0.625,411 2.803,412 1.503,413 0.526,414 0.63,415 1.006,416 0.512,417 1.384,418 0.377,419 2.741,420 1.04,421 0.126,422 0.151,423 0.245,424 0.107,425 1.075,426 0.018,427 2.448,428 0.641,429 -0.244,430 -0.298,431 -0.574,432 -0.193,433 0.825,434 -0.305,435 2.261,436 0.438,437 -0.478,438 -0.585,439 -0.916,440 -0.437,441 0.672,442 -0.376,443 2.216,444 0.38,445 -0.572,446 -0.595,448 -1.149,449 -0.536,450 0.428,451 -0.56,452 1.905,453 0.218,454 -0.742,455 -0.895,457 -1.912,458 -0.693,459 11.514,460 0.48,461 0.63,462 0.026,463 30,464 1.25,465 15,466 0.625,467 15,468 0.625,469 20.692,470 0.862,471 26.886,472 0.584,473 21.999,474 0.917,475 5.694,476 0.237,477 5.761,478 0.24,479 0.262,481 0.339,485 0.816,486 1.33,487 0.707,488 1.037,489 1.072,490 0.989,491 0.636,492 1.02,493 0.627,494 0.86,495 0.436,496 0.831,497 1.15,498 1.175,499 0.86,500 0.867,501 0.939,502 0.833,503 1.116,504 1.227,505 0.972,506 1.035,507 0.907,508 0.991,509 1.27,510 1.261,511 0.944,512 1.06,513 1.406,514 1.124,515 0.901,516 0.945,517 0.833,518 0.89,519 1.011,520 0.937,521 0.926,522 0.911,523 1.35,524 1.16,525 0.914,526 1.048,527 1.272,528 0.918,529 1.719,530 1.294,531 1.227,532 1.223,533 5.5,534 0.099,535 2.889,536 2.188,537 1.498,538 0.958,539 0.649,540 0.361,541 0.304,542 0.131,543 5449,544 15342,545 1.925,546 47.8,547 6,548 8,551 4,552 2,553 2,555 1.672,556 1.756,557 3.268,558 1.86,560 1,564 72.325,565 1.572,566 3.695,567 4.675,568 4.996,569 4.996,570 4.996,571 2.709,572 4.168,573 4.552,574 3.411,575 941.518,576 7.877,577 11027.7,579 1,581 1,582 254.084,583 1.555,584 4.483,585 0.22,586 0.009,587 0.085,588 0.059,589 0.042,590 0.03,591 0.022,592 0.014,593 0.016,594 0.008,595 0.506,597 1,598 1.754,599 113.682,600 0.031,601 0.009,602 0.012,603 0.007,604 -0.163,605 0.008,606 0.228,607 0.123,608 0.178,609 0.148,610 0.297,611 0.162,612 -0.103,613 -0.083,614 0.085,615 0.108,616 -0.015,617 0.129,618 -0.056,619 -0.117,620 -0.039,621 -0.067,622 0.084,623 -0.037,624 -0.251,625 -0.129,626 -0.164,627 -0.146,628 -0.29,629 -0.2,630 0.022,631 0.01,632 0.093,633 0.078,634 -0.027,635 0.042,636 0.217,637 -0.023,638 0.042,639 -0.076,640 0.17,641 -0.019,642 -0.036,643 0.016,644 -0.234,645 -0.188,646 -0.125,647 -0.198,648 1.497,649 2.117,650 0.5,651 20.556,652 1.002,653 1.147,654 3.554,655 12.632,656 0.652,657 3.258,658 3.555,659 3.784,660 4.025,661 4.205,662 4.263,663 4.29,664 4.29,665 4.29,666 4.174,667 5.811,668 0.613,669 347.9,670 3.258,671 4.779,672 5.609,673 6.482,674 7.336,675 8.217,676 9.083,677 9.969,678 10.84,679 11.729,680 15.2,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 46,719 13,720 1,721 25,723 47,724 16,725 10,726 3,727 3,729 2,730 2,731 1,734 2,739 2,741 10,742 6,744 1,750 2,754 1,757 22,758 7,759 4,760 8,761 1,764 7,769 1,776 1,781 2,802 2,806 3,807 1,810 24,811 2,816 3,821 1,828 1,836 13.667,837 9.06,838 5.528,839 2.902,840 2.721,841 1.409,842 0.946,843 6.348,844 9.375,845 3.497,846 4.078,847 4.649,848 5.226,849 5.766,850 6.058,851 6.387,852 6.709,853 7.017,854 7.206,855 0.857,856 37,857 8.784,859 3.522,860 7.762,861 16.624,863 12.756,865 2.262,866 54.278,869 1,870 211.88,871 81.263,872 135.571,873 39.149,877 81.263,878 251.028,879 135.571,880 26.047,881 10.177,882 94.223,883 33.571,884 15.385,885 37.431,886 211.88,887 39.149,888 211.88,889 216.833,891 39.149,893 188.338,894 23.542,897 32.483,898 117.576,899 105.923,901 211.88,902 135.571,903 120.411,906 211.88,907 26.787,908 57.477,910 171.718,911 211.88,912 135.571,913 120.411,915 0.57,916 0.334,917 0.182,918 0.096,919 14,920 8,921 0.128,922 6,924 1,925 3.447,926 185.164,928 12,929 110.039,933 18.43,934 8.267,935 4.564,937 135.571,938 5.456,939 8.329,943 3.961,945 65.794,946 467.862,947 32,953 8.376,956 46.105,957 52.754,958 0.285,959 0.669,960 0.846,961 0.905,962 0.905,963 0.905,964 4.718,965 1.089,966 5.602,967 3.94,968 4.234,969 4.762,970 0.278,971 6.409,972 4.126,973 5.931,974 0.603,975 7.165,976 1.993,977 3.892,978 4.62,980 7.338,981 3.696,982 7.238,983 0.526,984 8.827,985 1.206,986 5.82,987 6.959,988 0.05,989 10.43,990 5.627,991 8.583,992 0.126,993 10.548,994 1.006,995 6.256,996 7.602,998 12.195,999 5.994,1000 9.959,1001 -0.244,1002 12.307,1003 0.245,1004 7.69,1005 9.448,1006 0.008,1007 14.832,1008 7.428,1009 11.357,1010 -0.478,1011 14.093,1012 -0.574,1013 8.494,1014 10.474,1016 16.964,1017 8.187,1018 12.774,1019 -0.572,1020 15.901,1021 -0.916,1022 9.737,1023 12.106,1024 0.001,1025 19.444,1026 9.421,1027 3.171,1028 -0.742,1029 17.726,1030 -1.149,1031 10.718,1032 13.329,1034 21.733,1035 10.372,1036 2.794,1037 11.076,1038 19.566,1039 -1.912,1040 11.888,1041 14.858,1043 24.157,1044 11.528,1045 2.354,1046 8.672,1047 21.416,1048 4.257,1049 12.953,1050 16.182,1052 26.512,1053 12.571,1054 2.246,1055 6.625,1056 23.277,1057 3.814,1058 14.097,1059 17.662,1061 28.918,1062 13.7,1063 1.985,1064 6.041,1065 25.146,1066 3.012,1067 15.202,1068 19.039,1070 31.3,1071 14.786,1072 1.732,1073 5.702,1074 27.021,1075 2.582,1076 16.34,1077 20.495,1079 33.702,1080 15.908,1081 1.537,1082 4.931,1083 28.902,1084 2.546,1085 17.464,1086 21.9,1088 36.095,1089 17.013,1090 5678,1091 9694,1092 15.72,1093 29.989,1094 36.87,1095 36.875,1096 38.811,1097 36.519,1098 36.325,1099 46.626,1100 0.8,1101 102.874,1102 34.198,1103 5.281,1104 5.278,1105 6.544,1106 5.216,1107 5.171,1108 7.257,1109 0.8,1110 17.964,1111 5.094,1112 15.221,1113 1.475,1114 1.475,1115 1.552,1116 1.461,1117 1.453,1118 1.865,1119 0.032,1120 4.115,1121 1.368,1122 4.013,1123 4.048,1124 4.054,1125 3.935,1126 5.287,1127 3.939,1128 3.773,1129 3.831,1130 3.824,1131 3.629,1132 5.04,1133 3.644,1134 3.671,1135 3.745,1136 3.547,1137 3.484,1138 4.975,1139 3.477,1140 3.392,1141 3.485,1142 3.293,1143 3.194,1144 4.724,1145 3.185,1146 3.317,1147 3.422,1148 3.204,1149 3.048,1150 4.465,1151 3.056,1152 3.11,1153 3.217,1154 3.147,1155 2.891,1156 4.231,1157 2.904,1158 2.977,1159 3.072,1160 2.913,1161 2.78,1162 4.119,1163 2.779,1164 2.875,1165 2.958,1166 2.826,1167 2.62,1168 3.965,1169 2.639,1170 0.181,1171 0.131,1172 0.271,1173 0.166,1174 0.127,1175 4.535,1176 0.17,1177 3.278,1178 0.016,1179 6.77,1180 0.443,1181 4.146,1182 0.124,1183 3.171,1184 4.257,1185 0.4,1186 11.076,1187 3.094,1188 1.957,1189 1.935,1190 2.024,1191 2.064,1192 1.19,1193 2.053,1194 1.711,1195 1.665,1196 1.931,1197 1.914,1198 1.172,1199 1.913,1200 1.649,1201 1.572,1202 1.849,1203 1.834,1204 1.004,1205 1.845,1206 1.382,1207 1.297,1208 1.635,1209 1.633,1210 0.695,1211 1.653,1212 1.283,1213 1.175,1214 1.611,1215 1.578,1216 0.596,1217 1.601,1218 1.012,1219 0.936,1220 1.287,1221 1.373,1222 0.422,1223 1.356,1224 0.929,1225 0.858,1226 1.267,1227 1.202,1228 0.183,1229 1.207,1230 0.813,1231 0.712,1232 1.148,1233 1.104,1234 0.128,1235 1.148,1236 3.932,1238 5.231,1240 6.73,1242 8.33,1244 9.986,1246 5.933,1247 6.228,1250 11.736,1252 2.493,1257 1.765,1262 28.192,1263 72.325,1264 169.971,1265 215.064,1266 229.819,1267 229.819,1268 229.819,1269 45.849,1270 6.654,1271 105.78,1272 105.78,1273 12,1274 12.262,1275 3.807,1276 3,1277 48.282,1278 82,1279 100,1280 0.293,1281 184.862,1282 312.57,1283 442.824,1284 5803,1285 2.2,1286 17.69,1287 0.737,1288 0.62,1289 18.19,1290 14.878,1291 11.456,1292 0.458,1293 0.327,1294 7.725,1295 10.719,1296 7.413,1297 6.281,1298 11.745,1299 8.182,1300 10.081,1301 0.297,1302 0.17,1303 10.452,1304 5.786,1305 7.964,1306 0.185,1307 0.088,1308 8.344,1309 3.771,1310 6.654,1311 0.121,1312 0.046,1313 6.889,1314 2.51,1315 4.967,1316 0.075,1317 0.023,1318 5.209,1319 1.515,1320 0.452,1321 74.91,1322 0.252,1323 23.272,1324 0.822,1325 118,1326 345.053,1327 145.148,1328 373.449,1329 504.77,1330 346,1331 136,1332 363.942,1333 159.72,1334 378.391,1335 545.41,1336 354,1337 5.398}
{0 CHEMBL294638,1 1.565,2 8.682,3 2.249,4 5.058,5 87.546,6 7.574,7 0.708,8 3.774,9 3.906,10 3.349,11 3.289,12 4.967,13 3.285,14 4.246,15 4.424,16 3.696,17 3.657,18 5.388,19 3.634,20 4.394,21 4.555,22 3.78,23 3.812,24 5.512,25 3.771,26 4.56,27 4.776,28 3.686,29 3.829,30 5.621,31 3.744,32 4.578,33 4.82,34 3.556,35 3.758,36 5.547,37 3.659,38 4.439,39 4.663,40 3.393,41 3.637,42 5.422,43 3.528,44 4.432,45 4.718,46 3.374,47 3.507,48 5.378,49 3.385,50 4.187,51 4.44,52 3.26,53 3.277,54 5.313,55 3.202,56 0.048,57 0.612,58 7.808,59 3.089,60 10.924,61 4.139,62 0.222,63 0.914,64 14.116,65 5.424,66 23.219,67 7.232,68 0.158,69 1.077,70 15.529,71 6.015,72 18.206,73 8.235,74 0.211,75 1.157,76 20.139,77 7.339,78 33.626,79 10.359,80 0.28,81 1.092,82 22.034,83 7.308,84 35.314,85 10.434,86 0.222,87 0.972,88 18.464,89 6.328,90 28.695,91 8.921,92 0.306,93 0.886,94 20.333,95 6.726,96 31.309,97 10.258,98 0.209,99 0.768,100 14.92,101 4.469,102 27.833,103 6.754,104 18,105 34,106 0.278,107 0.657,108 0.819,109 0.868,110 0.868,111 0.868,112 3.147,113 0.859,114 -3.33,115 -3.32,116 -3.18,119 41,120 1,121 1,124 1,139 3,140 4,141 1,142 2,143 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 5,172 3,173 3,175 1,178 9,180 1,181 1,182 7,187 1,189 7,191 1,193 7,195 1,196 1,197 1,198 2,200 2,201 5,204 2,205 1,207 8,212 3,215 5,218 3,221 3,226 2,229 2,231 2,233 2,234 2,236 1,237 1,239 3,243 3,245 2,246 4,248 1,249 1,251 3,256 3,262 1,263 1,265 1,270 1,273 600,274 14.748,275 14.748,276 14.748,277 14.748,278 14.748,279 12.615,280 18.508,281 8.534,282 15.16,283 11.771,284 11.771,285 11.771,286 11.771,287 11.771,288 8.562,289 23.638,290 3.964,291 12.338,292 3.72,293 1.587,294 0.673,295 0.398,296 0.398,297 0.398,298 3.826,300 1,301 1,302 1,303 407,304 2.449,307 171.793,311 90.663,314 1.194,315 17.88,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47.5,327 191,328 4.605,329 3.291,330 6.688,331 4.135,332 3.156,333 4.562,334 0.86,335 10.812,336 3.092,337 4.24,338 3.06,339 6.09,340 3.827,341 2.866,342 3.888,343 0.68,344 8.854,345 2.759,346 3.777,347 2.658,348 5.649,349 3.375,350 2.401,351 3.249,353 7.344,354 2.335,355 3.611,356 2.51,357 5.284,358 3.21,359 2.259,360 3.004,362 6.72,363 2.145,364 3.384,365 2.157,366 4.922,367 2.945,368 2.004,369 2.706,371 5.656,372 1.875,373 2.929,374 1.779,375 4.463,376 2.462,377 1.489,378 2.127,380 4.111,381 1.445,382 2.834,383 1.574,384 4.144,385 2.375,386 1.447,387 1.962,389 3.691,390 1.338,391 2.75,392 1.406,393 3.871,394 2.276,395 1.343,396 1.84,398 3.15,399 1.247,400 1.729,401 0.938,402 3.099,403 1.392,404 0.478,405 0.568,407 1.022,408 0.429,409 1.609,410 0.652,411 2.909,412 1.32,413 0.394,414 0.467,415 0.763,416 0.366,417 1.233,418 0.218,419 2.561,420 0.877,421 -0.068,422 -0.085,423 -0.142,424 -0.064,425 0.958,426 -0.249,427 2.388,428 0.511,429 -0.456,430 -0.598,431 -1.148,432 -0.44,433 0.799,434 -0.314,435 2.359,436 0.392,437 -0.515,438 -0.622,439 -1.243,440 -0.467,441 0.694,442 -0.388,443 2.287,444 0.296,445 -0.683,446 -0.907,448 -1.765,449 -0.662,450 0.52,451 -0.648,452 2,453 0.161,454 -0.782,455 -1.021,457 -2.103,458 -0.733,459 10.333,460 0.47,461 0.592,462 0.027,463 32,464 1.455,465 17.5,466 0.795,467 14.5,468 0.659,469 14.919,470 0.678,471 23.267,472 0.597,473 22.022,474 1.001,475 6.428,476 0.292,477 4.151,478 0.189,479 0.174,481 0.387,485 1.036,486 1.233,487 0.809,488 0.999,489 1.228,490 0.88,491 0.944,492 0.797,493 0.72,494 0.78,495 0.614,496 0.742,497 0.953,498 1.237,499 1.008,500 1.164,501 0.867,502 1.105,503 0.881,504 1.056,505 1.072,506 1.188,507 0.902,508 1.162,509 1.226,510 0.935,511 1.081,512 0.994,513 1.011,514 1.018,515 1.27,516 1.133,517 1.273,518 1.229,519 1.196,520 1.258,521 0.451,522 0.95,523 0.659,524 0.902,525 0.449,526 0.837,527 0.931,528 1.236,529 0.932,530 1.106,531 0.928,532 1.04,533 5,534 0.025,535 2.667,536 1.75,537 1.631,538 0.59,539 0.567,540 0.361,541 0.164,542 0.165,543 4600,544 12854,545 2.043,546 43.6,547 5,548 6,550 2,551 4,555 1.648,556 1.886,557 3.083,558 1.87,559 1,560 1,562 1,564 61.034,565 1.565,566 3.699,567 4.612,568 4.888,569 4.888,570 4.888,571 2.465,572 4.005,573 4.434,574 3.207,575 740.907,576 7.629,577 7995.4,578 1,579 1,581 1,582 206.131,583 1.495,584 4.376,585 0.208,586 0.005,587 0.078,588 0.049,589 0.053,590 0.022,591 0.026,592 0.016,593 0.009,594 0.016,595 0.482,596 0.5,597 1,598 0.853,599 99.857,600 -0.138,601 -0.041,602 0.022,603 0.029,604 -0.256,605 0.054,606 0.103,607 0.281,608 0.188,609 0.243,610 0.208,611 0.222,612 -0.059,613 -0.12,614 -0.145,615 -0.141,616 -0.09,617 -0.152,618 -0.026,619 -0.041,620 -0.147,621 -0.186,622 -0.017,623 -0.182,624 -0.177,625 0.001,626 -0.097,627 -0.003,628 -0.111,629 -0.031,630 -0.232,631 -0.164,632 -0.317,633 -0.237,634 -0.279,635 -0.285,636 0.401,637 -0.116,638 0.372,639 0.102,640 0.377,641 0.208,642 0.117,643 -0.275,644 0.075,645 -0.179,646 0.179,647 -0.09,648 1.489,649 1.965,650 0.727,651 15.455,652 1.004,653 1.133,654 2.101,655 4.412,656 0.668,657 3.219,658 3.555,659 3.829,660 4.094,661 4.344,662 4.344,663 4.454,664 4.533,665 4.605,666 4.564,667 5.169,668 0.641,669 295.38,670 3.219,671 4.762,672 5.617,673 6.503,674 7.376,675 8.264,676 9.145,677 10.034,678 10.917,679 11.807,680 12.8,684 2,690 3,694 2,695 5,696 3,700 6,702 17,711 2,716 1,718 39,719 17,720 1,721 24,723 41,724 16,725 13,726 4,727 2,729 3,730 4,734 1,739 1,741 13,742 3,753 1,754 1,757 17,758 6,759 4,760 6,764 5,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 2,810 22,811 2,816 1,818 1,829 2.6,834 1,836 11.667,837 7.6,838 4.861,839 2.069,840 3.385,841 1.489,842 1.003,843 3.818,844 10.313,845 3.512,846 4.19,847 4.82,848 5.442,849 6.04,850 6.29,851 6.683,852 7.09,853 7.514,854 7.679,855 0.833,856 36,857 8.043,859 3.341,860 7.742,861 15.23,863 12.171,865 2.242,866 49.333,870 153.024,871 92.511,872 116.151,874 11,877 92.511,878 164.024,879 116.151,880 19.708,881 2.535,882 94.223,883 73.899,884 48.612,885 4.227,886 129.482,888 153.024,889 208.662,890 11,893 153.024,894 11,897 33.498,898 124.807,899 50.357,901 153.024,902 127.151,903 92.511,906 153.024,907 26.279,908 66.232,910 127.151,911 153.024,912 127.151,913 92.511,915 0.585,916 0.35,917 0.191,918 0.108,919 17,920 8,921 0.073,922 3,923 1,924 1.125,925 3.338,926 174.832,927 0.125,928 16,929 98.107,933 14.544,934 5.776,935 2.837,936 1.916,937 127.151,938 9.475,939 12.394,943 4.349,945 65.794,946 372.686,947 32.5,956 39.138,957 44.192,958 0.296,959 0.7,960 0.873,961 0.925,962 0.925,963 0.925,964 4.738,965 1.343,966 5.617,967 3.691,968 4.234,969 4.875,970 1.225,971 6.441,972 4.153,973 5.98,974 0.478,975 7.188,976 3.15,977 3.892,978 4.808,980 7.357,981 3.794,982 7.309,983 0.394,984 8.855,985 1.022,986 5.844,987 7.185,988 0.925,989 10.456,990 5.706,991 8.675,992 -0.068,993 10.578,994 0.763,995 6.275,996 7.908,998 12.176,999 6.123,1000 10.069,1001 -0.456,1002 12.336,1003 -0.142,1004 7.728,1005 9.784,1006 0.697,1007 14.805,1008 7.547,1009 11.485,1010 -0.515,1011 14.118,1012 -1.148,1013 8.525,1014 10.899,1016 16.882,1017 8.328,1018 12.917,1019 -0.683,1020 15.919,1021 -1.243,1022 9.778,1023 12.562,1024 0.525,1025 19.344,1026 9.557,1027 3.156,1028 -0.782,1029 17.735,1030 -1.765,1031 10.751,1032 13.876,1034 21.583,1035 10.513,1036 2.866,1037 10.812,1038 19.562,1039 -2.103,1040 11.924,1041 15.446,1042 0.395,1043 23.984,1044 11.664,1045 2.401,1046 8.854,1047 21.4,1048 4.562,1049 12.98,1050 16.86,1052 26.296,1053 12.702,1054 2.259,1055 7.344,1056 23.245,1057 3.888,1058 14.123,1059 18.391,1060 0.298,1061 28.677,1062 13.825,1063 2.004,1064 6.72,1065 25.097,1066 3.249,1067 15.219,1068 19.853,1070 31.023,1071 14.902,1072 1.489,1073 5.656,1074 26.955,1075 3.004,1076 16.352,1077 21.37,1078 0.224,1079 33.398,1080 16.017,1081 1.447,1082 4.111,1083 28.818,1084 2.706,1085 17.468,1086 22.857,1088 35.76,1089 17.114,1090 4537,1091 7683,1092 15.72,1093 26.051,1094 35.854,1095 36.307,1096 37.572,1097 35.632,1098 35.677,1099 48.747,1100 3.08,1101 104.248,1102 34.064,1103 5.373,1104 5.291,1105 6.229,1106 5.205,1107 5.156,1108 7.562,1109 1.72,1110 17.956,1111 5.092,1112 11.549,1113 1.494,1114 1.513,1115 1.565,1116 1.485,1117 1.487,1118 2.031,1119 0.128,1120 4.344,1121 1.419,1122 4.097,1123 4.121,1124 4.063,1125 4.03,1126 5.291,1127 4.034,1128 3.861,1129 3.916,1130 3.825,1131 3.708,1132 5.017,1133 3.729,1134 3.53,1135 3.574,1136 3.443,1137 3.413,1138 4.977,1139 3.415,1140 3.304,1141 3.364,1142 3.178,1143 3.07,1144 4.581,1145 3.088,1146 3.116,1147 3.219,1148 2.969,1149 2.879,1150 4.458,1151 2.88,1152 3.098,1153 3.201,1154 2.896,1155 2.856,1156 4.249,1157 2.856,1158 2.951,1159 3.064,1160 2.791,1161 2.641,1162 4,1163 2.666,1164 2.757,1165 2.855,1166 2.585,1167 2.568,1168 3.745,1169 2.547,1170 0.192,1171 0.137,1172 0.279,1173 0.172,1174 0.132,1175 4.605,1176 0.19,1177 3.291,1178 0.036,1179 6.688,1180 0.451,1181 4.135,1182 0.129,1183 3.156,1184 4.562,1185 0.86,1186 10.812,1187 3.092,1188 2.056,1189 2.037,1190 2.127,1191 2.14,1192 1.305,1193 2.136,1194 1.789,1195 1.745,1196 1.887,1197 1.973,1198 1.024,1199 1.947,1200 1.51,1201 1.468,1202 1.688,1203 1.674,1204 0.731,1205 1.684,1206 1.24,1207 1.177,1208 1.563,1209 1.529,1210 0.569,1211 1.539,1212 1.11,1213 1.013,1214 1.45,1215 1.389,1216 0.456,1217 1.416,1218 1.04,1219 0.955,1220 1.31,1221 1.357,1222 0.316,1223 1.355,1224 0.874,1225 0.756,1226 1.211,1227 1.223,1228 0.12,1229 1.236,1230 0.755,1231 0.677,1232 1.055,1233 1.017,1235 1.041,1236 3.892,1238 5.22,1240 6.756,1242 8.39,1244 10.074,1246 3.692,1250 11.438,1252 0.604,1254 5.465,1262 24.983,1263 61.034,1264 144.256,1265 179.866,1266 190.621,1267 190.621,1268 190.621,1269 28.842,1270 6.928,1271 99.94,1272 99.94,1273 18,1274 12.337,1275 4.17,1276 3.248,1277 34.37,1278 68,1279 70,1280 0.253,1281 156.616,1282 258.25,1283 373.904,1284 8444,1286 15.69,1287 0.713,1288 0.568,1289 15.69,1290 12.498,1291 10.58,1292 0.441,1293 0.286,1294 6.765,1295 10.152,1296 6.519,1297 5.468,1298 10.58,1299 6.873,1300 9.633,1301 0.283,1302 0.151,1303 9.633,1304 5.138,1305 8.094,1306 0.18,1307 0.08,1308 8.094,1309 3.619,1310 6.77,1311 0.115,1312 0.042,1313 6.77,1314 2.46,1315 5.631,1316 0.074,1317 0.023,1318 5.631,1319 1.745,1320 0.386,1321 66.488,1322 0.252,1323 21.345,1324 0.725,1325 116,1326 333.295,1327 126.649,1328 328.846,1329 455.98,1330 308,1331 137,1332 342.982,1333 147.373,1334 353.13,1335 511.65,1336 329,1337 4.699}
{0 CHEMBL294678,1 1.53,2 9.304,3 3.316,4 10.997,5 99.329,6 7.671,7 0.48,8 3.853,9 3.996,10 3.435,11 3.406,12 4.969,13 3.371,14 4.362,15 4.551,16 3.872,17 3.827,18 5.446,19 3.771,20 4.621,21 4.801,22 3.967,23 4.029,24 5.676,25 3.939,26 4.817,27 5.079,28 3.913,29 4.062,30 5.741,31 3.915,32 4.685,33 4.91,34 3.856,35 3.988,36 5.677,37 3.831,38 4.676,39 4.946,40 3.531,41 3.814,42 5.596,43 3.618,44 4.37,45 4.665,46 3.539,47 3.488,48 5.321,49 3.359,50 4.016,51 4.207,52 3.284,53 3.314,54 5.169,55 3.217,56 0.051,57 0.663,58 8.918,59 3.519,60 11.366,61 4.985,62 0.16,63 1.035,64 16.636,65 6.589,66 22.435,67 9.236,68 0.188,69 1.287,70 22.687,71 7.879,72 24.221,73 11.233,74 0.278,75 1.345,76 31.679,77 10.745,78 42.922,79 15.369,80 0.183,81 1.174,82 29.2,83 9.647,84 33.474,85 13.406,86 0.334,87 1.03,88 36.508,89 9.515,90 46.669,91 13.31,92 0.258,93 0.793,94 23.094,95 6.487,96 31.622,97 9.757,98 0.144,99 0.685,100 13.434,101 4.199,102 19.165,103 5.954,104 37,105 38,106 0.268,107 0.676,108 0.812,109 0.837,110 0.837,111 0.837,112 3.189,113 0.936,114 -4.93,115 -4.83,116 -4.53,119 39.5,120 3,121 1,129 1,134 1,135 1,139 2,140 3,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 2,172 3,173 3,175 5,178 13,180 1,182 2,187 5,189 11,191 1,193 2,195 1,196 1,197 1,198 4,200 2,201 12,204 2,205 1,207 4,212 4,215 14,218 3,221 2,226 3,229 4,231 2,234 4,239 4,241 2,243 4,246 4,249 2,250 1,251 3,253 1,254 2,256 3,265 2,270 2,273 640,274 14.618,275 14.618,276 14.618,277 14.618,278 14.618,279 12.816,280 22.984,281 8.208,282 14.966,283 12.332,284 12.332,285 12.332,286 12.332,287 12.332,288 9.614,289 35.686,290 3.936,291 12.962,292 3.896,293 1.574,294 0.797,295 0.657,296 0.657,297 0.657,298 3.86,299 1,300 1,301 1,302 1,303 453,304 2.828,307 183.475,311 95.825,314 1.361,315 19.013,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 48.833,327 214,328 4.594,329 3.626,330 6.918,331 4.325,332 3.354,333 4.216,334 0.68,335 11.664,336 3.255,337 4.251,338 3.211,339 6.436,340 3.914,341 2.942,342 3.883,343 0.657,344 9.938,345 2.861,346 4.092,347 3.038,348 6.088,349 3.783,350 2.824,351 3.362,353 8.841,354 2.711,355 3.626,356 2.62,357 5.568,358 3.281,359 2.313,360 2.882,362 7.034,363 2.233,364 3.56,365 2.5,366 5.277,367 3.157,368 2.226,369 2.825,371 6.669,372 2.037,373 3.346,374 2.149,375 4.921,376 2.929,377 1.984,378 2.637,380 5.648,381 1.861,382 2.829,383 1.824,384 4.423,385 2.352,386 1.419,387 1.951,389 3.926,390 1.319,391 2.818,392 1.553,393 4.134,394 2.304,395 1.376,396 1.867,398 3.649,399 1.221,400 1.751,401 0.822,402 3.403,403 1.464,404 0.519,405 0.611,407 1.407,408 0.48,409 1.442,410 0.563,411 3.211,412 1.122,413 0.212,414 0.248,415 0.53,416 0.183,417 0.966,418 0.071,419 2.926,420 0.597,421 -0.384,422 -0.455,423 -1.112,424 -0.319,425 0.803,426 -0.049,427 2.637,428 0.439,429 -0.485,430 -0.571,431 -1.242,432 -0.417,433 0.726,434 -0.314,435 2.427,436 0.39,437 -0.514,438 -0.621,439 -1.266,440 -0.465,441 0.678,442 -0.334,443 2.359,444 0.38,445 -0.549,446 -0.656,448 -1.63,449 -0.522,450 0.314,451 -0.683,452 2.093,453 0.044,454 -0.903,455 -1,457 -2.876,458 -0.847,459 11.214,460 0.488,461 0.923,462 0.04,463 29.75,464 1.293,465 15,466 0.652,467 14.75,468 0.641,469 20.712,470 0.901,471 24.786,472 0.576,473 20.292,474 0.882,475 5.542,476 0.241,477 5.207,478 0.226,479 0.269,480 0.045,481 0.357,485 0.99,486 1.2,487 0.694,488 0.875,489 1.202,490 0.865,491 0.494,492 0.94,493 0.556,494 0.797,495 0.343,496 0.762,497 1.07,498 1.264,499 1.039,500 1.194,501 0.933,502 1.206,503 0.773,504 0.846,505 0.844,506 0.892,507 0.762,508 0.926,509 1.082,510 1.14,511 1.273,512 1.234,513 0.98,514 1.228,515 1.477,516 0.915,517 1.747,518 1.229,519 1.404,520 1.144,521 0.466,522 0.928,523 0.649,524 0.823,525 0.419,526 0.696,527 1.086,528 1.491,529 1.289,530 1.473,531 1.186,532 1.407,533 7.5,534 0.058,535 3.111,536 2.375,537 2.293,538 0.556,539 0.688,540 0.385,541 0.242,542 0.249,543 5173,544 13806,545 1.981,546 46.5,547 5,548 3,550 1,551 5,553 6,555 1.658,556 1.781,557 3.161,558 2.675,559 1,560 1,564 65.794,565 1.53,566 3.853,567 4.629,568 4.769,569 4.769,570 4.769,571 2.637,572 4.437,573 4.497,574 3.31,575 837.419,576 7.744,577 9245.9,579 1,581 1,582 233.329,583 1.762,584 4.403,585 0.3,586 0.006,587 0.082,588 0.063,589 0.067,590 0.019,591 0.033,592 0.018,593 0.013,594 0.019,595 0.62,596 0.17,597 1,598 0.702,599 106.355,600 -0.157,601 0.047,602 -0.001,603 0.098,604 -0.289,605 0.081,606 0.283,607 0.183,608 0.208,609 0.197,610 0.357,611 0.22,612 -0.146,613 -0.125,614 -0.182,615 -0.211,616 -0.178,617 -0.251,618 0.047,619 0.094,620 0.087,621 0.11,622 0.078,623 0.081,624 -0.125,625 -0.172,626 -0.132,627 -0.179,628 -0.063,629 -0.212,630 -0.237,631 -0.064,632 -0.283,633 -0.157,634 -0.263,635 -0.12,636 0.45,637 -0.081,638 0.402,639 0.177,640 0.479,641 0.322,642 0.066,643 -0.375,644 -0.294,645 -0.516,646 -0.047,647 -0.48,648 1.486,649 2.388,650 0.696,651 16.775,652 0.998,653 1.134,654 3.699,655 13.681,656 0.674,657 3.258,658 3.664,659 3.871,660 4.174,661 4.431,662 4.443,663 4.543,664 4.575,665 4.762,666 4.718,667 5.437,668 0.631,669 329.87,670 3.258,671 4.844,672 5.694,673 6.611,674 7.48,675 8.395,676 9.275,677 10.186,678 11.073,679 11.983,680 11.6,684 2,685 1,690 2,695 3,696 2,700 7,702 12,711 2,712 1,717 1,718 43,719 13,720 1,721 25,723 45,724 17,725 10,726 4,727 2,728 2,729 3,730 4,731 1,734 3,737 1,739 1,741 12,742 5,743 1,744 1,749 1,751 1,753 1,754 1,757 20,758 5,759 5,760 6,761 1,764 5,769 0.667,776 1,781 3,785 1,795 1,796 1,802 2,806 3,807 1,810 23,811 2,816 1,817 1,822 1,828 1,836 12.917,837 8.543,838 4.778,839 2.377,840 2.62,841 1.372,842 0.982,843 3.984,844 9.662,845 3.497,846 4.159,847 4.687,848 5.257,849 5.81,850 6.008,851 6.339,852 6.665,853 7.095,854 7.288,855 1,856 38,857 8.442,859 3.577,860 7.704,861 16.138,863 13.358,865 2.204,866 50.694,869 1,870 176.567,871 89.713,872 117.376,873 39.149,877 89.713,878 215.715,879 117.376,880 26.476,881 2.535,882 94.223,883 63.353,884 28.047,885 4.227,886 164.795,887 39.149,888 176.567,889 207.089,891 39.149,893 105.94,894 70.627,897 39.957,898 106.074,899 100.207,901 176.567,902 117.376,903 128.862,906 176.567,907 25.761,908 63.952,909 18.011,910 138.514,911 176.567,912 117.376,913 128.862,915 0.609,916 0.338,917 0.183,918 0.106,919 20,920 10,921 0.044,922 2,923 1,924 1.125,925 3.352,926 188.449,927 0.125,928 16,929 102.042,933 16.092,934 5.694,935 3.283,937 117.376,938 5.748,939 8.011,943 5.262,945 83.805,946 422.804,947 32,952 2.204,954 1.203,956 42.902,957 48.757,958 0.282,959 0.71,960 0.853,961 0.879,962 0.879,963 0.879,964 4.787,965 1.376,966 5.765,967 3.926,968 4.344,969 4.844,970 1.026,971 6.645,972 4.253,973 6.058,974 0.519,975 7.378,976 3.649,977 4.29,978 4.879,980 7.825,981 4.163,982 7.412,983 0.212,984 9.091,985 1.407,986 6.071,987 7.075,988 0.588,989 10.83,990 5.919,991 8.792,992 -0.384,993 10.857,994 0.53,995 6.711,996 7.785,998 12.735,999 6.527,1000 10.195,1001 -0.485,1002 12.657,1003 -1.112,1004 8.085,1005 9.558,1006 0.307,1007 15.348,1008 7.879,1009 11.614,1010 -0.514,1011 14.479,1012 -1.242,1013 9.023,1014 10.596,1016 17.553,1017 8.787,1018 13.046,1019 -0.549,1020 16.319,1021 -1.266,1022 10.258,1023 12.187,1024 0.149,1025 20.04,1026 9.999,1027 3.354,1028 -0.903,1029 18.171,1030 -1.63,1031 11.329,1032 13.399,1034 22.375,1035 11.04,1036 2.942,1037 11.664,1038 20.033,1039 -2.876,1040 12.52,1041 14.902,1042 0.07,1043 24.823,1044 12.206,1045 2.824,1046 9.938,1047 21.904,1048 4.216,1049 13.652,1050 16.21,1052 27.216,1053 13.308,1054 2.313,1055 8.841,1056 23.782,1057 3.883,1058 14.833,1059 17.67,1060 0.032,1061 29.654,1062 14.462,1063 2.226,1064 7.034,1065 25.666,1066 3.362,1067 15.994,1068 19.03,1070 32.075,1071 15.594,1072 1.984,1073 6.669,1074 27.556,1075 2.882,1076 17.176,1077 20.47,1078 0.015,1079 34.514,1080 16.748,1081 1.419,1082 5.648,1083 29.45,1084 2.825,1085 18.353,1086 21.858,1088 36.948,1089 17.896,1090 5129,1091 8503,1092 15.72,1093 28.978,1094 39.016,1095 39.109,1096 39.958,1097 38.382,1098 38.338,1099 48.964,1100 2.675,1101 118.614,1102 36.326,1103 5.44,1104 5.626,1105 6.222,1106 5.394,1107 5.354,1108 7.216,1109 1.36,1110 19.037,1111 5.255,1112 14.442,1113 1.561,1114 1.564,1115 1.598,1116 1.535,1117 1.534,1118 1.959,1119 0.107,1120 4.745,1121 1.453,1122 4.052,1123 4.082,1124 4.086,1125 3.99,1126 5.291,1127 3.988,1128 3.858,1129 3.913,1130 3.827,1131 3.71,1132 4.98,1133 3.728,1134 3.63,1135 3.678,1136 3.642,1137 3.527,1138 4.94,1139 3.524,1140 3.331,1141 3.409,1142 3.353,1143 3.19,1144 4.526,1145 3.171,1146 3.191,1147 3.275,1148 3.135,1149 3.01,1150 4.455,1151 3.016,1152 3.007,1153 3.125,1154 2.956,1155 2.722,1156 4.214,1157 2.736,1158 2.874,1159 3.009,1160 2.802,1161 2.639,1162 3.987,1163 2.63,1164 2.843,1165 2.946,1166 2.665,1167 2.618,1168 3.747,1169 2.581,1170 0.184,1171 0.145,1172 0.277,1173 0.173,1174 0.134,1175 4.594,1176 0.169,1177 3.626,1178 0.027,1179 6.918,1180 0.467,1181 4.325,1182 0.13,1183 3.354,1184 4.216,1185 0.68,1186 11.664,1187 3.255,1188 2.011,1189 1.988,1190 2.097,1191 2.097,1192 1.31,1193 2.102,1194 1.798,1195 1.753,1196 1.924,1197 1.976,1198 1.116,1199 1.957,1200 1.614,1201 1.569,1202 1.764,1203 1.758,1204 0.874,1205 1.774,1206 1.354,1207 1.281,1208 1.65,1209 1.551,1210 0.721,1211 1.593,1212 1.133,1213 1.065,1214 1.417,1215 1.406,1216 0.469,1217 1.402,1218 0.934,1219 0.804,1220 1.36,1221 1.284,1222 0.39,1223 1.308,1224 0.908,1225 0.801,1226 1.23,1227 1.239,1228 0.203,1229 1.287,1230 0.8,1231 0.73,1232 1.127,1233 1.103,1234 0.063,1235 1.115,1236 3.932,1238 5.313,1240 6.876,1242 8.531,1244 10.234,1246 6.342,1247 6.499,1250 11.461,1252 0.607,1253 3.471,1258 -0.114,1262 27.149,1263 65.794,1264 165.666,1265 199.065,1266 205.065,1267 205.065,1268 205.065,1269 35.626,1270 7.041,1271 89.85,1272 89.85,1273 18,1274 12.502,1275 3.807,1276 3,1277 36.849,1278 76,1279 76,1280 0.248,1281 173.473,1282 295.51,1283 415.033,1284 9569,1285 2.3,1286 16.776,1287 0.729,1288 0.617,1289 17.276,1290 14.2,1291 10.749,1292 0.43,1293 0.312,1294 7.386,1295 10.189,1296 7.004,1297 5.881,1298 11.037,1299 7.801,1300 11.083,1301 0.292,1302 0.181,1303 11.454,1304 6.897,1305 8.23,1306 0.175,1307 0.09,1308 8.562,1309 4.209,1310 7.229,1311 0.113,1312 0.051,1313 7.578,1314 3.26,1315 5.894,1316 0.071,1317 0.027,1318 6.283,1319 2.277,1320 0.381,1321 69.489,1322 0.252,1323 22.229,1324 0.702,1325 126,1326 310.451,1327 149.956,1328 345.881,1329 470.74,1330 320,1331 148,1332 337.088,1333 167.696,1334 359.763,1335 521.99,1336 335,1337 4.119}
{0 CHEMBL296382,1 1.664,2 10.792,3 2.021,4 4.084,5 93.293,6 7.771,7 0.654,8 3.863,9 3.993,10 3.452,11 3.303,12 5.077,13 3.327,14 4.332,15 4.505,16 3.785,17 3.636,18 5.517,19 3.648,20 4.464,21 4.643,22 3.865,23 3.756,24 5.65,25 3.753,26 4.534,27 4.724,28 3.746,29 3.772,30 5.665,31 3.717,32 4.617,33 4.864,34 3.574,35 3.728,36 5.622,37 3.63,38 4.539,39 4.804,40 3.416,41 3.577,42 5.515,43 3.476,44 4.324,45 4.579,46 3.313,47 3.454,48 5.261,49 3.369,50 4.224,51 4.471,52 3.317,53 3.38,54 5.237,55 3.304,56 0.104,57 0.66,58 8.34,59 3.08,60 12.397,61 4.136,62 0.347,63 0.955,64 15.508,65 5.145,66 29.416,67 6.87,68 0.402,69 1.105,70 17.269,71 5.465,72 30.413,73 7.588,74 0.395,75 1.118,76 18.846,77 6.438,78 33.128,79 9.122,80 0.432,81 1.089,82 22.848,83 6.964,84 42.17,85 10.475,86 0.553,87 0.935,88 22.622,89 6.406,90 47.494,91 9.482,92 0.315,93 0.797,94 17.536,95 5.273,96 27.679,97 7.879,98 0.279,99 0.734,100 15.502,101 5.019,102 26.654,103 7.438,104 21,105 36,106 0.291,107 0.637,108 0.772,109 0.846,110 0.854,111 0.879,112 3.228,113 0.836,114 -2.6,115 -2.62,116 -2.56,119 38.1,124 2,125 1,139 5,141 3,143 3,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 5,172 3,173 3,175 1,178 1,181 2,182 4,184 1,185 3,187 3,189 1,192 1,193 2,195 1,196 1,197 1,198 3,200 2,204 2,205 1,207 2,209 1,210 2,212 2,215 1,218 2,220 1,221 3,224 2,225 1,228 1,229 3,234 1,241 2,245 1,246 3,250 1,251 1,253 1,256 1,259 2,260 5,262 1,263 1,265 2,270 2,273 754,274 16.273,275 16.273,276 16.273,277 16.273,278 16.273,279 14.213,280 22.895,281 9.454,282 16.91,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.461,289 31.226,290 4.327,291 13.559,292 3.728,293 1.752,294 0.979,295 0.56,296 0.512,297 0.369,298 3.91,300 1,301 1,302 1,303 550,304 2.828,307 205.095,311 106.977,314 1.493,315 22.622,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 53,327 259,328 4.541,329 3.174,330 6.502,331 4.032,332 3.079,333 4.491,334 0.86,335 10.175,336 2.934,337 4.267,338 3.117,339 6.173,340 3.858,341 2.904,342 3.911,343 0.86,344 9.168,345 2.764,346 3.772,347 2.703,348 5.32,349 3.365,350 2.417,351 3.234,352 0.657,353 6.903,354 2.291,355 3.544,356 2.595,357 5.215,358 3.155,359 2.23,360 2.859,362 6.489,363 2.056,364 3.428,365 2.196,366 5.062,367 2.968,368 2.041,369 2.811,371 5.802,372 1.886,373 3.368,374 2.064,375 4.97,376 2.906,377 1.961,378 2.69,380 5.752,381 1.848,382 2.919,383 1.952,384 4.385,385 2.529,386 1.6,387 2.057,389 4.214,390 1.48,391 2.454,392 1.206,393 3.71,394 1.962,395 1.01,396 1.435,398 2.565,399 0.959,400 2.082,401 1.058,402 3.324,403 1.793,404 0.867,405 1.019,407 1.957,408 0.799,409 1.663,410 0.942,411 2.923,412 1.361,413 0.469,414 0.533,415 0.854,416 0.413,417 1.592,418 0.885,419 2.776,420 1.32,421 0.46,422 0.512,423 0.673,424 0.394,425 1.327,426 0.268,427 2.699,428 0.937,429 0.02,430 0.025,431 0.044,432 0.018,433 0.976,434 -0.075,435 2.538,436 0.535,437 -0.383,438 -0.463,439 -0.792,440 -0.349,441 0.838,442 -0.298,443 2.375,444 0.454,445 -0.463,446 -0.586,448 -1.162,449 -0.423,450 0.586,451 -0.464,452 2.178,453 0.139,454 -0.81,455 -1.012,457 -2.027,458 -0.756,459 11.067,460 0.461,461 0.571,462 0.024,463 35,464 1.458,465 18.5,466 0.771,467 16.5,468 0.688,469 15.388,470 0.641,471 26.133,472 0.622,473 25.235,474 1.051,475 7.22,476 0.301,477 4.381,478 0.183,479 0.163,481 0.361,485 1.069,486 1.389,487 0.794,488 1.098,489 1.229,490 0.907,491 1.205,492 1.01,493 0.775,494 0.845,495 0.761,496 0.761,497 1.077,498 1.058,499 0.97,500 0.986,501 0.923,502 0.956,503 0.888,504 1.316,505 1.122,506 1.331,507 0.831,508 1.286,509 0.888,510 1.069,511 1.092,512 1.143,513 1.002,514 1.155,515 1.097,516 0.716,517 1.072,518 0.854,519 1.03,520 0.952,521 0.985,522 0.89,523 0.955,524 0.905,525 0.865,526 0.918,527 0.703,528 0.944,529 0.813,530 0.996,531 0.745,532 0.94,533 5.5,534 0.169,535 2.667,536 1.5,537 1.711,538 0.701,539 0.262,540 0.326,541 0.271,542 0.153,543 6422,544 19212,545 2.04,546 42.9,548 13,551 5,555 1.666,556 1.895,557 3.384,558 2.702,559 1,560 1,562 1,564 69.909,565 1.664,566 3.64,567 4.413,568 4.833,569 4.88,570 5.023,571 2.836,572 4.335,573 4.559,574 3.513,575 969.636,576 7.848,577 11529.3,578 1,579 1,581 1,582 226.477,583 1.459,584 4.507,585 0.212,586 0.011,587 0.074,588 0.039,589 0.053,590 0.027,591 0.012,592 0.016,593 0.013,594 0.008,595 0.465,596 0.17,597 1,598 0.921,599 114.946,600 -0.169,601 -0.15,602 0.023,603 -0.04,604 -0.283,605 0.032,606 -0.059,607 0.08,608 0.148,609 0.169,610 0.132,611 0.182,612 -0.052,613 0.088,614 -0.071,615 -0.007,616 -0.032,617 -0.04,618 0.017,619 -0.244,620 -0.223,621 -0.31,622 0.018,623 -0.317,624 -0.041,625 -0.114,626 -0.123,627 -0.156,628 -0.081,629 -0.156,630 -0.052,631 0.17,632 -0.042,633 0.103,634 -0.074,635 0.038,636 -0.112,637 0.03,638 0.035,639 0.093,640 -0.082,641 0.1,642 0.118,643 -0.012,644 0.163,645 0.024,646 0.123,647 0.091,648 1.532,649 1.863,650 0.667,651 19.701,652 1.014,653 1.14,654 1.372,655 1.883,656 0.655,657 3.296,658 3.611,659 3.871,660 4.111,661 4.344,662 4.344,663 4.357,664 4.407,665 4.543,666 4.543,667 6.188,668 0.636,669 326.4,670 3.296,671 4.828,672 5.673,673 6.547,674 7.408,675 8.284,676 9.15,677 10.026,678 10.894,679 11.771,680 14.3,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,716 2,718 42,719 17,720 1,721 26,723 44,724 16,725 13,726 3,727 3,729 3,730 4,741 13,742 3,753 1,754 1,757 18,758 8,759 5,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 1,817 1,818 2,829 4.8,834 2,836 12.667,837 8.017,838 5.417,839 2.106,840 3.39,841 1.478,842 0.988,843 4.758,844 10.486,845 3.57,846 4.22,847 4.834,848 5.43,849 6.019,850 6.245,851 6.529,852 6.852,853 7.271,854 7.333,855 1,856 38,857 8.76,859 3.605,860 7.806,861 16.397,863 12.767,865 2.306,866 55.333,870 153.024,871 95.769,872 134.162,874 22,877 95.769,878 175.024,879 134.162,880 21.766,881 2.106,882 113.176,883 68.367,884 42.288,885 4.227,886 153.024,888 153.024,889 229.93,890 22,893 153.024,894 22,897 11.05,898 150.513,899 68.367,901 153.024,902 156.161,903 95.769,906 153.024,907 26.621,908 69.147,909 18.011,910 138.151,911 153.024,912 156.161,913 95.769,915 0.577,916 0.346,917 0.187,918 0.104,919 17,920 8,921 0.114,922 5,923 1,924 1.125,925 3.603,926 189.923,927 0.125,928 16,929 110.039,933 16.392,934 6.967,935 3.565,936 1.149,937 156.161,938 9.227,939 12.534,943 3.439,945 83.805,946 404.955,947 34.5,956 42.567,957 47.9,958 0.309,959 0.675,960 0.818,961 0.896,962 0.905,963 0.932,964 4.79,965 1.01,966 5.659,967 4.214,968 4.29,969 4.905,970 1.573,971 6.457,972 4.17,973 6.015,974 0.867,975 7.213,976 2.565,977 3.892,978 4.808,980 7.322,981 3.724,982 7.334,983 0.469,984 8.86,985 1.957,986 5.878,987 7.19,988 1.27,989 10.384,990 5.657,991 8.69,992 0.46,993 10.561,994 0.854,995 6.256,996 7.878,998 12.037,999 5.982,1000 10.074,1001 0.02,1002 12.296,1003 0.673,1004 7.722,1005 9.755,1006 1.022,1007 14.625,1008 7.409,1009 11.478,1010 -0.383,1011 14.054,1012 0.044,1013 8.471,1014 10.833,1016 16.631,1017 8.104,1018 12.897,1019 -0.463,1020 15.83,1021 -0.792,1022 9.723,1023 12.494,1024 0.818,1025 19.044,1026 9.32,1027 3.079,1028 -0.81,1029 17.62,1030 -1.162,1031 10.658,1032 13.775,1034 21.211,1035 10.2,1036 2.904,1037 10.175,1038 19.421,1039 -2.027,1040 11.82,1041 15.338,1042 0.65,1043 23.556,1044 11.324,1045 2.417,1046 9.168,1047 21.232,1048 4.491,1049 12.844,1050 16.724,1052 25.796,1053 12.296,1054 2.23,1055 6.903,1056 23.051,1057 3.911,1058 13.97,1059 18.244,1060 0.511,1061 28.115,1062 13.38,1063 2.041,1064 6.489,1065 24.877,1066 3.234,1067 15.038,1068 19.683,1070 30.389,1071 14.397,1072 1.961,1073 5.802,1074 26.708,1075 2.859,1076 16.151,1077 21.185,1078 0.399,1079 32.699,1080 15.466,1081 1.6,1082 5.752,1083 28.545,1084 2.811,1085 17.239,1086 22.651,1088 34.989,1089 16.505,1090 6299,1091 11016,1092 17.107,1093 27.512,1094 38.069,1095 39.04,1096 39.796,1097 38.033,1098 38.115,1099 51.152,1100 4.755,1101 109.193,1102 35.683,1103 5.376,1104 5.174,1105 6.06,1106 5.105,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.934,1112 12.689,1113 1.464,1114 1.502,1115 1.531,1116 1.463,1117 1.466,1118 1.967,1119 0.183,1120 4.2,1121 1.372,1122 4.055,1123 4.098,1124 4.03,1125 3.925,1126 5.323,1127 3.945,1128 3.915,1129 3.937,1130 3.871,1131 3.815,1132 4.989,1133 3.825,1134 3.531,1135 3.598,1136 3.46,1137 3.34,1138 4.932,1139 3.362,1140 3.314,1141 3.368,1142 3.181,1143 3.038,1144 4.773,1145 3.062,1146 3.225,1147 3.302,1148 3.056,1149 2.958,1150 4.581,1151 2.968,1152 3.126,1153 3.23,1154 3.004,1155 2.887,1156 4.311,1157 2.888,1158 3.1,1159 3.204,1160 2.907,1161 2.797,1162 4.186,1163 2.829,1164 2.784,1165 2.859,1166 2.609,1167 2.645,1168 3.915,1169 2.622,1170 0.175,1171 0.122,1172 0.25,1173 0.155,1174 0.118,1175 4.541,1176 0.173,1177 3.174,1178 0.033,1179 6.502,1180 0.391,1181 4.032,1182 0.113,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.934,1188 1.971,1189 1.936,1190 2.034,1191 2.122,1192 1.137,1193 2.097,1194 1.87,1195 1.851,1196 1.956,1197 1.996,1198 1.046,1199 1.984,1200 1.461,1201 1.4,1202 1.626,1203 1.695,1204 0.742,1205 1.68,1206 1.233,1207 1.171,1208 1.586,1209 1.558,1210 0.583,1211 1.563,1212 1.177,1213 1.097,1214 1.54,1215 1.48,1216 0.559,1217 1.499,1218 1.098,1219 1.011,1220 1.377,1221 1.383,1222 0.333,1223 1.382,1224 0.995,1225 0.891,1226 1.272,1227 1.362,1228 0.165,1229 1.364,1230 0.811,1231 0.742,1232 1.1,1233 0.997,1234 0.029,1235 1.036,1236 3.97,1238 5.283,1240 6.801,1242 8.416,1244 10.08,1246 3.219,1250 11.449,1252 0.489,1253 3.278,1254 10.549,1262 26.719,1263 69.909,1264 152.894,1265 185.358,1266 202.968,1267 204.968,1268 210.968,1269 32.563,1270 7.095,1271 121.2,1272 121.2,1273 18,1274 12.311,1275 4.17,1276 3.248,1277 39.452,1278 91,1279 86,1280 0.217,1281 167.407,1282 278.04,1283 400.233,1284 11138,1286 17.104,1287 0.713,1288 0.559,1289 17.104,1290 13.407,1291 11.601,1292 0.446,1293 0.279,1294 7.082,1295 10.963,1296 6.88,1297 5.76,1298 11.601,1299 7.25,1300 10.25,1301 0.285,1302 0.14,1303 10.25,1304 5.057,1305 8.663,1306 0.184,1307 0.075,1308 8.663,1309 3.513,1310 7.158,1311 0.119,1312 0.039,1313 7.158,1314 2.324,1315 5.807,1316 0.076,1317 0.02,1318 5.807,1319 1.548,1320 0.343,1321 74.092,1322 0.242,1323 23.538,1324 0.585,1325 124,1326 399.364,1327 139.915,1328 383.178,1329 528.26,1330 360,1331 145,1332 394.922,1333 160.806,1334 401.181,1335 581.91,1336 374,1337 6.495}
{0 CHEMBL298538,1 1.645,2 11.733,3 4.178,4 17.459,5 125.185,6 7.888,7 0.563,8 4.082,9 4.219,10 3.679,11 3.596,12 5.266,13 3.577,14 4.556,15 4.74,16 4.015,17 3.957,18 5.685,19 3.909,20 4.795,21 5.013,22 4.135,23 4.081,24 5.88,25 4.022,26 4.822,27 5.042,28 4.116,29 4.069,30 5.954,31 4.007,32 4.885,33 5.112,34 4.085,35 4.092,36 6.012,37 4.028,38 4.948,39 5.201,40 4.101,41 4.135,42 5.997,43 4.029,44 4.916,45 5.166,46 4.131,47 4.079,48 6.015,49 3.959,50 4.735,51 4.961,52 3.987,53 3.95,54 5.881,55 3.832,56 0.127,57 0.837,58 10.64,59 4.39,60 17.798,61 5.894,62 0.265,63 1.241,64 19.433,65 7.407,66 31.066,67 10.169,68 0.401,69 1.462,70 28.354,71 8.357,72 43.547,73 12.231,74 0.41,75 1.511,76 29.187,77 8.448,78 50.838,79 12.514,80 0.491,81 1.592,82 29.333,83 8.087,84 61.111,85 12.226,86 0.426,87 1.563,88 33.868,89 10.507,90 58.308,91 15.318,92 0.574,93 1.351,94 40.123,95 11.059,96 72.442,97 15.579,98 0.545,99 1.13,100 35.167,101 9.685,102 65.039,103 12.844,104 31,105 43,106 0.272,107 0.646,108 0.794,109 0.868,110 0.876,111 0.876,112 3.44,113 0.93,114 -4.95,115 -4.85,116 -4.55,119 38.9,120 1,121 1,125 3,139 8,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 11,169 2,170 5,172 3,173 3,175 1,178 12,180 1,182 10,185 1,187 1,189 9,191 1,193 16,195 1,196 2,197 1,198 5,200 2,201 4,204 5,205 1,207 13,210 1,212 5,215 4,218 4,220 2,221 6,223 1,224 1,226 4,229 2,231 2,233 2,234 5,236 1,237 1,239 5,241 6,243 2,245 2,246 2,248 2,249 2,251 4,254 11,260 1,262 1,263 1,265 3,268 11,270 1,273 1552,274 20.309,275 20.309,276 20.309,277 20.309,278 20.309,279 17.885,280 23.199,281 12.217,282 20.744,283 15.708,284 15.708,285 15.708,286 15.708,287 15.708,288 12.075,289 28.875,290 5.653,291 16.492,292 4.11,293 1.853,294 0.954,295 0.509,296 0.458,297 0.458,298 4.122,299 1,301 1,302 1,303 737,304 3.606,307 325.853,314 1.702,315 28.783,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 64.833,327 352,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.657,335 11.076,336 3.094,337 4.185,338 3.113,339 6.048,340 3.736,341 2.801,342 3.815,344 8.678,345 2.623,346 3.938,347 2.937,348 5.574,349 3.617,350 2.648,351 3.458,353 7.674,354 2.546,355 3.633,356 2.392,357 5.304,358 3.225,359 2.273,360 3.012,362 6.621,363 2.172,364 3.469,365 2.385,366 5.038,367 3.156,368 2.214,369 2.619,371 6.088,372 2.053,373 3.3,374 2.226,375 5.035,376 2.932,377 1.985,378 2.548,380 5.702,381 1.876,382 3.108,383 1.97,384 4.756,385 2.681,386 1.733,387 2.323,389 4.932,390 1.636,391 2.954,392 1.816,393 4.233,394 2.477,395 1.545,396 2.104,398 3.959,399 1.438,400 2.831,401 1.598,402 3.597,403 2.42,404 1.435,405 1.948,407 3.049,408 1.36,409 2.5,410 1.418,411 3.329,412 2.027,413 1.085,414 1.5,415 2.136,416 1.013,417 2.379,418 1,419 3.288,420 2,421 1,422 1.245,423 1.997,424 1,425 1.936,426 0.839,427 3.247,428 1.564,429 0.616,430 0.792,431 1.303,432 0.566,433 1.746,434 0.67,435 3.007,436 1.521,437 0.548,438 0.639,439 1.086,440 0.532,441 1.389,442 0.413,443 2.751,444 1.048,445 0.137,446 0.164,448 0.27,449 0.116,450 1.109,451 0.212,452 2.589,453 0.81,454 -0.138,455 -0.16,457 -0.316,458 -0.126,459 14.348,460 0.478,461 0.66,462 0.022,463 39.75,464 1.325,465 21,466 0.7,467 18.75,468 0.625,469 25.19,470 0.84,471 32.452,472 0.601,473 31.411,474 1.047,475 7.951,476 0.265,477 6.561,478 0.219,479 0.164,481 0.307,485 0.88,486 1.157,487 0.697,488 0.925,489 1.065,490 0.891,491 0.748,492 1.057,493 0.714,494 0.939,495 0.694,496 0.922,497 1.015,498 1.16,499 0.893,500 0.916,501 0.888,502 0.903,503 0.914,504 1.275,505 0.957,506 1.087,507 0.704,508 1.036,509 1.21,510 1.193,511 0.93,512 0.976,513 1.181,514 1.039,515 0.899,516 1.007,517 0.867,518 0.95,519 0.879,520 0.98,521 1.009,522 0.879,523 1.194,524 1.048,525 0.998,526 0.975,527 1.293,528 0.804,529 1.545,530 1.124,531 1.283,532 1.056,533 6,534 0.219,535 2.889,536 2.375,537 1.729,538 0.965,539 0.77,540 0.495,541 0.382,542 0.192,543 11314,544 32874,545 2.012,546 44.4,547 3,548 14,551 5,552 2,555 1.731,556 1.875,557 3.509,558 2.452,560 1,564 88.835,565 1.645,566 3.902,567 4.801,568 5.245,569 5.296,570 5.296,571 2.893,572 4.64,573 4.88,574 3.675,575 1598.73,576 8.526,577 22601.2,579 1,582 310.764,583 1.436,584 4.831,585 0.188,586 0.008,587 0.067,588 0.052,589 0.038,590 0.022,591 0.019,592 0.013,593 0.012,594 0.006,595 0.425,597 1,598 1.018,599 154.68,600 -0.036,601 0.092,602 0.003,603 0.072,604 -0.182,605 0.048,606 0.099,607 0.078,608 0.072,609 0.055,610 0.071,611 0.043,612 -0.058,613 -0.087,614 0.033,615 0.047,616 -0.065,617 0.047,618 0.022,619 -0.192,620 -0.039,621 -0.141,622 0.093,623 -0.095,624 -0.184,625 -0.093,626 -0.13,627 -0.086,628 -0.174,629 -0.137,630 -0.014,631 -0.017,632 0.055,633 0.012,634 -0.021,635 -0.003,636 0.114,637 0.018,638 0.093,639 -0.001,640 0.093,641 0.046,642 0.015,643 0.107,644 -0.086,645 -0.036,646 -0.01,647 -0.037,648 1.543,649 3.362,650 0.6,651 29.067,652 1.006,653 1.137,654 3.718,655 13.823,656 0.67,657 3.497,658 3.784,659 4.025,660 4.277,661 4.466,662 4.489,663 4.543,664 4.585,665 4.615,666 4.605,667 6.99,668 0.638,669 425.97,670 3.497,671 5.017,672 5.849,673 6.715,674 7.567,675 8.441,676 9.3,677 10.178,678 11.042,679 11.922,680 13,684 2,687 1,690 2,692 2,695 8,696 2,700 8,702 18,711 2,717 1,718 54,719 19,720 2,721 32,723 56,724 21,725 16,726 4,727 8,729 3,730 3,731 1,734 2,739 1,741 16,742 5,744 1,750 2,754 1,757 24,758 8,759 5,760 9,761 1,764 7,769 1,770 1,771 1,776 1,781 3,800 1,802 3,806 1,807 1,810 30,811 2,815 1,816 4,821 1,828 1,829 1.9,830 1,836 16,837 9.676,838 6.861,839 3.138,840 3.731,841 1.513,842 0.955,843 7.577,844 11.011,845 3.761,846 4.337,847 4.9,848 5.466,849 5.998,850 6.204,851 6.542,852 6.889,853 7.225,854 7.49,855 0.875,856 46,857 11.004,859 4.528,860 7.815,861 20.745,863 16.318,865 2.315,866 69.444,869 1,870 223.651,871 114.179,872 135.571,873 39.149,874 42.683,877 114.179,878 305.483,879 135.571,880 8.825,881 9.748,882 184.288,883 33.571,884 18.571,885 37.431,886 223.651,887 39.149,888 223.651,889 249.75,890 42.683,891 39.149,893 223.651,895 42.683,897 23.229,898 159.746,899 105.923,901 223.651,902 178.254,903 153.328,906 223.651,907 29.544,908 87.637,910 214.401,911 223.651,912 178.254,913 153.328,915 0.566,916 0.332,917 0.187,918 0.102,919 18,920 9,921 0.143,922 8,924 1,925 4.064,926 256.587,928 18,929 143.207,933 21.969,934 10.346,935 5.674,937 178.254,938 15.186,939 8.367,943 4.65,945 108.478,946 555.233,947 42,953 8.596,956 54.316,957 61.378,958 0.286,959 0.678,960 0.834,961 0.911,962 0.92,963 0.92,964 4.973,965 1.545,966 5.82,967 4.932,968 4.466,969 5.024,970 0.623,971 6.605,972 4.374,973 6.171,974 1.435,975 7.362,976 3.959,977 4.007,978 4.745,980 7.469,981 3.835,982 7.465,983 1.085,984 9.005,985 3.049,986 6.028,987 7.192,988 0.317,989 10.569,990 5.861,991 8.794,992 1,993 10.708,994 2.136,995 6.382,996 7.72,998 12.291,999 6.147,1000 10.155,1001 0.616,1002 12.451,1003 1.997,1004 7.868,1005 9.639,1006 0.149,1007 14.918,1008 7.635,1009 11.539,1010 0.548,1011 14.223,1012 1.303,1013 8.616,1014 10.575,1016 17.022,1017 8.332,1018 12.942,1019 0.137,1020 16.017,1021 1.086,1022 9.881,1023 12.25,1024 0.067,1025 19.491,1026 9.591,1027 3.171,1028 -0.138,1029 17.829,1030 0.27,1031 10.825,1032 13.409,1034 21.765,1035 10.498,1036 2.801,1037 11.076,1038 19.656,1039 -0.316,1040 12.001,1041 14.961,1042 0.03,1043 24.182,1044 11.661,1045 2.648,1046 8.678,1047 21.496,1048 4.257,1049 13.042,1050 16.244,1052 26.528,1053 12.674,1054 2.273,1055 7.674,1056 23.346,1057 3.815,1058 14.184,1059 17.734,1060 0.013,1061 28.931,1062 13.8,1063 2.214,1064 6.621,1065 25.205,1066 3.458,1067 15.273,1068 19.084,1070 31.308,1071 14.866,1072 1.985,1073 6.088,1074 27.072,1075 3.012,1076 16.406,1077 20.544,1078 0.006,1079 33.708,1080 15.981,1081 1.733,1082 5.702,1083 28.945,1084 2.619,1085 17.519,1086 21.933,1088 36.099,1089 17.074,1090 11139,1091 19149,1092 20.978,1093 36.205,1094 47.056,1095 47.117,1096 48.703,1097 46.589,1098 46.384,1099 60.846,1100 1.315,1101 129.138,1102 44.049,1103 5.37,1104 5.278,1105 6.572,1106 5.216,1107 5.171,1108 7.257,1109 1.315,1110 17.964,1111 5.094,1112 16.193,1113 1.471,1114 1.472,1115 1.522,1116 1.456,1117 1.449,1118 1.901,1119 0.041,1120 4.036,1121 1.377,1122 4.019,1123 4.054,1124 4.057,1125 3.939,1126 6.456,1127 3.943,1128 3.913,1129 3.95,1130 3.842,1131 3.848,1132 5.287,1133 3.841,1134 3.766,1135 3.814,1136 3.824,1137 3.629,1138 5.039,1139 3.643,1140 3.593,1141 3.662,1142 3.491,1143 3.364,1144 4.975,1145 3.378,1146 3.392,1147 3.485,1148 3.291,1149 3.193,1150 4.767,1151 3.185,1152 3.212,1153 3.287,1154 3.204,1155 2.986,1156 4.686,1157 2.986,1158 3.109,1159 3.213,1160 3.082,1161 2.899,1162 4.465,1163 2.915,1164 3.004,1165 3.086,1166 2.929,1167 2.804,1168 4.221,1169 2.814,1170 0.142,1171 0.102,1172 0.212,1173 0.13,1174 0.099,1175 4.535,1176 0.133,1177 3.278,1178 0.021,1179 6.77,1180 0.346,1181 4.146,1182 0.097,1183 3.171,1184 4.257,1185 0.657,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.043,1191 2.065,1192 1.191,1193 2.055,1194 1.911,1195 1.88,1196 2.022,1197 2.009,1198 1.179,1199 2.019,1200 1.707,1201 1.664,1202 1.852,1203 1.872,1204 1.006,1205 1.864,1206 1.532,1207 1.461,1208 1.776,1209 1.778,1210 0.991,1211 1.781,1212 1.381,1213 1.296,1214 1.615,1215 1.633,1216 0.629,1217 1.652,1218 1.158,1219 1.089,1220 1.442,1221 1.438,1222 0.596,1223 1.431,1224 1.015,1225 0.942,1226 1.267,1227 1.37,1228 0.218,1229 1.355,1230 0.944,1231 0.874,1232 1.181,1233 1.196,1234 0.184,1235 1.185,1236 4.174,1238 5.468,1240 6.961,1242 8.551,1244 10.193,1246 1.97,1247 6.339,1250 11.837,1251 9.362,1252 1.46,1257 1.677,1262 34.433,1263 88.835,1264 210.71,1265 259.254,1266 283.254,1267 286.009,1268 286.009,1269 58.94,1270 7.279,1271 126.01,1272 126.01,1273 18,1274 12.461,1275 4.322,1276 3.459,1277 55.195,1278 125,1279 124,1280 0.212,1281 220.645,1282 376.68,1283 530.133,1284 14178,1285 1.9,1286 21.51,1287 0.717,1288 0.581,1289 22.01,1290 17.419,1291 14.512,1292 0.453,1293 0.31,1294 9.45,1295 13.702,1296 9.192,1297 7.66,1298 14.8,1299 9.924,1300 12.582,1301 0.293,1302 0.163,1303 12.953,1304 7.003,1305 10.186,1306 0.185,1307 0.087,1308 10.566,1309 4.764,1310 8.651,1311 0.122,1312 0.045,1313 8.886,1314 3.193,1315 6.74,1316 0.078,1317 0.025,1318 6.982,1319 2.108,1320 0.333,1321 93.866,1322 0.218,1323 28.374,1324 0.577,1325 150,1326 441.203,1327 178.92,1328 466.326,1329 629,1330 434,1331 173,1332 446.809,1333 198.438,1334 462.947,1335 669.05,1336 435,1337 5.155}
{0 CHEMBL298819,1 1.701,2 10.964,3 2.873,4 8.251,5 116.367,6 7.555,7 0.414,8 4.074,9 4.216,10 3.631,11 3.49,12 5.221,13 3.482,14 4.588,15 4.793,16 3.93,17 3.823,18 5.651,19 3.789,20 4.732,21 4.949,22 4.069,23 3.973,24 5.796,25 3.924,26 4.815,27 5.04,28 4.076,29 4.015,30 5.911,31 3.95,32 4.919,33 5.167,34 4.039,35 4.028,36 5.969,37 3.964,38 4.925,39 5.171,40 4.044,41 4.066,42 5.95,43 3.96,44 4.922,45 5.187,46 4.075,47 4.013,48 5.935,49 3.883,50 4.775,51 5.012,52 3.909,53 3.851,54 5.809,55 3.735,56 0.13,57 0.781,58 11.685,59 4.294,60 14.498,61 6.16,62 0.489,63 1.095,64 23.168,65 6.849,66 37.024,67 9.884,68 0.534,69 1.282,70 28.087,71 6.984,72 36.982,73 11.315,74 0.494,75 1.374,76 30.363,77 7.953,78 48.955,79 12.892,80 0.693,81 1.427,82 33.102,83 7.476,84 58.921,85 12.913,86 0.638,87 1.368,88 34.209,89 9.459,90 58.082,91 14.609,92 0.629,93 1.18,94 41.262,95 10.129,96 65.736,97 15.41,98 0.817,99 0.973,100 39.998,101 9.136,102 62.298,103 12.677,104 57,105 38,106 0.286,107 0.618,108 0.783,109 0.81,110 0.81,111 0.81,112 3.374,113 0.956,114 -3.77,115 -3.73,116 -3.55,119 33.3,120 1,121 1,124 2,125 4,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 4,172 3,173 3,175 1,178 6,180 1,181 2,182 7,187 1,189 6,191 1,192 2,193 11,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 2,207 8,212 4,215 4,218 4,220 3,221 3,223 1,224 1,226 2,229 1,231 2,233 2,234 6,236 1,237 1,239 2,241 1,243 2,245 2,246 8,248 2,249 2,254 1,260 5,262 1,263 1,265 1,270 1,273 1306,274 18.87,275 18.87,276 18.87,277 18.87,278 18.87,279 17.197,280 25.015,281 11.558,282 19.667,283 14.174,284 14.174,285 14.174,286 14.174,287 14.174,288 11.575,289 29.374,290 5.301,291 15.313,292 4.054,293 2.078,294 1.093,295 0.931,296 0.931,297 0.931,298 4.039,299 1,301 1,302 1,303 617,304 3.937,307 201.842,314 1.686,315 28.313,318 1,319 0.67,320 0.83,321 1,322 1,323 1,324 1,325 0.93,326 61.833,327 307,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.86,335 11.076,336 3.094,337 4.184,338 3.111,339 6.048,340 3.729,341 2.797,342 3.815,343 0.86,344 8.676,345 2.587,346 3.649,347 2.748,348 5.335,349 3.414,350 2.474,351 3.013,352 0.4,353 6.938,354 2.321,355 3.542,356 2.385,357 5.296,358 3.178,359 2.255,360 2.653,362 6.607,363 2.067,364 3.3,365 2.226,366 5.038,367 2.932,368 1.985,369 2.548,371 5.702,372 1.876,373 3.11,374 2.173,375 4.756,376 2.683,377 1.734,378 2.324,380 4.932,381 1.639,382 2.942,383 2.056,384 4.237,385 2.478,386 1.563,387 2.06,389 3.973,390 1.378,391 2.532,392 1.946,393 3.532,394 2.41,395 1.532,396 1.532,398 2.867,399 1.336,400 2.489,401 1.794,402 3.404,403 2.188,404 1.308,405 1.427,407 2.466,408 1.141,409 2.106,410 0.854,411 3.328,412 1.624,413 0.683,414 0.923,415 1.444,416 0.631,417 1.748,418 0.79,419 3.018,420 1.541,421 0.569,422 0.646,423 1.107,424 0.546,425 1.392,426 0.742,427 2.749,428 1.228,429 0.347,430 0.347,431 0.516,432 0.304,433 1.347,434 0.476,435 2.474,436 1.061,437 0.16,438 0.186,439 0.3,440 0.132,441 1.11,442 0.249,443 2.41,444 0.849,445 -0.072,446 -0.079,448 -0.131,449 -0.065,450 0.891,451 0.013,452 2.347,453 0.542,454 -0.333,455 -0.405,457 -0.715,458 -0.261,459 13.181,460 0.471,461 0.592,462 0.021,463 33,464 1.179,465 15,466 0.536,467 18,468 0.643,469 25.425,470 0.908,471 32.419,472 0.6,473 26.679,474 0.953,475 6.803,476 0.243,477 6.691,478 0.239,479 0.229,481 0.296,485 0.876,486 1.464,487 0.716,488 1.196,489 1.015,490 1.059,491 1.25,492 0.97,493 0.756,494 0.767,495 0.807,496 0.791,497 1.033,498 1.177,499 0.924,500 0.877,501 0.972,502 0.886,503 0.751,504 1.353,505 0.925,506 1.156,507 0.785,508 1.081,509 1.11,510 1.076,511 0.866,512 0.848,513 1.193,514 0.927,515 0.91,516 1.07,517 0.92,518 0.988,519 1.056,520 1.048,521 0.811,522 0.945,523 1.145,524 1.107,525 0.833,526 1.007,527 1.372,528 0.762,529 1.623,530 1.153,531 1.209,532 1.041,533 5.5,534 0.165,535 2.889,536 2.188,537 1.578,538 1.014,539 0.731,540 0.439,541 0.386,542 0.187,543 8585,544 26322,545 1.936,546 48.1,547 3,548 17,551 4,552 2,555 1.714,556 1.787,557 3.431,558 1.768,560 1,564 91.842,565 1.701,566 3.677,567 4.662,568 4.824,569 4.824,570 4.824,571 2.887,572 4.352,573 4.776,574 3.607,575 1363.47,576 8.328,577 18379.1,579 1,581 1,582 310.764,583 1.493,584 4.719,585 0.19,586 0.008,587 0.076,588 0.052,589 0.038,590 0.025,591 0.02,592 0.013,593 0.013,594 0.007,595 0.442,596 0.17,597 1,598 2.052,599 141.089,600 -0.014,601 -0.093,602 0.024,603 -0.09,604 -0.115,605 -0.031,606 -0.084,607 0.139,608 0.095,609 0.236,610 0.077,611 0.182,612 -0.079,613 -0.026,614 0.022,615 0.121,616 -0.07,617 0.086,618 0.069,619 -0.214,620 -0.012,621 -0.151,622 0.126,623 -0.092,624 -0.137,625 0.009,626 -0.05,627 0.047,628 -0.15,629 -0.005,630 -0.008,631 -0.027,632 -0.008,633 -0.003,634 -0.085,635 -0.065,636 0.111,637 -0.024,638 0.106,639 -0.051,640 0.146,641 0.02,642 -0.014,643 0.112,644 -0.113,645 -0.051,646 -0.045,647 -0.024,648 1.515,649 2.199,650 0.429,651 27.117,652 1.01,653 1.148,654 2.537,655 6.435,656 0.637,657 3.401,658 3.664,659 3.892,660 4.127,661 4.317,662 4.369,663 4.407,664 4.431,665 4.454,666 4.407,667 6.685,668 0.605,669 407.96,670 3.401,671 4.905,672 5.727,673 6.586,674 7.435,675 8.307,676 9.168,677 10.047,678 10.915,679 11.797,680 13,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 54,719 13,720 1,721 29,723 55,724 18,725 10,726 3,727 3,729 2,730 2,731 1,734 1,739 1,741 10,742 8,744 1,750 2,754 1,757 26,758 9,759 4,760 10,761 1,764 7,769 1,770 2,776 1,781 2,801 2,802 2,806 3,807 1,810 28,811 2,816 5,818 2,821 1,828 1,829 3.7,833 2,836 15.667,837 10.393,838 6.611,839 3.052,840 2.791,841 1.403,842 0.925,843 8.858,844 9.717,845 3.611,846 4.143,847 4.696,848 5.263,849 5.797,850 6.092,851 6.427,852 6.76,853 7.083,854 7.307,855 1,856 42,857 10.256,859 4.057,860 7.796,861 19.326,863 14.552,865 2.296,866 64.278,869 1,870 258.964,871 94.563,872 135.571,873 39.149,874 22,877 94.563,878 320.113,879 135.571,880 30.591,881 18.933,882 94.223,883 55.571,884 15.385,885 37.431,886 258.964,887 39.149,888 258.964,889 230.134,890 22,891 39.149,893 258.964,895 22,897 32.414,898 130.946,899 105.923,901 258.964,902 157.57,903 133.712,906 258.964,907 35.543,908 62.022,910 193.717,911 258.964,912 157.57,913 133.712,915 0.555,916 0.324,917 0.179,918 0.102,919 14,920 8,921 0.182,922 10,924 1,925 3.828,926 225.022,928 12,929 126.606,933 22.304,934 11.121,935 6.268,937 157.57,938 5.398,939 8.36,943 3.733,945 65.794,946 550.246,947 36,953 8.577,956 54.527,957 62.003,958 0.296,959 0.639,960 0.81,961 0.838,962 0.838,963 0.838,964 4.82,965 1.532,966 5.694,967 3.973,968 4.344,969 4.828,970 1.454,971 6.479,972 4.212,973 6.003,974 1.308,975 7.238,976 2.867,977 3.892,978 4.62,980 7.372,981 3.696,982 7.294,983 0.683,984 8.886,985 2.466,986 5.9,987 6.985,988 1.175,989 10.473,990 5.683,991 8.626,992 0.569,993 10.598,994 1.444,995 6.275,996 7.607,998 12.226,999 6.012,1000 9.993,1001 0.347,1002 12.35,1003 1.107,1004 7.747,1005 9.459,1006 0.966,1007 14.858,1008 7.467,1009 11.385,1010 0.16,1011 14.132,1012 0.516,1013 8.52,1014 10.478,1016 16.983,1017 8.209,1018 12.797,1019 -0.072,1020 15.935,1021 0.3,1022 9.778,1023 12.11,1024 0.788,1025 19.457,1026 9.449,1027 3.171,1028 -0.333,1029 17.757,1030 -0.131,1031 10.743,1032 13.331,1034 21.742,1035 10.392,1036 2.797,1037 11.076,1038 19.593,1039 -0.715,1040 11.918,1041 14.86,1042 0.634,1043 24.164,1044 11.549,1045 2.474,1046 8.676,1047 21.44,1048 4.257,1049 12.974,1050 16.183,1052 26.516,1053 12.586,1054 2.255,1055 6.938,1056 23.298,1057 3.815,1058 14.119,1059 17.663,1060 0.504,1061 28.921,1062 13.714,1063 1.985,1064 6.607,1065 25.164,1066 3.013,1067 15.219,1068 19.04,1070 31.302,1071 14.797,1072 1.734,1073 5.702,1074 27.036,1075 2.653,1076 16.356,1077 20.496,1078 0.395,1079 33.703,1080 15.917,1081 1.563,1082 4.932,1083 28.915,1084 2.548,1085 17.477,1086 21.901,1088 36.096,1089 17.021,1090 8883,1091 15691,1092 18.493,1093 34.421,1094 41.478,1095 42.274,1096 44.126,1097 41.286,1098 41.156,1099 51.462,1100 4.24,1101 113.207,1102 38.105,1103 5.414,1104 5.278,1105 6.649,1106 5.216,1107 5.171,1108 7.257,1109 1.72,1110 17.964,1111 5.094,1112 17.167,1113 1.43,1114 1.458,1115 1.522,1116 1.424,1117 1.419,1118 1.775,1119 0.146,1120 3.904,1121 1.314,1122 4.014,1123 4.049,1124 4.055,1125 3.935,1126 5.287,1127 3.939,1128 3.778,1129 3.837,1130 3.824,1131 3.629,1132 5.04,1133 3.644,1134 3.697,1135 3.753,1136 3.602,1137 3.467,1138 4.975,1139 3.485,1140 3.466,1141 3.517,1142 3.296,1143 3.2,1144 4.738,1145 3.21,1146 3.392,1147 3.485,1148 3.293,1149 3.193,1150 4.61,1151 3.185,1152 3.248,1153 3.331,1154 3.204,1155 2.927,1156 4.607,1157 2.955,1158 3.111,1159 3.217,1160 3.12,1161 2.885,1162 4.465,1163 2.893,1164 3.001,1165 3.11,1166 2.913,1167 2.789,1168 4.22,1169 2.789,1170 0.156,1171 0.113,1172 0.233,1173 0.143,1174 0.109,1175 4.535,1176 0.147,1177 3.278,1178 0.03,1179 6.77,1180 0.382,1181 4.146,1182 0.107,1183 3.171,1184 4.257,1185 0.86,1186 11.076,1187 3.094,1188 1.957,1189 1.935,1190 2.024,1191 2.064,1192 1.189,1193 2.053,1194 1.71,1195 1.666,1196 1.871,1197 1.925,1198 1.133,1199 1.907,1200 1.623,1201 1.557,1202 1.842,1203 1.837,1204 1.004,1205 1.839,1206 1.402,1207 1.343,1208 1.71,1209 1.702,1210 0.917,1211 1.703,1212 1.381,1213 1.296,1214 1.615,1215 1.633,1216 0.596,1217 1.652,1218 1.164,1219 1.073,1220 1.546,1221 1.509,1222 0.57,1223 1.515,1224 1.038,1225 0.939,1226 1.466,1227 1.373,1228 0.551,1229 1.372,1230 1.015,1231 0.929,1232 1.267,1233 1.313,1234 0.189,1235 1.356,1236 4.078,1238 5.352,1240 6.828,1242 8.41,1244 10.053,1246 5.248,1247 6.31,1250 11.81,1252 2.873,1254 10.21,1257 1.758,1262 32.675,1263 91.842,1264 198.544,1265 251.744,1266 260.499,1267 260.499,1268 260.499,1269 61.469,1270 6.926,1271 124.24,1272 124.24,1273 12,1274 12.335,1275 3.807,1276 3,1277 61.742,1278 111,1279 116,1280 0.271,1281 212.039,1282 364.75,1283 509.136,1284 8488,1285 1.9,1286 20.518,1287 0.733,1288 0.611,1289 21.018,1290 17.109,1291 13.494,1292 0.465,1293 0.319,1294 8.69,1295 12.434,1296 8.38,1297 7.019,1298 13.783,1299 9.237,1300 11.338,1301 0.298,1302 0.167,1303 11.709,1304 6.344,1305 9.03,1306 0.188,1307 0.09,1308 9.41,1309 4.305,1310 7.387,1311 0.121,1312 0.045,1313 7.622,1314 2.723,1315 5.829,1316 0.079,1317 0.025,1318 6.071,1319 1.817,1320 0.425,1321 89.468,1322 0.233,1323 26.741,1324 0.745,1325 134,1326 448.524,1327 165.909,1328 456.779,1329 604.43,1330 426,1331 153,1332 412.748,1333 181.317,1334 428.518,1335 615.1,1336 397,1337 4.583}
{0 CHEMBL299045,1 1.697,2 7.75,3 2.82,4 7.954,5 97.216,6 9.055,7 0.571,8 3.583,9 3.724,10 3.292,11 3.109,12 4.928,13 3.111,14 4.002,15 4.174,16 3.647,17 3.47,18 5.288,19 3.442,20 4.216,21 4.405,22 3.791,23 3.61,24 5.43,25 3.581,26 4.251,27 4.422,28 3.762,29 3.62,30 5.557,31 3.582,32 4.376,33 4.596,34 3.648,35 3.595,36 5.671,37 3.539,38 4.391,39 4.676,40 3.443,41 3.455,42 5.516,43 3.341,44 4.144,45 4.442,46 3.425,47 3.138,48 5.356,49 3.032,50 3.685,51 3.948,52 2.967,53 2.709,54 5.168,55 2.609,56 0.127,57 0.533,58 4.682,59 2.211,60 18.215,61 2.724,62 0.201,63 0.75,64 9.045,65 4.132,66 25.521,67 5.384,68 0.284,69 0.86,70 13.931,71 4.487,72 31.192,73 5.88,74 0.277,75 0.908,76 13.303,77 4.718,78 32.462,79 6.096,80 0.375,81 0.943,82 14.258,83 4.426,84 55.605,85 5.973,86 0.424,87 0.807,88 19.873,89 5.677,90 55.689,91 8.299,92 0.43,93 0.545,94 19.046,95 4.459,96 53.472,97 6.756,98 0.322,99 0.331,100 14.562,101 2.644,102 47.598,103 3.488,104 31,105 29,106 0.317,107 0.728,108 0.819,109 0.871,110 0.871,111 0.871,112 3.059,113 0.891,114 -3.69,115 -3.66,116 -3.48,119 37.5,120 1,121 1,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,162 1,166 5,168 1,169 1,170 4,171 1,172 3,173 3,175 1,178 6,180 1,182 6,187 1,189 6,191 2,193 7,195 1,196 1,197 1,198 5,200 2,201 4,202 1,204 8,205 1,207 3,212 4,215 4,216 3,218 6,220 2,221 1,223 1,224 1,226 2,229 1,230 2,231 2,234 3,236 2,239 2,240 1,241 1,243 3,244 1,247 2,248 1,249 1,252 1,254 1,255 1,256 1,257 1,265 1,267 1,269 1,270 1,272 1,273 474,274 13.309,275 13.309,276 13.309,277 13.309,278 13.309,279 11.291,280 14.64,281 7.833,282 13.634,283 10.242,284 10.242,285 10.242,286 10.242,287 10.242,288 7.43,289 14.507,290 3.516,291 10.847,292 3.303,293 1.097,294 0.61,295 0.336,296 0.336,297 0.336,298 3.711,299 1,300 1,301 1,302 1,303 313,304 2.55,307 128.825,314 1.1,315 21.142,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 43.833,327 155,328 4.535,329 3.277,330 6.77,331 4.146,332 3.171,333 4.258,335 11.075,336 3.094,337 4.183,338 3.108,339 6.045,340 3.717,341 2.786,342 3.824,344 8.66,345 2.571,346 3.629,347 2.385,348 5.304,349 3.187,350 2.26,351 3.018,353 6.618,354 2.083,355 3.302,356 2.226,357 5.038,358 2.932,359 1.985,360 2.552,362 5.702,363 1.877,364 3.246,365 1.998,366 4.756,367 2.693,368 1.739,369 2.49,371 4.933,372 1.654,373 3.081,374 1.841,375 4.245,376 2.52,377 1.601,378 2.278,380 3.987,381 1.411,382 2.711,383 1,384 3.328,385 2,386 1,387 1.713,389 1.792,390 1,391 1.759,392 0.805,393 3.183,394 1.546,395 0.579,396 0.655,398 1.129,399 0.549,400 1.501,401 0.479,402 2.749,403 1.08,404 0.185,405 0.223,407 0.334,408 0.149,409 1.294,410 0.05,411 2.454,412 0.806,413 -0.119,414 -0.153,415 -0.251,416 -0.105,417 0.962,418 -0.305,419 2.307,420 0.44,421 -0.477,422 -0.587,423 -1.122,424 -0.436,425 0.823,426 -0.333,427 2.238,428 0.353,429 -0.567,430 -0.773,431 -1.17,432 -0.477,433 0.609,434 -0.674,435 1.872,436 0.016,437 -0.911,438 -1.034,439 -1.996,440 -0.813,441 0.238,442 -1,443 1.484,445 -1,446 -1.609,448 -2.543,449 -1,450 -0.05,451 -1.022,452 1.434,453 -0.515,454 -1.314,455 -1.629,457 -3.383,458 -1.064,459 9.514,460 0.476,461 0.524,462 0.026,463 28,464 1.4,465 15.5,466 0.775,467 12.5,468 0.625,469 13.713,470 0.686,471 21.086,472 0.659,473 19.604,474 0.98,475 5.583,476 0.279,477 3.979,478 0.199,479 0.254,481 0.368,485 0.796,486 1.035,487 0.596,488 0.776,489 0.805,490 0.765,491 0.409,492 0.912,493 0.542,494 0.863,495 0.316,496 0.817,497 0.984,498 1.106,499 0.85,500 0.886,501 0.661,502 0.827,503 0.878,504 1.363,505 1.014,506 1.322,507 0.693,508 1.22,509 1.187,510 1.247,511 0.932,512 1.122,513 1.14,514 1.223,515 0.817,516 0.905,517 0.732,518 0.891,519 0.874,520 0.98,521 0.618,522 0.8,523 0.737,524 0.843,525 0.743,526 0.804,527 1.667,528 0.724,529 1.983,530 1.11,531 1.343,532 1.069,533 4.5,535 2.444,536 2.063,537 1.418,538 0.792,539 0.566,540 0.259,541 0.148,542 0.036,543 3073,544 12097,545 1.938,546 37.5,547 3,548 3,551 4,552 2,555 1.625,556 1.765,557 2.953,558 2.076,560 1,564 54.309,565 1.697,566 3.903,567 4.39,568 4.664,569 4.664,570 4.664,571 2.409,572 3.784,573 4.292,574 3.041,575 577.703,576 7.369,577 5799.15,579 1,581 1,582 160,583 1.559,584 4.219,585 0.214,587 0.084,588 0.064,589 0.046,590 0.03,591 0.028,592 0.016,593 0.015,594 0.009,595 0.507,596 0.5,597 1,598 1.264,599 86.903,600 -0.046,601 0.199,602 -0.013,603 0.141,604 -0.106,605 0.084,606 0.31,607 0.2,608 0.175,609 0.136,610 0.259,611 0.145,612 -0.115,613 -0.052,614 0.044,615 0.108,616 -0.041,617 0.128,618 -0.03,619 -0.276,620 -0.17,621 -0.347,622 0.029,623 -0.298,624 -0.301,625 -0.209,626 -0.22,627 -0.242,628 -0.204,629 -0.328,630 0.051,631 -0.062,632 0.13,633 0.072,634 -0.022,635 0.073,636 0.426,637 -0.046,638 0.428,639 0.174,640 0.224,641 0.296,642 -0.178,643 0.066,644 -0.289,645 -0.077,646 0.114,647 -0.078,648 1.535,649 2.531,650 0.6,651 12.9,652 1.021,653 1.146,654 2.464,655 6.073,656 0.693,657 3.091,658 3.401,659 3.664,660 3.932,661 4.111,662 4.127,663 4.127,664 4.078,665 3.951,666 3.738,667 4.667,668 0.674,669 289.76,670 3.091,671 4.615,672 5.46,673 6.344,674 7.212,675 8.103,676 8.978,677 9.871,678 10.749,679 11.643,680 21.9,684 2,690 2,692 1,693 1,695 3,696 2,700 7,702 12,711 2,717 1,718 32,719 14,720 1,721 21,723 33,724 12,725 10,726 3,727 3,729 2,730 2,731 1,734 1,739 1,741 10,742 2,744 2,750 1,753 1,754 1,757 12,758 6,759 4,760 8,761 1,764 7,765 1,769 1,776 1,781 2,802 2,806 1,807 1,810 20,811 2,816 1,828 1,836 11.333,837 6.076,838 4.611,839 1.863,840 2.702,841 1.428,842 0.962,843 4.183,844 9.012,845 3.401,846 4.025,847 4.6,848 5.215,849 5.753,850 6.024,851 6.352,852 6.68,853 6.906,854 7.111,855 1,856 32,857 7.244,859 2.973,860 8.064,861 13.278,863 10.262,865 2.564,866 51.278,870 94.169,871 59.401,872 162.893,873 39.149,877 59.401,878 133.317,879 162.893,880 17.222,881 4.211,882 103.699,883 53.297,884 33.571,885 4.227,886 164.795,888 94.169,889 222.294,891 39.149,893 164.795,894 22,897 21.877,898 140.145,899 50.357,901 94.169,902 162.893,903 98.549,906 94.169,907 22.147,908 37.254,910 202.042,911 94.169,912 162.893,913 98.549,915 0.571,916 0.346,917 0.199,918 0.11,919 13,920 7,921 0.091,922 3,924 1,925 3.048,926 147.343,928 12,929 86.439,933 14.257,934 5.868,935 2.9,937 147.578,938 5.047,939 8.142,943 3.225,945 65.794,946 355.611,947 29,953 3.537,956 32.687,957 36.678,958 0.339,959 0.781,960 0.878,961 0.933,962 0.933,963 0.933,964 4.615,965 0.579,966 5.46,967 1.792,968 4.078,969 4.71,971 6.293,972 3.969,973 5.848,974 0.185,975 7.038,976 1.129,977 3.761,978 4.559,980 7.265,981 3.568,982 7.168,983 -0.119,984 8.717,985 0.334,986 5.687,987 6.949,989 10.372,990 5.495,991 8.524,992 -0.477,993 10.454,994 -0.251,995 6.155,996 7.571,998 12.164,999 5.899,1000 9.909,1001 -0.567,1002 12.228,1003 -1.122,1004 7.59,1005 9.453,1007 14.808,1008 7.333,1009 11.314,1010 -0.911,1011 14.028,1012 -1.17,1013 8.423,1014 10.464,1016 16.953,1017 8.123,1018 12.737,1019 -1,1020 15.848,1021 -1.996,1022 9.669,1023 12.114,1025 19.435,1026 9.359,1027 3.171,1028 -1.314,1029 17.684,1030 -2.543,1031 10.67,1032 13.328,1034 21.728,1035 10.332,1036 2.786,1037 11.075,1038 19.531,1039 -3.383,1040 11.843,1041 14.867,1043 24.154,1044 11.491,1045 2.26,1046 8.66,1047 21.389,1048 4.258,1049 12.92,1050 16.187,1052 26.51,1053 12.546,1054 1.985,1055 6.618,1056 23.256,1057 3.824,1058 14.069,1059 17.671,1061 28.917,1062 13.678,1063 1.739,1064 5.702,1065 25.129,1066 3.018,1067 15.18,1068 19.046,1070 31.299,1071 14.769,1072 1.601,1073 4.933,1074 27.008,1075 2.552,1076 16.321,1077 20.504,1079 33.701,1080 15.893,1081 1,1082 3.987,1083 28.891,1084 2.49,1085 17.449,1086 21.908,1088 36.095,1089 17.003,1090 3239,1091 6541,1092 13.235,1093 22.182,1094 31.035,1095 31.291,1096 33.145,1097 30.756,1098 30.613,1099 42.02,1101 88.461,1102 28.775,1103 5.209,1104 5.277,1105 6.533,1106 5.216,1107 5.171,1108 7.258,1110 17.964,1111 5.094,1112 12.021,1113 1.478,1114 1.49,1115 1.578,1116 1.465,1117 1.458,1118 2.001,1120 4.212,1121 1.37,1122 4.013,1123 4.046,1124 4.056,1125 3.934,1126 6.727,1127 3.939,1128 3.771,1129 3.822,1130 3.826,1131 3.63,1132 5.286,1133 3.645,1134 3.393,1135 3.486,1136 3.356,1137 3.194,1138 4.985,1139 3.186,1140 3.32,1141 3.427,1142 3.265,1143 2.956,1144 4.931,1145 3.022,1146 3.095,1147 3.207,1148 3.204,1149 2.857,1150 4.467,1151 2.875,1152 2.875,1153 2.959,1154 2.904,1155 2.623,1156 4.307,1157 2.641,1158 2.722,1159 2.809,1160 2.618,1161 2.48,1162 4.127,1163 2.518,1164 2.643,1165 2.713,1166 2.548,1167 2.419,1168 3.965,1169 2.411,1170 0.216,1171 0.156,1172 0.322,1173 0.197,1174 0.151,1175 4.535,1176 0.203,1177 3.277,1179 6.77,1180 0.527,1181 4.146,1182 0.147,1183 3.171,1184 4.258,1186 11.075,1187 3.094,1188 1.958,1189 1.935,1190 2.024,1191 2.065,1192 1.189,1193 2.053,1194 1.708,1195 1.665,1196 1.852,1197 1.878,1198 1.004,1199 1.864,1200 1.382,1201 1.297,1202 1.616,1203 1.634,1204 0.596,1205 1.654,1206 1.106,1207 1.017,1208 1.268,1209 1.51,1210 0.183,1211 1.423,1212 0.994,1213 0.913,1214 1.199,1215 1.365,1216 0.128,1217 1.346,1218 0.815,1219 0.718,1220 1.121,1221 1.099,1222 0.027,1223 1.118,1224 0.676,1225 0.571,1226 0.976,1227 0.95,1229 0.979,1230 0.578,1231 0.503,1232 0.793,1233 0.789,1235 0.817,1236 3.761,1238 5.069,1240 6.589,1242 8.215,1244 9.895,1246 1.939,1247 5.954,1250 11.518,1252 0.645,1262 21.558,1263 54.309,1264 124.881,1265 140.49,1266 149.245,1267 149.245,1268 149.245,1269 34.553,1270 6.31,1271 126.58,1272 126.58,1273 12,1274 12.172,1275 3.907,1276 3.17,1277 36.131,1278 55,1279 60,1280 0.336,1281 143.565,1282 240.73,1283 342.06,1284 3516,1285 3.1,1286 14.698,1287 0.735,1288 0.574,1289 15.198,1290 11.478,1291 9.562,1292 0.455,1293 0.297,1294 5.806,1295 8.868,1296 5.629,1297 4.709,1298 9.851,1299 6.239,1300 8.399,1301 0.29,1302 0.152,1303 8.77,1304 4.419,1305 6.812,1306 0.179,1307 0.081,1308 7.192,1309 3.085,1310 5.889,1311 0.118,1312 0.042,1313 6.124,1314 2.079,1315 4.544,1316 0.076,1317 0.023,1318 4.822,1319 1.372,1320 0.502,1321 63.353,1322 0.275,1323 19.433,1324 0.998,1325 100,1326 337.345,1327 125.427,1328 367.642,1329 484.66,1330 338,1331 117,1332 335.011,1333 138.166,1334 349.632,1335 503.58,1336 327,1337 6.481}
{0 CHEMBL299140,1 1.458,2 10.208,3 2.962,4 8.774,5 96.817,6 7.91,7 0.815,8 3.816,9 3.951,10 3.437,11 3.389,12 5.006,13 3.384,14 4.269,15 4.428,16 3.799,17 3.767,18 5.451,19 3.74,20 4.507,21 4.711,22 3.852,23 3.877,24 5.62,25 3.83,26 4.505,27 4.717,28 3.699,29 3.816,30 5.585,31 3.735,32 4.507,33 4.753,34 3.494,35 3.721,36 5.504,37 3.608,38 4.417,39 4.699,40 3.315,41 3.569,42 5.349,43 3.44,44 4.186,45 4.448,46 3.286,47 3.45,48 5.12,49 3.357,50 4.024,51 4.235,52 3.29,53 3.4,54 5.096,55 3.328,56 0.049,57 0.66,58 7.331,59 2.953,60 10.519,61 3.813,62 0.133,63 1.018,64 12.293,65 5.218,66 18.379,67 6.931,68 0.235,69 1.232,70 17.527,71 6.322,72 26.655,73 8.645,74 0.154,75 1.184,76 17.69,77 6.692,78 26.178,79 9.259,80 0.192,81 1.125,82 19.28,83 6.762,84 32.968,85 9.569,86 0.273,87 0.986,88 19.315,89 6.458,90 34.502,91 9.359,92 0.13,93 0.796,94 14.729,95 5.234,96 19.878,97 7.534,98 0.098,99 0.724,100 10.991,101 4.271,102 16.376,103 5.899,104 5,105 38,106 0.253,107 0.571,108 0.716,109 0.84,110 0.881,111 0.899,112 3.228,113 0.845,114 -4.17,115 -4.12,116 -3.89,119 45,125 1,139 9,140 2,141 1,143 3,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 2,172 3,173 3,175 2,178 11,181 2,182 2,184 1,185 2,187 4,189 9,193 1,195 1,196 1,197 1,198 6,200 2,201 5,204 2,205 1,207 3,209 1,210 1,212 3,215 4,218 2,221 3,224 2,225 1,228 1,229 5,234 3,241 6,246 5,250 1,251 2,253 1,254 4,256 2,260 6,265 3,268 1,270 3,273 722,274 16.447,275 16.447,276 16.447,277 16.447,278 16.447,279 13.824,280 16.037,281 9.694,282 16.733,283 13.353,284 13.353,285 13.353,286 13.353,287 13.353,288 9.446,289 23.348,290 4.613,291 13.847,292 3.864,293 2.036,294 1.201,295 0.488,296 0.25,297 0.15,298 3.932,300 1,301 1,302 1,303 544,304 2.449,307 226.72,311 193.163,314 1.458,315 17.045,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51,327 245,328 4.542,329 3.141,330 6.508,331 4.039,332 3.081,333 4.491,334 0.657,335 10.202,336 3.006,337 4.492,338 3.072,339 6.5,340 4.014,341 3.028,342 4.429,344 10.168,345 2.931,346 3.777,347 2.647,348 5.339,349 3.374,350 2.423,351 3.237,353 6.929,354 2.305,355 3.509,356 2.231,357 5.172,358 3.077,359 2.117,360 2.906,362 6.198,363 2.038,364 3.427,365 2.134,366 5.062,367 2.961,368 2.023,369 2.811,371 5.8,372 1.885,373 3.358,374 2.025,375 4.966,376 2.893,377 1.941,378 2.686,380 5.732,381 1.84,382 3.118,383 1.618,384 4.167,385 2.618,386 1.618,387 2.427,389 3.801,390 1.618,391 2.77,392 1.29,393 3.71,394 2.275,395 1.277,396 1.904,398 2.853,399 1.274,400 2.458,401 1.154,402 3.601,403 2.013,404 1.041,405 1.441,407 2.565,408 1.01,409 2.41,410 1.057,411 3.419,412 1.947,413 1,414 1.376,415 2.369,416 0.944,417 1.881,418 0.726,419 3.125,420 1.551,421 0.592,422 0.745,423 1.402,424 0.567,425 1.391,426 0.179,427 2.733,428 0.972,429 0.034,430 0.045,431 0.086,432 0.032,433 1.028,434 -0.238,435 2.569,436 0.596,437 -0.366,438 -0.485,439 -0.925,440 -0.35,441 0.951,442 -0.307,443 2.448,444 0.466,445 -0.459,446 -0.59,448 -1.169,449 -0.424,450 0.882,451 -0.618,452 2.301,453 0.382,454 -0.618,455 -0.927,457 -1.478,458 -0.618,459 11.4,460 0.475,461 0.554,462 0.023,463 37.5,464 1.563,465 21.5,466 0.896,467 16,468 0.667,469 14.144,470 0.589,471 24,472 0.6,473 25.417,474 1.059,475 7.457,476 0.311,477 4.246,478 0.177,479 0.07,481 0.351,485 1.16,486 1.106,487 0.78,488 0.818,489 1.301,490 0.758,491 0.632,492 1.051,493 0.774,494 1.001,495 0.516,496 0.926,497 0.995,498 0.951,499 0.953,500 0.934,501 0.826,502 0.937,503 0.93,504 1.203,505 1.104,506 1.238,507 0.748,508 1.204,509 1.08,510 1.071,511 1.192,512 1.165,513 1.136,514 1.189,515 0.923,516 0.692,517 1.022,518 0.864,519 0.979,520 0.94,521 0.857,522 0.821,523 0.806,524 0.794,525 0.731,526 0.793,527 0.833,528 0.978,529 0.94,530 1.008,531 0.901,532 0.993,533 4.5,534 0.103,535 2.667,536 1.5,537 1.493,538 0.444,539 0.283,540 0.236,541 0.209,542 0.177,543 6919,544 17993,545 2.161,546 40,548 11,551 5,555 1.665,556 2.057,557 3.309,558 2.619,559 1,560 1,562 1,564 58.309,565 1.458,566 3.286,567 4.121,568 4.834,569 5.072,570 5.172,571 2.709,572 4.054,573 4.563,574 3.451,575 952.501,576 7.851,577 11218.6,578 1,579 1,580 1,581 1,582 212.877,583 1.281,584 4.532,585 0.167,586 0.006,587 0.07,588 0.038,589 0.047,590 0.018,591 0.013,592 0.011,593 0.009,594 0.009,595 0.389,596 0.33,597 1,598 0.49,599 114.344,600 -0.213,601 0.031,602 0.01,603 0.117,604 -0.33,605 0.1,606 0.259,607 0.029,608 0.06,609 -0.043,610 0.22,611 -0.024,612 0.057,613 0.097,614 -0.034,615 0.007,616 0.021,617 -0.02,619 -0.21,620 -0.174,621 -0.269,622 0.097,623 -0.251,624 -0.117,625 -0.122,626 -0.199,627 -0.187,628 -0.148,629 -0.201,630 0.064,631 0.213,632 0.04,633 0.135,634 -0.035,635 0.094,636 -0.01,637 0.081,638 0.217,639 0.23,640 0.053,641 0.251,642 0.01,643 0.004,644 -0.013,645 -0.013,646 -0.009,647 -0.016,648 1.511,649 1.894,650 0.833,651 17.924,652 1.001,653 1.127,654 2.943,655 8.66,656 0.696,657 3.332,658 3.664,659 3.951,660 4.234,661 4.477,662 4.466,663 4.543,664 4.635,665 4.779,666 4.754,667 6.008,668 0.669,669 316.4,670 3.332,671 4.875,672 5.733,673 6.616,674 7.487,675 8.372,676 9.247,677 10.131,678 11.008,679 11.891,680 15,684 2,685 1,690 3,694 4,695 9,696 3,700 4,702 22,711 2,712 1,718 40,719 22,720 2,721 27,723 43,724 18,725 17,726 3,727 7,729 4,730 6,741 17,742 1,753 1,754 1,757 16,758 6,759 5,760 6,764 6,769 0.5,775 1,776 1,781 4,785 2,802 2,810 24,811 2,816 1,817 1,836 11.667,837 7.017,838 5.194,839 2.196,840 4.538,841 1.605,842 1.068,843 3.634,844 12.044,845 3.664,846 4.357,847 5.024,848 5.672,849 6.281,850 6.536,851 6.902,852 7.272,853 7.694,854 7.683,855 0.857,856 39,857 8.786,859 3.754,860 7.681,861 16.742,863 13.783,865 2.181,866 52.333,869 1,870 129.482,871 106.567,872 134.162,877 106.567,878 129.482,879 134.162,881 2.106,882 151.081,883 68.367,884 14.948,885 4.227,886 129.482,888 129.482,889 240.728,893 129.482,897 11.05,898 161.311,899 68.367,901 129.482,902 134.162,903 106.567,906 129.482,907 21.28,908 85.286,909 18.011,910 116.151,911 129.482,912 134.162,913 106.567,915 0.583,916 0.345,917 0.196,918 0.108,919 20,920 8,921 0.07,922 3,923 2,924 1.2,925 3.693,926 199.238,927 0.2,928 20,929 108.039,933 14.669,934 5.947,935 2.851,936 3.592,937 134.162,938 18.21,939 12.647,943 2.375,945 83.805,946 370.21,947 38,956 40.029,957 45.066,958 0.274,959 0.618,960 0.774,961 0.908,962 0.953,963 0.972,964 4.879,965 1.277,966 5.714,967 3.801,968 4.344,969 5.043,970 0.623,971 6.524,972 4.273,973 6.114,974 1.041,975 7.268,976 2.853,977 3.892,978 4.913,980 7.402,981 3.78,982 7.437,983 1,984 8.921,985 2.565,986 5.932,987 7.38,988 0.317,989 10.513,990 5.797,991 8.798,992 0.592,993 10.634,994 2.369,995 6.293,996 8.087,998 12.23,999 6.123,1000 10.191,1001 0.034,1002 12.386,1003 1.402,1004 7.8,1005 10.012,1006 0.149,1007 14.848,1008 7.608,1009 11.607,1010 -0.366,1011 14.165,1012 0.086,1013 8.558,1014 11.132,1016 16.917,1017 8.336,1018 13.042,1019 -0.459,1020 15.964,1021 -0.925,1022 9.837,1023 12.819,1024 0.067,1025 19.357,1026 9.594,1027 3.081,1028 -0.618,1029 17.778,1030 -1.169,1031 10.789,1032 14.142,1034 21.573,1035 10.517,1036 3.028,1037 10.202,1038 19.604,1039 -1.478,1040 11.971,1041 15.723,1042 0.03,1043 23.943,1044 11.676,1045 2.423,1046 10.168,1047 21.439,1048 4.491,1049 13.013,1050 17.14,1052 26.22,1053 12.69,1054 2.117,1055 6.929,1056 23.281,1057 4.429,1058 14.155,1059 18.674,1060 0.013,1061 28.562,1062 13.808,1063 2.023,1064 6.198,1065 25.13,1066 3.237,1067 15.238,1068 20.134,1070 30.864,1071 14.864,1072 1.941,1073 5.8,1074 26.983,1075 2.906,1076 16.364,1077 21.647,1078 0.006,1079 33.194,1080 15.965,1081 1.618,1082 5.732,1083 28.84,1084 2.811,1085 17.465,1086 23.127,1088 35.507,1089 17.039,1090 6448,1091 10532,1092 18.493,1093 27.841,1094 40.522,1095 40.522,1096 41.213,1097 40.356,1098 40.35,1099 56.996,1100 1.315,1101 116.213,1102 38.901,1103 5.37,1104 5.141,1105 6.197,1106 5.112,1107 5.081,1108 7.491,1109 1.315,1110 17.096,1111 5.006,1112 8.834,1113 1.501,1114 1.501,1115 1.526,1116 1.495,1117 1.494,1118 2.111,1119 0.049,1120 4.304,1121 1.441,1122 4.101,1123 4.132,1124 4.061,1125 4.046,1126 5.323,1127 4.044,1128 4.025,1129 4.061,1130 3.997,1131 3.906,1132 4.989,1133 3.926,1134 3.561,1135 3.629,1136 3.484,1137 3.413,1138 4.912,1139 3.416,1140 3.447,1141 3.498,1142 3.354,1143 3.32,1144 4.772,1145 3.329,1146 3.208,1147 3.286,1148 3.092,1149 3.035,1150 4.37,1151 3.041,1152 3.113,1153 3.228,1154 3.004,1155 2.86,1156 4.232,1157 2.873,1158 2.962,1159 3.024,1160 2.834,1161 2.782,1162 4.004,1163 2.803,1164 2.671,1165 2.761,1166 2.542,1167 2.575,1168 3.902,1169 2.56,1170 0.168,1171 0.116,1172 0.241,1173 0.15,1174 0.114,1175 4.542,1176 0.166,1177 3.141,1178 0.024,1179 6.508,1180 0.378,1181 4.039,1182 0.111,1183 3.081,1184 4.491,1185 0.657,1186 10.202,1187 3.006,1188 2.073,1189 2.052,1190 2.155,1191 2.145,1192 1.291,1193 2.147,1194 1.963,1195 1.928,1196 2.02,1197 2.103,1198 1.109,1199 2.084,1200 1.52,1201 1.47,1202 1.689,1203 1.72,1204 0.778,1205 1.712,1206 1.431,1207 1.377,1208 1.601,1209 1.585,1210 0.67,1211 1.601,1212 1.171,1213 1.104,1214 1.396,1215 1.407,1216 0.366,1217 1.414,1218 1.009,1219 0.933,1220 1.273,1221 1.383,1222 0.299,1223 1.364,1224 0.963,1225 0.875,1226 1.222,1227 1.135,1228 0.062,1229 1.167,1230 0.69,1231 0.639,1232 0.948,1233 0.932,1235 0.943,1236 4.007,1238 5.333,1240 6.868,1242 8.502,1244 10.187,1250 11.502,1252 0.577,1253 3.431,1262 26.762,1263 58.309,1264 131.454,1265 164.838,1266 193.367,1267 202.877,1268 206.877,1269 27.416,1270 7.506,1271 102.74,1272 102.74,1273 24,1274 12.426,1275 4.524,1276 3.585,1277 34.017,1278 89,1279 76,1280 0.19,1281 165.351,1282 266.52,1283 395.216,1284 19727,1286 16.518,1287 0.688,1288 0.537,1289 16.518,1290 12.9,1291 11.704,1292 0.433,1293 0.282,1294 7.524,1295 11.376,1296 7.378,1297 6.122,1298 11.704,1299 7.608,1300 10.634,1301 0.28,1302 0.145,1303 10.634,1304 5.518,1305 9.036,1306 0.177,1307 0.076,1308 9.036,1309 3.894,1310 7.913,1311 0.116,1312 0.041,1313 7.913,1314 2.759,1315 6.551,1316 0.075,1317 0.022,1318 6.551,1319 1.895,1320 0.299,1321 72.477,1322 0.233,1323 23.45,1324 0.516,1325 130,1326 337.893,1327 140.158,1328 342.882,1329 486.34,1330 322,1331 154,1332 377.831,1333 164.103,1334 386.878,1335 566.62,1336 366,1337 7.398}
{0 CHEMBL299174,1 1.638,2 10.72,3 2.374,4 5.638,5 97.528,6 7.565,7 0.63,8 3.922,9 4.053,10 3.493,11 3.358,12 5.113,13 3.375,14 4.408,15 4.596,16 3.833,17 3.697,18 5.551,19 3.705,20 4.53,21 4.7,22 3.934,23 3.858,24 5.685,25 3.847,26 4.675,27 4.874,28 3.876,29 3.922,30 5.765,31 3.859,32 4.785,33 5.025,34 3.713,35 3.909,36 5.774,37 3.806,38 4.73,39 4.997,40 3.552,41 3.787,42 5.65,43 3.661,44 4.562,45 4.833,46 3.481,47 3.636,48 5.455,49 3.539,50 4.398,51 4.641,52 3.401,53 3.54,54 5.433,55 3.451,56 0.082,57 0.699,58 9.271,59 3.374,60 11.79,61 4.687,62 0.369,63 1.019,64 17.55,65 5.429,66 29.81,67 7.555,68 0.376,69 1.203,70 18.657,71 6.154,72 27.113,73 8.605,74 0.371,75 1.283,76 22.477,77 7.822,78 33.142,79 11.304,80 0.502,81 1.288,82 27.231,83 8.324,84 47.063,85 12.406,86 0.539,87 1.135,88 27.074,89 8.284,90 47.159,91 12.334,92 0.385,93 0.966,94 23.15,95 6.856,96 32.082,97 10.412,98 0.331,99 0.889,100 18.261,101 5.46,102 33.741,103 8.299,104 30,105 38,106 0.283,107 0.626,108 0.772,109 0.839,110 0.847,111 0.87,112 3.267,113 0.848,114 -2.85,115 -2.85,116 -2.76,119 37.8,124 3,125 1,139 5,141 3,143 3,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 6,172 3,173 3,178 1,181 4,182 7,184 1,185 1,189 1,192 1,193 3,195 1,196 1,197 1,198 2,200 2,204 2,205 1,206 1,207 2,209 1,210 1,212 2,215 1,218 2,220 3,221 3,223 1,224 1,229 3,234 1,241 2,245 1,246 3,248 1,249 1,251 1,256 1,259 2,260 5,262 1,263 1,265 2,270 2,273 847,274 16.773,275 16.773,276 16.773,277 16.773,278 16.773,279 14.737,280 23.409,281 9.663,282 17.454,283 13.181,284 13.181,285 13.181,286 13.181,287 13.181,288 9.975,289 31.426,290 4.416,291 14.108,292 3.854,293 1.867,294 1.019,295 0.628,296 0.584,297 0.45,298 3.946,300 1,301 1,302 1,303 567,304 3.162,307 216.33,311 112.967,314 1.514,315 21.775,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 55,327 268,328 4.543,329 3.306,330 6.507,331 4.043,332 3.091,333 4.491,334 0.916,335 10.194,336 2.941,337 4.333,338 3.119,339 6.462,340 3.958,341 3.01,342 3.952,343 0.86,344 9.998,345 2.85,346 3.801,347 2.817,348 5.463,349 3.428,350 2.486,351 3.245,352 0.86,353 7.253,354 2.343,355 3.608,356 2.597,357 5.258,358 3.21,359 2.281,360 2.93,361 0.172,362 6.634,363 2.115,364 3.428,365 2.304,366 5.063,367 2.972,368 2.048,369 2.811,371 5.826,372 1.887,373 3.374,374 2.141,375 4.992,376 2.918,377 1.977,378 2.693,380 5.787,381 1.856,382 3.039,383 2.014,384 4.8,385 2.7,386 1.784,387 2.173,389 5.018,390 1.625,391 2.529,392 1.428,393 3.903,394 2.158,395 1.199,396 1.537,398 3.02,399 1.146,400 2.445,401 1.058,402 3.708,403 1.952,404 1.006,405 1.423,407 2.565,408 0.949,409 1.683,410 1.009,411 3.03,412 1.383,413 0.499,414 0.568,415 0.885,416 0.436,417 1.592,418 0.938,419 2.779,420 1.32,421 0.464,422 0.512,423 0.673,424 0.394,425 1.468,426 0.407,427 2.771,428 1.09,429 0.159,430 0.198,431 0.369,432 0.148,433 0.987,434 -0.055,435 2.619,436 0.558,437 -0.365,438 -0.444,439 -0.828,440 -0.334,441 0.84,442 -0.221,443 2.486,444 0.455,445 -0.462,446 -0.579,448 -1.11,449 -0.421,450 0.689,451 -0.309,452 2.211,453 0.36,454 -0.561,455 -0.649,457 -1.318,458 -0.513,459 11.567,460 0.463,461 0.66,462 0.026,463 35.75,464 1.43,465 18.5,466 0.74,467 17.25,468 0.69,469 17.394,470 0.696,471 27.433,472 0.61,473 26.824,474 1.073,475 7.385,476 0.295,477 4.627,478 0.185,479 0.199,481 0.38,485 1.037,486 1.495,487 0.802,488 1.181,489 1.204,490 0.97,491 1.255,492 0.916,493 0.763,494 0.728,495 0.729,496 0.674,497 1.061,498 1.099,499 1,500 1.046,501 0.924,502 1.013,503 0.777,504 1.305,505 1.024,506 1.31,507 0.693,508 1.232,509 1.056,510 1.042,511 1.179,512 1.131,513 1.095,514 1.174,515 0.937,516 0.816,517 1.055,518 0.997,519 0.948,520 1.051,521 1.017,522 0.888,523 0.859,524 0.84,525 0.728,526 0.832,527 0.917,528 0.993,529 1.105,530 1.088,531 1.178,532 1.114,533 6,534 0.169,535 2.889,536 2.125,537 1.911,538 0.847,539 0.465,540 0.342,541 0.316,542 0.153,543 6859,544 19985,545 2.015,546 44.4,548 16,551 4,555 1.679,556 1.852,557 3.377,558 1.815,559 1,560 1,564 73.698,565 1.638,566 3.625,567 4.472,568 4.864,569 4.908,570 5.042,571 2.835,572 4.404,573 4.617,574 3.498,575 1049.35,576 7.978,577 12653.2,579 1,581 1,582 247.133,583 1.516,584 4.555,585 0.222,586 0.011,587 0.076,588 0.052,589 0.052,590 0.028,591 0.019,592 0.014,593 0.014,594 0.007,595 0.495,596 0.17,597 1,598 0.942,599 120.619,600 -0.129,601 -0.244,602 0.04,603 -0.103,604 -0.25,605 -0.006,606 -0.07,607 0.18,608 0.189,609 0.27,610 0.161,611 0.269,612 -0.045,613 0.086,614 -0.104,615 -0.036,616 -0.053,617 -0.077,618 0.074,619 -0.236,620 -0.116,621 -0.265,622 0.109,623 -0.234,624 -0.12,625 -0.066,626 -0.214,627 -0.14,628 -0.169,629 -0.189,630 0.002,631 0.081,632 -0.056,633 -0.013,634 -0.071,635 -0.045,636 -0.073,637 -0.02,638 0.153,639 0.154,640 0.06,641 0.189,642 -0.047,643 0.011,644 -0.146,645 -0.113,646 -0.17,647 -0.137,648 1.528,649 1.953,650 0.64,651 20.506,652 1.01,653 1.14,654 1.615,655 2.609,656 0.651,657 3.332,658 3.664,659 3.932,660 4.19,661 4.407,662 4.431,663 4.477,664 4.489,665 4.635,666 4.585,667 6.119,668 0.628,669 340.43,670 3.332,671 4.875,672 5.727,673 6.611,674 7.478,675 8.364,676 9.237,677 10.123,678 10.998,679 11.883,680 13.3,684 2,686 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,714 1,716 2,718 45,719 17,720 1,721 27,723 47,724 17,725 13,726 3,727 3,729 3,730 4,741 13,742 4,753 1,754 1,757 20,758 8,759 4,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 3,810 25,811 2,816 1,818 2,821 1,829 4.4,834 2,836 13.5,837 8.967,838 5.611,839 2.268,840 3.355,841 1.469,842 0.977,843 4.992,844 10.5,845 3.597,846 4.248,847 4.866,848 5.469,849 6.05,850 6.296,851 6.6,852 6.907,853 7.327,854 7.377,855 1,856 41,857 9.135,859 3.745,860 7.773,861 17.178,863 13.386,865 2.273,866 56.833,869 1,870 188.338,871 104.165,872 119.275,874 22,877 104.165,878 210.337,879 119.275,880 30.162,881 2.106,882 113.176,883 50.357,884 45.413,885 4.227,886 188.338,888 188.338,889 223.44,890 22,893 188.338,894 22,897 11.05,898 162.034,899 50.357,901 188.338,902 141.275,903 104.165,906 188.338,907 26.621,908 80.668,910 138.151,911 188.338,912 141.275,913 104.165,915 0.581,916 0.351,917 0.193,918 0.105,919 18,920 9,921 0.106,922 5,923 1,924 1.125,925 3.614,926 204.421,927 0.125,928 16,929 116.096,933 17.359,934 7.19,935 3.636,936 1.167,937 141.275,938 9.397,939 12.657,943 3.618,945 65.794,946 433.778,947 35.5,956 45.451,957 51.315,958 0.298,959 0.66,960 0.814,961 0.886,962 0.894,963 0.918,964 4.83,965 1.199,966 5.727,967 5.018,968 4.344,969 4.934,970 1.698,971 6.547,972 4.219,973 6.06,974 1.006,975 7.296,976 3.02,977 4.007,978 4.856,979 0.325,980 7.455,981 3.824,982 7.383,983 0.499,984 8.96,985 2.565,986 5.953,987 7.213,988 1.422,989 10.536,990 5.722,991 8.742,992 0.464,993 10.677,994 0.885,995 6.382,996 7.913,997 0.393,998 12.229,999 6.089,1000 10.128,1001 0.159,1002 12.428,1003 0.673,1004 7.827,1005 9.779,1006 1.2,1007 14.84,1008 7.497,1009 11.535,1010 -0.365,1011 14.203,1012 0.369,1013 8.616,1014 10.862,1015 0.384,1016 16.88,1017 8.225,1018 12.958,1019 -0.462,1020 15.995,1021 -0.828,1022 9.86,1023 12.518,1024 1.01,1025 19.315,1026 9.433,1027 3.091,1028 -0.561,1029 17.802,1030 -1.11,1031 10.823,1032 13.802,1033 0.351,1034 21.51,1035 10.337,1036 3.01,1037 10.194,1038 19.62,1039 -1.318,1040 11.986,1041 15.362,1042 0.845,1043 23.874,1044 11.46,1045 2.486,1046 9.998,1047 21.447,1048 4.491,1049 13.031,1050 16.749,1051 0.312,1052 26.135,1053 12.449,1054 2.281,1055 7.253,1056 23.282,1057 3.952,1058 14.163,1059 18.267,1060 0.702,1061 28.47,1062 13.537,1063 2.048,1064 6.634,1065 25.123,1066 3.245,1067 15.246,1068 19.706,1069 0.273,1070 30.76,1071 14.566,1072 1.977,1073 5.826,1074 26.97,1075 2.93,1076 16.366,1077 21.206,1078 0.579,1079 33.083,1080 15.64,1081 1.784,1082 5.787,1083 28.82,1084 2.811,1085 17.467,1086 22.671,1087 0.236,1088 35.386,1089 16.689,1090 6762,1091 11668,1092 17.512,1093 29.273,1094 40.131,1095 40.836,1096 42.078,1097 39.952,1098 40.006,1099 53.066,1100 5.618,1101 116.444,1102 37.379,1103 5.379,1104 5.306,1105 6.065,1106 5.115,1107 5.091,1108 7.491,1109 1.776,1110 17.088,1111 4.941,1112 14.29,1113 1.486,1114 1.512,1115 1.558,1116 1.48,1117 1.482,1118 1.965,1119 0.208,1120 4.313,1121 1.384,1122 4.058,1123 4.101,1124 4.032,1125 3.928,1126 5.323,1127 3.948,1128 3.923,1129 3.947,1130 3.88,1131 3.82,1132 4.989,1133 3.831,1134 3.556,1135 3.622,1136 3.478,1137 3.362,1138 4.925,1139 3.383,1140 3.348,1141 3.419,1142 3.232,1143 3.113,1144 4.772,1145 3.13,1146 3.271,1147 3.337,1148 3.094,1149 2.978,1150 4.579,1151 2.992,1152 3.154,1153 3.241,1154 3.007,1155 2.898,1156 4.306,1157 2.894,1158 3.114,1159 3.229,1160 2.928,1161 2.82,1162 4.186,1163 2.852,1164 2.915,1165 3.018,1166 2.72,1167 2.701,1168 3.965,1169 2.693,1170 0.168,1171 0.122,1172 0.241,1173 0.15,1174 0.114,1175 4.543,1176 0.166,1177 3.306,1178 0.034,1179 6.507,1180 0.378,1181 4.043,1182 0.109,1183 3.091,1184 4.491,1185 0.916,1186 10.194,1187 2.941,1188 1.973,1189 1.938,1190 2.039,1191 2.124,1192 1.166,1193 2.1,1194 1.876,1195 1.856,1196 1.961,1197 2.005,1198 1.052,1199 1.992,1200 1.491,1201 1.428,1202 1.692,1203 1.725,1204 0.805,1205 1.717,1206 1.283,1207 1.212,1208 1.587,1209 1.565,1210 0.584,1211 1.567,1212 1.21,1213 1.136,1214 1.54,1215 1.529,1216 0.561,1217 1.539,1218 1.139,1219 1.049,1220 1.511,1221 1.426,1222 0.54,1223 1.465,1224 1.008,1225 0.911,1226 1.291,1227 1.383,1228 0.311,1229 1.364,1230 0.92,1231 0.819,1232 1.267,1233 1.189,1234 0.164,1235 1.23,1236 4.007,1238 5.333,1240 6.862,1242 8.486,1244 10.16,1246 5.207,1250 11.517,1252 0.558,1254 10.685,1257 2.029,1262 28.246,1263 73.698,1264 163.105,1265 201.259,1266 218.869,1267 220.869,1268 226.869,1269 35.293,1270 7.145,1271 112.41,1272 112.41,1273 18,1274 12.417,1275 4.17,1276 3.248,1277 41.857,1278 93,1279 91,1280 0.225,1281 176.999,1282 295.34,1283 423.638,1284 11576,1286 17.974,1287 0.719,1288 0.574,1289 17.974,1290 14.354,1291 12.012,1292 0.445,1293 0.283,1294 7.452,1295 11.336,1296 7.181,1297 6.037,1298 12.012,1299 7.633,1300 10.789,1301 0.284,1302 0.146,1303 10.789,1304 5.531,1305 9.054,1306 0.181,1307 0.077,1308 9.054,1309 3.842,1310 7.66,1311 0.118,1312 0.04,1313 7.66,1314 2.612,1315 6.063,1316 0.075,1317 0.021,1318 6.063,1319 1.703,1320 0.352,1321 76.762,1322 0.239,1323 24.202,1324 0.617,1325 130,1326 410.676,1327 146.276,1328 394.133,1329 543.44,1330 370,1331 153,1332 406.697,1333 169.638,1334 414.962,1335 601.69,1336 385,1337 7.796}
{0 CHEMBL299927,1 1.622,2 10.75,3 1.737,4 3.019,5 111.534,6 7.158,7 0.387,8 4.11,9 4.243,10 3.64,11 3.52,12 5.204,13 3.531,14 4.67,15 4.86,16 4.011,17 3.939,18 5.684,19 3.927,20 4.889,21 5.078,22 4.177,23 4.174,24 5.852,25 4.135,26 5.069,27 5.281,28 4.2,29 4.267,30 6.057,31 4.189,32 5.186,33 5.432,34 4.041,35 4.239,36 6.083,37 4.139,38 5.111,39 5.375,40 3.812,41 4.104,42 5.967,43 3.976,44 4.972,45 5.26,46 3.657,47 3.951,48 5.719,49 3.808,50 4.815,51 5.092,52 3.591,53 3.806,54 5.652,55 3.676,56 0.091,57 0.818,58 12.409,59 4.27,60 13.525,61 6.252,62 0.473,63 1.265,64 24.019,65 7.56,66 36.81,67 10.781,68 0.498,69 1.606,70 29.146,71 9.382,72 31.193,73 14.238,74 0.64,75 1.79,76 35.627,77 11.836,78 50.643,79 17.614,80 0.792,81 1.783,82 42.449,83 11.322,84 64.217,85 18.065,86 0.829,87 1.551,88 40.229,89 10.707,90 66.553,91 16.79,92 0.581,93 1.285,94 35.424,95 10.209,96 46.118,97 15.969,98 0.572,99 1.11,100 30.123,101 8.827,102 46.167,103 13.632,104 35,105 45,106 0.271,107 0.587,108 0.741,109 0.798,110 0.806,111 0.832,112 3.375,113 0.897,114 -3.03,115 -3.03,116 -2.92,119 35.2,121 1,122 2,124 3,125 3,139 2,140 1,141 4,144 2,147 1,157 2,158 2,159 2,166 3,169 1,170 8,172 3,173 4,175 3,178 4,180 1,181 2,182 5,187 2,191 1,192 3,193 7,195 1,196 3,197 3,198 4,200 4,201 4,204 3,205 1,206 1,212 1,215 2,218 1,220 2,221 4,223 1,224 1,226 4,229 2,231 2,234 4,246 7,248 1,249 3,251 2,256 2,260 1,263 1,273 1082,274 19.143,275 19.143,276 19.143,277 19.143,278 19.143,279 17.639,280 35.248,281 10.869,282 19.988,283 15.101,284 15.101,285 15.101,286 15.101,287 15.101,288 12.576,289 58.273,290 4.857,291 16.192,292 4.133,293 2.247,294 1.325,295 0.987,296 0.936,297 0.783,298 4.071,301 1,302 1,303 649,304 2.915,307 257.696,311 195.863,314 1.714,315 27.091,318 1,319 0.83,320 1,321 1,322 1,323 1,324 1,325 0.98,326 62,327 301,328 4.509,329 3.454,330 6.891,331 4.227,332 3.253,333 4.138,334 0.86,335 11.527,336 3.172,337 4.44,338 3.382,339 6.555,340 4.039,341 3.094,342 4.118,343 0.86,344 10.388,345 2.917,346 3.908,347 3.011,348 6.126,349 3.673,350 2.737,351 3.128,352 0.86,353 8.979,354 2.561,355 3.661,356 2.569,357 5.797,358 3.373,359 2.431,360 2.937,361 0.8,362 7.862,363 2.285,364 3.355,365 2.555,366 5.19,367 2.978,368 2.061,369 2.604,370 0.4,371 6.118,372 1.907,373 3.325,374 2.235,375 5.102,376 2.972,377 2.043,378 2.563,380 5.935,381 1.867,382 3.262,383 2.121,384 5.01,385 2.903,386 1.976,387 2.42,389 5.799,390 1.824,391 2.645,392 1.993,393 4.489,394 2.502,395 1.538,396 1.66,398 4.226,399 1.48,400 2.562,401 1.684,402 4.373,403 2.371,404 1.437,405 1.565,407 4.095,408 1.337,409 2.131,410 1.543,411 3.702,412 1.911,413 1.072,414 1.115,415 2.217,416 0.893,417 1.832,418 1.002,419 3.45,420 1.713,421 0.768,422 0.803,423 1.887,424 0.723,425 1.576,426 0.938,427 2.904,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.404,434 0.916,435 2.859,436 1.159,437 0.318,438 0.338,439 0.414,440 0.265,441 1.262,442 0.311,443 2.705,444 0.984,445 0.055,446 0.062,448 0.137,449 0.051,450 0.912,451 0.106,452 2.658,453 0.593,454 -0.35,455 -0.399,457 -0.735,458 -0.326,459 12.9,460 0.461,461 0.708,462 0.025,463 35.25,464 1.259,465 15.5,466 0.554,467 19.75,468 0.705,469 25.546,470 0.912,471 32.1,472 0.594,473 26.867,474 0.96,475 6.907,476 0.247,477 6.642,478 0.237,479 0.178,481 0.419,485 1.025,486 1.546,487 0.842,488 1.261,489 1.103,490 1.035,491 1.212,492 0.894,493 0.851,494 0.818,495 0.74,496 0.783,497 0.807,498 1.273,499 0.917,500 1.13,501 0.715,502 1.045,503 0.652,504 1.181,505 1.003,506 1.293,507 0.657,508 1.23,509 1.244,510 1.092,511 1.205,512 1.08,513 1.306,514 1.126,515 1.267,516 0.86,517 1.247,518 1.003,519 1.316,520 1.105,521 0.97,522 0.865,523 0.916,524 0.915,525 0.86,526 0.916,527 0.9,528 0.894,529 0.886,530 0.95,531 0.848,532 0.938,533 6,534 0.206,535 3.556,536 2.563,537 2.627,538 1.042,539 0.664,540 0.436,541 0.282,542 0.294,543 9171,544 24799,545 2.072,546 48.1,547 1,548 17,551 5,553 2,554 1,555 1.711,556 1.909,557 3.369,558 2.538,559 1,560 1,564 87.577,565 1.622,566 3.508,567 4.43,568 4.768,569 4.819,570 4.972,571 2.914,572 4.379,573 4.78,574 3.519,575 1330.33,576 8.314,577 16952.2,579 1,581 1,582 310.764,583 1.497,584 4.723,585 0.194,586 0.01,587 0.079,588 0.049,589 0.053,590 0.025,591 0.021,592 0.016,593 0.011,594 0.013,595 0.47,596 0.17,597 1,598 0.961,599 138.934,600 -0.113,601 -0.214,602 0.056,603 -0.093,604 -0.123,605 0.01,606 -0.076,607 0.246,608 0.118,609 0.242,610 0.147,611 0.213,612 0.059,613 -0.097,614 0.006,615 -0.031,616 0.044,617 -0.015,618 0.171,619 -0.066,620 -0.075,621 -0.223,622 0.152,623 -0.206,624 -0.206,625 -0.096,626 -0.221,627 -0.108,628 -0.277,629 -0.159,630 -0.207,631 0.085,632 -0.249,633 -0.061,634 -0.299,635 -0.149,636 -0.061,637 -0.016,638 0.072,639 0.063,640 -0.051,641 0.089,642 0.058,643 -0.034,644 0.105,645 0.036,646 0.068,647 0.066,648 1.461,649 2.171,650 0.714,651 24.878,652 1.008,653 1.144,654 1.805,655 3.256,656 0.63,657 3.466,658 3.829,659 4.174,660 4.5,661 4.771,662 4.89,663 5.063,664 5.215,665 5.403,666 5.513,667 6.241,668 0.603,669 386.51,670 3.466,671 5.03,672 5.916,673 6.828,674 7.729,675 8.644,676 9.55,677 10.466,678 11.374,679 12.29,680 11.1,684 2,685 1,686 1,690 2,695 2,696 2,700 8,702 12,711 2,712 1,714 1,716 3,718 54,719 12,720 1,721 31,723 57,724 19,725 10,726 4,727 2,729 4,730 7,736 1,737 2,739 1,741 10,742 9,743 2,754 1,757 26,758 9,759 5,760 9,764 6,769 0.5,770 3,776 1,781 4,785 2,802 2,806 3,810 28,811 2,816 4,817 1,818 3,820 2,821 1,829 5.6,834 3,836 14.667,837 10.35,838 6.278,839 2.957,840 2.304,841 1.288,842 0.974,843 5.401,844 10.293,845 3.638,846 4.234,847 4.816,848 5.369,849 5.86,850 6.065,851 6.264,852 6.47,853 6.787,854 7.09,855 1,856 52,857 10.317,859 4.371,860 7.679,861 19.828,863 16.448,865 2.179,866 61,870 247.193,871 88.681,872 120.5,874 33,877 88.681,878 280.193,879 120.5,880 32.649,881 8.852,882 84.747,883 51.582,884 57.797,885 6.555,886 247.193,888 247.193,889 209.181,890 33,893 211.88,894 68.313,897 10.751,898 146.849,899 51.582,901 247.193,902 153.5,903 88.681,906 247.193,907 37.079,908 54.726,909 18.011,910 132.365,911 247.193,912 153.5,913 88.681,915 0.583,916 0.369,917 0.216,918 0.118,919 23,920 11,921 0.07,922 4,923 2,924 1.2,925 3.797,926 256.847,927 0.2,928 20,929 126.606,933 19.359,934 7.811,935 3.459,937 153.5,938 3.98,939 8.486,943 5.392,945 83.805,946 489.374,947 37,956 54.429,957 61.77,958 0.282,959 0.61,960 0.77,961 0.829,962 0.837,963 0.864,964 4.92,965 1.538,966 5.927,967 5.799,968 4.511,969 4.92,970 1.905,971 6.806,972 4.388,973 6.124,974 1.437,975 7.529,976 4.226,977 4.205,978 4.844,979 0.325,980 7.828,981 4.048,982 7.449,983 1.072,984 9.228,985 4.095,986 6.172,987 7.096,988 1.567,989 10.955,990 5.959,991 8.807,992 0.768,993 10.982,994 2.217,995 6.661,996 7.802,997 0.268,998 12.778,999 6.417,1000 10.196,1001 0.396,1002 12.772,1003 1.887,1004 8.116,1005 9.579,1006 1.31,1007 15.435,1008 7.833,1009 11.606,1010 0.318,1011 14.586,1012 0.603,1013 8.971,1014 10.644,1015 0.188,1016 17.598,1017 8.657,1018 13.033,1019 0.055,1020 16.418,1021 0.414,1022 10.232,1023 12.231,1024 1.087,1025 20.095,1026 9.886,1027 3.253,1028 -0.35,1029 18.264,1030 0.137,1031 11.254,1032 13.471,1033 0.125,1034 22.403,1035 10.879,1036 3.094,1037 11.527,1038 20.121,1039 -0.735,1040 12.443,1041 14.972,1042 0.89,1043 24.845,1044 12.039,1045 2.737,1046 10.388,1047 21.987,1048 4.138,1049 13.539,1050 16.299,1051 0.082,1052 27.216,1053 13.107,1054 2.431,1055 8.979,1056 23.861,1057 4.118,1058 14.704,1059 17.76,1060 0.718,1061 29.642,1062 14.245,1063 2.061,1064 7.862,1065 25.741,1066 3.128,1067 15.834,1068 19.131,1069 0.054,1070 32.043,1071 15.348,1072 2.043,1073 6.118,1074 27.625,1075 2.937,1076 16.992,1077 20.571,1078 0.571,1079 34.466,1080 16.48,1081 1.976,1082 5.935,1083 29.515,1084 2.604,1085 18.138,1086 21.964,1087 0.035,1088 36.882,1089 17.6,1090 8855,1091 14651,1092 20.403,1093 34.012,1094 46.324,1095 47.622,1096 49.499,1097 46.225,1098 46.359,1099 55.809,1100 7.56,1101 140.374,1102 43.253,1103 5.509,1104 5.454,1105 6.433,1106 5.302,1107 5.253,1108 7.138,1109 1.72,1110 18.812,1111 5.172,1112 15.527,1113 1.494,1114 1.536,1115 1.597,1116 1.491,1117 1.495,1118 1.8,1119 0.244,1120 4.528,1121 1.395,1122 4.052,1123 4.098,1124 3.997,1125 3.925,1126 5.287,1127 3.936,1128 3.909,1129 3.93,1130 3.878,1131 3.792,1132 4.979,1133 3.808,1134 3.656,1135 3.718,1136 3.575,1137 3.459,1138 4.973,1139 3.482,1140 3.35,1141 3.436,1142 3.212,1143 3.137,1144 4.58,1145 3.135,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.544,1151 3.026,1152 3.245,1153 3.315,1154 3.081,1155 2.999,1156 4.465,1157 3.012,1158 3.193,1159 3.275,1160 2.983,1161 2.896,1162 4.309,1163 2.896,1164 3.09,1165 3.204,1166 2.918,1167 2.817,1168 4.064,1169 2.828,1170 0.145,1171 0.111,1172 0.222,1173 0.136,1174 0.105,1175 4.509,1176 0.133,1177 3.454,1178 0.028,1179 6.891,1180 0.372,1181 4.227,1182 0.102,1183 3.253,1184 4.138,1185 0.86,1186 11.527,1187 3.172,1188 1.98,1189 1.94,1190 2.11,1191 2.132,1192 1.497,1193 2.126,1194 1.85,1195 1.833,1196 1.925,1197 1.994,1198 1.08,1199 1.97,1200 1.58,1201 1.522,1202 1.712,1203 1.812,1204 0.933,1205 1.791,1206 1.321,1207 1.24,1208 1.604,1209 1.576,1210 0.788,1211 1.587,1212 1.227,1213 1.163,1214 1.59,1215 1.558,1216 0.584,1217 1.565,1218 1.198,1219 1.127,1220 1.571,1221 1.511,1222 0.574,1223 1.531,1224 1.157,1225 1.069,1226 1.533,1227 1.453,1228 0.561,1229 1.481,1230 1.021,1231 0.924,1232 1.322,1233 1.371,1234 0.478,1235 1.361,1236 4.143,1238 5.493,1240 7.062,1242 8.735,1244 10.462,1246 4.865,1250 11.914,1252 3.518,1253 3.372,1254 16.434,1256 0.699,1257 2.34,1262 32.541,1263 87.577,1264 189.424,1265 239.215,1266 257.48,1267 260.235,1268 268.499,1269 43.766,1270 7.989,1271 120.78,1272 120.78,1273 24,1274 12.803,1275 3.7,1276 2.807,1277 42.447,1278 107,1279 100,1280 0.202,1281 198.641,1282 342.55,1283 476.445,1284 31424,1286 19.836,1287 0.708,1288 0.584,1289 19.836,1290 16.359,1291 13.55,1292 0.437,1293 0.299,1294 9.047,1295 12.731,1296 8.786,1297 7.287,1298 13.55,1299 9.27,1300 12.106,1301 0.269,1302 0.158,1303 12.106,1304 7.095,1305 10.774,1306 0.168,1307 0.088,1308 10.774,1309 5.644,1310 9.726,1311 0.109,1312 0.049,1313 9.726,1314 4.336,1315 8.01,1316 0.068,1317 0.028,1318 8.01,1319 3.245,1320 0.313,1321 87.066,1322 0.221,1323 26.318,1324 0.566,1325 152,1326 451.099,1327 171.21,1328 423.685,1329 586.66,1330 400,1331 185,1332 438.467,1333 205.181,1334 443.915,1335 652.56,1336 413,1337 6.796}
{0 CHEMBL300419,1 1.639,2 11.37,3 2.702,4 7.301,5 104.119,6 7.56,7 0.429,8 3.981,9 4.098,10 3.524,11 3.436,12 5.225,13 3.444,14 4.458,15 4.63,16 3.823,17 3.768,18 5.715,19 3.747,20 4.61,21 4.779,22 3.892,23 3.906,24 5.787,25 3.87,26 4.707,27 4.904,28 3.862,29 3.94,30 5.865,31 3.882,32 4.735,33 4.932,34 3.784,35 3.94,36 5.868,37 3.866,38 4.688,39 4.905,40 3.733,41 3.899,42 5.741,43 3.81,44 4.705,45 4.937,46 3.77,47 3.847,48 5.74,49 3.766,50 4.676,51 4.891,52 3.741,53 3.793,54 5.797,55 3.723,56 0.122,57 0.693,58 9.942,59 4.122,60 20.02,61 5.258,62 0.453,63 1.007,64 18.379,65 6.945,66 60.624,67 8.983,68 0.426,69 1.171,70 21.04,71 7.712,72 54.512,73 10.307,74 0.432,75 1.241,76 24.025,77 8.615,78 65.385,79 11.633,80 0.51,81 1.23,82 25.335,83 8.837,84 68.75,85 11.86,86 0.35,87 1.205,88 23.819,89 8.576,90 50.929,91 12.082,92 0.482,93 1.155,94 25.416,95 8.758,96 52.919,97 12.541,98 0.511,99 1.112,100 24.44,101 8.093,102 53.509,103 11.397,104 51,105 37,106 0.279,107 0.677,108 0.824,109 0.852,110 0.859,111 0.88,112 3.339,113 0.886,114 -3.62,115 -3.59,116 -3.42,119 38.8,121 4,124 2,138 2,139 2,140 3,141 2,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 10,167 1,169 1,170 5,172 3,173 4,175 2,178 10,179 1,180 1,181 1,182 8,187 2,189 9,190 1,191 1,193 8,195 1,196 1,197 1,198 3,200 2,201 7,202 1,204 2,205 1,207 9,212 4,215 6,216 1,218 3,221 6,226 3,229 5,230 1,231 2,233 2,234 5,236 1,237 1,239 4,241 4,242 1,243 3,245 2,246 4,247 1,248 1,249 1,251 3,254 3,255 1,256 2,259 1,260 3,261 1,262 1,263 2,265 3,268 1,269 2,270 2,273 1254,274 17.947,275 17.947,276 17.947,277 17.947,278 17.947,279 15.888,280 24.142,281 10.77,282 18.47,283 13.697,284 13.697,285 13.697,286 13.697,287 13.697,288 10.477,289 29.447,290 4.967,291 14.349,292 3.976,293 1.634,294 0.766,295 0.602,296 0.561,297 0.439,298 4.003,300 1,301 1,302 1,303 620,304 3.808,307 199.188,314 1.819,315 32.951,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 60,327 307,328 4.471,329 3.596,330 6.528,331 4.042,332 3.076,333 4.158,334 2.341,335 10.289,336 2.973,337 4.233,338 3.416,339 6.088,340 3.812,341 2.856,342 3.878,343 0.86,344 8.842,345 2.734,346 3.833,347 3.08,348 5.281,349 3.246,350 2.28,351 2.988,352 0.86,353 6.715,354 2.226,355 3.591,356 2.682,357 5.209,358 3.231,359 2.237,360 2.871,361 0.68,362 6.231,363 2.177,364 3.545,365 2.537,366 4.921,367 3.058,368 2.097,369 2.707,371 5.65,372 2.004,373 3.362,374 2.326,375 4.659,376 2.939,377 1.999,378 2.661,380 5.182,381 1.868,382 3.133,383 2.18,384 4.148,385 2.558,386 1.573,387 2.059,389 3.675,390 1.544,391 2.823,392 1.891,393 3.879,394 2.352,395 1.421,396 1.952,398 3.305,399 1.32,400 2.319,401 1.543,402 3.541,403 2.01,404 1.116,405 1.212,407 2.41,408 0.986,409 2.076,410 1.206,411 3.035,412 1.662,413 0.692,414 0.886,415 1.432,416 0.666,417 1.611,418 0.988,419 2.934,420 1.322,421 0.414,422 0.474,423 0.843,424 0.37,425 1.465,426 0.627,427 2.678,428 1.181,429 0.294,430 0.335,431 0.458,432 0.26,433 1.174,434 0.573,435 2.411,436 0.909,437 -0.07,438 -0.08,439 -0.14,440 -0.067,441 0.972,442 0.4,443 2.359,444 0.626,445 -0.317,446 -0.385,448 -0.669,449 -0.296,450 0.799,451 0.047,452 2.304,453 0.393,454 -0.514,455 -0.621,457 -1.242,458 -0.466,459 12.433,460 0.46,461 0.647,462 0.024,463 34.5,464 1.278,465 17.5,466 0.648,467 17,468 0.63,469 21.554,470 0.798,471 30.167,472 0.616,473 27.445,474 1.016,475 7.122,476 0.264,477 5.817,478 0.215,479 0.198,481 0.322,485 0.96,486 1.264,487 0.834,488 1.106,489 0.915,490 0.955,491 0.857,492 0.828,493 0.788,494 0.881,495 0.506,496 0.841,497 0.957,498 1.163,499 0.986,500 1.099,501 1.007,502 1.056,503 0.951,504 1.005,505 1.027,506 1.096,507 0.882,508 1.079,509 1.167,510 1.048,511 1.156,512 1.074,513 0.917,514 1.115,515 0.776,516 1.15,517 1.023,518 1.188,519 0.573,520 1.161,521 0.672,522 1.065,523 0.804,524 1.054,525 0.406,526 0.986,527 0.899,528 1.156,529 0.963,530 1.15,531 0.626,532 1.096,533 6,534 0.14,535 2.667,536 1.938,537 1.618,538 0.729,539 0.649,540 0.464,541 0.32,542 0.307,543 8080,544 27553,545 1.933,546 44.9,547 6,548 8,550 1,551 5,552 2,555 1.704,556 1.78,557 3.45,558 2.547,559 1,560 1,564 80.303,565 1.639,566 3.981,567 4.849,568 5.012,569 5.053,570 5.176,571 2.936,572 4.459,573 4.718,574 3.64,575 1277.61,576 8.213,577 16901.6,579 1,581 1,582 275.121,583 1.51,584 4.664,585 0.214,586 0.007,587 0.072,588 0.05,589 0.044,590 0.021,591 0.02,592 0.014,593 0.01,594 0.012,595 0.465,596 0.17,597 1,598 1.891,599 135.044,600 -0.136,601 -0.026,602 -0.003,603 0.005,604 -0.151,605 0.035,606 0.099,607 0.254,608 0.131,609 0.175,610 0.212,611 0.153,612 -0.057,613 -0.068,614 -0.084,615 -0.042,616 -0.145,617 -0.062,618 -0.093,619 0.049,620 -0.105,621 -0.063,622 -0.093,623 -0.081,624 -0.21,625 -0.04,626 -0.215,627 -0.039,628 -0.139,629 -0.117,630 -0.066,631 -0.124,632 -0.109,633 -0.148,634 -0.04,635 -0.137,636 0.13,637 -0.116,638 0.154,639 -0.029,640 0.13,641 0.044,642 0.049,643 -0.189,644 0.005,645 -0.145,646 0.071,647 -0.098,648 2.499,649 3.57,650 0.444,651 29.16,652 1.014,653 1.134,654 2.386,655 5.694,656 0.647,657 3.367,658 3.638,659 3.829,660 4.043,661 4.22,662 4.234,663 4.304,664 4.394,665 4.454,666 4.431,667 6.744,668 0.626,669 370.45,670 3.367,671 4.875,672 5.687,673 6.541,674 7.377,675 8.239,676 9.087,677 9.954,678 10.81,679 11.679,680 8.2,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 2,718 49,719 14,720 1,721 28,723 50,724 19,725 10,726 4,727 2,729 2,730 2,739 4,740 2,741 11,742 6,744 1,748 1,751 1,753 1,754 1,757 22,758 8,759 5,760 8,764 4,769 1,770 4,776 1,781 2,788 2,792 1,800 1,802 2,806 2,810 27,811 2,815 1,816 4,818 2,823 1,827 2,829 8.2,831 1,832 1,834 2,836 15.167,837 9.267,838 6.25,839 2.621,840 2.912,841 1.427,842 0.92,843 7.564,844 9.737,845 3.638,846 4.19,847 4.696,848 5.236,849 5.768,850 5.973,851 6.276,852 6.636,853 6.972,854 7.274,855 0.875,856 39,857 9.883,859 3.988,860 8.031,861 18.273,863 13.893,865 2.531,866 68.333,869 1,870 200.109,871 119.146,872 99.365,874 89.828,877 119.146,878 289.937,879 99.365,880 21.766,881 10.138,882 84.747,883 114.08,884 51.091,885 38.288,886 188.338,888 200.109,889 218.511,890 89.828,893 200.109,894 89.828,897 21.085,898 129.794,899 67.632,901 200.109,902 189.193,903 119.146,906 200.109,907 35.319,908 49.766,909 34.061,910 189.193,911 200.109,912 189.193,913 119.146,915 0.564,916 0.319,917 0.171,918 0.091,919 14,920 8,921 0.14,922 7,924 1,925 3.798,926 210.89,928 12,929 128.382,933 20.66,934 9.886,935 5.935,937 189.193,938 5.303,939 7.939,943 3.778,945 108.478,946 508.448,947 37,951 10.57,954 -0.832,956 49.669,957 55.568,958 0.292,959 0.709,960 0.864,961 0.893,962 0.9,963 0.922,964 4.86,965 1.421,966 5.659,967 3.675,968 4.317,969 4.875,970 2.599,971 6.422,972 4.234,973 6.076,974 1.116,975 7.192,976 3.305,977 3.892,978 4.677,979 2.243,980 7.261,981 3.775,982 7.386,983 0.692,984 8.824,985 2.41,986 5.861,987 7.044,988 3.696,989 10.321,990 5.711,991 8.727,992 0.414,993 10.514,994 1.432,995 6.217,996 7.609,997 4.112,998 11.981,999 6.021,1000 10.094,1001 0.294,1002 12.242,1003 0.843,1004 7.674,1005 9.484,1006 5.211,1007 14.573,1008 7.457,1009 11.48,1010 -0.07,1011 13.997,1012 0.458,1013 8.411,1014 10.432,1015 5.889,1016 16.594,1017 8.144,1018 12.881,1019 -0.317,1020 15.773,1021 -0.14,1022 9.656,1023 12.082,1024 6.85,1025 19.015,1026 9.369,1027 3.076,1028 -0.514,1029 17.564,1030 -0.669,1031 10.585,1032 13.24,1033 7.625,1034 21.198,1035 10.249,1036 2.856,1037 10.289,1038 19.368,1039 -1.242,1040 11.742,1041 14.775,1042 8.526,1043 23.555,1044 11.382,1045 2.28,1046 8.842,1047 21.182,1048 4.158,1049 12.764,1050 16.048,1051 9.342,1052 25.81,1053 12.359,1054 2.237,1055 6.715,1056 23.005,1057 3.878,1058 13.887,1059 17.523,1060 10.216,1061 28.143,1062 13.454,1063 2.097,1064 6.231,1065 24.835,1066 2.988,1067 14.953,1068 18.859,1069 11.051,1070 30.433,1071 14.479,1072 1.999,1073 5.65,1074 26.671,1075 2.871,1076 16.063,1077 20.303,1078 11.912,1079 32.757,1080 15.56,1081 1.573,1082 5.182,1083 28.512,1084 2.707,1085 17.151,1086 21.673,1087 12.755,1088 35.063,1089 16.61,1090 8323,1091 15460,1092 17.8,1093 31.693,1094 41.208,1095 41.986,1096 42.371,1097 40.029,1098 40.109,1099 52.363,1100 9.482,1101 110.068,1102 38.255,1103 5.262,1104 5.596,1105 6.297,1106 5.111,1107 5.076,1108 7.158,1109 3.925,1110 17.223,1111 4.973,1112 16.962,1113 1.472,1114 1.499,1115 1.513,1116 1.43,1117 1.432,1118 1.87,1119 0.339,1120 3.931,1121 1.366,1122 4.002,1123 4.026,1124 3.962,1125 3.927,1126 7.474,1127 3.932,1128 3.824,1129 3.867,1130 3.791,1131 3.673,1132 6.351,1133 3.695,1134 3.702,1135 3.741,1136 3.592,1137 3.559,1138 5.291,1139 3.558,1140 3.382,1141 3.4,1142 3.318,1143 3.224,1144 4.983,1145 3.24,1146 3.318,1147 3.376,1148 3.191,1149 3.073,1150 4.963,1151 3.095,1152 3.234,1153 3.3,1154 3.039,1155 2.933,1156 4.646,1157 2.943,1158 3.115,1159 3.215,1160 2.959,1161 2.851,1162 4.482,1163 2.862,1164 2.992,1165 3.092,1166 2.836,1167 2.728,1168 4.453,1169 2.743,1170 0.16,1171 0.128,1172 0.233,1173 0.144,1174 0.11,1175 4.471,1176 0.148,1177 3.596,1178 0.084,1179 6.528,1180 0.367,1181 4.042,1182 0.106,1183 3.076,1184 4.158,1185 2.341,1186 10.289,1187 2.973,1188 1.951,1189 1.936,1190 2.034,1191 2.052,1192 1.23,1193 2.044,1194 1.757,1195 1.716,1196 1.919,1197 1.932,1198 1.196,1199 1.914,1200 1.671,1201 1.628,1202 1.807,1203 1.853,1204 0.878,1205 1.856,1206 1.315,1207 1.292,1208 1.577,1209 1.542,1210 0.583,1211 1.55,1212 1.246,1213 1.186,1214 1.572,1215 1.537,1216 0.574,1217 1.545,1218 1.178,1219 1.101,1220 1.476,1221 1.493,1222 0.563,1223 1.486,1224 1.056,1225 0.973,1226 1.335,1227 1.38,1228 0.366,1229 1.373,1230 0.905,1231 0.836,1232 1.221,1233 1.259,1234 0.139,1235 1.265,1236 4.043,1238 5.323,1240 6.792,1242 8.361,1244 9.986,1246 3.089,1250 11.442,1251 8.683,1252 1.521,1254 10.83,1261 6.01,1262 30.686,1263 80.303,1264 195.063,1265 237.611,1266 245.611,1267 247.611,1268 253.611,1269 63.903,1270 6.825,1271 133.58,1272 133.58,1273 12,1274 12.226,1275 3.907,1276 3.322,1277 58.26,1278 106,1279 121,1280 0.265,1281 195.054,1282 346.14,1283 467.691,1284 7480,1286 19.811,1287 0.734,1288 0.566,1289 19.811,1290 15.282,1291 12.939,1292 0.462,1293 0.295,1294 8.103,1295 12.282,1296 7.856,1297 6.587,1298 12.939,1299 8.266,1300 11.261,1301 0.304,1302 0.155,1303 11.261,1304 5.743,1305 8.581,1306 0.191,1307 0.084,1308 8.581,1309 3.765,1310 6.99,1311 0.125,1312 0.045,1313 6.99,1314 2.492,1315 5.378,1316 0.08,1317 0.024,1318 5.378,1319 1.607,1320 0.417,1321 82.46,1322 0.237,1323 26.146,1324 0.725,1325 130,1326 459.271,1327 146.235,1328 437.461,1329 577.93,1330 406,1331 147,1332 405.729,1333 161.409,1334 413.582,1335 590.62,1336 383,1337 5.301}
{0 CHEMBL300603,1 1.712,2 10.043,3 3.736,4 13.958,5 94.211,6 9.439,7 0.68,8 3.74,9 3.867,10 3.496,11 3.3,12 4.957,13 3.294,14 4.206,15 4.374,16 3.911,17 3.677,18 5.428,19 3.654,20 4.415,21 4.587,22 4.103,23 3.832,24 5.653,25 3.776,26 4.463,27 4.673,28 3.799,29 3.761,30 5.58,31 3.668,32 4.465,33 4.708,34 3.657,35 3.686,36 5.514,37 3.573,38 4.398,39 4.653,40 3.529,41 3.602,42 5.406,43 3.457,44 4.145,45 4.369,46 3.499,47 3.436,48 5.214,49 3.324,50 3.962,51 4.165,52 3.474,53 3.291,54 5.194,55 3.213,56 0.099,57 0.596,58 4.944,59 2.614,60 12.109,61 3.12,62 0.244,63 0.892,64 10.803,65 4.625,66 20.149,67 5.785,68 0.407,69 1.033,70 19.635,71 5.773,72 34.18,73 6.844,74 0.347,75 1.022,76 19.654,77 6.817,78 33.145,79 8.838,80 0.376,81 0.987,82 19.568,83 6.687,84 39.883,85 8.857,86 0.448,87 0.84,88 25.179,89 6.886,90 43.837,91 8.936,92 0.3,93 0.657,94 20.556,95 5.551,96 28.728,97 7.161,98 0.264,99 0.597,100 11.404,101 3.58,102 27.123,103 4.36,104 26,105 36,106 0.307,107 0.666,108 0.788,109 0.873,110 0.883,111 0.883,112 3.188,113 0.905,114 -4.35,115 -4.29,116 -4.04,119 40.5,124 1,125 1,139 5,141 3,143 3,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 4,172 3,173 3,178 3,181 3,182 4,184 1,185 1,189 5,193 3,195 1,196 1,197 1,198 2,200 2,201 1,204 2,205 1,207 4,209 1,210 1,212 2,215 2,218 2,220 2,221 1,223 1,224 1,229 3,234 1,241 2,246 5,248 1,249 1,251 2,254 2,256 2,260 2,265 1,268 1,270 1,273 673,274 15.033,275 15.033,276 15.033,277 15.033,278 15.033,279 12.892,280 18.719,281 8.602,282 15.6,283 12.3,284 12.3,285 12.3,286 12.3,287 12.3,288 9.119,289 25.401,290 4.093,291 13.382,292 3.498,293 1.502,294 0.821,295 0.345,296 0.291,297 0.291,298 3.864,299 2,300 1,301 1,302 1,303 492,304 2.828,307 194.489,311 101.651,314 1.44,315 21.59,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49.667,327 231,328 4.542,329 3.343,330 6.503,331 4.037,332 3.084,333 4.491,334 0.916,335 10.18,336 2.937,337 4.261,338 3.152,339 6.145,340 3.844,341 2.92,342 3.897,343 0.172,344 8.988,345 2.693,346 3.839,347 2.987,348 5.772,349 3.461,350 2.566,351 3.257,353 7.677,354 2.292,355 3.642,356 2.49,357 5.285,358 3.21,359 2.292,360 2.973,362 6.716,363 2.013,364 3.427,365 2.175,366 5.062,367 2.961,368 2.03,369 2.811,371 5.802,372 1.882,373 3.353,374 2.138,375 4.971,376 2.89,377 1.944,378 2.675,380 5.75,381 1.822,382 2.821,383 2.032,384 4.119,385 2.308,386 1.414,387 1.95,389 3.573,390 1.21,391 2.515,392 1.473,393 3.993,394 2.185,395 1.257,396 1.518,398 3.308,399 1.133,400 2.441,401 1.058,402 3.708,403 1.951,404 1.005,405 1.418,407 2.565,408 0.947,409 1.516,410 0.693,411 2.929,412 1.125,413 0.209,414 0.259,415 0.513,416 0.18,417 1.318,418 0.384,419 2.676,420 0.817,421 0.052,422 0.063,423 0.117,424 0.034,425 0.984,426 -0.075,427 2.52,428 0.526,429 -0.395,430 -0.49,431 -1.058,432 -0.357,433 0.783,434 -0.205,435 2.379,436 0.417,437 -0.497,438 -0.606,439 -1.277,440 -0.43,441 0.689,442 -0.308,443 2.324,444 0.223,445 -0.661,446 -0.83,448 -1.696,449 -0.483,450 0.512,451 -0.719,452 2.076,453 0.132,454 -0.815,455 -1.09,457 -2.213,458 -0.77,459 11.329,460 0.493,461 0.736,462 0.032,463 33.25,464 1.446,465 17.5,466 0.761,467 15.75,468 0.685,469 16.431,470 0.714,471 24.071,472 0.651,473 22.904,474 0.996,475 6.561,476 0.285,477 4.375,478 0.19,479 0.241,481 0.388,485 0.906,486 1.342,487 0.543,488 0.783,489 1.07,490 0.752,491 0.742,492 1.011,493 0.558,494 0.694,495 0.474,496 0.697,497 1.011,498 1.017,499 0.868,500 0.911,501 0.855,502 0.97,503 0.785,504 1.202,505 0.878,506 1.185,507 0.732,508 1.183,509 0.799,510 1.042,511 0.739,512 1.007,513 0.932,514 1.097,515 1.045,516 0.676,517 1.124,518 0.961,519 1.132,520 1.041,521 0.997,522 1.006,523 1.185,524 1.127,525 0.881,526 1.029,527 1.176,528 0.984,529 0.999,530 0.928,531 1.29,532 1.016,533 6,534 0.132,535 3.111,536 1.75,537 1.831,538 0.556,539 0.465,540 0.358,541 0.221,542 0.182,543 5589,544 20191,545 2.016,546 37.8,548 10,551 4,555 1.655,556 1.84,557 3.301,558 1.908,560 1,562 1,564 63.334,565 1.712,566 3.707,567 4.389,568 4.865,569 4.919,570 4.919,571 2.736,572 4.437,573 4.498,574 3.418,575 864.817,576 7.729,577 9799.77,578 1,579 1,580 1,581 1,582 192.75,583 1.538,584 4.428,585 0.24,586 0.011,587 0.086,588 0.047,589 0.061,590 0.022,591 0.022,592 0.017,593 0.012,594 0.011,595 0.53,596 0.17,597 1,598 0.675,599 107.761,600 -0.181,601 -0.141,602 -0.011,603 0.038,604 -0.293,605 0.05,606 0.076,607 0.113,608 0.11,609 0.175,610 0.212,611 0.168,612 -0.032,613 0.076,614 -0.002,615 -0.01,616 -0.004,617 -0.103,618 0.024,619 -0.218,620 -0.086,621 -0.243,622 0.06,623 -0.213,624 -0.018,625 -0.083,626 -0.008,627 -0.072,628 -0.081,629 -0.102,630 -0.093,631 0.214,632 -0.11,633 0.056,634 -0.196,635 0.008,636 -0.035,637 -0.129,638 -0.067,639 -0.07,640 0.016,641 0.032,642 -0.162,643 0.053,644 -0.085,645 -0.008,646 -0.19,647 -0.108,648 1.53,649 1.944,650 0.696,651 17.686,652 1.018,653 1.134,654 3.123,655 9.752,656 0.718,657 3.258,658 3.611,659 3.85,660 4.078,661 4.317,662 4.317,663 4.357,664 4.394,665 4.522,666 4.466,667 5.814,668 0.687,669 349.25,670 3.258,671 4.812,672 5.659,673 6.541,674 7.404,675 8.285,676 9.154,677 10.034,678 10.906,679 11.786,680 16.2,684 2,686 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,714 1,717 2,718 37,719 17,720 1,721 25,723 39,724 15,725 13,726 3,727 3,729 3,730 4,731 2,741 13,742 2,754 1,757 14,758 6,759 4,760 8,761 2,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,807 2,810 23,811 2,816 1,821 1,828 2,836 12.5,837 6.919,838 4.944,839 1.923,840 3.283,841 1.471,842 1.01,843 4.436,844 10.253,845 3.541,846 4.22,847 4.818,848 5.411,849 6.006,850 6.233,851 6.532,852 6.865,853 7.285,854 7.322,855 0.857,856 37,857 8.391,859 3.532,860 7.85,861 15.681,863 12.566,865 2.35,866 54.056,870 117.711,871 78.913,872 119.275,873 78.297,877 78.913,878 196.008,879 119.275,880 8.396,881 2.106,882 113.176,883 50.357,884 19.927,885 4.227,886 117.711,887 78.297,888 117.711,889 198.189,891 78.297,893 117.711,897 11.05,898 136.782,899 128.654,901 117.711,902 119.275,903 157.211,906 117.711,907 23.136,908 58.902,910 194.448,911 117.711,912 119.275,913 157.211,915 0.597,916 0.347,917 0.176,918 0.099,919 18,920 9,921 0.077,922 3,923 1,924 1.125,925 3.462,926 182.187,927 0.125,928 16,929 104.042,933 16.054,934 6.355,935 3.418,936 1.162,937 119.275,938 9.172,939 12.567,943 3.198,945 65.794,946 394.197,947 33.5,956 37.676,957 41.954,958 0.329,959 0.712,960 0.842,961 0.934,962 0.944,963 0.944,964 4.781,965 1.257,966 5.673,967 3.573,968 4.29,969 4.905,970 0.918,971 6.485,972 4.13,973 6.027,974 1.005,975 7.244,976 3.308,977 4.007,978 4.856,979 0.325,980 7.357,981 3.714,982 7.354,983 0.209,984 8.906,985 2.565,986 5.9,987 7.193,988 0.671,989 10.425,990 5.609,991 8.714,992 0.052,993 10.618,994 0.513,995 6.347,996 7.896,997 0.393,998 12.057,999 5.931,1000 10.099,1001 -0.395,1002 12.361,1003 0.117,1004 7.769,1005 9.759,1006 0.533,1007 14.658,1008 7.353,1009 11.504,1010 -0.497,1011 14.125,1012 -1.058,1013 8.555,1014 10.839,1015 0.384,1016 16.636,1017 8.038,1018 12.923,1019 -0.661,1020 15.904,1021 -1.277,1022 9.786,1023 12.495,1024 0.438,1025 19.056,1026 9.255,1027 3.084,1028 -0.815,1029 17.696,1030 -1.696,1031 10.737,1032 13.776,1033 0.351,1034 21.203,1035 10.126,1036 2.92,1037 10.18,1038 19.497,1039 -2.213,1040 11.889,1041 15.337,1042 0.366,1043 23.549,1044 11.25,1045 2.566,1046 8.988,1047 21.307,1048 4.491,1049 12.92,1050 16.722,1051 0.312,1052 25.777,1053 12.215,1054 2.292,1055 7.677,1056 23.123,1057 3.897,1058 14.041,1059 18.241,1060 0.309,1061 28.095,1062 13.3,1063 2.03,1064 6.716,1065 24.946,1066 3.257,1067 15.11,1068 19.68,1069 0.273,1070 30.363,1071 14.313,1072 1.944,1073 5.802,1074 26.773,1075 2.973,1076 16.22,1077 21.181,1078 0.262,1079 32.673,1080 15.382,1081 1.414,1082 5.75,1083 28.605,1084 2.811,1085 17.308,1086 22.647,1087 0.236,1088 34.961,1089 16.42,1090 5476,1091 10532,1092 16.126,1093 26.557,1094 37.912,1095 38.747,1096 39.377,1097 37.781,1098 37.548,1099 50.62,1100 2.178,1101 110.378,1102 34.288,1103 5.369,1104 5.343,1105 5.802,1106 5.109,1107 5.084,1108 7.491,1109 1.605,1110 17.074,1111 4.937,1112 13.426,1113 1.516,1114 1.55,1115 1.575,1116 1.511,1117 1.502,1118 2.025,1119 0.087,1120 4.415,1121 1.372,1122 4.057,1123 4.1,1124 4.121,1125 3.932,1126 5.323,1127 3.949,1128 3.91,1129 3.936,1130 4.017,1131 3.846,1132 5.042,1133 3.843,1134 3.549,1135 3.613,1136 3.545,1137 3.366,1138 4.988,1139 3.384,1140 3.317,1141 3.399,1142 3.401,1143 3.113,1144 4.776,1145 3.121,1146 3.115,1147 3.229,1148 3.33,1149 2.827,1150 4.491,1151 2.859,1152 2.916,1153 3.018,1154 3.017,1155 2.794,1156 4.366,1157 2.768,1158 2.878,1159 2.922,1160 2.976,1161 2.715,1162 4.188,1163 2.712,1164 2.769,1165 2.807,1166 2.71,1167 2.66,1168 3.917,1169 2.626,1170 0.182,1171 0.134,1172 0.26,1173 0.161,1174 0.123,1175 4.542,1176 0.18,1177 3.343,1178 0.037,1179 6.503,1180 0.407,1181 4.037,1182 0.117,1183 3.084,1184 4.491,1185 0.916,1186 10.18,1187 2.937,1188 1.974,1189 1.938,1190 2.036,1191 2.123,1192 1.164,1193 2.099,1194 1.875,1195 1.855,1196 1.936,1197 1.969,1198 1.048,1199 1.972,1200 1.486,1201 1.424,1202 1.667,1203 1.697,1204 0.798,1205 1.695,1206 1.267,1207 1.189,1208 1.514,1209 1.52,1210 0.543,1211 1.53,1212 1.008,1213 0.912,1214 1.291,1215 1.383,1216 0.311,1217 1.364,1218 0.92,1219 0.824,1220 1.267,1221 1.189,1222 0.171,1223 1.23,1224 0.868,1225 0.819,1226 1.099,1227 1.016,1229 1.059,1230 0.732,1231 0.7,1232 0.92,1233 0.921,1235 0.935,1236 3.932,1238 5.273,1240 6.806,1242 8.427,1244 10.095,1246 1.939,1247 11.996,1250 11.449,1252 0.567,1257 2.005,1262 25.417,1263 63.334,1264 137.166,1265 162.385,1266 179.995,1267 181.995,1268 181.995,1269 33.455,1270 6.97,1271 93.95,1272 93.95,1273 18,1274 12.324,1275 4.17,1276 3.248,1277 36.98,1278 81,1279 73,1280 0.228,1281 166.488,1282 273.58,1283 397.99,1284 9228,1285 5.4,1286 16.56,1287 0.72,1288 0.6,1289 17.56,1290 13.805,1291 10.936,1292 0.437,1293 0.302,1294 6.749,1295 10,1296 6.496,1297 5.386,1298 11.513,1299 7.542,1300 10.398,1301 0.289,1302 0.164,1303 11.139,1304 5.906,1305 8.515,1306 0.185,1307 0.09,1308 9.43,1309 4.126,1310 6.809,1311 0.117,1312 0.044,1313 7.196,1314 2.533,1315 5.527,1316 0.075,1317 0.024,1318 5.944,1319 1.741,1320 0.356,1321 74.426,1322 0.249,1323 22.545,1324 0.624,1325 122,1326 367.612,1327 163.557,1328 425.79,1329 565.5,1330 394,1331 143,1332 379.331,1333 180.998,1334 407.124,1335 593.96,1336 381,1337 7.633}
{0 CHEMBL300876,1 1.572,2 9.375,3 3.832,4 14.683,5 103.776,6 7.563,7 0.48,8 3.906,9 4.062,10 3.468,11 3.383,12 5.051,13 3.353,14 4.397,15 4.616,16 3.813,17 3.727,18 5.473,19 3.671,20 4.603,21 4.844,22 3.958,23 3.852,24 5.671,25 3.803,26 4.599,27 4.807,28 3.917,29 3.879,30 5.757,31 3.815,32 4.72,33 4.97,34 3.827,35 3.9,36 5.773,37 3.809,38 4.739,39 5.012,40 3.841,41 3.902,42 5.719,43 3.768,44 4.649,45 4.91,46 3.864,47 3.81,48 5.706,49 3.655,50 4.46,51 4.716,52 3.434,53 3.595,54 5.449,55 3.412,56 0.094,57 0.708,58 9.815,59 3.594,60 12.267,61 5.319,62 0.223,63 1.01,64 18.334,65 6.062,66 23.861,67 9.057,68 0.319,69 1.155,70 25.263,71 6.03,72 31.722,73 9.927,74 0.297,75 1.205,76 24.07,77 6.375,78 39.323,79 10.117,80 0.358,81 1.255,82 26.459,83 6.713,84 44.994,85 11.214,86 0.326,87 1.152,88 29.09,89 8.594,90 43.824,91 13.112,92 0.435,93 0.945,94 32.885,95 8.316,96 52.367,97 12.329,98 0.404,99 0.753,100 31.1,101 7.245,102 41.183,103 10.225,104 49,105 34,106 0.273,107 0.624,108 0.751,109 0.815,110 0.815,111 0.815,112 3.228,113 0.991,114 -4.78,115 -4.7,116 -4.41,119 34.8,120 3,121 1,125 2,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 6,172 3,173 3,175 1,178 6,180 1,182 9,187 1,189 6,191 1,193 13,195 1,196 1,197 1,198 5,200 2,201 5,204 5,205 1,207 8,212 4,215 4,218 4,220 2,221 3,223 1,224 1,226 2,229 3,231 2,233 2,234 4,236 1,237 1,239 2,241 7,243 2,245 2,246 2,248 2,249 2,254 5,260 1,262 1,263 1,265 1,270 1,273 818,274 16.041,275 16.041,276 16.041,277 16.041,278 16.041,279 14.368,280 22.082,281 9.298,282 16.515,283 12.098,284 12.098,285 12.098,286 12.098,287 12.098,288 9.499,289 27.31,290 4.123,291 12.84,292 3.951,293 1.932,294 1.202,295 0.832,296 0.832,297 0.832,298 3.887,299 1,300 1,301 1,302 1,303 453,304 3.391,307 164.385,314 1.458,315 21.354,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 51.833,327 225,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.4,335 11.076,336 3.094,337 4.184,338 3.111,339 6.048,340 3.727,341 2.796,342 3.815,344 8.674,345 2.586,346 3.642,347 2.667,348 5.309,349 3.367,350 2.423,351 3.013,353 6.684,354 2.283,355 3.512,356 2.385,357 5.26,358 3.175,359 2.252,360 2.627,362 6.557,363 2.063,364 3.3,365 2.226,366 5.038,367 2.932,368 1.985,369 2.548,371 5.702,372 1.876,373 3.107,374 1.969,375 4.756,376 2.681,377 1.732,378 2.32,380 4.932,381 1.635,382 2.919,383 1.808,384 4.232,385 2.457,386 1.534,387 2.036,389 3.949,390 1.363,391 2.332,392 0.854,393 3.329,394 1.743,395 0.759,396 1.09,398 1.634,399 0.741,400 1.749,401 0.744,402 3.216,403 1.591,404 0.618,405 0.649,407 1.119,408 0.6,409 1.618,410 0.733,411 2.75,412 1.545,413 0.574,414 0.618,415 0.791,416 0.548,417 1.396,418 0.447,419 2.618,420 1.074,421 0.169,422 0.196,423 0.311,424 0.139,425 1.118,426 0.047,427 2.504,428 0.865,429 -0.091,430 -0.103,431 -0.165,432 -0.084,433 0.846,434 -0.201,435 2.427,436 0.505,437 -0.399,438 -0.49,439 -0.787,440 -0.329,441 0.818,442 -0.305,443 2.247,444 0.435,445 -0.48,446 -0.588,448 -1.15,449 -0.437,450 0.624,451 -0.669,452 2.04,453 0.183,454 -0.792,455 -0.969,457 -1.947,458 -0.764,459 11.514,460 0.48,461 0.592,462 0.025,463 30,464 1.25,465 15,466 0.625,467 15,468 0.625,469 21.011,470 0.875,471 26.886,472 0.584,473 21.822,474 0.909,475 5.704,476 0.238,477 5.79,478 0.241,479 0.262,481 0.339,485 0.816,486 1.33,487 0.707,488 1.037,489 1.079,490 0.989,491 0.619,492 1.081,493 0.622,494 0.894,495 0.446,496 0.85,497 1.239,498 1.077,499 0.838,500 0.739,501 0.917,502 0.725,503 1.163,504 1.355,505 1.064,506 1.184,507 1.007,508 1.14,509 1.212,510 1.148,511 0.896,512 0.977,513 1.346,514 1.048,515 0.818,516 0.968,517 0.81,518 0.919,519 0.954,520 0.95,521 0.885,522 0.958,523 1.296,524 1.174,525 0.865,526 1.077,527 1.469,528 0.847,529 2.079,530 1.399,531 1.402,532 1.269,533 5.5,534 0.107,535 2.889,536 2.188,537 1.498,538 0.958,539 0.69,540 0.345,541 0.312,542 0.136,543 5365,544 15190,545 1.925,546 47.8,547 3,548 7,551 4,552 2,553 6,555 1.673,556 1.756,557 3.207,558 1.86,560 1,564 72.325,565 1.572,566 3.592,567 4.322,568 4.692,569 4.692,570 4.692,571 2.705,572 4.085,573 4.554,574 3.367,575 929.252,576 7.883,577 10886.8,579 1,581 1,582 254.084,583 1.555,584 4.483,585 0.22,586 0.008,587 0.085,588 0.058,589 0.042,590 0.03,591 0.023,592 0.013,593 0.017,594 0.008,595 0.504,597 1,598 1.639,599 113.386,600 0.031,601 0.009,602 0.012,603 0.007,604 -0.17,605 0.008,606 0.245,607 0.062,608 0.183,609 0.113,610 0.287,611 0.143,612 -0.135,613 0.008,614 0.116,615 0.213,616 0.01,617 0.221,618 -0.101,619 -0.184,620 -0.142,621 -0.2,622 0.018,623 -0.185,624 -0.221,625 -0.061,626 -0.113,627 -0.065,628 -0.261,629 -0.119,630 0.058,631 -0.006,632 0.108,633 0.069,634 -0.002,635 0.044,636 0.228,637 -0.054,638 0.069,639 -0.084,640 0.195,641 -0.044,642 -0.122,643 0.027,644 -0.388,645 -0.262,646 -0.208,647 -0.232,648 1.497,649 2.126,650 0.5,651 19.924,652 1.002,653 1.147,654 3.554,655 12.632,656 0.652,657 3.258,658 3.555,659 3.807,660 4.025,661 4.205,662 4.277,663 4.304,664 4.29,665 4.304,666 4.22,667 5.709,668 0.613,669 347.9,670 3.258,671 4.779,672 5.617,673 6.488,674 7.347,675 8.227,676 9.094,677 9.979,678 10.852,679 11.739,680 15.2,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 46,719 13,720 1,721 25,723 47,724 16,725 10,726 3,727 3,729 2,730 2,731 1,734 3,739 1,741 10,742 6,744 1,750 2,754 1,757 22,758 7,759 4,760 8,761 1,764 7,769 1,776 1,781 2,802 2,806 3,807 1,810 24,811 2,816 3,821 1,828 1,836 13.667,837 9.06,838 5.611,839 3.052,840 2.721,841 1.409,842 0.946,843 6.348,844 9.375,845 3.497,846 4.078,847 4.659,848 5.231,849 5.766,850 6.067,851 6.397,852 6.716,853 7.031,854 7.235,855 1,856 38,857 8.787,859 3.523,860 7.762,861 16.624,863 12.744,865 2.262,866 54.278,869 1,870 211.88,871 81.263,872 135.571,873 39.149,877 81.263,878 251.028,879 135.571,880 26.476,881 9.748,882 94.223,883 33.571,884 15.385,885 37.431,886 211.88,887 39.149,888 211.88,889 216.833,891 39.149,893 141.253,894 70.627,897 40.879,898 109.18,899 105.923,901 211.88,902 135.571,903 120.411,906 211.88,907 26.358,908 57.906,910 171.718,911 211.88,912 135.571,913 120.411,915 0.57,916 0.348,917 0.182,918 0.094,919 14,920 8,921 0.128,922 6,924 1,925 3.424,926 186.124,928 12,929 106.039,933 18.43,934 8.267,935 4.35,937 135.571,938 5.464,939 8.334,943 3.97,945 65.794,946 467.862,947 32,953 8.446,956 46.105,957 52.754,958 0.285,959 0.65,960 0.782,961 0.849,962 0.849,963 0.849,964 4.718,965 0.759,966 5.609,967 3.949,968 4.234,969 4.762,970 0.278,971 6.422,972 4.123,973 5.931,974 0.618,975 7.179,976 1.634,977 3.892,978 4.62,980 7.372,981 3.696,982 7.241,983 0.574,984 8.846,985 1.119,986 5.832,987 6.963,988 0.05,989 10.448,990 5.634,991 8.589,992 0.169,993 10.569,994 0.791,995 6.275,996 7.607,998 12.218,999 6.012,1000 9.966,1001 -0.091,1002 12.33,1003 0.311,1004 7.707,1005 9.452,1006 0.008,1007 14.845,1008 7.44,1009 11.365,1010 -0.399,1011 14.117,1012 -0.165,1013 8.514,1014 10.477,1016 16.976,1017 8.204,1018 12.782,1019 -0.48,1020 15.924,1021 -0.787,1022 9.753,1023 12.108,1024 0.001,1025 19.451,1026 9.433,1027 3.171,1028 -0.792,1029 17.748,1030 -1.15,1031 10.735,1032 13.33,1034 21.738,1035 10.386,1036 2.796,1037 11.076,1038 19.585,1039 -1.947,1040 11.901,1041 14.859,1043 24.161,1044 11.539,1045 2.423,1046 8.674,1047 21.434,1048 4.257,1049 12.965,1050 16.183,1052 26.514,1053 12.581,1054 2.252,1055 6.684,1056 23.292,1057 3.815,1058 14.108,1059 17.662,1061 28.92,1062 13.708,1063 1.985,1064 6.557,1065 25.159,1066 3.013,1067 15.211,1068 19.039,1070 31.301,1071 14.792,1072 1.732,1073 5.702,1074 27.032,1075 2.627,1076 16.348,1077 20.495,1079 33.703,1080 15.913,1081 1.534,1082 4.932,1083 28.911,1084 2.548,1085 17.471,1086 21.901,1088 36.096,1089 17.018,1090 5599,1091 9583,1092 15.72,1093 29.989,1094 36.429,1095 36.714,1096 39.016,1097 36.195,1098 36.027,1099 46.338,1100 0.8,1101 102.858,1102 33.857,1103 5.23,1104 5.278,1105 6.388,1106 5.216,1107 5.171,1108 7.257,1109 0.8,1110 17.964,1111 5.094,1112 15.223,1113 1.457,1114 1.469,1115 1.561,1116 1.448,1117 1.441,1118 1.854,1119 0.032,1120 4.114,1121 1.354,1122 4.013,1123 4.048,1124 4.055,1125 3.935,1126 5.287,1127 3.939,1128 3.774,1129 3.833,1130 3.824,1131 3.629,1132 5.039,1133 3.644,1134 3.664,1135 3.74,1136 3.553,1137 3.45,1138 4.975,1139 3.454,1140 3.392,1141 3.485,1142 3.291,1143 3.193,1144 4.719,1145 3.185,1146 3.306,1147 3.407,1148 3.204,1149 3.123,1150 4.465,1151 3.089,1152 3.129,1153 3.23,1154 3.04,1155 2.903,1156 4.231,1157 2.924,1158 3.048,1159 3.155,1160 2.999,1161 2.81,1162 4.101,1163 2.822,1164 2.875,1165 2.959,1166 2.893,1167 2.621,1168 3.965,1169 2.639,1170 0.181,1171 0.131,1172 0.271,1173 0.166,1174 0.127,1175 4.535,1176 0.17,1177 3.278,1178 0.016,1179 6.77,1180 0.443,1181 4.146,1182 0.124,1183 3.171,1184 4.257,1185 0.4,1186 11.076,1187 3.094,1188 1.957,1189 1.935,1190 2.024,1191 2.064,1192 1.189,1193 2.053,1194 1.71,1195 1.665,1196 1.904,1197 1.915,1198 1.096,1199 1.908,1200 1.623,1201 1.54,1202 1.847,1203 1.827,1204 1.003,1205 1.838,1206 1.381,1207 1.296,1208 1.725,1209 1.633,1210 0.869,1211 1.652,1212 1.351,1213 1.256,1214 1.615,1215 1.584,1216 0.596,1217 1.638,1218 1.022,1219 0.947,1220 1.268,1221 1.376,1222 0.226,1223 1.357,1224 0.96,1225 0.883,1226 1.182,1227 1.281,1228 0.178,1229 1.251,1230 0.812,1231 0.714,1232 1.123,1233 1.099,1234 0.127,1235 1.118,1236 3.932,1238 5.231,1240 6.737,1242 8.342,1244 9.999,1246 6.016,1247 6.237,1250 11.742,1252 2.233,1257 1.834,1262 28.192,1263 72.325,1264 165.216,1265 198.8,1266 215.819,1267 215.819,1268 215.819,1269 45.708,1270 6.654,1271 105.78,1272 105.78,1273 12,1274 12.273,1275 3.807,1276 3,1277 48.229,1278 81,1279 82,1280 0.297,1281 184.862,1282 312.57,1283 442.824,1284 5750,1285 2.2,1286 17.69,1287 0.737,1288 0.62,1289 18.19,1290 14.878,1291 11.494,1292 0.46,1293 0.33,1294 7.805,1295 10.752,1296 7.51,1297 6.327,1298 11.783,1299 8.258,1300 9.87,1301 0.29,1302 0.163,1303 10.241,1304 5.544,1305 8.253,1306 0.188,1307 0.089,1308 8.633,1309 3.928,1310 6.665,1311 0.121,1312 0.045,1313 6.9,1314 2.478,1315 4.912,1316 0.074,1317 0.023,1318 5.155,1319 1.497,1320 0.457,1321 75.053,1322 0.252,1323 23.182,1324 0.84,1325 118,1326 345.053,1327 145.481,1328 372.654,1329 506.07,1330 346,1331 137,1332 367.294,1333 160.886,1334 379.243,1335 549.6,1336 357,1337 4.752}
{0 CHEMBL300886,1 1.62,2 9.25,3 2.787,4 7.766,5 83.079,6 8.588,7 0.773,8 3.618,9 3.744,10 3.361,11 3.245,12 4.825,13 3.203,14 4.05,15 4.197,16 3.712,17 3.606,18 5.258,19 3.527,20 4.234,21 4.425,22 3.754,23 3.667,24 5.372,25 3.569,26 4.167,27 4.365,28 3.544,29 3.565,30 5.266,31 3.427,32 4.133,33 4.363,34 3.345,35 3.434,36 5.193,37 3.298,38 4.063,39 4.324,40 3.279,41 3.292,42 5.053,43 3.162,44 3.826,45 4.066,46 3.02,47 3.176,48 4.737,49 3.034,50 3.64,51 3.845,52 2.985,53 3.004,54 4.746,55 2.92,56 0.046,57 0.548,58 5.876,59 2.665,60 9.71,61 3.1,62 0.128,63 0.844,64 11.992,65 5.088,66 16.4,67 5.874,68 0.22,69 0.99,70 16.234,71 5.633,72 22.91,73 6.479,74 0.136,75 0.885,76 16.051,77 6.072,78 20.871,79 7.062,80 0.161,81 0.822,82 15.348,83 5.39,84 26.328,85 6.529,86 0.211,87 0.751,88 15.203,89 4.437,90 25.836,91 5.862,92 0.081,93 0.569,94 12.442,95 4.594,96 11.974,97 5.779,98 0.063,99 0.501,100 7.547,101 2.873,102 11.27,103 3.839,104 5,105 30,106 0.298,107 0.604,108 0.724,109 0.833,110 0.849,111 0.849,112 3.057,113 0.964,114 -4.11,115 -4.05,116 -3.84,119 42.4,125 1,139 7,141 1,143 3,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 2,172 3,173 3,178 6,181 2,182 3,184 1,185 1,189 5,193 1,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,207 3,209 1,210 1,212 2,215 2,218 2,221 4,226 1,229 4,231 1,234 1,241 3,246 4,251 3,254 1,256 3,260 4,265 2,270 2,273 466,274 13.585,275 13.585,276 13.585,277 13.585,278 13.585,279 11.497,280 11.604,281 8.156,282 14.003,283 10.888,284 10.888,285 10.888,286 10.888,287 10.888,288 7.817,289 12.011,290 3.93,291 11.603,292 3.425,293 1.759,294 1.103,295 0.508,296 0.424,297 0.424,298 3.741,300 1,301 1,302 1,303 400,304 2.236,307 160.195,311 82.75,314 1.45,315 14.27,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 42.5,327 185,328 4.541,329 4.435,330 6.502,331 4.031,332 3.078,333 4.491,334 3.272,335 10.175,336 2.931,337 3.913,338 3.152,339 5.406,340 3.476,341 2.559,342 3.451,344 7.147,345 2.342,346 3.749,347 2.934,348 5.24,349 3.303,350 2.355,351 3.224,353 6.685,354 2.233,355 3.429,356 2.294,357 5.062,358 2.967,359 2.039,360 2.811,362 5.801,363 1.885,364 3.371,365 2.106,366 4.966,367 2.903,368 1.958,369 2.697,371 5.741,372 1.843,373 2.916,374 1.932,375 3.711,376 2.444,377 1.492,378 2.086,380 3.148,381 1.401,382 2.5,383 1.662,384 3.639,385 2,386 1.008,387 1.5,389 2.565,390 1,391 2.454,392 1.058,393 3.247,394 1.958,395 1,396 1.434,398 2.136,399 0.954,400 1.907,401 1,402 3.166,403 1.544,404 0.687,405 0.81,407 1.615,408 0.573,409 1.368,410 0.495,411 2.721,412 0.927,413 0.022,414 0.029,415 0.055,416 0.02,417 0.976,418 0.225,419 2.549,420 0.489,421 -0.433,422 -0.562,423 -1.125,424 -0.396,425 0.78,426 -0.293,427 2.392,428 0.363,429 -0.556,430 -0.688,431 -1.318,432 -0.497,433 0.562,434 -0.491,435 2.051,436 0.132,437 -0.815,438 -1.084,439 -2.08,440 -0.768,441 0.5,442 -0.735,443 1.562,444 0.036,445 -0.9,446 -1.204,448 -2.347,449 -0.833,450 0.414,451 -1,452 1.555,454 -1,455 -1.5,457 -2.452,458 -1,459 9.833,460 0.492,461 0.452,462 0.023,463 30.5,464 1.525,465 17.5,466 0.875,467 13,468 0.65,469 11.881,470 0.594,471 20.167,472 0.611,473 18.622,474 0.931,475 5.835,476 0.292,477 3.885,478 0.194,479 0.081,481 0.305,485 1.127,486 1.037,487 0.739,488 0.739,489 1.324,490 0.736,491 0.535,492 1.03,493 1.011,494 1.103,495 0.469,496 0.96,497 1.106,498 0.961,499 1.146,500 1.033,501 0.927,502 0.961,503 0.836,504 1.158,505 1.276,506 1.301,507 0.72,508 1.202,509 1.122,510 1.028,511 1.153,512 1.089,513 1.216,514 1.116,515 1.22,516 0.834,517 0.894,518 0.84,519 1.23,520 0.889,521 0.62,522 0.897,523 0.974,524 1.014,525 0.575,526 0.932,527 0.872,528 1.204,529 0.751,530 1.014,531 0.941,532 1.082,533 4,534 0.062,535 1.778,536 1,537 1.249,538 0.354,539 0.182,540 0.248,541 0.123,542 0.086,543 4058,544 11612,545 2.107,546 39.4,548 9,551 4,555 1.613,556 2,557 3.184,558 1.977,560 1,562 1,564 53.447,565 1.62,566 3.285,567 3.941,568 4.537,569 4.62,570 4.62,571 2.69,572 3.784,573 4.294,574 3.31,575 628.958,576 7.312,577 6456.33,578 1,579 1,580 1,581 1,582 166.465,583 1.295,584 4.266,585 0.182,586 0.009,587 0.059,588 0.034,589 0.054,590 0.019,591 0.011,592 0.017,593 0.009,594 0.008,595 0.402,596 0.5,597 1,598 0.548,599 89.233,600 -0.221,601 0.059,602 0.03,603 0.143,604 -0.344,605 0.103,606 0.337,607 0.037,608 -0.007,609 -0.067,610 0.272,611 -0.046,612 -0.007,613 0.11,614 -0.071,615 -0.003,616 -0.045,617 -0.045,618 0.059,619 -0.162,620 -0.157,621 -0.213,622 0.169,623 -0.22,624 -0.124,625 -0.061,626 -0.145,627 -0.102,628 -0.124,629 -0.142,630 -0.142,631 0.107,632 0.106,633 0.118,634 -0.219,635 0.107,636 0.072,637 -0.026,638 0.063,639 0.046,640 0.091,641 0.144,642 -0.01,643 -0.269,644 0.007,645 -0.168,646 0.009,647 -0.141,648 1.497,649 1.833,650 0.8,651 15.1,652 1.004,653 1.123,654 2.878,655 8.283,656 0.719,657 3.135,658 3.434,659 3.664,660 3.912,661 4.143,662 4.094,663 4.143,664 4.22,665 4.317,666 4.234,667 5.405,668 0.679,669 283.39,670 3.135,671 4.654,672 5.485,673 6.347,674 7.195,675 8.062,676 8.918,677 9.788,678 10.649,679 11.521,680 15.2,684 2,690 3,694 2,695 7,696 3,700 4,702 17,711 2,718 33,719 17,720 1,721 22,723 35,724 14,725 13,726 1,727 5,729 3,730 4,741 13,742 1,753 1,754 1,757 13,758 5,759 4,760 6,761 1,764 5,769 0.667,775 1,776 1,781 3,785 1,802 2,803 1,804 1,810 20,811 2,816 1,819 1,836 10,837 5.767,838 4.389,839 1.731,840 3.277,841 1.489,842 1.03,843 3.61,844 9.977,845 3.45,846 4.094,847 4.694,848 5.301,849 5.895,850 6.082,851 6.417,852 6.776,853 7.181,854 7.162,855 1,856 29,857 7.312,859 3.059,860 7.717,861 13.884,863 11.156,865 2.217,866 44.333,867 0.001,870 105.94,871 112.276,872 116.151,876 32.22,877 80.056,878 105.94,879 116.151,881 0.9,882 132.128,883 50.357,884 8.596,885 4.227,886 138.159,888 105.94,889 196.207,891 32.22,893 105.94,897 9.844,898 136.007,899 50.357,900 32.22,901 105.94,902 116.151,903 112.276,906 105.94,907 45.942,908 66.334,910 116.151,911 105.94,912 116.151,913 112.276,915 0.576,916 0.327,917 0.179,918 0.1,919 15,920 6,921 0.086,922 3,923 1,924 1.125,925 3.336,926 146.888,927 0.125,928 16,929 82.439,930 1,933 13.005,934 5.551,935 2.963,936 1.272,937 116.151,938 13.992,939 12.554,943 2.629,945 65.794,946 334.367,947 30.5,956 33.12,957 37.072,958 0.321,959 0.651,960 0.781,961 0.899,962 0.916,963 0.916,964 4.647,965 1,966 5.451,967 2.565,968 4.111,969 4.779,970 3.11,971 6.213,972 3.988,973 5.862,974 0.687,975 6.974,976 2.136,977 3.611,978 4.559,980 6.986,981 3.422,982 7.164,983 0.022,984 8.595,985 1.615,986 5.652,987 7.043,988 5.44,989 10.075,990 5.413,991 8.503,992 -0.433,993 10.273,994 0.055,995 5.943,996 7.644,998 11.689,999 5.635,1000 9.871,1001 -0.556,1002 11.99,1003 -1.125,1004 7.459,1005 9.595,1006 7.807,1007 14.297,1008 7.114,1009 11.262,1010 -0.815,1011 13.734,1012 -1.318,1013 8.149,1014 10.626,1016 16.298,1017 7.74,1018 12.672,1019 -0.9,1020 15.5,1021 -2.08,1022 9.432,1023 12.332,1024 10.177,1025 18.73,1026 8.989,1027 3.078,1028 -1,1029 17.282,1030 -2.347,1031 10.333,1032 13.597,1034 20.911,1035 9.833,1036 2.559,1037 10.175,1038 19.08,1039 -2.452,1040 11.513,1041 15.188,1042 12.548,1043 23.275,1044 10.978,1045 2.355,1046 7.147,1047 20.889,1048 4.491,1049 12.523,1050 16.574,1052 25.535,1053 11.935,1054 2.039,1055 6.685,1056 22.709,1057 3.451,1058 13.661,1059 18.113,1060 14.919,1061 27.873,1062 13.035,1063 1.958,1064 5.801,1065 24.537,1066 3.224,1067 14.726,1068 19.559,1070 30.166,1071 14.05,1072 1.492,1073 5.741,1074 26.373,1075 2.811,1076 15.849,1077 21.075,1078 17.29,1079 32.494,1080 15.132,1081 1.008,1082 3.148,1083 28.215,1084 2.697,1085 16.942,1086 22.551,1088 34.802,1089 16.176,1090 3910,1091 6733,1092 14.909,1093 23.722,1094 32.605,1095 35.423,1096 32.785,1097 32.396,1098 32.398,1099 45.063,1100 6.545,1101 90.134,1102 30.365,1103 5.36,1104 6.435,1105 6.304,1106 5.136,1107 5.078,1108 7.491,1109 6.545,1110 17.069,1111 4.931,1112 7.675,1113 1.482,1114 1.61,1115 1.49,1116 1.473,1117 1.473,1118 2.048,1119 0.297,1120 4.097,1121 1.38,1122 4.048,1123 4.09,1124 4.078,1125 3.938,1126 5.323,1127 3.944,1128 3.872,1129 3.899,1130 3.938,1131 3.831,1132 4.988,1133 3.812,1134 3.508,1135 3.57,1136 3.533,1137 3.37,1138 4.783,1139 3.36,1140 3.132,1141 3.23,1142 3.273,1143 3.055,1144 4.73,1145 2.994,1146 3.097,1147 3.171,1148 3.007,1149 2.812,1150 4.217,1151 2.845,1152 2.854,1153 2.925,1154 2.716,1155 2.735,1156 3.909,1157 2.715,1158 2.788,1159 2.848,1160 2.687,1161 2.669,1162 3.72,1163 2.658,1164 2.616,1165 2.739,1166 2.433,1167 2.321,1168 3.674,1169 2.325,1170 0.206,1171 0.202,1172 0.296,1173 0.183,1174 0.14,1175 4.541,1176 0.204,1177 4.435,1178 0.149,1179 6.502,1180 0.462,1181 4.031,1182 0.133,1183 3.078,1184 4.491,1185 3.272,1186 10.175,1187 2.931,1188 1.968,1189 1.936,1190 2.019,1191 2.113,1192 1.139,1193 2.089,1194 1.872,1195 1.847,1196 1.98,1197 1.941,1198 1.046,1199 1.966,1200 1.445,1201 1.394,1202 1.571,1203 1.651,1204 0.74,1205 1.643,1206 1.103,1207 1.054,1208 1.309,1209 1.383,1210 0.333,1211 1.364,1212 0.995,1213 0.894,1214 1.27,1215 1.268,1216 0.218,1217 1.317,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.151,1223 1.107,1224 0.792,1225 0.735,1226 1.036,1227 0.953,1229 0.993,1230 0.555,1231 0.436,1232 0.917,1233 0.91,1235 0.927,1236 3.807,1238 5.106,1240 6.608,1242 8.205,1244 9.854,1250 11.396,1252 0.768,1255 1.722,1262 22.401,1263 53.447,1264 108.407,1265 130.059,1266 149.71,1267 152.465,1268 152.465,1269 22.81,1270 6.7,1271 90.71,1272 116.01,1273 18,1274 12.065,1275 4.17,1276 3.248,1277 30.133,1278 65,1279 60,1280 0.231,1281 144.566,1282 233.37,1283 344.502,1284 6718,1286 13.949,1287 0.697,1288 0.573,1289 14.303,1290 11.47,1291 9.72,1292 0.442,1293 0.321,1294 6.109,1295 8.98,1296 5.882,1297 4.889,1298 10.174,1299 7.072,1300 8.738,1301 0.291,1302 0.176,1303 9.316,1304 5.288,1305 7.075,1306 0.186,1307 0.101,1308 7.77,1309 3.82,1310 5.981,1311 0.122,1312 0.055,1313 6.636,1314 2.675,1315 4.853,1316 0.078,1317 0.03,1318 5.492,1319 1.882,1320 0.361,1321 64.665,1322 0.259,1323 20.094,1324 0.63,1325 104,1326 288.42,1327 134.719,1328 311.458,1329 432.54,1330 292,1331 120,1332 313.198,1333 146.728,1334 332.534,1335 483.95,1336 313,1337 6.284}
{0 CHEMBL301030,1 1.466,2 8.826,3 3.484,4 12.141,5 99.303,6 6.899,7 0.5,8 3.87,9 4.01,10 3.352,11 3.383,12 5.023,13 3.351,14 4.336,15 4.533,16 3.648,17 3.717,18 5.413,19 3.656,20 4.479,21 4.667,22 3.753,23 3.861,24 5.526,25 3.794,26 4.645,27 4.863,28 3.744,29 3.937,30 5.67,31 3.844,32 4.687,33 4.898,34 3.691,35 3.985,36 5.665,37 3.861,38 4.795,39 5.059,40 3.593,41 3.942,42 5.672,43 3.799,44 4.657,45 4.909,46 3.492,47 3.841,48 5.568,49 3.679,50 4.711,51 5.038,52 3.368,53 3.661,54 5.595,55 3.488,56 0.053,57 0.652,58 9.972,59 3.862,60 12.37,61 5.466,62 0.222,63 0.952,64 16.893,65 6.555,66 25.552,67 9.066,68 0.107,69 1.11,70 19.137,71 7.245,72 20.364,73 10.398,74 0.268,75 1.227,76 23.465,77 8.528,78 36.287,79 12.122,80 0.149,81 1.283,82 23.944,83 9.367,84 30.529,85 13.385,86 0.315,87 1.294,88 28.264,89 9.76,90 39.202,91 14.265,92 0.098,93 1.187,94 23.636,95 9.043,96 26.438,97 13.418,98 0.408,99 1.101,100 27.014,101 8.277,102 49.495,103 13.109,104 39,105 32,106 0.255,107 0.639,108 0.776,109 0.791,110 0.791,111 0.791,112 3.188,113 0.927,114 -4.58,115 -4.51,116 -4.24,119 40,120 2,121 1,124 1,134 4,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 12,169 1,170 4,172 3,173 3,175 1,178 13,180 1,182 6,187 1,189 14,191 1,193 5,195 1,196 1,197 1,198 2,200 2,201 13,204 2,205 1,207 7,212 3,215 12,218 3,221 5,226 3,229 9,231 3,234 4,239 4,241 4,243 4,245 2,246 4,248 1,249 1,251 4,254 1,256 4,260 4,265 4,270 4,273 730,274 15.541,275 15.541,276 15.541,277 15.541,278 15.541,279 13.297,280 18.508,281 9.389,282 15.886,283 11.718,284 11.718,285 11.718,286 11.718,287 11.718,288 8.696,289 20.859,290 4.198,291 12.184,292 4.026,293 1.816,294 1.028,295 0.939,296 0.939,297 0.939,298 3.849,300 1,301 1,302 1,303 409,304 3.082,307 161.248,314 1.255,315 15.596,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 49,327 203,328 4.45,329 3.255,330 6.53,331 4.058,332 3.078,333 4.15,334 0.86,335 10.309,336 3.016,337 4.23,338 3.056,339 6.088,340 3.815,341 2.856,342 3.878,343 0.68,344 8.843,345 2.742,346 3.606,347 2.535,348 5.281,349 3.236,350 2.28,351 2.944,353 6.716,354 2.18,355 3.522,356 2.178,357 5.223,358 3.115,359 2.115,360 2.822,362 6.311,363 2.115,364 3.364,365 2.148,366 4.921,367 2.94,368 1.999,369 2.667,371 5.65,372 1.87,373 2.887,374 1.785,375 4.149,376 2.359,377 1.427,378 1.952,380 3.675,381 1.325,382 2.823,383 1.551,384 3.874,385 2.319,386 1.359,387 1.849,389 2.866,390 1.299,391 2.578,392 1.312,393 3.153,394 2,395 1,396 1.44,398 1.714,399 1,400 1.964,401 1.284,402 3.104,403 1.693,404 0.778,405 0.881,407 1.357,408 0.704,409 1.563,410 0.626,411 2.774,412 1.267,413 0.332,414 0.394,415 0.715,416 0.309,417 1,418 0.285,419 2.567,420 0.746,421 -0.186,422 -0.205,423 -0.279,424 -0.169,425 1,426 -0.071,427 2.359,428 0.736,429 -0.254,430 -0.303,431 -0.478,432 -0.254,433 0.801,434 -0.165,435 2.322,436 0.532,437 -0.446,438 -0.524,439 -0.944,440 -0.435,441 0.725,442 -0.314,443 2,444 0.392,445 -0.515,446 -0.621,448 -1.242,449 -0.467,450 0.422,451 -0.604,452 1.69,453 0.048,454 -0.916,455 -1.155,457 -2.047,458 -0.875,459 10.933,460 0.475,461 0.503,462 0.022,463 30.5,464 1.326,465 16.5,466 0.717,467 14,468 0.609,469 17.368,470 0.755,471 25.067,472 0.557,473 22.384,474 0.973,475 6.381,476 0.277,477 4.703,478 0.204,479 0.21,481 0.32,485 1.051,486 1.224,487 0.917,488 1.068,489 1.274,490 0.983,491 0.912,492 0.812,493 0.803,494 0.874,495 0.635,496 0.848,497 0.963,498 1.211,499 0.951,500 1.145,501 0.836,502 1.059,503 1.202,504 0.899,505 1.047,506 0.986,507 0.956,508 1.003,509 0.921,510 1.238,511 1.17,512 1.327,513 0.932,514 1.292,515 1.289,516 0.897,517 1.055,518 0.931,519 1.033,520 0.974,521 0.51,522 1.376,523 1.017,524 1.375,525 0.593,526 1.281,527 0.637,528 0.768,529 0.714,530 0.721,531 0.73,532 0.723,533 5,534 0.087,535 2.444,536 1.813,537 1.538,538 0.757,539 0.628,540 0.358,541 0.238,542 0.152,543 4764,544 12472,545 1.946,546 48.9,547 8,548 9,550 1,551 4,555 1.663,556 1.792,557 3.127,558 1.779,560 1,564 65.967,565 1.466,566 3.676,567 4.464,568 4.553,569 4.553,570 4.553,571 2.512,572 3.882,573 4.493,574 3.272,575 827.828,576 7.77,577 9447.83,579 1,581 1,582 247.133,583 1.51,584 4.433,585 0.208,586 0.014,587 0.076,588 0.052,589 0.045,590 0.024,591 0.022,592 0.015,593 0.011,594 0.01,595 0.479,597 1,598 1.365,599 106.719,600 -0.098,601 0.002,602 0.013,603 0.02,604 -0.238,605 0.034,606 0.176,607 0.271,608 0.16,609 0.176,610 0.209,611 0.158,612 -0.042,613 -0.102,614 -0.01,615 -0.087,616 -0.027,617 -0.046,618 -0.081,619 0.144,620 -0.077,621 0.034,622 0.012,623 -0.014,624 -0.095,625 -0.204,626 -0.238,627 -0.269,628 -0.14,629 -0.271,630 -0.169,631 0.029,632 -0.068,633 0.059,634 -0.138,635 0.011,636 0.079,637 -0.421,638 -0.089,639 -0.341,640 0.097,641 -0.255,642 0.299,643 0.078,644 0.295,645 0.195,646 0.253,647 0.237,648 1.481,649 2.058,650 0.522,651 18.858,652 0.993,653 1.132,654 3.353,655 11.245,656 0.652,657 3.219,658 3.497,659 3.738,660 3.989,661 4.174,662 4.19,663 4.19,664 4.277,665 4.263,666 4.159,667 5.442,668 0.612,669 310.44,670 3.219,671 4.727,672 5.557,673 6.425,674 7.279,675 8.154,676 9.016,677 9.893,678 10.758,679 11.636,680 8.9,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,718 45,719 14,720 1,721 24,723 46,724 18,725 10,726 4,727 2,728 4,729 2,730 2,734 2,739 1,741 14,742 4,744 2,749 4,753 1,754 1,757 22,758 5,759 4,760 5,764 4,769 1,770 1,776 1,781 2,795 4,802 2,806 3,810 23,811 2,816 1,818 1,829 2.2,834 1,836 12.833,837 8.817,838 5.417,839 2.501,840 2.516,841 1.385,842 0.956,843 5.772,844 9.056,845 3.497,846 4.078,847 4.63,848 5.198,849 5.729,850 5.91,851 6.176,852 6.523,853 6.786,854 7.05,855 0.833,856 35,857 8.41,859 3.331,860 7.703,861 15.999,863 12.215,865 2.203,866 50.667,869 1,870 211.88,871 119.186,872 99.365,874 11,877 119.186,878 222.88,879 99.365,880 28.533,881 2.535,882 122.652,883 45.342,884 38.033,885 4.227,886 200.109,888 211.88,889 218.551,890 11,893 211.88,894 11,897 31.131,898 115.944,899 71.476,901 211.88,902 110.365,903 119.186,906 211.88,907 24.747,908 94.438,910 110.365,911 211.88,912 110.365,913 119.186,915 0.557,916 0.333,917 0.195,918 0.109,919 13,920 7,921 0.109,922 5,924 1,925 3.368,926 174.494,928 12,929 94.042,933 17.036,934 7.792,935 4.109,937 110.365,938 5.843,939 8.034,943 5.45,945 65.794,946 441.431,947 32,952 8.028,956 44.687,957 50.939,958 0.267,959 0.669,960 0.813,961 0.829,962 0.829,963 0.829,964 4.7,965 1,966 5.533,967 2.866,968 4.174,969 4.762,970 1.225,971 6.33,972 4.104,973 5.915,974 0.778,975 7.084,976 1.714,977 3.761,978 4.559,980 7.209,981 3.664,982 7.219,983 0.332,984 8.735,985 1.357,986 5.746,987 6.955,988 0.925,989 10.292,990 5.622,991 8.56,992 -0.186,993 10.443,994 0.715,995 6.133,996 7.548,998 11.971,999 5.98,1000 9.928,1001 -0.254,1002 12.187,1003 -0.279,1004 7.596,1005 9.418,1006 0.697,1007 14.572,1008 7.423,1009 11.318,1010 -0.446,1011 13.955,1012 -0.478,1013 8.363,1014 10.399,1016 16.599,1017 8.16,1018 12.725,1019 -0.515,1020 15.741,1021 -0.944,1022 9.611,1023 12.036,1024 0.525,1025 19.025,1026 9.391,1027 3.078,1028 -0.916,1029 17.541,1030 -1.242,1031 10.559,1032 13.218,1034 21.211,1035 10.311,1036 2.856,1037 10.309,1038 19.352,1039 -2.047,1040 11.719,1041 14.742,1042 0.395,1043 23.57,1044 11.453,1045 2.28,1046 8.843,1047 21.172,1048 4.15,1049 12.752,1050 16.029,1052 25.828,1053 12.461,1054 2.115,1055 6.716,1056 22.999,1057 3.878,1058 13.877,1059 17.496,1060 0.298,1061 28.163,1062 13.567,1063 1.999,1064 6.311,1065 24.832,1066 2.944,1067 14.95,1068 18.839,1070 30.455,1071 14.617,1072 1.427,1073 5.65,1074 26.67,1075 2.822,1076 16.062,1077 20.277,1078 0.224,1079 32.781,1080 15.71,1081 1.359,1082 3.675,1083 28.513,1084 2.667,1085 17.154,1086 21.651,1088 35.09,1089 16.781,1090 4957,1091 8129,1092 15.315,1093 29.33,1094 35.306,1095 35.23,1096 36.863,1097 34.434,1098 34.449,1099 45.953,1100 3.08,1101 96.313,1102 33.122,1103 5.22,1104 5.255,1105 6.296,1106 5.127,1107 5.078,1108 7.15,1109 1.72,1110 17.254,1111 5.016,1112 13.595,1113 1.471,1114 1.468,1115 1.536,1116 1.435,1117 1.435,1118 1.915,1119 0.128,1120 4.013,1121 1.38,1122 4.018,1123 4.044,1124 3.973,1125 3.957,1126 5.291,1127 3.957,1128 3.833,1129 3.882,1130 3.796,1131 3.68,1132 4.979,1133 3.702,1134 3.568,1135 3.625,1136 3.434,1137 3.473,1138 4.867,1139 3.457,1140 3.449,1141 3.516,1142 3.304,1143 3.323,1144 4.465,1145 3.311,1146 3.292,1147 3.354,1148 3.136,1149 3.037,1150 4.404,1151 3.052,1152 3.121,1153 3.227,1154 2.96,1155 2.858,1156 4.397,1157 2.864,1158 2.974,1159 3.095,1160 2.794,1161 2.748,1162 4.206,1163 2.723,1164 2.896,1165 2.982,1166 2.687,1167 2.664,1168 3.746,1169 2.68,1170 0.185,1171 0.136,1172 0.272,1173 0.169,1174 0.128,1175 4.45,1176 0.173,1177 3.255,1178 0.036,1179 6.53,1180 0.43,1181 4.058,1182 0.126,1183 3.078,1184 4.15,1185 0.86,1186 10.309,1187 3.016,1188 1.982,1189 1.964,1190 2.073,1191 2.066,1192 1.257,1193 2.067,1194 1.764,1195 1.72,1196 1.869,1197 1.944,1198 0.971,1199 1.922,1200 1.594,1201 1.542,1202 1.835,1203 1.737,1204 0.877,1205 1.774,1206 1.458,1207 1.395,1208 1.704,1209 1.636,1210 0.741,1211 1.668,1212 1.229,1213 1.162,1214 1.573,1215 1.537,1216 0.573,1217 1.548,1218 1.076,1219 0.984,1220 1.367,1221 1.388,1222 0.399,1223 1.387,1224 0.935,1225 0.855,1226 1.269,1227 1.265,1228 0.352,1229 1.277,1230 0.897,1231 0.781,1232 1.233,1233 1.14,1234 0.111,1235 1.189,1236 3.892,1238 5.176,1240 6.668,1242 8.266,1244 9.918,1246 5.64,1250 11.484,1252 0.63,1254 5.558,1262 27.542,1263 65.967,1264 165.428,1265 200.869,1266 204.869,1267 204.869,1268 204.869,1269 37.126,1270 6.54,1271 87.05,1272 87.05,1273 12,1274 12.176,1275 3.907,1276 3.17,1277 44.986,1278 74,1279 76,1280 0.303,1281 176.4,1282 305.11,1283 422.176,1284 4836,1286 16.82,1287 0.731,1288 0.596,1289 16.82,1290 13.706,1291 11.083,1292 0.462,1293 0.309,1294 7.326,1295 10.727,1296 7.003,1297 5.971,1298 11.083,1299 7.418,1300 9.398,1301 0.294,1302 0.16,1303 9.398,1304 5.123,1305 7.519,1306 0.183,1307 0.083,1308 7.519,1309 3.414,1310 6.458,1311 0.122,1312 0.047,1313 6.458,1314 2.474,1315 4.955,1316 0.077,1317 0.025,1318 4.955,1319 1.602,1320 0.463,1321 69.055,1322 0.256,1323 22.296,1324 0.867,1325 112,1326 307.65,1327 120.929,1328 305.871,1329 421.21,1330 286,1331 129,1332 312.517,1333 137.651,1334 323.806,1335 465.77,1336 301,1337 4.569}
{0 CHEMBL301105,1 1.638,2 10.16,3 2.374,4 5.638,5 97.528,6 7.565,7 0.63,8 3.922,9 4.053,10 3.493,11 3.358,12 5.113,13 3.375,14 4.408,15 4.596,16 3.833,17 3.697,18 5.551,19 3.705,20 4.53,21 4.7,22 3.934,23 3.858,24 5.687,25 3.847,26 4.675,27 4.874,28 3.872,29 3.923,30 5.749,31 3.86,32 4.788,33 5.026,34 3.744,35 3.914,36 5.786,37 3.817,38 4.743,39 5.005,40 3.589,41 3.811,42 5.672,43 3.692,44 4.612,45 4.878,46 3.533,47 3.68,48 5.524,49 3.579,50 4.456,51 4.712,52 3.432,53 3.562,54 5.469,55 3.478,56 0.082,57 0.699,58 9.271,59 3.374,60 11.79,61 4.687,62 0.369,63 1.019,64 17.55,65 5.429,66 29.81,67 7.555,68 0.376,69 1.203,70 18.657,71 6.154,72 27.491,73 8.605,74 0.33,75 1.283,76 22.451,77 7.835,78 31.084,79 11.292,80 0.544,81 1.3,82 27.254,83 8.226,84 48.162,85 12.331,86 0.54,87 1.16,88 27.172,89 8.288,90 45.797,91 12.302,92 0.426,93 0.997,94 24.345,95 7.503,96 36.348,97 11.208,98 0.341,99 0.919,100 19.903,101 5.673,102 35.9,103 8.705,104 30,105 38,106 0.283,107 0.626,108 0.764,109 0.832,110 0.847,111 0.87,112 3.267,113 0.848,114 -2.85,115 -2.85,116 -2.76,119 37.8,124 3,125 1,139 5,141 3,143 3,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 6,172 3,173 3,178 1,181 4,182 7,184 1,185 1,189 1,192 1,193 3,195 1,196 1,197 1,198 2,200 2,204 2,205 1,206 1,207 2,209 1,210 1,212 2,215 1,218 2,220 3,221 2,223 1,224 1,229 2,233 1,234 3,241 2,246 3,248 1,249 1,251 1,254 1,256 1,259 2,260 2,262 1,263 1,265 1,270 1,273 845,274 16.773,275 16.773,276 16.773,277 16.773,278 16.773,279 14.737,280 23.409,281 9.666,282 17.454,283 13.181,284 13.181,285 13.181,286 13.181,287 13.181,288 9.975,289 31.969,290 4.421,291 14.11,292 3.854,293 1.867,294 1.064,295 0.673,296 0.584,297 0.45,298 3.946,300 1,301 1,302 1,303 536,304 3.162,307 213.549,311 110.604,314 1.446,315 21.865,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 55,327 254,328 4.543,329 3.309,330 6.508,331 4.043,332 3.092,333 4.491,334 0.916,335 10.198,336 2.942,337 4.337,338 3.118,339 6.469,340 3.962,341 3.014,342 3.955,343 0.86,344 10.031,345 2.855,346 3.791,347 2.774,348 5.418,349 3.406,350 2.46,351 3.242,352 0.86,353 7.145,354 2.327,355 3.578,356 2.644,357 5.229,358 3.186,359 2.262,360 2.893,361 0.172,362 6.531,363 2.083,364 3.43,365 2.318,366 5.064,367 2.991,368 2.074,369 2.811,371 5.88,372 1.897,373 3.391,374 2.14,375 5.02,376 2.934,377 1.994,378 2.706,380 5.793,381 1.871,382 3.115,383 2.011,384 4.876,385 2.765,386 1.832,387 2.266,389 5.261,390 1.701,391 2.458,392 1.337,393 3.844,394 2.013,395 1.038,396 1.441,398 2.735,399 1.01,400 2.381,401 1.116,402 3.707,403 1.945,404 1,405 1.346,407 2.565,408 0.942,409 1.881,410 1.057,411 3.056,412 1.606,413 0.748,414 0.822,415 1.273,416 0.636,417 1.503,418 0.913,419 2.876,420 1.191,421 0.333,422 0.366,423 0.492,424 0.283,425 1.434,426 0.396,427 2.683,428 1.093,429 0.162,430 0.203,431 0.365,432 0.151,433 0.987,434 -0.008,435 2.578,436 0.55,437 -0.376,438 -0.462,439 -0.833,440 -0.347,441 0.825,442 -0.201,443 2.483,444 0.445,445 -0.471,446 -0.585,448 -1.081,449 -0.427,450 0.699,451 -0.307,452 2.255,453 0.362,454 -0.55,455 -0.638,457 -1.291,458 -0.497,459 11.567,460 0.463,461 0.66,462 0.026,463 35.75,464 1.43,465 18.5,466 0.74,467 17.25,468 0.69,469 17.471,470 0.699,471 27.433,472 0.61,473 26.906,474 1.076,475 7.385,476 0.295,477 4.627,478 0.185,479 0.199,481 0.38,485 1.037,486 1.495,487 0.802,488 1.181,489 1.204,490 0.97,491 1.255,492 0.916,493 0.763,494 0.728,495 0.729,496 0.674,497 1.061,498 1.099,499 1,500 1.046,501 0.916,502 1.013,503 0.84,504 1.305,505 1.032,506 1.309,507 0.746,508 1.23,509 1.01,510 1.056,511 1.158,512 1.119,513 1.055,514 1.158,515 0.963,516 0.802,517 1.082,518 1.006,519 0.943,520 1.062,521 0.968,522 0.919,523 0.838,524 0.902,525 0.685,526 0.873,527 1.039,528 0.934,529 1.047,530 0.974,531 1.205,532 0.994,533 6,534 0.136,535 2.889,536 2,537 1.991,538 0.792,539 0.508,540 0.311,541 0.287,542 0.217,543 6739,544 19601,545 2.015,546 44.4,548 16,551 4,555 1.681,556 1.852,557 3.312,558 1.815,559 1,560 1,564 73.698,565 1.638,566 3.625,567 4.428,568 4.819,569 4.908,570 5.042,571 2.713,572 4.294,573 4.618,574 3.445,575 1033.62,576 7.988,577 12461.1,579 1,581 1,582 247.133,583 1.516,584 4.555,585 0.222,586 0.009,587 0.076,588 0.049,589 0.054,590 0.026,591 0.02,592 0.012,593 0.012,594 0.01,595 0.489,596 0.17,597 1,598 0.942,599 120.226,600 -0.129,601 -0.244,602 0.04,603 -0.103,604 -0.25,605 -0.006,606 -0.07,607 0.18,608 0.189,609 0.27,610 0.161,611 0.269,612 -0.045,613 0.086,614 -0.104,615 -0.036,616 -0.045,617 -0.077,618 0.01,619 -0.236,620 -0.124,621 -0.264,622 0.054,623 -0.233,624 -0.065,625 -0.074,626 -0.193,627 -0.133,628 -0.132,629 -0.176,630 -0.016,631 0.114,632 -0.087,633 -0.026,634 -0.078,635 -0.065,636 0.013,637 -0.069,638 0.176,639 0.109,640 0.128,641 0.158,642 -0.123,643 0.034,644 -0.065,645 -0.014,646 -0.184,647 -0.018,648 1.53,649 1.935,650 0.64,651 19.952,652 1.01,653 1.14,654 1.615,655 2.609,656 0.651,657 3.332,658 3.664,659 3.932,660 4.19,661 4.419,662 4.431,663 4.477,664 4.489,665 4.635,666 4.615,667 5.981,668 0.628,669 340.43,670 3.332,671 4.875,672 5.727,673 6.611,674 7.479,675 8.365,676 9.239,677 10.125,678 11.001,679 11.886,680 13.3,684 2,686 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,714 1,716 2,718 45,719 17,720 1,721 27,723 47,724 17,725 13,726 3,727 3,729 3,730 4,741 13,742 4,753 1,754 1,757 20,758 8,759 4,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 3,810 25,811 2,816 1,818 2,821 1,829 4.4,834 2,836 13.5,837 8.967,838 5.611,839 2.268,840 3.368,841 1.471,842 0.977,843 4.992,844 10.513,845 3.597,846 4.248,847 4.866,848 5.469,849 6.055,850 6.292,851 6.601,852 6.907,853 7.329,854 7.393,855 0.857,856 41,857 9.135,859 3.746,860 7.773,861 17.178,863 13.386,865 2.273,866 56.833,869 1,870 188.338,871 104.165,872 119.275,874 22,877 104.165,878 210.337,879 119.275,880 30.162,881 2.106,882 113.176,883 50.357,884 45.413,885 4.227,886 188.338,888 188.338,889 223.44,890 22,893 188.338,894 22,897 11.05,898 162.034,899 50.357,901 188.338,902 141.275,903 104.165,906 188.338,907 26.621,908 80.668,910 138.151,911 188.338,912 141.275,913 104.165,915 0.581,916 0.351,917 0.192,918 0.107,919 18,920 9,921 0.106,922 5,923 1,924 1.125,925 3.6,926 205.2,927 0.125,928 16,929 116.096,933 17.359,934 7.19,935 3.636,936 1.16,937 141.275,938 9.359,939 12.661,943 3.621,945 65.794,946 433.778,947 35.5,956 45.451,957 51.315,958 0.298,959 0.66,960 0.806,961 0.878,962 0.894,963 0.918,964 4.83,965 1.038,966 5.727,967 5.261,968 4.344,969 4.934,970 1.698,971 6.547,972 4.219,973 6.06,974 1,975 7.296,976 2.735,977 4.007,978 4.856,979 0.325,980 7.455,981 3.824,982 7.383,983 0.748,984 8.96,985 2.565,986 5.953,987 7.213,988 1.422,989 10.537,990 5.722,991 8.742,992 0.333,993 10.677,994 1.273,995 6.382,996 7.913,997 0.393,998 12.231,999 6.089,1000 10.128,1001 0.162,1002 12.428,1003 0.492,1004 7.827,1005 9.779,1006 1.2,1007 14.844,1008 7.497,1009 11.535,1010 -0.376,1011 14.203,1012 0.365,1013 8.616,1014 10.862,1015 0.384,1016 16.886,1017 8.226,1018 12.958,1019 -0.471,1020 15.995,1021 -0.833,1022 9.861,1023 12.518,1024 1.01,1025 19.323,1026 9.434,1027 3.092,1028 -0.55,1029 17.802,1030 -1.081,1031 10.824,1032 13.802,1033 0.351,1034 21.521,1035 10.34,1036 3.014,1037 10.198,1038 19.621,1039 -1.291,1040 11.988,1041 15.362,1042 0.845,1043 23.887,1044 11.464,1045 2.46,1046 10.031,1047 21.448,1048 4.491,1049 13.034,1050 16.75,1051 0.312,1052 26.151,1053 12.454,1054 2.262,1055 7.145,1056 23.284,1057 3.955,1058 14.167,1059 18.268,1060 0.702,1061 28.487,1062 13.543,1063 2.074,1064 6.531,1065 25.126,1066 3.242,1067 15.251,1068 19.707,1069 0.273,1070 30.78,1071 14.574,1072 1.994,1073 5.88,1074 26.973,1075 2.893,1076 16.373,1077 21.207,1078 0.579,1079 33.104,1080 15.649,1081 1.832,1082 5.793,1083 28.825,1084 2.811,1085 17.475,1086 22.673,1087 0.236,1088 35.41,1089 16.699,1090 6650,1091 11468,1092 17.512,1093 29.273,1094 40.128,1095 40.826,1096 42.208,1097 39.959,1098 40.018,1099 53.085,1100 5.618,1101 116.534,1102 37.392,1103 5.381,1104 5.309,1105 6.077,1106 5.116,1107 5.092,1108 7.491,1109 1.776,1110 17.092,1111 4.942,1112 14.231,1113 1.486,1114 1.512,1115 1.563,1116 1.48,1117 1.482,1118 1.966,1119 0.208,1120 4.316,1121 1.385,1122 4.058,1123 4.101,1124 4.032,1125 3.928,1126 5.323,1127 3.948,1128 3.923,1129 3.947,1130 3.881,1131 3.82,1132 4.989,1133 3.831,1134 3.553,1135 3.62,1136 3.475,1137 3.361,1138 4.922,1139 3.381,1140 3.343,1141 3.414,1142 3.221,1143 3.106,1144 4.771,1145 3.122,1146 3.291,1147 3.356,1148 3.132,1149 3.009,1150 4.603,1151 3.028,1152 3.138,1153 3.23,1154 3.006,1155 2.866,1156 4.278,1157 2.859,1158 3.115,1159 3.228,1160 2.888,1161 2.823,1162 4.157,1163 2.852,1164 2.916,1165 3.018,1166 2.735,1167 2.706,1168 4.001,1169 2.702,1170 0.168,1171 0.123,1172 0.241,1173 0.15,1174 0.115,1175 4.543,1176 0.166,1177 3.309,1178 0.034,1179 6.508,1180 0.378,1181 4.043,1182 0.109,1183 3.092,1184 4.491,1185 0.916,1186 10.198,1187 2.942,1188 1.973,1189 1.938,1190 2.038,1191 2.124,1192 1.166,1193 2.1,1194 1.876,1195 1.856,1196 1.961,1197 2.005,1198 1.052,1199 1.992,1200 1.49,1201 1.427,1202 1.693,1203 1.723,1204 0.805,1205 1.716,1206 1.279,1207 1.206,1208 1.591,1209 1.57,1210 0.586,1211 1.572,1212 1.227,1213 1.157,1214 1.535,1215 1.531,1216 0.558,1217 1.538,1218 1.127,1219 1.032,1220 1.513,1221 1.422,1222 0.542,1223 1.462,1224 1.008,1225 0.912,1226 1.292,1227 1.383,1228 0.311,1229 1.364,1230 0.92,1231 0.819,1232 1.268,1233 1.189,1234 0.165,1235 1.23,1236 4.007,1238 5.333,1240 6.862,1242 8.486,1244 10.16,1246 5.215,1250 11.522,1252 0.545,1254 10.731,1257 2.018,1262 28.246,1263 73.698,1264 163.105,1265 199.259,1266 216.869,1267 220.869,1268 226.869,1269 35.377,1270 7.145,1271 112.41,1272 112.41,1273 18,1274 12.42,1275 4.17,1276 3.248,1277 41.776,1278 91,1279 83,1280 0.229,1281 176.999,1282 295.34,1283 423.638,1284 11576,1286 17.974,1287 0.719,1288 0.574,1289 17.974,1290 14.354,1291 12.012,1292 0.445,1293 0.283,1294 7.452,1295 11.336,1296 7.181,1297 6.037,1298 12.012,1299 7.633,1300 10.789,1301 0.284,1302 0.146,1303 10.789,1304 5.531,1305 9.061,1306 0.181,1307 0.077,1308 9.061,1309 3.841,1310 7.619,1311 0.117,1312 0.04,1313 7.619,1314 2.607,1315 6.112,1316 0.075,1317 0.021,1318 6.112,1319 1.724,1320 0.357,1321 76.762,1322 0.239,1323 24.107,1324 0.635,1325 130,1326 410.676,1327 146.276,1328 394.133,1329 543.44,1330 370,1331 153,1332 406.697,1333 169.638,1334 414.962,1335 601.68,1336 385,1337 7.301}
{0 CHEMBL301236,1 1.466,2 8.826,3 3.592,4 12.904,5 97.158,6 6.899,7 0.5,8 3.87,9 4.01,10 3.352,11 3.383,12 5.038,13 3.351,14 4.338,15 4.527,16 3.652,17 3.728,18 5.411,19 3.666,20 4.521,21 4.711,22 3.761,23 3.892,24 5.545,25 3.818,26 4.718,27 4.946,28 3.754,29 3.969,30 5.719,31 3.869,32 4.721,33 4.933,34 3.7,35 4.013,36 5.705,37 3.883,38 4.867,39 5.156,40 3.59,41 3.971,42 5.719,43 3.811,44 4.656,45 4.913,46 3.488,47 3.831,48 5.6,49 3.67,50 4.672,51 4.991,52 3.375,53 3.628,54 5.65,55 3.475,56 0.053,57 0.652,58 9.972,59 3.862,60 14.517,61 5.466,62 0.217,63 0.961,64 16.83,65 6.597,66 25.196,67 9.093,68 0.108,69 1.15,70 19.972,71 7.622,72 21.23,73 10.939,74 0.314,75 1.281,76 25.587,77 9.118,78 40.201,79 12.95,80 0.151,81 1.323,82 24.779,83 9.744,84 33.844,85 13.926,86 0.315,87 1.357,88 30.646,89 10.608,90 44.362,91 15.774,92 0.102,93 1.179,94 23.699,95 9.001,96 34.11,97 13.391,98 0.437,99 1.088,100 25.998,101 7.355,102 56.077,103 11.9,104 39,105 32,106 0.255,107 0.615,108 0.76,109 0.797,110 0.797,111 0.797,112 3.188,113 0.92,114 -4.58,115 -4.51,116 -4.24,119 40,121 3,124 1,133 2,134 2,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 12,169 1,170 4,172 3,173 3,175 1,178 13,180 1,182 6,187 1,189 14,191 1,193 5,195 1,196 1,197 1,198 2,200 2,201 13,204 2,205 1,207 7,212 3,215 12,218 3,221 5,226 3,229 9,231 3,234 4,239 4,241 4,243 4,245 2,246 4,248 1,249 1,251 4,254 1,256 4,260 4,265 4,270 4,273 730,274 15.541,275 15.541,276 15.541,277 15.541,278 15.541,279 13.728,280 25.239,281 9.389,282 15.886,283 11.718,284 11.718,285 11.718,286 11.718,287 11.718,288 8.896,289 35.432,290 4.198,291 12.184,292 4.026,293 1.951,294 1.117,295 0.906,296 0.906,297 0.906,298 3.849,300 1,301 1,302 1,303 409,304 3.082,307 161.248,314 1.255,315 18.792,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 49,327 203,328 4.434,329 3.357,330 6.53,331 4.058,332 3.078,333 4.117,334 0.86,335 10.309,336 3.016,337 4.229,338 3.074,339 6.088,340 3.815,341 2.856,342 3.875,343 0.68,344 8.843,345 2.742,346 3.601,347 2.537,348 5.281,349 3.236,350 2.28,351 2.935,352 0.68,353 6.716,354 2.18,355 3.409,356 2.512,357 5.223,358 3.115,359 2.115,360 2.663,361 0.68,362 6.311,363 2.115,364 3.362,365 2.182,366 4.921,367 2.94,368 1.999,369 2.655,371 5.65,372 1.87,373 2.823,374 1.989,375 4.149,376 2.359,377 1.427,378 1.952,380 3.675,381 1.325,382 2.749,383 1.564,384 3.874,385 2.319,386 1.359,387 1.665,389 2.866,390 1.299,391 2.599,392 1.272,393 3.153,394 2,395 1,396 1.429,398 1.714,399 1,400 2.044,401 1.256,402 3.104,403 1.693,404 0.778,405 0.924,407 1.357,408 0.704,409 1.577,410 0.626,411 2.774,412 1.267,413 0.332,414 0.397,415 0.715,416 0.309,417 1.212,418 0.297,419 2.567,420 0.746,421 -0.186,422 -0.223,423 -0.279,424 -0.169,425 1.091,426 -0.08,427 2.359,428 0.736,429 -0.254,430 -0.36,431 -0.478,432 -0.254,433 0.893,434 -0.176,435 2.322,436 0.532,437 -0.446,438 -0.567,439 -0.944,440 -0.435,441 0.793,442 -0.314,443 2,444 0.392,445 -0.515,446 -0.621,448 -1.242,449 -0.467,450 0.451,451 -0.623,452 1.69,453 0.048,454 -0.916,455 -1.189,457 -2.047,458 -0.875,459 10.933,460 0.475,461 0.503,462 0.022,463 29.5,464 1.283,465 15.5,466 0.674,467 14,468 0.609,469 17.534,470 0.762,471 25.067,472 0.557,473 22.218,474 0.966,475 6.194,476 0.269,477 4.889,478 0.213,479 0.21,481 0.32,485 1.051,486 1.224,487 0.917,488 1.068,489 1.314,490 0.983,491 0.919,492 0.858,493 0.849,494 0.933,495 0.664,496 0.906,497 0.932,498 1.234,499 0.987,500 1.191,501 0.846,502 1.108,503 1.329,504 0.866,505 1.062,506 0.955,507 0.916,508 0.985,509 0.898,510 1.256,511 1.19,512 1.358,513 0.811,514 1.324,515 1.008,516 0.823,517 0.919,518 0.853,519 0.85,520 0.881,521 0.505,522 1.344,523 0.984,524 1.334,525 0.895,526 1.24,527 0.869,528 0.762,529 0.824,530 0.699,531 0.943,532 0.738,533 5,534 0.087,535 2.444,536 1.813,537 1.538,538 0.757,539 0.628,540 0.358,541 0.238,542 0.152,543 4764,544 12752,545 1.946,546 48.9,547 6,548 11,550 1,551 4,555 1.663,556 1.792,557 3.127,558 1.779,560 1,564 65.967,565 1.466,566 3.54,567 4.375,568 4.586,569 4.586,570 4.586,571 2.512,572 3.882,573 4.493,574 3.272,575 827.828,576 7.77,577 9447.83,579 1,581 1,582 247.133,583 1.51,584 4.433,585 0.208,586 0.014,587 0.076,588 0.052,589 0.045,590 0.024,591 0.022,592 0.015,593 0.011,594 0.01,595 0.479,597 1,598 1.365,599 106.719,600 -0.098,601 0.002,602 0.013,603 0.02,604 -0.258,605 0.034,606 0.163,607 0.237,608 0.109,609 0.124,610 0.137,611 0.102,612 -0.043,613 -0.134,614 -0.049,615 -0.132,616 -0.074,617 -0.093,618 -0.11,619 0.144,620 -0.079,621 0.054,622 -0.002,623 -0.002,624 -0.093,625 -0.226,626 -0.261,627 -0.299,628 -0.041,629 -0.301,630 -0.073,631 0.065,632 0.062,633 0.129,634 -0.026,635 0.112,636 0.088,637 -0.397,638 -0.053,639 -0.304,640 -0.058,641 -0.216,642 0.211,643 0.133,644 0.199,645 0.188,646 0.161,647 0.195,648 1.485,649 2.065,650 0.522,651 18.858,652 0.993,653 1.132,654 3.353,655 11.245,656 0.652,657 3.219,658 3.497,659 3.738,660 3.989,661 4.174,662 4.19,663 4.19,664 4.277,665 4.263,666 4.159,667 5.442,668 0.612,669 310.44,670 3.219,671 4.727,672 5.557,673 6.425,674 7.279,675 8.154,676 9.016,677 9.893,678 10.758,679 11.636,680 8.9,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,718 45,719 14,720 1,721 24,723 46,724 18,725 10,726 4,727 2,729 2,730 2,739 3,741 14,742 4,744 2,745 2,749 2,753 1,754 1,757 22,758 5,759 4,760 5,764 4,769 1,770 1,776 1,781 2,794 2,795 2,802 2,806 1,810 23,811 2,816 3,818 1,829 2.2,834 1,836 12.833,837 8.15,838 5.417,839 2.363,840 2.389,841 1.365,842 0.956,843 5.772,844 8.929,845 3.497,846 4.043,847 4.57,848 5.13,849 5.643,850 5.821,851 6.011,852 6.419,853 6.671,854 6.924,855 0.833,856 35,857 8.407,859 3.357,860 7.746,861 15.958,863 12.356,865 2.246,866 51.667,869 1,870 211.88,871 119.186,872 99.365,874 11,877 119.186,878 222.88,879 99.365,880 10.883,881 39.137,882 103.699,883 45.342,884 38.033,885 4.227,886 200.109,888 211.88,889 218.551,890 11,893 211.88,894 11,897 18.55,898 147.477,899 52.524,901 211.88,902 110.365,903 119.186,906 211.88,907 29.816,908 57.835,910 141.899,911 211.88,912 110.365,913 119.186,915 0.557,916 0.333,917 0.195,918 0.109,919 13,920 7,921 0.152,922 7,924 1,925 3.368,926 174.494,928 12,929 94.042,933 17.036,934 7.792,935 4.109,937 110.365,938 5.869,939 8.025,943 5.608,945 65.794,946 441.431,947 32,948 7.63,952 3.722,956 44.687,957 50.939,958 0.267,959 0.645,960 0.797,961 0.835,962 0.835,963 0.835,964 4.7,965 1,966 5.533,967 2.866,968 4.174,969 4.727,970 1.659,971 6.33,972 4.104,973 5.899,974 0.778,975 7.084,976 1.714,977 3.761,978 4.559,980 7.209,981 3.664,982 7.196,983 0.332,984 8.735,985 1.357,986 5.746,987 6.904,988 1.217,989 10.292,990 5.622,991 8.531,992 -0.186,993 10.443,994 0.715,995 6.133,996 7.524,998 11.971,999 5.98,1000 9.896,1001 -0.254,1002 12.187,1003 -0.279,1004 7.596,1005 9.366,1006 0.876,1007 14.572,1008 7.423,1009 11.284,1010 -0.446,1011 13.955,1012 -0.478,1013 8.363,1014 10.359,1016 16.599,1017 8.16,1018 12.689,1019 -0.515,1020 15.741,1021 -0.944,1022 9.611,1023 11.982,1024 0.627,1025 19.025,1026 9.391,1027 3.078,1028 -0.916,1029 17.541,1030 -1.242,1031 10.559,1032 13.165,1034 21.211,1035 10.311,1036 2.856,1037 10.309,1038 19.352,1039 -2.047,1040 11.719,1041 14.681,1042 0.451,1043 23.57,1044 11.453,1045 2.28,1046 8.843,1047 21.172,1048 4.117,1049 12.752,1050 15.964,1052 25.828,1053 12.461,1054 2.115,1055 6.716,1056 22.999,1057 3.875,1058 13.877,1059 17.425,1060 0.326,1061 28.163,1062 13.567,1063 1.999,1064 6.311,1065 24.832,1066 2.935,1067 14.95,1068 18.761,1070 30.455,1071 14.617,1072 1.427,1073 5.65,1074 26.67,1075 2.663,1076 16.062,1077 20.194,1078 0.238,1079 32.781,1080 15.71,1081 1.359,1082 3.675,1083 28.513,1084 2.655,1085 17.154,1086 21.559,1088 35.09,1089 16.781,1090 4957,1091 8201,1092 15.315,1093 29.33,1094 34.988,1095 35.28,1096 36.863,1097 34.434,1098 34.449,1099 45.226,1100 5.8,1101 96.313,1102 33.122,1103 5.21,1104 5.357,1105 6.296,1106 5.127,1107 5.078,1108 7.117,1109 1.72,1110 17.254,1111 5.016,1112 13.595,1113 1.458,1114 1.47,1115 1.536,1116 1.435,1117 1.435,1118 1.884,1119 0.242,1120 4.013,1121 1.38,1122 4.019,1123 4.047,1124 3.969,1125 3.954,1126 5.291,1127 3.954,1128 3.833,1129 3.883,1130 3.794,1131 3.678,1132 4.979,1133 3.7,1134 3.568,1135 3.625,1136 3.426,1137 3.468,1138 4.865,1139 3.451,1140 3.452,1141 3.513,1142 3.314,1143 3.336,1144 4.7,1145 3.323,1146 3.293,1147 3.354,1148 3.147,1149 3.046,1150 4.647,1151 3.062,1152 3.123,1153 3.227,1154 2.962,1155 2.862,1156 4.463,1157 2.867,1158 2.977,1159 3.096,1160 2.8,1161 2.789,1162 4.326,1163 2.769,1164 2.912,1165 2.989,1166 2.74,1167 2.67,1168 3.748,1169 2.687,1170 0.185,1171 0.14,1172 0.272,1173 0.169,1174 0.128,1175 4.434,1176 0.172,1177 3.357,1178 0.036,1179 6.53,1180 0.43,1181 4.058,1182 0.126,1183 3.078,1184 4.117,1185 0.86,1186 10.309,1187 3.016,1188 1.984,1189 1.964,1190 2.084,1191 2.071,1192 1.304,1193 2.074,1194 1.764,1195 1.72,1196 1.869,1197 1.948,1198 1.007,1199 1.926,1200 1.594,1201 1.54,1202 1.826,1203 1.734,1204 0.922,1205 1.769,1206 1.459,1207 1.402,1208 1.674,1209 1.62,1210 0.629,1211 1.647,1212 1.229,1213 1.165,1214 1.573,1215 1.536,1216 0.572,1217 1.548,1218 1.079,1219 0.989,1220 1.364,1221 1.386,1222 0.333,1223 1.384,1224 0.946,1225 0.877,1226 1.27,1227 1.263,1228 0.198,1229 1.276,1230 0.899,1231 0.784,1232 1.234,1233 1.138,1234 0.082,1235 1.188,1236 3.892,1238 5.176,1240 6.668,1242 8.266,1244 9.918,1246 1.681,1250 11.476,1252 2.091,1254 5.565,1262 27.542,1263 65.967,1264 159.32,1265 196.869,1266 206.379,1267 206.379,1268 206.379,1269 40.168,1270 6.54,1271 87.05,1272 87.05,1273 12,1274 12.176,1275 3.907,1276 3.17,1277 44.986,1278 74,1279 76,1280 0.303,1281 176.4,1282 305.11,1283 422.176,1284 4836,1286 16.82,1287 0.731,1288 0.582,1289 16.82,1290 13.38,1291 11.083,1292 0.462,1293 0.307,1294 7.267,1295 10.727,1296 7.011,1297 5.924,1298 11.083,1299 7.359,1300 9.398,1301 0.294,1302 0.164,1303 9.398,1304 5.248,1305 7.519,1306 0.183,1307 0.086,1308 7.519,1309 3.546,1310 6.458,1311 0.122,1312 0.049,1313 6.458,1314 2.595,1315 4.955,1316 0.077,1317 0.026,1318 4.955,1319 1.68,1320 0.463,1321 69.055,1322 0.256,1323 22.296,1324 0.867,1325 112,1326 303.65,1327 120.929,1328 302.519,1329 413.63,1330 282,1331 129,1332 304.517,1333 137.651,1334 315.598,1335 453.39,1336 293,1337 4.745}
{0 CHEMBL301628,1 1.549,2 8.619,3 1.916,4 3.671,5 86.687,6 7.135,7 0.522,8 3.797,9 3.94,10 3.32,11 3.274,12 4.91,13 3.265,14 4.312,15 4.502,16 3.661,17 3.671,18 5.366,19 3.628,20 4.519,21 4.726,22 3.723,23 3.822,24 5.501,25 3.751,26 4.608,27 4.846,28 3.613,29 3.802,30 5.581,31 3.7,32 4.578,33 4.819,34 3.468,35 3.727,36 5.486,37 3.613,38 4.499,39 4.763,40 3.318,41 3.617,42 5.365,43 3.48,44 4.45,45 4.754,46 3.301,47 3.456,48 5.311,49 3.318,50 4.178,51 4.442,52 3.134,53 3.218,54 5.213,55 3.128,56 0.048,57 0.627,58 8.958,59 3.169,60 10.505,61 4.626,62 0.22,63 0.951,64 16.121,65 5.84,66 23.531,67 8.24,68 0.183,69 1.127,70 19.955,71 6.85,72 21.023,73 10.271,74 0.246,75 1.127,76 22.652,77 7.44,78 34.78,79 11.145,80 0.28,81 1.033,82 22.522,83 7.207,84 32.608,85 10.686,86 0.2,87 0.95,88 20.793,89 6.597,90 26.808,91 10.202,92 0.305,93 0.827,94 20.747,95 6.327,96 30.273,97 10.131,98 0.242,99 0.707,100 15.27,101 3.872,102 27.362,103 6.392,104 11,105 32,106 0.277,107 0.661,108 0.851,109 0.878,110 0.878,111 0.878,112 3.104,113 0.91,114 -3.51,115 -3.48,116 -3.33,119 37.5,121 3,124 1,125 1,139 2,140 3,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 7,169 1,170 3,172 3,173 3,175 3,178 7,180 1,182 4,185 1,187 4,189 6,191 1,193 5,195 1,196 1,197 1,198 3,200 2,201 4,204 2,205 1,207 6,212 4,215 3,218 3,221 2,226 3,229 1,231 2,233 2,234 2,236 1,237 1,239 3,243 3,246 2,249 2,250 1,251 2,253 1,256 2,262 1,263 1,265 1,270 1,273 532,274 14.248,275 14.248,276 14.248,277 14.248,278 14.248,279 12.695,280 24.026,281 8.372,282 14.66,283 11.303,284 11.303,285 11.303,286 11.303,287 11.303,288 8.871,289 35.105,290 3.909,291 11.873,292 3.773,293 1.629,294 0.569,295 0.419,296 0.419,297 0.419,298 3.785,300 1,301 1,302 1,303 388,304 2.345,307 163.345,311 86.213,314 1.197,315 17.131,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 45.5,327 181,328 4.437,329 3.315,330 6.535,331 4.061,332 3.087,333 4.117,334 0.86,335 10.331,336 3.009,337 4.229,338 3.064,339 6.088,340 3.817,341 2.858,342 3.876,343 0.68,344 8.844,345 2.744,346 3.606,347 2.522,348 5.284,349 3.253,350 2.29,351 2.939,352 0.4,353 6.736,354 2.206,355 3.378,356 2.493,357 5.208,358 3.052,359 2.099,360 2.667,362 6.229,363 1.991,364 3.36,365 2.165,366 4.922,367 2.945,368 2.004,369 2.616,371 5.656,372 1.875,373 2.824,374 1.721,375 4.151,376 2.404,377 1.455,378 1.953,380 3.692,381 1.382,382 2.484,383 1.531,384 3.863,385 2.325,386 1.37,387 1.483,389 3.09,390 1.302,391 2.173,392 1.424,393 3.599,394 2.039,395 1.112,396 1.157,398 2.683,399 1.024,400 1.613,401 0.848,402 3.034,403 1.323,404 0.409,405 0.47,407 0.891,408 0.367,409 1.535,410 0.612,411 2.861,412 1.262,413 0.342,414 0.399,415 0.612,416 0.316,417 1,419 2.42,420 0.701,421 -0.254,422 -0.301,423 -0.607,424 -0.242,425 0.797,426 -0.293,427 2.359,428 0.405,429 -0.514,430 -0.621,431 -1.242,432 -0.466,433 0.731,434 -0.314,435 2.324,436 0.392,437 -0.563,438 -0.679,439 -1.443,440 -0.541,441 0.459,442 -0.45,443 2,444 0.193,445 -0.765,446 -0.878,448 -1.963,449 -0.729,450 0.172,451 -0.76,452 1.906,453 -0.036,454 -1,455 -1.149,457 -2.424,458 -0.954,459 9.833,460 0.468,461 0.503,462 0.024,463 28,464 1.333,465 14,466 0.667,467 14,468 0.667,469 15.401,470 0.733,471 23.167,472 0.579,473 18.437,474 0.878,475 5.448,476 0.259,477 4.721,478 0.225,479 0.132,481 0.356,485 1.092,486 1.304,487 0.873,488 1.054,489 1.21,490 0.937,491 0.942,492 0.918,493 0.834,494 0.934,495 0.576,496 0.892,497 0.874,498 1.216,499 0.98,500 1.156,501 0.776,502 1.094,503 0.981,504 1.019,505 1.08,506 1.145,507 0.918,508 1.129,509 1.37,510 1.02,511 1.156,512 1.076,513 1.071,514 1.102,515 0.958,516 1.091,517 1.084,518 1.15,519 0.97,520 1.14,521 0.439,522 0.95,523 0.613,524 0.869,525 0.406,526 0.791,527 1.157,528 1.126,529 1.101,530 1.062,531 1.322,532 1.069,533 4.5,534 0.025,535 2.222,536 1.563,537 1.32,538 0.472,539 0.526,540 0.267,541 0.152,542 0.129,543 4183,544 10673,545 2.074,546 47.5,547 4,548 7,550 1,551 5,553 2,555 1.633,556 1.938,557 3.091,558 2.798,559 1,560 1,562 1,564 61.954,565 1.549,566 3.693,567 4.753,568 4.903,569 4.903,570 4.903,571 2.475,572 4.107,573 4.367,574 3.197,575 671.433,576 7.487,577 7022.83,578 1,579 1,581 1,582 212.877,583 1.418,584 4.322,585 0.196,586 0.006,587 0.069,588 0.047,589 0.047,590 0.02,591 0.026,592 0.013,593 0.009,594 0.014,595 0.449,596 0.5,597 1,598 0.819,599 93.966,600 -0.151,601 -0.027,602 0.024,603 0.045,604 -0.188,605 0.067,606 0.087,607 0.208,608 0.102,609 0.135,610 0.225,611 0.114,612 -0.011,613 -0.121,614 -0.056,615 -0.099,616 -0.019,617 -0.085,618 -0.052,619 0.002,620 -0.13,621 -0.133,622 -0.016,623 -0.139,624 -0.222,625 -0.067,626 -0.18,627 -0.064,628 -0.155,629 -0.114,630 -0.098,631 -0.145,632 -0.125,633 -0.152,634 -0.109,635 -0.143,636 0.407,637 -0.132,638 0.383,639 0.104,640 0.398,641 0.217,642 -0.011,643 -0.132,644 -0.094,645 -0.172,646 -0.095,647 -0.157,648 1.469,649 1.995,650 0.762,651 14.444,652 1.001,653 1.14,654 2.276,655 5.182,656 0.645,657 3.178,658 3.497,659 3.761,660 4.025,661 4.263,662 4.248,663 4.344,664 4.431,665 4.511,666 4.431,667 5.104,668 0.613,669 285.39,670 3.178,671 4.71,672 5.557,673 6.435,674 7.299,675 8.18,676 9.051,677 9.932,678 10.806,679 11.688,680 12.5,684 2,685 1,690 2,695 3,696 2,700 7,702 12,711 2,712 1,716 1,718 40,719 12,720 1,721 23,723 42,724 15,725 10,726 4,727 2,729 3,730 4,736 2,739 3,741 10,742 5,753 1,754 1,757 19,758 6,759 5,760 6,764 5,769 0.667,770 1,776 1,781 3,785 1,802 2,806 1,810 21,811 2,816 4,817 1,818 1,829 2.5,834 1,836 10.833,837 7.233,838 4.667,839 2.258,840 2.283,841 1.335,842 1.003,843 3.948,844 9.102,845 3.401,846 4.007,847 4.559,848 5.106,849 5.63,850 5.766,851 6.013,852 6.365,853 6.715,854 6.922,855 0.833,856 33,857 7.711,859 3.216,860 7.675,861 14.838,863 12.092,865 2.175,866 45.667,867 0.001,870 164.795,871 70.376,872 117.376,874 11,877 70.376,878 175.795,879 117.376,880 10.883,881 9.709,882 84.747,883 63.353,884 37.604,885 4.227,886 153.024,888 164.795,889 187.752,890 11,893 141.253,894 34.542,897 20.656,898 115.515,899 51.582,901 164.795,902 128.376,903 70.376,906 164.795,907 31.493,908 38.883,909 18.011,910 110.365,911 164.795,912 128.376,913 70.376,915 0.578,916 0.343,917 0.191,918 0.107,919 16,920 7,921 0.071,922 3,923 1,924 1.125,925 3.306,926 162.081,927 0.125,928 16,929 92.239,933 14.108,934 5.876,935 2.939,937 128.376,938 5.911,939 8.01,943 5.891,945 83.805,946 363.548,947 29,956 40.022,957 45.607,958 0.291,959 0.694,960 0.893,961 0.921,962 0.921,963 0.921,964 4.635,965 1.112,966 5.541,967 3.09,968 4.174,969 4.691,970 1.315,971 6.344,972 4.088,973 5.839,974 0.409,975 7.094,976 2.683,977 3.761,978 4.559,980 7.209,981 3.649,982 7.151,983 0.342,984 8.744,985 0.891,986 5.759,987 6.888,988 0.945,989 10.3,990 5.608,991 8.496,992 -0.254,993 10.451,994 0.612,995 6.133,996 7.524,998 11.973,999 5.956,1000 9.871,1001 -0.514,1002 12.193,1003 -0.607,1004 7.614,1005 9.36,1006 0.701,1007 14.58,1008 7.41,1009 11.266,1010 -0.563,1011 13.96,1012 -1.242,1013 8.369,1014 10.359,1016 16.609,1017 8.137,1018 12.678,1019 -0.765,1020 15.745,1021 -1.443,1022 9.632,1023 11.98,1024 0.525,1025 19.038,1026 9.376,1027 3.087,1028 -1,1029 17.545,1030 -1.963,1031 10.573,1032 13.165,1034 21.226,1035 10.29,1036 2.858,1037 10.331,1038 19.356,1039 -2.424,1040 11.743,1041 14.681,1042 0.395,1043 23.587,1044 11.435,1045 2.29,1046 8.844,1047 21.176,1048 4.117,1049 12.774,1050 15.964,1052 25.849,1053 12.439,1054 2.099,1055 6.736,1056 23.003,1057 3.876,1058 13.905,1059 17.426,1060 0.298,1061 28.185,1062 13.547,1063 2.004,1064 6.229,1065 24.837,1066 2.939,1067 14.978,1068 18.762,1070 30.48,1071 14.593,1072 1.455,1073 5.656,1074 26.676,1075 2.667,1076 16.096,1077 20.195,1078 0.224,1079 32.808,1080 15.686,1081 1.37,1082 3.692,1083 28.519,1084 2.616,1085 17.188,1086 21.56,1088 35.12,1089 16.754,1090 4098,1091 6644,1092 15.315,1093 25.813,1094 34.061,1095 34.728,1096 35.439,1097 34.004,1098 34.054,1099 43.352,1100 3.88,1101 97.53,1102 32.433,1103 5.382,1104 5.315,1105 6.217,1106 5.13,1107 5.087,1108 7.117,1109 1.72,1110 17.266,1111 5.009,1112 9.763,1113 1.481,1114 1.51,1115 1.541,1116 1.478,1117 1.481,1118 1.885,1119 0.169,1120 4.24,1121 1.41,1122 4.03,1123 4.062,1124 3.977,1125 3.948,1126 5.291,1127 3.951,1128 3.843,1129 3.899,1130 3.801,1131 3.682,1132 4.979,1133 3.704,1134 3.53,1135 3.592,1136 3.394,1137 3.383,1138 4.853,1139 3.377,1140 3.295,1141 3.357,1142 3.156,1143 3.043,1144 4.46,1145 3.062,1146 3.121,1147 3.225,1148 2.974,1149 2.887,1150 4.393,1151 2.893,1152 2.993,1153 3.098,1154 2.805,1155 2.763,1156 4.126,1157 2.749,1158 2.968,1159 3.085,1160 2.775,1161 2.657,1162 3.745,1163 2.681,1164 2.779,1165 2.88,1166 2.619,1167 2.55,1168 3.651,1169 2.564,1170 0.193,1171 0.144,1172 0.284,1173 0.177,1174 0.134,1175 4.437,1176 0.179,1177 3.315,1178 0.037,1179 6.535,1180 0.449,1181 4.061,1182 0.131,1183 3.087,1184 4.117,1185 0.86,1186 10.331,1187 3.009,1188 1.987,1189 1.962,1190 2.096,1191 2.094,1192 1.361,1193 2.096,1194 1.774,1195 1.726,1196 1.895,1197 1.966,1198 1.122,1199 1.944,1200 1.518,1201 1.46,1202 1.715,1203 1.707,1204 0.819,1205 1.719,1206 1.228,1207 1.164,1208 1.569,1209 1.531,1210 0.588,1211 1.542,1212 1.072,1213 0.987,1214 1.345,1215 1.383,1216 0.528,1217 1.377,1218 0.987,1219 0.89,1220 1.318,1221 1.263,1222 0.372,1223 1.291,1224 0.886,1225 0.769,1226 1.22,1227 1.249,1228 0.079,1229 1.26,1230 0.743,1231 0.649,1232 1.067,1233 1.042,1235 1.063,1236 3.85,1238 5.165,1240 6.688,1242 8.31,1244 9.98,1246 1.691,1250 11.43,1252 3.837,1253 3.401,1254 5.495,1262 24.509,1263 61.954,1264 147.704,1265 190.122,1266 196.122,1267 196.122,1268 196.122,1269 26.974,1270 6.819,1271 99.08,1272 99.08,1273 18,1274 12.224,1275 3.7,1276 2.807,1277 32.129,1278 64,1279 64,1280 0.25,1281 152.879,1282 257.13,1283 364.784,1284 7467,1286 14.82,1287 0.706,1288 0.572,1289 14.82,1290 12.018,1291 10.169,1292 0.442,1293 0.303,1294 6.864,1295 9.742,1296 6.687,1297 5.566,1298 10.169,1299 6.976,1300 9.105,1301 0.285,1302 0.162,1303 9.105,1304 5.178,1305 7.615,1306 0.181,1307 0.088,1308 7.615,1309 3.699,1310 6.445,1311 0.117,1312 0.049,1313 6.445,1314 2.68,1315 5.329,1316 0.076,1317 0.028,1318 5.329,1319 1.956,1320 0.383,1321 64.023,1322 0.256,1323 20.578,1324 0.712,1325 110,1326 299.983,1327 120.649,1328 294.055,1329 407.75,1330 276,1331 129,1332 306.207,1333 139.373,1334 313.531,1335 455.02,1336 293,1337 4.119}
{0 CHEMBL301629,1 1.446,2 8.826,3 3.632,4 13.193,5 95.191,6 6.648,7 0.48,8 3.928,9 4.07,10 3.392,11 3.441,12 4.974,13 3.403,14 4.476,15 4.674,16 3.799,17 3.852,18 5.471,19 3.792,20 4.726,21 4.925,22 3.794,23 4.008,24 5.672,25 3.913,26 4.858,27 5.131,28 3.706,29 4.022,30 5.7,31 3.88,32 4.675,33 4.889,34 3.657,35 3.977,36 5.571,37 3.846,38 4.825,39 5.094,40 3.551,41 3.966,42 5.608,43 3.801,44 4.736,45 5.018,46 3.485,47 3.852,48 5.501,49 3.677,50 4.731,51 5.048,52 3.364,53 3.681,54 5.589,55 3.509,56 0.059,57 0.698,58 11.068,59 4.25,60 11.79,61 6.145,62 0.196,63 1.09,64 19.764,65 7.776,66 25.163,67 10.887,68 0.254,69 1.312,70 25.843,71 9.165,72 30.038,73 13.199,74 0.325,75 1.383,76 29.811,77 10.532,78 41.487,79 15.627,80 0.152,81 1.269,82 24.033,83 9.286,84 26.199,85 13.537,86 0.264,87 1.324,88 28.759,89 10.118,90 32.185,91 15.165,92 0.137,93 1.209,94 25.988,95 9.458,96 22.771,97 14.402,98 0.437,99 1.118,100 27.04,101 7.672,102 47.321,103 12.592,104 28,105 37,106 0.25,107 0.582,108 0.753,109 0.82,110 0.827,111 0.835,112 3.189,113 0.97,114 -4.74,115 -4.66,116 -4.37,119 38.3,120 3,121 4,129 1,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 7,172 3,173 3,175 1,178 14,180 1,182 5,187 1,189 14,191 1,193 4,195 1,196 1,197 1,198 2,200 2,201 14,204 2,205 1,207 6,212 3,215 13,218 3,221 5,226 3,229 8,231 3,234 4,239 4,241 5,243 4,245 2,246 2,248 1,249 1,251 3,256 3,260 6,265 5,270 5,273 686,274 14.989,275 14.989,276 14.989,277 14.989,278 14.989,279 13.435,280 22.138,281 8.686,282 15.282,283 12.34,284 12.34,285 12.34,286 12.34,287 12.34,288 9.963,289 30.749,290 4.107,291 12.85,292 4.108,293 2.191,294 1.203,295 0.814,296 0.772,297 0.729,298 3.863,300 1,301 1,302 1,303 429,304 3.082,306 50.415,307 129.527,310 90.343,314 1.255,315 18.366,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 49,327 203,328 4.556,329 3.698,330 6.924,331 4.322,332 3.37,333 4.154,334 0.86,335 11.728,336 3.208,337 4.245,338 3.14,339 6.299,340 3.883,341 2.911,342 3.879,343 0.68,344 9.546,345 2.831,346 4.019,347 2.948,348 6.084,349 3.745,350 2.776,351 3.185,353 8.82,354 2.683,355 3.567,356 2.504,357 5.282,358 3.214,359 2.255,360 2.868,362 6.701,363 2.165,364 3.36,365 2.271,366 5.177,367 2.997,368 2.022,369 2.651,371 6.143,372 1.979,373 3.266,374 2.142,375 4.921,376 2.914,377 1.95,378 2.484,380 5.643,381 1.857,382 2.821,383 1.622,384 4.182,385 2.349,386 1.416,387 1.95,389 3.68,390 1.318,391 2.262,392 1.504,393 4.058,394 2.174,395 1.197,396 1.252,398 2.889,399 1.165,400 1.842,401 0.932,402 3.224,403 1.642,404 0.703,405 0.771,407 1.506,408 0.654,409 1.539,410 0.597,411 3.099,412 1.263,413 0.32,414 0.376,415 0.778,416 0.3,417 1.072,418 0.006,419 2.788,420 0.809,421 -0.187,422 -0.221,423 -0.43,424 -0.186,425 0.817,426 -0.162,427 2.574,428 0.555,429 -0.422,430 -0.486,431 -1.01,432 -0.412,433 0.773,434 -0.314,435 2.511,436 0.392,437 -0.515,438 -0.621,439 -1.242,440 -0.467,441 0.474,442 -0.327,443 2.359,444 0.318,445 -0.626,446 -0.689,448 -1.742,449 -0.588,450 0.302,451 -0.758,452 2.1,454 -1,455 -1,457 -2.755,458 -0.948,459 10.933,460 0.475,461 0.796,462 0.035,463 28,464 1.217,465 13.5,466 0.587,467 14.5,468 0.63,469 21.677,470 0.942,471 25.667,472 0.546,473 18.284,474 0.795,475 4.929,476 0.214,477 5.947,478 0.259,479 0.21,480 0.046,481 0.32,485 1.024,486 1.251,487 0.934,488 1.102,489 1.273,490 1.014,491 0.714,492 0.923,493 0.73,494 0.997,495 0.423,496 0.892,497 1.591,498 1.181,499 1.201,500 1.171,501 1.09,502 1.164,503 0.919,504 0.806,505 0.917,506 0.887,507 0.793,508 0.905,509 0.876,510 1.264,511 1.18,512 1.335,513 0.865,514 1.305,515 1.012,516 1.023,517 1.076,518 1.076,519 0.907,520 1.091,521 0.47,522 1.231,523 0.873,524 1.194,525 0.525,526 1.101,527 0.857,528 0.857,529 0.898,530 0.816,531 1.073,532 0.847,533 7,534 0.107,535 2.667,536 2.354,537 1.618,538 0.869,539 0.684,540 0.367,541 0.332,542 0.141,543 5136,544 11618,545 2.006,546 51.1,547 9,548 2,550 1,551 4,553 8,555 1.661,556 1.828,557 3.129,558 1.779,560 1,564 67.968,565 1.446,566 3.363,567 4.352,568 4.74,569 4.783,570 4.826,571 2.512,572 4.35,573 4.495,574 3.267,575 826.562,576 7.758,577 9263.56,579 1,581 1,582 261.066,583 1.72,584 4.418,585 0.28,586 0.018,587 0.072,588 0.067,589 0.051,590 0.029,591 0.026,592 0.015,593 0.017,594 0.009,595 0.584,597 1,598 1.069,599 106.331,600 -0.085,601 0.024,602 0.033,603 0.044,604 -0.219,605 0.057,606 0.281,607 0.192,608 0.243,609 0.098,610 0.37,611 0.155,612 -0.23,613 -0.11,614 -0.203,615 -0.111,616 -0.166,617 -0.152,618 0.001,619 0.151,620 0.052,621 0.113,622 0.071,623 0.09,624 -0.101,625 -0.187,626 -0.239,627 -0.247,628 -0.082,629 -0.259,630 -0.109,631 -0.071,632 -0.114,633 -0.068,634 -0.096,635 -0.092,636 0.118,637 -0.307,638 0.061,639 -0.176,640 0.132,641 -0.083,642 0.197,643 0.042,644 0.102,645 0.069,646 0.033,647 0.076,648 1.456,649 2.657,650 0.652,651 17.629,652 0.991,653 1.135,654 3.511,655 12.324,656 0.64,657 3.258,658 3.638,659 3.85,660 4.174,661 4.407,662 4.454,663 4.564,664 4.691,665 4.691,666 4.682,667 5.379,668 0.597,669 312.46,670 3.258,671 4.828,672 5.673,673 6.586,674 7.456,675 8.371,676 9.254,677 10.168,678 11.058,679 11.971,680 8.5,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,718 47,719 12,720 1,721 25,723 49,724 18,725 10,726 4,727 2,729 3,730 4,734 3,736 1,737 1,739 4,741 10,742 8,743 1,753 1,754 1,757 24,758 5,759 4,760 5,764 4,769 0.667,770 1,776 1,780 1,781 2,784 1,802 2,806 3,810 23,811 2,816 4,818 1,822 1,829 2.1,834 1,836 12.583,837 9.233,838 4.917,839 2.946,840 2.269,841 1.324,842 0.967,843 4.196,844 9.274,845 3.466,846 4.094,847 4.6,848 5.187,849 5.715,850 5.902,851 6.179,852 6.577,853 6.819,854 7.087,855 0.833,856 35,857 8.489,859 3.566,860 7.605,861 16.514,863 13.724,865 2.105,866 48.417,869 1,870 235.422,871 86.826,872 99.365,874 11,877 86.826,878 246.422,879 99.365,880 26.476,881 10.138,882 84.747,883 45.342,884 38.033,885 4.227,886 223.651,888 235.422,889 186.192,890 11,893 141.253,894 105.169,897 47.56,898 105.061,899 33.571,901 235.422,902 110.365,903 86.826,906 235.422,907 32.351,908 54.476,910 110.365,911 235.422,912 110.365,913 86.826,915 0.593,916 0.328,917 0.185,918 0.11,919 19,920 9,921 0.082,922 4,923 1,924 1.133,925 3.4,926 186.52,927 0.133,928 15,929 102.042,933 16.067,934 6.007,935 3.423,937 110.365,938 6.156,939 8.096,943 6.413,945 65.794,946 432.614,947 31,956 46.571,957 53.355,958 0.26,959 0.605,960 0.783,961 0.853,962 0.861,963 0.869,964 4.745,965 1.197,966 5.727,967 3.68,968 4.317,969 4.779,970 1.225,971 6.597,972 4.24,973 5.99,974 0.703,975 7.327,976 2.889,977 4.205,978 4.783,980 7.766,981 4.085,982 7.334,983 0.32,984 9.029,985 1.506,986 6.028,987 6.983,988 0.925,989 10.769,990 5.874,991 8.706,992 -0.187,993 10.789,994 0.778,995 6.648,996 7.681,998 12.691,999 6.44,1000 10.103,1001 -0.422,1002 12.584,1003 -0.43,1004 8.043,1005 9.455,1006 0.697,1007 15.293,1008 7.804,1009 11.518,1010 -0.515,1011 14.403,1012 -1.01,1013 8.98,1014 10.48,1016 17.52,1017 8.683,1018 12.946,1019 -0.626,1020 16.24,1021 -1.242,1022 10.227,1023 12.072,1024 0.525,1025 20.002,1026 9.893,1027 3.37,1028 -1,1029 18.091,1030 -1.742,1031 11.304,1032 13.27,1034 22.357,1035 10.914,1036 2.911,1037 11.728,1038 19.954,1039 -2.755,1040 12.504,1041 14.773,1042 0.395,1043 24.807,1044 12.071,1045 2.776,1046 9.546,1047 21.825,1048 4.154,1049 13.644,1050 16.065,1052 27.216,1053 13.156,1054 2.255,1055 8.82,1056 23.704,1057 3.879,1058 14.833,1059 17.522,1060 0.298,1061 29.661,1062 14.297,1063 2.022,1064 6.701,1065 25.59,1066 3.185,1067 16.003,1068 18.867,1070 32.094,1071 15.413,1072 1.95,1073 6.143,1074 27.481,1075 2.868,1076 17.193,1077 20.3,1078 0.224,1079 34.542,1080 16.553,1081 1.416,1082 5.643,1083 29.377,1084 2.651,1085 18.378,1086 21.674,1088 36.987,1089 17.685,1090 5110,1091 7813,1092 16.008,1093 30.091,1094 38.156,1095 38.522,1096 39.301,1097 37.804,1098 37.839,1099 47.141,1100 3.08,1101 114.869,1102 36.319,1103 5.406,1104 5.698,1105 6.686,1106 5.391,1107 5.37,1108 7.154,1109 1.72,1110 18.822,1111 5.208,1112 13.426,1113 1.526,1114 1.541,1115 1.572,1116 1.512,1117 1.514,1118 1.886,1119 0.123,1120 4.595,1121 1.453,1122 4.057,1123 4.08,1124 4.006,1125 3.983,1126 5.291,1127 3.984,1128 3.852,1129 3.904,1130 3.813,1131 3.693,1132 4.979,1133 3.715,1134 3.634,1135 3.694,1136 3.496,1137 3.508,1138 4.861,1139 3.496,1140 3.501,1141 3.57,1142 3.336,1143 3.363,1144 4.463,1145 3.348,1146 3.182,1147 3.273,1148 3.045,1149 2.984,1150 4.331,1151 2.989,1152 3.007,1153 3.127,1154 2.846,1155 2.858,1156 4.088,1157 2.834,1158 3.003,1159 3.089,1160 2.802,1161 2.704,1162 3.807,1163 2.725,1164 2.874,1165 3.009,1166 2.684,1167 2.618,1168 3.742,1169 2.594,1170 0.182,1171 0.148,1172 0.277,1173 0.173,1174 0.135,1175 4.556,1176 0.166,1177 3.698,1178 0.034,1179 6.924,1180 0.469,1181 4.322,1182 0.128,1183 3.37,1184 4.154,1185 0.86,1186 11.728,1187 3.208,1188 1.964,1189 1.942,1190 2.072,1191 2.053,1192 1.333,1193 2.056,1194 1.756,1195 1.71,1196 1.917,1197 1.933,1198 1.175,1199 1.92,1200 1.671,1201 1.621,1202 1.891,1203 1.847,1204 1.095,1205 1.87,1206 1.535,1207 1.468,1208 1.763,1209 1.723,1210 0.862,1211 1.752,1212 1.168,1213 1.102,1214 1.417,1215 1.427,1216 0.562,1217 1.426,1218 1.04,1219 0.959,1220 1.41,1221 1.302,1222 0.477,1223 1.308,1224 0.934,1225 0.812,1226 1.389,1227 1.252,1228 0.469,1229 1.304,1230 0.921,1231 0.804,1232 1.248,1233 1.239,1234 0.252,1235 1.302,1236 3.932,1238 5.293,1239 2.398,1240 6.832,1241 4.844,1242 8.458,1243 7.034,1244 10.131,1246 6.452,1250 11.535,1252 3.74,1254 6.157,1258 -0.132,1262 28.068,1263 67.968,1264 158.069,1265 204.536,1266 222.801,1267 224.801,1268 226.801,1269 35.74,1270 7.006,1271 87.05,1272 87.05,1273 17,1274 12.488,1275 3.7,1276 2.807,1277 36.714,1278 74,1279 76,1280 0.249,1281 174.861,1282 298.03,1283 418.422,1284 9000,1286 16.613,1287 0.722,1288 0.609,1289 16.613,1290 14.018,1291 10.876,1292 0.435,1293 0.323,1294 8.005,1295 10.548,1296 7.661,1297 6.441,1298 10.876,1299 8.083,1300 10.774,1301 0.291,1302 0.185,1303 10.774,1304 6.847,1305 7.991,1306 0.174,1307 0.09,1308 7.991,1309 4.128,1310 7.088,1311 0.111,1312 0.05,1313 7.088,1314 3.207,1315 5.788,1316 0.071,1317 0.028,1318 5.788,1319 2.247,1320 0.381,1321 67.458,1322 0.25,1323 22.218,1324 0.712,1325 124,1326 299.65,1327 134.922,1328 297.813,1329 417.03,1330 278,1331 145,1332 323.245,1333 154.98,1334 330.671,1335 481.35,1336 309,1337 5.004}
{0 CHEMBL301769,1 1.461,2 9.643,3 3.202,4 10.254,5 109.305,6 8.166,7 0.719,8 3.945,9 4.073,10 3.601,11 3.527,12 5.141,13 3.529,14 4.411,15 4.565,16 3.984,17 3.915,18 5.595,19 3.9,20 4.679,21 4.865,22 4.121,23 4.097,24 5.793,25 4.067,26 4.738,27 4.939,28 4.04,29 4.123,30 5.827,31 4.058,32 4.797,33 5.012,34 3.961,35 4.148,36 5.809,37 4.054,38 4.769,39 5.018,40 3.851,41 4.029,42 5.76,43 3.929,44 4.606,45 4.851,46 3.753,47 3.879,48 5.6,49 3.796,50 4.401,51 4.632,52 3.636,53 3.696,54 5.472,55 3.636,56 0.047,57 0.75,58 7.611,59 3.288,60 10.978,61 4.052,62 0.175,63 1.185,64 13.215,65 5.662,66 20.373,67 7.261,68 0.269,69 1.506,70 19.064,71 7.304,72 27.163,73 9.518,74 0.306,75 1.54,76 21.056,77 8.412,78 33.289,79 11.13,80 0.201,81 1.559,82 23.324,83 9.507,84 33.512,85 12.8,86 0.298,87 1.479,88 25.208,89 9.354,90 38.848,91 12.991,92 0.188,93 1.262,94 21.277,95 7.776,96 28.725,97 10.816,98 0.18,99 1.063,100 16.529,101 5.858,102 25.129,103 7.996,104 5,105 46,106 0.246,107 0.595,108 0.722,109 0.797,110 0.812,111 0.812,112 3.376,113 0.832,114 -4.5,115 -4.42,116 -4.17,119 46.7,125 1,134 2,139 8,140 2,141 2,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 11,169 2,170 4,172 3,173 3,178 12,181 4,182 6,184 1,185 1,189 11,192 2,193 2,195 3,196 3,197 1,200 2,201 11,205 1,207 4,209 1,210 1,215 11,220 2,221 10,223 1,224 1,229 7,234 8,241 3,246 10,248 1,249 1,251 4,256 4,260 12,265 6,270 6,273 1168,274 19.309,275 19.309,276 19.309,277 19.309,278 19.309,279 16.413,280 19.714,281 11.326,282 19.686,283 15.841,284 15.841,285 15.841,286 15.841,287 15.841,288 11.497,289 29.264,290 5.404,291 16.506,292 4.031,293 1.957,294 1.2,295 0.756,296 0.667,297 0.667,298 4.092,300 1,301 1,302 1,303 607,304 2.449,307 217.449,308 60.131,311 98.645,312 191.729,314 1.362,315 19.664,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 59.5,327 270,328 4.548,329 3.411,330 6.806,331 4.162,332 3.204,333 4.491,334 0.916,335 11.262,336 3.076,337 4.474,338 3.115,339 6.501,340 4.013,341 3.069,342 4.073,343 0.172,344 10.172,345 2.894,346 4.045,347 2.67,348 6.074,349 3.633,350 2.639,351 3.665,353 8.722,354 2.621,355 3.779,356 2.614,357 5.431,358 3.375,359 2.423,360 3.237,362 7.123,363 2.309,364 3.456,365 2.231,366 5.141,367 3.055,368 2.116,369 2.811,371 6.127,372 1.986,373 3.422,374 2.115,375 5.061,376 2.939,377 2.01,378 2.738,380 5.797,381 1.863,382 3.293,383 2.001,384 4.952,385 2.841,386 1.9,387 2.52,389 5.645,390 1.778,391 3.027,392 1.549,393 4.247,394 2.536,395 1.54,396 2.246,398 3.625,399 1.534,400 2.867,401 1.414,402 3.856,403 2.414,404 1.414,405 2.03,407 3.301,408 1.414,409 2.736,410 1.331,411 3.709,412 2.28,413 1.289,414 1.839,415 2.942,416 1.277,417 2.454,418 1.059,419 3.607,420 1.92,421 1.008,422 1.434,423 2.565,424 0.918,425 2.353,426 0.937,427 3.533,428 1.821,429 0.845,430 1.188,431 2.161,432 0.823,433 2.087,434 0.646,435 3.143,436 1.572,437 0.591,438 0.861,439 1.43,440 0.579,441 1.471,442 0.264,443 2.902,444 1.032,445 0.107,446 0.14,448 0.273,449 0.098,450 1.102,451 -0.126,452 2.661,453 0.804,454 -0.184,455 -0.223,457 -0.457,458 -0.181,459 13.3,460 0.475,461 0.657,462 0.023,463 44.25,464 1.58,465 25,466 0.893,467 19.25,468 0.688,469 18.203,470 0.65,471 27.5,472 0.611,473 32.7,474 1.168,475 8.75,476 0.312,477 4.937,478 0.176,479 0.06,481 0.368,485 1.077,486 1.19,487 0.728,488 0.865,489 1.226,490 0.768,491 0.698,492 1.036,493 0.751,494 0.951,495 0.522,496 0.877,497 0.961,498 0.99,499 0.9,500 0.93,501 0.762,502 0.91,503 0.814,504 0.885,505 1.039,506 1.04,507 0.621,508 1.067,509 0.856,510 1.027,511 1.104,512 1.162,513 0.892,514 1.169,515 0.828,516 0.854,517 0.993,518 0.978,519 0.896,520 1.004,521 0.931,522 0.998,523 0.909,524 0.955,525 0.797,526 0.934,527 1.073,528 1.026,529 0.947,530 0.942,531 1.071,532 0.929,533 5,534 0.161,535 3.111,536 2.063,537 2.007,538 0.726,539 0.403,540 0.421,541 0.372,542 0.185,543 9536,544 25001,545 2.2,546 37.8,548 12,550 1,551 4,555 1.715,556 2.1,557 3.2,558 1.662,559 1,560 1,564 65.756,565 1.461,566 3.535,567 4.292,568 4.736,569 4.825,570 4.825,571 2.609,572 4.307,573 4.783,574 3.372,575 1274.49,576 8.342,577 16083.6,579 1,581 1,582 247.133,583 1.264,584 4.757,585 0.156,586 0.01,587 0.068,588 0.04,589 0.043,590 0.017,591 0.011,592 0.012,593 0.012,594 0.007,595 0.374,596 0.17,597 0.88,598 0.444,599 137.436,600 -0.163,601 -0.082,602 0.031,603 0.044,604 -0.291,605 0.062,606 0.252,607 0.041,608 0.068,609 -0.027,610 0.209,611 -0.011,612 0.078,613 0.066,614 -0.012,615 -0.002,616 0.024,617 -0.017,618 0.113,619 0.121,620 -0.125,621 -0.074,622 0.162,623 -0.123,624 -0.067,625 -0.082,626 -0.16,627 -0.152,628 -0.075,629 -0.166,630 0.061,631 0.067,632 0.034,633 0.043,634 -0.029,635 0.036,636 -0.036,637 -0.074,638 0.115,639 0.062,640 0.005,641 0.101,642 -0.058,643 -0.048,644 0.047,645 0.032,646 -0.036,647 0.051,648 1.575,649 1.98,650 0.893,651 20.449,652 1.003,653 1.124,654 3.267,655 10.672,656 0.708,657 3.497,658 3.85,659 4.174,660 4.5,661 4.796,662 4.913,663 5.069,664 5.236,665 5.425,666 5.509,667 5.797,668 0.684,669 367.45,670 3.497,671 5.056,672 5.932,673 6.832,674 7.724,675 8.627,676 9.525,677 10.43,678 11.329,679 12.234,680 15.6,684 2,688 1,690 4,694 2,695 9,696 4,700 7,702 23,711 2,714 1,718 45,719 24,720 2,721 32,723 49,724 21,725 18,726 4,727 8,728 2,729 5,730 9,741 20,742 1,744 1,749 2,754 1,757 17,758 7,759 4,760 7,764 7,769 0.4,774 1,776 1,781 4,782 1,785 1,786 2,795 2,802 2,810 28,811 2,816 1,821 1,836 13.333,837 8.083,838 6,839 2.519,840 5.221,841 1.631,842 1.076,843 3.922,844 13.499,845 3.818,846 4.483,847 5.136,848 5.773,849 6.393,850 6.708,851 7.15,852 7.598,853 8.083,854 8.386,855 1,856 52,857 10.261,859 4.445,860 7.661,861 19.583,863 16.353,865 2.161,866 60.5,869 1,870 153.024,871 128.643,872 136.061,877 128.643,878 153.024,879 136.061,881 2.106,882 160.557,883 78.913,884 30.673,885 4.227,886 141.253,888 153.024,889 264.704,893 154.74,897 21.077,898 155.817,899 86.095,901 153.024,902 136.061,903 128.643,906 153.024,907 24.834,908 106.934,910 132.936,911 153.024,912 136.061,913 128.643,915 0.586,916 0.351,917 0.204,918 0.117,919 25,920 10,921 0.041,922 2,923 3,924 1.24,925 3.897,926 266.195,927 0.24,928 25,929 120.606,933 16.664,934 6.59,935 2.976,936 0.855,937 136.061,938 18.269,939 17.14,943 5.577,945 65.794,946 417.729,947 44.5,952 4.268,956 45.131,957 50.564,958 0.266,959 0.644,960 0.781,961 0.862,962 0.879,963 0.879,964 5.055,965 1.54,966 5.922,967 5.645,968 4.533,969 5.17,970 0.918,971 6.765,972 4.45,973 6.283,974 1.414,975 7.494,976 3.625,977 4.111,978 4.956,979 0.325,980 7.703,981 3.972,982 7.602,983 1.289,984 9.167,985 3.301,986 6.151,987 7.436,988 0.671,989 10.847,990 5.983,991 8.956,992 1.008,993 10.901,994 2.942,995 6.553,996 8.052,997 0.393,998 12.628,999 6.326,1000 10.341,1001 0.845,1002 12.674,1003 2.565,1004 8.054,1005 9.982,1006 0.533,1007 15.282,1008 7.8,1009 11.749,1010 0.591,1011 14.475,1012 2.161,1013 8.85,1014 11.015,1015 0.384,1016 17.415,1017 8.538,1018 13.176,1019 0.107,1020 16.296,1021 1.43,1022 10.131,1023 12.699,1024 0.438,1025 19.9,1026 9.787,1027 3.204,1028 -0.184,1029 18.132,1030 0.273,1031 11.115,1032 13.951,1033 0.351,1034 22.182,1035 10.716,1036 3.069,1037 11.262,1038 19.98,1039 -0.457,1040 12.308,1041 15.52,1042 0.366,1043 24.609,1044 11.871,1045 2.639,1046 10.172,1047 21.837,1048 4.491,1049 13.38,1050 16.885,1051 0.312,1052 26.956,1053 12.891,1054 2.423,1055 8.722,1056 23.702,1057 4.073,1058 14.539,1059 18.403,1060 0.309,1061 29.363,1062 14.009,1063 2.116,1064 7.123,1065 25.573,1066 3.665,1067 15.651,1068 19.826,1069 0.273,1070 31.74,1071 15.071,1072 2.01,1073 6.127,1074 27.449,1075 3.237,1076 16.799,1077 21.323,1078 0.262,1079 34.143,1080 16.176,1081 1.9,1082 5.797,1083 29.33,1084 2.811,1085 17.93,1086 22.777,1087 0.236,1088 36.534,1089 17.259,1090 8772,1091 14370,1092 22.076,1093 31.847,1094 49.087,1095 48.371,1096 49.425,1097 48.325,1098 48.308,1099 66.546,1100 2.178,1101 142.288,1102 46.339,1103 5.396,1104 5.411,1105 6.492,1106 5.244,1107 5.204,1108 7.491,1109 1.605,1110 18.614,1111 5.076,1112 9.746,1113 1.534,1114 1.512,1115 1.545,1116 1.51,1117 1.51,1118 2.08,1119 0.068,1120 4.446,1121 1.448,1122 4.08,1123 4.12,1124 4.047,1125 3.992,1126 5.342,1127 3.996,1128 3.983,1129 4.024,1130 3.956,1131 3.832,1132 4.989,1133 3.864,1134 3.787,1135 3.816,1136 3.719,1137 3.739,1138 4.888,1139 3.731,1140 3.512,1141 3.581,1142 3.446,1143 3.327,1144 4.832,1145 3.348,1146 3.307,1147 3.355,1148 3.195,1149 3.226,1150 4.64,1151 3.213,1152 3.155,1153 3.241,1154 3.064,1155 2.935,1156 4.229,1157 2.958,1158 3.1,1159 3.217,1160 2.992,1161 2.779,1162 4.161,1163 2.822,1164 2.826,1165 2.904,1166 2.706,1167 2.711,1168 4.05,1169 2.694,1170 0.142,1171 0.107,1172 0.213,1173 0.13,1174 0.1,1175 4.548,1176 0.14,1177 3.411,1178 0.029,1179 6.806,1180 0.352,1181 4.162,1182 0.096,1183 3.204,1184 4.491,1185 0.916,1186 11.262,1187 3.076,1188 1.948,1189 1.912,1190 2.03,1191 2.117,1192 1.174,1193 2.082,1194 1.912,1195 1.889,1196 2.019,1197 2.002,1198 1.12,1199 1.998,1200 1.881,1201 1.844,1202 1.935,1203 1.975,1204 0.972,1205 1.991,1206 1.441,1207 1.381,1208 1.599,1209 1.661,1210 0.714,1211 1.648,1212 1.327,1213 1.283,1214 1.528,1215 1.446,1216 0.571,1217 1.477,1218 1.087,1219 1.014,1220 1.293,1221 1.382,1222 0.265,1223 1.366,1224 0.981,1225 0.874,1226 1.257,1227 1.347,1228 0.178,1229 1.333,1230 0.843,1231 0.783,1232 1.127,1233 1.034,1234 0.145,1235 1.066,1236 4.174,1238 5.517,1240 7.064,1241 2.708,1242 8.705,1243 5.38,1244 10.394,1250 11.631,1252 0.53,1257 2.231,1262 30.784,1263 65.756,1264 159.08,1265 193.133,1266 213.133,1267 217.133,1268 217.133,1269 31.999,1270 8.278,1271 108.53,1272 108.53,1273 31,1274 12.754,1275 4.644,1276 3.755,1277 37.452,1278 96,1279 106,1280 0.188,1281 187.674,1282 311.78,1283 449.684,1284 50354,1286 19.087,1287 0.682,1288 0.534,1289 19.087,1290 14.949,1291 13.687,1292 0.428,1293 0.277,1294 8.766,1295 13.272,1296 8.599,1297 7.118,1298 13.687,1299 8.872,1300 12.551,1301 0.273,1302 0.142,1303 12.551,1304 6.538,1305 10.916,1306 0.171,1307 0.074,1308 10.916,1309 4.719,1310 9.782,1311 0.11,1312 0.039,1313 9.782,1314 3.449,1315 8.421,1316 0.07,1317 0.021,1318 8.421,1319 2.468,1320 0.287,1321 84.914,1322 0.213,1323 26.088,1324 0.543,1325 156,1326 410.85,1327 168.961,1328 414.543,1329 591.59,1330 390,1331 188,1332 464.127,1333 201.822,1334 473.897,1335 698.76,1336 448,1337 5.44}
{0 CHEMBL301795,1 1.606,2 10.87,3 1.794,4 3.217,5 90.769,6 7.907,7 0.68,8 3.778,9 3.916,10 3.381,11 3.299,12 5.008,13 3.303,14 4.234,15 4.406,16 3.74,17 3.649,18 5.473,19 3.636,20 4.449,21 4.645,22 3.777,23 3.746,24 5.687,25 3.719,26 4.449,27 4.658,28 3.603,29 3.693,30 5.628,31 3.62,32 4.454,33 4.713,34 3.391,35 3.579,36 5.497,37 3.47,38 4.291,39 4.575,40 3.238,41 3.394,42 5.311,43 3.286,44 4.049,45 4.292,46 3.132,47 3.284,48 5.058,49 3.204,50 3.975,51 4.196,52 3.14,53 3.232,54 5.098,55 3.158,56 0.075,57 0.64,58 7.217,59 2.842,60 13.006,61 3.759,62 0.175,63 0.956,64 12.578,65 4.985,66 22.022,67 6.753,68 0.338,69 1.109,70 16.916,71 5.523,72 41.795,73 7.487,74 0.244,75 1.054,76 17.199,77 6.105,78 37.241,79 8.502,80 0.284,81 0.975,82 19.417,83 6.195,84 46.312,85 9.15,86 0.354,87 0.82,88 17.275,89 5.083,90 39.879,91 7.765,92 0.191,93 0.674,94 12.494,95 4.031,96 25.76,97 5.812,98 0.153,99 0.632,100 11.199,101 4.083,102 26.197,103 5.705,104 18,105 35,106 0.284,107 0.649,108 0.779,109 0.849,110 0.849,111 0.849,112 3.187,113 0.847,114 -3.27,115 -3.26,116 -3.13,119 41,120 1,125 1,139 6,140 1,141 1,143 3,144 1,147 1,152 1,157 2,158 2,159 2,166 5,169 1,170 4,172 3,173 3,175 2,178 5,181 2,182 4,184 1,185 2,187 3,189 4,193 3,195 1,196 1,197 1,198 4,200 2,201 2,204 2,205 1,207 3,209 1,210 1,212 2,215 2,218 2,221 2,224 3,225 1,226 1,228 1,229 4,234 1,241 3,246 4,250 1,251 2,253 1,254 1,256 2,259 1,260 6,265 2,268 1,270 2,273 700,274 15.24,275 15.24,276 15.24,277 15.24,278 15.24,279 13.035,280 18.465,281 8.877,282 15.485,283 12.322,284 12.322,285 12.322,286 12.322,287 12.322,288 8.985,289 25.19,290 4.224,291 12.751,292 3.68,293 1.615,294 0.879,295 0.481,296 0.481,297 0.481,298 3.868,300 1,301 1,302 1,303 533,304 2.915,307 198.038,311 104.314,314 1.626,315 23.716,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50,327 250,328 4.541,329 3.544,330 6.502,331 4.031,332 3.079,333 4.491,334 1.277,335 10.175,336 2.933,337 4.166,338 3.132,339 5.929,340 3.797,341 2.786,342 3.756,343 0.657,344 8.229,345 2.819,346 3.797,347 2.765,348 5.385,349 3.434,350 2.47,351 3.24,353 7.058,354 2.38,355 3.666,356 2.506,357 5.219,358 3.255,359 2.288,360 3.028,362 6.594,363 2.209,364 3.428,365 2.181,366 5.062,367 2.966,368 2.035,369 2.811,371 5.801,372 1.886,373 3.365,374 2.046,375 4.965,376 2.901,377 1.953,378 2.69,380 5.738,381 1.846,382 2.786,383 1.898,384 3.798,385 2.324,386 1.291,387 1.794,389 3.003,390 1.323,391 2.5,392 1.061,393 3.71,394 2,395 1.008,396 1.5,398 2.565,399 1,400 2.454,401 1,402 3.414,403 1.959,404 1,405 1.434,407 2.275,408 0.956,409 1.932,410 0.974,411 3.234,412 1.652,413 0.708,414 0.834,415 1.692,416 0.666,417 1.39,418 0.361,419 2.735,420 0.979,421 0.041,422 0.053,423 0.103,424 0.039,425 0.994,426 0.185,427 2.563,428 0.57,429 -0.391,430 -0.498,431 -0.965,432 -0.371,433 0.918,434 -0.23,435 2.422,436 0.461,437 -0.468,438 -0.594,439 -1.174,440 -0.436,441 0.584,442 -0.306,443 2.099,444 0.134,445 -0.814,446 -1.027,448 -2,449 -0.765,450 0.5,451 -0.645,452 2,453 0.121,454 -0.84,455 -1.126,457 -2.044,458 -0.804,459 10.733,460 0.467,461 0.647,462 0.028,463 34.25,464 1.489,465 19,466 0.826,467 15.25,468 0.663,469 14.006,470 0.609,471 24.067,472 0.617,473 23.885,474 1.038,475 6.873,476 0.299,477 4.152,478 0.181,479 0.152,481 0.373,485 0.949,486 1.229,487 0.784,488 0.918,489 0.889,490 0.823,491 0.618,492 1.105,493 0.698,494 1.016,495 0.516,496 0.896,497 1.205,498 0.989,499 1.053,500 0.96,501 1.118,502 0.979,503 0.978,504 1.233,505 1.145,506 1.293,507 0.911,508 1.262,509 0.916,510 1.064,511 1.07,512 1.103,513 0.933,514 1.113,515 0.695,516 0.671,517 0.952,518 0.792,519 0.588,520 0.883,521 1.027,522 0.871,523 1.032,524 0.893,525 0.869,526 0.944,527 0.879,528 1.078,529 0.934,530 1.102,531 1.028,532 1.055,533 5.5,534 0.14,535 2.667,536 1.313,537 1.52,538 0.59,539 0.262,540 0.311,541 0.213,542 0.127,543 6025,544 18098,545 2.041,546 41,548 8,551 5,552 3,555 1.65,556 1.89,557 3.392,558 2.718,559 1,560 1,562 1,564 62.621,565 1.606,566 3.67,567 4.407,568 4.805,569 4.805,570 4.805,571 2.893,572 4.263,573 4.495,574 3.555,575 899.443,576 7.703,577 10491.8,578 1,579 1,581 1,582 206.131,583 1.478,584 4.443,585 0.22,586 0.011,587 0.076,588 0.038,589 0.054,590 0.027,591 0.014,592 0.017,593 0.012,594 0.007,595 0.476,596 0.17,597 1,598 0.832,599 109.371,600 -0.182,601 -0.028,602 -0.002,603 0.083,604 -0.209,605 0.081,606 0.176,607 0.004,608 0.154,609 -0.01,610 0.142,611 0.05,612 -0.117,613 0.089,614 -0.137,615 -0.014,616 -0.111,617 -0.073,618 -0.073,619 -0.227,620 -0.222,621 -0.303,622 -0.025,623 -0.296,624 -0.06,625 -0.151,626 -0.066,627 -0.117,628 -0.085,629 -0.099,630 0.137,631 0.248,632 0.086,633 0.162,634 0.051,635 0.126,636 -0.173,637 0.091,638 -0.06,639 0.099,640 -0.129,641 0.055,642 0.004,643 -0.133,644 0.02,645 -0.072,646 -0.033,647 -0.039,648 1.623,649 4.253,650 0.696,651 19.584,652 1.009,653 1.135,654 2.045,655 4.181,656 0.674,657 3.258,658 3.584,659 3.807,660 4.025,661 4.263,662 4.277,663 4.29,664 4.331,665 4.466,666 4.419,667 6.329,668 0.653,669 308.38,670 3.258,671 4.796,672 5.631,673 6.5,674 7.352,675 8.222,676 9.08,677 9.951,678 10.812,679 11.684,680 15.4,684 2,685 1,690 3,694 2,695 6,696 3,700 5,702 17,705 1,711 2,712 1,718 39,719 18,720 1,721 25,723 41,724 16,725 13,726 2,727 4,728 1,729 3,730 4,734 1,741 14,742 2,744 1,748 1,751 1,753 1,754 1,757 16,758 7,759 5,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 1,810 23,811 2,816 1,817 1,829 2.6,832 1,836 12.167,837 7.183,838 5,839 2.092,840 3.419,841 1.488,842 1.012,843 4.086,844 10.425,845 3.57,846 4.22,847 4.81,848 5.397,849 5.992,850 6.236,851 6.529,852 6.821,853 7.248,854 7.279,855 1,856 35,857 8.417,859 3.544,860 7.906,861 15.705,863 12.523,865 2.406,866 55.333,870 129.482,871 90.136,872 134.162,874 25.145,877 90.136,878 154.627,879 134.162,880 8.825,881 2.106,882 122.652,883 98.646,884 12.987,885 4.227,886 129.482,888 129.482,889 224.298,890 25.145,893 129.482,894 25.145,897 19.875,898 136.056,899 68.367,901 129.482,902 159.307,903 90.136,906 129.482,907 24.454,908 65.683,909 18.011,910 141.296,911 129.482,912 159.307,913 90.136,915 0.588,916 0.334,917 0.17,918 0.095,919 17,920 8,921 0.098,922 4,923 1,924 1.125,925 3.565,926 176.944,927 0.125,928 16,929 100.042,933 15.192,934 6.186,935 3.381,936 1.148,937 159.307,938 10.948,939 12.465,943 2.78,945 83.805,946 378.925,947 34.5,951 11.253,954 0.044,956 39.356,957 44.275,958 0.304,959 0.694,960 0.834,961 0.909,962 0.909,963 0.909,964 4.79,965 1.008,966 5.624,967 3.003,968 4.263,969 4.905,970 1.635,971 6.405,972 4.198,973 6.022,974 1,975 7.171,976 2.565,977 3.892,978 4.796,980 7.239,981 3.807,982 7.338,983 0.708,984 8.811,985 2.275,986 5.838,987 7.172,988 1.902,989 10.285,990 5.712,991 8.688,992 0.041,993 10.504,994 1.692,995 6.217,996 7.838,998 11.907,999 6.075,1000 10.064,1001 -0.391,1002 12.23,1003 0.103,1004 7.669,1005 9.721,1006 2.288,1007 14.483,1008 7.489,1009 11.46,1010 -0.468,1011 13.979,1012 -0.965,1013 8.404,1014 10.778,1016 16.467,1017 8.205,1018 12.873,1019 -0.814,1020 15.746,1021 -1.174,1022 9.65,1023 12.446,1024 2.725,1025 18.874,1026 9.415,1027 3.079,1028 -0.84,1029 17.528,1030 -2,1031 10.567,1032 13.714,1034 21.034,1035 10.306,1036 2.786,1037 10.175,1038 19.32,1039 -2.044,1040 11.724,1041 15.282,1042 3.186,1043 23.379,1044 11.427,1045 2.47,1046 8.229,1047 21.123,1048 4.491,1049 12.734,1050 16.663,1052 25.621,1053 12.403,1054 2.288,1055 7.058,1056 22.935,1057 3.756,1058 13.855,1059 18.188,1060 3.658,1061 27.944,1062 13.487,1063 2.035,1064 6.594,1065 24.753,1066 3.24,1067 14.913,1068 19.626,1070 30.225,1071 14.506,1072 1.953,1073 5.801,1074 26.579,1075 3.028,1076 16.022,1077 21.133,1078 4.138,1079 32.542,1080 15.574,1081 1.291,1082 5.738,1083 28.41,1084 2.811,1085 17.105,1086 22.601,1088 34.841,1089 16.614,1090 5878,1091 10297,1092 16.414,1093 26.296,1094 37.691,1095 38.216,1096 38.438,1097 37.3,1098 37.317,1099 51.26,1100 3.87,1101 106.467,1102 36.115,1103 5.366,1104 5.544,1105 5.916,1106 5.104,1107 5.079,1108 7.491,1109 2.555,1110 17.069,1111 4.933,1112 12.433,1113 1.508,1114 1.529,1115 1.538,1116 1.492,1117 1.493,1118 2.05,1119 0.155,1120 4.259,1121 1.445,1122 4.055,1123 4.099,1124 4.029,1125 3.93,1126 7.428,1127 3.948,1128 3.929,1129 3.957,1130 3.877,1131 3.85,1132 5.323,1133 3.854,1134 3.552,1135 3.616,1136 3.478,1137 3.36,1138 4.988,1139 3.381,1140 3.411,1141 3.463,1142 3.318,1143 3.229,1144 4.798,1145 3.241,1146 3.148,1147 3.237,1148 3.022,1149 2.939,1150 4.709,1151 2.945,1152 3.106,1153 3.222,1154 2.972,1155 2.799,1156 4.24,1157 2.836,1158 2.854,1159 2.925,1160 2.687,1161 2.735,1162 3.964,1163 2.715,1164 2.752,1165 2.836,1166 2.605,1167 2.581,1168 3.896,1169 2.573,1170 0.182,1171 0.142,1172 0.26,1173 0.161,1174 0.123,1175 4.541,1176 0.18,1177 3.544,1178 0.051,1179 6.502,1180 0.407,1181 4.031,1182 0.117,1183 3.079,1184 4.491,1185 1.277,1186 10.175,1187 2.933,1188 1.974,1189 1.939,1190 2.047,1191 2.123,1192 1.148,1193 2.098,1194 1.908,1195 1.883,1196 1.997,1197 2.008,1198 1.076,1199 2.01,1200 1.484,1201 1.426,1202 1.682,1203 1.715,1204 0.767,1205 1.704,1206 1.366,1207 1.313,1208 1.592,1209 1.588,1210 0.666,1211 1.596,1212 1.113,1213 1.031,1214 1.378,1215 1.383,1216 0.334,1217 1.385,1218 0.995,1219 0.891,1220 1.272,1221 1.371,1222 0.218,1223 1.364,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1228 0.105,1229 1.107,1230 0.74,1231 0.67,1232 0.994,1233 0.976,1235 0.986,1236 3.932,1238 5.252,1240 6.765,1242 8.367,1244 10.016,1246 1.542,1250 11.397,1252 0.513,1253 3.242,1262 25.477,1263 62.621,1264 143.137,1265 171.866,1266 187.376,1267 187.376,1268 187.376,1269 34.79,1270 7.006,1271 119.81,1272 119.81,1273 18,1274 12.228,1275 4.248,1276 3.392,1277 37.175,1278 88,1279 80,1280 0.208,1281 160.483,1282 266.61,1283 383.339,1284 10047,1286 16.397,1287 0.713,1288 0.547,1289 16.397,1290 12.576,1291 11.025,1292 0.441,1293 0.282,1294 6.964,1295 10.619,1296 6.78,1297 5.648,1298 11.025,1299 7.062,1300 10.259,1301 0.293,1302 0.146,1303 10.259,1304 5.124,1305 8.184,1306 0.186,1307 0.077,1308 8.184,1309 3.409,1310 6.648,1311 0.121,1312 0.04,1313 6.648,1314 2.21,1315 5.322,1316 0.076,1317 0.021,1318 5.322,1319 1.459,1320 0.333,1321 68.983,1322 0.247,1323 22.904,1324 0.551,1325 120,1326 359.628,1327 132.261,1328 356.866,1329 489.37,1330 332,1331 139,1332 366.467,1333 150.597,1334 373.015,1335 540.33,1336 351,1337 8.602}
{0 CHEMBL302633,1 1.711,2 9.435,3 1.81,4 3.275,5 88.148,6 7.884,7 0.64,8 3.829,9 3.948,10 3.423,11 3.242,12 5.054,13 3.279,14 4.299,15 4.463,16 3.766,17 3.597,18 5.511,19 3.617,20 4.412,21 4.573,22 3.818,23 3.695,24 5.571,25 3.702,26 4.529,27 4.708,28 3.779,29 3.714,30 5.75,31 3.679,32 4.621,33 4.867,34 3.493,35 3.654,36 5.668,37 3.562,38 4.443,39 4.7,40 3.416,41 3.539,42 5.36,43 3.452,44 4.316,45 4.526,46 3.492,47 3.442,48 5.395,49 3.416,50 4.295,51 4.505,52 3.467,53 3.383,54 5.479,55 3.349,56 0.146,57 0.613,58 7.95,59 2.98,60 13.469,61 3.85,62 0.429,63 0.897,64 14.86,65 5.04,66 32.625,67 6.513,68 0.345,69 1.007,70 15.898,71 5.358,72 22.979,73 7.325,74 0.529,75 1.047,76 18.713,77 6.392,78 43.338,79 8.779,80 0.763,81 1.01,82 24.093,83 6.472,84 63.657,85 9.517,86 0.394,87 0.85,88 20.117,89 6.287,90 34.64,91 9.295,92 0.445,93 0.764,94 16.973,95 5.263,96 32.689,97 7.197,98 0.52,99 0.745,100 16.348,101 4.783,102 38.317,103 6.942,104 21,105 35,106 0.303,107 0.709,108 0.809,109 0.839,110 0.857,111 0.883,112 3.188,113 0.828,114 -2.73,115 -2.75,116 -2.67,119 37.5,124 2,125 1,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 1,158 1,159 1,166 2,169 1,170 5,172 2,173 4,175 5,178 1,182 5,185 1,187 3,189 1,196 3,197 4,198 2,200 2,201 1,204 1,206 1,207 1,210 2,211 1,212 1,215 2,218 1,221 2,226 1,229 2,234 3,237 1,238 1,239 2,240 1,241 1,245 2,246 2,249 2,251 2,259 2,260 2,263 1,265 2,270 1,273 667,274 15.618,275 15.618,276 15.618,277 15.618,278 15.618,279 13.668,280 21.889,281 9.024,282 16.276,283 12.197,284 12.197,285 12.197,286 12.197,287 12.197,288 9.114,289 30.944,290 4.094,291 13.081,292 3.611,293 1.319,294 0.757,295 0.588,296 0.488,297 0.338,298 3.867,300 1,301 1,302 1,303 460,304 2.828,306 47.618,307 133.086,310 89.577,314 1.285,315 24.195,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51.5,327 217,328 4.638,329 3.301,330 6.78,331 4.152,332 3.189,333 4.608,334 0.86,335 11.108,336 3.073,337 4.265,338 3.144,339 6.172,340 3.855,341 2.901,342 3.91,343 0.86,344 9.169,345 2.763,346 3.709,347 2.685,348 5.307,349 3.269,350 2.34,351 3.155,352 0.657,353 6.701,354 2.169,355 3.543,356 2.537,357 5.22,358 3.155,359 2.235,360 2.855,362 6.488,363 2.046,364 3.407,365 2.184,366 5.063,367 2.884,368 1.98,369 2.788,371 5.791,372 1.785,373 3.088,374 2.087,375 4.773,376 2.735,377 1.799,378 2.259,380 5.046,381 1.679,382 2.89,383 1.805,384 4.384,385 2.485,386 1.533,387 2.029,389 4.193,390 1.454,391 2.305,392 1.25,393 3.589,394 1.789,395 0.861,396 1.222,398 2.117,399 0.797,400 1.996,401 0.929,402 3.26,403 1.674,404 0.783,405 0.918,407 1.607,408 0.69,409 1.737,410 0.912,411 3,412 1.47,413 0.563,414 0.645,415 1.139,416 0.508,417 1.444,418 0.788,419 2.699,420 1.177,421 0.32,422 0.352,423 0.439,424 0.272,425 1.115,426 0.127,427 2.64,428 0.7,429 -0.214,430 -0.264,431 -0.515,432 -0.194,433 0.912,434 -0.069,435 2.413,436 0.498,437 -0.409,438 -0.514,439 -0.891,440 -0.367,441 0.734,442 -0.224,443 2.216,444 0.359,445 -0.541,446 -0.642,448 -1.225,449 -0.482,450 0.615,451 -0.459,452 2.054,453 0.205,454 -0.736,455 -0.909,457 -1.924,458 -0.684,459 10.5,460 0.457,461 0.554,462 0.024,463 32.5,464 1.413,465 16.5,466 0.717,467 16,468 0.696,469 15.161,470 0.659,471 25.5,472 0.638,473 23.469,474 1.02,475 6.78,476 0.295,477 4.337,478 0.189,479 0.165,481 0.381,485 1.083,486 1.417,487 0.794,488 1.107,489 1.108,490 0.902,491 1.069,492 0.877,493 0.775,494 0.796,495 0.665,496 0.74,497 1.035,498 1.373,499 0.929,500 1.181,501 0.879,502 1.047,503 0.834,504 1.241,505 1.079,506 1.347,507 0.802,508 1.298,509 1.082,510 0.761,511 1.235,512 0.895,513 1.338,514 1.062,515 0.788,516 0.921,517 0.843,518 0.977,519 0.664,520 0.931,521 1.162,522 0.936,523 0.902,524 0.942,525 0.837,526 0.89,527 0.867,528 1.078,529 0.943,530 1.084,531 0.92,532 1.043,533 5,534 0.091,535 2.667,536 1.91,537 1.383,538 0.608,539 0.402,540 0.313,541 0.28,542 0.178,543 5404,544 16907,545 2.041,546 42.5,548 11,549 1,551 5,555 1.658,556 1.89,557 3.204,558 2.761,559 1,560 1,562 1,564 68.422,565 1.711,566 4.003,567 4.565,568 4.734,569 4.834,570 4.984,571 2.616,572 4.263,573 4.499,574 3.335,575 843.72,576 7.748,577 9622.42,578 1,579 1,581 1,582 212.877,583 1.478,584 4.443,585 0.2,586 0.01,587 0.076,588 0.053,589 0.043,590 0.026,591 0.017,592 0.013,593 0.012,594 0.01,595 0.462,596 0.17,597 1,598 0.942,599 107.292,600 -0.194,601 -0.172,602 0.012,603 -0.034,604 -0.231,605 0.037,606 -0.029,607 0.238,608 0.128,609 0.226,610 0.116,611 0.205,612 -0.122,613 -0.239,614 -0.059,615 -0.15,616 -0.083,617 -0.095,618 0.114,619 -0.167,620 -0.175,621 -0.337,622 0.139,623 -0.342,624 -0.091,625 0.179,626 -0.229,627 0.038,628 -0.222,629 -0.099,630 -0.009,631 -0.028,632 0.147,633 0.042,634 0.034,635 0.124,636 -0.072,637 -0.003,638 0.087,639 0.068,640 0.006,641 0.103,642 0.186,643 -0.116,644 0.04,645 -0.107,646 0.1,647 -0.074,648 1.817,649 3.978,650 0.652,651 16.696,652 1.02,653 1.14,654 1.501,655 2.254,656 0.649,657 3.258,658 3.584,659 3.871,660 4.143,661 4.29,662 4.357,663 4.369,664 4.419,665 4.466,666 4.489,667 5.625,668 0.635,669 315.37,670 3.258,671 4.796,672 5.652,673 6.538,674 7.41,675 8.301,676 9.179,677 10.072,678 10.952,679 11.846,680 12.5,684 1,685 1,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 1,712 1,715 1,716 2,718 40,719 16,720 1,721 25,723 42,724 15,725 12,726 3,727 3,729 3,730 4,741 12,742 3,753 1,754 1,757 17,758 7,759 5,760 8,764 5,769 0.667,770 3,776 1,777 1,780 1,781 2,784 1,802 2,806 2,810 23,811 1,815 1,816 1,817 1,818 2,829 7.5,831 1,834 2,836 12.167,837 7.6,838 5.194,839 1.986,840 3.185,841 1.455,842 0.964,843 4.449,844 10.191,845 3.526,846 4.186,847 4.825,848 5.443,849 5.914,850 6.189,851 6.447,852 6.767,853 6.892,854 7.125,855 1,856 36,857 8.413,859 3.51,860 7.884,861 15.653,863 12.291,865 2.384,866 54.833,870 141.253,871 83.965,872 101.265,874 64.683,877 83.965,878 205.936,879 101.265,880 21.766,881 2.106,882 70.373,883 95.98,884 57.787,885 13.67,886 129.482,888 141.253,889 185.229,890 64.683,893 141.253,894 64.683,897 22.506,898 111.142,899 51.582,901 141.253,902 165.948,903 83.965,906 141.253,907 24.722,908 59.242,909 34.796,910 131.151,911 141.253,912 165.948,913 83.965,915 0.578,916 0.352,917 0.196,918 0.099,919 17,920 8,921 0.119,922 5,923 1,924 1.133,925 3.474,926 182.374,927 0.133,928 15,929 104.042,933 15.704,934 6.516,935 3.132,936 1.026,937 149.162,938 7.218,939 7.832,940 2.97,943 2.856,945 110.377,946 391.165,947 33,956 40.793,957 45.611,958 0.321,959 0.752,960 0.858,961 0.89,962 0.908,963 0.937,964 4.754,965 0.861,966 5.645,967 4.193,968 4.263,969 4.871,970 1.573,971 6.472,972 4.136,973 5.984,974 0.783,975 7.216,976 2.117,977 3.892,978 4.808,980 7.416,981 3.727,982 7.312,983 0.563,984 8.884,985 1.607,986 5.872,987 7.177,988 1.27,989 10.511,990 5.652,991 8.68,992 0.32,993 10.609,994 1.139,995 6.312,996 7.943,998 12.295,999 6.06,1000 10.079,1001 -0.214,1002 12.372,1003 0.439,1004 7.768,1005 9.795,1006 1.022,1007 14.92,1008 7.475,1009 11.5,1010 -0.409,1011 14.162,1012 -0.515,1013 8.585,1014 10.955,1016 17.062,1017 8.263,1018 12.94,1019 -0.541,1020 15.973,1021 -0.891,1022 9.839,1023 12.603,1024 0.818,1025 19.531,1026 9.482,1027 3.189,1028 -0.736,1029 17.8,1030 -1.225,1031 10.833,1032 13.952,1034 21.824,1035 10.445,1036 2.901,1037 11.108,1038 19.641,1039 -1.924,1040 12.011,1041 15.518,1042 0.65,1043 24.241,1044 11.589,1045 2.34,1046 9.169,1047 21.493,1048 4.608,1049 13.086,1050 16.958,1052 26.595,1053 12.631,1054 2.235,1055 6.701,1056 23.354,1057 3.91,1058 14.237,1059 18.492,1060 0.511,1061 28.997,1062 13.748,1063 1.98,1064 6.488,1065 25.223,1066 3.155,1067 15.349,1068 19.973,1070 31.378,1071 14.825,1072 1.799,1073 5.791,1074 27.099,1075 2.855,1076 16.493,1077 21.497,1078 0.399,1079 33.777,1080 15.934,1081 1.533,1082 5.046,1083 28.979,1084 2.788,1085 17.622,1086 22.999,1088 36.169,1089 17.028,1090 5335,1091 9552,1092 16.414,1093 25.96,1094 37.004,1095 37.802,1096 39.097,1097 36.961,1098 37.012,1099 49.479,1100 4.755,1101 107.595,1102 34.472,1103 5.486,1104 5.301,1105 6.349,1106 5.225,1107 5.189,1108 7.608,1109 1.72,1110 17.998,1111 5.073,1112 12.162,1113 1.48,1114 1.512,1115 1.564,1116 1.478,1117 1.48,1118 1.979,1119 0.19,1120 4.304,1121 1.379,1122 4.108,1123 4.151,1124 4.081,1125 3.968,1126 6.476,1127 3.991,1128 3.915,1129 3.935,1130 3.87,1131 3.814,1132 5.221,1133 3.824,1134 3.453,1135 3.53,1136 3.38,1137 3.212,1138 4.93,1139 3.246,1140 3.325,1141 3.376,1142 3.19,1143 3.029,1144 4.808,1145 3.057,1146 3.212,1147 3.305,1148 3.066,1149 2.921,1150 4.604,1151 2.943,1152 3.126,1153 3.219,1154 2.912,1155 2.862,1156 4.239,1157 2.851,1158 2.996,1159 3.06,1160 2.873,1161 2.689,1162 4.133,1163 2.729,1164 2.778,1165 2.856,1166 2.608,1167 2.609,1168 3.991,1169 2.602,1170 0.186,1171 0.132,1172 0.271,1173 0.166,1174 0.128,1175 4.638,1176 0.184,1177 3.301,1178 0.034,1179 6.78,1180 0.444,1181 4.152,1182 0.123,1183 3.189,1184 4.608,1185 0.86,1186 11.108,1187 3.073,1188 1.888,1189 1.867,1190 1.98,1191 2.022,1192 1.12,1193 2.006,1194 1.801,1195 1.774,1196 1.845,1197 1.982,1198 1.004,1199 1.942,1200 1.55,1201 1.486,1202 1.704,1203 1.763,1204 0.722,1205 1.756,1206 1.239,1207 1.181,1208 1.592,1209 1.569,1210 0.586,1211 1.572,1212 1.143,1213 1.05,1214 1.538,1215 1.475,1216 0.557,1217 1.486,1218 1.099,1219 1.005,1220 1.352,1221 1.414,1222 0.372,1223 1.419,1224 0.966,1225 0.881,1226 1.219,1227 1.289,1228 0.165,1229 1.274,1230 0.774,1231 0.702,1232 1.079,1233 1.027,1235 1.034,1236 3.932,1238 5.252,1239 2.398,1240 6.772,1241 4.727,1242 8.387,1243 6.843,1244 10.053,1246 3.201,1250 5.521,1251 9.978,1252 0.435,1253 3.252,1254 10.543,1262 25.412,1263 68.422,1264 160.122,1265 182.612,1266 189.367,1267 193.367,1268 199.367,1269 33.437,1270 7.006,1271 118.31,1272 118.31,1273 17,1274 12.375,1275 4.087,1276 3.17,1277 36.833,1278 79,1279 70,1280 0.235,1281 157.944,1282 261.17,1283 377.143,1284 9760,1286 16.397,1287 0.713,1288 0.554,1289 16.397,1290 12.752,1291 11.118,1292 0.445,1293 0.276,1294 6.728,1295 10.446,1296 6.549,1297 5.473,1298 11.118,1299 6.904,1300 9.822,1301 0.281,1302 0.139,1303 9.822,1304 4.863,1305 8.392,1306 0.179,1307 0.074,1308 8.392,1309 3.487,1310 7.258,1311 0.117,1312 0.038,1313 7.258,1314 2.376,1315 5.313,1316 0.074,1317 0.02,1318 5.313,1319 1.449,1320 0.364,1321 71.528,1322 0.247,1323 22.409,1324 0.653,1325 120,1326 402.889,1327 136.769,1328 381.954,1329 522.5,1330 358,1331 142,1332 387.262,1333 158.356,1334 392.002,1335 571.05,1336 365,1337 4.328}
{0 CHEMBL303075,1 1.635,2 8.727,3 1.403,4 1.969,5 86.266,6 7.247,7 0.522,8 3.836,9 3.964,10 3.337,11 3.266,12 5.054,13 3.268,14 4.309,15 4.486,16 3.678,17 3.629,18 5.485,19 3.606,20 4.526,21 4.699,22 3.754,23 3.784,24 5.719,25 3.74,26 4.668,27 4.898,28 3.689,29 3.808,30 5.764,31 3.727,32 4.651,33 4.864,34 3.643,35 3.77,36 5.807,37 3.691,38 4.635,39 4.869,40 3.556,41 3.697,42 5.726,43 3.607,44 4.591,45 4.854,46 3.475,47 3.573,48 5.629,49 3.473,50 4.424,51 4.674,52 3.302,53 3.382,54 5.638,55 3.292,56 0.121,57 0.605,58 9.35,59 3.433,60 21.397,61 4.724,62 0.28,63 0.886,64 16.106,65 6.007,66 33.499,67 8.096,68 0.387,69 1.051,70 20.212,71 6.822,72 48.288,73 9.685,74 0.408,75 1.099,76 24.512,77 7.884,78 59.919,79 11.516,80 0.522,81 1.048,82 24.328,83 7.576,84 73.571,85 10.961,86 0.516,87 0.997,88 24.351,89 7.146,90 68.096,91 10.723,92 0.523,93 0.892,94 24.092,95 6.856,96 56.621,97 10.584,98 0.483,99 0.778,100 20.093,101 4.956,102 67.296,103 8.098,104 42,105 32,106 0.291,107 0.682,108 0.861,109 0.886,110 0.886,111 0.886,112 3.147,113 0.892,114 -2.75,115 -2.76,116 -2.68,119 35.7,120 1,121 2,124 1,127 1,139 2,140 3,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 3,172 3,173 3,175 4,178 7,180 1,182 4,185 1,187 5,189 6,191 1,193 5,195 1,196 1,197 1,198 4,200 2,201 4,204 2,205 1,207 5,211 1,212 6,215 2,218 3,221 3,224 1,226 5,229 2,231 2,233 2,234 2,236 1,237 1,239 4,241 1,243 3,249 2,250 1,251 1,253 1,256 1,260 2,262 1,263 3,264 1,265 2,267 1,270 2,273 644,274 14.248,275 14.248,276 14.248,277 14.248,278 14.248,279 12.643,280 19.669,281 8.293,282 14.686,283 11.266,284 11.266,285 11.266,286 11.266,287 11.266,288 8.838,289 25.417,290 3.869,291 11.896,292 3.757,293 1.561,294 0.56,295 0.417,296 0.417,297 0.417,298 3.801,300 1,301 1,302 1,303 388,304 3.082,307 152.087,314 1.231,315 29.036,317 1,318 0.75,319 0.83,320 0.83,321 0.9,322 1,323 0.83,324 1,325 0.88,326 49,327 192,328 4.415,329 3.325,330 6.442,331 4.028,332 3.057,333 4.099,334 0.86,335 9.917,336 2.968,337 4.226,338 3.066,339 6.086,340 3.809,341 2.853,342 3.874,343 0.68,344 8.825,345 2.733,346 3.59,347 2.646,348 5.281,349 3.267,350 2.305,351 2.921,353 6.653,354 2.215,355 3.445,356 2.517,357 5.255,358 3.18,359 2.239,360 2.665,362 6.475,363 2.098,364 3.352,365 2.197,366 4.917,367 2.931,368 1.988,369 2.647,371 5.629,372 1.863,373 2.967,374 2.149,375 4.498,376 2.744,377 1.803,378 2.004,380 4.583,381 1.687,382 2.821,383 1.567,384 4.135,385 2.348,386 1.414,387 1.95,389 3.658,390 1.317,391 1.887,392 1.396,393 3.422,394 1.638,395 0.763,396 0.827,398 1.657,399 0.66,400 1.611,401 0.787,402 2.962,403 1.323,404 0.398,405 0.467,407 0.845,408 0.366,409 1.335,410 0.535,411 2.794,412 1.049,413 0.123,414 0.142,415 0.245,416 0.113,417 0.937,418 0.013,419 2.359,420 0.659,421 -0.301,422 -0.352,423 -0.762,424 -0.287,425 0.797,426 -0.291,427 2.325,428 0.393,429 -0.514,430 -0.621,431 -1.242,432 -0.466,433 0.58,434 -0.314,435 2.252,436 0.266,437 -0.664,438 -0.787,439 -1.627,440 -0.612,441 0.344,442 -0.541,443 1.913,444 0.063,445 -0.91,446 -1,448 -2,449 -0.846,450 0.068,451 -0.737,452 1.396,453 -0.109,454 -1,455 -1.099,457 -2.503,458 -0.915,459 10.1,460 0.459,461 0.685,462 0.031,463 28,464 1.273,465 14,466 0.636,467 14,468 0.636,469 17.209,470 0.782,471 25.3,472 0.602,473 20.806,474 0.946,475 5.616,476 0.255,477 4.785,478 0.217,479 0.244,481 0.396,485 1.095,486 1.276,487 0.905,488 1.077,489 1.192,490 0.959,491 0.856,492 0.917,493 0.769,494 0.979,495 0.675,496 0.886,497 1.042,498 1.263,499 1.061,500 1.212,501 1.07,502 1.153,503 0.918,504 0.994,505 0.982,506 1.096,507 0.931,508 1.059,509 1.14,510 1.102,511 1.106,512 1.132,513 1.028,514 1.126,515 1.063,516 1.083,517 1.07,518 1.104,519 1.115,520 1.094,521 0.878,522 1.007,523 0.831,524 0.966,525 0.736,526 0.918,527 1.047,528 1.159,529 1.095,530 1.097,531 1.104,532 1.105,533 6,534 0.058,535 2.444,536 1.938,537 1.498,538 0.694,539 0.669,540 0.358,541 0.263,542 0.143,543 4259,544 13381,545 1.919,546 47.6,547 2,548 6,550 1,551 6,553 5,555 1.649,556 1.737,557 3.122,558 3.697,559 1,560 1,562 1,564 68.681,565 1.635,566 3.831,567 4.833,568 4.975,569 4.975,570 4.975,571 2.504,572 3.88,573 4.431,574 3.245,575 749.608,576 7.634,577 8252.21,578 1,579 1,581 1,582 226.477,583 1.573,584 4.349,585 0.261,586 0.012,587 0.076,588 0.059,589 0.05,590 0.025,591 0.027,592 0.016,593 0.015,594 0.012,595 0.551,596 0.17,597 1,598 1.231,599 100.498,600 -0.194,601 0.025,602 -0.025,603 0.088,604 -0.258,605 0.077,606 0.041,607 0.236,608 0.145,609 0.137,610 0.085,611 0.15,612 -0.068,613 -0.133,614 -0.138,615 -0.116,616 -0.096,617 -0.137,618 -0.053,619 0.023,620 -0.039,621 -0.066,622 -0.045,623 -0.05,624 -0.088,625 -0.11,626 -0.143,627 -0.098,628 -0.026,629 -0.128,630 -0.054,631 -0.123,632 -0.097,633 -0.107,634 -0.101,635 -0.108,636 0.106,637 -0.14,638 0.164,639 0.004,640 0.089,641 0.073,642 0.01,643 -0.211,644 -0.094,645 -0.184,646 0.007,647 -0.17,648 1.907,649 4.117,650 0.545,651 16.909,652 1.011,653 1.142,654 1.517,655 2.302,656 0.63,657 3.178,658 3.497,659 3.689,660 3.912,661 4.111,662 4.094,663 4.127,664 4.174,665 4.143,666 4.043,667 5.313,668 0.606,669 304.39,670 3.178,671 4.71,672 5.533,673 6.405,674 7.252,675 8.126,676 8.982,677 9.857,678 10.718,679 11.592,680 9.5,684 2,690 2,695 3,696 2,700 7,702 12,711 2,715 1,716 1,718 42,719 12,720 1,721 23,723 43,724 15,725 10,726 4,727 2,729 2,730 2,734 1,739 3,741 10,742 5,753 1,754 1,757 20,758 7,759 6,760 7,764 4,769 1,770 3,772 1,776 1,781 2,800 1,802 2,806 2,810 22,811 2,815 2,816 2,818 1,820 1,829 7.1,830 1,831 1,834 1,836 12.667,837 7.717,838 4.917,839 2.188,840 2.255,841 1.349,842 0.892,843 5.184,844 8.707,845 3.401,846 4.007,847 4.516,848 5.047,849 5.563,850 5.676,851 5.877,852 6.224,853 6.509,854 6.756,855 0.833,856 33,857 8.088,859 3.36,860 8.023,861 14.962,863 11.742,865 2.523,866 55.5,870 164.795,871 71.804,872 99.365,874 96.367,877 71.804,878 261.162,879 99.365,880 19.708,881 5.069,882 127.43,883 88.026,884 34.847,885 4.227,886 153.024,888 164.795,889 171.17,890 96.367,893 105.94,894 112.539,895 42.683,897 24.841,898 112.758,899 33.571,901 164.795,902 195.732,903 71.804,906 164.795,907 24.096,908 47.708,910 195.732,911 164.795,912 195.732,913 71.804,915 0.582,916 0.328,917 0.174,918 0.099,919 14,920 8,921 0.116,922 5,924 1,925 3.265,926 164.434,928 12,929 98.107,933 16.487,934 6.918,935 4.078,937 195.732,938 5.1,939 7.858,943 3.03,945 151.161,946 432.332,947 29,956 42.458,957 47.943,958 0.303,959 0.711,960 0.896,961 0.923,962 0.923,963 0.923,964 4.635,965 0.763,966 5.541,967 3.658,968 4.174,969 4.691,970 1.225,971 6.333,972 4.078,973 5.857,974 0.398,975 7.099,976 1.657,977 3.892,978 4.62,980 7.191,981 3.753,982 7.169,983 0.123,984 8.75,985 0.845,986 5.759,987 6.884,988 0.925,989 10.245,990 5.593,991 8.513,992 -0.301,993 10.451,994 0.245,995 6.196,996 7.533,998 11.85,999 5.986,1000 9.883,1001 -0.514,1002 12.185,1003 -0.762,1004 7.602,1005 9.348,1006 0.697,1007 14.45,1008 7.375,1009 11.271,1010 -0.664,1011 13.94,1012 -1.242,1013 8.379,1014 10.345,1016 16.401,1017 8.109,1018 12.675,1019 -0.91,1020 15.712,1021 -1.627,1022 9.601,1023 11.96,1024 0.525,1025 18.818,1026 9.313,1027 3.057,1028 -1,1029 17.497,1030 -2,1031 10.544,1032 13.14,1034 20.936,1035 10.218,1036 2.853,1037 9.917,1038 19.293,1039 -2.503,1040 11.689,1041 14.653,1042 0.395,1043 23.276,1044 11.342,1045 2.305,1046 8.825,1047 21.097,1048 4.099,1049 12.714,1050 15.93,1052 25.475,1053 12.332,1054 2.239,1055 6.653,1056 22.909,1057 3.874,1058 13.829,1059 17.39,1060 0.298,1061 27.78,1062 13.422,1063 1.988,1064 6.475,1065 24.728,1066 2.921,1067 14.893,1068 18.721,1070 30.02,1071 14.454,1072 1.803,1073 5.629,1074 26.551,1075 2.665,1076 15.997,1077 20.151,1078 0.224,1079 32.311,1080 15.532,1081 1.414,1082 4.583,1083 28.379,1084 2.647,1085 17.08,1086 21.511,1088 34.572,1089 16.584,1090 4430,1091 7927,1092 14.334,1093 26.478,1094 34.081,1095 34.908,1096 35.933,1097 33.853,1098 33.886,1099 43.19,1100 3.08,1101 96.976,1102 32.038,1103 5.207,1104 5.325,1105 5.965,1106 5.097,1107 5.057,1108 7.099,1109 1.72,1110 16.874,1111 4.968,1112 14.248,1113 1.482,1114 1.518,1115 1.562,1116 1.472,1117 1.473,1118 1.878,1119 0.134,1120 4.216,1121 1.393,1122 4.003,1123 4.029,1124 3.955,1125 3.922,1126 6.47,1127 3.926,1128 3.824,1129 3.871,1130 3.786,1131 3.665,1132 6.448,1133 3.689,1134 3.563,1135 3.614,1136 3.419,1137 3.39,1138 5.29,1139 3.388,1140 3.29,1141 3.353,1142 3.161,1143 3.044,1144 4.979,1145 3.066,1146 3.171,1147 3.255,1148 3.004,1149 2.933,1150 4.757,1151 2.934,1152 3.019,1153 3.133,1154 2.87,1155 2.737,1156 4.459,1157 2.746,1158 2.886,1159 2.99,1160 2.714,1161 2.647,1162 4.322,1163 2.648,1164 2.827,1165 2.905,1166 2.628,1167 2.559,1168 3.896,1169 2.58,1170 0.192,1171 0.145,1172 0.28,1173 0.175,1174 0.133,1175 4.415,1176 0.178,1177 3.325,1178 0.037,1179 6.442,1180 0.431,1181 4.028,1182 0.129,1183 3.057,1184 4.099,1185 0.86,1186 9.917,1187 2.968,1188 1.956,1189 1.936,1190 2.053,1191 2.061,1192 1.281,1193 2.057,1194 1.752,1195 1.709,1196 1.874,1197 1.941,1198 1.075,1199 1.919,1200 1.535,1201 1.482,1202 1.754,1203 1.751,1204 0.822,1205 1.759,1206 1.222,1207 1.157,1208 1.571,1209 1.526,1210 0.579,1211 1.54,1212 1.13,1213 1.054,1214 1.41,1215 1.413,1216 0.501,1217 1.414,1218 0.947,1219 0.849,1220 1.283,1221 1.305,1222 0.319,1223 1.307,1224 0.871,1225 0.768,1226 1.21,1227 1.166,1228 0.028,1229 1.204,1230 0.755,1231 0.669,1232 1.065,1233 1.092,1235 1.084,1236 3.85,1238 5.165,1240 6.666,1242 8.259,1244 9.902,1246 3.135,1250 11.319,1251 19.66,1252 0.791,1254 5.181,1256 -0.573,1262 25.444,1263 68.681,1264 160.914,1265 202.968,1266 208.968,1267 208.968,1268 208.968,1269 50.325,1270 6.452,1271 127.51,1272 127.51,1273 12,1274 12.135,1275 3.7,1276 2.807,1277 42.033,1278 69,1279 70,1280 0.303,1281 161.47,1282 276.07,1283 385.748,1284 4369,1286 16.276,1287 0.74,1288 0.572,1289 16.276,1290 12.575,1291 10.401,1292 0.452,1293 0.297,1294 6.715,1295 9.899,1296 6.488,1297 5.435,1298 10.401,1299 6.84,1300 9.646,1301 0.301,1302 0.162,1303 9.646,1304 5.174,1305 7.303,1306 0.187,1307 0.084,1308 7.303,1309 3.26,1310 5.92,1311 0.121,1312 0.046,1313 5.92,1314 2.251,1315 4.667,1316 0.078,1317 0.025,1318 4.667,1319 1.502,1320 0.463,1321 66.116,1322 0.264,1323 21.454,1324 0.863,1325 110,1326 349.95,1327 123.136,1328 337.219,1329 449.03,1330 312,1331 126,1332 321.82,1333 138.084,1334 328.546,1335 472.13,1336 305,1337 4.444}
{0 CHEMBL303102,1 1.882,2 9.286,3 3.171,4 10.057,5 84.831,6 10.131,7 0.696,8 3.626,9 3.739,10 3.426,11 3.177,12 4.888,13 3.19,14 4.07,15 4.205,16 3.849,17 3.576,18 5.386,19 3.56,20 4.281,21 4.443,22 3.908,23 3.651,24 5.501,25 3.611,26 4.29,27 4.465,28 3.907,29 3.563,30 5.628,31 3.496,32 4.248,33 4.479,34 3.38,35 3.367,36 5.409,37 3.275,38 3.999,39 4.228,40 3.377,41 3.3,42 5.032,43 3.205,44 3.867,45 4.032,46 3.514,47 3.242,48 5.133,49 3.181,50 3.84,51 4.037,52 3.504,53 3.044,54 5.242,55 3.012,56 0.162,57 0.51,58 3.525,59 2.23,60 15.442,61 2.198,62 0.284,63 0.767,64 6.507,65 3.953,66 21.695,67 4.504,68 0.392,69 0.831,70 14.504,71 5.214,72 31.795,73 5.751,74 0.537,75 0.793,76 18.713,77 5.511,78 47.096,79 6.25,80 0.625,81 0.714,82 18.752,83 5.127,84 61.05,85 5.558,86 0.307,87 0.578,88 13.823,89 4.719,90 31.249,91 5.977,92 0.289,93 0.506,94 11.912,95 3.76,96 24.022,97 4.252,98 0.402,99 0.447,100 12.401,101 3.342,102 35.628,103 3.592,104 17,105 33,106 0.349,107 0.761,108 0.865,109 0.904,110 0.904,111 0.904,112 3.103,113 0.889,114 -4.24,115 -4.18,116 -3.95,119 40.6,125 1,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 1,158 1,159 1,166 2,169 1,170 2,172 2,173 4,175 5,178 4,182 2,187 5,189 3,196 2,197 4,198 1,200 2,201 3,204 1,210 2,211 1,212 2,215 4,218 1,226 1,229 3,234 2,238 1,239 4,240 1,241 1,246 6,251 3,254 1,265 2,270 1,273 524,274 13.878,275 13.878,276 13.878,277 13.878,278 13.878,279 11.822,280 16.566,281 7.999,282 14.433,283 11.332,284 11.332,285 11.332,286 11.332,287 11.332,288 8.265,289 21.636,290 3.792,291 12.354,292 3.118,293 0.899,294 0.336,295 0.125,296 0.125,297 0.125,298 3.779,299 2,300 1,301 1,302 1,303 418,304 2.449,306 43.06,307 118.795,310 80.852,314 1.252,315 23.961,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 46.167,327 195,328 4.638,329 3.307,330 6.78,331 4.151,332 3.189,333 4.608,334 0.657,335 11.108,336 3.072,337 4.229,338 3.223,339 6.058,340 3.77,341 2.851,342 3.879,344 8.705,345 2.583,346 3.709,347 2.741,348 5.306,349 3.265,350 2.339,351 3.155,353 6.696,354 2.16,355 3.464,356 2.532,357 5.063,358 2.994,359 2.121,360 2.796,362 5.825,363 1.791,364 3.405,365 2.184,366 4.961,367 2.884,368 1.98,369 2.77,371 5.786,372 1.778,373 3.062,374 2.08,375 4.762,376 2.679,377 1.746,378 2.235,380 4.987,381 1.607,382 2.839,383 1.811,384 4.17,385 2.355,386 1.451,387 1.97,389 3.748,390 1.238,391 2.309,392 1.013,393 3.589,394 1.802,395 0.876,396 1.229,398 2.13,399 0.805,400 1.933,401 0.879,402 3.278,403 1.607,404 0.695,405 0.838,407 1.693,408 0.617,409 1.274,410 0.464,411 2.701,412 0.887,413 0.019,414 0.023,415 0.046,416 0.015,417 1.07,418 0.256,419 2.586,420 0.592,421 -0.3,422 -0.39,423 -0.786,424 -0.26,425 0.811,426 -0.03,427 2.359,428 0.384,429 -0.507,430 -0.616,431 -1.235,432 -0.293,433 0.787,434 -0.23,435 2.238,436 0.27,437 -0.516,438 -0.622,439 -1.243,440 -0.446,441 0.338,442 -0.547,443 2,444 0.02,445 -0.872,446 -1.045,448 -2.307,449 -0.743,450 0.123,451 -0.926,452 1.88,453 -0.323,454 -1.16,455 -1.485,457 -3.049,458 -0.996,459 10.262,460 0.489,461 0.63,462 0.03,463 30,464 1.429,465 15.5,466 0.738,467 14.5,468 0.69,469 14.269,470 0.679,471 22.138,472 0.692,473 19.738,474 0.94,475 5.956,476 0.284,477 4.085,478 0.195,479 0.211,481 0.39,485 1.003,486 1.228,487 0.538,488 0.655,489 1.032,490 0.643,491 0.598,492 0.982,493 0.572,494 0.767,495 0.477,496 0.795,497 1.027,498 1.309,499 0.988,500 1.114,501 0.906,502 1.055,503 0.838,504 1.087,505 0.94,506 1.162,507 0.823,508 1.21,509 1.323,510 0.62,511 1.037,512 0.82,513 1.521,514 1.042,515 0.742,516 0.899,517 0.695,518 0.801,519 0.744,520 0.853,521 1.013,522 1.099,523 1.186,524 1.168,525 0.988,526 1.083,527 1.116,528 0.981,529 0.962,530 0.946,531 1.06,532 0.862,533 5,534 0.033,535 2.667,536 1.91,537 1.223,538 0.483,539 0.36,540 0.346,541 0.17,542 0.198,543 4346,544 17089,545 2.045,546 34.4,548 5,549 1,551 5,555 1.629,556 1.881,557 3.157,558 2.892,560 1,562 1,564 60.231,565 1.882,566 4.101,567 4.664,568 4.875,569 4.875,570 4.875,571 2.589,572 4.202,573 4.367,574 3.284,575 689.703,576 7.467,577 7288.07,578 1,579 1,580 1,581 1,582 160,583 1.51,584 4.305,585 0.217,586 0.005,587 0.081,588 0.06,589 0.045,590 0.027,591 0.019,592 0.017,593 0.01,594 0.018,595 0.499,596 0.17,597 1,598 0.665,599 94.809,600 -0.26,601 -0.037,602 -0.035,603 0.143,604 -0.272,605 0.116,606 0.124,607 0.161,608 0.045,609 0.079,610 0.164,611 0.033,612 -0.158,613 -0.288,614 -0.103,615 -0.187,616 -0.114,617 -0.141,618 0.167,619 -0.105,620 -0.007,621 -0.219,622 0.173,623 -0.277,624 -0.236,625 0.31,626 -0.18,627 0.129,628 -0.323,629 -0.045,630 0.012,631 -0.009,632 0.161,633 0.215,634 0.006,635 0.259,636 -0.071,637 -0.137,638 -0.111,639 -0.169,640 -0.089,641 -0.112,642 0.058,643 -0.061,644 0.135,645 0.044,646 0.15,647 0.122,648 1.822,649 3.888,650 0.714,651 14.522,652 1.032,653 1.133,654 3.009,655 9.052,656 0.726,657 3.178,658 3.526,659 3.784,660 4.06,661 4.19,662 4.234,663 4.22,664 4.331,665 4.331,666 4.357,667 5.369,668 0.706,669 324.19,670 3.178,671 4.727,672 5.58,673 6.469,674 7.336,675 8.229,676 9.102,677 9.996,678 10.873,679 11.768,680 15.6,684 1,685 1,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 1,712 1,715 1,717 2,718 32,719 16,720 1,721 23,723 34,724 13,725 12,726 3,727 3,729 3,730 4,731 2,741 12,742 1,753 1,754 1,757 11,758 5,759 5,760 8,761 2,764 5,769 0.667,770 1,776 1,777 1,780 1,781 2,784 1,802 2,807 2,810 21,811 1,815 1,816 1,817 1,828 2,829 3.1,831 1,836 11.167,837 5.552,838 4.528,839 1.641,840 3.132,841 1.459,842 1,843 3.904,844 9.951,845 3.466,846 4.155,847 4.776,848 5.396,849 5.86,850 6.119,851 6.358,852 6.732,853 6.832,854 7.058,855 1,856 32,857 7.669,859 3.296,860 7.979,861 14.156,863 11.471,865 2.479,866 52.056,870 70.627,871 58.713,872 101.265,873 78.297,874 42.683,877 58.713,878 191.607,879 101.265,881 2.106,882 70.373,883 95.98,884 32.302,885 13.67,886 58.856,887 78.297,888 70.627,889 159.977,890 42.683,891 78.297,893 70.627,894 42.683,897 22.506,898 85.89,899 129.879,901 70.627,902 143.948,903 137.01,906 70.627,907 21.237,908 37.476,909 34.796,910 187.449,911 70.627,912 143.948,913 137.01,915 0.593,916 0.344,917 0.188,918 0.094,919 17,920 8,921 0.088,922 3,923 1,924 1.133,925 3.316,926 161.144,927 0.133,928 15,929 92.239,933 14.407,934 5.69,935 2.912,936 1.015,937 127.162,938 6.914,939 7.771,940 2.945,943 2.492,945 110.377,946 351.585,947 31,956 33.018,957 36.25,958 0.376,959 0.82,960 0.933,961 0.975,962 0.975,963 0.975,964 4.7,965 0.876,966 5.587,967 3.748,968 4.205,969 4.84,970 0.623,971 6.412,972 4.04,973 5.948,974 0.695,975 7.159,976 2.13,977 3.892,978 4.808,980 7.338,981 3.604,982 7.281,983 0.019,984 8.826,985 1.693,986 5.814,987 7.155,988 0.317,989 10.438,990 5.534,991 8.65,992 -0.3,993 10.55,994 0.046,995 6.275,996 7.927,998 12.21,999 5.908,1000 10.049,1001 -0.507,1002 12.311,1003 -0.786,1004 7.711,1005 9.777,1006 0.149,1007 14.846,1008 7.341,1009 11.47,1010 -0.516,1011 14.099,1012 -1.235,1013 8.536,1014 10.938,1016 16.987,1017 8.108,1018 12.909,1019 -0.872,1020 15.909,1021 -1.243,1022 9.785,1023 12.587,1024 0.067,1025 19.465,1026 9.341,1027 3.189,1028 -1.16,1029 17.736,1030 -2.307,1031 10.782,1032 13.937,1034 21.761,1035 10.295,1036 2.851,1037 11.108,1038 19.577,1039 -3.049,1040 11.958,1041 15.504,1042 0.03,1043 24.186,1044 11.449,1045 2.339,1046 8.705,1047 21.43,1048 4.608,1049 13.035,1050 16.945,1052 26.545,1053 12.489,1054 2.121,1055 6.696,1056 23.293,1057 3.879,1058 14.186,1059 18.48,1060 0.013,1061 28.953,1062 13.614,1063 1.98,1064 5.825,1065 25.164,1066 3.155,1067 15.299,1068 19.962,1070 31.339,1071 14.695,1072 1.746,1073 5.786,1074 27.041,1075 2.796,1076 16.444,1077 21.487,1078 0.006,1079 33.743,1080 15.811,1081 1.451,1082 4.987,1083 28.924,1084 2.77,1085 17.574,1086 22.99,1088 36.139,1089 16.91,1090 4259,1091 8544,1092 15.027,1093 23.244,1094 34.917,1095 35.374,1096 36.285,1097 34.814,1098 34.536,1099 47.004,1100 1.315,1101 101.447,1102 31.332,1103 5.478,1104 5.307,1105 6.16,1106 5.224,1107 5.189,1108 7.608,1109 1.315,1110 17.998,1111 5.072,1112 11.29,1113 1.518,1114 1.538,1115 1.578,1116 1.514,1117 1.502,1118 2.044,1119 0.057,1120 4.411,1121 1.362,1122 4.107,1123 4.15,1124 4.113,1125 3.97,1126 6.476,1127 3.991,1128 3.9,1129 3.922,1130 4.049,1131 3.844,1132 5.221,1133 3.837,1134 3.449,1135 3.526,1136 3.596,1137 3.214,1138 5.024,1139 3.246,1140 3.208,1141 3.3,1142 3.384,1143 2.962,1144 4.812,1145 2.979,1146 2.999,1147 3.061,1148 3.174,1149 2.799,1150 4.633,1151 2.774,1152 2.88,1153 2.922,1154 2.956,1155 2.705,1156 4.243,1157 2.737,1158 2.777,1159 2.824,1160 2.828,1161 2.609,1162 4.124,1163 2.61,1164 2.483,1165 2.585,1166 2.371,1167 2.186,1168 3.879,1169 2.201,1170 0.202,1171 0.144,1172 0.295,1173 0.18,1174 0.139,1175 4.638,1176 0.2,1177 3.307,1178 0.029,1179 6.78,1180 0.483,1181 4.151,1182 0.134,1183 3.189,1184 4.608,1185 0.657,1186 11.108,1187 3.072,1188 1.888,1189 1.867,1190 1.951,1191 2.008,1192 1.117,1193 1.989,1194 1.801,1195 1.773,1196 1.837,1197 1.954,1198 0.999,1199 1.935,1200 1.549,1201 1.485,1202 1.698,1203 1.749,1204 0.721,1205 1.747,1206 1.113,1207 1.026,1208 1.346,1209 1.446,1210 0.368,1211 1.427,1212 0.964,1213 0.887,1214 1.207,1215 1.289,1216 0.171,1217 1.272,1218 0.868,1219 0.824,1220 1.1,1221 1.022,1222 0.027,1223 1.062,1224 0.706,1225 0.663,1226 0.877,1227 0.987,1229 0.959,1230 0.491,1231 0.435,1232 0.756,1233 0.785,1235 0.804,1236 3.85,1238 5.187,1239 2.398,1240 6.711,1241 4.727,1242 8.326,1243 6.843,1244 9.99,1247 11.946,1250 5.485,1251 9.888,1252 0.433,1253 3.168,1262 22.584,1263 60.231,1264 131.245,1265 149.245,1266 156,1267 156,1268 156,1269 31.486,1270 6.819,1271 99.85,1272 99.85,1273 17,1274 12.297,1275 4.087,1276 3.17,1277 32.296,1278 68,1279 65,1280 0.238,1281 147.432,1282 239.41,1283 351.495,1284 7672,1285 6.3,1286 14.983,1287 0.713,1288 0.581,1289 15.983,1290 12.203,1291 10.042,1292 0.437,1293 0.296,1294 6.024,1295 9.081,1296 5.865,1297 4.82,1298 10.619,1299 6.813,1300 9.462,1301 0.287,1302 0.16,1303 10.241,1304 5.264,1305 7.651,1306 0.178,1307 0.083,1308 8.266,1309 3.56,1310 6.729,1311 0.118,1312 0.044,1313 7.425,1314 2.532,1315 4.776,1316 0.073,1317 0.022,1318 5.134,1319 1.455,1320 0.37,1321 69.192,1322 0.258,1323 20.749,1324 0.659,1325 112,1326 359.825,1327 154.051,1328 413.562,1329 544.52,1330 382,1331 132,1332 359.897,1333 164.447,1334 384.025,1335 562.84,1336 361,1337 4.824}
{0 CHEMBL303654,1 1.75,2 14.647,3 0.75,4 0.562,5 121.381,6 8.33,7 0.472,8 4.14,9 4.253,10 3.757,11 3.607,12 5.466,13 3.636,14 4.608,15 4.751,16 4.124,17 3.986,18 6.034,19 3.986,20 4.9,21 5.075,22 4.202,23 4.154,24 6.168,25 4.136,26 5.013,27 5.206,28 4.179,29 4.16,30 6.313,31 4.135,32 5.005,33 5.203,34 4.161,35 4.116,36 6.432,37 4.087,38 4.924,39 5.125,40 4.085,41 4.038,42 6.424,43 4,44 4.8,45 4.996,46 3.988,47 3.939,48 6.215,49 3.909,50 4.709,51 4.911,52 3.909,53 3.809,54 6.183,55 3.79,56 0.259,57 0.852,58 9.572,59 4.345,60 41.576,61 5.071,62 0.627,63 1.294,64 17.025,65 7.421,66 96.5,67 9.301,68 0.794,69 1.583,70 25.78,71 9.307,72 120.366,73 11.935,74 1.003,75 1.635,76 31.433,77 10.376,78 160.604,79 13.206,80 1.16,81 1.545,82 32.412,83 10.449,84 196.442,85 13.661,86 1.222,87 1.404,88 30.43,89 10.147,90 203.281,91 13.163,92 0.874,93 1.262,94 26.355,95 9.077,96 151.17,97 11.902,98 0.897,99 1.166,100 24.107,101 7.384,102 140.941,103 9.914,104 79,105 50,106 0.285,107 0.676,108 0.819,109 0.888,110 0.894,111 0.894,112 3.56,113 0.839,114 -3.1,115 -3.09,116 -2.98,119 39.3,121 2,125 1,127 1,139 7,140 3,141 1,143 1,144 1,147 1,153 4,157 2,158 2,159 2,161 2,165 2,166 9,167 1,169 2,170 8,172 3,173 6,175 4,176 1,178 8,179 2,180 1,182 11,185 1,186 1,187 6,189 4,190 1,191 1,193 13,194 1,195 1,196 1,197 1,198 7,199 1,200 2,201 3,202 1,203 1,204 4,205 1,206 1,207 7,208 2,210 2,211 1,212 4,213 2,215 9,216 2,218 3,220 4,221 5,222 1,223 1,224 4,225 1,226 3,229 13,230 3,231 1,233 1,234 3,237 1,239 3,241 8,242 2,245 3,246 8,247 1,248 2,249 3,251 5,254 2,255 2,256 2,259 1,260 9,263 1,265 6,270 2,273 2192,274 22.248,275 22.248,276 22.248,277 22.248,278 22.248,279 19.653,280 27.315,281 12.964,282 22.583,283 17.665,284 17.665,285 17.665,286 17.665,287 17.665,288 13.631,289 32.02,290 6.063,291 18.163,292 4.058,293 1.659,294 0.779,295 0.357,296 0.321,297 0.321,298 4.237,301 1,303 1034,304 4.848,307 346.247,311 185.82,314 2.374,315 59.109,318 0.5,319 0.5,320 0.5,321 0.4,323 0.5,324 0.5,325 0.41,326 77,327 498,328 4.542,329 3.777,330 6.503,331 4.055,332 3.085,333 4.491,334 2.375,335 10.183,336 2.996,337 4.242,338 3.592,339 6.188,340 3.913,341 2.931,342 3.804,343 2.341,344 9.183,345 2.883,346 3.999,347 3.522,348 6.079,349 3.76,350 2.798,351 3.307,352 1.23,353 8.787,354 2.682,355 3.832,356 3.324,357 5.817,358 3.567,359 2.572,360 3.172,361 1.061,362 7.843,363 2.538,364 3.711,365 3.108,366 5.297,367 3.301,368 2.333,369 2.997,370 0.521,371 6.806,372 2.26,373 3.524,374 2.618,375 5.062,376 3.178,377 2.172,378 2.811,379 0.14,380 5.804,381 2.155,382 3.428,383 2.497,384 4.973,385 2.973,386 2.036,387 2.695,389 5.761,390 1.899,391 3.371,392 2.187,393 4.645,394 2.91,395 1.956,396 2.685,398 5.121,399 1.859,400 3.054,401 2.145,402 4.415,403 2.632,404 1.639,405 2.144,407 4.274,408 1.613,409 2.714,410 2.05,411 4.091,412 2.299,413 1.306,414 1.688,415 3.37,416 1.278,417 2.5,418 1.939,419 3.709,420 2.086,421 1.066,422 1.5,423 2.565,424 1.072,425 2.467,426 1.25,427 3.607,428 2,429 1.006,430 1.431,431 2.551,432 1,433 2.452,434 1.103,435 3.414,436 1.981,437 1,438 1.341,439 2.275,440 0.979,441 1.962,442 1.057,443 2.989,444 1.468,445 0.421,446 0.579,448 0.782,449 0.432,450 1.571,451 1,452 2.839,453 1.342,454 0.342,455 0.386,457 0.776,458 0.335,459 15.4,460 0.453,461 1,462 0.029,463 45.75,464 1.346,465 23.5,466 0.691,467 22.25,468 0.654,469 26.24,470 0.772,471 37.4,472 0.668,473 41.717,474 1.227,475 9.479,476 0.279,477 6.693,478 0.197,479 0.182,481 0.383,485 0.871,486 1.277,487 0.761,488 0.985,489 0.765,490 0.851,491 0.463,492 1.081,493 0.744,494 1.051,495 0.451,496 0.993,497 0.912,498 1.188,499 1.009,500 1.088,501 0.862,502 1.074,503 1.115,504 1.066,505 1.114,506 1.07,507 1.075,508 1.087,509 0.981,510 1.003,511 1.027,512 1.035,513 1.014,514 1.043,515 0.805,516 0.748,517 0.967,518 0.952,519 0.881,520 1,521 0.887,522 1.091,523 0.903,524 1.09,525 0.87,526 1.028,527 0.907,528 0.98,529 0.977,530 0.977,531 0.905,532 0.994,533 8.5,534 0.248,535 4.222,536 2.313,537 2.28,538 1.236,539 0.811,540 0.613,541 0.468,542 0.278,543 17052,544 63710,545 1.96,546 39.3,548 10,550 1,551 7,552 2,553 2,555 1.757,556 1.789,557 3.798,558 4.052,560 1,564 97.977,565 1.75,566 4.148,567 5.028,568 5.45,569 5.486,570 5.486,571 3.263,572 4.617,573 5.058,574 4.007,575 2248.02,576 8.852,577 36035.9,582 325.212,583 1.549,584 4.989,585 0.236,586 0.009,587 0.084,588 0.044,589 0.046,590 0.026,591 0.018,592 0.015,593 0.013,594 0.008,595 0.499,596 0.17,597 0.75,598 1.698,599 185.572,600 -0.175,601 -0.034,602 -0.032,603 0.089,604 -0.133,605 0.082,606 0.231,607 0.092,608 0.053,609 0.007,610 0.178,611 -0.026,612 -0.115,613 -0.11,614 -0.126,615 -0.066,616 -0.106,617 -0.093,618 -0.194,619 -0.064,620 -0.159,621 -0.073,622 -0.158,623 -0.1,624 -0.017,625 -0.045,626 -0.04,627 -0.034,628 -0.018,629 -0.038,630 0.166,631 0.198,632 0.031,633 0.055,634 0.115,635 0.016,636 0.034,637 -0.155,638 0.079,639 -0.051,640 0.062,641 0.012,642 0.054,643 0.001,644 0.014,645 -0.006,646 0.062,647 -0.01,648 2.998,649 5.389,650 0.471,651 41.702,652 1.029,653 1.135,654 1.868,655 3.489,656 0.658,657 3.611,658 3.932,659 4.143,660 4.357,661 4.585,662 4.635,663 4.718,664 4.787,665 4.905,666 4.89,667 8.515,668 0.654,669 466.5,670 3.611,671 5.153,672 5.984,673 6.853,674 7.705,675 8.576,676 9.436,677 10.308,678 11.173,679 12.046,680 10.7,684 2,687 2,690 2,694 2,695 7,696 2,700 5,702 17,707 1,711 2,718 56,719 21,720 2,721 36,723 58,724 22,725 14,726 5,727 7,728 1,729 3,730 4,739 3,741 18,742 4,744 4,748 4,749 1,751 3,754 1,757 22,758 12,759 7,760 12,764 6,769 0.667,770 6,776 1,781 3,785 1,791 1,792 2,800 2,802 2,810 34,811 2,815 2,816 3,817 1,820 1,821 1,829 10.7,831 2,832 4,836 19,837 9.583,838 7.556,839 2.947,840 3.451,841 1.449,842 0.931,843 7.995,844 11.142,845 3.902,846 4.477,847 4.996,848 5.55,849 6.129,850 6.402,851 6.76,852 7.085,853 7.46,854 7.54,855 0.9,856 53,857 12.605,859 5.5,860 8.353,861 22.541,863 17.995,865 2.853,866 97,870 176.567,871 109.1,872 120.5,874 185.946,877 109.1,878 362.513,879 120.5,881 28.31,882 132.128,883 248.808,884 13.845,885 4.227,886 164.795,888 176.567,889 229.601,890 185.946,893 153.024,894 209.489,897 32.353,898 163.677,899 33.571,901 176.567,902 306.447,903 109.1,906 176.567,907 31.771,908 80.453,909 18.011,910 285.312,911 176.567,912 306.447,913 109.1,915 0.583,916 0.329,917 0.169,918 0.096,919 21,920 12,921 0.155,922 9,923 1,924 1.125,925 4.389,926 299.511,927 0.125,928 16,929 168.974,933 24.893,934 10.919,935 6.414,936 1.172,937 306.447,938 11.198,939 8.048,943 1.691,945 169.172,946 592.114,947 48.5,951 46.068,952 0.633,954 -3.168,956 57.643,957 63.568,958 0.301,959 0.714,960 0.866,961 0.939,962 0.945,963 0.945,964 5.137,965 1.956,966 5.984,967 5.761,968 4.615,969 5.165,970 3.192,971 6.774,972 4.562,973 6.352,974 1.639,975 7.541,976 5.121,977 4.29,978 5.056,979 2.903,980 7.647,981 4.202,982 7.657,983 1.306,984 9.191,985 4.274,986 6.201,987 7.346,988 4.426,989 10.69,990 6.092,991 8.993,992 1.066,993 10.895,994 3.37,995 6.621,996 8.009,997 4.837,998 12.337,999 6.481,1000 10.357,1001 1.006,1002 12.631,1003 2.565,1004 8.045,1005 9.837,1006 5.96,1007 14.907,1008 7.884,1009 11.74,1010 1,1011 14.39,1012 2.551,1013 8.809,1014 10.885,1015 6.634,1016 16.893,1017 8.618,1018 13.139,1019 0.421,1020 16.166,1021 2.275,1022 10.036,1023 12.522,1024 7.607,1025 19.287,1026 9.823,1027 3.085,1028 0.342,1029 17.954,1030 0.782,1031 10.968,1032 13.782,1033 8.386,1034 21.43,1035 10.726,1036 2.931,1037 10.183,1038 19.752,1039 0.776,1040 12.113,1041 15.334,1042 9.296,1043 23.755,1044 11.848,1045 2.798,1046 9.183,1047 21.558,1048 4.491,1049 13.127,1050 16.708,1051 10.118,1052 25.974,1053 12.834,1054 2.572,1055 8.787,1056 23.37,1057 3.804,1058 14.239,1059 18.223,1060 11,1061 28.275,1062 13.921,1063 2.333,1064 7.843,1065 25.189,1066 3.307,1067 15.295,1068 19.657,1069 11.843,1070 30.531,1071 14.949,1072 2.172,1073 6.806,1074 27.011,1075 3.172,1076 16.396,1077 21.158,1078 12.712,1079 32.826,1080 16.024,1081 2.036,1082 5.804,1083 28.838,1084 2.997,1085 17.473,1086 22.622,1087 13.563,1088 35.103,1089 17.074,1090 16896,1091 32762,1092 22.887,1093 36.852,1094 54.534,1095 57.067,1096 55.924,1097 53.587,1098 53.388,1099 70.144,1100 15.337,1101 152.286,1102 52.02,1103 5.453,1104 5.777,1105 6.027,1106 5.126,1107 5.085,1108 7.491,1109 3.989,1110 17.077,1111 4.996,1112 22.87,1113 1.515,1114 1.585,1115 1.553,1116 1.489,1117 1.483,1118 1.948,1119 0.426,1120 4.23,1121 1.445,1122 4.08,1123 4.115,1124 4.047,1125 3.991,1126 7.478,1127 3.999,1128 3.945,1129 3.973,1130 3.898,1131 3.859,1132 7.471,1133 3.863,1134 3.763,1135 3.801,1136 3.679,1137 3.588,1138 7.452,1139 3.6,1140 3.575,1141 3.628,1142 3.511,1143 3.378,1144 7.428,1145 3.405,1146 3.456,1147 3.477,1148 3.395,1149 3.196,1150 6.352,1151 3.239,1152 3.356,1153 3.389,1154 3.299,1155 3.097,1156 6.35,1157 3.141,1158 3.149,1159 3.237,1160 3.093,1161 2.918,1162 5.307,1163 2.937,1164 3.13,1165 3.153,1166 3.022,1167 2.849,1168 4.982,1169 2.896,1170 0.126,1171 0.105,1172 0.181,1173 0.113,1174 0.086,1175 4.542,1176 0.125,1177 3.777,1178 0.066,1179 6.503,1180 0.283,1181 4.055,1182 0.083,1183 3.085,1184 4.491,1185 2.375,1186 10.183,1187 2.996,1188 2.023,1189 1.996,1190 2.093,1191 2.133,1192 1.245,1193 2.121,1194 1.911,1195 1.887,1196 2.005,1197 2.023,1198 1.22,1199 2.016,1200 1.703,1201 1.662,1202 1.897,1203 1.904,1204 1.094,1205 1.898,1206 1.494,1207 1.441,1208 1.633,1209 1.723,1210 0.77,1211 1.702,1212 1.319,1213 1.292,1214 1.477,1215 1.614,1216 0.582,1217 1.568,1218 1.228,1219 1.19,1220 1.41,1221 1.517,1222 0.358,1223 1.481,1224 1.055,1225 0.993,1226 1.294,1227 1.386,1228 0.236,1229 1.371,1230 0.98,1231 0.952,1232 1.181,1233 1.312,1234 0.218,1235 1.243,1236 4.29,1238 5.609,1240 7.111,1242 8.698,1244 10.334,1250 11.519,1251 17.92,1252 -0.448,1253 2.299,1256 -1.339,1257 1.407,1262 36.632,1263 97.977,1264 232.299,1265 281.56,1266 305.212,1267 307.212,1268 307.212,1269 107.096,1270 7.69,1271 201.83,1272 201.83,1273 18,1274 12.589,1275 4.459,1276 3.755,1277 67.684,1278 175,1279 162,1280 0.187,1281 229.236,1282 406.44,1283 551.096,1284 24480,1286 24.828,1287 0.73,1288 0.525,1289 24.828,1290 17.841,1291 16.172,1292 0.449,1293 0.28,1294 9.885,1295 15.372,1296 9.737,1297 8.04,1298 16.172,1299 10.067,1300 14.924,1301 0.298,1302 0.148,1303 14.924,1304 7.395,1305 11.547,1306 0.186,1307 0.081,1308 11.547,1309 4.999,1310 9.232,1311 0.12,1312 0.043,1313 9.232,1314 3.273,1315 7.466,1316 0.077,1317 0.022,1318 7.466,1319 2.171,1320 0.302,1321 103.003,1322 0.209,1323 31.976,1324 0.489,1325 172,1326 635.134,1327 195.472,1328 606.105,1329 787.64,1330 556,1331 198,1332 548.162,1333 218.071,1334 552.046,1335 795.99,1336 516,1337 8.31}
{0 CHEMBL30403,1 1.565,2 9.273,3 2.004,4 4.018,5 87.518,6 7.574,7 0.64,8 3.8,9 3.931,10 3.389,11 3.312,12 4.917,13 3.313,14 4.322,15 4.496,16 3.776,17 3.723,18 5.414,19 3.701,20 4.54,21 4.735,22 3.784,23 3.843,24 5.507,25 3.786,26 4.639,27 4.872,28 3.723,29 3.807,30 5.623,31 3.716,32 4.566,33 4.812,34 3.477,35 3.676,36 5.498,37 3.582,38 4.441,39 4.708,40 3.306,41 3.587,42 5.304,43 3.451,44 4.266,45 4.541,46 3.129,47 3.37,48 5.138,49 3.247,50 4.037,51 4.314,52 2.925,53 3.146,54 4.936,55 3.035,56 0.049,57 0.633,58 8.006,59 3.103,60 8.974,61 4.181,62 0.242,63 0.999,64 14.886,65 5.598,66 21.385,67 7.612,68 0.218,69 1.161,70 19.353,71 6.898,72 17.749,73 9.663,74 0.355,75 1.179,76 22.986,77 8.044,78 36.473,79 11.612,80 0.405,81 1.072,82 22.294,83 6.435,84 37.478,85 9.226,86 0.236,87 0.952,88 19.387,89 6.581,90 26.689,91 9.728,92 0.228,93 0.76,94 16.89,95 5.464,96 24.867,97 8.037,98 0.186,99 0.609,100 13.459,101 4.092,102 20.485,103 6.127,104 5,105 36,106 0.277,107 0.649,108 0.762,109 0.833,110 0.846,111 0.846,112 3.147,113 0.876,114 -3.95,115 -3.91,116 -3.7,119 41,121 1,125 3,139 5,140 3,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 8,169 2,170 6,172 3,173 3,175 1,178 7,180 1,181 1,182 6,187 1,189 3,191 1,192 1,193 5,195 3,196 3,197 1,198 2,200 2,201 1,204 2,205 1,206 1,207 2,212 1,215 3,218 1,220 1,221 2,223 1,224 1,226 1,229 5,231 1,234 3,236 1,237 1,241 5,246 4,251 1,254 3,256 1,260 4,265 3,268 1,270 3,273 556,274 15.033,275 15.033,276 15.033,277 15.033,278 15.033,279 13.054,280 18.919,281 8.851,282 15.31,283 12.399,284 12.399,285 12.399,286 12.399,287 12.399,288 9.425,289 26.265,290 4.278,291 12.861,292 3.72,293 1.621,294 0.984,295 0.583,296 0.513,297 0.513,298 3.849,300 1,301 1,302 1,303 455,304 2.236,306 32.089,307 151.393,310 128.05,314 1.545,315 17.915,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 47.5,327 204,328 4.714,329 3.427,330 6.926,331 4.271,332 3.289,333 4.684,334 0.995,335 11.679,336 3.234,337 3.965,338 3.001,339 5.856,340 3.659,341 2.705,342 3.461,343 0.359,344 8.203,345 2.593,346 3.861,347 2.667,348 5.513,349 3.452,350 2.482,351 3.352,353 7.362,354 2.401,355 3.458,356 2.34,357 5.168,358 3.087,359 2.154,360 2.823,362 6.21,363 2,364 3.38,365 2.15,366 5.035,367 2.973,368 2.024,369 2.615,371 5.938,372 1.92,373 3.1,374 1.911,375 4.895,376 2.72,377 1.763,378 2.256,380 5.366,381 1.681,382 2.81,383 1.767,384 4.402,385 2.426,386 1.452,387 1.911,389 4.035,390 1.411,391 2.666,392 1.506,393 3.594,394 2.397,395 1.406,396 1.702,398 3.034,399 1.391,400 2.5,401 1,402 3.381,403 2,404 1,405 1.5,407 2.136,408 1,409 1.781,410 0.679,411 3.247,412 1.544,413 0.573,414 0.672,415 1.503,416 0.555,417 1.226,418 0.282,419 2.888,420 0.969,425 1.117,426 -0.042,427 2.727,428 0.711,429 -0.219,430 -0.28,431 -0.597,432 -0.203,433 0.809,434 -0.299,435 2.514,436 0.428,437 -0.495,438 -0.601,439 -1.235,440 -0.454,441 0.602,442 -0.418,443 2.261,444 0.31,445 -0.671,446 -0.79,448 -1.635,449 -0.661,450 0.5,451 -0.544,452 2.229,453 0.093,454 -0.849,455 -0.957,457 -2.347,458 -0.797,459 10.333,460 0.47,461 0.554,462 0.025,463 30.25,464 1.375,465 15,466 0.682,467 15.25,468 0.693,469 15.555,470 0.707,471 23.267,472 0.597,473 19.668,474 0.894,475 5.992,476 0.272,477 4.712,478 0.214,479 0.077,481 0.377,485 1.051,486 1.279,487 0.791,488 0.995,489 1.191,490 0.865,491 0.786,492 0.894,493 0.795,494 0.928,495 0.451,496 0.873,497 1.064,498 1.205,499 1.024,500 1.154,501 0.874,502 1.098,503 0.721,504 1.129,505 0.922,506 1.179,507 0.534,508 1.112,509 1.673,510 0.906,511 1.28,512 0.916,513 1.505,514 1.029,515 0.736,516 0.904,517 1.056,518 1.084,519 0.921,520 1.109,521 0.985,522 0.799,523 0.96,524 0.901,525 1.005,526 0.926,527 1.123,528 0.809,529 0.966,530 0.803,531 1.094,532 0.85,533 4.5,534 0.065,535 1.778,536 2.167,537 1.164,538 0.598,539 0.362,540 0.266,541 0.157,542 0.103,543 5251,544 13189,545 2.176,546 43.6,548 11,551 4,553 2,555 1.643,556 2.063,557 3.187,558 1.87,559 1,560 1,562 1,564 61.034,565 1.565,566 3.664,567 4.302,568 4.702,569 4.773,570 4.773,571 2.681,572 4.096,573 4.429,574 3.317,575 766.233,576 7.597,577 8212.8,578 1,579 1,581 1,582 206.131,583 1.322,584 4.403,585 0.18,586 0.006,587 0.049,588 0.062,589 0.038,590 0.025,591 0.018,592 0.016,593 0.011,594 0.008,595 0.413,596 0.5,597 1,598 0.517,599 100.473,600 -0.136,601 -0.078,602 0.042,603 0.024,604 -0.206,605 0.062,606 0.208,607 0.225,608 0.099,609 0.071,610 0.286,611 0.068,612 -0.056,613 -0.168,614 -0.103,615 -0.153,616 -0.083,617 -0.137,618 0.288,619 -0.192,620 0.054,621 -0.18,622 0.334,623 -0.119,624 -0.338,625 0.049,626 -0.261,627 0.016,628 -0.369,629 -0.096,630 0.023,631 0.027,632 -0.079,633 -0.098,634 -0.079,635 -0.101,636 -0.029,637 0.082,638 0.059,639 0.083,640 -0.047,641 0.085,642 -0.135,643 0.085,644 0.059,645 0.163,646 -0.072,647 0.148,648 1.516,649 2.367,650 0.864,651 17.868,652 1.004,653 1.133,654 2.722,655 7.41,656 0.668,657 3.258,658 3.611,659 3.912,660 4.263,661 4.5,662 4.615,663 4.779,664 4.956,665 4.984,666 5.037,667 5.438,668 0.641,669 295.38,670 3.258,671 4.812,672 5.68,673 6.583,674 7.47,675 8.382,676 9.279,677 10.196,678 11.1,679 12.02,680 12.8,683 1,684 2,690 2,694 2,695 5,696 2,698 1,700 5,702 16,711 2,718 39,719 16,720 1,721 25,723 42,724 16,725 12,726 1,727 5,729 4,730 7,736 1,739 1,741 12,742 4,753 1,754 1,756 1,757 17,758 6,759 4,760 6,764 5,769 0.5,770 1,776 1,780 1,781 3,784 2,799 1,802 2,810 22,811 2,816 4,821 1,829 2.6,834 1,836 10.667,837 6.85,838 4.694,839 2.236,840 3.065,841 1.413,842 1.054,843 3.245,844 10.493,845 3.526,846 4.186,847 4.813,848 5.474,849 5.991,850 6.294,851 6.659,852 7.051,853 7.165,854 7.367,855 1,856 35,857 8.099,859 3.505,860 7.644,861 15.62,863 13.183,865 2.144,866 47.167,870 153.024,871 79.26,872 102.49,874 9.507,877 79.26,878 162.532,879 102.49,881 8.852,882 113.176,883 37.978,884 21.576,885 9.676,886 153.024,888 153.024,889 181.75,890 9.507,893 129.482,894 33.05,897 18.282,898 129.896,899 33.571,901 153.024,902 111.997,903 79.26,906 153.024,907 31.879,908 50.506,910 108.873,911 153.024,912 111.997,913 79.26,915 0.586,916 0.34,917 0.199,918 0.109,919 20,920 8,921 0.048,922 2,923 2,924 1.211,925 3.492,926 181.671,927 0.211,928 19,929 94.107,933 13.552,934 5.267,935 2.461,936 1.32,937 111.997,938 10.426,939 8.192,941 5.867,943 3.896,945 65.794,946 344.282,947 33,956 39.138,957 44.192,958 0.296,959 0.693,960 0.814,961 0.89,962 0.903,963 0.903,964 4.771,965 1.406,966 5.673,967 4.035,968 4.29,969 4.871,970 1.114,971 6.512,972 4.222,973 5.991,974 1,975 7.239,976 3.034,977 3.892,978 4.745,979 0.325,980 7.427,981 3.784,982 7.312,983 0.573,984 8.904,985 2.136,986 5.9,987 7.144,988 0.897,989 10.583,990 5.774,991 8.669,993 10.629,994 1.503,995 6.312,996 7.876,997 0.504,998 12.387,999 6.166,1000 10.06,1001 -0.219,1002 12.395,1004 7.808,1005 9.762,1006 0.792,1007 15.071,1008 7.645,1009 11.479,1010 -0.495,1011 14.191,1012 -0.597,1013 8.623,1014 10.924,1015 0.585,1016 17.269,1017 8.451,1018 12.92,1019 -0.671,1020 16.012,1021 -1.235,1022 9.913,1023 12.599,1024 0.735,1025 19.797,1026 9.724,1027 3.289,1028 -0.849,1029 17.853,1030 -1.635,1031 10.926,1032 13.971,1033 0.622,1034 22.156,1035 10.729,1036 2.705,1037 11.679,1038 19.71,1039 -2.347,1040 12.137,1041 15.561,1042 0.703,1043 24.634,1044 11.925,1045 2.482,1046 8.203,1047 21.581,1048 4.684,1049 13.242,1050 17.029,1051 0.639,1052 27.055,1053 13.022,1054 2.154,1055 7.362,1056 23.463,1057 3.461,1058 14.428,1059 18.588,1060 0.683,1061 29.518,1062 14.194,1063 2.024,1064 6.21,1065 25.355,1066 3.352,1067 15.576,1068 20.099,1069 0.646,1070 31.961,1071 15.33,1072 1.763,1073 5.938,1074 27.255,1075 2.823,1076 16.756,1077 21.647,1078 0.67,1079 34.42,1080 16.497,1081 1.452,1082 5.366,1083 29.162,1084 2.615,1085 17.924,1086 23.176,1087 0.648,1088 36.872,1089 17.652,1090 4918,1091 7924,1092 17.107,1093 26.051,1094 38.068,1095 37.907,1096 38.45,1097 37.789,1098 37.696,1099 49.951,1100 2.707,1101 110.931,1102 36.374,1103 5.659,1104 5.427,1105 6.728,1106 5.343,1107 5.289,1108 7.684,1109 1.754,1110 18.831,1111 5.234,1112 8.164,1113 1.523,1114 1.516,1115 1.538,1116 1.512,1117 1.508,1118 1.998,1119 0.108,1120 4.437,1121 1.455,1122 4.125,1123 4.147,1124 4.102,1125 3.983,1126 5.355,1127 4.008,1128 3.907,1129 3.941,1130 3.836,1131 3.84,1132 4.983,1133 3.835,1134 3.632,1135 3.704,1136 3.547,1137 3.431,1138 4.927,1139 3.451,1140 3.265,1141 3.332,1142 3.178,1143 3.045,1144 4.752,1145 3.062,1146 3.147,1147 3.225,1148 3.01,1149 2.936,1150 4.223,1151 2.937,1152 3.059,1153 3.173,1154 2.888,1155 2.782,1156 4.053,1157 2.802,1158 2.871,1159 2.962,1160 2.691,1161 2.735,1162 3.76,1163 2.715,1164 2.854,1165 2.925,1166 2.687,1167 2.627,1168 3.674,1169 2.646,1170 0.189,1171 0.137,1172 0.277,1173 0.171,1174 0.132,1175 4.714,1176 0.187,1177 3.427,1178 0.04,1179 6.926,1180 0.467,1181 4.271,1182 0.129,1183 3.289,1184 4.684,1185 0.995,1186 11.679,1187 3.234,1188 1.929,1189 1.895,1190 2.06,1191 2.045,1192 1.32,1193 2.051,1194 1.847,1195 1.815,1196 1.954,1197 1.99,1198 1.122,1199 1.967,1200 1.672,1201 1.63,1202 1.771,1203 1.89,1204 0.837,1205 1.875,1206 1.198,1207 1.14,1208 1.458,1209 1.431,1210 0.69,1211 1.43,1212 1.115,1213 1.051,1214 1.388,1215 1.395,1216 0.589,1217 1.389,1218 0.982,1219 0.888,1220 1.27,1221 1.331,1222 0.218,1223 1.33,1224 0.886,1225 0.821,1226 1.181,1227 1.142,1228 0.217,1229 1.146,1230 0.799,1231 0.706,1232 1.094,1233 1.062,1235 1.107,1236 3.932,1238 5.273,1239 2.398,1240 6.812,1241 4.844,1242 8.447,1243 7.066,1244 10.131,1250 11.618,1252 3.494,1257 2.354,1262 24.983,1263 61.034,1264 142.911,1265 167.766,1266 183.376,1267 186.131,1268 186.131,1269 25.554,1270 7.428,1271 94.2,1272 94.2,1273 23,1274 12.532,1275 4.087,1276 3.17,1277 30.006,1278 73,1279 70,1280 0.211,1281 152.15,1282 248.53,1283 363.007,1284 16069,1286 15.104,1287 0.687,1288 0.551,1289 15.104,1290 12.12,1291 10.704,1292 0.428,1293 0.292,1294 7.191,1295 10.29,1296 7.056,1297 5.808,1298 10.704,1299 7.3,1300 9.97,1301 0.277,1302 0.155,1303 9.97,1304 5.597,1305 8.322,1306 0.17,1307 0.083,1308 8.322,1309 4.074,1310 7.711,1311 0.11,1312 0.044,1313 7.711,1314 3.07,1315 6.136,1316 0.069,1317 0.024,1318 6.136,1319 2.155,1320 0.326,1321 67.044,1322 0.242,1323 21.572,1324 0.591,1325 122,1326 327.295,1327 134.783,1328 321.294,1329 452.63,1330 302,1331 146,1332 350.709,1333 159.199,1334 354.69,1335 524.34,1336 334,1337 4.824}
{0 CHEMBL304397,1 1.705,2 14.697,3 1.633,4 2.665,5 122.423,6 7.939,7 0.486,8 4.149,9 4.27,10 3.729,11 3.615,12 5.423,13 3.631,14 4.628,15 4.789,16 4.101,17 3.995,18 6,19 3.984,20 4.908,21 5.09,22 4.166,23 4.163,24 6.135,25 4.13,26 5.031,27 5.241,28 4.121,29 4.178,30 6.241,31 4.124,32 5.027,33 5.245,34 4.082,35 4.14,36 6.348,37 4.073,38 4.951,39 5.18,40 4.018,41 4.062,42 6.345,43 3.986,44 4.818,45 5.03,46 3.919,47 3.959,48 6.153,49 3.896,50 4.739,51 4.966,52 3.758,53 3.829,54 5.958,55 3.774,56 0.205,57 0.865,58 10.763,59 4.497,60 32.471,61 5.663,62 0.554,63 1.316,64 19.277,65 7.637,66 84.75,67 10.16,68 0.673,69 1.6,70 27.465,71 9.509,72 96.361,73 12.855,74 0.825,75 1.666,76 33.584,77 10.836,78 125.333,79 14.815,80 0.996,81 1.585,82 34.479,83 11.014,84 164.999,85 15.4,86 1.073,87 1.445,88 32.729,89 10.817,90 167.5,91 15.101,92 0.735,93 1.291,94 27.711,95 9.443,96 122.472,97 13.036,98 0.689,99 1.208,100 26.055,101 7.409,102 96.555,103 10.46,104 74,105 49,106 0.278,107 0.667,108 0.812,109 0.879,110 0.885,111 0.885,112 3.531,113 0.859,114 -3.48,115 -3.46,116 -3.3,119 38.6,121 2,124 1,125 1,127 1,139 7,140 3,141 1,143 1,144 1,147 1,153 3,157 2,158 2,159 2,161 2,165 2,166 9,167 1,169 1,170 8,172 3,173 6,175 4,176 1,178 8,179 2,180 1,182 11,185 1,186 1,187 6,189 4,190 1,191 1,193 10,194 1,195 1,196 1,197 1,198 7,199 1,200 2,201 3,202 1,203 1,204 4,205 1,206 1,207 3,208 2,210 2,211 1,212 4,213 2,215 9,216 2,218 3,220 4,221 2,222 1,223 1,224 4,225 1,226 3,229 13,230 3,231 1,233 1,234 3,237 1,239 3,241 8,242 2,246 8,247 1,248 1,249 1,251 5,254 2,255 2,256 2,259 1,260 9,263 1,265 6,270 2,273 1988,274 21.378,275 21.378,276 21.378,277 21.378,278 21.378,279 18.861,280 26.293,281 12.441,282 21.697,283 17.228,284 17.228,285 17.228,286 17.228,287 17.228,288 13.344,289 32.22,290 5.908,291 17.741,292 4.127,293 1.735,294 0.849,295 0.434,296 0.399,297 0.399,298 4.207,301 1,303 1009,304 4.743,307 334.355,311 179.493,314 2.391,315 50.017,318 0.5,319 0.5,320 0.5,321 0.6,323 0.5,324 0.5,325 0.44,326 74,327 485,328 4.542,329 3.777,330 6.503,331 4.053,332 3.084,333 4.491,334 2.375,335 10.18,336 2.994,337 4.234,338 3.592,339 6.142,340 3.906,341 2.92,342 3.798,343 2.341,344 8.974,345 2.88,346 3.974,347 3.521,348 6.022,349 3.735,350 2.775,351 3.289,352 1.061,353 8.589,354 2.663,355 3.825,356 3.176,357 5.812,358 3.555,359 2.564,360 3.164,361 0.916,362 7.824,363 2.52,364 3.705,365 3.038,366 5.296,367 3.297,368 2.329,369 2.989,370 0.172,371 6.8,372 2.256,373 3.524,374 2.529,375 5.062,376 3.177,377 2.172,378 2.811,379 0.14,380 5.804,381 2.154,382 3.428,383 2.197,384 4.973,385 2.973,386 2.036,387 2.694,389 5.76,390 1.898,391 3.369,392 2.149,393 4.645,394 2.908,395 1.956,396 2.685,398 5.121,399 1.857,400 2.966,401 2.064,402 4.315,403 2.559,404 1.573,405 2.034,407 4.051,408 1.536,409 2.534,410 1.979,411 3.981,412 2.228,413 1.244,414 1.5,415 3.155,416 1.207,417 2.5,418 1.359,419 3.709,420 2.021,421 1.026,422 1.488,423 2.565,424 1.012,425 2.454,426 1.104,427 3.601,428 2,429 1,430 1.423,431 2.524,432 1,433 2.374,434 1.058,435 3.414,436 1.976,437 1,438 1.279,439 2.275,440 0.973,441 1.571,442 1,443 2.927,444 1.343,445 0.342,446 0.386,448 0.776,449 0.336,450 1.497,451 0.548,452 2.793,453 1.124,454 0.169,455 0.213,457 0.424,458 0.161,459 15.067,460 0.457,461 1.038,462 0.031,463 43.5,464 1.318,465 22,466 0.667,467 21.5,468 0.652,469 26.422,470 0.801,471 36.533,472 0.641,473 38.555,474 1.168,475 8.942,476 0.271,477 6.692,478 0.203,479 0.197,481 0.392,485 0.898,486 1.298,487 0.799,488 1.011,489 0.807,490 0.887,491 0.473,492 1.062,493 0.735,494 1.018,495 0.395,496 0.948,497 0.951,498 1.209,499 1.039,500 1.109,501 0.91,502 1.096,503 1.058,504 1.075,505 1.095,506 1.084,507 1.027,508 1.098,509 0.879,510 1.019,511 1.026,512 1.063,513 0.926,514 1.08,515 0.613,516 0.754,517 0.895,518 0.959,519 0.667,520 0.993,521 0.823,522 1.108,523 0.923,524 1.118,525 0.796,526 1.069,527 1.168,528 0.956,529 1.153,530 0.947,531 1.103,532 1.017,533 8.5,534 0.214,535 4.222,536 2.313,537 2.28,538 1.208,539 0.75,540 0.523,541 0.455,542 0.242,543 16151,544 56346,545 1.959,546 42.1,548 13,551 7,552 2,553 2,555 1.748,556 1.784,557 3.801,558 4.072,560 1,564 97.209,565 1.705,566 4.098,567 4.984,568 5.399,569 5.434,570 5.434,571 3.248,572 4.597,573 5.015,574 4.012,575 2118.48,576 8.756,577 33553.1,579 1,582 332.475,583 1.556,584 4.943,585 0.243,586 0.008,587 0.086,588 0.045,589 0.049,590 0.027,591 0.018,592 0.014,593 0.014,594 0.008,595 0.513,596 0.17,597 0.88,598 1.658,599 179.117,600 -0.17,601 -0.038,602 -0.024,603 0.082,604 -0.149,605 0.075,606 0.236,607 0.114,608 0.102,609 0.043,610 0.228,611 0.037,612 -0.116,613 -0.118,614 -0.145,615 -0.08,616 -0.109,617 -0.115,618 -0.155,619 -0.071,620 -0.141,621 -0.082,622 -0.133,623 -0.105,624 0.041,625 -0.059,626 -0.048,627 -0.057,628 0.023,629 -0.07,630 0.274,631 0.185,632 0.095,633 0.052,634 0.226,635 0.036,636 0.072,637 -0.166,638 0.046,639 -0.076,640 0.114,641 -0.032,642 -0.22,643 0.036,644 -0.165,645 0.005,646 -0.168,647 -0.047,648 2.954,649 5.389,650 0.485,651 40.567,652 1.021,653 1.136,654 2.25,655 5.063,656 0.652,657 3.584,658 3.912,659 4.111,660 4.317,661 4.543,662 4.595,663 4.654,664 4.682,665 4.844,666 4.796,667 8.553,668 0.639,669 452.52,670 3.584,671 5.13,672 5.958,673 6.828,674 7.676,675 8.547,676 9.404,677 10.276,678 11.138,679 12.01,680 10.5,684 2,686 1,687 1,690 2,694 2,695 7,696 2,700 5,702 17,707 1,711 2,714 1,718 57,719 20,720 2,721 35,723 59,724 22,725 14,726 5,727 7,728 1,729 3,730 4,739 3,741 17,742 5,744 3,748 3,751 3,754 1,757 24,758 11,759 7,760 11,764 6,769 0.667,770 5,776 1,781 3,785 1,792 2,800 2,802 2,806 1,810 33,811 2,815 2,816 3,817 1,820 1,821 1,829 8.8,831 2,832 3,836 18.5,837 10.083,838 7.222,839 3.025,840 3.471,841 1.454,842 0.933,843 7.686,844 11.124,845 3.861,846 4.454,847 4.968,848 5.518,849 6.096,850 6.364,851 6.696,852 6.971,853 7.398,854 7.44,855 0.9,856 51,857 12.222,859 5.286,860 8.227,861 22.163,863 17.728,865 2.727,866 90,870 200.109,871 106.501,872 120.5,874 160.801,877 106.501,878 360.91,879 120.5,880 8.396,881 25.186,882 132.128,883 200.897,884 16.969,885 4.227,886 200.109,888 200.109,889 227.002,890 160.801,893 176.567,894 184.344,897 29.229,898 164.202,899 33.571,901 200.109,902 281.302,903 106.501,906 200.109,907 31.771,908 77.854,909 18.011,910 260.167,911 200.109,912 281.302,913 106.501,915 0.589,916 0.327,917 0.164,918 0.093,919 21,920 12,921 0.153,922 9,923 1,924 1.125,925 4.341,926 285.813,927 0.125,928 16,929 162.465,933 24.231,934 10.467,935 6.309,936 1.364,937 281.302,938 12.256,939 8.147,943 2.483,945 169.172,946 587.912,947 46.5,951 34.349,954 -3.009,956 58.2,957 64.774,958 0.292,959 0.703,960 0.854,961 0.926,962 0.932,963 0.932,964 5.101,965 1.956,966 5.964,967 5.76,968 4.595,969 5.142,970 3.11,971 6.751,972 4.539,973 6.321,974 1.573,975 7.52,976 5.121,977 4.29,978 5.056,979 2.903,980 7.612,981 4.202,982 7.631,983 1.244,984 9.17,985 4.051,986 6.18,987 7.331,988 4.388,989 10.653,990 6.071,991 8.97,992 1.026,993 10.872,994 3.155,995 6.608,996 8.002,997 4.832,998 12.282,999 6.469,1000 10.336,1001 1,1002 12.607,1003 2.565,1004 8.023,1005 9.827,1006 5.948,1007 14.854,1008 7.864,1009 11.72,1010 1,1011 14.363,1012 2.524,1013 8.788,1014 10.878,1015 6.632,1016 16.825,1017 8.601,1018 13.12,1019 0.342,1020 16.136,1021 2.275,1022 10.011,1023 12.515,1024 7.604,1025 19.22,1026 9.802,1027 3.084,1028 0.169,1029 17.921,1030 0.776,1031 10.941,1032 13.776,1033 8.385,1034 21.354,1035 10.705,1036 2.92,1037 10.18,1038 19.716,1039 0.424,1040 12.083,1041 15.328,1042 9.295,1043 23.68,1044 11.825,1045 2.775,1046 8.974,1047 21.519,1048 4.491,1049 13.096,1050 16.703,1051 10.118,1052 25.894,1053 12.811,1054 2.564,1055 8.589,1056 23.329,1057 3.798,1058 14.207,1059 18.219,1060 11,1061 28.197,1062 13.897,1063 2.329,1064 7.824,1065 25.144,1066 3.289,1067 15.261,1068 19.653,1069 11.843,1070 30.452,1071 14.925,1072 2.172,1073 6.8,1074 26.964,1075 3.164,1076 16.36,1077 21.155,1078 12.712,1079 32.749,1080 16,1081 2.036,1082 5.804,1083 28.789,1084 2.989,1085 17.437,1086 22.62,1087 13.563,1088 35.027,1089 17.049,1090 15960,1091 29936,1092 22.194,1093 37.159,1094 53.136,1095 54.507,1096 54.403,1097 52.481,1098 52.379,1099 68.488,1100 14.012,1101 149.643,1102 50.894,1103 5.453,1104 5.777,1105 5.917,1106 5.125,1107 5.084,1108 7.491,1109 3.989,1110 17.074,1111 4.994,1112 22.375,1113 1.518,1114 1.557,1115 1.554,1116 1.499,1117 1.497,1118 1.957,1119 0.4,1120 4.276,1121 1.454,1122 4.08,1123 4.115,1124 4.046,1125 3.991,1126 7.477,1127 3.999,1128 3.944,1129 3.974,1130 3.895,1131 3.86,1132 7.471,1133 3.863,1134 3.763,1135 3.801,1136 3.676,1137 3.588,1138 7.428,1139 3.6,1140 3.569,1141 3.631,1142 3.495,1143 3.379,1144 6.352,1145 3.401,1146 3.456,1147 3.479,1148 3.395,1149 3.197,1150 6.35,1151 3.237,1152 3.34,1153 3.396,1154 3.26,1155 3.099,1156 5.307,1157 3.13,1158 3.14,1159 3.237,1160 3.043,1161 2.918,1162 4.982,1163 2.936,1164 3.126,1165 3.155,1166 3.012,1167 2.851,1168 4.741,1169 2.882,1170 0.13,1171 0.108,1172 0.186,1173 0.116,1174 0.088,1175 4.542,1176 0.128,1177 3.777,1178 0.068,1179 6.503,1180 0.291,1181 4.053,1182 0.086,1183 3.084,1184 4.491,1185 2.375,1186 10.18,1187 2.994,1188 2.023,1189 1.996,1190 2.096,1191 2.133,1192 1.25,1193 2.122,1194 1.913,1195 1.887,1196 2.009,1197 2.024,1198 1.22,1199 2.019,1200 1.703,1201 1.662,1202 1.898,1203 1.905,1204 1.101,1205 1.9,1206 1.504,1207 1.443,1208 1.693,1209 1.729,1210 0.82,1211 1.721,1212 1.326,1213 1.292,1214 1.522,1215 1.614,1216 0.583,1217 1.574,1218 1.255,1219 1.198,1220 1.465,1221 1.533,1222 0.544,1223 1.527,1224 1.057,1225 0.993,1226 1.31,1227 1.386,1228 0.333,1229 1.371,1230 0.993,1231 0.958,1232 1.273,1233 1.317,1234 0.218,1235 1.258,1236 4.263,1238 5.587,1240 7.089,1242 8.676,1244 10.31,1246 1.883,1250 11.581,1251 17.932,1252 -0.02,1253 2.355,1256 -1.282,1257 1.962,1262 36.444,1263 97.209,1264 233.588,1265 284.068,1266 307.72,1267 309.72,1268 309.72,1269 93.508,1270 7.653,1271 184.76,1272 184.76,1273 18,1274 12.553,1275 4.392,1276 3.644,1277 64.688,1278 172,1279 152,1280 0.182,1281 228.167,1282 400.29,1283 548.488,1284 23794,1286 24.121,1287 0.731,1288 0.541,1289 24.121,1290 17.856,1291 15.634,1292 0.447,1293 0.286,1294 9.848,1295 14.909,1296 9.638,1297 7.99,1298 15.634,1299 10.021,1300 14.733,1301 0.301,1302 0.153,1303 14.733,1304 7.518,1305 11.23,1306 0.187,1307 0.084,1308 11.23,1309 5.047,1310 8.927,1311 0.121,1312 0.045,1313 8.927,1314 3.315,1315 7.114,1316 0.076,1317 0.023,1318 7.114,1319 2.166,1320 0.297,1321 99.152,1322 0.212,1323 31.328,1324 0.473,1325 168,1326 579.399,1327 189.589,1328 557.614,1329 731.07,1330 512,1331 193,1332 516.73,1333 211.575,1334 522.089,1335 752.92,1336 488,1337 8.276}
{0 CHEMBL305177,1 1.728,2 14.781,3 1.279,4 1.636,5 118.188,6 8.12,7 0.5,8 4.102,9 4.221,10 3.697,11 3.573,12 5.396,13 3.595,14 4.567,15 4.714,16 4.064,17 3.95,18 5.979,19 3.94,20 4.864,21 5.051,22 4.112,23 4.089,24 6.108,25 4.061,26 4.934,27 5.139,28 4.043,29 4.061,30 6.184,31 4.02,32 4.908,33 5.124,34 4.01,35 3.999,36 6.282,37 3.954,38 4.804,39 5.012,40 3.949,41 3.929,42 6.301,43 3.876,44 4.721,45 4.934,46 3.786,47 3.844,48 6.076,49 3.782,50 4.576,51 4.801,52 3.671,53 3.706,54 5.788,55 3.652,56 0.227,57 0.826,58 9.847,59 4.192,60 36.357,61 5.091,62 0.523,63 1.25,64 16.944,65 7.32,66 86.637,67 9.44,68 0.72,69 1.506,70 26.279,71 8.853,72 104.592,73 11.891,74 0.839,75 1.504,76 30.002,77 9.452,78 131.551,79 12.635,80 1.005,81 1.393,82 30.672,83 9.341,84 172.436,85 12.884,86 1.018,87 1.266,88 27.053,89 9.014,90 165.372,91 12.131,92 0.792,93 1.144,94 25.418,95 8.396,96 134.549,97 11.34,98 0.539,99 1.029,100 21.837,101 7.092,102 81.006,103 9.826,104 59,105 47,106 0.284,107 0.669,108 0.808,109 0.886,110 0.892,111 0.892,112 3.501,113 0.85,114 -3.26,115 -3.25,116 -3.12,119 38.9,121 2,125 1,127 1,139 7,140 3,141 1,143 1,144 1,147 1,153 3,157 2,158 2,159 2,161 2,165 2,166 9,167 1,169 1,170 5,172 3,173 6,175 7,176 1,178 8,179 2,180 1,182 7,185 1,186 1,187 10,189 4,190 1,191 1,193 7,194 1,195 1,196 1,197 1,198 10,199 1,200 2,201 3,202 1,203 1,204 4,205 1,206 1,207 3,208 2,210 2,211 1,212 4,213 2,215 9,216 2,218 3,220 1,221 2,222 1,224 5,225 3,226 3,228 1,229 13,230 3,231 1,233 1,234 3,237 1,239 3,241 8,242 2,246 7,250 1,251 6,252 1,253 1,254 2,255 2,256 2,260 8,263 1,264 1,265 7,270 2,273 1812,274 20.878,275 20.878,276 20.878,277 20.878,278 20.878,279 18.336,280 25.778,281 12.251,282 21.154,283 16.75,284 16.75,285 16.75,286 16.75,287 16.75,288 12.832,289 32.34,290 5.839,291 17.195,292 4.027,293 1.689,294 0.845,295 0.37,296 0.333,297 0.333,298 4.18,301 1,303 986,304 4.528,307 323.12,311 173.503,314 2.371,315 50.747,318 0.5,319 0.67,320 0.5,321 0.4,323 0.5,324 0.5,325 0.44,326 72,327 473,328 4.541,329 3.777,330 6.502,331 4.048,332 3.079,333 4.491,334 2.375,335 10.175,336 2.99,337 4.207,338 3.592,339 6.116,340 3.886,341 2.892,342 3.772,343 2.341,344 8.889,345 2.868,346 3.899,347 3.52,348 5.832,349 3.645,350 2.657,351 3.244,352 1.061,353 7.911,354 2.615,355 3.785,356 3.132,357 5.389,358 3.435,359 2.461,360 3.127,361 0.657,362 7.073,363 2.391,364 3.658,365 2.766,366 5.225,367 3.264,368 2.289,369 2.952,370 0.14,371 6.619,372 2.23,373 3.523,374 2.508,375 5.062,376 3.175,377 2.17,378 2.811,380 5.801,381 2.152,382 3.428,383 2.184,384 4.965,385 2.972,386 2.035,387 2.691,389 5.739,390 1.898,391 3.366,392 2.143,393 4.645,394 2.905,395 1.953,396 2.685,398 5.12,399 1.853,400 2.879,401 2.044,402 4.202,403 2.449,404 1.457,405 1.925,407 3.76,408 1.428,409 2.5,410 1.892,411 3.71,412 2.145,413 1.133,414 1.5,415 2.628,416 1.128,417 2.482,418 1.104,419 3.625,420 2,421 1.008,422 1.435,423 2.565,424 1,425 2.453,426 1.061,427 3.414,428 1.983,429 1,430 1.369,431 2.275,432 0.981,433 1.933,434 1,435 3.261,436 1.673,437 0.722,438 0.841,439 1.736,440 0.684,441 1.571,442 0.973,443 2.845,444 1.342,445 0.342,446 0.386,448 0.774,449 0.336,450 1.39,451 0.548,452 2.72,453 0.988,454 0.038,455 0.049,457 0.094,458 0.036,459 14.567,460 0.455,461 0.949,462 0.03,463 42.75,464 1.336,465 22,466 0.688,467 20.75,468 0.648,469 24.214,470 0.757,471 35.233,472 0.652,473 36.775,474 1.149,475 8.777,476 0.274,477 6.446,478 0.201,479 0.169,481 0.378,485 0.92,486 1.204,487 0.796,488 0.937,489 0.818,490 0.832,491 0.432,492 1.146,493 0.745,494 1.129,495 0.406,496 1.04,497 0.956,498 1.182,499 1.025,500 1.073,501 0.918,502 1.065,503 1.129,504 1.092,505 1.135,506 1.09,507 1.098,508 1.11,509 0.953,510 0.975,511 1.005,512 0.983,513 0.995,514 1.003,515 0.691,516 0.777,517 0.959,518 0.998,519 0.732,520 1.041,521 0.915,522 0.944,523 1,524 1.019,525 0.891,526 1.037,527 0.912,528 1.041,529 0.931,530 1.032,531 0.893,532 1,533 8,534 0.214,535 3.778,536 1.813,537 2.16,538 1.118,539 0.506,540 0.507,541 0.385,542 0.182,543 15390,544 54817,545 1.976,546 40.7,548 10,551 8,552 2,553 2,555 1.738,556 1.811,557 3.803,558 5.023,560 1,564 93.298,565 1.728,566 4.066,567 4.909,568 5.385,569 5.422,570 5.422,571 3.233,572 4.453,573 4.972,574 4.023,575 1995.56,576 8.659,577 31399,579 1,582 310.764,583 1.531,584 4.907,585 0.235,586 0.009,587 0.08,588 0.038,589 0.05,590 0.027,591 0.013,592 0.015,593 0.013,594 0.007,595 0.488,596 0.17,597 0.75,598 1.667,599 172.929,600 -0.195,601 0.047,602 -0.04,603 0.141,604 -0.159,605 0.111,606 0.256,607 0.026,608 0.061,609 -0.054,610 0.222,611 -0.056,612 -0.116,613 -0.121,614 -0.117,615 -0.062,616 -0.112,617 -0.086,618 -0.188,619 -0.095,620 -0.172,621 -0.104,622 -0.164,623 -0.13,624 0.026,625 -0.028,626 -0.005,627 0.005,628 0.018,629 -0.003,630 0.262,631 0.186,632 0.023,633 0.008,634 0.232,635 -0.035,636 0.024,637 -0.022,638 -0.008,639 0.01,640 0.061,641 -0.002,642 -0.067,643 -0.095,644 0.052,645 -0.017,646 -0.051,647 0.035,648 2.956,649 5.3,650 0.5,651 38.789,652 1.024,653 1.136,654 2.031,655 4.126,656 0.656,657 3.555,658 3.871,659 4.06,660 4.263,661 4.5,662 4.522,663 4.533,664 4.605,665 4.745,666 4.71,667 8.639,668 0.647,669 438.49,670 3.555,671 5.094,672 5.916,673 6.779,674 7.622,675 8.486,676 9.338,677 10.203,678 11.06,679 11.926,680 11.1,684 2,685 1,687 1,690 2,694 2,695 7,696 2,700 5,702 17,707 1,711 2,712 1,718 54,719 20,720 2,721 34,723 56,724 21,725 14,726 5,727 7,728 1,729 3,730 4,739 3,741 17,742 4,744 3,748 3,751 3,754 1,757 22,758 11,759 8,760 11,764 6,769 0.667,770 5,776 1,781 3,785 1,792 2,800 2,802 2,810 32,811 2,815 2,816 3,817 2,820 1,829 9.3,831 2,832 3,836 17.667,837 9.133,838 7.028,839 2.863,840 3.5,841 1.46,842 0.939,843 7.457,844 11.116,845 3.839,846 4.431,847 4.94,848 5.488,849 6.07,850 6.316,851 6.613,852 6.921,853 7.342,854 7.383,855 0.9,856 48,857 11.846,859 5.145,860 8.266,861 21.381,863 17.109,865 2.766,866 88.5,870 164.795,871 98.105,872 135.387,874 160.801,877 98.105,878 325.597,879 135.387,881 25.186,882 132.128,883 218.908,884 13.845,885 4.227,886 164.795,888 164.795,889 233.492,890 160.801,893 141.253,894 184.344,897 29.229,898 152.681,899 51.582,901 164.795,902 296.188,903 98.105,906 164.795,907 31.771,908 66.334,909 36.022,910 260.167,911 164.795,912 296.188,913 98.105,915 0.585,916 0.321,917 0.161,918 0.094,919 20,920 11,921 0.161,922 9,923 1,924 1.125,925 4.329,926 270.11,927 0.125,928 16,929 156,933 23.252,934 10.263,935 6.297,936 1.346,937 296.188,938 12,939 8.095,943 2.339,945 187.183,946 559.089,947 45.5,951 34.181,954 -3.021,956 55.316,957 61.358,958 0.3,959 0.706,960 0.853,961 0.936,962 0.942,963 0.942,964 5.07,965 1.953,966 5.911,967 5.739,968 4.554,969 5.118,970 3.081,971 6.681,972 4.504,973 6.287,974 1.457,975 7.454,976 5.12,977 4.205,978 5.017,979 2.882,980 7.509,981 4.134,982 7.593,983 1.133,984 9.091,985 3.76,986 6.12,987 7.31,988 4.381,989 10.542,990 6.025,991 8.929,992 1.008,993 10.78,994 2.628,995 6.509,996 7.971,997 4.828,998 12.152,999 6.397,1000 10.292,1001 1,1002 12.502,1003 2.565,1004 7.94,1005 9.805,1006 5.947,1007 14.72,1008 7.805,1009 11.674,1010 0.722,1011 14.247,1012 2.275,1013 8.675,1014 10.851,1015 6.631,1016 16.687,1017 8.523,1018 13.071,1019 0.342,1020 16.01,1021 1.736,1022 9.906,1023 12.494,1024 7.604,1025 19.083,1026 9.732,1027 3.079,1028 0.038,1029 17.787,1030 0.774,1031 10.818,1032 13.754,1033 8.385,1034 21.223,1035 10.625,1036 2.892,1037 10.175,1038 19.576,1039 0.094,1040 11.964,1041 15.31,1042 9.295,1043 23.555,1044 11.749,1045 2.657,1046 8.889,1047 21.374,1048 4.491,1049 12.967,1050 16.685,1051 10.118,1052 25.778,1053 12.729,1054 2.461,1055 7.911,1056 23.18,1057 3.772,1058 14.079,1059 18.204,1060 11,1061 28.088,1062 13.818,1063 2.289,1064 7.073,1065 24.993,1066 3.244,1067 15.129,1068 19.639,1069 11.843,1070 30.353,1071 14.844,1072 2.17,1073 6.619,1074 26.812,1075 3.127,1076 16.23,1077 21.142,1078 12.712,1079 32.658,1080 15.921,1081 2.035,1082 5.801,1083 28.636,1084 2.952,1085 17.305,1086 22.609,1087 13.563,1088 34.944,1089 16.97,1090 15157,1091 28719,1092 21.789,1093 35.398,1094 51.083,1095 52.807,1096 52.176,1097 50.527,1098 50.473,1099 66.549,1100 13.149,1101 142.316,1102 49.179,1103 5.452,1104 5.777,1105 5.916,1106 5.12,1107 5.079,1108 7.491,1109 3.989,1110 17.069,1111 4.99,1112 20.732,1113 1.502,1114 1.553,1115 1.535,1116 1.486,1117 1.485,1118 1.957,1119 0.387,1120 4.186,1121 1.446,1122 4.077,1123 4.112,1124 4.043,1125 3.988,1126 7.477,1127 3.996,1128 3.938,1129 3.968,1130 3.888,1131 3.855,1132 7.471,1133 3.858,1134 3.759,1135 3.797,1136 3.672,1137 3.587,1138 7.428,1139 3.599,1140 3.545,1141 3.608,1142 3.476,1143 3.357,1144 6.352,1145 3.38,1146 3.455,1147 3.471,1148 3.394,1149 3.186,1150 6.35,1151 3.231,1152 3.273,1153 3.31,1154 3.221,1155 3.033,1156 5.307,1157 3.069,1158 3.134,1159 3.236,1160 3.028,1161 2.918,1162 4.982,1163 2.935,1164 3.079,1165 3.13,1166 2.956,1167 2.8,1168 4.757,1169 2.83,1170 0.134,1171 0.111,1172 0.191,1173 0.119,1174 0.091,1175 4.541,1176 0.132,1177 3.777,1178 0.07,1179 6.502,1180 0.299,1181 4.048,1182 0.088,1183 3.079,1184 4.491,1185 2.375,1186 10.175,1187 2.99,1188 2.022,1189 1.995,1190 2.093,1191 2.131,1192 1.237,1193 2.12,1194 1.908,1195 1.883,1196 2.005,1197 2.018,1198 1.22,1199 2.014,1200 1.702,1201 1.661,1202 1.896,1203 1.9,1204 1.087,1205 1.896,1206 1.475,1207 1.416,1208 1.625,1209 1.702,1210 0.749,1211 1.687,1212 1.312,1213 1.288,1214 1.474,1215 1.614,1216 0.582,1217 1.566,1218 1.163,1219 1.119,1220 1.382,1221 1.44,1222 0.35,1223 1.418,1224 1.051,1225 0.993,1226 1.292,1227 1.386,1228 0.218,1229 1.371,1230 0.967,1231 0.9,1232 1.181,1233 1.288,1234 0.218,1235 1.24,1236 4.234,1238 5.549,1240 7.041,1242 8.619,1244 10.246,1250 11.513,1251 17.867,1252 -0.092,1253 5.554,1256 -1.281,1262 34.917,1263 93.298,1264 219.545,1265 265.112,1266 290.764,1267 292.764,1268 292.764,1269 88.896,1270 7.616,1271 193.55,1272 193.55,1273 18,1274 12.474,1275 4.392,1276 3.644,1277 61.724,1278 170,1279 142,1280 0.177,1281 218.575,1282 382.99,1283 525.083,1284 23186,1286 23.25,1287 0.727,1288 0.528,1289 23.25,1290 16.908,1291 15.223,1292 0.448,1293 0.283,1294 9.477,1295 14.536,1296 9.336,1297 7.713,1298 15.223,1299 9.637,1300 14.203,1301 0.302,1302 0.15,1303 14.203,1304 7.046,1305 10.778,1306 0.189,1307 0.082,1308 10.778,1309 4.701,1310 8.491,1311 0.121,1312 0.043,1313 8.491,1314 3.038,1315 6.953,1316 0.078,1317 0.023,1318 6.953,1319 2.042,1320 0.289,1321 96.482,1322 0.214,1323 30.709,1324 0.452,1325 162,1326 568.086,1327 183.228,1328 546.684,1329 715.91,1330 502,1331 185,1332 504.956,1333 202.743,1334 508.365,1335 733.43,1336 477,1337 8.319}
{0 CHEMBL305253,1 1.705,2 14.727,3 1.633,4 2.665,5 122.423,6 7.939,7 0.486,8 4.149,9 4.27,10 3.729,11 3.615,12 5.423,13 3.631,14 4.628,15 4.789,16 4.101,17 3.995,18 6,19 3.984,20 4.908,21 5.09,22 4.166,23 4.163,24 6.134,25 4.13,26 5.031,27 5.241,28 4.124,29 4.175,30 6.242,31 4.121,32 5.029,33 5.251,34 4.099,35 4.141,36 6.353,37 4.077,38 4.935,39 5.147,40 4.034,41 4.077,42 6.338,43 4.007,44 4.885,45 5.114,46 3.867,47 3.974,48 6.208,49 3.896,50 4.695,51 4.935,52 3.755,53 3.823,54 5.836,55 3.752,56 0.205,57 0.865,58 10.763,59 4.497,60 32.471,61 5.663,62 0.554,63 1.316,64 19.277,65 7.637,66 84.75,67 10.16,68 0.673,69 1.6,70 27.465,71 9.509,72 96.194,73 12.855,74 0.818,75 1.668,76 33.544,77 10.811,78 125.167,79 14.819,80 1.057,81 1.589,82 34.908,83 11.109,84 165.832,85 15.403,86 0.918,87 1.452,88 31.021,89 10.646,90 159.249,91 14.856,92 0.97,93 1.347,94 30.742,95 9.386,96 147.389,97 13.059,98 0.49,99 1.147,100 25.208,101 8.359,102 69.139,103 12.036,104 74,105 49,106 0.278,107 0.667,108 0.812,109 0.879,110 0.885,111 0.885,112 3.531,113 0.859,114 -3.48,115 -3.46,116 -3.3,119 38.6,121 2,124 1,125 1,127 1,139 7,140 3,141 1,143 1,144 1,147 1,153 3,157 2,158 2,159 2,161 2,165 2,166 9,167 1,169 1,170 8,172 3,173 6,175 4,176 1,178 8,179 2,180 1,182 11,185 1,186 1,187 6,189 5,190 1,191 1,193 7,194 1,195 1,196 1,197 1,198 6,199 1,200 2,201 3,202 1,203 1,204 3,205 1,206 3,207 5,208 2,209 1,210 3,211 1,212 5,213 2,215 9,216 2,218 3,220 1,221 2,222 1,224 2,225 1,226 2,229 12,230 3,233 2,234 5,236 1,237 3,239 4,241 9,242 3,243 1,246 7,251 5,254 3,255 2,256 2,260 9,261 1,265 7,269 1,270 3,273 1967,274 21.378,275 21.378,276 21.378,277 21.378,278 21.378,279 18.861,280 26.293,281 12.444,282 21.697,283 17.228,284 17.228,285 17.228,286 17.228,287 17.228,288 13.344,289 32.22,290 5.914,291 17.74,292 4.127,293 1.735,294 0.849,295 0.434,296 0.399,297 0.399,298 4.207,301 1,303 1011,304 4.743,307 334.089,311 179.087,314 2.358,315 49.978,318 0.5,319 0.5,320 0.5,321 0.6,323 0.5,324 0.5,325 0.44,326 74,327 486,328 4.55,329 3.777,330 6.52,331 4.068,332 3.101,333 4.495,334 2.375,335 10.237,336 3,337 4.211,338 3.592,339 6.117,340 3.89,341 2.897,342 3.775,343 2.341,344 8.897,345 2.874,346 3.969,347 3.521,348 6.003,349 3.701,350 2.744,351 3.346,352 1.061,353 8.533,354 2.642,355 3.867,356 3.2,357 5.83,358 3.592,359 2.61,360 3.127,361 0.916,362 7.893,363 2.533,364 3.658,365 2.989,366 5.291,367 3.284,368 2.294,369 2.956,370 0.172,371 6.752,372 2.264,373 3.523,374 2.573,375 5.064,376 3.176,377 2.17,378 2.811,379 0.14,380 5.884,381 2.153,382 3.446,383 2.219,384 5.006,385 3.005,386 2.078,387 2.763,389 5.792,390 1.917,391 3.415,392 2.145,393 4.645,394 2.933,395 1.987,396 2.686,398 5.12,399 1.878,400 2.89,401 2.067,402 4.238,403 2.468,404 1.475,405 1.942,407 3.854,408 1.45,409 2.541,410 1.913,411 4.042,412 2.219,413 1.25,414 1.534,415 3.28,416 1.2,417 2.5,418 1.394,419 3.706,420 2.095,421 1.089,422 1.5,423 2.584,424 1.082,425 2.467,426 1.104,427 3.613,428 2,429 1,430 1.402,431 2.565,432 1,433 2.408,434 1.056,435 3.414,436 1.972,437 1,438 1.334,439 2.275,440 0.97,441 1.572,442 1,443 2.917,444 1.352,445 0.355,446 0.396,448 0.804,449 0.348,450 1.392,451 0.555,452 2.777,453 0.995,454 0.039,455 0.05,457 0.1,458 0.037,459 15.067,460 0.457,461 1.038,462 0.031,463 43.5,464 1.318,465 22,466 0.667,467 21.5,468 0.652,469 26.412,470 0.8,471 36.533,472 0.641,473 38.551,474 1.168,475 8.942,476 0.271,477 6.692,478 0.203,479 0.197,481 0.392,485 0.898,486 1.298,487 0.799,488 1.011,489 0.807,490 0.887,491 0.473,492 1.062,493 0.735,494 1.018,495 0.395,496 0.948,497 0.951,498 1.209,499 1.039,500 1.109,501 0.911,502 1.096,503 1.053,504 1.108,505 1.091,506 1.104,507 1.027,508 1.109,509 0.855,510 0.859,511 0.995,512 0.974,513 0.914,514 1.014,515 0.661,516 1.07,517 0.918,518 1.134,519 0.662,520 1.101,521 0.942,522 0.771,523 1.102,524 0.924,525 0.932,526 1.027,527 0.749,528 1.088,529 0.804,530 1.048,531 0.704,532 0.964,533 8.5,534 0.264,535 4.222,536 2.188,537 2.36,538 1.375,539 0.567,540 0.628,541 0.385,542 0.202,543 16171,544 56450,545 1.959,546 42.1,548 13,551 7,552 2,553 2,555 1.747,556 1.784,557 3.804,558 4.072,560 1,564 97.209,565 1.705,566 4.098,567 4.984,568 5.399,569 5.434,570 5.434,571 3.248,572 4.718,573 5.016,574 4.014,575 2119.32,576 8.755,577 33602,579 1,582 332.475,583 1.556,584 4.943,585 0.243,586 0.011,587 0.086,588 0.043,589 0.05,590 0.031,591 0.013,592 0.018,593 0.012,594 0.007,595 0.513,596 0.17,597 0.88,598 1.658,599 179.178,600 -0.17,601 -0.038,602 -0.024,603 0.082,604 -0.149,605 0.075,606 0.236,607 0.114,608 0.102,609 0.043,610 0.228,611 0.037,612 -0.116,613 -0.118,614 -0.145,615 -0.08,616 -0.11,617 -0.115,618 -0.15,619 -0.105,620 -0.136,621 -0.101,622 -0.134,623 -0.116,624 0.077,625 0.103,626 -0.01,627 0.022,628 0.036,629 -0.009,630 0.204,631 -0.118,632 0.046,633 -0.093,634 0.224,635 -0.064,636 0.009,637 0.182,638 -0.105,639 0.056,640 0.015,641 -0.029,642 0.01,643 -0.161,644 0.174,645 -0.014,646 0.042,647 0.098,648 2.952,649 5.375,650 0.485,651 40.298,652 1.021,653 1.136,654 2.25,655 5.063,656 0.652,657 3.584,658 3.912,659 4.111,660 4.317,661 4.554,662 4.605,663 4.635,664 4.736,665 4.796,666 4.796,667 8.57,668 0.639,669 452.52,670 3.584,671 5.13,672 5.958,673 6.828,674 7.677,675 8.548,676 9.406,677 10.279,678 11.141,679 12.016,680 10.5,684 2,686 1,687 1,690 2,694 2,695 7,696 2,700 5,702 17,707 1,711 2,714 1,718 57,719 20,720 2,721 35,723 59,724 22,725 14,726 5,727 7,728 1,729 3,730 4,739 3,741 17,742 5,744 3,748 3,751 3,754 1,757 24,758 11,759 7,760 11,764 6,769 0.667,770 5,776 1,781 3,785 1,792 2,800 2,802 2,806 1,810 33,811 2,815 2,816 3,817 1,820 1,821 1,829 8.8,831 2,832 3,836 18.5,837 10.083,838 7.222,839 3.025,840 3.471,841 1.454,842 0.933,843 7.686,844 11.124,845 3.861,846 4.454,847 4.968,848 5.518,849 6.104,850 6.378,851 6.694,852 7.025,853 7.389,854 7.467,855 0.9,856 51,857 12.222,859 5.286,860 8.227,861 22.163,863 17.728,865 2.727,866 90,870 200.109,871 106.501,872 120.5,874 160.801,877 106.501,878 360.91,879 120.5,880 8.396,881 25.186,882 132.128,883 200.897,884 16.969,885 4.227,886 200.109,888 200.109,889 227.002,890 160.801,893 176.567,894 184.344,897 29.229,898 164.202,899 33.571,901 200.109,902 281.302,903 106.501,906 200.109,907 31.771,908 77.854,909 18.011,910 260.167,911 200.109,912 281.302,913 106.501,915 0.589,916 0.326,917 0.163,918 0.094,919 21,920 12,921 0.153,922 9,923 1,924 1.125,925 4.341,926 285.832,927 0.125,928 16,929 162.465,933 24.231,934 10.467,935 6.309,936 1.34,937 281.302,938 12.267,939 8.149,943 2.479,945 169.172,946 587.912,947 46.5,951 34.326,954 -3.001,956 58.2,957 64.774,958 0.292,959 0.703,960 0.854,961 0.926,962 0.932,963 0.932,964 5.101,965 1.987,966 5.964,967 5.792,968 4.595,969 5.142,970 3.11,971 6.751,972 4.539,973 6.321,974 1.475,975 7.52,976 5.12,977 4.29,978 5.056,979 2.903,980 7.612,981 4.202,982 7.631,983 1.25,984 9.17,985 3.854,986 6.18,987 7.331,988 4.388,989 10.654,990 6.071,991 8.97,992 1.089,993 10.872,994 3.28,995 6.608,996 8.002,997 4.832,998 12.283,999 6.469,1000 10.336,1001 1,1002 12.607,1003 2.584,1004 8.023,1005 9.827,1006 5.948,1007 14.858,1008 7.864,1009 11.72,1010 1,1011 14.363,1012 2.565,1013 8.788,1014 10.878,1015 6.632,1016 16.83,1017 8.6,1018 13.12,1019 0.355,1020 16.136,1021 2.275,1022 10.011,1023 12.515,1024 7.604,1025 19.229,1026 9.802,1027 3.101,1028 0.039,1029 17.921,1030 0.804,1031 10.942,1032 13.777,1033 8.385,1034 21.367,1035 10.704,1036 2.897,1037 10.237,1038 19.717,1039 0.1,1040 12.085,1041 15.33,1042 9.295,1043 23.698,1044 11.824,1045 2.744,1046 8.897,1047 21.52,1048 4.495,1049 13.1,1050 16.705,1051 10.118,1052 25.918,1053 12.81,1054 2.61,1055 8.533,1056 23.331,1057 3.775,1058 14.212,1059 18.222,1060 11,1061 28.227,1062 13.897,1063 2.294,1064 7.893,1065 25.147,1066 3.346,1067 15.269,1068 19.657,1069 11.843,1070 30.489,1071 14.925,1072 2.17,1073 6.752,1074 26.968,1075 3.127,1076 16.371,1077 21.159,1078 12.712,1079 32.792,1080 16.001,1081 2.078,1082 5.884,1083 28.794,1084 2.956,1085 17.451,1086 22.626,1087 13.563,1088 35.077,1089 17.051,1090 15982,1091 29986,1092 22.194,1093 37.159,1094 52.963,1095 54.531,1096 54.417,1097 52.274,1098 52.178,1099 68.233,1100 14.012,1101 149.143,1102 50.7,1103 5.461,1104 5.777,1105 5.934,1106 5.139,1107 5.101,1108 7.495,1109 3.989,1110 17.132,1111 5,1112 22.389,1113 1.513,1114 1.558,1115 1.555,1116 1.494,1117 1.491,1118 1.95,1119 0.4,1120 4.261,1121 1.449,1122 4.079,1123 4.115,1124 4.046,1125 3.983,1126 7.477,1127 3.994,1128 3.945,1129 3.973,1130 3.893,1131 3.872,1132 7.471,1133 3.872,1134 3.763,1135 3.801,1136 3.675,1137 3.59,1138 7.428,1139 3.602,1140 3.573,1141 3.641,1142 3.504,1143 3.363,1144 6.352,1145 3.39,1146 3.456,1147 3.473,1148 3.395,1149 3.2,1150 6.35,1151 3.238,1152 3.317,1153 3.375,1154 3.241,1155 3.098,1156 5.308,1157 3.125,1158 3.174,1159 3.236,1160 3.065,1161 2.935,1162 4.982,1163 2.955,1164 3.128,1165 3.204,1166 3.014,1167 2.874,1168 4.737,1169 2.895,1170 0.13,1171 0.108,1172 0.186,1173 0.116,1174 0.089,1175 4.55,1176 0.128,1177 3.777,1178 0.068,1179 6.52,1180 0.292,1181 4.068,1182 0.086,1183 3.101,1184 4.495,1185 2.375,1186 10.237,1187 3,1188 2.016,1189 1.988,1190 2.087,1191 2.133,1192 1.237,1193 2.12,1194 1.924,1195 1.9,1196 2.021,1197 2.023,1198 1.215,1199 2.023,1200 1.705,1201 1.664,1202 1.9,1203 1.904,1204 1.134,1205 1.901,1206 1.496,1207 1.431,1208 1.694,1209 1.74,1210 0.806,1211 1.727,1212 1.322,1213 1.293,1214 1.484,1215 1.615,1216 0.589,1217 1.568,1218 1.243,1219 1.189,1220 1.47,1221 1.502,1222 0.499,1223 1.503,1224 1.079,1225 1.034,1226 1.343,1227 1.386,1228 0.389,1229 1.371,1230 1.044,1231 0.961,1232 1.294,1233 1.361,1234 0.218,1235 1.331,1236 4.263,1238 5.587,1240 7.089,1242 8.676,1244 10.31,1246 1.899,1250 11.59,1251 17.925,1252 -0.033,1253 2.356,1256 -1.279,1257 1.983,1262 36.444,1263 97.209,1264 233.588,1265 284.068,1266 307.72,1267 309.72,1268 309.72,1269 93.514,1270 7.653,1271 184.76,1272 184.76,1273 18,1274 12.558,1275 4.392,1276 3.644,1277 64.71,1278 173,1279 152,1280 0.182,1281 228.167,1282 400.29,1283 548.488,1284 23789,1286 24.121,1287 0.731,1288 0.541,1289 24.121,1290 17.856,1291 15.634,1292 0.447,1293 0.286,1294 9.848,1295 14.909,1296 9.638,1297 7.99,1298 15.634,1299 10.021,1300 14.733,1301 0.301,1302 0.153,1303 14.733,1304 7.518,1305 11.237,1306 0.187,1307 0.084,1308 11.237,1309 5.053,1310 8.883,1311 0.12,1312 0.044,1313 8.883,1314 3.29,1315 7.169,1316 0.076,1317 0.023,1318 7.169,1319 2.188,1320 0.296,1321 99.152,1322 0.212,1323 31.333,1324 0.471,1325 168,1326 579.399,1327 189.589,1328 557.614,1329 731.07,1330 512,1331 193,1332 516.73,1333 211.575,1334 522.09,1335 752.95,1336 488,1337 8.481}
{0 CHEMBL306731,1 1.634,2 10,3 2.394,4 5.731,5 84.601,6 8.176,7 0.708,8 3.707,9 3.822,10 3.34,11 3.253,12 4.962,13 3.263,14 4.153,15 4.287,16 3.688,17 3.605,18 5.464,19 3.594,20 4.348,21 4.517,22 3.717,23 3.685,24 5.56,25 3.663,26 4.404,27 4.594,28 3.584,29 3.556,30 5.665,31 3.527,32 4.262,33 4.467,34 3.425,35 3.404,36 5.501,37 3.377,38 4.166,39 4.383,40 3.353,41 3.295,42 5.565,43 3.25,44 3.955,45 4.142,46 3.131,47 3.215,48 5.132,49 3.161,50 3.867,51 4.07,52 3.041,53 3.172,54 5.103,55 3.092,56 0.078,57 0.547,58 6.147,59 2.838,60 13.326,61 3.324,62 0.29,63 0.82,64 10.788,65 4.954,66 28.658,67 5.951,68 0.178,69 0.96,70 13.969,71 5.653,72 22.823,73 7.09,74 0.383,75 0.918,76 17.131,77 6.002,78 53.276,79 7.178,80 0.296,81 0.8,82 15.016,83 4.938,84 40.091,85 6.113,86 0.488,87 0.682,88 14.621,89 4.853,90 62.395,91 6.449,92 0.215,93 0.569,94 10.974,95 4.278,96 34.19,97 5.2,98 0.224,99 0.575,100 9.39,101 3.547,102 33.66,103 4.729,104 10,105 33,106 0.293,107 0.619,108 0.725,109 0.845,110 0.858,111 0.858,112 3.146,113 0.834,114 -4.46,115 -4.39,116 -4.13,119 44.4,125 1,139 8,140 3,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 10,169 2,170 6,172 3,173 3,175 1,178 10,180 1,182 9,187 1,189 5,191 1,193 10,195 1,196 1,197 1,198 4,200 2,201 1,204 4,205 1,207 4,212 3,215 4,218 3,220 4,221 2,223 2,224 2,226 1,229 8,231 1,234 1,241 9,246 2,248 2,249 2,251 1,254 6,256 1,260 4,265 2,268 2,270 2,273 636,274 14.792,275 14.792,276 14.792,277 14.792,278 14.792,279 12.613,280 12.82,281 8.798,282 15.067,283 11.849,284 11.849,285 11.849,286 11.849,287 11.849,288 8.571,289 14.402,290 4.211,291 12.274,292 3.536,293 1.722,294 1.132,295 0.465,296 0.389,297 0.389,298 3.828,300 1,301 1,302 1,303 473,304 2.828,307 187.196,311 96.184,314 1.545,315 24.389,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48,327 220,328 4.555,329 3.668,330 6.519,331 4.072,332 3.099,333 4.5,334 1.727,335 10.234,336 3.021,337 4.045,338 3.083,339 5.973,340 3.675,341 2.701,342 3.505,343 0.636,344 8.387,345 2.618,346 3.881,347 2.763,348 5.337,349 3.482,350 2.488,351 3.426,353 6.954,354 2.472,355 3.5,356 2.286,357 5.065,358 3.031,359 2.105,360 2.863,362 5.912,363 1.94,364 3.422,365 2.093,366 5.011,367 2.939,368 1.993,369 2.811,371 5.793,372 1.883,373 2.962,374 1.812,375 4.198,376 2.537,377 1.568,378 2.127,380 3.818,381 1.515,382 2.812,383 1.729,384 3.708,385 2.313,386 1.328,387 1.878,389 3.04,390 1.291,391 2.5,392 1.257,393 3.605,394 2,395 1.004,396 1.5,398 2.565,399 1,400 2.445,401 1.057,402 3.247,403 1.977,404 1,405 1.42,407 2.136,408 0.974,409 1.765,410 1,411 2.994,412 1.415,413 0.471,414 0.575,415 1.074,416 0.436,417 1.384,418 0.231,419 2.703,420 0.918,421 -0.038,422 -0.051,423 -0.094,424 -0.036,425 0.97,426 0.034,427 2.534,428 0.479,429 -0.447,430 -0.577,431 -1.155,432 -0.411,433 0.79,434 -0.298,435 2.354,436 0.388,437 -0.601,438 -0.77,439 -1.33,440 -0.589,441 0.597,442 -0.555,443 2.045,444 0.154,445 -0.815,446 -1.076,448 -2.09,449 -0.778,450 0.5,451 -0.716,452 1.609,453 0.112,454 -0.867,455 -1.208,457 -2.347,458 -0.856,459 10.267,460 0.467,461 0.541,462 0.025,463 32.75,464 1.489,465 18.5,466 0.841,467 14.25,468 0.648,469 12.581,470 0.572,471 22.733,472 0.631,473 23.005,474 1.046,475 6.733,476 0.306,477 3.898,478 0.177,479 0.11,481 0.341,485 0.9,486 1.076,487 0.743,488 0.891,489 0.881,490 0.788,491 0.649,492 0.881,493 0.764,494 0.961,495 0.506,496 0.914,497 0.95,498 1.234,499 0.945,500 1.183,501 0.781,502 1.075,503 1.529,504 1.053,505 1.147,506 1.095,507 1.436,508 1.073,509 1.48,510 1.062,511 1.125,512 1.049,513 1.384,514 1.017,515 0.889,516 0.647,517 0.877,518 0.807,519 1.217,520 0.851,521 1.347,522 0.928,523 1.036,524 0.978,525 1.638,526 0.981,527 0.672,528 0.913,529 1.116,530 1.03,531 0.762,532 1.131,533 4.5,534 0.07,535 2.444,536 1.25,537 1.289,538 0.75,539 0.304,540 0.193,541 0.188,542 0.097,543 5216,544 15441,545 2.07,546 38.9,548 10,551 4,555 1.641,556 1.941,557 3.287,558 1.87,559 1,560 1,562 1,564 58.814,565 1.634,566 3.448,567 4.038,568 4.705,569 4.781,570 4.781,571 2.738,572 4.187,573 4.431,574 3.426,575 791.301,576 7.592,577 8761.25,578 1,579 1,581 1,582 186.117,583 1.395,584 4.392,585 0.188,586 0.006,587 0.074,588 0.038,589 0.048,590 0.033,591 0.014,592 0.011,593 0.012,594 0.007,595 0.43,596 0.17,597 1,598 0.595,599 101.938,600 -0.143,601 0.058,602 0.002,603 0.079,604 -0.209,605 0.083,606 0.267,607 0.174,608 0.061,609 0.029,610 0.171,611 -0.003,612 -0.09,613 -0.209,614 -0.066,615 -0.213,616 -0.027,617 -0.141,618 -0.191,619 -0.119,620 -0.136,621 -0.132,622 -0.133,623 -0.134,624 -0.238,625 -0.106,626 -0.108,627 -0.102,628 -0.165,629 -0.075,630 0.41,631 0.258,632 0.192,633 0.173,634 0.292,635 0.139,636 -0.191,637 -0.05,638 -0.047,639 0.056,640 -0.229,641 0.028,642 0.091,643 0.096,644 -0.196,645 -0.056,646 0.07,647 -0.159,648 2.095,649 5.111,650 0.727,651 18.083,652 1.013,653 1.125,654 3.229,655 10.426,656 0.687,657 3.219,658 3.526,659 3.761,660 3.989,661 4.22,662 4.22,663 4.248,664 4.304,665 4.344,666 4.263,667 5.812,668 0.671,669 294.34,670 3.219,671 4.745,672 5.58,673 6.444,674 7.296,675 8.166,676 9.026,677 9.899,678 10.763,679 11.639,680 11.1,684 2,690 2,694 2,695 8,696 2,700 4,702 17,710 1,711 2,718 36,719 18,720 2,721 24,723 38,724 16,725 14,726 4,727 8,728 1,729 3,730 4,741 15,742 1,744 1,748 1,751 1,753 1,754 1,757 14,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,781 3,785 1,802 2,810 22,811 2,816 1,818 1,829 5.6,832 1,834 1,836 11.333,837 6.317,838 4.833,839 1.901,840 3.217,841 1.471,842 1.011,843 3.897,844 10.042,845 3.541,846 4.174,847 4.773,848 5.359,849 5.957,850 6.205,851 6.536,852 6.873,853 7.177,854 7.131,855 0.857,856 33,857 8.073,859 3.427,860 7.939,861 14.963,863 11.925,865 2.439,866 53.667,870 117.711,871 102.909,872 99.365,874 36.145,877 102.909,878 153.856,879 99.365,881 4.592,882 141.604,883 65.907,884 22.088,885 4.227,886 117.711,888 117.711,889 202.274,890 36.145,893 117.711,894 36.145,897 8.636,898 160.068,899 33.571,901 117.711,902 135.51,903 102.909,906 117.711,907 27.099,908 75.81,910 135.51,911 117.711,912 135.51,913 102.909,915 0.58,916 0.333,917 0.176,918 0.098,919 16,920 7,921 0.105,922 4,923 1,924 1.125,925 3.484,926 167.563,927 0.125,928 16,929 90.107,933 14.295,934 5.997,935 3.179,936 1.16,937 135.51,938 14.374,939 7.953,943 1.653,945 65.794,946 356.13,947 33.5,951 12.111,954 -0.429,956 36.48,957 40.488,958 0.316,959 0.667,960 0.781,961 0.91,962 0.925,963 0.925,964 4.747,965 1.004,966 5.557,967 3.04,968 4.205,969 4.86,970 2.051,971 6.333,972 4.139,973 5.967,974 1,975 7.096,976 2.565,977 3.761,978 4.677,980 7.154,981 3.674,982 7.275,983 0.471,984 8.733,985 2.136,986 5.765,987 7.115,988 2.951,989 10.237,990 5.643,991 8.618,992 -0.038,993 10.428,994 1.074,995 6.111,996 7.746,998 11.879,999 5.973,1000 9.991,1001 -0.447,1002 12.161,1003 -0.094,1004 7.597,1005 9.664,1006 3.994,1007 14.479,1008 7.43,1009 11.387,1010 -0.601,1011 13.919,1012 -1.155,1013 8.326,1014 10.71,1016 16.484,1017 8.141,1018 12.801,1019 -0.815,1020 15.696,1021 -1.33,1022 9.591,1023 12.396,1024 5.073,1025 18.908,1026 9.38,1027 3.099,1028 -0.867,1029 17.488,1030 -2.09,1031 10.513,1032 13.665,1034 21.081,1035 10.281,1036 2.701,1037 10.234,1038 19.292,1039 -2.347,1040 11.683,1041 15.245,1042 6.161,1043 23.437,1044 11.426,1045 2.488,1046 8.387,1047 21.106,1048 4.5,1049 12.703,1050 16.631,1052 25.688,1053 12.421,1054 2.105,1055 6.954,1056 22.928,1057 3.505,1058 13.835,1059 18.163,1060 7.253,1061 28.019,1062 13.528,1063 1.993,1064 5.912,1065 24.757,1066 3.426,1067 14.903,1068 19.608,1070 30.307,1071 14.571,1072 1.568,1073 5.793,1074 26.591,1075 2.863,1076 16.023,1077 21.122,1078 8.346,1079 32.63,1080 15.666,1081 1.328,1082 3.818,1083 28.431,1084 2.811,1085 17.116,1086 22.596,1088 34.935,1089 16.733,1090 5044,1091 8801,1092 16.008,1093 24.739,1094 35.856,1095 36.832,1096 36.313,1097 35.547,1098 35.513,1099 49.209,1100 4.727,1101 99.826,1102 34.301,1103 5.42,1104 5.668,1105 6.321,1106 5.144,1107 5.099,1108 7.5,1109 3.455,1110 17.128,1111 5.021,1112 9.917,1113 1.494,1114 1.535,1115 1.513,1116 1.481,1117 1.48,1118 2.05,1119 0.197,1120 4.159,1121 1.429,1122 4.071,1123 4.102,1124 4.044,1125 3.98,1126 7.433,1127 3.991,1128 3.904,1129 3.934,1130 3.831,1131 3.841,1132 5.306,1133 3.834,1134 3.559,1135 3.594,1136 3.525,1137 3.345,1138 4.982,1139 3.385,1140 3.275,1141 3.315,1142 3.181,1143 3.056,1144 4.777,1145 3.073,1146 3.131,1147 3.236,1148 3.021,1149 2.917,1150 4.673,1151 2.927,1152 2.994,1153 3.042,1154 2.884,1155 2.772,1156 4.346,1157 2.804,1158 2.854,1159 2.925,1160 2.687,1161 2.735,1162 4.098,1163 2.715,1164 2.694,1165 2.799,1166 2.5,1167 2.402,1168 3.794,1169 2.417,1170 0.19,1171 0.153,1172 0.272,1173 0.17,1174 0.129,1175 4.555,1176 0.188,1177 3.668,1178 0.072,1179 6.519,1180 0.426,1181 4.072,1182 0.126,1183 3.099,1184 4.5,1185 1.727,1186 10.234,1187 3.021,1188 2.013,1189 1.99,1190 2.072,1191 2.125,1192 1.183,1193 2.109,1194 1.902,1195 1.874,1196 2.03,1197 1.99,1198 1.13,1199 2.004,1200 1.443,1201 1.408,1202 1.55,1203 1.689,1204 0.616,1205 1.65,1206 1.201,1207 1.153,1208 1.448,1209 1.46,1210 0.437,1211 1.451,1212 1.056,1213 0.987,1214 1.296,1215 1.386,1216 0.235,1217 1.371,1218 0.916,1219 0.861,1220 1.181,1221 1.171,1222 0.218,1223 1.16,1224 0.886,1225 0.821,1226 1.132,1227 1.062,1229 1.107,1230 0.653,1231 0.542,1232 0.998,1233 0.966,1235 0.994,1236 3.892,1238 5.198,1240 6.706,1242 8.305,1244 9.954,1250 11.349,1252 0.214,1254 5.281,1262 24.149,1263 58.814,1264 124.117,1265 145.362,1266 169.362,1267 172.117,1268 172.117,1269 33.407,1270 6.825,1271 104.12,1272 104.12,1273 18,1274 12.18,1275 4.248,1276 3.392,1277 34.64,1278 76,1279 74,1280 0.223,1281 150.891,1282 253.4,1283 359.934,1284 7926,1286 15.527,1287 0.706,1288 0.531,1289 15.527,1290 11.692,1291 10.631,1292 0.443,1293 0.278,1294 6.574,1295 10.237,1296 6.446,1297 5.361,1298 10.631,1299 6.671,1300 9.61,1301 0.291,1302 0.144,1303 9.61,1304 4.761,1305 7.859,1306 0.187,1307 0.076,1308 7.859,1309 3.191,1310 6.441,1311 0.122,1312 0.04,1313 6.441,1314 2.104,1315 5.157,1316 0.077,1317 0.021,1318 5.157,1319 1.382,1320 0.351,1321 66.666,1322 0.25,1323 21.893,1324 0.606,1325 114,1326 361.386,1327 126.251,1328 352.448,1329 479.58,1330 328,1331 132,1332 353.415,1333 143.31,1334 359.533,1335 523.43,1336 337,1337 6.377}
{0 CHEMBL309217,1 1.416,2 7.789,3 2.248,4 5.055,5 81.166,6 6.773,7 0.6,8 3.712,9 3.87,10 3.184,11 3.19,12 4.835,13 3.16,14 4.196,15 4.421,16 3.518,17 3.547,18 5.251,19 3.493,20 4.36,21 4.572,22 3.597,23 3.716,24 5.377,25 3.645,26 4.489,27 4.716,28 3.581,29 3.774,30 5.53,31 3.666,32 4.587,33 4.852,34 3.384,35 3.721,36 5.583,37 3.577,38 4.511,39 4.834,40 3.023,41 3.489,42 5.342,43 3.294,44 4.133,45 4.453,46 2.832,47 3.154,48 4.923,49 2.972,50 3.845,51 4.119,52 2.757,53 2.93,54 4.787,55 2.817,56 0.053,57 0.591,58 8.751,59 2.888,60 10.61,61 4.563,62 0.211,63 0.865,64 14.925,65 4.969,66 21.523,67 7.597,68 0.134,69 1.018,70 17.377,71 5.682,72 16.679,73 8.983,74 0.16,75 1.094,76 19.862,77 6.968,78 27.972,79 10.717,80 0.221,81 1.089,82 22.635,83 6.581,84 40.171,85 10.898,86 0.23,87 0.871,88 21.571,89 6.164,90 36.717,91 10.293,92 0.181,93 0.605,94 14.605,95 4.804,96 19.685,97 7.506,98 0.096,99 0.509,100 10.758,101 2.788,102 13.665,103 4.899,104 30,105 28,106 0.258,107 0.62,108 0.743,109 0.782,110 0.782,111 0.782,112 3.011,113 0.933,114 -3.75,115 -3.72,116 -3.54,119 36.8,120 1,121 1,124 2,139 4,140 2,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 5,172 3,173 3,175 1,178 7,180 1,182 5,187 1,189 6,191 1,193 6,195 1,196 1,197 1,198 5,200 2,201 3,204 5,205 1,207 6,212 5,215 4,218 5,226 2,229 2,231 2,233 2,234 1,236 1,237 1,239 2,243 2,246 1,262 1,263 1,273 420,274 12.439,275 12.439,276 12.439,277 12.439,278 12.439,279 10.974,280 16.479,281 7.168,282 12.726,283 9.766,284 9.766,285 9.766,286 9.766,287 9.766,288 7.503,289 22.591,290 3.262,291 10.232,292 3.832,293 1.844,294 1.165,295 0.954,296 0.954,297 0.954,298 3.661,300 1,301 1,302 1,303 300,304 2.646,307 123.146,314 1.191,315 12.346,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 40.5,327 148,328 4.517,329 3.238,330 6.762,331 4.132,332 3.157,333 4.23,334 0.8,335 11.039,336 3.085,337 4.043,338 2.96,339 5.92,340 3.685,341 2.735,342 3.59,344 8.177,345 2.6,346 3.648,347 2.411,348 5.338,349 3.252,350 2.315,351 3,353 6.735,354 2.168,355 3.303,356 2.228,357 5.038,358 2.937,359 1.989,360 2.551,362 5.705,363 1.88,364 3.18,365 1.963,366 4.783,367 2.771,368 1.829,369 2.404,371 5.058,372 1.717,373 2.5,374 1.403,375 3.804,376 2.171,377 1.22,378 1.5,380 2.906,381 1.156,382 2.435,383 1,384 3.414,385 2,386 1,387 1.425,389 2.275,390 1,391 1.707,392 0.649,393 3.246,394 1.518,395 0.536,396 0.606,398 0.99,399 0.526,400 1.302,401 0.137,402 2.73,403 0.984,404 0.038,405 0.046,407 0.082,408 0.036,409 0.833,410 -0.305,411 2.341,412 0.442,413 -0.476,414 -0.586,415 -1.145,416 -0.436,417 0.765,418 -0.475,419 2.17,420 0.359,421 -0.601,422 -0.766,423 -1.441,424 -0.576,425 0.5,426 -0.6,427 2,428 0.004,429 -0.943,430 -1,431 -2,432 -0.892,433 0.217,434 -0.736,435 1.769,437 -1,438 -1.079,439 -2.115,440 -0.9,442 -1,443 1.456,444 -0.1,445 -1,446 -1.5,448 -3,449 -1,450 -0.227,451 -1.342,452 1.148,453 -0.576,454 -1.5,455 -1.79,457 -4.032,458 -1.373,459 9,460 0.474,461 0.562,462 0.03,463 25.75,464 1.355,465 13.5,466 0.711,467 12.25,468 0.645,469 13.3,470 0.7,471 21,472 0.553,473 17.529,474 0.923,475 5.073,476 0.267,477 3.951,478 0.208,479 0.256,481 0.378,485 1.178,486 1.434,487 0.939,488 1.113,489 1.374,490 1.013,491 0.755,492 0.82,493 0.744,494 0.781,495 0.392,496 0.764,497 1.115,498 1.181,499 0.987,500 1.041,501 0.903,502 1.004,503 0.736,504 1.272,505 1.031,506 1.284,507 0.702,508 1.209,509 1.283,510 1.191,511 1.261,512 1.213,513 1.453,514 1.231,515 1.049,516 0.869,517 1.003,518 0.91,519 1.203,520 0.944,521 0.386,522 0.793,523 0.737,524 0.911,525 0.614,526 0.876,527 1.229,528 1.373,529 1.055,530 1.159,531 0.865,532 1.095,533 4.5,535 2.444,536 2,537 1.267,538 0.604,539 0.424,540 0.278,541 0.14,542 0.071,543 2780,544 6738,545 1.935,546 50,547 3,548 10,551 4,552 2,555 1.606,556 1.754,557 2.926,558 1.986,560 1,562 1,564 53.798,565 1.416,566 3.404,567 4.083,568 4.294,569 4.294,570 4.294,571 2.465,572 3.827,573 4.217,574 3.072,575 525.371,576 7.197,577 5066.95,578 1,579 1,581 1,582 199.421,583 1.568,584 4.14,585 0.225,587 0.087,588 0.067,589 0.045,590 0.029,591 0.03,592 0.023,593 0.013,594 0.014,595 0.533,596 0.5,597 1,598 1.072,599 81.397,600 -0.138,601 -0.141,602 0.018,603 -0.006,604 -0.296,605 0.021,606 0.29,607 0.318,608 0.231,609 0.255,610 0.361,611 0.239,612 -0.152,613 -0.03,614 -0.03,615 0.02,616 -0.087,617 0.012,618 0.089,619 -0.188,620 -0.09,621 -0.217,622 0.16,623 -0.183,624 -0.243,625 -0.175,626 -0.289,627 -0.245,628 -0.242,629 -0.269,630 -0.105,631 -0.018,632 -0.023,633 0.014,634 -0.144,635 0.007,636 0.4,637 0.04,638 0.228,639 0.055,640 0.177,641 0.109,642 -0.09,643 -0.392,644 -0.062,645 -0.232,646 0.092,647 -0.156,648 1.442,649 1.986,650 0.632,651 12.659,652 0.992,653 1.142,654 2.524,655 6.372,656 0.641,657 3.045,658 3.367,659 3.611,660 3.85,661 4.007,662 4.025,663 4.043,664 3.989,665 3.807,666 3.664,667 4.699,668 0.6,669 257.38,670 3.045,671 4.575,672 5.416,673 6.297,674 7.159,675 8.044,676 8.912,677 9.799,678 10.671,679 11.559,680 13.2,684 2,686 1,690 2,695 4,696 2,700 6,702 12,711 2,714 1,718 38,719 12,720 1,721 20,723 39,724 14,725 10,726 2,727 4,729 2,730 2,734 1,739 1,741 10,742 4,754 1,757 19,758 5,759 4,760 5,764 5,769 1,776 1,781 2,802 2,806 3,810 19,811 2,816 1,821 1,836 10.833,837 7.6,838 4.278,839 2.185,840 2.338,841 1.377,842 0.968,843 3.907,844 8.541,845 3.296,846 3.912,847 4.494,848 5.075,849 5.598,850 5.829,851 6.135,852 6.381,853 6.574,854 6.778,855 1,856 30,857 6.954,859 2.794,860 7.684,861 13.276,863 10.312,865 2.184,866 41.5,867 0.001,870 176.567,871 82.169,872 102.49,877 82.169,878 176.567,879 102.49,880 25.618,881 2.535,882 103.699,883 33.571,884 15.009,885 4.227,886 176.567,888 176.567,889 184.659,893 176.567,897 16.016,898 135.072,899 33.571,901 176.567,902 102.49,903 82.169,906 176.567,907 18.646,908 66.647,910 99.365,911 176.567,912 102.49,913 82.169,915 0.583,916 0.346,917 0.186,918 0.097,919 13,920 7,921 0.077,922 3,924 1,925 2.984,926 136.058,928 12,929 72.711,933 13.622,934 5.449,935 2.791,937 102.49,938 8.147,939 8.313,943 4.561,945 65.794,946 361.225,947 26,956 37.694,957 43.398,958 0.27,959 0.649,960 0.778,961 0.818,962 0.818,963 0.818,964 4.522,965 0.536,966 5.425,967 2.275,968 4.043,969 4.595,970 0.673,971 6.252,972 3.959,973 5.748,974 0.038,975 7.004,976 0.99,977 3.761,978 4.477,979 0.325,980 7.231,981 3.622,982 7.065,983 -0.476,984 8.683,985 0.082,986 5.652,987 6.811,988 0.379,989 10.312,990 5.498,991 8.418,992 -0.601,993 10.418,994 -1.145,995 6.133,996 7.447,997 0.268,998 12.111,999 5.939,1000 9.8,1001 -0.943,1002 12.189,1003 -1.441,1004 7.552,1005 9.303,1006 0.239,1007 14.739,1008 7.344,1009 11.203,1010 -1,1011 13.987,1012 -2,1013 8.382,1014 10.309,1015 0.188,1016 16.89,1017 8.146,1018 12.623,1019 -1,1020 15.805,1021 -2.115,1022 9.619,1023 11.951,1024 0.156,1025 19.365,1026 9.367,1027 3.157,1028 -1.5,1029 17.638,1030 -3,1031 10.613,1032 13.153,1033 0.125,1034 21.664,1035 10.338,1036 2.735,1037 11.039,1038 19.483,1039 -4.032,1040 11.78,1041 14.69,1042 0.102,1043 24.088,1044 11.489,1045 2.315,1046 8.177,1047 21.34,1048 4.23,1049 12.85,1050 16,1051 0.082,1052 26.447,1053 12.539,1054 1.989,1055 6.735,1056 23.205,1057 3.59,1058 13.993,1059 17.484,1060 0.066,1061 28.853,1062 13.664,1063 1.829,1064 5.705,1065 25.077,1066 3,1067 15.099,1068 18.852,1069 0.054,1070 31.236,1071 14.751,1072 1.22,1073 5.058,1074 26.955,1075 2.551,1076 16.236,1077 20.311,1078 0.043,1079 33.638,1080 15.869,1081 1,1082 2.906,1083 28.838,1084 2.404,1085 17.359,1086 21.711,1087 0.035,1088 36.031,1089 16.973,1090 2920,1091 4646,1092 12.542,1093 24.358,1094 29.868,1095 29.566,1096 31.81,1097 29.709,1098 29.636,1099 38.703,1100 1.6,1101 85.932,1102 28.333,1103 5.208,1104 5.238,1105 6.284,1106 5.203,1107 5.157,1108 7.23,1109 1.2,1110 17.922,1111 5.085,1112 11.666,1113 1.493,1114 1.478,1115 1.59,1116 1.485,1117 1.482,1118 1.935,1119 0.08,1120 4.297,1121 1.417,1122 4.013,1123 4.05,1124 3.974,1125 3.931,1126 5.285,1127 3.935,1128 3.779,1129 3.836,1130 3.723,1131 3.63,1132 4.981,1133 3.646,1134 3.428,1135 3.517,1136 3.266,1137 3.223,1138 4.739,1139 3.215,1140 3.387,1141 3.481,1142 3.204,1143 3.163,1144 4.422,1145 3.168,1146 3.081,1147 3.202,1148 2.942,1149 2.798,1150 4.17,1151 2.821,1152 2.874,1153 3.009,1154 2.687,1155 2.735,1156 3.965,1157 2.715,1158 2.854,1159 2.925,1160 2.635,1161 2.618,1162 3.674,1163 2.57,1164 2.815,1165 2.924,1166 2.499,1167 2.549,1168 3.609,1169 2.563,1170 0.226,1171 0.162,1172 0.338,1173 0.207,1174 0.158,1175 4.517,1176 0.212,1177 3.238,1178 0.04,1179 6.762,1180 0.552,1181 4.132,1182 0.154,1183 3.157,1184 4.23,1185 0.8,1186 11.039,1187 3.085,1188 1.967,1189 1.94,1190 2.057,1191 2.074,1192 1.201,1193 2.068,1194 1.728,1195 1.678,1196 1.891,1197 1.913,1198 1.039,1199 1.905,1200 1.417,1201 1.328,1202 1.722,1203 1.654,1204 0.801,1205 1.686,1206 1.359,1207 1.268,1208 1.604,1209 1.624,1210 0.575,1211 1.636,1212 0.984,1213 0.887,1214 1.417,1215 1.367,1216 0.469,1217 1.351,1218 0.934,1219 0.821,1220 1.267,1221 1.239,1222 0.218,1223 1.308,1224 0.886,1225 0.804,1226 1.181,1227 1.089,1228 0.132,1229 1.108,1230 0.771,1231 0.665,1232 1.118,1233 1.062,1234 0.047,1235 1.107,1236 3.714,1238 5.03,1240 6.553,1242 8.171,1244 9.84,1246 6.041,1250 11.623,1252 0.766,1257 2.049,1262 22.795,1263 53.798,1264 129.367,1265 155.157,1266 163.157,1267 163.157,1268 163.157,1269 25.957,1270 6.203,1271 81.06,1272 81.06,1273 12,1274 12.092,1275 3.7,1276 2.807,1277 33.557,1278 52,1279 52,1280 0.327,1281 146.684,1282 243.4,1283 349.668,1284 3072,1286 13.991,1287 0.736,1288 0.606,1289 13.991,1290 11.513,1291 9.024,1292 0.451,1293 0.311,1294 6.135,1295 8.706,1296 5.859,1297 4.983,1298 9.024,1299 6.222,1300 8.218,1301 0.294,1302 0.164,1303 8.218,1304 4.584,1305 6.509,1306 0.181,1307 0.084,1308 6.509,1309 3.036,1310 5.512,1311 0.12,1312 0.044,1313 5.512,1314 2.043,1315 4.08,1316 0.076,1317 0.024,1318 4.08,1319 1.28,1320 0.494,1321 56.282,1322 0.282,1323 18.695,1324 0.955,1325 96,1326 245.56,1327 104.132,1328 249.029,1329 347.9,1330 232,1331 112,1332 267.437,1333 119.827,1334 276.667,1335 399.71,1336 258,1337 5.208}
{0 CHEMBL309371,1 1.679,2 5.857,3 0.351,4 0.123,5 55.277,6 7.926,7 0.733,8 3.318,9 3.456,10 2.905,11 2.787,12 4.602,13 2.807,14 3.732,15 3.892,16 3.25,17 3.146,18 5.034,19 3.138,20 3.905,21 4.093,22 3.273,23 3.233,24 5.123,25 3.212,26 3.941,27 4.156,28 3.093,29 3.112,30 5.196,31 3.054,32 3.83,33 4.089,34 2.728,35 2.838,36 4.975,37 2.753,38 3.586,39 3.887,40 2.274,41 2.395,42 4.887,43 2.266,44 3.087,45 3.418,46 1.487,47 1.81,48 4.019,49 1.648,50 2.233,51 2.503,52 1.104,53 1.161,54 3.681,55 1.054,56 0.093,57 0.389,58 4.72,59 1.642,60 16.385,61 2.193,62 0.178,63 0.568,64 7.646,65 3.103,66 23.257,67 4.043,68 0.146,69 0.641,70 9.39,71 3.114,72 16.605,73 4.54,74 0.212,75 0.582,76 10.661,77 3.418,78 30.659,79 4.947,80 0.205,81 0.461,82 10.441,83 2.612,84 31.425,85 4.204,86 0.305,87 0.293,88 9.169,89 1.869,90 41.672,91 3.277,92 0.146,93 0.145,94 6.15,95 1.359,96 22.338,97 2.224,98 0.081,99 0.064,100 2.175,101 0.461,102 14.975,103 0.789,104 11,105 21,106 0.34,107 0.731,108 0.805,109 0.879,110 0.879,111 0.879,112 2.735,113 0.826,114 -2.55,115 -2.57,116 -2.51,119 37.5,125 1,139 3,140 2,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 3,172 3,173 3,175 2,178 4,180 1,182 3,187 3,189 2,191 1,193 3,195 1,196 1,197 1,198 6,200 2,204 4,205 1,207 1,212 3,218 3,224 2,225 1,226 1,228 1,231 1,250 1,253 1,273 152,274 9.317,275 9.317,276 9.317,277 9.317,278 9.317,279 7.981,280 11.041,281 5.394,282 9.516,283 7.332,284 7.332,285 7.332,286 7.332,287 7.332,288 5.282,289 12.894,290 2.488,291 7.677,292 2.906,293 0.98,294 0.615,295 0.25,296 0.25,297 0.25,298 3.375,301 1,302 1,303 169,304 1.871,307 58.068,311 49.926,314 1.02,315 15.809,318 1,319 0.83,320 0.83,321 0.6,323 1,324 1,325 0.75,326 31,327 82,328 4.54,329 3.13,330 6.502,331 4.047,332 3.077,333 4.491,334 0.765,335 10.172,336 2.988,337 3.763,338 2.654,339 5.287,340 3.361,341 2.397,342 3.229,344 6.761,345 2.312,346 3.429,347 2.188,348 5.062,349 2.973,350 2.04,351 2.811,353 5.8,354 1.897,355 3.369,356 2.046,357 4.964,358 2.906,359 1.957,360 2.693,362 5.72,363 1.851,364 2.454,365 1.099,366 3.71,367 1.983,368 1.008,369 1.434,371 2.565,372 0.98,373 1.755,374 1.049,375 2.933,376 1.47,377 0.568,378 0.646,380 0.96,381 0.506,382 1.217,383 0.129,384 2.647,385 0.819,386 -0.091,387 -0.115,389 -0.182,390 -0.082,391 0.96,392 -0.297,393 2.487,394 0.475,395 -0.449,396 -0.578,398 -1.152,399 -0.413,400 0.569,401 -0.585,402 2.132,403 0.15,404 -0.815,405 -1.042,407 -1.992,408 -0.773,409 0.403,410 -0.74,411 1.558,412 0.075,413 -0.867,414 -1.147,415 -2.415,416 -0.83,417 -0.183,418 -1.201,419 1.411,420 -0.528,421 -1.483,422 -1.831,423 -3.906,424 -1.389,425 -0.236,426 -1.402,427 1.113,428 -0.609,429 -1.524,430 -2.02,431 -4.227,432 -1.412,433 -0.5,434 -1.731,435 1,436 -0.85,437 -1.818,438 -2.569,439 -5.211,440 -1.76,441 -0.5,442 -2,443 0.743,444 -1,445 -2,446 -3,448 -5.999,449 -1.875,450 -0.54,451 -2,452 0.453,453 -1.072,454 -2,455 -3,456 -0.765,457 -6.894,458 -2,459 6.433,460 0.46,461 0.383,462 0.027,463 20.25,464 1.446,465 11,466 0.786,467 9.25,468 0.661,469 7.163,470 0.512,471 15.167,472 0.632,473 12.252,474 0.875,475 4.123,476 0.294,477 2.58,478 0.184,479 0.176,481 0.389,485 1.196,486 1.151,487 0.845,488 0.814,489 1.297,490 0.752,491 0.685,492 0.875,493 0.72,494 0.925,495 0.721,496 0.867,497 0.885,498 1.288,499 0.928,500 1.121,501 0.688,502 1.03,503 0.945,504 1.224,505 1.073,506 1.29,507 0.927,508 1.233,509 1.133,510 1.214,511 1.199,512 1.21,513 1.161,514 1.205,515 0.883,516 0.644,517 1.172,518 0.844,519 0.923,520 1.015,521 1.354,522 0.555,523 0.95,524 0.634,525 1.403,526 0.714,527 0.808,528 0.678,529 1.204,530 1,531 0.901,532 1.151,533 3.5,535 1.556,536 1.063,537 1.098,538 0.292,539 0.141,540 0.059,543 1165,544 3916,545 1.993,546 41.7,548 5,551 5,555 1.513,556 1.826,557 2.585,558 3.384,564 40.29,565 1.679,566 3.605,567 3.97,568 4.335,569 4.335,570 4.335,571 2.236,572 3.379,573 3.779,574 2.619,575 238.3,576 6.318,577 1806.92,579 1,582 110.039,583 1.531,584 3.714,585 0.233,587 0.074,588 0.051,589 0.069,590 0.029,591 0.028,592 0.03,595 0.514,596 0.5,597 1,598 1.02,599 51.677,600 -0.31,601 0.075,602 -0.057,603 0.218,604 -0.379,605 0.155,606 0.149,607 0.274,608 0.106,609 0.136,610 0.061,611 0.095,612 -0.151,613 -0.182,614 -0.084,615 -0.113,616 -0.05,617 -0.08,618 -0.038,619 -0.241,620 -0.154,621 -0.31,622 -0.007,623 -0.274,624 -0.199,625 -0.318,626 -0.21,627 -0.304,628 -0.195,629 -0.259,630 0.259,631 0.15,632 -0.07,633 -0.018,634 0.207,635 -0.085,636 -0.124,637 0.037,638 0.252,639 0.27,640 -0.125,641 0.329,642 0.481,643 0.086,644 -0.086,645 -0.173,646 0.604,647 -0.228,648 1.528,649 2.936,650 0.714,651 6.531,652 1.016,653 1.144,654 1.32,655 1.741,656 0.657,657 2.773,658 3.091,659 3.332,660 3.584,661 3.807,662 3.761,663 3.664,664 3.526,665 3.367,666 2.708,667 3.533,668 0.641,669 190.23,670 2.773,671 4.29,672 5.13,673 6.009,674 6.87,675 7.753,676 8.621,677 9.505,678 10.376,679 11.259,680 16.7,684 2,690 2,694 2,695 3,696 2,700 3,702 11,711 2,718 24,719 11,720 1,721 15,723 25,724 9,725 8,726 3,727 3,729 2,730 3,734 1,741 8,742 1,754 1,757 10,758 5,759 5,760 5,764 4,769 0.5,770 1,771 1,776 1,781 2,785 1,800 1,802 1,810 14,811 2,815 1,816 1,829 4.2,830 1,836 7.667,837 4.017,838 3.139,839 1.161,840 2.376,841 1.413,842 0.965,843 2.133,844 8.125,845 3.068,846 3.75,847 4.388,848 5.03,849 5.645,850 5.91,851 6.188,852 6.436,853 6.7,854 6.049,855 1,856 21,857 5.094,858 0.002,859 2.133,860 8.06,861 9.374,862 0.001,863 7.42,864 -0.001,865 2.56,866 35.833,867 0.003,870 58.856,871 40.558,872 99.365,874 42.683,877 40.558,878 101.539,879 99.365,882 136.906,883 33.571,884 7.903,885 4.227,886 58.856,888 58.856,889 139.924,890 42.683,893 58.856,895 42.683,897 4.043,898 102.31,899 33.571,901 58.856,902 142.049,903 40.558,906 58.856,907 12.13,908 28.429,910 142.049,911 58.856,912 142.049,913 40.558,915 0.581,916 0.343,917 0.187,918 0.106,919 11,920 5,921 0.04,922 1,923 1,924 1.2,925 2.555,926 89.146,927 0.2,928 10,929 53.303,933 9.027,934 3.308,935 1.595,936 1.401,937 142.049,938 5.285,939 7.857,943 1.27,945 108.478,946 241.463,947 20.5,956 24.385,957 27.448,958 0.366,959 0.786,960 0.866,961 0.945,962 0.945,963 0.945,964 4.273,965 -0.449,966 5.13,967 -0.182,968 3.761,969 4.431,970 0.775,971 5.938,972 3.677,973 5.518,974 -0.815,975 6.691,976 -1.152,977 3.434,978 4.407,980 6.823,981 3.319,982 6.849,983 -0.867,984 8.347,985 -1.992,986 5.352,987 6.771,988 0.521,989 9.9,990 5.201,991 8.217,992 -1.483,993 10.056,994 -2.415,995 5.771,996 7.521,998 11.574,999 5.594,1000 9.612,1001 -1.524,1002 11.799,1003 -3.906,1004 7.213,1005 9.399,1006 0.336,1007 14.194,1008 7.008,1009 11.028,1010 -1.818,1011 13.566,1012 -4.227,1013 7.996,1014 10.535,1016 16.229,1017 7.767,1018 12.461,1019 -2,1020 15.352,1021 -5.211,1022 9.243,1023 12.203,1024 0.21,1025 18.675,1026 8.988,1027 3.077,1028 -2,1029 17.153,1030 -5.999,1031 10.206,1032 13.533,1034 20.873,1035 9.925,1036 2.397,1037 10.172,1038 18.967,1039 -6.894,1040 11.374,1041 15.108,1042 0.128,1043 23.246,1044 11.067,1045 2.04,1046 6.761,1047 20.792,1048 4.491,1049 12.423,1050 16.532,1052 25.514,1053 12.089,1054 1.957,1055 5.8,1056 22.625,1057 3.229,1058 13.561,1059 18.065,1060 0.077,1061 27.857,1062 13.2,1063 1.008,1064 5.72,1065 24.465,1066 2.811,1067 14.65,1068 19.532,1070 30.154,1071 14.26,1072 0.568,1073 2.565,1074 26.312,1075 2.693,1076 15.776,1077 21.047,1078 0.046,1079 32.484,1080 15.359,1081 -0.091,1082 0.96,1083 28.163,1084 1.434,1085 16.884,1086 22.534,1088 34.794,1089 16.437,1090 1244,1091 2331,1092 9.652,1093 15.761,1094 22.22,1095 22.461,1096 23.315,1097 22.121,1098 22.095,1099 30.606,1100 1.529,1101 63.956,1102 21.07,1103 5.08,1104 5.13,1105 6.049,1106 5.118,1107 5.077,1108 7.491,1109 1.529,1110 17.066,1111 4.988,1112 7.092,1113 1.481,1114 1.497,1115 1.554,1116 1.475,1117 1.473,1118 2.04,1119 0.102,1120 4.264,1121 1.405,1122 4.065,1123 4.099,1124 4.034,1125 3.977,1126 6.457,1127 3.986,1128 3.536,1129 3.595,1130 3.464,1131 3.339,1132 5.306,1133 3.364,1134 3.152,1135 3.238,1136 3.035,1137 2.948,1138 4.982,1139 2.956,1140 3.114,1141 3.201,1142 2.973,1143 2.817,1144 4.674,1145 2.846,1146 2.7,1147 2.805,1148 2.492,1149 2.4,1150 4.137,1151 2.413,1152 2.615,1153 2.719,1154 2.445,1155 2.302,1156 3.807,1157 2.322,1158 2.217,1159 2.338,1160 1.997,1161 1.79,1162 3.462,1163 1.816,1164 1.978,1165 2.099,1166 1.739,1167 1.549,1168 3.136,1169 1.574,1170 0.303,1171 0.209,1172 0.433,1173 0.27,1174 0.205,1175 4.54,1176 0.299,1177 3.13,1178 0.051,1179 6.502,1180 0.678,1181 4.047,1182 0.199,1183 3.077,1184 4.491,1185 0.765,1186 10.172,1187 2.988,1188 2.015,1189 1.99,1190 2.083,1191 2.126,1192 1.214,1193 2.112,1194 1.456,1195 1.402,1196 1.605,1197 1.698,1198 0.668,1199 1.677,1200 1.094,1201 1.032,1202 1.354,1203 1.387,1204 0.331,1205 1.371,1206 1.012,1207 0.921,1208 1.288,1209 1.374,1210 0.089,1211 1.367,1212 0.665,1213 0.547,1214 1.04,1215 0.971,1217 1.003,1218 0.533,1219 0.438,1220 0.876,1221 0.907,1223 0.902,1224 0.126,1226 0.508,1227 0.51,1229 0.512,1232 0.473,1233 0.411,1235 0.439,1236 3.434,1238 4.745,1240 6.271,1242 7.901,1244 9.584,1250 11.112,1251 8.936,1252 -0.028,1262 15.381,1263 40.29,1264 86.529,1265 95.284,1266 104.039,1267 104.039,1268 104.039,1269 16.944,1270 5.749,1271 98.05,1272 98.05,1273 12,1274 11.795,1275 3.585,1276 2.7,1277 21.224,1278 30,1279 30,1280 0.389,1281 98.851,1282 157.33,1283 232.957,1284 1694,1286 10.129,1287 0.724,1288 0.531,1289 10.129,1290 7.435,1291 6.703,1292 0.447,1293 0.275,1294 4.059,1295 6.419,1296 3.98,1297 3.309,1298 6.703,1299 4.13,1300 6.065,1301 0.289,1302 0.142,1303 6.065,1304 2.977,1305 4.944,1306 0.183,1307 0.074,1308 4.944,1309 1.989,1310 4.142,1311 0.118,1312 0.038,1313 4.142,1314 1.316,1315 3.272,1316 0.074,1317 0.02,1318 3.272,1319 0.871,1320 0.562,1321 42.317,1322 0.322,1323 13.794,1324 1.201,1325 72,1326 222.064,1327 79.823,1328 219.809,1329 298.89,1330 204,1331 84,1332 219.839,1333 90.991,1334 225.188,1335 327.85,1336 211,1337 4.395}
{0 CHEMBL30938,1 1.547,2 10,3 2.467,4 6.087,5 103.403,6 6.97,7 0.414,8 4.041,9 4.175,10 3.555,11 3.508,12 5.101,13 3.497,14 4.611,15 4.797,16 3.935,17 3.94,18 5.593,19 3.902,20 4.876,21 5.091,22 4,23 4.156,24 5.739,25 4.076,26 4.985,27 5.217,28 3.972,29 4.211,30 5.873,31 4.082,32 5.062,33 5.334,34 3.914,35 4.169,36 5.862,37 4.043,38 4.979,39 5.226,40 3.895,41 4.043,42 5.843,43 3.951,44 4.876,45 5.124,46 3.569,47 3.937,48 5.738,49 3.804,50 4.8,51 5.107,52 3.331,53 3.801,54 5.539,55 3.59,56 0.037,57 0.779,58 11.829,59 4.373,60 12.933,61 6.275,62 0.285,63 1.245,64 22.399,65 7.839,66 32.434,67 11.101,68 0.279,69 1.563,70 29.435,71 9.858,72 28.615,73 14.753,74 0.406,75 1.663,76 32.94,77 12.079,78 43.186,79 17.915,80 0.357,81 1.659,82 36.992,83 11.549,84 49.899,85 17.995,86 0.499,87 1.48,88 34.537,89 10.151,90 41.826,91 15.181,92 0.54,93 1.305,94 31.436,95 9.097,96 52.423,97 13.597,98 0.235,99 1.166,100 28.84,101 9.709,102 33.402,103 15.078,104 21,105 42,106 0.262,107 0.594,108 0.734,109 0.783,110 0.783,111 0.783,112 3.305,113 0.929,114 -3.71,115 -3.68,116 -3.5,119 37.3,121 4,122 1,124 2,127 2,139 3,140 1,141 3,142 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 12,172 3,173 3,175 1,178 8,180 1,182 3,187 1,189 4,191 1,192 3,193 8,195 1,196 1,197 1,198 3,200 2,201 10,204 3,205 1,212 1,215 2,218 1,220 2,221 12,223 1,224 1,226 4,229 6,231 4,234 2,241 1,246 6,248 1,249 1,251 4,254 1,256 4,273 918,274 17.721,275 17.721,276 17.721,277 17.721,278 17.721,279 16.245,280 30.811,281 10.16,282 18.357,283 14.208,284 14.208,285 14.208,286 14.208,287 14.208,288 11.871,289 48.725,290 4.697,291 15.061,292 4.126,293 2.162,294 1.339,295 1.049,296 1.049,297 1.049,298 4.001,300 1,301 1,302 1,303 562,304 2.646,306 56.446,307 224.655,308 76.29,314 1.692,315 21.27,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 56.5,327 260,328 4.396,329 3.479,330 6.839,331 4.21,332 3.253,333 3.933,334 0.86,335 11.392,336 3.119,337 4.282,338 3.168,339 6.44,340 3.922,341 2.958,342 3.891,343 0.86,344 9.922,345 2.848,346 3.964,347 2.96,348 5.72,349 3.642,350 2.69,351 3.162,352 0.8,353 8.03,354 2.557,355 3.565,356 2.555,357 5.286,358 3.216,359 2.287,360 2.857,362 6.608,363 2.12,364 3.355,365 2.451,366 5.115,367 2.972,368 2.061,369 2.604,371 5.946,372 1.867,373 3.21,374 2.097,375 5,376 2.887,377 1.934,378 2.383,380 5.818,381 1.844,382 2.943,383 1.96,384 4.969,385 2.861,386 1.879,387 2.063,389 5.716,390 1.835,391 2.879,392 1.844,393 4.693,394 2.64,395 1.691,396 1.879,398 4.755,399 1.601,400 2.544,401 1.245,402 3.984,403 2.166,404 1.214,405 1.554,407 3.179,408 1.152,409 1.93,410 1.14,411 3.735,412 1.811,413 0.845,414 0.899,415 2.248,416 0.814,417 1.592,418 0.916,419 2.91,420 1.324,421 0.472,422 0.516,423 0.678,424 0.399,425 1.576,426 0.887,427 2.842,428 1.27,429 0.396,430 0.452,431 0.602,432 0.342,433 1.29,434 0.261,435 2.781,436 1.005,437 0.063,438 0.073,439 0.159,440 0.059,441 0.833,442 -0.298,443 2.746,444 0.648,445 -0.347,446 -0.347,448 -1.055,449 -0.345,450 0.792,451 -0.314,452 2.545,453 0.563,454 -0.404,455 -0.464,457 -1.123,458 -0.39,459 12.167,460 0.468,461 0.674,462 0.026,463 32.25,464 1.24,465 14.5,466 0.558,467 17.75,468 0.683,469 23.751,470 0.913,471 29.233,472 0.573,473 22.447,474 0.863,475 5.971,476 0.23,477 6.613,478 0.254,479 0.148,481 0.403,485 0.998,486 1.419,487 0.862,488 1.181,489 1.106,490 1.017,491 1.092,492 1.024,493 0.878,494 0.961,495 0.593,496 0.91,497 1.025,498 1.084,499 1.049,500 1.042,501 0.762,502 1.041,503 0.436,504 1.179,505 1.01,506 1.286,507 0.637,508 1.248,509 0.855,510 0.986,511 0.955,512 0.997,513 1.032,514 0.983,515 1.398,516 0.972,517 1.093,518 1.017,519 1.154,520 1.017,521 1.724,522 0.907,523 1.384,524 0.992,525 1.579,526 1.127,527 0.468,528 1.066,529 0.876,530 1.135,531 0.589,532 1.087,533 6,534 0.111,535 2.667,536 2.25,537 1.334,538 1.271,539 0.662,540 0.418,541 0.216,542 0.201,543 7570,544 19108,545 2.101,546 49,547 1,548 11,550 1,551 4,553 8,555 1.693,556 1.95,557 3.267,558 1.735,559 1,560 1,564 78.877,565 1.547,566 3.511,567 4.334,568 4.623,569 4.623,570 4.623,571 2.763,572 4.056,573 4.669,574 3.441,575 1118.46,576 8.102,577 13514.5,579 1,581 1,582 289.294,583 1.46,584 4.624,585 0.207,586 0.007,587 0.063,588 0.051,589 0.033,590 0.033,591 0.018,592 0.017,593 0.011,594 0.012,595 0.453,596 0.17,597 1,598 0.881,599 125.65,600 -0.082,601 -0.126,602 0.058,603 -0.035,604 -0.1,605 0.03,606 0.001,607 0.117,608 0.086,609 0.111,610 0.234,611 0.101,612 -0.158,613 0.026,614 -0.105,615 0.008,616 -0.048,617 -0.029,618 0.224,619 -0.131,620 -0.09,621 -0.216,622 0.113,623 -0.207,624 -0.055,625 -0.017,626 0.008,627 -0.012,628 -0.155,629 0.011,630 -0.12,631 -0.006,632 -0.079,633 -0.058,634 -0.156,635 -0.064,636 -0.378,637 0.049,638 -0.367,639 -0.034,640 -0.402,641 -0.18,642 0.115,643 -0.213,644 0.066,645 -0.138,646 0.137,647 -0.062,648 1.435,649 2.107,650 0.769,651 22.893,652 1,653 1.138,654 2.48,655 6.15,656 0.638,657 3.401,658 3.761,659 4.078,660 4.407,661 4.663,662 4.844,663 4.97,664 5.124,665 5.242,666 5.333,667 5.919,668 0.604,669 355.49,670 3.401,671 4.963,672 5.838,673 6.744,674 7.638,675 8.552,676 9.453,677 10.372,678 11.277,679 12.198,680 9.8,684 2,686 1,690 2,695 4,696 2,700 6,702 12,711 2,714 1,716 2,718 51,719 12,720 1,721 29,723 54,724 19,725 10,726 3,727 3,729 4,730 5,736 6,737 1,739 6,741 10,742 9,743 1,753 1,754 1,757 25,758 7,759 4,760 7,764 5,769 0.75,770 2,776 1,778 1,780 1,781 3,782 1,802 3,806 2,810 26,811 2,816 4,818 2,820 3,821 1,829 3.9,834 2,836 13.333,837 9.433,838 5.722,839 2.963,840 2.152,841 1.278,842 0.975,843 4.736,844 9.888,845 3.584,846 4.159,847 4.691,848 5.227,849 5.708,850 5.884,851 6.067,852 6.328,853 6.597,854 6.91,855 0.857,856 44,857 9.592,859 4.095,860 7.615,861 18.685,863 15.895,865 2.115,866 55,869 1,870 247.193,871 90.037,872 102.49,874 22,877 90.037,878 269.193,879 102.49,880 21.766,881 10.138,882 94.223,883 45.342,884 50.601,885 4.227,886 235.422,888 247.193,889 192.526,890 22,893 153.024,894 116.169,897 21.085,898 137.871,899 33.571,901 247.193,902 124.49,903 90.037,906 247.193,907 30.794,908 62.367,910 121.365,911 247.193,912 124.49,913 90.037,915 0.585,916 0.353,917 0.198,918 0.111,919 22,920 10,921 0.074,922 4,923 2,924 1.15,925 3.707,926 230.726,927 0.2,928 19,929 108.211,933 17.527,934 7.026,935 3.28,937 124.49,938 7.889,939 8.288,943 4.565,945 65.794,946 461.719,947 35,956 51,957 58.062,958 0.273,959 0.619,960 0.764,961 0.815,962 0.815,963 0.815,964 4.86,965 1.691,966 5.844,967 5.716,968 4.443,969 4.844,970 1.593,971 6.698,972 4.34,973 6.051,974 1.214,975 7.427,976 4.755,977 4.111,978 4.663,979 0.325,980 7.656,981 3.959,982 7.359,983 0.845,984 9.106,985 3.179,986 6.08,987 6.953,988 1.294,989 10.781,990 5.893,991 8.696,992 0.472,993 10.839,994 2.248,995 6.538,996 7.523,997 0.268,998 12.565,999 6.299,1000 10.061,1001 0.396,1002 12.609,1003 0.678,1004 7.997,1005 9.339,1006 1.061,1007 15.22,1008 7.73,1009 11.446,1010 0.063,1011 14.405,1012 0.602,1013 8.827,1014 10.265,1015 0.188,1016 17.368,1017 8.512,1018 12.846,1019 -0.347,1020 16.221,1021 0.159,1022 10.089,1023 11.874,1024 0.861,1025 19.861,1026 9.745,1027 3.253,1028 -0.404,1029 18.054,1030 -1.055,1031 11.096,1032 12.99,1033 0.125,1034 22.164,1035 10.705,1036 2.958,1037 11.392,1038 19.901,1039 -1.123,1040 12.283,1041 14.493,1042 0.69,1043 24.601,1044 11.86,1045 2.69,1046 9.922,1047 21.758,1048 3.933,1049 13.37,1050 15.713,1051 0.082,1052 26.97,1053 12.903,1054 2.287,1055 8.03,1056 23.625,1057 3.891,1058 14.533,1059 17.158,1060 0.544,1061 29.391,1062 14.029,1063 2.061,1064 6.608,1065 25.499,1066 3.162,1067 15.658,1068 18.438,1069 0.054,1070 31.788,1071 15.111,1072 1.934,1073 5.946,1074 27.379,1075 2.857,1076 16.814,1077 19.849,1078 0.424,1079 34.206,1080 16.229,1081 1.879,1082 5.818,1083 29.265,1084 2.604,1085 17.957,1086 21.164,1087 0.035,1088 36.616,1089 17.33,1090 7295,1091 11671,1092 19.304,1093 32.552,1094 43.674,1095 44.44,1096 45.659,1097 43.375,1098 43.49,1099 52.533,1100 5.04,1101 130.109,1102 41.115,1103 5.396,1104 5.479,1105 6.392,1106 5.279,1107 5.253,1108 6.933,1109 1.72,1110 18.4,1111 5.119,1112 13.283,1113 1.506,1114 1.532,1115 1.574,1116 1.496,1117 1.5,1118 1.811,1119 0.174,1120 4.487,1121 1.418,1122 4.064,1123 4.108,1124 3.994,1125 3.949,1126 5.29,1127 3.954,1128 3.879,1129 3.914,1130 3.838,1131 3.771,1132 4.978,1133 3.78,1134 3.759,1135 3.808,1136 3.682,1137 3.597,1138 4.925,1139 3.614,1140 3.303,1141 3.364,1142 3.145,1143 3.098,1144 4.58,1145 3.098,1146 3.283,1147 3.355,1148 3.144,1149 3.006,1150 4.479,1151 3.026,1152 3.181,1153 3.261,1154 2.981,1155 2.951,1156 4.377,1157 2.926,1158 3.093,1159 3.176,1160 2.89,1161 2.922,1162 4.112,1163 2.924,1164 3.037,1165 3.167,1166 2.87,1167 2.711,1168 3.749,1169 2.734,1170 0.152,1171 0.12,1172 0.236,1173 0.145,1174 0.112,1175 4.396,1176 0.136,1177 3.479,1178 0.03,1179 6.839,1180 0.393,1181 4.21,1182 0.108,1183 3.253,1184 3.933,1185 0.86,1186 11.392,1187 3.119,1188 1.933,1189 1.901,1190 2.054,1191 2.071,1192 1.439,1193 2.066,1194 1.834,1195 1.805,1196 1.933,1197 1.976,1198 1.255,1199 1.959,1200 1.604,1201 1.543,1202 1.86,1203 1.798,1204 1.066,1205 1.798,1206 1.582,1207 1.523,1208 1.72,1209 1.76,1210 0.794,1211 1.787,1212 1.227,1213 1.163,1214 1.59,1215 1.558,1216 0.584,1217 1.565,1218 1.165,1219 1.086,1220 1.539,1221 1.461,1222 0.561,1223 1.487,1224 1.028,1225 0.938,1226 1.289,1227 1.372,1228 0.496,1229 1.36,1230 0.89,1231 0.78,1232 1.215,1233 1.228,1234 0.429,1235 1.235,1236 4.078,1238 5.425,1239 2.398,1240 6.973,1241 4.844,1242 8.615,1243 7.002,1244 10.309,1246 3.368,1250 11.75,1252 4.424,1254 10.89,1256 1.303,1257 2.524,1262 30.805,1263 78.877,1264 179.052,1265 221.029,1266 235.784,1267 235.784,1268 235.784,1269 37.577,1270 7.735,1271 99.52,1272 99.52,1273 23,1274 12.709,1275 3.7,1276 2.807,1277 37.972,1278 93,1279 94,1280 0.208,1281 187.851,1282 322.76,1283 450.116,1284 23165,1286 18.259,1287 0.702,1288 0.584,1289 18.259,1290 15.183,1291 12.584,1292 0.434,1293 0.31,1294 8.821,1295 11.971,1296 8.591,1297 7.099,1298 12.584,1299 8.98,1300 11.481,1301 0.273,1302 0.169,1303 11.481,1304 7.1,1305 9.949,1306 0.172,1307 0.098,1308 9.949,1309 5.674,1310 8.728,1311 0.108,1312 0.056,1313 8.728,1314 4.527,1315 7.067,1316 0.067,1317 0.032,1318 7.067,1319 3.376,1320 0.32,1321 79.675,1322 0.228,1323 24.73,1324 0.592,1325 142,1326 379.031,1327 156.888,1328 362.772,1329 504.5,1330 342,1331 171,1332 380.584,1333 185.142,1334 386.169,1335 562.93,1336 361,1337 7.076}
{0 CHEMBL309743,1 1.581,2 10.621,3 4.075,4 16.606,5 117.851,6 7.406,7 0.581,8 4.058,9 4.196,10 3.607,11 3.566,12 5.248,13 3.548,14 4.549,15 4.734,16 3.949,17 3.94,18 5.778,19 3.899,20 4.781,21 4.993,22 4.061,23 4.105,24 5.834,25 4.054,26 4.899,27 5.098,28 4.143,29 4.19,30 6.043,31 4.129,32 5.053,33 5.276,34 4.131,35 4.257,36 6.171,37 4.181,38 5.127,39 5.379,40 4.034,41 4.207,42 6.242,43 4.107,44 4.978,45 5.233,46 3.978,47 4.014,48 6.255,49 3.931,50 4.737,51 4.965,52 3.74,53 3.786,54 5.974,55 3.733,56 0.151,57 0.82,58 10.942,59 4.292,60 14.772,61 6.032,62 0.301,63 1.243,64 19.431,65 7.452,66 52.124,67 10.479,68 0.243,69 1.512,70 25.33,71 8.738,72 30.468,73 12.816,74 0.349,75 1.663,76 28.379,77 10.091,78 45.342,79 14.498,80 0.386,81 1.836,82 34.452,83 10.961,84 66.556,85 16.128,86 0.606,87 1.776,88 39.738,89 12.434,90 98.103,91 17.964,92 0.754,93 1.475,94 34.864,95 10.628,96 118.67,97 15.537,98 0.471,99 1.166,100 26.97,101 7.749,102 80.585,103 10.81,104 46,105 43,106 0.262,107 0.601,108 0.753,109 0.847,110 0.856,111 0.856,112 3.408,113 0.913,114 -5.28,115 -5.16,116 -4.83,119 39.6,120 2,121 1,125 2,139 8,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 11,169 2,170 7,172 3,173 3,175 1,178 11,180 1,181 1,182 11,187 1,189 7,191 1,192 2,193 14,195 1,196 1,197 1,198 5,200 2,201 6,204 5,205 1,207 11,212 4,215 11,218 4,220 2,221 7,223 1,224 1,226 2,229 11,231 2,233 6,234 10,236 3,237 3,239 1,241 10,243 1,246 8,248 1,249 1,254 6,260 6,262 3,263 3,265 2,268 5,270 2,273 1323,274 19.447,275 19.447,276 19.447,277 19.447,278 19.447,279 16.926,280 24.68,281 11.406,282 19.812,283 15.165,284 15.165,285 15.165,286 15.165,287 15.165,288 11.388,289 33.231,290 5.213,291 15.728,292 4.147,293 2.095,294 1.175,295 0.609,296 0.557,297 0.557,298 4.086,301 1,302 1,303 645,304 3.606,307 312.286,314 1.798,315 31.553,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 63,327 308,328 4.571,329 3.816,330 6.792,331 4.181,332 3.206,333 4.306,334 2.612,335 11.157,336 3.128,337 4.379,338 3.238,339 6.617,340 3.984,341 3.028,342 4.042,343 0.916,344 10.519,345 2.895,346 3.93,347 3.137,348 5.675,349 3.554,350 2.574,351 3.456,352 0.172,353 7.622,354 2.527,355 3.71,356 2.631,357 5.325,358 3.249,359 2.305,360 3.177,362 6.735,363 2.173,364 3.623,365 2.404,366 5.235,367 3.164,368 2.209,369 2.947,371 6.317,372 2.103,373 3.304,374 2.229,375 5.038,376 2.936,377 1.987,378 2.552,380 5.703,381 1.88,382 3.205,383 2.037,384 4.774,385 2.761,386 1.809,387 2.436,389 5.009,390 1.715,391 2.923,392 1.698,393 4.279,394 2.488,395 1.497,396 2.089,398 3.676,399 1.482,400 2.658,401 1.493,402 3.618,403 2.263,404 1.288,405 1.65,407 2.929,408 1.253,409 2.558,410 1.24,411 3.566,412 2,413 1,414 1.566,415 2.423,416 1,417 2.5,418 1,419 3.327,420 2,421 1,422 1.5,423 2.136,424 1,425 1.724,426 1,427 3.247,428 1.54,429 0.558,430 0.627,431 1.052,432 0.547,433 1.434,434 0.675,435 2.77,436 1.314,437 0.342,438 0.365,439 0.529,440 0.331,441 1.316,442 0.496,443 2.738,444 1.011,445 0.06,446 0.072,448 0.131,449 0.057,450 1.014,451 0.191,452 2.582,453 0.668,454 -0.301,455 -0.371,457 -0.721,458 -0.291,459 13.567,460 0.468,461 0.733,462 0.025,463 41,464 1.414,465 22.5,466 0.776,467 18.5,468 0.638,469 22.952,470 0.791,471 31.433,472 0.593,473 33.281,474 1.148,475 8.002,476 0.276,477 5.937,478 0.205,479 0.182,481 0.354,485 0.601,486 1.241,487 0.809,488 1.009,489 0.693,490 0.945,491 0.489,492 1.03,493 0.748,494 0.983,495 0.337,496 0.918,497 0.788,498 1.101,499 0.852,500 0.97,501 0.552,502 0.916,503 0.794,504 1.246,505 0.968,506 1.192,507 0.758,508 1.123,509 1.122,510 1.15,511 1.133,512 1.143,513 1.025,514 1.127,515 1.247,516 0.926,517 1.066,518 1.006,519 1.401,520 1.016,521 0.992,522 0.842,523 0.875,524 0.928,525 1.187,526 0.904,527 1.858,528 0.994,529 1.142,530 0.971,531 2.053,532 0.964,533 6,534 0.112,535 3.111,536 2.75,537 2.009,538 1.347,539 0.953,540 0.592,541 0.365,542 0.252,543 9485,544 26424,545 1.993,546 45.3,547 3,548 12,551 4,552 2,553 3,555 1.725,556 1.832,557 3.358,558 1.663,560 1,564 83.792,565 1.581,566 3.633,567 4.553,568 5.119,569 5.171,570 5.171,571 2.918,572 4.513,573 4.828,574 3.524,575 1430.71,576 8.439,577 18920.8,579 1,581 1,582 303.58,583 1.519,584 4.768,585 0.194,586 0.006,587 0.072,588 0.057,589 0.04,590 0.028,591 0.023,592 0.015,593 0.012,594 0.011,595 0.457,597 1,598 0.976,599 145.581,600 0.131,601 0.011,602 0.033,603 0.063,604 -0.078,605 0.035,606 0.264,607 0.1,608 0.145,609 0.068,610 0.286,611 0.081,612 -0.042,613 -0.004,614 0.064,615 0.046,616 0.011,617 0.073,618 0.073,619 -0.164,620 -0.048,621 -0.168,622 0.041,623 -0.138,624 -0.172,625 -0.101,626 -0.18,627 -0.162,628 -0.111,629 -0.162,630 -0.101,631 -0.001,632 -0.054,633 -0.033,634 -0.153,635 -0.037,636 0.277,637 0.055,638 0.164,639 0.031,640 0.199,641 0.067,642 -0.261,643 -0.074,644 -0.089,645 -0.023,646 -0.214,647 -0.03,648 2.369,649 4.868,650 0.621,651 26.737,652 1.004,653 1.135,654 4.047,655 16.379,656 0.657,657 3.466,658 3.784,659 4.06,660 4.344,661 4.554,662 4.595,663 4.71,664 4.787,665 4.852,666 4.812,667 6.304,668 0.628,669 392.51,670 3.466,671 5.004,672 5.855,673 6.742,674 7.614,675 8.507,676 9.388,677 10.284,678 11.169,679 12.067,680 11.3,684 2,686 1,690 2,691 1,695 8,696 2,700 8,702 18,711 2,713 1,714 1,718 53,719 20,720 2,721 31,723 55,724 21,725 16,726 4,727 8,729 3,730 3,734 2,739 1,741 16,742 5,744 2,746 1,748 2,754 1,757 24,758 7,759 4,760 8,764 6,769 1,770 2,776 1,781 3,802 3,806 2,810 29,811 2,816 3,821 1,829 3.8,835 2,836 15.833,837 9.967,838 6.583,839 3.289,840 3.153,841 1.435,842 0.974,843 6.422,844 10.404,845 3.761,846 4.376,847 4.936,848 5.524,849 6.064,850 6.301,851 6.701,852 7.037,853 7.416,854 7.669,855 1,856 48,857 10.696,859 4.491,860 7.908,861 20.042,863 15.954,865 2.408,866 69.833,868 1,869 1,870 235.422,871 122.26,872 108.16,874 50.747,877 122.26,878 286.169,879 108.16,880 23.32,881 6.746,882 141.604,883 33.571,884 20.951,885 4.227,886 235.422,887 50.747,888 235.422,889 230.42,890 50.747,893 200.109,894 35.313,895 50.747,897 29.052,898 162.127,899 39.241,901 235.422,902 158.907,903 122.26,906 235.422,907 28.8,908 102.255,910 150.112,911 235.422,912 158.907,913 122.26,915 0.575,916 0.346,917 0.199,918 0.111,919 19,920 10,921 0.127,922 7,924 1,925 3.839,926 255.322,928 18,929 134.881,933 20.714,934 8.991,935 4.53,937 153.237,938 14.976,939 8.266,943 3.804,945 65.794,946 516.589,947 42,949 -0.369,951 23.736,956 53.218,957 60.145,958 0.276,959 0.634,960 0.795,961 0.894,962 0.903,963 0.903,964 4.987,965 1.497,966 5.849,967 5.009,968 4.466,969 5.063,970 2.618,971 6.683,972 4.397,973 6.208,974 1.288,975 7.425,976 3.676,977 4.111,978 4.934,979 2.396,980 7.659,981 3.993,982 7.526,983 1,984 9.102,985 2.929,986 6.075,987 7.28,988 4.169,989 10.776,990 5.938,991 8.879,992 1,993 10.84,994 2.423,995 6.524,996 7.935,997 4.512,998 12.586,999 6.343,1000 10.263,1001 0.558,1002 12.617,1003 2.136,1004 7.979,1005 9.779,1006 5.95,1007 15.234,1008 7.78,1009 11.668,1010 0.342,1011 14.422,1012 1.052,1013 8.8,1014 10.809,1015 6.557,1016 17.391,1017 8.565,1018 13.091,1019 0.06,1020 16.247,1021 0.529,1022 10.058,1023 12.44,1024 7.794,1025 19.876,1026 9.801,1027 3.206,1028 -0.301,1029 18.088,1030 0.131,1031 11.055,1032 13.663,1033 8.548,1034 22.175,1035 10.765,1036 3.028,1037 11.157,1038 19.942,1039 -0.721,1040 12.236,1041 15.194,1042 9.67,1043 24.601,1044 11.923,1045 2.574,1046 10.519,1047 21.806,1048 4.306,1049 13.313,1050 16.519,1051 10.509,1052 26.956,1053 12.97,1054 2.305,1055 7.622,1056 23.678,1057 4.042,1058 14.467,1059 18.003,1060 11.563,1061 29.362,1062 14.099,1063 2.209,1064 6.735,1065 25.556,1066 3.456,1067 15.582,1068 19.383,1069 12.452,1070 31.741,1071 15.185,1072 1.987,1073 6.317,1074 27.439,1075 3.177,1076 16.728,1077 20.844,1078 13.468,1079 34.139,1080 16.306,1081 1.809,1082 5.703,1083 29.327,1084 2.947,1085 17.86,1086 22.254,1087 14.386,1088 36.528,1089 17.411,1090 9411,1091 15887,1092 19.997,1093 34.796,1094 45.811,1095 47.178,1096 48.404,1097 45.791,1098 45.726,1099 61.57,1100 7.402,1101 131.874,1102 44.182,1103 5.405,1104 5.816,1105 6.594,1106 5.251,1107 5.206,1108 7.306,1109 4.612,1110 18.22,1111 5.128,1112 16.945,1113 1.478,1114 1.522,1115 1.561,1116 1.477,1117 1.475,1118 1.986,1119 0.239,1120 4.254,1121 1.425,1122 4.069,1123 4.101,1124 4.037,1125 3.962,1126 7.815,1127 3.972,1128 3.904,1129 3.941,1130 3.84,1131 3.837,1132 6.999,1133 3.832,1134 3.825,1135 3.87,1136 3.791,1137 3.645,1138 5.285,1139 3.67,1140 3.542,1141 3.611,1142 3.461,1143 3.328,1144 4.98,1145 3.322,1146 3.438,1147 3.492,1148 3.328,1149 3.191,1150 4.766,1151 3.188,1152 3.387,1153 3.464,1154 3.204,1155 3.031,1156 4.662,1157 3.124,1158 3.139,1159 3.23,1160 2.964,1161 2.979,1162 4.409,1163 2.96,1164 3.069,1165 3.182,1166 2.915,1167 2.813,1168 4.133,1169 2.831,1170 0.147,1171 0.123,1172 0.219,1173 0.135,1174 0.103,1175 4.571,1176 0.139,1177 3.816,1178 0.084,1179 6.792,1180 0.36,1181 4.181,1182 0.101,1183 3.206,1184 4.306,1185 2.612,1186 11.157,1187 3.128,1188 1.99,1189 1.964,1190 2.075,1191 2.129,1192 1.249,1193 2.103,1194 1.903,1195 1.873,1196 2.019,1197 2.002,1198 1.158,1199 2.009,1200 1.738,1201 1.693,1202 1.888,1203 1.948,1204 1.041,1205 1.915,1206 1.505,1207 1.426,1208 1.795,1209 1.753,1210 0.949,1211 1.756,1212 1.382,1213 1.298,1214 1.621,1215 1.641,1216 0.655,1217 1.658,1218 1.186,1219 1.152,1220 1.447,1221 1.598,1222 0.575,1223 1.527,1224 1.152,1225 1.077,1226 1.285,1227 1.381,1228 0.218,1229 1.402,1230 0.981,1231 0.893,1232 1.256,1233 1.342,1234 0.213,1235 1.341,1236 4.143,1238 5.46,1240 6.982,1242 8.602,1244 10.274,1246 3.897,1250 11.769,1252 1.782,1257 1.973,1262 33.299,1263 83.792,1264 192.56,1265 241.315,1266 271.315,1267 274.07,1268 274.07,1269 62.891,1270 7.251,1271 126.88,1272 126.88,1273 18,1274 12.593,1275 4.392,1276 3.585,1277 52.186,1278 109,1279 113,1280 0.237,1281 209.514,1282 359.26,1283 502.973,1284 12377,1286 20.966,1287 0.723,1288 0.569,1289 20.966,1290 16.5,1291 13.939,1292 0.45,1293 0.304,1294 9.315,1295 13.386,1296 9.057,1297 7.589,1298 13.939,1299 9.437,1300 12.352,1301 0.287,1302 0.154,1303 12.352,1304 6.603,1305 10.092,1306 0.177,1307 0.084,1308 10.092,1309 4.764,1310 8.774,1311 0.115,1312 0.044,1313 8.774,1314 3.38,1315 7.028,1316 0.075,1317 0.024,1318 7.028,1319 2.282,1320 0.364,1321 87.502,1322 0.224,1323 27.176,1324 0.672,1325 148,1326 444.676,1327 162.974,1328 437.472,1329 594.78,1330 404,1331 174,1332 450.506,1333 188.673,1334 452.77,1335 656.76,1336 425,1337 7.699}
{0 CHEMBL309784,1 1.739,2 10.091,3 1.145,4 1.312,5 78.053,6 8.715,7 0.708,8 3.676,9 3.794,10 3.358,11 3.162,12 4.983,13 3.204,14 4.114,15 4.254,16 3.71,17 3.486,18 5.494,19 3.515,20 4.273,21 4.447,22 3.744,23 3.531,24 5.606,25 3.557,26 4.271,27 4.452,28 3.593,29 3.388,30 5.658,31 3.41,32 4.118,33 4.3,34 3.397,35 3.264,36 5.469,37 3.273,38 4.08,39 4.303,40 3.217,41 3.182,42 5.349,43 3.143,44 3.888,45 4.114,46 3.132,47 3.085,48 5.003,49 3.056,50 3.751,51 3.941,52 3.168,53 3,54 5.246,55 3,56 0.132,57 0.567,58 5.076,59 2.343,60 15.918,61 2.598,62 0.369,63 0.825,64 9.344,65 4.018,66 31.895,67 4.666,68 0.381,69 0.912,70 11.867,71 4.291,72 30.759,73 5.216,74 0.53,75 0.798,76 13.768,77 4.517,78 58.335,79 5.136,80 0.403,81 0.698,82 11.164,83 3.59,84 44.77,85 4.103,86 0.483,87 0.628,88 12.608,89 3.673,90 51.444,91 4.828,92 0.249,93 0.547,94 10.565,95 3.585,96 25.499,97 4.859,98 0.309,99 0.513,100 7.677,101 2.492,102 39.191,103 3.331,104 10,105 33,106 0.316,107 0.672,108 0.772,109 0.834,110 0.849,111 0.849,112 3.146,113 0.8,114 -3.38,115 -3.36,116 -3.21,119 41.2,125 1,139 5,140 1,142 1,143 2,144 1,146 1,147 1,153 1,157 2,158 2,159 2,166 6,169 3,170 2,172 3,173 3,178 6,181 4,182 4,184 1,185 1,189 3,192 2,193 4,195 3,196 3,197 1,200 2,205 1,206 1,207 3,209 1,210 1,220 3,221 3,223 1,224 1,234 4,245 2,246 5,248 2,249 2,251 1,256 1,260 5,265 2,270 2,273 616,274 14.792,275 14.792,276 14.792,277 14.792,278 14.792,279 12.613,280 12.82,281 8.795,282 15.178,283 11.849,284 11.849,285 11.849,286 11.849,287 11.849,288 8.571,289 14.402,290 4.203,291 12.472,292 3.348,293 1.386,294 0.834,295 0.493,296 0.412,297 0.412,298 3.828,301 1,302 1,303 477,304 2.828,307 187.699,311 96.927,314 1.463,315 27.648,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 49,327 222,328 4.541,329 3.664,330 6.502,331 4.021,332 3.079,333 4.491,334 1.727,335 10.175,336 2.898,337 4.143,338 3.129,339 6.02,340 3.779,341 2.788,342 3.671,343 0.636,344 8.546,345 2.753,346 3.768,347 2.671,348 5.311,349 3.345,350 2.403,351 3.233,353 6.879,354 2.262,355 3.43,356 2.213,357 5.062,358 2.972,359 2.048,360 2.811,362 5.803,363 1.886,364 3.387,365 2.173,366 4.971,367 2.891,368 1.971,369 2.711,371 5.757,372 1.813,373 3.256,374 2.05,375 4.286,376 2.772,377 1.785,378 2.524,380 4.181,381 1.747,382 2.602,383 1.445,384 3.71,385 2.127,386 1.166,387 1.601,389 2.682,390 1.109,391 2.5,392 1.323,393 3.502,394 2,395 1.006,396 1.5,398 2.565,399 1,400 2.453,401 1.057,402 3.247,403 1.916,404 1,405 1.431,407 2.136,408 0.915,409 1.852,410 1,411 3.057,412 1.472,413 0.525,414 0.658,415 1.229,416 0.489,417 1.335,418 0.352,419 2.699,420 0.877,421 -0.033,422 -0.044,423 -0.082,424 -0.03,425 0.97,426 -0.084,427 2.531,428 0.468,429 -0.444,430 -0.574,431 -1.149,432 -0.403,433 0.751,434 -0.299,435 2.351,436 0.281,437 -0.717,438 -0.883,439 -1.601,440 -0.677,441 0.618,442 -0.562,443 2.045,444 0.192,445 -0.782,446 -1.088,448 -1.926,449 -0.753,450 0.5,451 -0.722,452 1.604,453 0.111,454 -0.816,455 -1.146,457 -2.347,458 -0.79,459 10.067,460 0.458,461 0.541,462 0.025,463 33.75,464 1.534,465 18.5,466 0.841,467 15.25,468 0.693,469 11.998,470 0.545,471 22.933,472 0.675,473 23.457,474 1.066,475 6.895,476 0.313,477 3.736,478 0.17,479 0.113,481 0.348,485 0.949,486 1.302,487 0.697,488 0.978,489 0.903,490 0.793,491 0.733,492 1.013,493 0.714,494 0.981,495 0.559,496 0.882,497 0.927,498 1.074,499 0.896,500 1.087,501 0.818,502 0.994,503 1.435,504 0.895,505 1.106,506 1.03,507 1.469,508 1.024,509 1.459,510 1.084,511 1.263,512 1.14,513 1.434,514 1.152,515 1.049,516 0.714,517 1.158,518 0.845,519 1.191,520 0.993,521 0.881,522 1.022,523 0.752,524 0.953,525 0.734,526 0.855,527 0.649,528 0.935,529 0.886,530 0.891,531 0.766,532 0.928,533 4.5,534 0.07,535 2.444,536 1.375,537 1.289,538 0.528,539 0.282,540 0.227,541 0.201,542 0.132,543 5272,544 17141,545 2.07,546 35.3,548 7,550 1,551 4,555 1.64,556 1.941,557 3.304,558 1.959,560 1,562 1,564 59.141,565 1.739,566 3.702,567 4.253,568 4.595,569 4.676,570 4.676,571 2.738,572 4.187,573 4.434,574 3.433,575 793.09,576 7.589,577 8849.12,578 1,579 1,582 172.974,583 1.395,584 4.392,585 0.188,586 0.006,587 0.074,588 0.042,589 0.048,590 0.024,591 0.016,592 0.013,593 0.011,594 0.009,595 0.429,596 0.33,597 1,598 0.595,599 102.204,600 -0.195,601 -0.136,603 0.002,604 -0.235,605 0.055,606 0.208,607 0.073,608 0.095,609 -0.002,610 0.143,611 0.002,612 0.011,613 -0.016,614 -0.017,615 -0.153,616 -0.012,617 -0.101,618 -0.111,619 0.043,620 -0.103,621 -0.081,622 -0.099,623 -0.106,624 -0.263,625 -0.111,626 -0.303,627 -0.203,628 -0.189,629 -0.249,630 0.056,631 0.194,632 -0.096,633 0.119,634 -0.079,635 0.006,636 -0.009,637 -0.154,638 0.302,639 0.1,640 0.046,641 0.246,642 0.296,643 0.086,644 0.045,645 0.054,646 0.342,647 0.003,648 2.107,649 4.857,650 0.727,651 17.455,652 1.027,653 1.137,654 2.147,655 4.609,656 0.683,657 3.219,658 3.526,659 3.761,660 3.989,661 4.205,662 4.159,663 4.205,664 4.248,665 4.344,666 4.29,667 5.878,668 0.681,669 296.32,670 3.219,671 4.745,672 5.58,673 6.444,674 7.295,675 8.163,676 9.02,677 9.889,678 10.75,679 11.621,680 17.6,684 2,690 4,694 2,695 6,696 4,700 4,702 17,710 1,711 2,718 34,719 18,720 1,721 24,723 36,724 14,725 12,726 1,727 5,728 1,729 3,730 4,741 13,742 1,744 1,748 1,751 1,753 1,754 1,757 12,758 8,759 4,760 8,764 6,769 0.667,770 2,774 1,776 1,781 3,785 1,802 2,810 22,811 2,816 1,818 1,829 5.9,832 1,834 1,836 11.333,837 6.05,838 4.833,839 1.757,840 3.217,841 1.471,842 1.002,843 3.811,844 10.042,845 3.541,846 4.174,847 4.773,848 5.359,849 5.94,850 6.128,851 6.454,852 6.747,853 7.117,854 7.043,855 0.857,856 33,857 8.049,859 3.417,860 8.03,861 14.703,863 11.532,865 2.53,866 55.667,870 94.169,871 82.241,872 132.936,874 36.145,877 82.241,878 130.314,879 132.936,881 4.592,882 113.176,883 111.249,884 29.849,885 4.227,886 82.398,888 94.169,889 215.178,890 36.145,893 95.884,894 36.145,897 20.44,898 125.88,899 67.142,901 94.169,902 169.081,903 82.241,906 94.169,907 25.812,908 56.429,910 169.081,911 94.169,912 169.081,913 82.241,915 0.58,916 0.335,917 0.179,918 0.098,919 16,920 7,921 0.111,922 4,923 1,924 1.125,925 3.489,926 166.959,927 0.125,928 16,929 94.107,933 14.17,934 5.916,935 3.127,936 0.616,937 169.081,938 10.127,939 16.07,943 1.067,945 65.794,946 345.491,947 33.5,951 11.857,954 -0.441,956 34.916,957 38.654,958 0.342,959 0.728,960 0.836,961 0.903,962 0.919,963 0.919,964 4.747,965 1.006,966 5.557,967 2.682,968 4.205,969 4.86,970 2.051,971 6.333,972 4.104,973 5.967,974 1,975 7.096,976 2.565,977 3.761,978 4.677,980 7.154,981 3.628,982 7.275,983 0.525,984 8.733,985 2.136,986 5.765,987 7.115,988 2.951,989 10.235,990 5.57,991 8.618,992 -0.033,993 10.428,994 1.229,995 6.111,996 7.746,998 11.877,999 5.885,1000 9.991,1001 -0.444,1002 12.161,1003 -0.082,1004 7.597,1005 9.664,1006 3.994,1007 14.473,1008 7.316,1009 11.387,1010 -0.717,1011 13.919,1012 -1.149,1013 8.326,1014 10.71,1016 16.476,1017 8.008,1018 12.801,1019 -0.782,1020 15.696,1021 -1.601,1022 9.59,1023 12.395,1024 5.073,1025 18.893,1026 9.221,1027 3.079,1028 -0.816,1029 17.487,1030 -1.926,1031 10.512,1032 13.664,1034 21.061,1035 10.098,1036 2.788,1037 10.175,1038 19.291,1039 -2.347,1040 11.68,1041 15.242,1042 6.161,1043 23.409,1044 11.215,1045 2.403,1046 8.546,1047 21.104,1048 4.491,1049 12.696,1050 16.626,1052 25.653,1053 12.182,1054 2.048,1055 6.879,1056 22.925,1057 3.671,1058 13.825,1059 18.156,1060 7.253,1061 27.977,1062 13.258,1063 1.971,1064 5.803,1065 24.752,1066 3.233,1067 14.888,1068 19.598,1070 30.256,1071 14.267,1072 1.785,1073 5.757,1074 26.585,1075 2.811,1076 16.002,1077 21.108,1078 8.346,1079 32.572,1080 15.326,1081 1.166,1082 4.181,1083 28.423,1084 2.711,1085 17.089,1086 22.579,1088 34.869,1089 16.355,1090 5096,1091 9327,1092 16.008,1093 23.227,1094 35.947,1095 37.022,1096 36.338,1097 35.589,1098 35.542,1099 49.261,1100 4.727,1101 99.905,1102 33.744,1103 5.407,1104 5.664,1105 6.304,1106 5.102,1107 5.079,1108 7.491,1109 3.455,1110 17.069,1111 4.898,1112 10.027,1113 1.498,1114 1.543,1115 1.514,1116 1.483,1117 1.481,1118 2.053,1119 0.197,1120 4.163,1121 1.406,1122 4.03,1123 4.08,1124 4.014,1125 3.868,1126 7.433,1127 3.893,1128 3.906,1129 3.93,1130 3.849,1131 3.822,1132 5.342,1133 3.83,1134 3.535,1135 3.588,1136 3.471,1137 3.325,1138 4.99,1139 3.354,1140 3.271,1141 3.291,1142 3.224,1143 3.021,1144 4.874,1145 3.064,1146 3.1,1147 3.22,1148 2.993,1149 2.781,1150 4.733,1151 2.822,1152 2.952,1153 3.02,1154 2.837,1155 2.735,1156 4.394,1157 2.743,1158 2.854,1159 2.925,1160 2.687,1161 2.721,1162 4.114,1163 2.715,1164 2.606,1165 2.717,1166 2.449,1167 2.341,1168 4.023,1169 2.364,1170 0.189,1171 0.153,1172 0.271,1173 0.168,1174 0.128,1175 4.541,1176 0.187,1177 3.664,1178 0.072,1179 6.502,1180 0.424,1181 4.021,1182 0.121,1183 3.079,1184 4.491,1185 1.727,1186 10.175,1187 2.898,1188 1.917,1189 1.884,1190 2.016,1191 2.109,1192 1.072,1193 2.068,1194 1.89,1195 1.857,1196 1.948,1197 1.985,1198 0.985,1199 1.992,1200 1.443,1201 1.397,1202 1.596,1203 1.691,1204 0.682,1205 1.665,1206 1.127,1207 1.108,1208 1.288,1209 1.429,1210 0.24,1211 1.383,1212 0.982,1213 0.876,1214 1.257,1215 1.375,1216 0.218,1217 1.35,1218 0.892,1219 0.821,1220 1.181,1221 1.152,1222 0.136,1223 1.15,1224 0.886,1225 0.815,1226 1.147,1227 1.062,1229 1.107,1230 0.55,1231 0.459,1232 0.907,1233 0.895,1235 0.908,1236 3.892,1238 5.198,1240 6.706,1242 8.305,1244 9.954,1250 11.218,1252 -0.027,1254 5.179,1262 23.138,1263 59.141,1264 125.854,1265 144.609,1266 156.219,1267 158.974,1268 158.974,1269 32.666,1270 6.825,1271 129.9,1272 129.9,1273 18,1274 12.165,1275 4.248,1276 3.392,1277 34.684,1278 78,1279 70,1280 0.219,1281 145.295,1282 240.8,1283 346.279,1284 7984,1286 15.527,1287 0.706,1288 0.52,1289 15.527,1290 11.431,1291 10.631,1292 0.443,1293 0.267,1294 6.273,1295 10.114,1296 6.178,1297 5.129,1298 10.631,1299 6.401,1300 9.61,1301 0.291,1302 0.135,1303 9.61,1304 4.443,1305 7.852,1306 0.187,1307 0.068,1308 7.852,1309 2.862,1310 6.471,1311 0.122,1312 0.035,1313 6.471,1314 1.849,1315 5.188,1316 0.079,1317 0.018,1318 5.188,1319 1.181,1320 0.346,1321 67.528,1322 0.25,1323 21.92,1324 0.589,1325 114,1326 400.676,1327 130.081,1328 386.757,1329 525.26,1330 360,1331 132,1332 388.697,1333 147.833,1334 391.882,1335 572.25,1336 367,1337 5.155}
{0 CHEMBL309792,1 1.694,2 11.714,3 2.345,4 5.498,5 103.991,6 8.009,7 0.567,8 3.995,9 4.097,10 3.604,11 3.43,12 5.246,13 3.466,14 4.48,15 4.626,16 3.942,17 3.763,18 5.725,19 3.793,20 4.57,21 4.687,22 4.099,23 3.911,24 5.843,25 3.942,26 4.758,27 4.896,28 4.1,29 3.943,30 6.074,31 3.954,32 4.829,33 5.001,34 3.92,35 3.912,36 6.046,37 3.883,38 4.8,39 5.016,40 3.686,41 3.804,42 5.974,43 3.722,44 4.631,45 4.886,46 3.541,47 3.647,48 5.636,49 3.567,50 4.416,51 4.618,52 3.574,53 3.536,54 5.679,55 3.505,56 0.165,57 0.688,58 8.929,59 4.022,60 15.379,61 4.728,62 0.638,63 0.993,64 18.212,65 6.587,66 49.085,67 7.705,68 0.502,69 1.159,70 17.218,71 6.971,72 30.38,73 8.4,74 0.836,75 1.249,76 23.21,77 8.438,78 66.427,79 10.106,80 0.96,81 1.252,82 27.235,83 8.718,84 73.719,85 10.755,86 1.078,87 1.14,88 28.96,89 8.752,90 94.844,91 11.578,92 0.647,93 0.949,94 26.03,95 8.152,96 65.112,97 11.335,98 0.643,99 0.822,100 19.106,101 6.104,102 72.16,103 7.986,104 46,105 42,106 0.287,107 0.627,108 0.737,109 0.809,110 0.825,111 0.876,112 3.374,113 0.826,114 -3.19,115 -3.19,116 -3.06,119 39.6,124 3,125 1,139 5,140 3,141 3,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 6,169 2,170 8,172 3,173 3,175 1,178 5,180 1,181 2,182 11,187 1,189 2,191 1,192 3,193 11,195 1,196 1,197 1,198 4,200 2,201 1,204 4,205 1,206 2,207 3,212 3,215 3,218 3,220 4,221 3,223 1,224 1,226 1,229 5,231 1,234 3,241 4,245 2,246 7,248 2,249 2,251 1,254 2,256 1,260 6,265 1,270 1,273 1146,274 18.903,275 18.903,276 18.903,277 18.903,278 18.903,279 16.722,280 22.972,281 10.843,282 19.68,283 14.563,284 14.563,285 14.563,286 14.563,287 14.563,288 11.015,289 26.328,290 4.807,291 15.51,292 3.891,293 1.891,294 1.243,295 0.818,296 0.719,297 0.422,298 4.053,300 1,301 1,302 1,303 689,304 3.536,307 256.586,311 134.527,314 1.612,315 36.702,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 63,327 328,328 4.542,329 3.719,330 6.779,331 4.131,332 3.173,333 4.491,334 1.727,335 11.096,336 3.038,337 4.524,338 3.31,339 6.502,340 4.047,341 3.078,342 4.217,343 0.86,344 10.175,345 2.987,346 3.894,347 3.128,348 5.997,349 3.536,350 2.583,351 3.269,352 0.86,353 8.358,354 2.442,355 3.756,356 2.676,357 5.321,358 3.354,359 2.389,360 3.199,361 0.86,362 6.892,363 2.304,364 3.429,365 2.573,366 5.075,367 2.978,368 2.05,369 2.811,370 0.636,371 5.81,372 1.899,373 3.379,374 2.195,375 5.061,376 2.919,377 1.981,378 2.7,380 5.778,381 1.858,382 3.246,383 2.079,384 4.966,385 2.849,386 1.917,387 2.447,389 5.56,390 1.763,391 2.884,392 2.05,393 4.289,394 2.427,395 1.483,396 1.971,398 3.812,399 1.384,400 2.454,401 1.647,402 3.71,403 1.983,404 1.032,405 1.433,407 2.565,408 0.98,409 2.101,410 1.445,411 3.577,412 1.862,413 1.006,414 1.082,415 2.016,416 0.851,417 1.884,418 1.057,419 3.17,420 1.577,421 0.666,422 0.771,423 1.445,424 0.597,425 1.672,426 1.038,427 2.878,428 1.317,429 0.397,430 0.477,431 0.693,432 0.358,433 1.385,434 0.913,435 2.683,436 1.13,437 0.289,438 0.311,439 0.363,440 0.241,441 1.334,442 0.366,443 2.525,444 0.901,445 -0.033,446 -0.042,448 -0.078,449 -0.03,450 0.97,451 0.056,452 2.492,453 0.483,454 -0.441,455 -0.565,457 -0.918,458 -0.405,459 12.767,460 0.456,461 0.695,462 0.025,463 38.75,464 1.384,465 20,466 0.714,467 18.75,468 0.67,469 20.315,470 0.726,471 31.033,472 0.647,473 31.971,474 1.142,475 8.232,476 0.294,477 5.245,478 0.187,479 0.206,481 0.392,485 0.942,486 1.321,487 0.748,488 1.171,489 0.889,490 0.938,491 1.176,492 0.716,493 0.758,494 0.69,495 0.719,496 0.641,497 0.91,498 1.303,499 0.819,500 1.189,501 0.815,502 1.004,503 1.119,504 1.21,505 1.042,506 1.251,507 1.169,508 1.155,509 1.363,510 1.112,511 1.29,512 1.165,513 1.249,514 1.205,515 1.127,516 0.812,517 1.24,518 0.988,519 1.445,520 1.123,521 0.957,522 0.783,523 0.802,524 0.823,525 1.162,526 0.795,527 1.055,528 0.764,529 0.923,530 0.807,531 1.159,532 0.843,533 6,534 0.194,535 3.778,536 2.438,537 2.382,538 0.993,539 0.446,540 0.345,541 0.287,542 0.259,543 9458,544 30579,545 1.993,546 41.7,548 16,551 4,555 1.708,556 1.826,557 3.484,558 1.733,559 1,560 1,564 81.319,565 1.694,566 3.694,567 4.342,568 4.767,569 4.866,570 5.163,571 2.883,572 4.45,573 4.783,574 3.64,575 1375.73,576 8.303,577 18358.4,579 1,581 1,582 268.078,583 1.531,584 4.714,585 0.2,586 0.008,587 0.09,588 0.051,589 0.053,590 0.028,591 0.017,592 0.013,593 0.011,594 0.01,595 0.479,596 0.17,597 1,598 0.993,599 141.271,600 -0.125,601 -0.109,602 0.031,603 -0.088,604 -0.18,605 0.008,606 -0.051,607 0.333,608 0.17,609 0.334,610 0.075,611 0.305,612 0.028,613 -0.152,614 0.015,615 -0.139,616 -0.01,617 -0.067,618 0.03,619 -0.176,620 -0.118,621 -0.236,622 0.011,623 -0.221,624 -0.179,625 -0.145,626 -0.309,627 -0.185,628 -0.14,629 -0.263,630 -0.017,631 0.087,632 -0.206,633 -0.024,634 -0.131,635 -0.141,636 -0.035,637 0.033,638 0.26,639 0.184,640 -0.02,641 0.278,642 0.013,643 0.167,644 0.084,645 0.185,646 0.127,647 0.149,648 2.237,649 5.576,650 0.571,651 24.423,652 1.023,653 1.133,654 1.964,655 3.856,656 0.654,657 3.434,658 3.761,659 4.06,660 4.317,661 4.511,662 4.5,663 4.522,664 4.522,665 4.595,666 4.605,667 6.791,668 0.643,669 384.43,670 3.434,671 4.977,672 5.838,673 6.725,674 7.601,675 8.49,676 9.371,677 10.259,678 11.141,679 12.029,680 8.3,684 2,690 2,694 2,695 5,696 2,700 7,702 17,710 1,711 2,716 3,718 48,719 18,720 2,721 30,723 50,724 19,725 14,726 7,727 5,728 1,729 3,730 4,741 15,742 4,744 1,748 1,751 1,753 1,754 1,757 20,758 9,759 4,760 9,764 4,769 0.667,770 5,776 1,781 3,785 1,802 2,806 3,810 28,811 2,816 1,818 4,829 10.4,832 1,834 4,836 15.333,837 9.567,838 6.417,839 2.381,840 3.348,841 1.456,842 0.958,843 6.064,844 10.693,845 3.701,846 4.344,847 4.978,848 5.571,849 6.13,850 6.373,851 6.649,852 6.879,853 7.211,854 7.187,855 0.875,856 48,857 10.283,859 4.283,860 7.97,861 18.89,863 14.601,865 2.47,866 69.167,869 1,870 188.338,871 122.86,872 99.365,874 69.144,877 122.86,878 257.482,879 99.365,880 32.649,881 4.592,882 113.176,883 65.907,884 70.818,885 4.227,886 188.338,888 188.338,889 222.225,890 69.144,893 188.338,894 69.144,897 8.636,898 180.018,899 33.571,901 188.338,902 168.51,903 122.86,906 188.338,907 42.829,908 80.03,910 168.51,911 188.338,912 168.51,913 122.86,915 0.577,916 0.363,917 0.206,918 0.109,919 19,920 10,921 0.14,922 7,923 1,924 1.125,925 3.833,926 237.785,927 0.125,928 16,929 134.606,933 19.981,934 8.498,935 4.08,936 1.244,937 168.51,938 8.425,939 8.053,943 2.296,945 65.794,946 479.707,947 39.5,951 12.576,954 -0.57,956 49.113,957 54.362,958 0.303,959 0.661,960 0.777,961 0.853,962 0.871,963 0.924,964 4.936,965 1.483,966 5.838,967 5.56,968 4.443,969 5.03,970 2.503,971 6.681,972 4.333,973 6.168,974 1.032,975 7.424,976 3.812,977 4.111,978 4.997,980 7.67,981 3.985,982 7.501,983 1.006,984 9.108,985 2.565,986 6.071,987 7.324,988 3.11,989 10.767,990 5.884,991 8.871,992 0.666,993 10.849,994 2.016,995 6.538,996 8.084,998 12.56,999 6.328,1000 10.271,1001 0.397,1002 12.627,1003 1.445,1004 7.982,1005 9.915,1006 4.038,1007 15.194,1008 7.73,1009 11.693,1010 0.289,1011 14.429,1012 0.693,1013 8.815,1014 11.047,1016 17.322,1017 8.531,1018 13.131,1019 -0.033,1020 16.25,1021 0.363,1022 10.064,1023 12.681,1024 5.084,1025 19.797,1026 9.745,1027 3.173,1028 -0.441,1029 18.085,1030 -0.078,1031 11.065,1032 13.994,1034 22.07,1035 10.71,1036 3.078,1037 11.096,1038 19.931,1039 -0.918,1040 12.24,1041 15.543,1042 6.164,1043 24.486,1044 11.851,1045 2.583,1046 10.175,1047 21.787,1048 4.491,1049 13.317,1050 16.945,1052 26.821,1053 12.89,1054 2.389,1055 8.358,1056 23.649,1057 4.217,1058 14.465,1059 18.457,1060 7.254,1061 29.218,1062 14.005,1063 2.05,1064 6.892,1065 25.518,1066 3.269,1067 15.577,1068 19.903,1070 31.581,1071 15.077,1072 1.981,1073 5.81,1074 27.392,1075 3.199,1076 16.718,1077 21.399,1078 8.346,1079 33.971,1080 16.182,1081 1.917,1082 5.778,1083 29.271,1084 2.811,1085 17.844,1086 22.866,1088 36.349,1089 17.27,1090 9333,1091 16910,1092 19.304,1093 31.387,1094 44.102,1095 46.351,1096 47.45,1097 43.952,1098 44.087,1099 58.357,1100 9.887,1101 129.128,1102 41.407,1103 5.418,1104 5.719,1105 6.327,1106 5.203,1107 5.173,1108 7.491,1109 3.455,1110 18.454,1111 5.038,1112 16.979,1113 1.47,1114 1.545,1115 1.582,1116 1.465,1117 1.47,1118 1.945,1119 0.33,1120 4.304,1121 1.38,1122 4.072,1123 4.104,1124 4.041,1125 3.982,1126 7.433,1127 3.991,1128 3.945,1129 3.947,1130 3.917,1131 3.844,1132 5.308,1133 3.859,1134 3.555,1135 3.602,1136 3.494,1137 3.349,1138 4.982,1139 3.378,1140 3.368,1141 3.391,1142 3.306,1143 3.106,1144 4.962,1145 3.151,1146 3.282,1147 3.337,1148 3.119,1149 2.993,1150 4.71,1151 3.009,1152 3.212,1153 3.284,1154 3.031,1155 2.944,1156 4.576,1157 2.952,1158 3.15,1159 3.238,1160 3.005,1161 2.894,1162 4.465,1163 2.898,1164 3.125,1165 3.213,1166 2.94,1167 2.85,1168 4.39,1169 2.868,1170 0.151,1171 0.124,1172 0.226,1173 0.138,1174 0.106,1175 4.542,1176 0.15,1177 3.719,1178 0.058,1179 6.779,1180 0.37,1181 4.131,1182 0.101,1183 3.173,1184 4.491,1185 1.727,1186 11.096,1187 3.038,1188 2.016,1189 1.991,1190 2.083,1191 2.127,1192 1.22,1193 2.113,1194 1.879,1195 1.875,1196 1.947,1197 2.005,1198 1.073,1199 1.982,1200 1.463,1201 1.416,1202 1.607,1203 1.707,1204 0.699,1205 1.68,1206 1.253,1207 1.218,1208 1.588,1209 1.566,1210 0.585,1211 1.567,1212 1.212,1213 1.147,1214 1.572,1215 1.529,1216 0.574,1217 1.539,1218 1.161,1219 1.078,1220 1.546,1221 1.491,1222 0.562,1223 1.505,1224 1.104,1225 1.037,1226 1.353,1227 1.387,1228 0.336,1229 1.376,1230 1.033,1231 0.957,1232 1.288,1233 1.377,1234 0.12,1235 1.37,1236 4.111,1238 5.434,1240 6.969,1242 8.605,1244 10.294,1246 4.397,1250 11.484,1252 0.024,1254 21.238,1262 30.874,1263 81.319,1264 177.295,1265 208.429,1266 228.794,1267 233.549,1268 247.814,1269 55.359,1270 7.345,1271 131.81,1272 131.81,1273 18,1274 12.56,1275 4.248,1276 3.392,1277 49.872,1278 117,1279 106,1280 0.212,1281 191.657,1282 331.67,1283 459.402,1284 15334,1286 20.259,1287 0.724,1288 0.56,1289 20.259,1290 15.684,1291 13.477,1292 0.449,1293 0.275,1294 8.036,1295 12.632,1296 7.776,1297 6.518,1298 13.477,1299 8.258,1300 11.765,1301 0.28,1302 0.138,1303 11.765,1304 5.777,1305 10.171,1306 0.178,1307 0.072,1308 10.171,1309 4.101,1310 8.703,1311 0.118,1312 0.038,1313 8.703,1314 2.796,1315 6.847,1316 0.076,1317 0.02,1318 6.847,1319 1.833,1320 0.335,1321 87.088,1322 0.228,1323 26.767,1324 0.571,1325 144,1326 528.592,1327 164.886,1328 491.161,1329 662.55,1330 460,1331 171,1332 478.051,1333 192.165,1334 484.192,1335 707.75,1336 448,1337 6.301}
{0 CHEMBL309966,1 1.597,2 9.261,3 2.896,4 8.389,5 93.701,6 8.221,7 0.68,8 3.799,9 3.937,10 3.443,11 3.333,12 4.978,13 3.32,14 4.277,15 4.468,16 3.833,17 3.714,18 5.425,19 3.681,20 4.46,21 4.63,22 3.972,23 3.884,24 5.566,25 3.834,26 4.632,27 4.845,28 3.931,29 3.925,30 5.752,31 3.827,32 4.708,33 4.965,34 3.634,35 3.863,36 5.706,37 3.728,38 4.539,39 4.814,40 3.527,41 3.715,42 5.466,43 3.567,44 4.384,45 4.65,46 3.563,47 3.584,48 5.371,49 3.459,50 4.224,51 4.476,52 3.343,53 3.412,54 5.289,55 3.289,56 0.056,57 0.644,58 7.302,59 2.984,60 10.698,61 4.041,62 0.233,63 0.968,64 14.289,65 5.263,66 22.092,67 7.225,68 0.171,69 1.133,70 17.771,71 6.241,72 16.673,73 8.549,74 0.309,75 1.238,76 23.672,77 8.12,78 37.165,79 11.189,80 0.444,81 1.207,82 31.51,83 8.021,84 52.77,85 11.335,86 0.305,87 1.023,88 22.712,89 7.638,90 34.401,91 11.017,92 0.233,93 0.852,94 21.543,95 6.577,96 29.734,97 9.476,98 0.265,99 0.733,100 19.313,101 5.064,102 32.617,103 7.086,104 26,105 36,106 0.282,107 0.674,108 0.81,109 0.863,110 0.872,111 0.872,112 3.189,113 0.897,114 -4.65,115 -4.57,116 -4.3,119 40,120 1,124 1,125 1,139 4,140 3,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 6,169 2,170 6,172 3,173 3,175 1,178 6,180 1,182 7,187 1,189 3,191 1,192 2,193 8,195 3,196 3,197 1,198 3,200 2,201 2,204 3,205 1,212 1,215 4,218 1,220 2,221 1,223 1,224 1,226 2,229 6,231 2,234 3,241 7,246 3,248 1,249 1,251 1,254 2,256 1,260 6,265 3,270 3,273 671,274 15.137,275 15.137,276 15.137,277 15.137,278 15.137,279 12.949,280 17.343,281 8.719,282 15.581,283 12.29,284 12.29,285 12.29,286 12.29,287 12.29,288 9.084,289 23.426,290 4.098,291 13.077,292 3.725,293 1.509,294 0.738,295 0.438,296 0.388,297 0.388,298 3.864,299 1,300 1,301 1,302 1,303 453,304 2.828,307 188.463,311 97.991,314 1.403,315 18.656,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49.333,327 213,328 4.656,329 3.371,330 6.837,331 4.191,332 3.219,333 4.616,334 0.916,335 11.243,336 3.134,337 4.259,338 3.246,339 6.395,340 3.882,341 2.955,342 3.836,343 0.172,344 9.67,345 2.722,346 3.902,347 2.77,348 5.806,349 3.484,350 2.531,351 3.409,353 7.885,354 2.407,355 3.457,356 2.428,357 5.107,358 3.019,359 2.094,360 2.861,362 5.983,363 1.931,364 3.408,365 2.14,366 5.028,367 2.917,368 2.001,369 2.726,371 5.812,372 1.83,373 3.135,374 2.035,375 4.842,376 2.775,377 1.848,378 2.302,380 5.082,381 1.701,382 2.859,383 1.643,384 4.23,385 2.352,386 1.414,387 2.01,389 3.51,390 1.286,391 2.703,392 1.541,393 3.787,394 2.292,395 1.34,396 1.774,398 3.05,399 1.24,400 2.4,401 1.126,402 3.571,403 2.007,404 1.037,405 1.371,407 2.569,408 1.003,409 1.6,410 0.605,411 3.037,412 1.254,413 0.314,414 0.384,415 0.765,416 0.292,417 1.198,418 0.322,419 2.822,420 0.838,421 -0.109,422 -0.135,423 -0.285,424 -0.103,425 1.062,426 0.112,427 2.657,428 0.595,429 -0.239,430 -0.291,431 -0.53,432 -0.161,433 0.934,434 -0.255,435 2.403,436 0.485,437 -0.415,438 -0.533,439 -1.09,440 -0.373,441 0.62,442 -0.363,443 2,444 0.276,445 -0.644,446 -0.734,448 -1.561,449 -0.59,450 0.525,451 -0.698,452 2,453 0.12,454 -0.849,455 -1.13,457 -2.015,458 -0.797,459 11.114,460 0.483,461 0.703,462 0.031,463 33,464 1.435,465 17.5,466 0.761,467 15.5,468 0.674,469 17.096,470 0.743,471 24.286,472 0.607,473 23.052,474 1.002,475 6.554,476 0.285,477 4.415,478 0.192,479 0.226,481 0.396,485 0.972,486 1.357,487 0.642,488 0.908,489 1.141,490 0.846,491 0.698,492 0.826,493 0.594,494 0.688,495 0.445,496 0.695,497 0.975,498 1.364,499 0.913,500 1.133,501 0.852,502 1.059,503 0.798,504 1.137,505 1.021,506 1.205,507 0.668,508 1.187,509 1.506,510 0.911,511 1.435,512 1.086,513 1.451,514 1.141,515 0.693,516 0.795,517 0.757,518 0.904,519 0.835,520 0.989,521 0.774,522 0.98,523 0.838,524 0.932,525 0.765,526 0.896,527 1.396,528 0.921,529 1.354,530 1.027,531 1.492,532 1.058,533 5,534 0.091,535 3.111,536 2.5,537 1.711,538 0.729,539 0.508,540 0.302,541 0.283,542 0.096,543 5265,544 15909,545 2.016,546 42.5,547 3,548 9,550 1,551 4,555 1.658,556 1.84,557 3.171,558 1.865,559 1,560 1,562 1,564 63.88,565 1.597,566 3.813,567 4.584,568 4.884,569 4.934,570 4.934,571 2.682,572 4.263,573 4.498,574 3.304,575 835.871,576 7.748,577 9282.31,578 1,579 1,580 1,581 1,582 212.877,583 1.538,584 4.428,585 0.2,586 0.011,587 0.086,588 0.064,589 0.049,590 0.028,591 0.022,592 0.013,593 0.016,594 0.006,595 0.496,596 0.17,597 1,598 0.675,599 106.454,600 -0.155,601 -0.139,602 0.004,603 0.018,604 -0.271,605 0.04,606 0.194,607 0.299,608 0.163,609 0.25,610 0.268,611 0.227,612 -0.068,613 -0.253,614 -0.051,615 -0.164,616 -0.077,617 -0.13,618 0.135,619 -0.118,620 -0.086,621 -0.228,622 0.204,623 -0.226,624 -0.387,625 0.04,626 -0.341,627 -0.121,628 -0.373,629 -0.179,630 0.083,631 0.115,632 0.064,633 0.071,634 -0.023,635 0.027,636 0.102,637 -0.099,638 0.18,639 0.087,640 0.126,641 0.141,642 -0.239,643 0.023,644 -0.184,645 -0.043,646 -0.299,647 -0.086,648 1.539,649 2.141,650 0.696,651 16.616,652 1.006,653 1.136,654 3.424,655 11.722,656 0.687,657 3.258,658 3.611,659 3.892,660 4.159,661 4.331,662 4.357,663 4.407,664 4.477,665 4.575,666 4.5,667 5.437,668 0.653,669 328.84,670 3.258,671 4.812,672 5.673,673 6.567,674 7.441,675 8.338,676 9.218,677 10.116,678 10.999,679 11.898,680 15,684 2,686 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,714 1,717 1,718 40,719 17,720 1,721 25,723 42,724 16,725 13,726 2,727 4,729 3,730 4,731 1,734 1,741 13,742 3,753 1,754 1,757 17,758 6,759 4,760 7,761 1,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 2,807 1,810 23,811 2,816 1,821 1,828 1,836 12.5,837 7.776,838 5,839 2.14,840 3.318,841 1.477,842 1.005,843 4.242,844 10.277,845 3.541,846 4.22,847 4.848,848 5.46,849 6.015,850 6.274,851 6.596,852 6.962,853 7.344,854 7.415,855 1,856 39,857 8.41,859 3.514,860 7.758,861 15.895,863 12.749,865 2.258,866 51.944,869 1,870 153.024,871 87.423,872 119.275,873 39.149,877 87.423,878 192.173,879 119.275,880 17.222,881 2.106,882 103.699,883 62.128,884 29.089,885 4.227,886 141.253,887 39.149,888 153.024,889 206.699,891 39.149,893 154.74,897 21.877,898 132.749,899 89.505,901 153.024,902 119.275,903 126.572,906 153.024,907 23.249,908 67.298,910 155.3,911 153.024,912 119.275,913 126.572,915 0.593,916 0.356,917 0.196,918 0.098,919 18,920 9,921 0.071,922 3,923 1,924 1.125,925 3.398,926 186.254,927 0.125,928 16,929 104.042,933 15.779,934 6.183,935 3.025,936 1.251,937 119.275,938 9.497,939 12.518,943 4.154,945 65.794,946 398.872,947 33.5,956 40.236,957 45.425,958 0.3,959 0.716,960 0.861,961 0.918,962 0.927,963 0.927,964 4.781,965 1.34,966 5.687,967 3.51,968 4.29,969 4.905,970 0.918,971 6.535,972 4.172,973 6.027,974 1.037,975 7.277,976 3.05,977 4.007,978 4.856,979 0.325,980 7.516,981 3.813,982 7.36,983 0.314,984 8.968,985 2.569,986 5.922,987 7.209,988 0.671,989 10.64,990 5.71,991 8.729,992 -0.109,993 10.716,994 0.765,995 6.415,996 7.957,997 0.393,998 12.433,999 6.145,1000 10.129,1001 -0.239,1002 12.5,1003 -0.285,1004 7.849,1005 9.822,1006 0.533,1007 15.093,1008 7.56,1009 11.552,1010 -0.415,1011 14.311,1012 -0.53,1013 8.701,1014 10.96,1015 0.384,1016 17.23,1017 8.368,1018 12.993,1019 -0.644,1020 16.14,1021 -1.09,1022 9.951,1023 12.621,1024 0.438,1025 19.725,1026 9.596,1027 3.219,1028 -0.849,1029 17.985,1030 -1.561,1031 10.966,1032 13.956,1033 0.351,1034 22.011,1035 10.577,1036 2.955,1037 11.243,1038 19.841,1039 -2.015,1040 12.146,1041 15.531,1042 0.366,1043 24.445,1044 11.733,1045 2.531,1046 9.67,1047 21.706,1048 4.616,1049 13.234,1050 16.962,1051 0.312,1052 26.797,1053 12.793,1054 2.094,1055 7.885,1056 23.578,1057 3.836,1058 14.391,1059 18.502,1060 0.309,1061 29.211,1062 13.926,1063 2.001,1064 5.983,1065 25.457,1066 3.409,1067 15.512,1068 19.981,1069 0.273,1070 31.593,1071 15.022,1072 1.848,1073 5.812,1074 27.341,1075 2.861,1076 16.663,1077 21.508,1078 0.262,1079 34.001,1080 16.15,1081 1.414,1082 5.082,1083 29.229,1084 2.726,1085 17.8,1086 23.011,1087 0.236,1088 36.398,1089 17.264,1090 5176,1091 9108,1092 16.126,1093 27.461,1094 37.958,1095 38.126,1096 39.68,1097 37.706,1098 37.506,1099 50.579,1100 2.178,1101 111.141,1102 35.094,1103 5.49,1104 5.371,1105 6.522,1106 5.266,1107 5.219,1108 7.616,1109 1.605,1110 18.529,1111 5.134,1112 12.989,1113 1.518,1114 1.525,1115 1.587,1116 1.508,1117 1.5,1118 2.023,1119 0.087,1120 4.446,1121 1.404,1122 4.074,1123 4.115,1124 4.064,1125 3.964,1126 5.321,1127 3.979,1128 3.905,1129 3.937,1130 3.987,1131 3.836,1132 4.982,1133 3.832,1134 3.561,1135 3.628,1136 3.501,1137 3.377,1138 4.939,1139 3.398,1140 3.325,1141 3.417,1142 3.301,1143 3.099,1144 4.803,1145 3.106,1146 3.162,1147 3.261,1148 3.179,1149 2.928,1150 4.354,1151 2.939,1152 3.023,1153 3.153,1154 3.049,1155 2.8,1156 4.226,1157 2.771,1158 2.88,1159 2.986,1160 2.816,1161 2.706,1162 4.071,1163 2.724,1164 2.877,1165 2.922,1166 2.679,1167 2.632,1168 3.995,1169 2.638,1170 0.186,1171 0.135,1172 0.273,1173 0.168,1174 0.129,1175 4.656,1176 0.185,1177 3.371,1178 0.037,1179 6.837,1180 0.45,1181 4.191,1182 0.125,1183 3.219,1184 4.616,1185 0.916,1186 11.243,1187 3.134,1188 2,1189 1.969,1190 2.066,1191 2.134,1192 1.243,1193 2.114,1194 1.881,1195 1.855,1196 1.971,1197 1.98,1198 1.076,1199 1.985,1200 1.501,1201 1.438,1202 1.69,1203 1.721,1204 0.802,1205 1.717,1206 1.292,1207 1.201,1208 1.581,1209 1.556,1210 0.564,1211 1.574,1212 1.12,1213 1.029,1214 1.447,1215 1.4,1216 0.535,1217 1.409,1218 0.946,1219 0.827,1220 1.263,1221 1.337,1222 0.19,1223 1.341,1224 0.869,1225 0.824,1226 1.198,1227 1.164,1228 0.154,1229 1.194,1230 0.863,1231 0.757,1232 1.121,1233 1.024,1234 0.06,1235 1.067,1236 3.932,1238 5.273,1240 6.819,1242 8.464,1244 10.158,1246 3.962,1247 6.252,1250 11.608,1252 0.641,1257 2.062,1262 26.117,1263 63.88,1264 152.513,1265 183.367,1266 195.367,1267 197.367,1268 197.367,1269 32.468,1270 6.959,1271 93.95,1272 93.95,1273 18,1274 12.424,1275 4.17,1276 3.248,1277 36.819,1278 75,1279 68,1280 0.245,1281 167.747,1282 275.67,1283 401.063,1284 8947,1285 2.5,1286 16.56,1287 0.72,1288 0.594,1289 17.06,1290 13.671,1291 10.969,1292 0.439,1293 0.299,1294 7.031,1295 10.31,1296 6.743,1297 5.642,1298 11.258,1299 7.477,1300 10.226,1301 0.284,1302 0.161,1303 10.597,1304 5.789,1305 8.523,1306 0.178,1307 0.086,1308 8.881,1309 4.125,1310 7.465,1311 0.118,1312 0.046,1313 7.815,1314 2.874,1315 5.419,1316 0.072,1317 0.023,1318 5.589,1319 1.721,1320 0.377,1321 71.498,1322 0.249,1323 22.282,1324 0.694,1325 122,1326 341.408,1327 147.76,1328 372.179,1329 506.82,1330 346,1331 145,1332 362.116,1333 167.527,1334 382.094,1335 558.04,1336 357,1337 7}
{0 CHEMBL310062,1 1.706,2 7.81,3 1.789,4 3.201,5 84.256,6 7.793,7 0.545,8 3.722,9 3.867,10 3.297,11 3.16,12 4.999,13 3.17,14 4.178,15 4.365,16 3.642,17 3.524,18 5.542,19 3.512,20 4.363,21 4.563,22 3.755,23 3.674,24 5.55,25 3.664,26 4.468,27 4.64,28 3.816,29 3.736,30 5.806,31 3.716,32 4.618,33 4.839,34 3.659,35 3.722,36 5.875,37 3.668,38 4.596,39 4.871,40 3.416,41 3.527,42 5.735,43 3.434,44 4.285,45 4.554,46 3.381,47 3.2,48 5.708,49 3.155,50 4.044,51 4.279,52 2.939,53 2.907,54 5.375,55 2.882,56 0.185,57 0.588,58 7.342,59 2.522,60 13.227,61 3.726,62 0.326,63 0.848,64 12.96,65 4.675,66 52.375,67 6.671,68 0.281,69 1,70 15.824,71 5.002,72 30.039,73 7.572,74 0.377,75 1.066,76 16.945,77 5.66,78 42.464,79 8.229,80 0.491,81 1.065,82 21.94,83 5.705,84 65.555,85 8.938,86 0.619,87 0.875,88 24.597,89 6.018,90 91.386,91 9.605,92 0.572,93 0.638,94 17.744,95 4.189,96 77.462,97 7.028,98 0.429,99 0.475,100 13.754,101 2.66,102 60.096,103 4.185,104 46,105 31,106 0.309,107 0.673,108 0.815,109 0.857,110 0.857,111 0.857,112 3.104,113 0.867,114 -3.58,115 -3.55,116 -3.39,119 35.1,120 1,121 1,124 1,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 4,172 3,173 3,175 2,178 5,180 1,182 7,185 1,187 3,189 4,191 1,193 11,195 1,196 3,197 1,198 6,200 2,201 3,204 5,205 1,207 7,212 5,215 3,218 4,220 2,221 1,223 1,224 1,226 2,229 1,231 2,233 4,234 3,236 2,237 4,238 1,239 2,240 1,243 1,246 2,248 1,249 1,251 1,262 2,263 2,264 1,267 1,273 533,274 13.809,275 13.809,276 13.809,277 13.809,278 13.809,279 12.015,280 19.196,281 7.905,282 14.121,283 10.688,284 10.688,285 10.688,286 10.688,287 10.688,288 7.894,289 25.52,290 3.511,291 11.15,292 3.503,293 1.49,294 0.71,295 0.473,296 0.473,297 0.473,298 3.756,300 1,301 1,302 1,303 330,304 2.915,307 137.458,314 1.093,315 28.285,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47,327 164,328 4.557,329 3.806,330 6.777,331 4.162,332 3.185,333 4.296,334 2.612,335 11.102,336 3.115,337 4.337,338 3.232,339 6.399,340 3.885,341 2.921,342 4.022,343 0.4,344 9.722,345 2.813,346 3.707,347 2.715,348 5.325,349 3.23,350 2.291,351 3.173,353 6.698,354 2.152,355 3.489,356 2.35,357 5.038,358 2.943,359 1.99,360 2.833,362 5.703,363 1.896,364 3.3,365 2.223,366 4.889,367 2.922,368 1.965,369 2.548,371 5.195,372 1.873,373 3.113,374 1.882,375 4.769,376 2.702,377 1.751,378 2.328,380 4.993,381 1.658,382 2.61,383 1.392,384 3.622,385 2,386 1,387 1.597,389 2.424,390 1,391 1.856,392 1,393 3.35,394 1.644,395 0.686,396 0.772,398 1.317,399 0.655,400 1.612,401 0.912,402 2.839,403 1.408,404 0.447,405 0.504,407 0.683,408 0.429,409 1.258,410 0.596,411 2.705,412 0.941,417 1,418 0.12,419 2.41,420 0.446,421 -0.476,422 -0.586,423 -1.121,424 -0.435,425 0.834,426 -0.258,427 2.259,428 0.414,429 -0.536,430 -0.675,431 -1.177,432 -0.51,433 0.801,434 -0.305,435 2.11,436 0.164,437 -0.815,438 -1.01,439 -2,440 -0.792,441 0.621,442 -0.642,443 1.813,444 0.003,445 -0.95,446 -1.232,448 -2.009,449 -0.91,450 0.221,451 -0.787,452 1.466,454 -1,455 -1.742,457 -2.594,458 -1,459 9.567,460 0.456,461 0.613,462 0.029,463 30.25,464 1.44,465 16.5,466 0.786,467 13.75,468 0.655,469 13.835,470 0.659,471 23.433,472 0.633,473 22.653,474 1.079,475 5.976,476 0.285,477 3.997,478 0.19,479 0.258,481 0.408,485 0.65,486 1.289,487 0.788,488 0.977,489 0.722,490 0.905,491 0.444,492 0.988,493 0.625,494 0.942,495 0.341,496 0.838,497 0.78,498 1.166,499 0.761,500 0.969,501 0.591,502 0.858,503 0.855,504 1.384,505 1.006,506 1.353,507 0.835,508 1.238,509 1.255,510 1.219,511 1.282,512 1.242,513 1.171,514 1.251,515 1.141,516 0.869,517 1.044,518 0.94,519 1.292,520 0.978,521 0.552,522 0.828,523 0.71,524 0.911,525 0.649,526 0.86,527 1.98,528 1,529 1.411,530 0.991,531 2.049,532 1.078,533 5,535 2.667,536 2.313,537 1.578,538 0.889,539 0.689,540 0.306,541 0.193,542 0.036,543 3430,544 11794,545 1.915,546 43.2,547 3,548 6,551 5,552 2,555 1.639,556 1.726,557 2.953,558 2.892,559 1,560 1,562 1,564 63.134,565 1.706,566 3.72,567 4.5,568 4.736,569 4.736,570 4.736,571 2.398,572 4.107,573 4.365,574 3.054,575 641.342,576 7.516,577 6658.88,578 1,579 1,581 1,582 192.75,583 1.575,584 4.277,585 0.227,587 0.086,588 0.066,589 0.045,590 0.032,591 0.033,592 0.015,593 0.016,594 0.007,595 0.527,596 0.33,597 1,598 1.127,599 92.735,600 0.069,601 0.03,602 0.006,603 0.122,604 -0.119,605 0.064,606 0.286,607 0.176,608 0.237,609 0.159,610 0.304,611 0.182,612 -0.067,613 -0.017,614 0.109,615 0.097,616 -0.007,617 0.146,618 0.013,619 -0.222,620 -0.145,621 -0.284,622 0.015,623 -0.26,624 -0.294,625 -0.185,626 -0.345,627 -0.271,628 -0.194,629 -0.303,630 -0.101,631 -0.037,632 -0.004,633 -0.006,634 -0.187,635 0.008,636 0.515,637 0.024,638 0.343,639 -0.013,640 0.401,641 0.101,642 -0.462,643 -0.147,644 -0.339,645 -0.143,646 -0.362,647 -0.206,648 2.449,649 4.141,650 0.571,651 13.864,652 1.018,653 1.148,654 2.347,655 5.51,656 0.642,657 3.135,658 3.466,659 3.738,660 4.007,661 4.174,662 4.205,663 4.263,664 4.205,665 4.127,666 3.85,667 4.746,668 0.627,669 288.35,670 3.135,671 4.673,672 5.525,673 6.418,674 7.292,675 8.19,676 9.07,677 9.968,678 10.852,679 11.75,680 16.2,684 2,685 1,690 2,691 1,695 3,696 2,700 7,702 12,711 2,712 1,713 1,718 37,719 14,720 1,721 22,723 38,724 13,725 10,726 3,727 3,729 2,730 2,734 1,739 1,741 10,742 3,744 2,746 1,748 2,753 1,754 1,757 16,758 7,759 5,760 8,764 6,769 1,770 2,776 1,781 2,802 2,806 2,810 21,811 2,816 1,817 1,829 5.4,835 2,836 12.167,837 7.1,838 4.806,839 2.115,840 2.528,841 1.394,842 0.959,843 4.357,844 8.936,845 3.434,846 4.078,847 4.649,848 5.247,849 5.775,850 6.059,851 6.423,852 6.671,853 6.976,854 7.08,855 1,856 35,857 7.693,859 3.217,860 8.151,861 14.024,863 10.884,865 2.651,866 55.667,870 129.482,871 67.053,872 123.046,874 50.747,877 67.053,878 180.229,879 123.046,880 22.892,881 2.535,882 94.223,883 51.582,884 14.641,885 4.227,886 129.482,887 50.747,888 129.482,889 190.099,890 50.747,893 129.482,895 50.747,897 16.016,898 116.832,899 57.252,901 129.482,902 173.793,903 67.053,906 129.482,907 21.403,908 51.32,909 18.011,910 150.112,911 129.482,912 173.793,913 67.053,915 0.58,916 0.355,917 0.202,918 0.107,919 14,920 8,921 0.105,922 4,924 1,925 3.081,926 159.761,928 12,929 90.239,933 15.161,934 6.035,935 2.939,937 168.123,938 4.822,939 8.082,943 2.532,945 83.805,946 370.329,947 30,949 -0.449,951 22.282,956 37.683,957 42.485,958 0.328,959 0.714,960 0.864,961 0.909,962 0.909,963 0.909,964 4.663,965 0.686,966 5.541,967 2.424,968 4.143,969 4.762,970 2.527,971 6.395,972 4.066,973 5.909,974 0.447,975 7.136,976 1.317,977 3.892,978 4.783,979 2.361,980 7.42,981 3.78,982 7.248,984 8.831,985 0.683,986 5.778,987 7.036,988 4.155,989 10.518,990 5.637,991 8.623,992 -0.476,993 10.582,995 6.293,996 7.803,997 4.506,998 12.343,999 6.128,1000 10.025,1001 -0.536,1002 12.368,1003 -1.121,1004 7.707,1005 9.587,1006 5.948,1007 14.983,1008 7.517,1009 11.447,1010 -0.815,1011 14.179,1012 -1.177,1013 8.569,1014 10.695,1015 6.556,1016 17.141,1017 8.358,1018 12.884,1019 -0.95,1020 16.009,1021 -2,1022 9.806,1023 12.291,1024 7.794,1025 19.618,1026 9.573,1027 3.185,1028 -1,1029 17.854,1030 -2.009,1031 10.824,1032 13.566,1033 8.548,1034 21.912,1035 10.571,1036 2.921,1037 11.102,1038 19.709,1039 -2.594,1040 11.996,1041 15.079,1042 9.67,1043 24.33,1044 11.721,1045 2.291,1046 9.722,1047 21.574,1048 4.296,1049 13.083,1050 16.436,1051 10.509,1052 26.681,1053 12.787,1054 1.99,1055 6.698,1056 23.446,1057 4.022,1058 14.232,1059 17.91,1060 11.563,1061 29.08,1062 13.916,1063 1.965,1064 5.703,1065 25.323,1066 3.173,1067 15.349,1068 19.309,1069 12.452,1070 31.454,1071 15.011,1072 1.751,1073 5.195,1074 27.205,1075 2.833,1076 16.491,1077 20.766,1078 13.468,1079 33.848,1080 16.133,1081 1,1082 4.993,1083 29.091,1084 2.548,1085 17.622,1086 22.185,1087 14.386,1088 36.234,1089 17.243,1090 3625,1091 6839,1092 13.641,1093 23.75,1094 32.617,1095 34.143,1096 35.289,1097 32.528,1098 32.473,1099 44.147,1100 6.025,1101 95.677,1102 31.184,1103 5.24,1104 5.806,1105 6.317,1106 5.232,1107 5.185,1108 7.296,1109 4.612,1110 17.994,1111 5.115,1112 13.55,1113 1.483,1114 1.552,1115 1.604,1116 1.479,1117 1.476,1118 2.007,1119 0.274,1120 4.349,1121 1.417,1122 4.051,1123 4.082,1124 4.022,1125 3.943,1126 7.815,1127 3.954,1128 3.83,1129 3.879,1130 3.802,1131 3.641,1132 6.999,1133 3.667,1134 3.474,1135 3.512,1136 3.434,1137 3.199,1138 5.285,1139 3.192,1140 3.393,1141 3.486,1142 3.204,1143 3.06,1144 4.98,1145 3.124,1146 3.307,1147 3.402,1148 3.144,1149 3.022,1150 4.705,1151 3.062,1152 3.067,1153 3.191,1154 2.913,1155 2.779,1156 4.422,1157 2.795,1158 2.823,1159 2.927,1160 2.637,1161 2.576,1162 4.14,1163 2.589,1164 2.68,1165 2.771,1166 2.505,1167 2.42,1168 3.965,1169 2.434,1170 0.207,1171 0.173,1172 0.308,1173 0.189,1174 0.145,1175 4.557,1176 0.195,1177 3.806,1178 0.119,1179 6.777,1180 0.505,1181 4.162,1182 0.142,1183 3.185,1184 4.296,1185 2.612,1186 11.102,1187 3.115,1188 1.978,1189 1.953,1190 2.05,1191 2.12,1192 1.204,1193 2.09,1194 1.736,1195 1.69,1196 1.882,1197 1.96,1198 1.03,1199 1.921,1200 1.389,1201 1.305,1202 1.663,1203 1.676,1204 0.694,1205 1.661,1206 1.277,1207 1.174,1208 1.588,1209 1.635,1210 0.565,1211 1.617,1212 1.186,1213 1.152,1214 1.285,1215 1.54,1216 0.213,1217 1.515,1218 0.974,1219 0.877,1220 1.257,1221 1.359,1222 0.135,1223 1.345,1224 0.792,1225 0.692,1226 1.125,1227 1.091,1228 0.062,1229 1.112,1230 0.649,1231 0.553,1232 0.998,1233 0.93,1235 0.962,1236 3.807,1238 5.13,1240 6.663,1242 8.298,1244 9.986,1246 3.529,1250 11.495,1252 0.591,1253 2.784,1262 23.192,1263 63.134,1264 137.63,1265 166.485,1266 175.24,1267 175.24,1268 175.24,1269 45.245,1270 6.409,1271 135.67,1272 135.67,1273 12,1274 12.276,1275 3.907,1276 3.17,1277 38.947,1278 59,1279 57,1280 0.338,1281 148.951,1282 252.04,1283 355.199,1284 3914,1286 15.569,1287 0.741,1288 0.56,1289 15.569,1290 11.752,1291 9.973,1292 0.453,1293 0.289,1294 6.241,1295 9.441,1296 6.061,1297 5.105,1298 9.973,1299 6.359,1300 8.949,1301 0.289,1302 0.141,1303 8.949,1304 4.381,1305 7.219,1306 0.176,1307 0.076,1308 7.219,1309 3.117,1310 6.29,1311 0.116,1312 0.04,1313 6.29,1314 2.166,1315 4.773,1316 0.075,1317 0.021,1318 4.773,1319 1.371,1320 0.504,1321 63.687,1322 0.271,1323 20.21,1324 1.007,1325 106,1326 365.364,1327 119.948,1328 355.756,1329 476.41,1330 326,1331 125,1332 359.097,1333 138.174,1334 358.261,1335 517.94,1336 335,1337 6.824}
{0 CHEMBL310397,1 1.678,2 11.939,3 2.855,4 8.153,5 122.003,6 8.49,7 0.622,8 4.098,9 4.208,10 3.765,11 3.622,12 5.356,13 3.648,14 4.565,15 4.702,16 4.151,17 3.998,18 5.886,19 4.011,20 4.827,21 4.987,22 4.272,23 4.186,24 6.07,25 4.179,26 4.873,27 5.06,28 4.201,29 4.242,30 5.99,31 4.193,32 4.961,33 5.162,34 4.18,35 4.289,36 6.053,37 4.216,38 4.964,39 5.186,40 4.12,41 4.189,42 6.068,43 4.126,44 4.839,45 5.057,46 4.061,47 4.074,48 5.938,49 4.032,50 4.711,51 4.904,52 4.031,53 3.972,54 5.901,55 3.949,56 0.154,57 0.838,58 8.292,59 3.959,60 20.403,61 4.387,62 0.417,63 1.301,64 14.954,65 6.674,66 50.279,67 7.808,68 0.727,69 1.637,70 21.532,71 8.351,72 69.575,73 9.787,74 0.487,75 1.707,76 23.003,77 9.816,78 42.799,79 12.372,80 0.466,81 1.773,82 26.54,83 11.317,84 46.936,85 14.751,86 0.62,87 1.701,88 29.774,89 10.997,90 69.104,91 14.324,92 0.514,93 1.511,94 26.216,95 9.365,96 51.607,97 12.204,98 0.553,99 1.35,100 21.536,101 7.893,102 49.039,103 9.952,104 20,105 53,106 0.274,107 0.665,108 0.794,109 0.875,110 0.9,111 0.906,112 3.532,113 0.815,114 -3.72,115 -3.69,116 -3.51,119 44.2,125 2,134 2,139 7,140 2,141 3,142 1,143 2,144 1,146 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 9,169 2,170 6,171 1,172 3,173 4,178 10,181 5,182 8,184 1,185 2,189 10,192 2,193 2,195 3,196 3,197 1,200 2,201 10,202 2,205 1,206 1,207 7,209 1,210 1,212 2,215 10,216 2,220 2,221 13,223 1,224 1,226 2,229 5,230 1,234 10,235 1,239 1,241 1,242 1,245 2,246 12,248 1,249 2,251 5,255 1,256 4,259 1,260 13,265 7,269 2,270 6,273 2066,274 22.325,275 22.325,276 22.325,277 22.325,278 22.325,279 19.25,280 25.623,281 13.074,282 22.827,283 18.307,284 18.307,285 18.307,286 18.307,287 18.307,288 13.588,289 35.155,290 6.272,291 19.179,292 4.022,293 1.632,294 0.839,295 0.346,296 0.192,297 0.154,298 4.243,301 1,302 1,303 862,304 3.391,307 276.175,308 75.74,311 121.606,312 245.163,314 1.816,315 35.033,318 1,319 0.83,320 1,321 0.4,323 0.83,324 0.5,325 0.65,326 72.5,327 394,328 4.549,329 3.628,330 6.81,331 4.172,332 3.213,333 4.491,334 2.423,335 11.279,336 3.085,337 4.489,338 3.417,339 6.501,340 4.014,341 3.07,342 4.107,343 0.922,344 10.172,345 2.894,346 4.112,347 3.116,348 6.099,349 3.701,350 2.721,351 3.741,352 0.916,353 8.854,354 2.67,355 3.788,356 2.882,357 5.488,358 3.399,359 2.446,360 3.241,361 0.172,362 7.27,363 2.327,364 3.638,365 2.625,366 5.283,367 3.276,368 2.327,369 2.934,371 6.743,372 2.195,373 3.485,374 2.507,375 5.081,376 3.094,377 2.133,378 2.811,380 5.983,381 2.035,382 3.428,383 2.212,384 5.058,385 2.983,386 2.034,387 2.725,389 5.796,390 1.925,391 3.396,392 2.102,393 4.946,394 2.93,395 1.989,396 2.649,398 5.614,399 1.861,400 3.29,401 1.996,402 4.603,403 2.839,404 1.891,405 2.509,407 5.014,408 1.778,409 2.936,410 1.511,411 4.254,412 2.466,413 1.47,414 2.121,415 3.673,416 1.463,417 2.773,418 1.418,419 3.841,420 2.332,421 1.34,422 1.887,423 3.173,424 1.328,425 2.455,426 1.354,427 3.709,428 1.928,429 1.01,430 1.435,431 2.565,432 0.926,433 2.365,434 1.06,435 3.574,436 1.884,437 0.927,438 1.248,439 2.374,440 0.884,441 2.164,442 0.992,443 3.201,444 1.595,445 0.623,446 0.915,448 1.477,449 0.601,450 1.798,451 0.646,452 3.061,453 1.47,454 0.558,455 0.658,457 1.322,458 0.502,459 15.3,460 0.464,461 0.87,462 0.026,463 49.75,464 1.508,465 27,466 0.818,467 22.75,468 0.689,469 23.633,470 0.716,471 33.9,472 0.652,473 41.057,474 1.244,475 10.029,476 0.304,477 5.946,478 0.18,479 0.096,481 0.386,485 0.957,486 1.235,487 0.713,488 0.931,489 0.92,490 0.788,491 0.742,492 1.061,493 0.733,494 0.965,495 0.452,496 0.873,497 0.931,498 0.965,499 0.978,500 0.883,501 0.84,502 0.928,503 0.632,504 0.919,505 0.987,506 1.051,507 0.408,508 1.087,509 0.597,510 1.059,511 1.004,512 1.179,513 0.542,514 1.181,515 0.863,516 0.914,517 0.99,518 1.008,519 0.869,520 1.025,521 0.94,522 1.01,523 0.908,524 0.952,525 0.743,526 0.924,527 0.933,528 1.01,529 0.929,530 0.976,531 0.842,532 0.958,533 7,534 0.311,535 3.556,536 2.25,537 2.478,538 0.972,539 0.701,540 0.674,541 0.5,542 0.321,543 14841,544 47453,545 2.131,546 36.5,548 13,550 1,551 5,555 1.757,556 2,557 3.477,558 2.371,560 1,564 87.264,565 1.678,566 4.068,567 4.861,568 5.354,569 5.508,570 5.547,571 2.988,572 4.802,573 5.01,574 3.675,575 1940.28,576 8.807,577 27989.1,579 1,582 296.423,583 1.393,584 4.979,585 0.189,586 0.01,587 0.067,588 0.038,589 0.045,590 0.018,591 0.014,592 0.014,593 0.011,594 0.007,595 0.415,596 0.17,597 0.75,598 0.98,599 172.825,600 -0.167,601 -0.097,602 0.009,603 0.034,604 -0.202,605 0.061,606 0.129,607 0.034,608 0.07,610 0.203,611 0.011,612 0.031,613 0.109,614 -0.111,615 0.068,616 -0.042,617 -0.033,618 0.022,619 0.119,620 -0.113,621 -0.056,622 0.059,623 -0.107,624 0.03,625 -0.085,626 -0.086,627 -0.147,628 0.029,629 -0.144,630 -0.033,631 0.028,632 0.017,633 0.007,634 -0.071,635 0.02,636 -0.087,637 -0.06,638 0.096,639 0.055,640 -0.021,641 0.11,642 0.028,643 -0.023,644 0.035,645 0.008,646 -0.006,647 0.018,648 2.7,649 3.871,650 0.758,651 35.365,652 1.019,653 1.127,654 2.492,655 6.211,656 0.692,657 3.638,658 3.989,659 4.277,660 4.595,661 4.905,662 5.05,663 5.231,664 5.434,665 5.642,666 5.746,667 6.909,668 0.682,669 441.49,670 3.638,671 5.198,672 6.061,673 6.957,674 7.841,675 8.742,676 9.635,677 10.539,678 11.438,679 12.343,680 13.5,684 2,688 1,690 4,694 2,695 8,696 4,700 8,702 23,711 2,714 1,716 1,718 52,719 25,720 2,721 37,723 56,724 23,725 18,726 5,727 7,728 2,729 5,730 9,741 21,742 2,744 2,748 1,749 2,751 1,754 1,757 19,758 10,759 5,760 10,764 7,769 0.4,770 3,774 1,776 1,781 4,782 1,785 1,786 2,792 1,795 2,800 1,802 2,810 33,811 2,815 1,816 2,818 1,821 1,829 5.8,831 1,832 1,834 1,836 16.5,837 9.283,838 7.083,839 2.806,840 5.29,841 1.613,842 1.018,843 5.443,844 13.92,845 3.942,846 4.59,847 5.201,848 5.832,849 6.464,850 6.804,851 7.252,852 7.717,853 8.209,854 8.532,855 1,856 59,857 12.113,859 5.258,860 7.919,861 22.562,863 18.54,865 2.419,866 79.833,869 1,870 164.795,871 129.913,872 136.061,874 78.828,877 129.913,878 243.624,879 136.061,881 6.698,882 151.081,883 147.651,884 46.916,885 4.227,886 153.024,888 164.795,889 265.974,890 78.828,893 166.511,894 78.828,897 25.67,898 152.494,899 86.095,901 164.795,902 214.889,903 129.913,906 164.795,907 35.579,908 97.458,910 211.765,911 164.795,912 214.889,913 129.913,915 0.587,916 0.335,917 0.188,918 0.112,919 27,920 12,921 0.089,922 5,923 3,924 1.24,925 4.284,926 325.526,927 0.24,928 25,929 166.465,933 20.976,934 8.562,935 4.253,936 0.725,937 214.889,938 15.076,939 17.063,943 5.132,945 108.478,946 509.597,947 50.5,951 10.871,952 3.984,954 -1.033,956 52.996,957 58.608,958 0.294,959 0.714,960 0.853,961 0.939,962 0.966,963 0.973,964 5.186,965 1.989,966 6.057,967 5.796,968 4.673,969 5.278,970 2.618,971 6.887,972 4.581,973 6.414,974 1.891,975 7.623,976 5.614,977 4.29,978 5.121,979 2.283,980 7.803,981 4.153,982 7.733,983 1.47,984 9.287,985 5.014,986 6.282,987 7.523,988 3.857,989 10.927,990 6.102,991 9.084,992 1.34,993 11.01,994 3.673,995 6.686,996 8.161,997 4.245,998 12.681,999 6.457,1000 10.463,1001 1.01,1002 12.77,1003 3.173,1004 8.165,1005 10.051,1006 5.44,1007 15.33,1008 7.898,1009 11.864,1010 0.927,1011 14.559,1012 2.565,1013 8.949,1014 11.09,1015 6.112,1016 17.448,1017 8.632,1018 13.283,1019 0.623,1020 16.368,1021 2.374,1022 10.22,1023 12.755,1024 7.139,1025 19.932,1026 9.866,1027 3.213,1028 0.558,1029 18.194,1030 1.477,1031 11.193,1032 14.008,1033 7.928,1034 22.208,1035 10.79,1036 3.07,1037 11.279,1038 20.033,1039 1.322,1040 12.38,1041 15.569,1042 8.878,1043 24.633,1044 11.937,1045 2.721,1046 10.172,1047 21.883,1048 4.491,1049 13.445,1050 16.933,1051 9.719,1052 26.978,1053 12.953,1054 2.446,1055 8.854,1056 23.742,1057 4.107,1058 14.601,1059 18.447,1060 10.635,1061 29.386,1062 14.068,1063 2.327,1064 7.27,1065 25.608,1066 3.741,1067 15.708,1068 19.869,1069 11.499,1070 31.762,1071 15.129,1072 2.133,1073 6.743,1074 27.48,1075 3.241,1076 16.855,1077 21.363,1078 12.399,1079 34.165,1080 16.233,1081 2.034,1082 5.983,1083 29.357,1084 2.934,1085 17.984,1086 22.815,1087 13.274,1088 36.557,1089 17.316,1090 13973,1091 25135,1092 24.967,1093 35.972,1094 56.595,1095 56.909,1096 57.122,1097 55.713,1098 55.732,1099 75.243,1100 8.868,1101 163.203,1102 53.159,1103 5.4,1104 5.628,1105 6.493,1106 5.253,1107 5.213,1108 7.491,1109 4.104,1110 18.65,1111 5.085,1112 15.868,1113 1.53,1114 1.538,1115 1.544,1116 1.506,1117 1.506,1118 2.034,1119 0.24,1120 4.411,1121 1.437,1122 4.083,1123 4.122,1124 4.052,1125 3.993,1126 7.474,1127 3.999,1128 3.985,1129 4.025,1130 3.961,1131 3.832,1132 6.351,1133 3.864,1134 3.804,1135 3.825,1136 3.746,1137 3.741,1138 5.342,1139 3.738,1140 3.545,1141 3.588,1142 3.477,1143 3.331,1144 4.99,1145 3.355,1146 3.499,1147 3.529,1148 3.434,1149 3.279,1150 4.904,1151 3.309,1152 3.3,1153 3.344,1154 3.196,1155 3.19,1156 4.847,1157 3.192,1158 3.154,1159 3.233,1160 3.075,1161 2.925,1162 4.706,1163 2.953,1164 3.1,1165 3.216,1166 2.992,1167 2.779,1168 4.327,1169 2.822,1170 0.123,1171 0.098,1172 0.184,1173 0.113,1174 0.087,1175 4.549,1176 0.121,1177 3.628,1178 0.065,1179 6.81,1180 0.305,1181 4.172,1182 0.083,1183 3.213,1184 4.491,1185 2.423,1186 11.279,1187 3.085,1188 1.947,1189 1.913,1190 2.027,1191 2.117,1192 1.175,1193 2.082,1194 1.91,1195 1.89,1196 2.004,1197 2.006,1198 1.122,1199 1.997,1200 1.88,1201 1.844,1202 1.931,1203 1.979,1204 0.972,1205 1.989,1206 1.449,1207 1.408,1208 1.61,1209 1.709,1210 0.727,1211 1.673,1212 1.395,1213 1.361,1214 1.578,1215 1.645,1216 0.691,1217 1.623,1218 1.299,1219 1.261,1220 1.5,1221 1.437,1222 0.558,1223 1.462,1224 1.07,1225 1.002,1226 1.285,1227 1.381,1228 0.244,1229 1.363,1230 0.98,1231 0.874,1232 1.252,1233 1.341,1234 0.178,1235 1.323,1236 4.317,1238 5.659,1240 7.192,1241 2.708,1242 8.819,1243 5.38,1244 10.497,1250 11.649,1251 8.908,1252 -0.013,1254 5.364,1257 2.107,1262 35.455,1263 87.264,1264 211.552,1265 252.771,1266 278.423,1267 286.423,1268 288.423,1269 49.668,1270 8.63,1271 155.06,1272 155.06,1273 31,1274 12.863,1275 4.7,1276 3.858,1277 47.603,1278 130,1279 158,1280 0.172,1281 215.92,1282 370.11,1283 518.605,1284 76808,1286 22.949,1287 0.695,1288 0.526,1289 22.949,1290 17.342,1291 15.974,1292 0.432,1293 0.272,1294 9.888,1295 15.284,1296 9.724,1297 8.017,1298 15.974,1299 10.057,1300 14.916,1301 0.281,1302 0.139,1303 14.916,1304 7.382,1305 12.25,1306 0.173,1307 0.072,1308 12.25,1309 5.143,1310 10.735,1311 0.11,1312 0.038,1313 10.735,1314 3.722,1315 9.384,1316 0.07,1317 0.02,1318 9.384,1319 2.678,1320 0.266,1321 100.703,1322 0.2,1323 30.265,1324 0.485,1325 180,1326 566.471,1327 200.932,1328 550.455,1329 757.92,1330 514,1331 214,1332 570.248,1333 234.355,1334 575.692,1335 844.91,1336 542,1337 6.553}
{0 CHEMBL310807,1 1.684,2 11.654,3 2.361,4 5.575,5 97.527,6 8.055,7 0.607,8 3.908,9 4.014,10 3.523,11 3.375,12 5.159,13 3.402,14 4.382,15 4.525,16 3.865,17 3.713,18 5.65,19 3.731,20 4.501,21 4.633,22 3.963,23 3.841,24 5.76,25 3.851,26 4.643,27 4.806,28 3.869,29 3.819,30 5.891,31 3.803,32 4.641,33 4.84,34 3.697,35 3.739,36 5.833,37 3.685,38 4.543,39 4.78,40 3.534,41 3.608,42 5.722,43 3.519,44 4.38,45 4.612,46 3.401,47 3.444,48 5.466,49 3.394,50 4.145,51 4.301,52 3.421,53 3.361,54 5.53,55 3.343,56 0.134,57 0.643,58 8,59 3.647,60 14.657,61 4.271,62 0.515,63 0.939,64 15.772,65 6.105,66 42.371,67 7.146,68 0.388,69 1.091,70 16.125,71 6.517,72 27.735,73 7.899,74 0.552,75 1.131,76 21.1,77 7.613,78 57.695,79 9.134,80 0.734,81 1.078,82 22.921,83 7.401,84 63.665,85 9.576,86 0.699,87 0.947,88 22,89 7.084,90 66.343,91 9.979,92 0.505,93 0.761,94 19.676,95 6.273,96 54.53,97 8.214,98 0.478,99 0.674,100 12.985,101 4.566,102 58.983,103 5.515,104 30,105 39,106 0.291,107 0.645,108 0.758,109 0.842,110 0.85,111 0.858,112 3.304,113 0.827,114 -3.7,115 -3.67,116 -3.49,119 40.9,124 2,125 1,139 6,140 3,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 7,169 2,170 8,172 3,173 3,175 1,178 6,180 1,181 1,182 13,187 1,189 3,191 1,193 10,195 1,196 1,197 1,198 4,200 2,201 1,204 4,205 1,206 2,207 3,212 3,215 4,218 3,220 4,221 2,223 1,224 1,226 1,229 7,231 1,234 1,241 6,245 2,246 5,248 2,249 2,251 1,254 2,256 1,260 8,265 2,270 2,273 944,274 17.48,275 17.48,276 17.48,277 17.48,278 17.48,279 15.328,280 20.053,281 10.092,282 18.1,283 13.658,284 13.658,285 13.658,286 13.658,287 13.658,288 10.216,289 22.342,290 4.598,291 14.443,292 3.775,293 1.722,294 1.069,295 0.58,296 0.534,297 0.489,298 3.983,300 1,301 1,302 1,303 641,304 3.317,307 236.026,311 124.028,314 1.68,315 31.927,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 58,327 303,328 4.541,329 3.67,330 6.502,331 4.049,332 3.079,333 4.491,334 1.727,335 10.175,336 2.989,337 4.325,338 3.166,339 6.238,340 3.927,341 2.959,342 3.97,343 0.86,344 9.347,345 2.863,346 3.894,347 3.127,348 5.89,349 3.536,350 2.583,351 3.267,352 0.86,353 8.099,354 2.438,355 3.753,356 2.668,357 5.31,358 3.35,359 2.382,360 3.193,361 0.636,362 6.872,363 2.303,364 3.429,365 2.202,366 5.062,367 2.975,368 2.043,369 2.811,371 5.803,372 1.898,373 3.373,374 2.191,375 4.971,376 2.91,377 1.962,378 2.697,380 5.756,381 1.855,382 2.919,383 2.053,384 4.405,385 2.523,386 1.613,387 2.058,389 4.206,390 1.461,391 2.866,392 1.936,393 4.156,394 2.395,395 1.439,396 1.924,398 3.708,399 1.354,400 2.453,401 1.445,402 3.71,403 1.982,404 1.008,405 1.433,407 2.565,408 0.98,409 1.91,410 1.057,411 3.168,412 1.608,413 0.71,414 0.824,415 1.448,416 0.629,417 1.822,418 1.051,419 2.99,420 1.459,421 0.519,422 0.635,423 1.049,424 0.479,425 1.452,426 0.934,427 2.718,428 1.18,429 0.323,430 0.356,431 0.436,432 0.275,433 1.335,434 0.359,435 2.579,436 0.902,437 -0.033,438 -0.043,439 -0.08,440 -0.031,441 0.97,442 0.045,443 2.504,444 0.482,445 -0.442,446 -0.569,448 -0.897,449 -0.406,450 0.823,451 -0.136,452 2.39,453 0.433,454 -0.506,455 -0.614,457 -1.151,458 -0.46,459 11.933,460 0.459,461 0.66,462 0.025,463 36.75,464 1.413,465 19.5,466 0.75,467 17.25,468 0.663,469 17.33,470 0.667,471 28.267,472 0.642,473 28.58,474 1.099,475 7.717,476 0.297,477 4.794,478 0.184,479 0.179,481 0.377,485 0.93,486 1.248,487 0.746,488 1.09,489 0.889,490 0.895,491 1.065,492 0.763,493 0.76,494 0.762,495 0.646,496 0.715,497 0.969,498 1.283,499 0.913,500 1.189,501 0.813,502 1.054,503 1.324,504 1.175,505 1.159,506 1.224,507 1.353,508 1.176,509 1.137,510 1.054,511 1.189,512 1.093,513 1.148,514 1.143,515 0.632,516 0.811,517 0.956,518 0.992,519 1.041,520 1.037,521 1.242,522 0.755,523 0.872,524 0.763,525 1.445,526 0.752,527 1.206,528 0.911,529 1.123,530 0.978,531 1.42,532 1.042,533 6,534 0.157,535 3.333,536 1.75,537 1.911,538 0.875,539 0.364,540 0.314,541 0.275,542 0.174,543 8148,544 25949,545 2.014,546 40.9,548 14,551 4,555 1.686,556 1.857,557 3.498,558 1.773,559 1,560 1,564 74.098,565 1.684,566 3.737,567 4.391,568 4.88,569 4.925,570 4.971,571 2.917,572 4.393,573 4.675,574 3.642,575 1183.59,576 8.074,577 15147.6,579 1,581 1,582 240.215,583 1.502,584 4.615,585 0.214,586 0.008,587 0.085,588 0.042,589 0.053,590 0.03,591 0.015,592 0.014,593 0.012,594 0.008,595 0.481,596 0.17,597 1,598 0.923,599 128.821,600 -0.127,601 -0.06,602 0.023,603 -0.04,604 -0.19,605 0.029,606 0.018,607 0.292,608 0.143,609 0.259,610 0.114,611 0.225,612 -0.053,613 -0.172,614 -0.071,615 -0.169,616 -0.023,617 -0.124,618 -0.204,619 -0.179,620 -0.218,621 -0.231,622 -0.156,623 -0.235,624 -0.059,625 -0.103,626 -0.196,627 -0.122,628 -0.087,629 -0.177,630 0.265,631 0.105,632 0.066,633 -0.015,634 0.095,635 -0.015,636 -0.136,637 0.071,638 0.2,639 0.246,640 -0.121,641 0.291,642 -0.01,643 0.09,644 -0.174,645 0.015,646 0.07,647 -0.112,648 2.146,649 5.276,650 0.615,651 22.84,652 1.02,653 1.13,654 2.47,655 6.102,656 0.663,657 3.367,658 3.689,659 3.951,660 4.174,661 4.394,662 4.407,663 4.419,664 4.407,665 4.5,666 4.489,667 6.741,668 0.651,669 354.4,670 3.367,671 4.905,672 5.753,673 6.627,674 7.489,675 8.365,676 9.232,677 10.108,678 10.977,679 11.853,680 9.1,684 2,690 2,694 2,695 6,696 2,700 6,702 17,710 1,711 2,716 2,718 44,719 18,720 2,721 28,723 46,724 18,725 14,726 6,727 6,728 1,729 3,730 4,741 15,742 3,744 1,748 1,751 1,753 1,754 1,757 18,758 8,759 4,760 8,764 4,769 0.667,770 4,776 1,781 3,785 1,802 2,806 2,810 26,811 2,816 1,818 3,829 9.1,832 1,834 3,836 14,837 8.483,838 5.861,839 2.214,840 3.291,841 1.457,842 0.972,843 5.326,844 10.485,845 3.651,846 4.29,847 4.903,848 5.482,849 6.066,850 6.31,851 6.586,852 6.813,853 7.166,854 7.13,855 0.875,856 42,857 9.536,859 3.982,860 7.962,861 17.581,863 13.705,865 2.462,866 64,869 1,870 164.795,871 116.209,872 99.365,874 58.145,877 116.209,878 222.94,879 99.365,880 21.766,881 4.592,882 122.652,883 65.907,884 54.575,885 4.227,886 164.795,888 164.795,889 215.575,890 58.145,893 164.795,894 58.145,897 8.636,898 173.368,899 33.571,901 164.795,902 157.51,903 116.209,906 164.795,907 37.586,908 78.624,910 157.51,911 164.795,912 157.51,913 116.209,915 0.58,916 0.351,917 0.187,918 0.101,919 18,920 9,921 0.13,922 6,923 1,924 1.125,925 3.762,926 210.725,927 0.125,928 16,929 122.211,933 18.075,934 7.661,935 3.937,936 1.281,937 157.51,938 10.133,939 8.041,943 2.497,945 65.794,946 438.515,947 37.5,951 12.276,954 -0.479,956 44.902,957 49.737,958 0.308,959 0.685,960 0.804,961 0.894,962 0.902,963 0.91,964 4.877,965 1.439,966 5.746,967 4.206,968 4.369,969 4.977,970 2.374,971 6.553,972 4.272,973 6.106,974 1.008,975 7.31,976 3.708,977 4.007,978 4.902,980 7.445,981 3.892,982 7.428,983 0.71,984 8.968,985 2.565,986 5.969,987 7.252,988 3.06,989 10.504,990 5.801,991 8.787,992 0.519,993 10.68,994 1.448,995 6.382,996 7.96,998 12.174,999 6.193,1000 10.173,1001 0.323,1002 12.424,1003 1.049,1004 7.83,1005 9.815,1006 4.023,1007 14.756,1008 7.605,1009 11.579,1010 -0.033,1011 14.191,1012 0.436,1013 8.603,1014 10.901,1016 16.763,1017 8.352,1018 13.001,1019 -0.442,1020 15.975,1021 -0.08,1022 9.844,1023 12.548,1024 5.08,1025 19.169,1026 9.564,1027 3.079,1028 -0.506,1029 17.771,1030 -0.897,1031 10.79,1032 13.832,1034 21.331,1035 10.481,1036 2.959,1037 10.175,1038 19.576,1039 -1.151,1040 11.946,1041 15.386,1042 6.163,1043 23.668,1044 11.61,1045 2.583,1046 9.347,1047 21.39,1048 4.491,1049 12.975,1050 16.771,1052 25.901,1053 12.61,1054 2.382,1055 8.099,1056 23.21,1057 3.97,1058 14.097,1059 18.285,1060 7.254,1061 28.213,1062 13.705,1063 2.043,1064 6.872,1065 25.036,1066 3.267,1067 15.166,1068 19.722,1070 30.481,1071 14.744,1072 1.962,1073 5.803,1074 26.867,1075 3.193,1076 16.276,1077 21.22,1078 8.346,1079 32.784,1080 15.827,1081 1.613,1082 5.756,1083 28.701,1084 2.811,1085 17.365,1086 22.684,1088 35.07,1089 16.886,1090 7989,1091 14378,1092 18.205,1093 29.171,1094 41.334,1095 43.323,1096 43.517,1097 41.156,1098 41.241,1099 55.318,1100 8.167,1101 118.929,1102 39.049,1103 5.412,1104 5.67,1105 6.055,1106 5.121,1107 5.079,1108 7.491,1109 3.455,1110 17.069,1111 4.989,1112 14.891,1113 1.476,1114 1.547,1115 1.554,1116 1.47,1117 1.473,1118 1.976,1119 0.292,1120 4.247,1121 1.395,1122 4.071,1123 4.103,1124 4.04,1125 3.981,1126 7.433,1127 3.991,1128 3.933,1129 3.941,1130 3.894,1131 3.843,1132 5.308,1133 3.852,1134 3.555,1135 3.602,1136 3.494,1137 3.349,1138 4.982,1139 3.378,1140 3.364,1141 3.386,1142 3.305,1143 3.104,1144 4.923,1145 3.149,1146 3.247,1147 3.314,1148 3.051,1149 2.954,1150 4.71,1151 2.962,1152 3.159,1153 3.238,1154 3.028,1155 2.939,1156 4.496,1157 2.947,1158 3.126,1159 3.217,1160 2.976,1161 2.85,1162 4.413,1163 2.871,1164 2.938,1165 2.993,1166 2.795,1167 2.731,1168 4.234,1169 2.734,1170 0.162,1171 0.131,1172 0.232,1173 0.145,1174 0.11,1175 4.541,1176 0.16,1177 3.67,1178 0.062,1179 6.502,1180 0.363,1181 4.049,1182 0.107,1183 3.079,1184 4.491,1185 1.727,1186 10.175,1187 2.989,1188 2.016,1189 1.991,1190 2.083,1191 2.127,1192 1.22,1193 2.113,1194 1.885,1195 1.874,1196 1.968,1197 1.998,1198 1.072,1199 1.985,1200 1.463,1201 1.416,1202 1.607,1203 1.707,1204 0.699,1205 1.68,1206 1.248,1207 1.215,1208 1.576,1209 1.546,1210 0.575,1211 1.543,1212 1.191,1213 1.115,1214 1.564,1215 1.523,1216 0.574,1217 1.538,1218 1.104,1219 1.041,1220 1.353,1221 1.387,1222 0.336,1223 1.377,1224 1.033,1225 0.957,1226 1.289,1227 1.382,1228 0.185,1229 1.37,1230 0.895,1231 0.832,1232 1.13,1233 1.131,1234 0.102,1235 1.122,1236 4.043,1238 5.361,1240 6.882,1242 8.497,1244 10.16,1246 3.028,1250 11.447,1252 0.076,1254 15.699,1262 28.632,1263 74.098,1264 164.441,1265 193.195,1266 214.705,1267 216.705,1268 218.705,1269 45.893,1270 7.194,1271 122.58,1272 122.58,1273 18,1274 12.393,1275 4.248,1276 3.392,1277 44.623,1278 108,1279 94,1280 0.205,1281 178.068,1282 305.58,1283 426.246,1284 12836,1286 18.681,1287 0.719,1288 0.552,1289 18.681,1290 14.353,1291 12.512,1292 0.447,1293 0.276,1294 7.543,1295 11.812,1296 7.325,1297 6.123,1298 12.512,1299 7.723,1300 11.121,1301 0.285,1302 0.14,1303 11.121,1304 5.464,1305 9.431,1306 0.185,1307 0.074,1308 9.431,1309 3.796,1310 7.685,1311 0.12,1312 0.039,1313 7.685,1314 2.503,1315 6.112,1316 0.076,1317 0.021,1318 6.112,1319 1.653,1320 0.328,1321 80.18,1322 0.234,1323 25.346,1324 0.545,1325 134,1326 472.857,1327 152.008,1328 445.035,1329 600.94,1330 416,1331 157,1332 435.506,1333 174.4,1334 441.722,1335 642.58,1336 410,1337 6.959}
{0 CHEMBL310880,1 1.597,2 9.913,3 2.896,4 8.389,5 93.701,6 8.221,7 0.68,8 3.799,9 3.937,10 3.443,11 3.333,12 4.978,13 3.32,14 4.277,15 4.468,16 3.833,17 3.714,18 5.431,19 3.681,20 4.459,21 4.63,22 3.911,23 3.88,24 5.559,25 3.825,26 4.626,27 4.846,28 3.812,29 3.89,30 5.72,31 3.79,32 4.692,33 4.968,34 3.608,35 3.814,36 5.645,37 3.691,38 4.539,39 4.814,40 3.527,41 3.715,42 5.465,43 3.567,44 4.391,45 4.649,46 3.402,47 3.581,48 5.361,49 3.44,50 4.211,51 4.478,52 3.317,53 3.38,54 5.25,55 3.264,56 0.056,57 0.644,58 7.302,59 2.984,60 10.65,61 4.041,62 0.233,63 0.968,64 14.289,65 5.263,66 22.359,67 7.225,68 0.153,69 1.138,70 17.969,71 6.301,72 17.575,73 8.562,74 0.307,75 1.253,76 22.62,77 7.965,78 36.873,79 11.155,80 0.397,81 1.231,82 25.783,83 7.507,84 45.875,85 11.21,86 0.305,87 1.023,88 22.712,89 7.638,90 34.383,91 11.017,92 0.252,93 0.852,94 24.216,95 6.786,96 32.394,97 9.529,98 0.227,99 0.745,100 16.31,101 4.838,102 29.918,103 7.029,104 26,105 36,106 0.282,107 0.674,108 0.801,109 0.837,110 0.837,111 0.837,112 3.189,113 0.897,114 -4.65,115 -4.57,116 -4.3,119 40,120 1,124 1,125 1,139 4,140 3,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 5,169 2,170 7,172 3,173 3,175 1,178 7,180 1,182 6,187 1,189 4,191 1,192 2,193 7,195 3,196 3,197 1,198 3,200 2,201 2,204 3,205 1,207 1,212 1,215 4,218 1,220 2,221 2,223 1,224 1,226 2,229 6,231 2,234 2,241 5,246 4,248 1,249 1,251 2,254 1,256 2,260 5,265 2,268 2,270 2,273 689,274 15.085,275 15.085,276 15.085,277 15.085,278 15.085,279 12.924,280 19.01,281 8.648,282 15.557,283 12.289,284 12.289,285 12.289,286 12.289,287 12.289,288 9.102,289 25.835,290 4.094,291 13.118,292 3.725,293 1.509,294 0.788,295 0.588,296 0.588,297 0.588,298 3.864,299 1,300 1,301 1,302 1,303 486,304 2.828,307 191.131,311 100.256,314 1.403,315 18.145,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49.333,327 228,328 4.656,329 3.337,330 6.837,331 4.19,332 3.217,333 4.616,334 0.916,335 11.242,336 3.134,337 4.122,338 3.086,339 6.075,340 3.776,341 2.831,342 3.674,343 0.172,344 8.762,345 2.671,346 3.897,347 2.862,348 5.756,349 3.468,350 2.515,351 3.409,353 7.712,354 2.396,355 3.567,356 2.621,357 5.1,358 3.143,359 2.257,360 2.868,362 6.06,363 1.961,364 3.451,365 2.181,366 5.033,367 2.963,368 2.034,369 2.852,371 5.867,372 1.862,373 3.363,374 2.046,375 4.991,376 2.89,377 1.965,378 2.68,380 5.774,381 1.803,382 2.718,383 1.694,384 4.316,385 2.351,386 1.406,387 1.788,389 3.767,390 1.315,391 2.515,392 1.42,393 3.98,394 2.149,395 1.218,396 1.518,398 3.134,399 1.113,400 2.5,401 1,402 3.414,403 2,404 1,405 1.5,407 2.275,408 1,409 1.6,410 0.633,411 3.049,412 1.255,413 0.317,414 0.386,415 0.774,416 0.294,417 1.198,418 0.334,419 2.822,420 0.838,421 -0.109,422 -0.135,423 -0.285,424 -0.103,425 1.079,426 0.112,427 2.659,428 0.612,429 -0.232,430 -0.285,431 -0.511,432 -0.159,433 0.935,434 -0.255,435 2.404,436 0.489,437 -0.415,438 -0.533,439 -1.091,440 -0.374,441 0.548,442 -0.363,443 2,444 0.273,445 -0.647,446 -0.734,448 -1.564,449 -0.592,450 0.5,451 -0.746,452 2,454 -0.936,455 -1.15,457 -2.399,458 -0.86,459 11.114,460 0.483,461 0.72,462 0.031,463 33,464 1.435,465 17.5,466 0.761,467 15.5,468 0.674,469 16.799,470 0.73,471 24.286,472 0.607,473 22.983,474 0.999,475 6.539,476 0.284,477 4.413,478 0.192,479 0.226,481 0.396,485 0.972,486 1.357,487 0.642,488 0.908,489 1.145,490 0.846,491 0.698,492 0.826,493 0.594,494 0.688,495 0.42,496 0.695,497 1.093,498 1.36,499 1.016,500 1.161,501 0.899,502 1.1,503 0.705,504 1.152,505 0.94,506 1.242,507 0.64,508 1.231,509 1.034,510 0.916,511 0.798,512 0.891,513 1.095,514 1.001,515 0.693,516 0.795,517 0.757,518 0.904,519 0.821,520 0.989,521 1.112,522 0.989,523 1.315,524 1.138,525 1.083,526 1.07,527 1.065,528 0.915,529 0.843,530 0.841,531 1.165,532 0.93,533 5.5,534 0.124,535 3.111,536 2.125,537 1.791,538 0.785,539 0.465,540 0.342,541 0.254,542 0.107,543 5409,544 16837,545 2.016,546 42.5,547 3,548 9,550 1,551 4,555 1.657,556 1.84,557 3.255,558 1.865,559 1,560 1,562 1,564 63.88,565 1.597,566 3.813,567 4.534,568 4.734,569 4.734,570 4.734,571 2.699,572 4.056,573 4.495,574 3.373,575 853.404,576 7.737,577 9515.94,578 1,579 1,580 1,581 1,582 212.877,583 1.538,584 4.428,585 0.22,586 0.014,587 0.086,588 0.056,589 0.054,590 0.03,591 0.02,592 0.016,593 0.014,594 0.007,595 0.518,596 0.17,597 1,598 0.675,599 107.02,600 -0.155,601 -0.139,602 0.004,603 0.018,604 -0.274,605 0.04,606 0.194,607 0.299,608 0.163,609 0.25,610 0.294,611 0.227,612 -0.19,613 -0.249,614 -0.156,615 -0.193,616 -0.124,617 -0.172,618 0.141,619 -0.129,620 -0.136,621 -0.29,622 0.168,623 -0.274,624 -0.154,625 0.046,626 -0.06,627 0.012,628 -0.196,629 -0.044,630 0.083,631 0.115,632 0.064,633 0.071,634 -0.01,635 0.027,636 -0.132,637 -0.113,638 -0.142,639 -0.094,640 -0.114,641 -0.034,642 -0.105,643 0.037,644 0.035,645 0.094,646 -0.118,647 0.037,648 1.534,649 1.986,650 0.696,651 17.433,652 1.006,653 1.136,654 3.424,655 11.722,656 0.687,657 3.258,658 3.611,659 3.871,660 4.127,661 4.344,662 4.382,663 4.382,664 4.466,665 4.564,666 4.477,667 5.622,668 0.653,669 328.84,670 3.258,671 4.812,672 5.666,673 6.555,674 7.426,675 8.318,676 9.195,677 10.089,678 10.97,679 11.866,680 15,684 2,686 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,714 1,717 1,718 40,719 17,720 1,721 25,723 42,724 16,725 13,726 2,727 4,729 3,730 4,731 1,734 1,741 13,742 3,753 1,754 1,757 17,758 6,759 4,760 7,761 1,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 2,807 1,810 23,811 2,816 1,821 1,828 1,836 12.5,837 7.776,838 4.972,839 2.133,840 3.278,841 1.471,842 1.005,843 4.242,844 10.237,845 3.541,846 4.22,847 4.836,848 5.447,849 6.027,850 6.291,851 6.583,852 6.953,853 7.338,854 7.401,855 0.857,856 38,857 8.405,859 3.505,860 7.758,861 15.895,863 12.745,865 2.258,866 51.944,869 1,870 153.024,871 87.423,872 119.275,873 39.149,877 87.423,878 192.173,879 119.275,880 17.222,881 2.106,882 103.699,883 62.128,884 29.089,885 4.227,886 141.253,887 39.149,888 153.024,889 206.699,891 39.149,893 154.74,897 21.877,898 132.749,899 89.505,901 153.024,902 119.275,903 126.572,906 153.024,907 23.249,908 67.298,910 155.3,911 153.024,912 119.275,913 126.572,915 0.595,916 0.348,917 0.185,918 0.101,919 18,920 9,921 0.071,922 3,923 1,924 1.125,925 3.429,926 184.563,927 0.125,928 16,929 100.042,933 15.779,934 6.183,935 3.161,936 1.27,937 119.275,938 9.492,939 12.525,943 4.327,945 65.794,946 398.872,947 33.5,956 40.236,957 45.425,958 0.3,959 0.716,960 0.852,961 0.89,962 0.89,963 0.89,964 4.781,965 1.218,966 5.68,967 3.767,968 4.29,969 4.905,970 0.918,971 6.512,972 4.172,973 6.027,974 1,975 7.261,976 3.134,977 4.007,978 4.856,979 0.325,980 7.455,981 3.813,982 7.357,983 0.317,984 8.938,985 2.275,986 5.911,987 7.203,988 0.671,989 10.56,990 5.705,991 8.722,992 -0.109,993 10.67,994 0.774,995 6.382,996 7.933,997 0.393,998 12.318,999 6.13,1000 10.115,1001 -0.232,1002 12.438,1003 -0.285,1004 7.811,1005 9.799,1006 0.533,1007 14.973,1008 7.544,1009 11.53,1010 -0.415,1011 14.232,1012 -0.511,1013 8.636,1014 10.921,1015 0.384,1016 17.096,1017 8.342,1018 12.962,1019 -0.647,1020 16.046,1021 -1.091,1022 9.882,1023 12.586,1024 0.438,1025 19.594,1026 9.57,1027 3.217,1028 -0.936,1029 17.877,1030 -1.564,1031 10.877,1032 13.913,1033 0.351,1034 21.881,1035 10.545,1036 2.831,1037 11.242,1038 19.721,1039 -2.399,1040 12.054,1041 15.492,1042 0.366,1043 24.322,1044 11.702,1045 2.515,1046 8.762,1047 21.576,1048 4.616,1049 13.131,1050 16.922,1051 0.312,1052 26.682,1053 12.76,1054 2.257,1055 7.712,1056 23.441,1057 3.674,1058 14.286,1059 18.466,1060 0.309,1061 29.105,1062 13.894,1063 2.034,1064 6.06,1065 25.315,1066 3.409,1067 15.403,1068 19.947,1069 0.273,1070 31.496,1071 14.991,1072 1.965,1073 5.867,1074 27.195,1075 2.868,1076 16.552,1077 21.478,1078 0.262,1079 33.914,1080 16.12,1081 1.406,1082 5.774,1083 29.081,1084 2.852,1085 17.689,1086 22.983,1087 0.236,1088 36.319,1089 17.236,1090 5311,1091 9479,1092 16.126,1093 27.461,1094 37.978,1095 38.099,1096 39.503,1097 37.728,1098 37.519,1099 50.584,1100 2.178,1101 110.735,1102 35.097,1103 5.486,1104 5.337,1105 6.251,1106 5.265,1107 5.217,1108 7.616,1109 1.605,1110 18.517,1111 5.134,1112 13.196,1113 1.519,1114 1.524,1115 1.58,1116 1.509,1117 1.501,1118 2.023,1119 0.087,1120 4.429,1121 1.404,1122 4.074,1123 4.115,1124 4.058,1125 3.963,1126 5.321,1127 3.978,1128 3.905,1129 3.937,1130 3.981,1131 3.835,1132 4.982,1133 3.831,1134 3.563,1135 3.628,1136 3.548,1137 3.38,1138 4.944,1139 3.4,1140 3.329,1141 3.417,1142 3.362,1143 3.111,1144 4.805,1145 3.117,1146 3.163,1147 3.261,1148 3.052,1149 2.93,1150 4.401,1151 2.94,1152 3.023,1153 3.153,1154 3.007,1155 2.735,1156 4.178,1157 2.724,1158 2.877,1159 2.986,1160 2.813,1161 2.707,1162 4.027,1163 2.715,1164 2.854,1165 2.925,1166 2.687,1167 2.667,1168 3.925,1169 2.652,1170 0.186,1171 0.133,1172 0.273,1173 0.168,1174 0.129,1175 4.656,1176 0.185,1177 3.337,1178 0.037,1179 6.837,1180 0.45,1181 4.19,1182 0.125,1183 3.217,1184 4.616,1185 0.916,1186 11.242,1187 3.134,1188 2,1189 1.969,1190 2.067,1191 2.134,1192 1.243,1193 2.114,1194 1.881,1195 1.855,1196 1.97,1197 1.981,1198 1.077,1199 1.986,1200 1.5,1201 1.438,1202 1.679,1203 1.716,1204 0.799,1205 1.712,1206 1.289,1207 1.202,1208 1.579,1209 1.55,1210 0.564,1211 1.57,1212 1.119,1213 1.03,1214 1.447,1215 1.4,1216 0.535,1217 1.409,1218 0.946,1219 0.827,1220 1.263,1221 1.337,1222 0.218,1223 1.341,1224 0.886,1225 0.821,1226 1.194,1227 1.164,1228 0.157,1229 1.192,1230 0.863,1231 0.757,1232 1.181,1233 1.062,1234 0.033,1235 1.107,1236 3.932,1238 5.273,1240 6.812,1242 8.447,1244 10.131,1246 4.001,1247 5.931,1250 11.606,1252 0.681,1257 2.112,1262 26.117,1263 63.88,1264 152.513,1265 181.367,1266 189.367,1267 189.367,1268 189.367,1269 31.591,1270 6.959,1271 93.95,1272 93.95,1273 18,1274 12.394,1275 4.17,1276 3.248,1277 36.897,1278 77,1279 83,1280 0.238,1281 167.747,1282 275.67,1283 401.063,1284 8947,1285 2.5,1286 16.56,1287 0.72,1288 0.594,1289 17.06,1290 13.671,1291 10.952,1292 0.438,1293 0.299,1294 7.025,1295 10.273,1296 6.736,1297 5.632,1298 11.241,1299 7.471,1300 10.321,1301 0.287,1302 0.162,1303 10.729,1304 5.843,1305 8.479,1306 0.18,1307 0.086,1308 8.768,1309 4.061,1310 7.147,1311 0.117,1312 0.044,1313 7.314,1314 2.661,1315 5.489,1316 0.072,1317 0.023,1318 5.703,1319 1.75,1320 0.369,1321 71.397,1322 0.249,1323 22.423,1324 0.665,1325 122,1326 341.408,1327 147.76,1328 372.259,1329 506.18,1330 346,1331 144,1332 361.116,1333 164.083,1334 381.106,1335 554.17,1336 356,1337 6.77}
{0 CHEMBL311176,1 1.426,2 9.917,3 1.459,4 2.129,5 101.916,6 6.683,7 0.462,8 3.98,9 4.144,10 3.445,11 3.427,12 5.048,13 3.403,14 4.513,15 4.739,16 3.804,17 3.828,18 5.496,19 3.777,20 4.749,21 4.983,22 3.899,23 4.036,24 5.685,25 3.955,26 4.874,27 5.12,28 3.888,29 4.105,30 5.819,31 3.986,32 4.954,33 5.229,34 3.77,35 4.068,36 5.9,37 3.931,38 4.896,39 5.205,40 3.568,41 3.907,42 5.804,43 3.735,44 4.658,45 4.978,46 3.327,47 3.649,48 5.491,49 3.483,50 4.382,51 4.662,52 3.219,53 3.479,54 5.277,55 3.343,56 0.074,57 0.777,58 11.784,59 3.563,60 12.964,61 5.961,62 0.267,63 1.177,64 20.816,65 6.272,66 24.868,67 10.188,68 0.281,69 1.432,70 26.377,71 8.05,72 24.631,73 13.14,74 0.227,75 1.524,76 29.718,77 9.889,78 34.771,79 15.752,80 0.334,81 1.512,82 33.009,83 9.063,84 50.792,85 15.633,86 0.398,87 1.292,88 31.523,89 8.965,90 57.603,91 15.022,92 0.341,93 0.995,94 24.981,95 6.818,96 37.696,97 11.593,98 0.193,99 0.837,100 18.555,101 5.16,102 27.869,103 8.836,104 27,105 37,106 0.245,107 0.586,108 0.753,109 0.831,110 0.831,111 0.831,112 3.229,113 0.951,114 -3.24,115 -3.23,116 -3.1,119 34.7,120 1,121 1,124 1,125 4,139 3,140 2,141 2,143 1,144 1,147 1,157 3,158 3,159 3,166 5,169 1,170 4,172 3,173 3,175 2,178 5,180 2,181 1,182 5,184 1,185 1,187 3,189 4,191 3,193 6,195 1,196 1,197 1,198 7,200 2,201 3,204 7,205 1,207 5,212 4,215 3,218 4,221 2,223 3,224 3,225 1,226 3,228 2,229 1,231 3,232 1,233 2,234 2,236 1,237 1,239 2,243 2,246 2,250 1,253 2,258 1,262 1,263 1,273 742,274 15.955,275 15.955,276 15.955,277 15.955,278 15.955,279 14.437,280 23.187,281 9.184,282 16.375,283 12.737,284 12.737,285 12.737,286 12.737,287 12.737,288 10.396,289 31.859,290 4.249,291 13.425,292 4.188,293 2.199,294 1.22,295 0.766,296 0.766,297 0.766,298 3.905,300 1,301 1,302 1,303 504,304 2.345,307 239.076,314 1.604,315 18.867,317 1,318 0.75,319 0.83,320 0.83,321 0.9,322 1,323 0.83,324 1,325 0.88,326 51.5,327 238,328 4.538,329 3.285,330 6.773,331 4.157,332 3.182,333 4.257,334 0.8,335 11.084,336 3.108,337 4.251,338 3.171,339 6.446,340 3.914,341 2.965,342 3.832,343 0.8,344 9.929,345 2.816,346 3.692,347 2.71,348 5.408,349 3.391,350 2.455,351 3.047,353 6.963,354 2.296,355 3.447,356 2.422,357 5.157,358 3.195,359 2.266,360 2.565,362 6.273,363 2.103,364 3.3,365 2.234,366 5.038,367 2.938,368 1.992,369 2.531,371 5.71,372 1.88,373 3.159,374 2.139,375 4.893,376 2.841,377 1.915,378 2.314,380 5.462,381 1.77,382 2.942,383 1.779,384 4.671,385 2.596,386 1.639,387 2.06,389 4.621,390 1.563,391 2.567,392 1.327,393 3.948,394 2.211,395 1.235,396 1.582,398 3.19,399 1.203,400 2,401 1.146,402 3.414,403 1.967,404 1,405 1,407 2.275,408 0.965,409 1.722,410 0.67,411 3.331,412 1.536,413 0.554,414 0.624,415 1.075,416 0.543,417 1.36,418 0.274,419 2.781,420 1.103,421 0.147,422 0.168,423 0.298,424 0.14,425 1.123,426 0.038,427 2.668,428 0.837,429 -0.107,430 -0.125,431 -0.256,432 -0.101,433 0.826,434 -0.198,435 2.414,436 0.539,437 -0.413,438 -0.466,439 -0.954,440 -0.392,441 0.77,442 -0.305,443 2.259,444 0.438,445 -0.478,446 -0.587,448 -1.148,449 -0.437,450 0.601,451 -0.6,452 2.106,453 0.231,454 -0.734,455 -0.906,457 -1.828,458 -0.705,459 11.3,460 0.471,461 0.682,462 0.028,463 30.25,464 1.26,465 14,466 0.583,467 16.25,468 0.677,469 20.076,470 0.836,471 27.1,472 0.553,473 22.235,474 0.926,475 5.829,476 0.243,477 5.661,478 0.236,479 0.195,481 0.381,485 1.228,486 1.527,487 0.952,488 1.149,489 1.365,490 1.031,491 0.951,492 1.007,493 0.839,494 0.882,495 0.424,496 0.85,497 1.09,498 1.072,499 1.02,500 1.018,501 0.812,502 1.011,503 0.716,504 1.267,505 0.989,506 1.266,507 0.665,508 1.18,509 1.206,510 1.14,511 1.155,512 1.124,513 1.399,514 1.131,515 0.838,516 0.936,517 0.977,518 1.017,519 1.041,520 1.016,521 0.903,522 0.789,523 0.907,524 0.844,525 1.021,526 0.871,527 1.022,528 1.164,529 1.063,530 1.138,531 1.12,532 1.111,533 5.5,534 0.148,535 3.111,536 2.438,537 1.6,538 0.979,539 0.726,540 0.337,541 0.18,542 0.122,543 5920,544 13390,545 2.015,546 51,547 3,548 14,551 6,552 2,555 1.67,556 1.846,557 3.24,558 3.554,559 1,560 1,564 69.886,565 1.426,566 3.415,567 4.395,568 4.849,569 4.849,570 4.849,571 2.709,572 4.022,573 4.555,574 3.396,575 937.325,576 7.864,577 10750.6,579 1,581 1,582 275.121,583 1.528,584 4.493,585 0.212,586 0.012,587 0.084,588 0.061,589 0.042,590 0.031,591 0.029,592 0.017,593 0.01,594 0.008,595 0.505,596 0.33,597 1,598 0.854,599 113.15,600 -0.157,601 -0.173,602 0.03,603 0.001,604 -0.246,605 0.036,606 0.125,607 0.174,608 0.151,609 0.176,610 0.272,611 0.168,612 -0.093,613 0.08,614 -0.044,615 0.047,616 -0.027,617 0.014,618 0.065,619 -0.192,620 -0.042,621 -0.173,622 0.158,623 -0.129,624 -0.2,625 -0.124,626 -0.175,627 -0.136,628 -0.201,629 -0.15,630 0.097,631 -0.031,632 -0.002,633 -0.063,634 0.054,635 -0.048,636 0.076,637 0.086,638 0.077,639 0.082,640 -0.012,641 0.08,642 -0.044,643 -0.174,644 -0.086,645 -0.153,646 -0.07,647 -0.129,648 1.463,649 2.334,650 0.75,651 19.507,652 0.993,653 1.147,654 2.01,655 4.04,656 0.63,657 3.296,658 3.638,659 3.912,660 4.19,661 4.394,662 4.443,663 4.511,664 4.585,665 4.605,666 4.673,667 5.723,668 0.59,669 327.49,670 3.296,671 4.844,672 5.7,673 6.592,674 7.465,675 8.36,676 9.238,677 10.135,678 11.017,679 11.914,680 14.3,683 1,684 3,686 1,690 2,695 3,696 2,700 7,702 12,711 3,714 1,718 49,719 12,720 1,721 26,723 51,724 17,725 10,726 3,727 3,729 3,730 3,734 1,739 1,741 10,742 7,753 1,754 1,757 25,758 7,759 6,760 7,764 7,769 1,776 1,781 3,799 1,802 3,806 2,810 24,811 3,816 5,821 2,836 13,837 9.05,838 5.306,839 2.919,840 2.328,841 1.332,842 0.994,843 4.896,844 9.333,845 3.497,846 4.094,847 4.659,848 5.236,849 5.758,850 6.037,851 6.364,852 6.716,853 6.966,854 7.245,855 0.857,856 40,857 8.839,859 3.677,860 7.632,861 17.109,863 13.942,865 2.132,866 51.167,870 223.651,871 75.476,872 138.511,877 75.476,878 223.651,879 138.511,880 17.222,881 10.957,882 127.12,883 33.571,884 20.89,885 4.227,886 223.651,888 223.651,889 213.987,893 223.651,897 27.563,898 152.854,899 33.571,901 223.651,902 138.511,903 75.476,906 223.651,907 29.826,908 51.899,910 132.263,911 223.651,912 138.511,913 75.476,915 0.586,916 0.35,917 0.195,918 0.106,919 18,920 9,921 0.059,922 3,924 1,925 3.488,926 196.722,928 18,929 106.039,933 16.957,934 6.93,935 3.485,937 138.511,938 6.053,939 8.406,943 5.006,945 98.692,946 437.638,947 32,956 48.665,957 56.225,958 0.254,959 0.608,960 0.783,961 0.864,962 0.864,963 0.864,964 4.754,965 1.235,966 5.707,967 4.621,968 4.317,969 4.779,970 1.072,971 6.544,972 4.22,973 5.962,974 1,975 7.287,976 3.19,977 4.007,978 4.677,979 0.57,980 7.509,981 3.854,982 7.278,983 0.554,984 8.965,985 2.275,986 5.938,987 6.961,988 0.653,989 10.615,990 5.757,991 8.626,992 0.147,993 10.699,994 1.075,995 6.399,996 7.636,997 0.479,998 12.407,999 6.18,1000 10.006,1001 -0.107,1002 12.471,1003 0.298,1004 7.84,1005 9.451,1006 0.432,1007 15.049,1008 7.595,1009 11.409,1010 -0.413,1011 14.27,1012 -0.256,1013 8.663,1014 10.498,1015 0.346,1016 17.19,1017 8.392,1018 12.829,1019 -0.478,1020 16.089,1021 -0.954,1022 9.913,1023 12.113,1024 0.291,1025 19.668,1026 9.616,1027 3.182,1028 -0.734,1029 17.924,1030 -1.148,1031 10.906,1032 13.347,1033 0.237,1034 21.954,1035 10.588,1036 2.965,1037 11.084,1038 19.772,1039 -1.828,1040 12.082,1041 14.868,1042 0.195,1043 24.372,1044 11.739,1045 2.455,1046 9.929,1047 21.631,1048 4.257,1049 13.154,1050 16.197,1051 0.158,1052 26.717,1053 12.79,1054 2.266,1055 6.963,1056 23.497,1057 3.832,1058 14.303,1059 17.673,1060 0.129,1061 29.114,1062 13.916,1063 1.992,1064 6.273,1065 25.371,1066 3.047,1067 15.411,1068 19.052,1069 0.104,1070 31.484,1071 15.003,1072 1.915,1073 5.71,1074 27.249,1075 2.565,1076 16.552,1077 20.506,1078 0.084,1079 33.875,1080 16.121,1081 1.639,1082 5.462,1083 29.133,1084 2.531,1085 17.677,1086 21.912,1087 0.068,1088 36.257,1089 17.225,1090 5849,1091 8920,1092 16.819,1093 30.893,1094 38.88,1095 38.693,1096 41.235,1097 38.798,1098 38.698,1099 47.958,1100 3.2,1101 113.762,1102 36.772,1103 5.538,1104 5.285,1105 6.295,1106 5.228,1107 5.182,1108 7.257,1109 1.2,1110 18.041,1111 5.108,1112 13.731,1113 1.495,1114 1.488,1115 1.586,1116 1.492,1117 1.488,1118 1.845,1119 0.123,1120 4.375,1121 1.414,1122 4.033,1123 4.074,1124 3.992,1125 3.942,1126 5.288,1127 3.949,1128 3.842,1129 3.908,1130 3.776,1131 3.666,1132 5.096,1133 3.685,1134 3.693,1135 3.756,1136 3.592,1137 3.527,1138 4.978,1139 3.533,1140 3.392,1141 3.485,1142 3.204,1143 3.192,1144 4.544,1145 3.184,1146 3.199,1147 3.3,1148 3.063,1149 2.956,1150 4.411,1151 2.968,1152 3.111,1153 3.213,1154 2.925,1155 2.941,1156 4.303,1157 2.91,1158 3.094,1159 3.206,1160 2.866,1161 2.828,1162 3.966,1163 2.836,1164 3.019,1165 3.132,1166 2.857,1167 2.781,1168 3.851,1169 2.784,1170 0.175,1171 0.126,1172 0.26,1173 0.16,1174 0.122,1175 4.538,1176 0.164,1177 3.285,1178 0.031,1179 6.773,1180 0.426,1181 4.157,1182 0.12,1183 3.182,1184 4.257,1185 0.8,1186 11.084,1187 3.108,1188 1.975,1189 1.947,1190 2.065,1191 2.095,1192 1.309,1193 2.088,1194 1.784,1195 1.724,1196 1.96,1197 1.994,1198 1.175,1199 1.985,1200 1.654,1201 1.592,1202 1.847,1203 1.839,1204 1.001,1205 1.84,1206 1.382,1207 1.296,1208 1.625,1209 1.633,1210 0.825,1211 1.654,1212 1.17,1213 1.069,1214 1.531,1215 1.456,1216 0.665,1217 1.484,1218 1.153,1219 1.064,1220 1.513,1221 1.376,1222 0.577,1223 1.429,1224 1.016,1225 0.924,1226 1.288,1227 1.376,1228 0.253,1229 1.362,1230 0.963,1231 0.874,1232 1.259,1233 1.297,1234 0.189,1235 1.3,1236 3.97,1238 5.303,1240 6.841,1242 8.473,1244 10.154,1246 4.159,1250 18.129,1252 4.771,1257 4.643,1262 28.891,1263 69.886,1264 167.346,1265 215.346,1266 237.611,1267 237.611,1268 237.611,1269 36.176,1270 7.005,1271 110.32,1272 110.32,1273 18,1274 12.441,1275 3.7,1276 2.807,1277 39.272,1278 83,1279 88,1280 0.24,1281 181.656,1282 304.94,1283 435,1284 9118,1286 17.267,1287 0.719,1288 0.595,1289 17.267,1290 14.288,1291 11.49,1292 0.442,1293 0.317,1294 8.121,1295 11.042,1296 7.871,1297 6.564,1298 11.49,1299 8.245,1300 10.534,1301 0.285,1302 0.168,1303 10.534,1304 6.206,1305 8.692,1306 0.177,1307 0.092,1308 8.692,1309 4.524,1310 7.54,1311 0.116,1312 0.049,1313 7.54,1314 3.162,1315 5.905,1316 0.074,1317 0.027,1318 5.905,1319 2.194,1320 0.371,1321 71.897,1322 0.244,1323 23.205,1324 0.677,1325 126,1326 306.517,1327 137.573,1328 308.067,1329 431.99,1330 288,1331 149,1332 332.746,1333 160.907,1334 340.904,1335 498.67,1336 320,1337 4.602}
{0 CHEMBL311293,1 1.404,2 11.615,3 3.053,4 9.32,5 110.999,6 6.97,7 0.643,8 3.991,9 4.144,10 3.485,11 3.519,12 5.123,13 3.487,14 4.464,15 4.656,16 3.814,17 3.893,18 5.534,19 3.826,20 4.714,21 4.943,22 3.885,23 4.027,24 5.708,25 3.943,26 4.772,27 5,28 3.855,29 4.044,30 5.792,31 3.938,32 4.87,33 5.129,34 3.756,35 4.035,36 5.855,37 3.908,38 4.866,39 5.166,40 3.628,41 3.938,42 5.804,43 3.782,44 4.676,45 4.974,46 3.493,47 3.776,48 5.604,49 3.63,50 4.485,51 4.755,52 3.34,53 3.642,54 5.455,55 3.503,56 0.08,57 0.78,58 11.136,59 4.002,60 14.177,61 5.916,62 0.184,63 1.174,64 18.494,65 7.251,66 23.498,67 10.462,68 0.212,69 1.414,70 24.683,71 8.377,72 27.635,73 12.756,74 0.216,75 1.476,76 26.113,77 9.063,78 35.573,79 13.74,80 0.287,81 1.54,82 29.785,83 9.03,84 47.844,85 14.313,86 0.353,87 1.423,88 30.633,89 9.639,90 55.995,91 15.103,92 0.305,93 1.185,94 25.254,95 8.074,96 41.91,97 12.551,98 0.21,99 1.018,100 20.344,101 6.504,102 35.651,103 10.121,104 18,105 38,106 0.237,107 0.584,108 0.746,109 0.859,110 0.868,111 0.868,112 3.304,113 0.93,114 -4.46,115 -4.39,116 -4.14,119 40,120 1,121 2,125 1,139 8,140 3,141 2,143 1,144 1,147 1,157 3,158 3,159 3,166 12,169 1,170 3,172 3,173 3,175 4,178 13,180 2,182 3,186 1,187 6,188 1,189 9,191 3,193 5,195 1,196 1,197 1,198 10,200 2,201 5,204 7,205 1,207 3,212 8,215 6,218 5,223 2,224 2,225 1,226 5,228 2,229 6,231 4,232 1,237 2,238 1,239 5,240 1,241 8,243 4,250 1,251 3,253 2,254 8,256 2,258 1,260 2,264 1,265 2,267 1,268 7,270 2,273 960,274 17.577,275 17.577,276 17.577,277 17.577,278 17.577,279 15.283,280 20.793,281 10.472,282 17.834,283 13.76,284 13.76,285 13.76,286 13.76,287 13.76,288 10.348,289 26.101,290 4.886,291 14.195,292 4.24,293 2.179,294 1.22,295 0.55,296 0.495,297 0.495,298 3.985,301 1,302 1,303 640,304 2.828,307 280.092,314 1.982,315 19.25,317 1,318 0.75,319 0.83,320 0.83,321 0.7,322 0.5,323 0.83,324 1,325 0.78,326 55,327 302,328 4.532,329 3.249,330 6.769,331 4.147,332 3.17,333 4.253,334 0.4,335 11.071,336 3.101,337 4.16,338 2.928,339 6.042,340 3.756,341 2.79,342 3.782,344 8.641,345 2.693,346 3.895,347 2.713,348 5.341,349 3.515,350 2.517,351 3.444,353 6.965,354 2.513,355 3.622,356 2.361,357 5.313,358 3.204,359 2.268,360 2.999,362 6.667,363 2.123,364 3.301,365 2.224,366 5.038,367 2.934,368 1.986,369 2.549,371 5.704,372 1.878,373 3.126,374 1.919,375 4.774,376 2.723,377 1.773,378 2.346,380 5.026,381 1.678,382 2.946,383 1.719,384 4.205,385 2.57,386 1.588,387 2.112,389 3.834,390 1.558,391 2.849,392 1.563,393 3.675,394 2.435,395 1.454,396 1.982,398 3.205,399 1.423,400 2.5,401 1.173,402 3.402,403 2.036,404 1.063,405 1.5,407 2.354,408 1.032,409 2.27,410 1,411 3.269,412 2,413 1,414 1.241,415 2.136,416 1,417 1.743,418 0.687,419 3.247,420 1.553,421 0.571,422 0.645,423 1.147,424 0.56,425 1.456,426 0.38,427 2.778,428 1.217,429 0.251,430 0.291,431 0.496,432 0.242,433 1.205,434 0.078,435 2.687,436 0.883,437 -0.063,438 -0.076,439 -0.153,440 -0.059,441 0.928,442 -0.111,443 2.419,444 0.613,445 -0.351,446 -0.42,448 -0.809,449 -0.337,450 0.826,451 -0.305,452 2.273,453 0.439,454 -0.478,455 -0.587,457 -1.148,458 -0.437,459 12.4,460 0.477,461 0.592,462 0.023,463 36.25,464 1.394,465 20,466 0.769,467 16.25,468 0.625,469 19.233,470 0.74,471 27.8,472 0.556,473 26.221,474 1.008,475 7.082,476 0.272,477 5.498,478 0.211,479 0.137,481 0.323,485 1.267,486 1.141,487 0.931,488 0.922,489 1.39,490 0.892,491 0.556,492 1.06,493 0.834,494 1.059,495 0.472,496 0.993,497 1.048,498 1.096,499 0.955,500 0.997,501 0.863,502 0.97,503 0.93,504 1.277,505 1.077,506 1.24,507 0.824,508 1.187,509 1.382,510 1.162,511 1.219,512 1.129,513 1.397,514 1.15,515 0.948,516 0.882,517 0.957,518 0.92,519 0.995,520 0.936,521 0.898,522 0.804,523 0.909,524 0.855,525 1.012,526 0.879,527 1.131,528 1.021,529 1.113,530 1.057,531 1.138,532 1.079,533 5,534 0.128,535 2.667,536 2.125,537 1.409,538 0.882,539 0.687,540 0.274,541 0.18,542 0.124,543 8274,544 19847,545 2.037,546 48,547 3,548 10,551 7,552 2,553 2,555 1.687,556 1.902,557 3.451,558 4.308,559 1,560 1,564 70.205,565 1.404,566 3.465,567 4.423,568 5.094,569 5.149,570 5.149,571 2.892,572 3.921,573 4.668,574 3.656,575 1188.18,576 8.071,577 15205.3,579 1,581 1,582 282.193,583 1.42,584 4.628,585 0.179,586 0.009,587 0.07,588 0.053,589 0.038,590 0.028,591 0.025,592 0.011,593 0.009,594 0.008,595 0.429,597 1,598 0.777,599 128.808,600 -0.212,601 0.102,602 -0.001,603 0.132,604 -0.295,605 0.098,606 0.298,607 0.062,608 0.097,609 0.005,610 0.247,611 0.023,612 -0.047,613 -0.029,614 0.008,615 0.008,616 -0.031,617 0.014,618 0.029,619 -0.224,620 -0.121,621 -0.232,622 0.078,623 -0.201,624 -0.241,625 -0.141,626 -0.232,627 -0.179,628 -0.23,629 -0.2,630 0.074,631 0.035,632 0.044,633 0.028,634 0.07,635 0.032,636 0.11,637 0.118,638 0.091,639 0.099,640 0.04,641 0.093,642 -0.095,643 -0.04,644 -0.129,645 -0.093,646 -0.074,647 -0.111,648 1.477,649 2.241,650 0.692,651 26.154,652 0.991,653 1.135,654 3.234,655 10.456,656 0.658,657 3.367,658 3.664,659 3.912,660 4.159,661 4.331,662 4.331,663 4.369,664 4.419,665 4.419,666 4.454,667 6.794,668 0.617,669 348.5,670 3.367,671 4.89,672 5.727,673 6.594,674 7.447,675 8.321,676 9.181,677 10.06,678 10.924,679 11.806,680 12,684 3,685 1,690 2,695 8,696 2,700 8,702 18,711 3,712 1,718 50,719 18,720 2,721 28,723 52,724 20,725 16,726 4,727 8,729 3,730 3,734 1,739 2,741 16,742 4,754 1,757 24,758 6,759 7,760 6,764 6,769 1,776 1,781 3,802 3,806 1,810 26,811 3,816 3,817 1,836 13.667,837 8.817,838 5.861,839 2.943,840 3.181,841 1.45,842 1.006,843 5.712,844 10.255,845 3.638,846 4.241,847 4.806,848 5.369,849 5.883,850 6.037,851 6.319,852 6.645,853 6.905,854 7.194,855 0.875,856 40,857 9.544,859 3.939,860 7.667,861 18.297,863 14.652,865 2.167,866 56.333,869 1,870 200.109,871 113.864,872 150.273,877 113.864,878 200.109,879 150.273,880 8.825,881 7.175,882 174.502,883 51.582,884 17.827,885 4.227,886 200.109,888 200.109,889 264.137,893 176.567,894 23.542,897 20.656,898 191.9,899 51.582,901 200.109,902 150.273,903 113.864,906 200.109,907 29.229,908 84.635,909 18.011,910 132.263,911 200.109,912 150.273,913 113.864,915 0.572,916 0.338,917 0.187,918 0.099,919 17,920 8,921 0.115,922 6,924 1,925 3.815,926 209.117,928 18,929 118.211,933 18.176,934 8.17,935 4.329,937 150.273,938 16.178,939 8.376,943 5.92,945 116.702,946 464.246,947 37,956 49.563,957 56.727,958 0.249,959 0.614,960 0.784,961 0.903,962 0.912,963 0.912,964 4.848,965 1.454,966 5.7,967 3.834,968 4.344,969 4.927,970 0.278,971 6.491,972 4.284,973 6.054,974 1.063,975 7.246,976 3.205,977 3.892,978 4.691,980 7.372,981 3.794,982 7.355,983 1,984 8.894,985 2.354,986 5.911,987 7.122,988 0.05,989 10.477,990 5.799,991 8.693,992 0.571,993 10.604,994 2.136,995 6.275,996 7.678,998 12.224,999 6.133,1000 10.062,1001 0.251,1002 12.355,1003 1.147,1004 7.763,1005 9.588,1006 0.008,1007 14.856,1008 7.607,1009 11.454,1010 -0.063,1011 14.135,1012 0.496,1013 8.523,1014 10.539,1016 16.979,1017 8.341,1018 12.863,1019 -0.351,1020 15.938,1021 -0.153,1022 9.791,1023 12.211,1024 0.001,1025 19.453,1026 9.594,1027 3.17,1028 -0.478,1029 17.758,1030 -0.809,1031 10.746,1032 13.375,1034 21.737,1035 10.525,1036 2.79,1037 11.071,1038 19.593,1039 -1.148,1040 11.926,1041 14.926,1043 24.158,1044 11.687,1045 2.517,1046 8.641,1047 21.44,1048 4.253,1049 12.975,1050 16.21,1052 26.509,1053 12.713,1054 2.268,1055 6.965,1056 23.297,1057 3.782,1058 14.122,1059 17.7,1061 28.915,1062 13.841,1063 1.986,1064 6.667,1065 25.162,1066 3.444,1067 15.217,1068 19.05,1070 31.295,1071 14.913,1072 1.773,1073 5.704,1074 27.035,1075 2.999,1076 16.355,1077 20.51,1079 33.696,1080 16.031,1081 1.588,1082 5.026,1083 28.913,1084 2.549,1085 17.473,1086 21.899,1088 36.088,1089 17.127,1090 8057,1091 12601,1092 18.493,1093 32.887,1094 41.086,1095 40.951,1096 42.563,1097 40.949,1098 40.861,1099 54.287,1100 0.8,1101 114.491,1102 39.6,1103 5.4,1104 5.249,1105 6.571,1106 5.217,1107 5.17,1108 7.253,1109 0.8,1110 17.961,1111 5.101,1112 13.004,1113 1.467,1114 1.463,1115 1.52,1116 1.462,1117 1.459,1118 1.939,1119 0.029,1120 4.089,1121 1.414,1122 4.026,1123 4.063,1124 3.986,1125 3.942,1126 5.288,1127 3.947,1128 3.91,1129 3.944,1130 3.836,1131 3.85,1132 5.1,1133 3.842,1134 3.775,1135 3.829,1136 3.725,1137 3.628,1138 4.978,1139 3.646,1140 3.427,1141 3.504,1142 3.275,1143 3.269,1144 4.753,1145 3.259,1146 3.39,1147 3.482,1148 3.204,1149 3.188,1150 4.543,1151 3.182,1152 3.119,1153 3.227,1154 3.005,1155 2.886,1156 4.392,1157 2.908,1158 3.019,1159 3.133,1160 2.858,1161 2.801,1162 4.095,1163 2.801,1164 2.925,1165 3.015,1166 2.779,1167 2.735,1168 3.965,1169 2.715,1170 0.162,1171 0.116,1172 0.242,1173 0.148,1174 0.113,1175 4.532,1176 0.152,1177 3.249,1178 0.014,1179 6.769,1180 0.395,1181 4.147,1182 0.111,1183 3.17,1184 4.253,1185 0.4,1186 11.071,1187 3.101,1188 1.97,1189 1.943,1190 2.07,1191 2.08,1192 1.242,1193 2.074,1194 1.915,1195 1.885,1196 2.031,1197 2.004,1198 1.183,1199 2.018,1200 1.722,1201 1.673,1202 1.876,1203 1.897,1204 1.019,1205 1.889,1206 1.431,1207 1.359,1208 1.699,1209 1.639,1210 0.872,1211 1.668,1212 1.375,1213 1.291,1214 1.612,1215 1.618,1216 0.603,1217 1.635,1218 1.036,1219 0.955,1220 1.29,1221 1.381,1222 0.284,1223 1.365,1224 0.971,1225 0.889,1226 1.262,1227 1.298,1228 0.218,1229 1.3,1230 0.886,1231 0.821,1232 1.181,1233 1.152,1234 0.189,1235 1.169,1236 4.043,1238 5.342,1240 6.845,1242 8.444,1244 10.094,1246 2.008,1250 18.018,1252 2.449,1253 3.385,1262 30.87,1263 70.205,1264 173.257,1265 221.173,1266 254.683,1267 257.438,1268 257.438,1269 40.758,1270 7.073,1271 115.87,1272 115.87,1273 18,1274 12.345,1275 4.248,1276 3.322,1277 44.585,1278 108,1279 106,1280 0.206,1281 194.856,1282 327.02,1283 467.209,1284 11034,1286 18.518,1287 0.712,1288 0.572,1289 18.518,1290 14.867,1291 12.58,1292 0.449,1293 0.31,1294 8.598,1295 12.273,1296 8.372,1297 7.014,1298 12.58,1299 8.677,1300 11.045,1301 0.291,1302 0.161,1303 11.045,1304 6.107,1305 9.049,1306 0.185,1307 0.087,1308 9.049,1309 4.276,1310 7.738,1311 0.123,1312 0.047,1313 7.738,1314 2.982,1315 5.899,1316 0.079,1317 0.026,1318 5.899,1319 1.94,1320 0.329,1321 77.615,1322 0.233,1323 25.47,1324 0.552,1325 132,1326 319.56,1327 141.131,1328 327.436,1329 459.64,1330 306,1331 153,1332 352.859,1333 161.521,1334 363.18,1335 526.53,1336 343,1337 5.721}
{0 CHEMBL311375,1 1.616,2 9.2,3 3.06,4 9.363,5 100.632,6 7.286,7 0.444,8 3.951,9 4.094,10 3.487,11 3.422,12 5.1,13 3.408,14 4.484,15 4.678,16 3.846,17 3.829,18 5.68,19 3.786,20 4.751,21 4.987,22 3.945,23 4,24 5.746,25 3.94,26 4.804,27 5.017,28 4.006,29 4.041,30 5.939,31 3.98,32 4.884,33 5.108,34 3.952,35 4.045,36 6.027,37 3.978,38 4.933,39 5.193,40 3.785,41 3.914,42 6.05,43 3.822,44 4.698,45 4.961,46 3.664,47 3.615,48 6.024,49 3.551,50 4.361,51 4.58,52 3.373,53 3.381,54 5.598,55 3.347,56 0.158,57 0.742,58 10.205,59 3.703,60 14.361,61 5.49,62 0.315,63 1.14,64 18.759,65 6.781,66 52.198,67 9.904,68 0.304,69 1.379,70 25.732,71 8.059,72 32.842,73 12.582,74 0.388,75 1.435,76 26.79,77 8.782,78 45.591,79 13.262,80 0.386,81 1.472,82 29.581,83 8.496,84 61.165,85 13.294,86 0.625,87 1.308,88 33.572,89 8.972,90 93.003,91 13.832,92 0.776,93 0.971,94 27.29,95 6.824,96 115.62,97 10.593,98 0.43,99 0.76,100 18.73,101 4.518,102 65.759,103 6.757,104 30,105 38,106 0.277,107 0.614,108 0.773,109 0.826,110 0.826,111 0.826,112 3.268,113 0.941,114 -4.59,115 -4.51,116 -4.25,119 36.2,120 1,121 4,125 2,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 7,169 2,170 7,172 3,173 3,175 1,178 6,180 1,181 1,182 10,187 1,189 4,191 1,192 2,193 12,195 1,196 1,197 1,198 5,200 2,201 5,204 5,205 1,207 10,212 4,215 8,218 4,220 2,221 6,223 1,224 1,226 2,229 5,231 2,233 6,234 6,236 3,237 3,239 1,241 3,243 1,246 3,248 1,249 1,254 1,260 4,262 3,263 3,265 2,268 2,270 2,273 821,274 16.715,275 16.715,276 16.715,277 16.715,278 16.715,279 14.945,280 22.55,281 9.785,282 17.053,283 13.255,284 13.255,285 13.255,286 13.255,287 13.255,288 10.511,289 29.056,290 4.523,291 13.812,292 3.938,293 1.976,294 1.043,295 0.739,296 0.739,297 0.739,298 3.945,300 1,301 1,302 1,303 485,304 2.828,307 247.099,314 1.408,315 30.551,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 55,327 230,328 4.57,329 3.815,330 6.791,331 4.18,332 3.205,333 4.306,334 2.612,335 11.156,336 3.127,337 4.377,338 3.236,339 6.614,340 3.979,341 3.022,342 4.042,343 0.8,344 10.507,345 2.889,346 3.725,347 3.077,348 5.609,349 3.369,350 2.427,351 3.179,353 7.271,354 2.285,355 3.68,356 2.448,357 5.311,358 3.214,359 2.272,360 2.971,362 6.58,363 2.141,364 3.306,365 2.233,366 5.038,367 2.936,368 1.988,369 2.553,371 5.703,372 1.88,373 3.231,374 2.114,375 4.774,376 2.797,377 1.835,378 2.452,380 5.01,381 1.764,382 2.909,383 1.782,384 4.404,385 2.647,386 1.669,387 1.966,389 4.127,390 1.625,391 2.607,392 1.435,393 3.631,394 2.106,395 1.135,396 1.596,398 2.682,399 1.099,400 2.27,401 1.173,402 3.509,403 2,404 1,405 1.251,407 2.422,408 1,409 2,410 1.077,411 3.312,412 1.984,413 1,414 1,415 2.136,416 0.983,417 1.712,418 1,419 3.247,420 1.526,421 0.543,422 0.613,423 1.035,424 0.533,425 1.319,426 0.655,427 2.754,428 1.014,429 0.064,430 0.077,431 0.138,432 0.061,433 1,434 0.172,435 2.546,436 0.589,437 -0.373,438 -0.452,439 -0.955,440 -0.358,441 0.947,442 -0.152,443 2.389,444 0.437,445 -0.48,446 -0.588,448 -1.152,449 -0.438,450 0.823,451 -0.305,452 2.255,453 0.179,454 -0.808,455 -0.943,457 -1.902,458 -0.791,459 11.567,460 0.463,461 0.665,462 0.027,463 33,464 1.32,465 16.5,466 0.66,467 16.5,468 0.66,469 20.525,470 0.821,471 28.033,472 0.596,473 24.946,474 0.998,475 6.022,476 0.241,477 5.985,478 0.239,479 0.17,481 0.372,485 0.601,486 1.347,487 0.816,488 1.077,489 0.659,490 0.989,491 0.47,492 1.1,493 0.76,494 1.062,495 0.295,496 0.976,497 0.733,498 1.062,499 0.813,500 0.944,501 0.484,502 0.885,503 0.752,504 1.209,505 0.91,506 1.166,507 0.724,508 1.083,509 1.146,510 1.233,511 1.151,512 1.218,513 1.081,514 1.176,515 1.352,516 0.943,517 1.09,518 1.012,519 1.546,520 1.016,521 1.193,522 0.751,523 0.904,524 0.823,525 1.479,526 0.834,527 2.072,528 1.032,529 1.263,530 0.928,531 2.305,532 0.975,533 5,534 0.082,535 2.889,536 2.5,537 1.649,538 1.104,539 0.85,540 0.47,541 0.234,542 0.1,543 6201,544 16743,545 2.015,546 46.8,547 5,548 7,551 4,552 2,553 4,555 1.686,556 1.852,557 3.164,558 1.815,559 1,560 1,564 75.962,565 1.616,566 3.579,567 4.512,568 4.815,569 4.815,570 4.815,571 2.699,572 4.404,573 4.615,574 3.3,575 989.998,576 8.013,577 11603.5,579 1,581 1,582 261.066,583 1.516,584 4.555,585 0.185,586 0.008,587 0.076,588 0.06,589 0.038,590 0.028,591 0.027,592 0.017,593 0.011,594 0.006,595 0.457,597 1,598 0.942,599 118.308,600 0.123,601 -0.02,602 0.039,603 0.063,604 -0.045,605 0.038,606 0.253,607 0.067,608 0.135,609 0.038,610 0.303,611 0.058,612 -0.025,613 0.017,614 0.112,615 0.093,616 0.047,617 0.129,618 0.084,619 -0.122,620 0.015,621 -0.11,622 0.064,623 -0.07,624 -0.189,625 -0.161,626 -0.202,627 -0.219,628 -0.127,629 -0.204,630 -0.133,631 -0.043,632 -0.069,633 -0.071,634 -0.201,635 -0.062,636 0.257,637 0.101,638 0.163,639 0.077,640 0.149,641 0.091,642 -0.394,643 -0.093,644 -0.205,645 -0.004,646 -0.345,647 -0.071,648 2.34,649 4.638,650 0.72,651 19.859,652 1.007,653 1.143,654 3.36,655 11.287,656 0.639,657 3.332,658 3.664,659 3.951,660 4.248,661 4.466,662 4.511,663 4.635,664 4.7,665 4.754,666 4.691,667 5.48,668 0.612,669 342.45,670 3.332,671 4.875,672 5.733,673 6.627,674 7.506,675 8.405,676 9.292,677 10.194,678 11.084,679 11.987,680 12.8,684 2,686 1,690 2,691 1,695 3,696 2,700 7,702 12,711 2,713 1,714 1,718 47,719 14,720 1,721 27,723 49,724 17,725 10,726 3,727 3,729 3,730 3,734 1,736 3,739 4,741 10,742 7,744 2,746 1,748 2,753 1,754 1,757 22,758 7,759 4,760 8,764 6,769 1,770 2,776 1,781 3,802 3,806 1,810 25,811 2,816 6,821 1,829 4.3,835 2,836 13.5,837 8.55,838 5.583,839 3.053,840 2.434,841 1.346,842 0.976,843 5.161,844 9.468,845 3.584,846 4.19,847 4.749,848 5.347,849 5.888,850 6.195,851 6.591,852 6.897,853 7.246,854 7.435,855 1,856 42,857 9.251,859 3.955,860 7.927,861 17.474,863 14.315,865 2.427,866 60.667,869 1,870 211.88,871 70.472,872 108.16,874 50.747,877 70.472,878 262.627,879 108.16,880 14.495,881 14.35,882 94.223,883 33.571,884 17.766,885 4.227,886 211.88,887 50.747,888 211.88,889 178.632,890 50.747,893 164.795,894 47.084,895 50.747,897 27.831,898 111.56,899 39.241,901 211.88,902 158.907,903 70.472,906 211.88,907 33.218,908 46.048,910 150.112,911 211.88,912 158.907,913 70.472,915 0.58,916 0.348,917 0.201,918 0.112,919 18,920 9,921 0.082,922 4,924 1,925 3.515,926 211.108,928 18,929 110.096,933 17.585,934 7.338,935 3.576,937 153.237,938 5.212,939 8.232,943 3.026,945 65.794,946 441.258,947 35,949 -0.34,951 23.276,956 47.334,957 53.73,958 0.291,959 0.644,960 0.812,961 0.867,962 0.867,963 0.867,964 4.828,965 1.135,966 5.733,967 4.127,968 4.344,969 4.875,970 2.577,971 6.581,972 4.265,973 6.044,974 1,975 7.317,976 2.682,977 4.007,978 4.832,979 2.396,980 7.579,981 3.876,982 7.368,983 1,984 9.003,985 2.422,986 5.964,987 7.095,988 4.162,989 10.708,990 5.808,991 8.729,992 0.543,993 10.751,994 2.136,995 6.431,996 7.844,997 4.51,998 12.541,999 6.234,1000 10.122,1001 0.064,1002 12.538,1003 1.035,1004 7.887,1005 9.627,1006 5.949,1007 15.195,1008 7.667,1009 11.538,1010 -0.373,1011 14.352,1012 0.138,1013 8.726,1014 10.733,1015 6.556,1016 17.366,1017 8.473,1018 12.972,1019 -0.48,1020 16.187,1021 -0.955,1022 9.987,1023 12.327,1024 7.794,1025 19.854,1026 9.71,1027 3.205,1028 -0.808,1029 18.036,1030 -1.152,1031 10.997,1032 13.603,1033 8.548,1034 22.159,1035 10.691,1036 3.022,1037 11.156,1038 19.898,1039 -1.902,1040 12.182,1041 15.115,1042 9.67,1043 24.588,1044 11.852,1045 2.427,1046 10.507,1047 21.768,1048 4.306,1049 13.268,1050 16.474,1051 10.509,1052 26.946,1053 12.912,1054 2.272,1055 7.271,1056 23.645,1057 4.042,1058 14.426,1059 17.949,1060 11.563,1061 29.353,1062 14.046,1063 1.988,1064 6.58,1065 25.528,1066 3.179,1067 15.547,1068 19.35,1069 12.452,1070 31.732,1071 15.141,1072 1.835,1073 5.703,1074 27.416,1075 2.971,1076 16.696,1077 20.808,1078 13.468,1079 34.131,1080 16.266,1081 1.669,1082 5.01,1083 29.307,1084 2.553,1085 17.832,1086 22.23,1087 14.386,1088 36.521,1089 17.376,1090 6159,1091 10292,1092 17.512,1093 30.034,1094 40.301,1095 41.801,1096 42.555,1097 40.392,1098 40.323,1099 52.008,1100 6.825,1101 117.533,1102 38.772,1103 5.57,1104 5.815,1105 6.593,1106 5.25,1107 5.205,1108 7.306,1109 4.612,1110 18.193,1111 5.127,1112 13.888,1113 1.493,1114 1.548,1115 1.576,1116 1.496,1117 1.493,1118 1.926,1119 0.253,1120 4.353,1121 1.436,1122 4.067,1123 4.101,1124 4.035,1125 3.956,1126 7.815,1127 3.967,1128 3.856,1129 3.913,1130 3.814,1131 3.693,1132 6.999,1133 3.707,1134 3.749,1135 3.803,1136 3.634,1137 3.578,1138 5.285,1139 3.58,1140 3.456,1141 3.494,1142 3.41,1143 3.195,1144 4.98,1145 3.19,1146 3.389,1147 3.472,1148 3.204,1149 3.032,1150 4.682,1151 3.124,1152 3.115,1153 3.218,1154 3,1155 2.941,1156 4.415,1157 2.91,1158 3.111,1159 3.206,1160 2.866,1161 2.885,1162 4.231,1163 2.905,1164 3,1165 3.111,1166 2.831,1167 2.702,1168 3.965,1169 2.721,1170 0.169,1171 0.141,1172 0.252,1173 0.155,1174 0.119,1175 4.57,1176 0.159,1177 3.815,1178 0.097,1179 6.791,1180 0.413,1181 4.18,1182 0.116,1183 3.205,1184 4.306,1185 2.612,1186 11.156,1187 3.127,1188 1.99,1189 1.963,1190 2.088,1191 2.135,1192 1.406,1193 2.112,1194 1.812,1195 1.756,1196 1.996,1197 1.993,1198 1.194,1199 1.993,1200 1.688,1201 1.638,1202 1.858,1203 1.915,1204 1.022,1205 1.88,1206 1.384,1207 1.301,1208 1.623,1209 1.644,1210 0.825,1211 1.658,1212 1.186,1213 1.152,1214 1.513,1215 1.61,1216 0.659,1217 1.529,1218 1.153,1219 1.064,1220 1.33,1221 1.376,1222 0.525,1223 1.429,1224 1.048,1225 0.969,1226 1.28,1227 1.373,1228 0.213,1229 1.359,1230 0.932,1231 0.82,1232 1.253,1233 1.266,1234 0.131,1235 1.285,1236 4.007,1238 5.333,1240 6.868,1242 8.502,1244 10.189,1246 1.932,1250 11.69,1252 5.561,1257 2.078,1262 28.772,1263 75.962,1264 168.198,1265 212.046,1266 226.311,1267 226.311,1268 226.311,1269 51.095,1270 7.034,1271 126.88,1272 126.88,1273 18,1274 12.509,1275 3.907,1276 3.17,1277 41.502,1278 83,1279 79,1280 0.255,1281 179.927,1282 308.88,1283 430.781,1284 9135,1286 17.974,1287 0.719,1288 0.569,1289 17.974,1290 14.235,1291 12.007,1292 0.445,1293 0.314,1294 8.344,1295 11.459,1296 8.177,1297 6.8,1298 12.007,1299 8.465,1300 10.842,1301 0.285,1302 0.162,1303 10.842,1304 6.151,1305 8.857,1306 0.174,1307 0.089,1308 8.857,1309 4.522,1310 7.842,1311 0.114,1312 0.048,1313 7.842,1314 3.344,1315 6.293,1316 0.073,1317 0.027,1318 6.293,1319 2.34,1320 0.387,1321 75.911,1322 0.239,1323 23.753,1324 0.741,1325 130,1326 394.676,1327 144.974,1328 384.036,1329 520.73,1330 354,1331 154,1332 396.506,1333 168.673,1334 394.66,1335 575.54,1336 371,1337 6.208}
{0 CHEMBL311432,1 1.693,2 5.867,3 -0.118,4 0.014,5 56.671,6 7.894,7 0.688,8 3.397,9 3.54,10 2.979,11 2.825,12 4.679,13 2.853,14 3.831,15 4.016,16 3.341,17 3.185,18 5.114,19 3.189,20 3.957,21 4.128,22 3.432,23 3.313,24 5.175,25 3.318,26 4.107,27 4.303,28 3.378,29 3.286,30 5.458,31 3.248,32 4.17,33 4.456,34 2.872,35 3.047,36 5.294,37 2.959,38 3.751,39 4.06,40 2.404,41 2.571,42 4.976,43 2.422,44 3.23,45 3.546,46 1.584,47 1.987,48 4.244,49 1.822,50 2.684,51 3.043,52 1.118,53 1.402,54 3.821,55 1.19,56 0.105,57 0.424,58 5.182,59 1.641,60 16.778,61 2.392,62 0.233,63 0.613,64 9.007,65 3.175,66 28.173,67 4.392,68 0.152,69 0.708,70 9.514,71 3.041,72 17.503,73 4.666,74 0.289,75 0.693,76 11.899,77 3.848,78 34.968,79 5.721,80 0.431,81 0.549,82 15.828,83 2.72,84 55.769,85 5.079,86 0.33,87 0.31,88 10.949,89 2.326,90 44.091,91 4.201,92 0.177,93 0.159,94 6.738,95 1.328,96 26.349,97 2.314,98 0.117,99 0.074,100 4.145,101 0.854,102 19.855,103 1.591,104 18,105 23,106 0.337,107 0.719,108 0.823,109 0.854,110 0.854,111 0.854,112 2.798,113 0.827,114 -2.2,115 -2.24,116 -2.21,119 34.6,120 1,125 1,140 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 4,172 3,173 3,175 2,178 3,180 1,182 3,187 2,191 1,192 1,193 5,195 3,196 4,197 1,198 5,200 2,204 3,205 1,212 1,218 1,224 2,225 1,226 2,228 1,231 2,250 1,253 1,273 188,274 9.87,275 9.87,276 9.87,277 9.87,278 9.87,279 8.46,280 11.898,281 5.603,282 10.124,283 7.789,284 7.789,285 7.789,286 7.789,287 7.789,288 5.651,289 15.037,290 2.531,291 8.221,292 3.007,293 1.091,294 0.567,295 0.414,296 0.414,297 0.414,298 3.436,301 1,302 1,303 180,304 2,307 63.148,311 54.376,314 0.96,315 18.301,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 33.5,327 88,328 4.654,329 3.313,330 6.834,331 4.183,332 3.21,333 4.616,334 0.765,335 11.224,336 3.127,337 3.901,338 2.741,339 5.789,340 3.488,341 2.533,342 3.407,344 7.781,345 2.417,346 3.454,347 2.218,348 5.095,349 2.982,350 2.049,351 2.861,353 5.893,354 1.906,355 3.383,356 2.053,357 5.006,358 2.899,359 1.978,360 2.707,362 5.782,363 1.818,364 2.706,365 1.68,366 4.23,367 2.31,368 1.36,369 1.777,371 3.493,372 1.288,373 1.886,374 1.098,375 3.117,376 1.589,377 0.69,378 0.795,380 1.243,381 0.614,382 1.235,383 0.246,384 2.822,385 0.842,386 -0.084,387 -0.107,389 -0.185,390 -0.077,391 1.15,392 0.097,393 2.647,394 0.759,395 -0.162,396 -0.197,398 -0.349,399 -0.151,400 0.823,401 -0.299,402 2.254,403 0.42,404 -0.488,405 -0.601,407 -1.178,408 -0.442,409 0.413,410 -0.624,411 2,412 0.08,413 -0.832,414 -1.042,415 -2.036,416 -0.758,417 -0.043,418 -1.136,419 1.471,420 -0.388,421 -1.362,422 -1.749,423 -3.746,424 -1.302,425 -0.218,426 -1.212,427 1.331,428 -0.554,429 -1.5,430 -1.831,431 -4.079,432 -1.401,433 -0.297,434 -1.414,435 1.154,436 -0.634,437 -1.569,438 -2.051,439 -4.488,440 -1.498,441 -0.5,442 -1.741,443 1,444 -0.866,445 -1.821,446 -2.583,448 -5.262,449 -1.724,450 -0.5,451 -2,452 0.791,453 -1.036,454 -2,455 -3,457 -6.874,458 -1.875,459 6.833,460 0.456,461 0.456,462 0.03,463 21.25,464 1.417,465 11,466 0.733,467 10.25,468 0.683,469 8.903,470 0.594,471 16.567,472 0.637,473 13.296,474 0.886,475 4.273,476 0.285,477 2.857,478 0.19,479 0.239,481 0.439,485 1.181,486 1.364,487 0.837,488 0.946,489 1.278,490 0.825,491 0.682,492 0.807,493 0.623,494 0.792,495 0.705,496 0.726,497 0.884,498 1.496,499 0.836,500 1.191,501 0.728,502 1.014,503 0.7,504 1.339,505 1.048,506 1.519,507 0.693,508 1.398,509 1.543,510 0.865,511 1.397,512 0.88,513 1.445,514 1.055,515 0.704,516 0.724,517 1.025,518 0.925,519 0.75,520 1.021,521 1.456,522 0.653,523 1.242,524 0.834,525 1.654,526 0.981,527 0.452,528 0.392,529 0.679,530 0.598,531 0.53,532 0.676,533 3.5,535 2,536 1.75,537 1.249,538 0.41,539 0.141,540 0.059,543 1330,544 4511,545 1.955,546 42.3,547 3,548 2,550 1,551 5,555 1.538,556 1.765,557 2.557,558 3.329,564 44.019,565 1.693,566 3.609,567 4.133,568 4.287,569 4.287,570 4.287,571 2.2,572 3.64,573 3.88,574 2.601,575 273.055,576 6.537,577 2183.22,579 1,582 122.211,583 1.566,584 3.796,585 0.219,587 0.087,588 0.07,589 0.059,590 0.037,591 0.024,592 0.03,595 0.525,596 0.5,597 1,598 1.029,599 56.667,600 -0.304,601 -0.092,602 -0.043,603 0.132,604 -0.36,605 0.113,606 0.179,607 0.351,608 0.24,609 0.282,610 0.095,611 0.257,612 -0.153,613 -0.292,614 -0.023,615 -0.117,616 -0.088,617 -0.045,618 0.193,619 -0.251,620 -0.171,621 -0.509,622 0.181,623 -0.45,624 -0.439,625 -0.023,626 -0.36,627 -0.061,628 -0.37,629 -0.16,630 0.298,631 0.009,632 0.058,633 -0.046,634 0.284,635 -0.038,636 -0.268,637 -0.009,638 -0.113,639 0.03,640 -0.324,641 0.001,642 0.519,643 0.125,644 0.52,645 0.279,646 0.59,647 0.392,648 1.585,649 3.077,650 0.667,651 7.04,652 1.019,653 1.152,654 0.968,655 0.936,656 0.645,657 2.833,658 3.178,659 3.466,660 3.738,661 3.892,662 3.912,663 3.784,664 3.714,665 3.466,666 2.996,667 3.548,668 0.631,669 205.25,670 2.833,671 4.369,672 5.231,673 6.129,674 7.008,675 7.911,676 8.795,677 9.699,678 10.585,679 11.489,680 19.2,684 2,690 3,694 2,695 1,696 3,700 4,702 11,711 2,718 26,719 11,721 16,723 27,724 9,725 7,729 2,730 3,734 2,741 7,742 2,754 1,757 11,758 6,759 5,760 6,764 5,769 0.5,770 1,771 1,775 1,776 1,781 2,785 1,800 1,802 1,806 1,810 15,811 2,815 1,816 1,829 3.8,830 1,836 8.5,837 4.8,838 3.361,839 1.292,840 2.391,841 1.406,842 0.952,843 2.325,844 8.28,845 3.114,846 3.818,847 4.486,848 5.137,849 5.714,850 6.033,851 6.292,852 6.575,853 6.791,854 6.381,855 1,856 25,857 5.463,858 -0.001,859 2.286,860 8.067,861 10.019,863 7.88,865 2.567,866 38.5,867 0.002,870 70.627,871 32.759,872 116.151,874 42.683,877 32.759,878 113.31,879 116.151,880 8.825,882 108.478,883 62.128,884 19.707,885 4.227,886 58.856,888 70.627,889 148.91,890 42.683,893 72.342,895 42.683,897 19.772,898 77.066,899 50.357,901 70.627,902 158.834,903 32.759,906 70.627,907 14.886,908 17.873,910 158.834,911 70.627,912 158.834,913 32.759,915 0.588,916 0.363,917 0.204,918 0.101,919 12,920 6,921 0.037,922 1,923 1,924 1.2,925 2.578,926 100.616,927 0.2,928 10,929 58.603,933 9.926,934 3.513,935 1.548,936 1.102,937 158.834,938 1.559,939 11.891,943 1.934,945 108.478,946 262.22,947 21.5,956 26.487,957 29.947,958 0.36,959 0.768,960 0.879,961 0.912,962 0.912,963 0.912,964 4.341,965 -0.162,966 5.252,967 -0.185,968 3.85,969 4.5,970 0.775,971 6.116,972 3.751,973 5.603,974 -0.488,975 6.853,976 -0.349,977 3.611,978 4.559,980 7.14,981 3.499,982 6.952,983 -0.832,984 8.554,985 -1.178,986 5.493,987 6.874,988 0.521,989 10.262,990 5.325,991 8.342,992 -1.362,993 10.311,994 -2.036,995 6.019,996 7.712,998 12.09,999 5.852,1000 9.759,1001 -1.5,1002 12.103,1003 -3.746,1004 7.437,1005 9.554,1006 0.336,1007 14.766,1008 7.223,1009 11.199,1010 -1.569,1011 13.921,1012 -4.079,1013 8.316,1014 10.763,1016 16.939,1017 8.102,1018 12.657,1019 -1.821,1020 15.759,1021 -4.488,1022 9.563,1023 12.418,1024 0.21,1025 19.455,1026 9.313,1027 3.21,1028 -2,1029 17.613,1030 -5.262,1031 10.603,1032 13.804,1034 21.773,1035 10.343,1036 2.533,1037 11.224,1038 19.479,1039 -6.874,1040 11.79,1041 15.382,1042 0.128,1043 24.229,1044 11.5,1045 2.049,1046 7.781,1047 21.355,1048 4.616,1049 12.899,1050 16.848,1052 26.606,1053 12.593,1054 1.978,1055 5.893,1056 23.239,1057 3.407,1058 14.067,1059 18.396,1060 0.077,1061 29.038,1062 13.734,1063 1.36,1064 5.782,1065 25.13,1066 2.861,1067 15.207,1068 19.897,1070 31.439,1071 14.852,1072 0.69,1073 3.493,1074 27.027,1075 2.707,1076 16.37,1077 21.434,1078 0.046,1079 33.863,1080 15.989,1081 -0.084,1082 1.243,1083 28.928,1084 1.777,1085 17.523,1086 22.95,1088 36.274,1089 17.119,1090 1433,1091 2700,1092 10.057,1093 16.767,1094 23.84,1095 24.054,1096 25.642,1097 23.65,1098 23.637,1099 32.323,1100 1.529,1101 70.833,1102 22.341,1103 5.199,1104 5.313,1105 6.375,1106 5.257,1107 5.21,1108 7.616,1109 1.529,1110 18.444,1111 5.07,1112 8.425,1113 1.49,1114 1.503,1115 1.603,1116 1.478,1117 1.477,1118 2.02,1119 0.096,1120 4.427,1121 1.396,1122 4.063,1123 4.102,1124 4.041,1125 3.948,1126 6.457,1127 3.966,1128 3.549,1129 3.61,1130 3.48,1131 3.35,1132 5.319,1133 3.376,1134 3.19,1135 3.281,1136 3.053,1137 2.965,1138 4.981,1139 2.967,1140 3.091,1141 3.171,1142 2.965,1143 2.773,1144 4.794,1145 2.81,1146 3.023,1147 3.151,1148 2.8,1149 2.701,1150 4.162,1151 2.717,1152 2.618,1153 2.73,1154 2.444,1155 2.316,1156 4.015,1157 2.333,1158 2.31,1159 2.413,1160 2.079,1161 1.977,1162 3.611,1163 1.986,1164 2.191,1165 2.307,1166 1.978,1167 1.775,1168 3.184,1169 1.803,1170 0.291,1171 0.207,1172 0.427,1173 0.261,1174 0.201,1175 4.654,1176 0.288,1177 3.313,1178 0.048,1179 6.834,1180 0.702,1181 4.183,1182 0.195,1183 3.21,1184 4.616,1185 0.765,1186 11.224,1187 3.127,1188 1.991,1189 1.961,1190 2.051,1191 2.128,1192 1.204,1193 2.104,1194 1.469,1195 1.413,1196 1.621,1197 1.712,1198 0.663,1199 1.692,1200 1.167,1201 1.08,1202 1.516,1203 1.445,1204 0.557,1205 1.468,1206 0.968,1207 0.887,1208 1.265,1209 1.352,1210 0.133,1211 1.342,1212 0.945,1213 0.826,1214 1.233,1215 1.317,1217 1.301,1218 0.549,1219 0.446,1220 0.909,1221 0.917,1223 0.921,1224 0.238,1225 0.131,1226 0.516,1227 0.575,1229 0.56,1230 0.097,1232 0.447,1233 0.445,1235 0.448,1236 3.497,1238 4.828,1240 6.382,1242 8.045,1244 9.763,1246 1.839,1250 11.182,1251 9.077,1252 -0.085,1262 16.402,1263 44.019,1264 93.847,1265 107.457,1266 111.457,1267 111.457,1268 111.457,1269 20.353,1270 5.889,1271 110.94,1272 110.94,1273 12,1274 12.011,1275 3.585,1276 2.7,1277 23.377,1278 32,1279 32,1280 0.399,1281 105.645,1282 168.33,1283 249.535,1284 1988,1286 11,1287 0.733,1288 0.549,1289 11,1290 8.228,1291 7.13,1292 0.446,1293 0.276,1294 4.325,1295 6.782,1296 4.195,1297 3.504,1298 7.13,1299 4.412,1300 6.496,1301 0.282,1302 0.141,1303 6.496,1304 3.232,1305 5.464,1306 0.176,1307 0.074,1308 5.464,1309 2.305,1310 4.866,1311 0.119,1312 0.036,1313 4.866,1314 1.492,1315 3.305,1316 0.069,1317 0.017,1318 3.305,1319 0.829,1320 0.572,1321 45.336,1322 0.315,1323 14.59,1324 1.264,1325 78,1326 249.709,1327 87.599,1328 245.402,1329 334.86,1330 228,1331 93,1332 248.304,1333 101.989,1334 253.63,1335 371.54,1336 237,1337 5.071}
{0 CHEMBL311439,1 1.675,2 7.909,3 2.143,4 4.591,5 88.491,6 7.559,7 0.522,8 3.79,9 3.935,10 3.344,11 3.223,12 5.037,13 3.225,14 4.267,15 4.469,16 3.697,17 3.592,18 5.578,19 3.578,20 4.436,21 4.625,22 3.814,23 3.776,24 5.604,25 3.753,26 4.615,27 4.812,28 3.892,29 3.858,30 5.86,31 3.818,32 4.729,33 4.952,34 3.765,35 3.838,36 5.976,37 3.779,38 4.743,39 5.02,40 3.476,41 3.63,42 5.893,43 3.528,44 4.324,45 4.587,46 3.45,47 3.292,48 5.716,49 3.247,50 4.142,51 4.362,52 3.158,53 3.108,54 5.454,55 3.084,56 0.171,57 0.627,58 8.256,59 2.811,60 12.996,61 4.262,62 0.356,63 0.91,64 14.994,65 4.962,66 52.036,67 7.326,68 0.241,69 1.095,70 17.055,71 5.702,72 25.396,73 8.577,74 0.389,75 1.197,76 21.202,77 6.901,78 42.48,79 10.383,80 0.454,81 1.194,82 24.904,83 6.547,84 57.532,85 10.465,86 0.743,87 0.965,88 29.121,89 6.922,90 117.05,91 10.955,92 0.559,93 0.695,94 18.215,95 4.48,96 74.68,97 7.401,98 0.38,99 0.583,100 14.726,101 3.205,102 52.73,103 5.067,104 59,105 33,106 0.298,107 0.647,108 0.774,109 0.813,110 0.813,111 0.813,112 3.148,113 0.877,114 -3.84,115 -3.8,116 -3.61,119 35,120 1,121 1,124 2,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 5,172 3,173 3,175 1,178 5,180 1,181 1,182 9,187 1,189 4,191 1,192 2,193 12,195 1,196 1,197 1,198 5,200 2,201 3,204 5,205 1,207 8,212 4,215 3,218 4,220 2,221 1,223 1,224 1,226 2,229 1,231 2,233 6,234 4,236 3,237 3,239 1,243 1,246 3,248 1,249 1,262 3,263 3,273 600,274 14.146,275 14.146,276 14.146,277 14.146,278 14.146,279 12.376,280 19.388,281 8.064,282 14.483,283 11.234,284 11.234,285 11.234,286 11.234,287 11.234,288 8.477,289 25.52,290 3.659,291 11.769,292 3.647,293 1.689,294 0.975,295 0.757,296 0.757,297 0.757,298 3.798,300 1,301 1,302 1,303 349,304 3.24,307 146.521,314 1.116,315 28.541,316 1,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 49,327 174,328 4.567,329 3.813,330 6.786,331 4.174,332 3.198,333 4.304,334 2.612,335 11.129,336 3.124,337 4.368,338 3.234,339 6.559,340 3.95,341 2.991,342 4.039,343 0.8,344 10.231,345 2.866,346 3.711,347 2.965,348 5.401,349 3.252,350 2.315,351 3.177,353 6.79,354 2.168,355 3.612,356 2.415,357 5.281,358 3.146,359 2.203,360 2.928,362 6.134,363 2.076,364 3.303,365 2.229,366 5.038,367 2.935,368 1.987,369 2.551,371 5.703,372 1.879,373 3.178,374 2.004,375 4.773,376 2.748,377 1.798,378 2.403,380 5.007,381 1.7,382 2.63,383 1.606,384 3.872,385 2.151,386 1.194,387 1.61,389 2.848,390 1.139,391 2.449,392 1.201,393 3.581,394 2,395 1,396 1.438,398 2.421,399 1,400 1.707,401 1,402 3.299,403 1.518,404 0.536,405 0.606,407 1.002,408 0.526,409 1.306,410 0.649,411 2.744,412 0.988,413 0.042,414 0.05,415 0.091,416 0.039,417 1,418 0.149,419 2.439,420 0.475,421 -0.47,422 -0.584,423 -1.142,424 -0.433,425 0.89,426 -0.226,427 2.292,428 0.432,429 -0.5,430 -0.639,431 -1.29,432 -0.474,433 0.821,434 -0.305,435 2.23,436 0.165,437 -0.815,438 -1,439 -2,440 -0.792,441 0.628,442 -0.6,443 1.885,444 0.004,445 -0.95,446 -1.01,448 -2,449 -0.9,450 0.222,451 -0.643,452 1.653,454 -1,455 -1.235,457 -2.027,458 -0.91,459 10.067,460 0.458,461 0.741,462 0.034,463 31,464 1.409,465 16.5,466 0.75,467 14.5,468 0.659,469 15.559,470 0.707,471 24.733,472 0.618,473 24.067,474 1.094,475 6.115,476 0.278,477 4.231,478 0.192,479 0.295,481 0.427,485 0.621,486 1.416,487 0.798,488 1.087,489 0.712,490 0.981,491 0.52,492 0.881,493 0.624,494 0.797,495 0.32,496 0.731,497 0.775,498 1.247,499 0.848,500 1.098,501 0.595,502 0.988,503 0.76,504 1.312,505 0.914,506 1.264,507 0.774,508 1.146,509 1.211,510 1.254,511 1.26,512 1.295,513 1.081,514 1.271,515 1.415,516 0.797,517 1.099,518 0.851,519 1.673,520 0.925,521 0.56,522 0.833,523 0.705,524 0.899,525 0.674,526 0.846,527 1.832,528 1.216,529 1.294,530 1.115,531 1.897,532 1.116,533 5.5,535 2.889,536 2.563,537 1.778,538 0.951,539 0.689,540 0.431,541 0.23,542 0.071,543 3867,544 12585,545 1.894,546 45,547 3,548 9,551 4,552 2,555 1.652,556 1.692,557 2.98,558 1.959,559 1,560 1,562 1,564 67.006,565 1.675,566 3.633,567 4.346,568 4.565,569 4.565,570 4.565,571 2.431,572 4.096,573 4.432,574 3.098,575 715.63,576 7.651,577 7681.91,578 1,579 1,581 1,582 212.877,583 1.564,584 4.332,585 0.239,587 0.088,588 0.069,589 0.047,590 0.031,591 0.031,592 0.02,593 0.014,594 0.01,595 0.549,596 0.17,597 1,598 1.12,599 98.883,600 0.104,601 -0.086,602 0.025,603 0.035,604 -0.107,605 0.016,606 0.249,607 0.276,608 0.271,609 0.277,610 0.317,611 0.281,612 -0.074,613 -0.048,614 0.014,615 0.002,616 -0.024,617 0.03,618 0.072,619 -0.195,620 -0.017,621 -0.187,622 0.031,623 -0.135,624 -0.254,625 -0.195,626 -0.321,627 -0.316,628 -0.131,629 -0.317,630 -0.183,631 0.003,632 -0.042,633 0.063,634 -0.273,635 0.033,636 0.521,637 0.064,638 0.323,639 0.013,640 0.394,641 0.106,642 -0.368,643 -0.286,644 -0.26,645 -0.211,646 -0.268,647 -0.221,648 2.418,649 4.3,650 0.545,651 15.273,652 1.014,653 1.147,654 2.611,655 6.817,656 0.638,657 3.178,658 3.526,659 3.784,660 4.06,661 4.234,662 4.263,663 4.344,664 4.331,665 4.248,666 4.007,667 4.894,668 0.618,669 302.38,670 3.178,671 4.727,672 5.58,673 6.479,674 7.354,675 8.256,676 9.139,677 10.041,678 10.928,679 11.829,680 15,684 2,686 1,690 2,691 1,695 3,696 2,700 7,702 12,711 2,713 1,714 1,718 40,719 14,720 1,721 23,723 41,724 14,725 10,726 3,727 3,729 2,730 2,734 1,739 1,741 10,742 4,744 2,746 1,748 2,753 1,754 1,757 18,758 7,759 4,760 8,764 6,769 1,770 2,776 1,781 2,802 2,806 3,810 22,811 2,816 1,821 1,829 5,835 2,836 13,837 8.05,838 4.917,839 2.253,840 2.512,841 1.386,842 0.949,843 4.592,844 9.011,845 3.466,846 4.111,847 4.677,848 5.278,849 5.813,850 6.098,851 6.479,852 6.742,853 7.053,854 7.171,855 1,856 37,857 8.073,859 3.362,860 8.098,861 14.806,863 11.494,865 2.598,866 57.167,870 164.795,871 75.45,872 108.16,874 50.747,877 75.45,878 215.542,879 108.16,880 31.288,881 2.535,882 94.223,883 33.571,884 17.766,885 4.227,886 164.795,887 50.747,888 164.795,889 183.609,890 50.747,893 164.795,895 50.747,897 16.016,898 128.353,899 39.241,901 164.795,902 158.907,903 75.45,906 164.795,907 21.403,908 62.841,910 150.112,911 164.795,912 158.907,913 75.45,915 0.589,916 0.351,917 0.197,918 0.107,919 15,920 9,921 0.098,922 4,924 1,925 3.133,926 171.531,928 12,929 94.107,933 16.142,934 6.258,935 3.184,937 153.237,938 4.94,939 8.122,943 2.685,945 65.794,946 399.152,947 31,949 -0.418,951 22.599,956 40.567,957 45.9,958 0.315,959 0.683,960 0.817,961 0.858,962 0.858,963 0.858,964 4.71,965 1,966 5.609,967 2.848,968 4.205,969 4.796,970 2.577,971 6.472,972 4.12,973 5.96,974 0.536,975 7.213,976 2.421,977 4.007,978 4.832,979 2.396,980 7.516,981 3.876,982 7.299,983 0.042,984 8.916,985 1.002,986 5.849,987 7.06,988 4.162,989 10.618,990 5.693,991 8.674,992 -0.47,993 10.674,994 0.091,995 6.399,996 7.837,997 4.51,998 12.457,999 6.208,1000 10.075,1001 -0.5,1002 12.467,1003 -1.142,1004 7.794,1005 9.611,1006 5.949,1007 15.103,1008 7.581,1009 11.498,1010 -0.815,1011 14.285,1012 -1.29,1013 8.675,1014 10.725,1015 6.556,1016 17.271,1017 8.435,1018 12.936,1019 -0.95,1020 16.121,1021 -2,1022 9.906,1023 12.317,1024 7.794,1025 19.755,1026 9.644,1027 3.198,1028 -1,1029 17.971,1030 -2,1031 10.936,1032 13.596,1033 8.548,1034 22.056,1035 10.649,1036 2.991,1037 11.129,1038 19.833,1039 -2.027,1040 12.107,1041 15.108,1042 9.67,1043 24.479,1044 11.798,1045 2.315,1046 10.231,1047 21.702,1048 4.304,1049 13.202,1050 16.467,1051 10.509,1052 26.833,1053 12.868,1054 2.203,1055 6.79,1056 23.579,1057 4.039,1058 14.353,1059 17.942,1060 11.563,1061 29.235,1062 13.997,1063 1.987,1064 6.134,1065 25.461,1066 3.177,1067 15.476,1068 19.343,1069 12.452,1070 31.611,1071 15.096,1072 1.798,1073 5.703,1074 27.347,1075 2.928,1076 16.622,1077 20.801,1078 13.468,1079 34.006,1080 16.219,1081 1.194,1082 5.007,1083 29.237,1084 2.551,1085 17.758,1086 22.223,1087 14.386,1088 36.392,1089 17.332,1090 4088,1091 7499,1092 14.046,1093 25.512,1094 34.787,1095 36.074,1096 37.526,1097 34.593,1098 34.53,1099 46.213,1100 6.825,1101 102.713,1102 33.036,1103 5.258,1104 5.813,1105 6.308,1106 5.244,1107 5.198,1108 7.304,1109 4.612,1110 18.038,1111 5.124,1112 15.079,1113 1.512,1114 1.568,1115 1.632,1116 1.504,1117 1.501,1118 2.009,1119 0.297,1120 4.466,1121 1.436,1122 4.056,1123 4.087,1124 4.027,1125 3.947,1126 7.815,1127 3.958,1128 3.834,1129 3.884,1130 3.806,1131 3.647,1132 6.999,1133 3.673,1134 3.508,1135 3.572,1136 3.452,1137 3.223,1138 5.285,1139 3.216,1140 3.411,1141 3.49,1142 3.262,1143 3.167,1144 4.98,1145 3.178,1146 3.378,1147 3.449,1148 3.204,1149 3.029,1150 4.689,1151 3.124,1152 3.072,1153 3.193,1154 2.931,1155 2.789,1156 4.417,1157 2.809,1158 2.874,1159 3.009,1160 2.645,1161 2.618,1162 4.167,1163 2.59,1164 2.821,1165 2.924,1166 2.505,1167 2.574,1168 3.965,1169 2.57,1170 0.199,1171 0.166,1172 0.295,1173 0.181,1174 0.139,1175 4.567,1176 0.187,1177 3.813,1178 0.114,1179 6.786,1180 0.484,1181 4.174,1182 0.136,1183 3.198,1184 4.304,1185 2.612,1186 11.129,1187 3.124,1188 1.981,1189 1.956,1190 2.054,1191 2.123,1192 1.211,1193 2.094,1194 1.743,1195 1.696,1196 1.891,1197 1.964,1198 1.047,1199 1.928,1200 1.417,1201 1.328,1202 1.723,1203 1.732,1204 0.801,1205 1.704,1206 1.367,1207 1.278,1208 1.606,1209 1.639,1210 0.578,1211 1.656,1212 1.186,1213 1.152,1214 1.417,1215 1.575,1216 0.469,1217 1.52,1218 0.975,1219 0.88,1220 1.285,1221 1.361,1222 0.213,1223 1.345,1224 0.934,1225 0.804,1226 1.256,1227 1.239,1228 0.131,1229 1.308,1230 0.788,1231 0.689,1232 1.121,1233 1.087,1234 0.043,1235 1.107,1236 3.85,1238 5.187,1240 6.725,1242 8.362,1244 10.053,1246 5.41,1250 11.549,1252 0.593,1257 1.686,1262 24.719,1263 67.006,1264 145.314,1265 173.858,1266 182.612,1267 182.612,1268 182.612,1269 49.293,1270 6.5,1271 126.88,1272 126.88,1273 12,1274 12.353,1275 3.907,1276 3.17,1277 41.885,1278 64,1279 58,1280 0.335,1281 158.543,1282 269.34,1283 378.605,1284 4365,1286 16.439,1287 0.747,1288 0.577,1289 16.439,1290 12.699,1291 10.345,1292 0.45,1293 0.292,1294 6.597,1295 9.783,1296 6.344,1297 5.369,1298 10.345,1299 6.727,1300 9.688,1301 0.294,1302 0.151,1303 9.688,1304 4.997,1305 7.458,1306 0.173,1307 0.077,1308 7.458,1309 3.307,1310 6.522,1311 0.114,1312 0.041,1313 6.522,1314 2.32,1315 5.03,1316 0.074,1317 0.021,1318 5.03,1319 1.459,1320 0.501,1321 66.109,1322 0.267,1323 21.049,1324 0.996,1325 112,1326 376.676,1327 126.308,1328 367.111,1329 491.09,1330 336,1331 132,1332 369.802,1333 146.007,1334 371.665,1335 535.5,1336 345,1337 6.602}
{0 CHEMBL311930,1 1.634,2 12.133,3 3.71,4 13.763,5 119.566,6 7.565,7 0.563,8 4.087,9 4.217,10 3.651,11 3.564,12 5.301,13 3.56,14 4.575,15 4.756,16 3.993,17 3.933,18 5.824,19 3.913,20 4.761,21 4.941,22 4.108,23 4.113,24 5.878,25 4.078,26 4.934,27 5.131,28 4.154,29 4.198,30 6.093,31 4.139,32 5.054,33 5.282,34 4.088,35 4.223,36 6.185,37 4.142,38 5.082,39 5.341,40 3.963,41 4.114,42 6.18,43 4.017,44 4.828,45 5.066,46 3.989,47 3.915,48 6.143,49 3.866,50 4.748,51 4.965,52 3.802,53 3.768,54 6.019,55 3.748,56 0.173,57 0.826,58 10.937,59 4.335,60 15.121,61 5.925,62 0.415,63 1.231,64 20.112,65 7.372,66 57.47,67 10.06,68 0.285,69 1.496,70 23.584,71 8.641,72 30.197,73 12.1,74 0.455,75 1.682,76 29.162,77 10.321,78 49.425,79 14.69,80 0.49,81 1.787,82 34.463,83 10.79,84 69.207,85 15.981,86 0.808,87 1.621,88 39.083,89 11.581,90 112.332,91 16.883,92 0.643,93 1.325,94 28.814,95 8.815,96 87.852,97 13.038,98 0.637,99 1.148,100 27.39,101 7.192,102 85.465,103 9.876,104 59,105 45,106 0.269,107 0.627,108 0.79,109 0.85,110 0.85,111 0.85,112 3.441,113 0.88,114 -4.54,115 -4.46,116 -4.2,119 38.9,120 1,121 1,124 2,125 1,139 7,140 3,141 3,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 9,169 2,170 8,172 3,173 3,175 1,178 9,180 1,181 1,182 13,187 1,189 6,191 1,192 2,193 15,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,207 9,212 4,215 7,218 4,220 3,221 5,223 1,224 1,226 2,229 8,231 2,233 6,234 10,236 3,237 3,239 1,241 7,243 1,246 8,248 1,249 1,254 4,259 1,260 4,262 3,263 3,265 1,268 3,270 1,273 1508,274 19.894,275 19.894,276 19.894,277 19.894,278 19.894,279 17.401,280 27.412,281 11.466,282 20.403,283 15.621,284 15.621,285 15.621,286 15.621,287 15.621,288 11.77,289 36.115,290 5.23,291 16.347,292 4.121,293 1.952,294 0.961,295 0.597,296 0.597,297 0.597,298 4.117,301 1,302 1,303 760,304 3.674,307 326.868,314 1.942,315 34.595,318 1,319 0.83,320 1,321 0.8,323 1,324 1,325 0.8,326 66,327 364,328 4.569,329 3.815,330 6.788,331 4.178,332 3.203,333 4.305,334 2.612,335 11.139,336 3.126,337 4.375,338 3.236,339 6.588,340 3.972,341 3.014,342 4.041,343 0.916,344 10.369,345 2.886,346 4.043,347 3.106,348 5.616,349 3.633,350 2.658,351 3.638,352 0.86,353 7.57,354 2.593,355 3.714,356 2.851,357 5.395,358 3.296,359 2.361,360 3.178,361 0.172,362 6.88,363 2.205,364 3.66,365 2.537,366 5.302,367 3.211,368 2.27,369 2.966,371 6.559,372 2.136,373 3.436,374 2.368,375 5.067,376 2.999,377 2.04,378 2.738,380 5.918,381 1.948,382 3.302,383 2.227,384 5.038,385 2.935,386 1.987,387 2.55,389 5.702,390 1.879,391 3.169,392 1.983,393 4.773,394 2.744,395 1.794,396 2.395,398 5.008,399 1.696,400 2.636,401 1.611,402 4.086,403 2.186,404 1.227,405 1.616,407 3.226,408 1.173,409 2.5,410 1.242,411 3.604,412 2,413 1,414 1.5,415 2.423,416 1,417 2.497,418 1.104,419 3.414,420 2,421 1,422 1.496,423 2.275,424 1,425 1.739,426 1,427 3.326,428 1.533,429 0.584,430 0.65,431 1.075,432 0.544,433 1.684,434 1,435 2.904,436 1.433,437 0.523,438 0.588,439 0.874,440 0.478,441 1.317,442 0.655,443 2.742,444 1.006,445 0.06,446 0.072,448 0.127,449 0.056,450 1.055,451 0.289,452 2.565,453 0.778,454 -0.163,455 -0.187,457 -0.334,458 -0.152,459 13.9,460 0.463,461 0.839,462 0.028,463 42.5,464 1.417,465 23,466 0.767,467 19.5,468 0.65,469 23.22,470 0.774,471 32.9,472 0.609,473 35.599,474 1.187,475 8.511,476 0.284,477 5.822,478 0.194,479 0.213,481 0.381,485 0.674,486 1.294,487 0.787,488 1.065,489 0.708,490 0.957,491 0.742,492 0.906,493 0.729,494 0.844,495 0.392,496 0.794,497 0.838,498 1.221,499 0.907,500 1.098,501 0.601,502 1.02,503 0.786,504 1.261,505 0.994,506 1.216,507 0.771,508 1.159,509 0.973,510 1.165,511 1.139,512 1.178,513 1.012,514 1.17,515 1.142,516 0.849,517 1.009,518 0.892,519 1.493,520 0.931,521 0.698,522 0.971,523 0.773,524 1.021,525 0.816,526 0.93,527 1.902,528 0.943,529 1.177,530 0.885,531 2.089,532 0.9,533 7,534 0.144,535 3.556,536 2.813,537 2.24,538 1.326,539 0.972,540 0.651,541 0.406,542 0.272,543 10870,544 32407,545 1.974,546 44.4,547 3,548 15,551 4,552 2,555 1.73,556 1.8,557 3.507,558 1.664,560 1,564 88.221,565 1.634,566 3.803,567 4.793,568 5.157,569 5.157,570 5.157,571 3.057,572 4.507,573 4.874,574 3.683,575 1602.01,576 8.515,577 22004,579 1,582 310.764,583 1.549,584 4.808,585 0.219,586 0.006,587 0.079,588 0.056,589 0.045,590 0.029,591 0.025,592 0.016,593 0.012,594 0.011,595 0.499,597 1,598 0.986,599 153.795,600 0.084,601 -0.035,602 0.037,603 0.019,604 -0.088,605 0.019,606 0.137,607 0.214,608 0.174,609 0.203,610 0.265,611 0.194,612 -0.081,613 -0.081,614 -0.028,615 -0.046,616 -0.018,617 -0.027,618 0.025,619 -0.179,620 -0.086,621 -0.183,622 0.018,623 -0.166,624 -0.149,625 -0.121,626 -0.196,627 -0.195,628 -0.104,629 -0.193,630 -0.07,631 0.045,632 0.019,633 0.071,634 -0.189,635 0.058,636 0.328,637 -0.005,638 0.228,639 -0.057,640 0.334,641 0.045,642 -0.339,643 -0.013,644 -0.115,645 0.037,646 -0.239,647 0.01,648 2.399,649 4.819,650 0.6,651 30.116,652 1.01,653 1.136,654 3.308,655 10.943,656 0.653,657 3.497,658 3.829,659 4.094,660 4.357,661 4.564,662 4.615,663 4.727,664 4.787,665 4.844,666 4.86,667 6.874,668 0.63,669 408.51,670 3.497,671 5.043,672 5.894,673 6.781,674 7.651,675 8.542,676 9.42,677 10.312,678 11.194,679 12.089,680 11.1,684 2,686 1,690 2,691 1,695 7,696 2,700 9,702 18,711 2,713 1,714 1,716 1,718 54,719 20,720 2,721 32,723 56,724 21,725 16,726 5,727 7,729 3,730 3,734 1,739 1,741 16,742 5,744 2,746 1,748 2,754 1,757 24,758 8,759 4,760 9,764 6,769 1,770 3,776 1,781 3,802 3,806 3,810 30,811 2,816 2,818 1,821 1,829 5.6,834 1,835 2,836 16.667,837 10.55,838 6.75,839 3.042,840 3.232,841 1.438,842 0.964,843 6.624,844 10.608,845 3.784,846 4.413,847 4.975,848 5.552,849 6.098,850 6.34,851 6.715,852 7.026,853 7.409,854 7.688,855 1,856 50,857 11.04,859 4.619,860 7.95,861 20.535,863 16.187,865 2.45,866 73.5,868 1,869 1,870 235.422,871 126.376,872 108.16,874 61.747,877 126.376,878 297.169,879 108.16,880 33.775,881 4.64,882 132.128,883 33.571,884 37.195,885 4.227,886 235.422,887 50.747,888 235.422,889 234.536,890 61.747,893 235.422,894 11,895 50.747,897 18.121,898 177.173,899 39.241,901 235.422,902 169.907,903 126.376,906 235.422,907 31.938,908 103.233,910 161.112,911 235.422,912 169.907,913 126.376,915 0.582,916 0.349,917 0.191,918 0.105,919 20,920 11,921 0.125,922 7,924 1,925 3.947,926 264.363,928 18,929 139.207,933 21.652,934 9.178,935 4.762,937 164.237,938 12.576,939 8.241,943 4.305,945 65.794,946 531.705,947 43,949 -0.399,951 23.638,956 54.545,957 61.355,958 0.284,959 0.661,960 0.833,961 0.896,962 0.896,963 0.896,964 5.021,965 1.794,966 5.9,967 5.702,968 4.511,969 5.1,970 2.72,971 6.732,972 4.429,973 6.251,974 1.227,975 7.479,976 5.008,977 4.205,978 5.027,979 2.396,980 7.7,981 4.078,982 7.576,983 1,984 9.156,985 3.226,986 6.129,987 7.331,988 4.186,989 10.795,990 5.977,991 8.934,992 1,993 10.889,994 2.423,995 6.594,996 8.015,997 4.512,998 12.58,999 6.404,1000 10.32,1001 0.584,1002 12.659,1003 2.275,1004 8.026,1005 9.833,1006 5.952,1007 15.218,1008 7.816,1009 11.726,1010 0.523,1011 14.455,1012 1.075,1013 8.848,1014 10.875,1015 6.557,1016 17.357,1017 8.604,1018 13.148,1019 0.06,1020 16.272,1021 0.874,1022 10.091,1023 12.491,1024 7.795,1025 19.836,1026 9.828,1027 3.203,1028 -0.163,1029 18.104,1030 0.127,1031 11.083,1032 13.717,1033 8.548,1034 22.124,1035 10.789,1036 3.014,1037 11.139,1038 19.95,1039 -0.334,1040 12.254,1041 15.239,1042 9.67,1043 24.546,1044 11.94,1045 2.658,1046 10.369,1047 21.806,1048 4.305,1049 13.326,1050 16.563,1051 10.509,1052 26.895,1053 12.983,1054 2.361,1055 7.57,1056 23.671,1057 4.041,1058 14.473,1059 18.041,1060 11.563,1061 29.297,1062 14.108,1063 2.27,1064 6.88,1065 25.544,1066 3.638,1067 15.582,1068 19.418,1069 12.452,1070 31.671,1071 15.19,1072 2.04,1073 6.559,1074 27.422,1075 3.178,1076 16.723,1077 20.875,1078 13.468,1079 34.067,1080 16.308,1081 1.987,1082 5.918,1083 29.306,1084 2.966,1085 17.85,1086 22.282,1087 14.386,1088 36.452,1089 17.41,1090 10797,1091 18808,1092 20.403,1093 35.25,1094 47.711,1095 49.175,1096 50.679,1097 47.474,1098 47.44,1099 63.465,1100 9.122,1101 138.292,1102 45.437,1103 5.406,1104 5.815,1105 6.341,1106 5.248,1107 5.203,1108 7.305,1109 4.612,1110 18.156,1111 5.126,1112 18.984,1113 1.491,1114 1.537,1115 1.584,1116 1.484,1117 1.483,1118 1.983,1119 0.285,1120 4.322,1121 1.42,1122 4.067,1123 4.099,1124 4.036,1125 3.96,1126 7.815,1127 3.971,1128 3.913,1129 3.942,1130 3.856,1131 3.838,1132 6.999,1133 3.837,1134 3.827,1135 3.87,1136 3.798,1137 3.643,1138 5.285,1139 3.669,1140 3.495,1141 3.541,1142 3.449,1143 3.223,1144 4.98,1145 3.224,1146 3.407,1147 3.489,1148 3.284,1149 3.176,1150 4.869,1151 3.184,1152 3.38,1153 3.444,1154 3.204,1155 3.031,1156 4.679,1157 3.124,1158 3.223,1159 3.299,1160 3.04,1161 2.953,1162 4.423,1163 2.96,1164 3.07,1165 3.192,1166 2.921,1167 2.788,1168 4.367,1169 2.805,1170 0.143,1171 0.119,1172 0.212,1173 0.131,1174 0.1,1175 4.569,1176 0.135,1177 3.815,1178 0.082,1179 6.788,1180 0.348,1181 4.178,1182 0.098,1183 3.203,1184 4.305,1185 2.612,1186 11.139,1187 3.126,1188 1.988,1189 1.963,1190 2.067,1191 2.128,1192 1.232,1193 2.101,1194 1.898,1195 1.874,1196 2.005,1197 2.004,1198 1.152,1199 2.004,1200 1.734,1201 1.69,1202 1.877,1203 1.95,1204 1.026,1205 1.911,1206 1.402,1207 1.323,1208 1.678,1209 1.696,1210 0.782,1211 1.667,1212 1.358,1213 1.281,1214 1.602,1215 1.638,1216 0.593,1217 1.649,1218 1.186,1219 1.152,1220 1.561,1221 1.574,1222 0.565,1223 1.528,1224 1.182,1225 1.1,1226 1.316,1227 1.486,1228 0.474,1229 1.507,1230 0.975,1231 0.88,1232 1.284,1233 1.36,1234 0.218,1235 1.345,1236 4.174,1238 5.501,1240 7.027,1242 8.647,1244 10.317,1246 5.329,1250 11.749,1252 1.066,1254 5.169,1257 1.827,1262 34.014,1263 88.221,1264 205.355,1265 258.848,1266 278.499,1267 278.499,1268 278.499,1269 66.604,1270 7.375,1271 136.11,1272 136.11,1273 18,1274 12.617,1275 4.392,1276 3.585,1277 55.258,1278 122,1279 150,1280 0.222,1281 213.51,1282 368.05,1283 512.724,1284 14968,1286 21.836,1287 0.728,1288 0.571,1289 21.836,1290 17.124,1291 14.333,1292 0.448,1293 0.293,1294 9.216,1295 13.624,1296 8.909,1297 7.486,1298 14.333,1299 9.384,1300 12.952,1301 0.288,1302 0.151,1303 12.952,1304 6.807,1305 10.581,1306 0.179,1307 0.082,1308 10.581,1309 4.815,1310 8.976,1311 0.117,1312 0.044,1313 8.976,1314 3.355,1315 7.074,1316 0.074,1317 0.023,1318 7.074,1319 2.193,1320 0.347,1321 91.065,1322 0.221,1323 28.237,1324 0.613,1325 154,1326 496.412,1327 171.52,1328 480.3,1329 648.03,1330 444,1331 181,1332 483.699,1333 198.164,1334 488.027,1335 703.8,1336 454,1337 6.42}
{0 CHEMBL312232,1 1.603,2 11.5,3 3.694,4 13.645,5 113.623,6 7.57,7 0.6,8 4.007,9 4.144,10 3.57,11 3.522,12 5.217,13 3.508,14 4.483,15 4.656,16 3.904,17 3.897,18 5.749,19 3.855,20 4.728,21 4.943,22 3.983,23 4.032,24 5.802,25 3.978,26 4.798,27 5,28 4.014,29 4.051,30 5.99,31 3.99,32 4.898,33 5.129,34 3.925,35 4.045,36 6.038,37 3.97,38 4.9,39 5.166,40 3.823,41 3.95,42 5.98,43 3.857,44 4.728,45 4.974,46 3.851,47 3.792,48 6.065,49 3.739,50 4.55,51 4.755,52 3.664,53 3.663,54 5.852,55 3.632,56 0.165,57 0.781,58 10.032,59 3.976,60 15.13,61 5.48,62 0.28,63 1.175,64 17.404,65 7.147,66 51.88,67 9.794,68 0.256,69 1.415,70 23.839,71 8.289,72 33.294,73 12.045,74 0.356,75 1.478,76 25.436,77 8.935,78 51.17,79 12.768,80 0.427,81 1.542,82 29.757,83 8.842,84 72.334,85 13.039,86 0.54,87 1.424,88 32.063,89 9.433,90 81.561,91 13.968,92 0.675,93 1.188,94 26.794,95 7.927,96 102.255,97 11.591,98 0.4,99 1.02,100 21.304,101 6.17,102 62.901,103 8.345,104 30,105 41,106 0.268,107 0.609,108 0.758,109 0.852,110 0.861,111 0.861,112 3.374,113 0.898,114 -5.05,115 -4.95,116 -4.64,119 40,120 1,121 2,125 1,139 8,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 12,169 2,170 4,172 3,173 3,175 3,178 13,180 1,182 7,185 1,187 4,189 9,191 1,193 11,195 1,196 3,197 1,198 8,200 2,201 5,204 5,205 1,207 8,212 7,215 6,218 4,220 2,221 4,223 1,224 1,226 3,229 6,231 2,233 4,234 7,236 2,237 4,238 1,239 2,240 1,241 8,243 1,246 8,248 1,249 1,251 1,254 8,260 7,262 2,263 2,264 1,265 1,267 1,268 7,270 1,273 1268,274 18.784,275 18.784,276 18.784,277 18.784,278 18.784,279 16.238,280 22.584,281 11.157,282 19.078,283 14.744,284 14.744,285 14.744,286 14.744,287 14.744,288 10.929,289 28.513,290 5.19,291 15.218,292 4.041,293 2.003,294 1.11,295 0.55,296 0.495,297 0.495,298 4.055,301 1,302 1,303 678,304 3.317,307 303.148,314 1.964,315 31.645,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 61,327 322,328 4.557,329 3.806,330 6.777,331 4.163,332 3.185,333 4.297,334 2.612,335 11.103,336 3.116,337 4.339,338 3.232,339 6.403,340 3.89,341 2.926,342 4.023,343 0.4,344 9.753,345 2.817,346 3.896,347 2.776,348 5.341,349 3.518,350 2.52,351 3.444,353 6.967,354 2.516,355 3.707,356 2.676,357 5.325,358 3.231,359 2.291,360 3.173,362 6.702,363 2.153,364 3.498,365 2.355,366 5.038,367 2.96,368 2,369 2.839,371 5.704,372 1.916,373 3.3,374 2.224,375 4.915,376 2.932,377 1.983,378 2.549,380 5.34,381 1.877,382 3.124,383 1.906,384 4.77,385 2.719,386 1.769,387 2.338,389 5.001,390 1.675,391 2.935,392 1.647,393 3.694,394 2.53,395 1.535,396 2.103,398 3.228,399 1.527,400 2.611,401 1.421,402 3.618,403 2.039,404 1.07,405 1.598,407 2.43,408 1.035,409 2.5,410 1.162,411 3.402,412 2,413 1,414 1.5,415 2.354,416 1,417 2.262,418 1,419 3.266,420 2,421 1,422 1.232,423 2.136,424 1,425 1.739,426 1,427 3.247,428 1.55,429 0.567,430 0.641,431 1.129,432 0.557,433 1.417,434 0.685,435 2.767,436 1.158,437 0.193,438 0.226,439 0.389,440 0.186,441 1.18,442 0.349,443 2.663,444 0.866,445 -0.085,446 -0.103,448 -0.21,449 -0.081,450 1,451 0.075,452 2.415,453 0.481,454 -0.473,455 -0.585,457 -1.138,458 -0.435,459 13.067,460 0.467,461 0.682,462 0.024,463 40.25,464 1.438,465 22.5,466 0.804,467 17.75,468 0.634,469 20.324,470 0.726,471 30.133,472 0.603,473 31.349,474 1.12,475 7.886,476 0.282,477 5.605,478 0.2,479 0.151,481 0.337,485 0.623,486 1.14,487 0.801,488 0.931,489 0.698,490 0.891,491 0.426,492 1.06,493 0.763,494 1.065,495 0.347,496 0.99,497 0.759,498 1.096,499 0.86,500 0.996,501 0.566,502 0.941,503 0.805,504 1.277,505 0.995,506 1.242,507 0.78,508 1.169,509 1.247,510 1.162,511 1.196,512 1.126,513 1.162,514 1.136,515 1.136,516 0.883,517 0.993,518 0.914,519 1.215,520 0.927,521 0.927,522 0.804,523 0.803,524 0.843,525 1.105,526 0.82,527 1.856,528 1.023,529 1.218,530 1.032,531 1.936,532 1.027,533 5.5,534 0.153,535 2.889,536 2.375,537 1.569,538 1.063,539 0.891,540 0.431,541 0.32,542 0.152,543 9496,544 26953,545 2.013,546 44,547 3,548 10,551 5,552 2,553 2,555 1.711,556 1.867,557 3.443,558 2.502,560 1,564 80.137,565 1.603,566 3.641,567 4.534,568 5.094,569 5.149,570 5.149,571 2.914,572 4.253,573 4.775,574 3.644,575 1377.39,576 8.31,577 18298.6,579 1,581 1,582 282.193,583 1.47,584 4.727,585 0.183,586 0.01,587 0.07,588 0.054,589 0.036,590 0.028,591 0.026,592 0.012,593 0.011,594 0.007,595 0.438,597 1,598 0.887,599 140.993,600 0.104,601 0.103,602 0.019,603 0.123,604 -0.085,605 0.068,606 0.282,607 0.062,608 0.102,610 0.281,611 0.012,612 -0.031,613 -0.03,614 0.055,615 0.016,616 0.005,617 0.05,618 0.081,619 -0.224,620 -0.071,621 -0.234,622 0.06,623 -0.192,624 -0.223,625 -0.141,626 -0.223,627 -0.176,628 -0.161,629 -0.189,630 -0.064,631 0.034,632 0.036,633 0.034,634 -0.129,635 0.05,636 0.352,637 0.119,638 0.241,639 0.103,640 0.25,641 0.139,642 -0.309,643 -0.041,644 -0.195,645 -0.089,646 -0.22,647 -0.114,648 2.408,649 4.615,650 0.643,651 28.051,652 1.007,653 1.135,654 3.824,655 14.624,656 0.661,657 3.434,658 3.738,659 3.989,660 4.248,661 4.431,662 4.454,663 4.554,664 4.595,665 4.654,666 4.625,667 6.746,668 0.635,669 378.48,670 3.434,671 4.963,672 5.802,673 6.676,674 7.534,675 8.415,676 9.282,677 10.166,678 11.038,679 11.926,680 12,684 2,685 1,690 2,691 1,695 8,696 2,700 8,702 18,711 2,712 1,713 1,718 50,719 20,720 2,721 30,723 52,724 20,725 16,726 4,727 8,729 3,730 3,734 1,739 2,741 16,742 4,744 2,746 1,748 2,754 1,757 22,758 7,759 5,760 8,764 6,769 1,770 2,776 1,781 3,802 3,806 1,810 28,811 2,816 3,817 1,829 4,835 2,836 15,837 9.017,838 6.306,839 2.976,840 3.185,841 1.442,842 0.983,843 6.193,844 10.385,845 3.738,846 4.35,847 4.9,848 5.475,849 5.994,850 6.199,851 6.564,852 6.859,853 7.214,854 7.442,855 0.875,856 44,857 10.312,859 4.344,860 7.94,861 19.26,863 15.347,865 2.44,866 68.333,868 1,869 1,870 200.109,871 113.864,872 123.046,874 50.747,877 113.864,878 250.856,879 123.046,880 14.495,881 7.175,882 141.604,883 51.582,884 17.827,885 4.227,886 200.109,887 50.747,888 200.109,889 236.91,890 50.747,893 176.567,894 23.542,895 50.747,897 20.656,898 159.002,899 57.252,901 200.109,902 173.793,903 113.864,906 200.109,907 29.229,908 90.305,909 18.011,910 150.112,911 200.109,912 173.793,913 113.864,915 0.574,916 0.337,917 0.189,918 0.101,919 18,920 9,921 0.135,922 7,924 1,925 3.901,926 235.251,928 18,929 128.606,933 19.74,934 8.784,935 4.65,937 168.123,938 14.904,939 8.208,943 3.722,945 83.805,946 487.766,947 41,949 -0.408,951 23.23,956 50.334,957 56.73,958 0.284,959 0.645,960 0.803,961 0.903,962 0.912,963 0.912,964 4.952,965 1.535,966 5.784,967 5.001,968 4.419,969 5.037,970 2.527,971 6.589,972 4.359,973 6.169,974 1.07,975 7.34,976 3.228,977 4.007,978 4.89,979 2.361,980 7.513,981 3.909,982 7.481,983 1,984 9,985 2.43,986 5.999,987 7.255,988 4.155,989 10.619,990 5.883,991 8.83,992 1,993 10.721,994 2.354,995 6.399,996 7.898,997 4.506,998 12.4,999 6.251,1000 10.209,1001 0.567,1002 12.484,1003 2.136,1004 7.871,1005 9.753,1006 5.948,1007 15.033,1008 7.707,1009 11.611,1010 0.193,1011 14.276,1012 1.129,1013 8.658,1014 10.774,1015 6.556,1016 17.172,1017 8.465,1018 13.03,1019 -0.085,1020 16.09,1021 0.389,1022 9.921,1023 12.41,1024 7.794,1025 19.643,1026 9.71,1027 3.185,1028 -0.473,1029 17.921,1030 -0.21,1031 10.895,1032 13.627,1033 8.548,1034 21.93,1035 10.658,1036 2.926,1037 11.103,1038 19.765,1039 -1.138,1040 12.074,1041 15.161,1042 9.67,1043 24.346,1044 11.818,1045 2.52,1046 9.753,1047 21.62,1048 4.297,1049 13.136,1050 16.482,1051 10.509,1052 26.693,1053 12.854,1054 2.291,1055 6.967,1056 23.484,1057 4.023,1058 14.286,1059 17.966,1060 11.563,1061 29.09,1062 13.983,1063 2,1064 6.702,1065 25.355,1066 3.444,1067 15.389,1068 19.342,1069 12.452,1070 31.463,1071 15.061,1072 1.983,1073 5.704,1074 27.232,1075 3.173,1076 16.529,1077 20.803,1078 13.468,1079 33.857,1080 16.18,1081 1.769,1082 5.34,1083 29.113,1084 2.839,1085 17.652,1086 22.209,1087 14.386,1088 36.242,1089 17.28,1090 9321,1091 15883,1092 19.592,1093 33.034,1094 44.239,1095 45.609,1096 46.061,1097 44.159,1098 44.08,1099 59.925,1100 6.025,1101 124.47,1102 42.749,1103 5.428,1104 5.806,1105 6.579,1106 5.233,1107 5.185,1108 7.297,1109 4.612,1110 17.995,1111 5.116,1112 15.247,1113 1.475,1114 1.52,1115 1.535,1116 1.472,1117 1.469,1118 1.998,1119 0.201,1120 4.149,1121 1.425,1122 4.059,1123 4.091,1124 4.028,1125 3.953,1126 7.815,1127 3.962,1128 3.91,1129 3.945,1130 3.836,1131 3.85,1132 6.999,1133 3.843,1134 3.828,1135 3.875,1136 3.799,1137 3.642,1138 5.285,1139 3.668,1140 3.49,1141 3.541,1142 3.44,1143 3.27,1144 4.98,1145 3.26,1146 3.413,1147 3.489,1148 3.272,1149 3.191,1150 4.762,1151 3.188,1152 3.384,1153 3.453,1154 3.204,1155 3.031,1156 4.686,1157 3.124,1158 3.091,1159 3.203,1160 2.969,1161 2.853,1162 4.416,1163 2.872,1164 2.926,1165 3.017,1166 2.781,1167 2.735,1168 4.097,1169 2.715,1170 0.152,1171 0.127,1172 0.226,1173 0.139,1174 0.106,1175 4.557,1176 0.143,1177 3.806,1178 0.087,1179 6.777,1180 0.37,1181 4.163,1182 0.104,1183 3.185,1184 4.297,1185 2.612,1186 11.103,1187 3.116,1188 1.982,1189 1.957,1190 2.072,1191 2.123,1192 1.245,1193 2.096,1194 1.915,1195 1.885,1196 2.033,1197 2.004,1198 1.188,1199 2.019,1200 1.735,1201 1.69,1202 1.879,1203 1.954,1204 1.028,1205 1.916,1206 1.432,1207 1.36,1208 1.699,1209 1.688,1210 0.872,1211 1.67,1212 1.379,1213 1.296,1214 1.614,1215 1.637,1216 0.61,1217 1.653,1218 1.186,1219 1.152,1220 1.288,1221 1.577,1222 0.284,1223 1.523,1224 1.005,1225 0.927,1226 1.259,1227 1.365,1228 0.218,1229 1.349,1230 0.886,1231 0.821,1232 1.181,1233 1.154,1234 0.213,1235 1.169,1236 4.111,1238 5.416,1240 6.923,1242 8.527,1244 10.184,1246 1.915,1250 11.689,1252 1.924,1253 3.15,1262 31.772,1263 80.137,1264 182.054,1265 226.683,1266 254.683,1267 257.438,1268 257.438,1269 58.985,1270 7.2,1271 135.67,1272 135.67,1273 18,1274 12.46,1275 4.392,1276 3.585,1277 49.689,1278 112,1279 122,1280 0.216,1281 199.921,1282 341.96,1283 479.568,1284 12454,1286 20.096,1287 0.718,1288 0.555,1289 20.096,1290 15.553,1291 13.49,1292 0.45,1293 0.299,1294 8.864,1295 12.972,1296 8.665,1297 7.239,1298 13.49,1299 8.977,1300 11.976,1301 0.292,1302 0.154,1303 11.976,1304 6.294,1305 9.606,1306 0.181,1307 0.083,1308 9.606,1309 4.419,1310 8.286,1311 0.12,1312 0.045,1313 8.286,1314 3.091,1315 6.427,1316 0.077,1317 0.024,1318 6.427,1319 2.03,1320 0.34,1321 84.689,1322 0.226,1323 26.853,1324 0.593,1325 142,1326 433.364,1327 156.281,1328 427.031,1329 578.18,1330 394,1331 165,1332 435.379,1333 178.507,1334 437.387,1335 631.43,1336 411,1337 7.155}
{0 CHEMBL312282,1 1.615,2 9.24,3 2.82,4 7.954,5 97.216,6 7.565,7 0.444,8 3.92,9 4.064,10 3.49,11 3.367,12 5.122,13 3.373,14 4.43,15 4.623,16 3.814,17 3.746,18 5.538,19 3.725,20 4.65,21 4.87,22 3.911,23 3.927,24 5.661,25 3.886,26 4.693,27 4.897,28 3.96,29 4.01,30 5.79,31 3.947,32 4.855,33 5.096,34 3.916,35 4.024,36 5.955,37 3.946,38 4.86,39 5.145,40 3.759,41 3.872,42 5.917,43 3.771,44 4.602,45 4.896,46 3.574,47 3.576,48 5.708,49 3.498,50 4.259,51 4.5,52 3.483,53 3.362,54 5.616,55 3.344,56 0.119,57 0.73,58 9.265,59 3.365,60 18.885,61 4.821,62 0.327,63 1.073,64 17.48,65 5.878,66 33.072,67 8.425,68 0.415,69 1.294,70 22.61,71 6.76,72 30.229,73 10.429,74 0.247,75 1.41,76 22.128,77 7.866,78 31.013,79 11.898,80 0.41,81 1.475,82 27.988,83 7.702,84 56.177,85 12.679,86 0.568,87 1.283,88 30.812,89 7.663,90 68.957,91 13.028,92 0.553,93 0.974,94 24.391,95 5.701,96 62.642,97 9.731,98 0.368,99 0.809,100 15.603,101 3.281,102 61.983,103 5.838,104 22,105 37,106 0.279,107 0.659,108 0.798,109 0.832,110 0.832,111 0.832,112 3.268,113 0.901,114 -2.98,115 -2.98,116 -2.87,119 35.6,120 1,121 1,125 4,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,162 1,166 5,168 1,169 1,170 5,171 1,172 3,173 3,175 1,178 5,180 1,181 2,182 7,187 1,189 4,191 2,193 8,195 2,196 1,197 1,198 5,200 2,201 3,202 1,204 7,205 1,207 5,208 1,212 4,215 3,216 2,218 6,220 3,221 3,223 1,224 1,226 2,229 1,230 2,231 2,233 2,234 3,236 4,237 1,239 1,240 1,243 2,244 1,246 2,247 3,248 1,249 1,252 1,255 1,256 1,257 1,262 1,263 1,267 1,269 1,272 1,273 840,274 17.085,275 17.085,276 17.085,277 17.085,278 17.085,279 15.144,280 23.117,281 10.232,282 17.564,283 13.246,284 13.246,285 13.246,286 13.246,287 13.246,288 10.473,289 28.185,290 4.675,291 14.013,292 3.876,293 1.68,294 0.878,295 0.683,296 0.683,297 0.683,298 3.948,300 1,301 1,302 1,303 487,304 2.646,307 247.779,314 1.43,315 23.858,317 1,318 1,319 0.83,320 1,321 0.8,322 0.5,323 1,324 1,325 0.88,326 55,327 231,328 4.544,329 3.295,330 6.776,331 4.163,332 3.187,333 4.265,334 0.86,335 11.102,336 3.113,337 4.285,338 3.172,339 6.494,340 3.928,341 2.977,342 3.886,343 0.8,344 10.159,345 2.833,346 3.682,347 2.59,348 5.425,349 3.317,350 2.379,351 3.056,353 6.999,354 2.228,355 3.436,356 2.34,357 5.159,358 3.081,359 2.151,360 2.627,362 6.16,363 1.996,364 3.302,365 2.224,366 5.038,367 2.931,368 1.983,369 2.551,371 5.698,372 1.875,373 3.198,374 2.098,375 4.732,376 2.692,377 1.735,378 2.431,380 4.859,381 1.654,382 2.923,383 1.846,384 4.163,385 2.532,386 1.609,387 1.97,389 3.784,390 1.482,391 2.702,392 1.368,393 3.513,394 2.03,395 1.123,396 1.707,398 2.647,399 1.008,400 2.278,401 1.256,402 3.314,403 2,404 1,405 1.258,407 2.136,408 1,409 2,410 1,411 3.247,412 1.952,413 1,414 1,415 1.768,416 0.946,417 1.712,418 0.662,419 3.178,420 1.523,421 0.543,422 0.613,423 1.035,424 0.531,425 1.412,426 0.201,427 2.753,428 1.03,429 0.082,430 0.099,431 0.172,432 0.078,433 1.29,434 -0.014,435 2.534,436 0.792,437 -0.161,438 -0.209,439 -0.322,440 -0.153,441 0.876,442 -0.305,443 2.384,444 0.441,445 -0.477,446 -0.587,448 -1.143,449 -0.436,450 0.819,451 -0.36,452 2.255,453 0.384,454 -0.578,455 -0.722,457 -1.244,458 -0.554,459 11.533,460 0.461,461 0.537,462 0.021,463 32.5,464 1.3,465 16,466 0.64,467 16.5,468 0.66,469 19.758,470 0.79,471 27.467,472 0.61,473 24.711,474 0.988,475 6.494,476 0.26,477 5.641,478 0.226,479 0.147,481 0.338,485 0.892,486 1.313,487 0.796,488 1.136,489 0.782,490 0.972,491 1,492 0.992,493 0.814,494 0.955,495 0.431,496 0.886,497 1.054,498 1.001,499 0.911,500 0.86,501 0.626,502 0.864,503 0.599,504 1.332,505 0.938,506 1.321,507 0.542,508 1.209,509 0.989,510 1.241,511 1.145,512 1.215,513 1.084,514 1.197,515 0.917,516 0.991,517 0.988,518 0.999,519 1.016,520 0.999,521 0.897,522 0.784,523 0.854,524 0.778,525 1.406,526 0.804,527 1.127,528 1.13,529 1.071,530 0.99,531 1.574,532 0.998,533 4.5,534 0.082,535 2.667,536 2.375,537 1.449,538 0.958,539 0.704,540 0.443,541 0.246,542 0.136,543 6301,544 18733,545 2.038,546 44.4,547 3,548 11,551 4,552 2,555 1.686,556 1.899,557 3.178,558 1.855,560 1,564 72.695,565 1.615,566 3.812,567 4.614,568 4.808,569 4.808,570 4.808,571 2.677,572 4.484,573 4.615,574 3.317,575 995.013,576 8.013,577 11778.7,579 1,581 1,582 247.133,583 1.44,584 4.569,585 0.167,586 0.007,587 0.072,588 0.058,589 0.034,590 0.025,591 0.023,592 0.017,593 0.01,594 0.008,595 0.421,596 0.17,597 1,598 1.086,599 118.668,600 -0.012,601 -0.014,602 0.04,603 -0.017,604 -0.018,605 0.018,606 0.042,607 0.128,608 0.101,609 0.122,610 0.176,611 0.112,612 -0.112,613 0.078,614 0.018,615 0.185,616 -0.036,617 0.132,618 0.046,619 -0.193,620 -0.068,621 -0.214,622 0.098,623 -0.173,624 -0.169,625 -0.188,626 -0.212,627 -0.217,628 -0.172,629 -0.218,630 0.015,631 -0.089,632 0.019,633 -0.056,634 -0.05,635 -0.02,636 0.154,637 0.089,638 0.185,639 0.122,640 -0.06,641 0.151,642 -0.001,643 -0.056,644 -0.09,645 -0.119,646 0.139,647 -0.118,648 1.515,649 2.945,650 0.72,651 20.528,652 1.01,653 1.149,654 1.746,655 3.049,656 0.646,657 3.332,658 3.638,659 3.932,660 4.234,661 4.443,662 4.5,663 4.605,664 4.71,665 4.718,666 4.736,667 5.561,668 0.623,669 340.44,670 3.332,671 4.86,672 5.714,673 6.6,674 7.475,675 8.37,676 9.252,677 10.15,678 11.036,679 11.936,680 17.8,684 2,686 1,690 2,692 1,693 1,695 3,696 2,700 7,702 12,711 2,714 1,718 45,719 14,720 1,721 27,723 47,724 16,725 10,726 3,727 3,729 3,730 3,734 1,739 1,741 10,742 6,744 2,750 1,753 1,754 1,757 20,758 8,759 4,760 9,764 8,765 1,769 1,770 1,776 1,781 3,801 1,802 3,806 1,810 25,811 2,816 5,818 1,821 1,829 2.2,833 1,836 13.167,837 8.3,838 5.722,839 2.744,840 2.535,841 1.36,842 0.969,843 5.247,844 9.569,845 3.584,846 4.159,847 4.732,848 5.347,849 5.888,850 6.212,851 6.59,852 6.967,853 7.239,854 7.544,855 1,856 41,857 9.151,859 3.795,860 7.847,861 17.292,863 13.789,865 2.347,866 58.667,870 188.338,871 72.053,872 166.017,874 11,877 72.053,878 199.338,879 166.017,880 17.222,881 4.211,882 103.699,883 53.297,884 33.571,885 4.227,886 164.795,888 188.338,889 238.071,890 11,893 164.795,894 22,897 21.877,898 140.145,899 50.357,901 188.338,902 177.017,903 72.053,906 188.338,907 34.799,908 40.378,910 173.893,911 188.338,912 177.017,913 72.053,915 0.566,916 0.343,917 0.206,918 0.114,919 17,920 8,921 0.085,922 4,924 1,925 3.563,926 208.691,928 18,929 112.096,933 17.308,934 7.578,935 3.616,937 161.702,938 5.681,939 8.334,943 4.163,945 65.794,946 437.408,947 35,953 3.862,956 45.443,957 51.687,958 0.294,959 0.694,960 0.84,961 0.876,962 0.876,963 0.876,964 4.812,965 1.123,966 5.694,967 3.784,968 4.317,969 4.844,970 1.235,971 6.526,972 4.217,973 6.008,974 1,975 7.262,976 2.647,977 3.892,978 4.62,979 0.325,980 7.489,981 3.757,982 7.312,983 1,984 8.936,985 2.136,986 5.916,987 7.027,988 0.938,989 10.625,990 5.737,991 8.655,992 0.543,993 10.673,994 1.768,995 6.33,996 7.634,997 0.268,998 12.44,999 6.132,1000 10.033,1001 0.082,1002 12.451,1003 1.035,1004 7.819,1005 9.512,1006 0.732,1007 15.089,1008 7.58,1009 11.434,1010 -0.161,1011 14.258,1012 0.172,1013 8.628,1014 10.525,1015 0.188,1016 17.247,1017 8.375,1018 12.856,1019 -0.477,1020 16.086,1021 -0.322,1022 9.902,1023 12.17,1024 0.57,1025 19.728,1026 9.614,1027 3.187,1028 -0.578,1029 17.93,1030 -1.143,1031 10.895,1032 13.39,1033 0.125,1034 22.023,1035 10.591,1036 2.977,1037 11.102,1038 19.785,1039 -1.244,1040 12.083,1041 14.924,1042 0.438,1043 24.444,1044 11.75,1045 2.379,1046 10.159,1047 21.65,1048 4.265,1049 13.159,1050 16.25,1051 0.082,1052 26.793,1053 12.806,1054 2.151,1055 6.999,1056 23.522,1057 3.886,1058 14.315,1059 17.731,1060 0.334,1061 29.193,1062 13.936,1063 1.983,1064 6.16,1065 25.4,1066 3.056,1067 15.428,1068 19.11,1069 0.054,1070 31.565,1071 15.028,1072 1.735,1073 5.698,1074 27.283,1075 2.627,1076 16.574,1077 20.567,1078 0.252,1079 33.958,1080 16.149,1081 1.609,1082 4.859,1083 29.17,1084 2.551,1085 17.703,1086 21.974,1087 0.035,1088 36.341,1089 17.256,1090 6250,1091 10894,1092 17.8,1093 29.069,1094 39.837,1095 39.839,1096 41.805,1097 39.602,1098 39.543,1099 50.925,1100 3.32,1101 113.036,1102 37.486,1103 5.544,1104 5.295,1105 6.578,1106 5.266,1107 5.187,1108 7.265,1109 1.72,1110 18.071,1111 5.113,1112 12.641,1113 1.475,1114 1.476,1115 1.548,1116 1.467,1117 1.465,1118 1.886,1119 0.123,1120 4.187,1121 1.388,1122 4.034,1123 4.071,1124 3.999,1125 3.941,1126 6.727,1127 3.95,1128 3.826,1129 3.883,1130 3.776,1131 3.654,1132 5.285,1133 3.676,1134 3.655,1135 3.709,1136 3.549,1137 3.459,1138 4.981,1139 3.47,1140 3.393,1141 3.486,1142 3.302,1143 3.191,1144 4.773,1145 3.184,1146 3.32,1147 3.426,1148 3.204,1149 2.948,1150 4.589,1151 3.02,1152 3.111,1153 3.206,1154 2.981,1155 2.941,1156 4.422,1157 2.91,1158 3.093,1159 3.206,1160 2.866,1161 2.829,1162 4.148,1163 2.855,1164 2.911,1165 2.994,1166 2.775,1167 2.615,1168 3.966,1169 2.643,1170 0.168,1171 0.122,1172 0.251,1173 0.154,1174 0.118,1175 4.544,1176 0.158,1177 3.295,1178 0.032,1179 6.776,1180 0.411,1181 4.163,1182 0.115,1183 3.187,1184 4.265,1185 0.86,1186 11.102,1187 3.113,1188 1.973,1189 1.946,1190 2.052,1191 2.091,1192 1.255,1193 2.079,1194 1.758,1195 1.708,1196 1.921,1197 1.968,1198 1.15,1199 1.952,1200 1.599,1201 1.545,1202 1.815,1203 1.813,1204 0.987,1205 1.806,1206 1.38,1207 1.295,1208 1.614,1209 1.634,1210 0.825,1211 1.653,1212 1.153,1213 1.064,1214 1.513,1215 1.51,1216 0.602,1217 1.429,1218 1.106,1219 1.015,1220 1.27,1221 1.376,1222 0.253,1223 1.423,1224 0.993,1225 0.909,1226 1.199,1227 1.366,1228 0.182,1229 1.347,1230 0.831,1231 0.731,1232 1.138,1233 1.149,1234 0.123,1235 1.148,1236 4.007,1238 5.313,1240 6.836,1242 8.464,1244 10.145,1246 1.973,1250 11.767,1252 3.46,1254 5.381,1257 2.14,1262 28.047,1263 72.695,1264 171.518,1265 207.624,1266 216.379,1267 216.379,1268 216.379,1269 40.608,1270 7.034,1271 139.05,1272 139.05,1273 18,1274 12.461,1275 3.907,1276 3.17,1277 41.497,1278 84,1279 79,1280 0.25,1281 176.999,1282 302.15,1283 423.638,1284 9206,1286 17.811,1287 0.712,1288 0.561,1289 17.811,1290 14.028,1291 12.135,1292 0.449,1293 0.3,1294 7.952,1295 11.486,1296 7.794,1297 6.446,1298 12.135,1299 8.105,1300 10.483,1301 0.283,1302 0.153,1303 10.483,1304 5.648,1305 8.746,1306 0.175,1307 0.083,1308 8.746,1309 4.146,1310 7.874,1311 0.116,1312 0.044,1313 7.874,1314 3.006,1315 6.213,1316 0.074,1317 0.024,1318 6.213,1319 2.001,1320 0.381,1321 77.187,1322 0.237,1323 23.833,1324 0.724,1325 128,1326 402.522,1327 143.201,1328 392.137,1329 532.64,1330 366,1331 151,1332 392.601,1333 165.925,1334 395.184,1335 574.28,1336 371,1337 5.027}
{0 CHEMBL312337,1 1.569,2 9.926,3 4.001,4 16.008,5 109.504,6 6.991,7 0.414,8 4.056,9 4.202,10 3.556,11 3.531,12 5.17,13 3.504,14 4.604,15 4.806,16 3.918,17 3.947,18 5.741,19 3.889,20 4.889,21 5.128,22 4.038,23 4.137,24 5.839,25 4.062,26 4.989,27 5.217,28 4.101,29 4.204,30 6.053,31 4.12,32 5.088,33 5.335,34 4.049,35 4.222,36 6.152,37 4.126,38 5.111,39 5.381,40 3.918,41 4.112,42 6.157,43 3.997,44 4.914,45 5.179,46 3.85,47 3.861,48 6.171,49 3.782,50 4.635,51 4.862,52 3.561,53 3.622,54 5.864,55 3.57,56 0.147,57 0.819,58 12.031,59 4.366,60 14.469,61 6.554,62 0.303,63 1.27,64 21.943,65 7.935,66 53.115,67 11.719,68 0.268,69 1.572,70 30.005,71 9.592,72 32.602,73 15.076,74 0.388,75 1.688,76 33.251,77 10.791,78 49.626,79 16.631,80 0.391,81 1.747,82 37.494,83 10.958,84 68.733,85 17.458,86 0.596,87 1.579,88 39.969,89 11.233,90 91.741,91 17.509,92 0.79,93 1.233,94 33.448,95 8.763,96 119.871,97 13.655,98 0.504,99 0.958,100 25.131,101 6.143,102 82.961,103 9.286,104 41,105 41,106 0.262,107 0.58,108 0.749,109 0.816,110 0.834,111 0.834,112 3.341,113 0.968,114 -5.06,115 -4.96,116 -4.65,119 35.8,120 1,121 6,124 1,127 1,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 9,169 2,170 7,172 3,173 3,175 1,178 9,180 1,181 1,182 11,187 1,189 6,191 1,192 2,193 13,195 1,196 1,197 1,198 5,200 2,201 5,204 5,205 1,207 10,212 4,215 9,218 4,220 2,221 7,223 1,224 1,226 2,229 8,231 2,233 6,234 9,236 3,237 3,239 1,241 6,243 1,246 5,248 1,249 1,254 3,260 4,262 3,263 3,265 2,268 3,270 2,273 1028,274 17.922,275 17.922,276 17.922,277 17.922,278 17.922,279 16.152,280 22.55,281 10.427,282 18.254,283 14.212,284 14.212,285 14.212,286 14.212,287 14.212,288 11.465,289 31.556,290 4.811,291 14.755,292 4.159,293 2.261,294 1.25,295 0.849,296 0.745,297 0.745,298 4.016,300 1,301 1,302 1,303 563,304 3.317,307 279.392,314 1.569,315 31.258,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 59,327 268,328 4.573,329 3.817,330 6.802,331 4.188,332 3.216,333 4.306,334 2.612,335 11.178,336 3.132,337 4.385,338 3.242,339 6.673,340 4.014,341 3.058,342 4.043,343 0.8,344 10.659,345 2.922,346 3.822,347 3.172,348 5.95,349 3.582,350 2.62,351 3.182,353 8.21,354 2.521,355 3.702,356 2.509,357 5.323,358 3.226,359 2.286,360 3.022,362 6.679,363 2.15,364 3.364,365 2.282,366 5.038,367 2.956,368 1.991,369 2.578,371 5.704,372 1.925,373 3.296,374 2.216,375 4.987,376 2.932,377 1.976,378 2.534,380 5.369,381 1.878,382 3.094,383 1.907,384 4.772,385 2.737,386 1.783,387 2.243,389 5.003,390 1.693,391 2.628,392 1.611,393 3.929,394 2.422,395 1.436,396 1.611,398 3.253,399 1.414,400 2.544,401 1.306,402 3.612,403 2,404 1,405 1.548,407 2.425,408 1,409 2,410 1,411 3.403,412 2,413 1,414 1,415 2.136,416 1,417 1.916,418 1,419 3.26,420 1.772,421 0.806,422 0.872,423 1.947,424 0.777,425 1.676,426 0.946,427 3.247,428 1.494,429 0.514,430 0.579,431 0.955,432 0.503,433 1.291,434 0.626,435 2.746,436 0.975,437 0.03,438 0.036,439 0.066,440 0.028,441 1,442 0.136,443 2.475,444 0.469,445 -0.472,446 -0.584,448 -1.143,449 -0.434,450 0.87,451 -0.241,452 2.364,453 0.431,454 -0.506,455 -0.636,457 -1.304,458 -0.482,459 12.567,460 0.465,461 0.754,462 0.028,463 34,464 1.259,465 16.5,466 0.611,467 17.5,468 0.648,469 24.796,470 0.918,471 30.633,472 0.578,473 26.495,474 0.981,475 6.039,476 0.224,477 6.879,478 0.255,479 0.196,481 0.382,485 0.598,486 1.362,487 0.857,488 1.121,489 0.662,490 1.036,491 0.462,492 1.1,493 0.777,494 1.066,495 0.289,496 0.985,497 0.716,498 1.102,499 0.838,500 0.991,501 0.467,502 0.93,503 0.739,504 1.206,505 0.939,506 1.169,507 0.673,508 1.099,509 1.049,510 1.15,511 1.087,512 1.145,513 0.957,514 1.114,515 1.238,516 0.948,517 1.031,518 1.002,519 1.414,520 0.995,521 1.196,522 0.818,523 0.907,524 0.883,525 1.46,526 0.869,527 2.25,528 0.986,529 1.282,530 0.931,531 2.575,532 0.977,533 5.5,534 0.083,535 3.333,536 2.875,537 1.969,538 1.188,539 0.871,540 0.545,541 0.382,542 0.136,543 7695,544 19353,545 1.992,546 49.1,547 9,548 7,551 4,552 2,553 4,555 1.706,556 1.82,557 3.262,558 1.734,560 1,564 83.148,565 1.569,566 3.467,567 4.478,568 4.878,569 4.982,570 4.982,571 2.745,572 4.533,573 4.726,574 3.414,575 1198.46,576 8.233,577 14901.8,579 1,581 1,582 303.58,583 1.541,584 4.659,585 0.19,586 0.005,587 0.081,588 0.063,589 0.042,590 0.028,591 0.024,592 0.017,593 0.015,594 0.007,595 0.471,597 1,598 0.936,599 131.711,600 0.136,601 -0.016,602 0.041,603 0.052,604 -0.037,605 0.032,606 0.26,607 0.073,608 0.141,609 0.049,610 0.307,611 0.069,612 -0.011,613 -0.009,614 0.097,615 0.06,616 0.056,617 0.096,618 0.084,619 -0.122,620 0.004,621 -0.112,622 0.074,623 -0.076,624 -0.132,625 -0.108,626 -0.122,627 -0.143,628 -0.066,629 -0.125,630 -0.082,631 -0.036,632 -0.024,633 -0.047,634 -0.151,635 -0.031,636 0.243,637 0.066,638 0.142,639 0.033,640 0.143,641 0.061,642 -0.389,643 -0.063,644 -0.199,645 -0.009,646 -0.35,647 -0.073,648 2.335,649 4.782,650 0.667,651 22.881,652 1.002,653 1.143,654 3.83,655 14.665,656 0.633,657 3.401,658 3.738,659 4.025,660 4.304,661 4.511,662 4.554,663 4.673,664 4.736,665 4.804,666 4.762,667 5.877,668 0.6,669 370.51,670 3.401,671 4.949,672 5.808,673 6.701,674 7.58,675 8.478,676 9.365,677 10.265,678 11.156,679 12.058,680 11.3,684 2,686 1,690 2,691 1,695 3,696 2,700 7,702 12,711 2,713 1,714 1,718 53,719 14,720 1,721 29,723 55,724 19,725 10,726 3,727 3,729 3,730 3,734 1,736 6,739 7,741 10,742 9,744 2,746 1,748 2,754 1,757 26,758 7,759 4,760 8,764 6,769 1,770 2,776 1,781 3,802 3,806 2,810 27,811 2,816 6,820 1,821 1,829 3.8,835 2,836 14.833,837 9.883,838 6.028,839 3.453,840 2.41,841 1.337,842 0.96,843 5.928,844 9.557,845 3.638,846 4.234,847 4.783,848 5.366,849 5.899,850 6.203,851 6.597,852 6.903,853 7.255,854 7.45,855 0.857,856 46,857 10.008,859 4.262,860 7.87,861 19.048,863 15.687,865 2.37,866 64,868 1,869 1,870 258.964,871 79.726,872 108.16,874 50.747,877 79.726,878 309.711,879 108.16,880 22.892,881 15.207,882 94.223,883 33.571,884 17.766,885 4.227,886 258.964,887 50.747,888 258.964,889 187.886,890 50.747,893 211.88,894 47.084,895 50.747,897 28.688,898 119.956,899 39.241,901 258.964,902 158.907,903 79.726,906 258.964,907 34.076,908 54.445,910 150.112,911 258.964,912 158.907,913 79.726,915 0.583,916 0.352,917 0.199,918 0.109,919 19,920 10,921 0.091,922 5,924 1,925 3.658,926 234.131,928 18,929 122.382,933 19.526,934 8.197,935 4.044,937 153.237,938 5.225,939 8.269,943 2.974,945 65.794,946 497.597,947 37,949 -0.335,951 23.565,956 53.101,957 60.561,958 0.274,959 0.605,960 0.782,961 0.852,962 0.87,963 0.87,964 4.89,965 1.436,966 5.814,967 5.003,968 4.419,969 4.92,970 2.577,971 6.666,972 4.346,973 6.104,974 1,975 7.404,976 3.253,977 4.111,978 4.879,979 2.396,980 7.673,981 3.982,982 7.427,983 1,984 9.097,985 2.425,986 6.047,987 7.123,988 4.162,989 10.8,990 5.901,991 8.786,992 0.806,993 10.85,994 2.136,995 6.538,996 7.872,997 4.51,998 12.628,999 6.341,1000 10.177,1001 0.514,1002 12.641,1003 1.947,1004 7.98,1005 9.644,1006 5.949,1007 15.287,1008 7.766,1009 11.59,1010 0.03,1011 14.458,1012 0.955,1013 8.832,1014 10.748,1015 6.556,1016 17.449,1017 8.574,1018 13.021,1019 -0.472,1020 16.295,1021 0.066,1022 10.085,1023 12.337,1024 7.794,1025 19.943,1026 9.807,1027 3.216,1028 -0.506,1029 18.146,1030 -1.143,1031 11.101,1032 13.612,1033 8.548,1034 22.242,1035 10.786,1036 3.058,1037 11.178,1038 20.008,1039 -1.304,1040 12.283,1041 15.122,1042 9.67,1043 24.674,1044 11.945,1045 2.62,1046 10.659,1047 21.878,1048 4.306,1049 13.373,1050 16.48,1051 10.509,1052 27.03,1053 13.001,1054 2.286,1055 8.21,1056 23.756,1057 4.043,1058 14.53,1059 17.954,1060 11.563,1061 29.44,1062 14.132,1063 1.991,1064 6.679,1065 25.639,1066 3.182,1067 15.652,1068 19.354,1069 12.452,1070 31.82,1071 15.224,1072 1.976,1073 5.704,1074 27.527,1075 3.022,1076 16.802,1077 20.812,1078 13.468,1079 34.222,1080 16.347,1081 1.783,1082 5.369,1083 29.419,1084 2.578,1085 17.939,1086 22.234,1087 14.386,1088 36.613,1089 17.455,1090 7643,1091 12334,1092 18.611,1093 33.557,1094 43.409,1095 44.92,1096 46.132,1097 43.495,1098 43.428,1099 55.108,1100 6.825,1101 127.166,1102 41.885,1103 5.573,1104 5.817,1105 6.604,1106 5.258,1107 5.216,1108 7.306,1109 4.612,1110 18.479,1111 5.132,1112 15.981,1113 1.497,1114 1.549,1115 1.591,1116 1.5,1117 1.498,1118 1.9,1119 0.235,1120 4.385,1121 1.444,1122 4.069,1123 4.102,1124 4.035,1125 3.958,1126 7.815,1127 3.968,1128 3.873,1129 3.93,1130 3.815,1131 3.745,1132 6.999,1133 3.74,1134 3.803,1135 3.851,1136 3.703,1137 3.627,1138 5.285,1139 3.644,1140 3.472,1141 3.508,1142 3.428,1143 3.201,1144 4.98,1145 3.193,1146 3.393,1147 3.485,1148 3.205,1149 3.121,1150 4.686,1151 3.13,1152 3.329,1153 3.412,1154 3.181,1155 3.029,1156 4.418,1157 3.121,1158 3.111,1159 3.206,1160 2.931,1161 2.941,1162 4.277,1163 2.91,1164 3.072,1165 3.193,1166 2.866,1167 2.807,1168 3.969,1169 2.819,1170 0.158,1171 0.132,1172 0.235,1173 0.144,1174 0.111,1175 4.573,1176 0.148,1177 3.817,1178 0.09,1179 6.802,1180 0.385,1181 4.188,1182 0.108,1183 3.216,1184 4.306,1185 2.612,1186 11.178,1187 3.132,1188 1.99,1189 1.963,1190 2.111,1191 2.133,1192 1.487,1193 2.113,1194 1.864,1195 1.81,1196 2.03,1197 2.016,1198 1.206,1199 2.029,1200 1.722,1201 1.677,1202 1.874,1203 1.944,1204 1.042,1205 1.906,1206 1.39,1207 1.306,1208 1.661,1209 1.663,1210 0.85,1211 1.66,1212 1.313,1213 1.226,1214 1.591,1215 1.633,1216 0.825,1217 1.612,1218 1.186,1219 1.152,1220 1.513,1221 1.543,1222 0.628,1223 1.516,1224 1.153,1225 1.064,1226 1.396,1227 1.376,1228 0.556,1229 1.429,1230 1.004,1231 0.908,1232 1.285,1233 1.36,1234 0.213,1235 1.345,1236 4.078,1238 5.407,1240 6.944,1242 8.578,1244 10.262,1246 3.875,1250 11.749,1252 6.299,1256 0.333,1257 2.046,1262 31.826,1263 83.148,1264 183.75,1265 237.341,1266 258.56,1267 264.07,1268 264.07,1269 60.187,1270 7.147,1271 126.88,1272 126.88,1273 18,1274 12.581,1275 3.907,1276 3.17,1277 46.725,1278 96,1279 94,1280 0.246,1281 199.111,1282 343.48,1283 477.591,1284 10675,1286 19.552,1287 0.724,1288 0.586,1289 19.552,1290 15.812,1291 12.918,1292 0.445,1293 0.323,1294 9.231,1295 12.368,1296 8.994,1297 7.515,1298 12.918,1299 9.355,1300 11.702,1301 0.285,1302 0.171,1303 11.702,1304 7.006,1305 9.67,1306 0.176,1307 0.097,1308 9.67,1309 5.327,1310 8.356,1311 0.114,1312 0.053,1313 8.356,1314 3.905,1315 6.598,1316 0.073,1317 0.03,1318 6.598,1319 2.721,1320 0.376,1321 81.422,1322 0.232,1323 25.461,1324 0.707,1325 140,1326 404.676,1327 154.974,1328 395.034,1329 536.11,1330 364,1331 166,1332 408.506,1333 180.673,1334 408.51,1335 594.08,1336 383,1337 5.602}
{0 CHEMBL312348,1 1.588,2 10.696,3 1.862,4 3.467,5 91.125,6 7.571,7 0.68,8 3.828,9 3.967,10 3.398,11 3.307,12 5.019,13 3.312,14 4.297,15 4.482,16 3.742,17 3.664,18 5.457,19 3.649,20 4.449,21 4.628,22 3.813,23 3.802,24 5.547,25 3.773,26 4.581,27 4.794,28 3.723,29 3.814,30 5.702,31 3.73,32 4.663,33 4.953,34 3.454,35 3.723,36 5.604,37 3.595,38 4.418,39 4.698,40 3.327,41 3.539,42 5.353,43 3.416,44 4.229,45 4.475,46 3.219,47 3.417,48 5.213,49 3.323,50 4.188,51 4.457,52 3.171,53 3.329,54 5.145,55 3.219,56 0.067,57 0.657,58 8.366,59 3.045,60 11.436,61 4.243,62 0.266,63 0.968,64 15.027,65 5.356,66 26.135,67 7.351,68 0.169,69 1.135,70 16.972,71 5.768,72 17.348,73 8.33,74 0.299,75 1.209,76 20.351,77 7.1,78 36.11,79 10.301,80 0.426,81 1.144,82 25.235,83 6.677,84 47.875,85 10.902,86 0.293,87 0.9,88 19.49,89 6.213,90 32.543,91 9.447,92 0.228,93 0.782,94 15.352,95 4.63,96 25.543,97 6.969,98 0.161,99 0.715,100 15.176,101 5.044,102 22.956,103 7.649,104 18,105 35,106 0.279,107 0.668,108 0.807,109 0.841,110 0.841,111 0.841,112 3.188,113 0.856,114 -3.65,115 -3.62,116 -3.45,119 39,120 1,124 1,125 1,139 4,140 3,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 5,169 2,170 6,172 3,173 3,175 4,178 5,180 1,182 5,187 4,189 2,191 1,192 1,193 5,195 3,196 4,197 1,198 5,200 2,201 2,204 3,205 1,210 1,212 1,215 4,218 1,221 2,224 2,225 1,226 2,228 1,229 6,231 2,234 3,241 4,246 5,250 1,251 2,253 1,256 2,259 1,260 6,265 2,270 2,273 714,274 15.455,275 15.455,276 15.455,277 15.455,278 15.455,279 13.322,280 21.208,281 8.953,282 15.926,283 12.239,284 12.239,285 12.239,286 12.239,287 12.239,288 9.013,289 29.964,290 4.158,291 12.914,292 3.77,293 1.56,294 0.769,295 0.573,296 0.573,297 0.573,298 3.868,300 1,301 1,302 1,303 525,304 2.646,307 192.694,311 101.516,314 1.535,315 19.041,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50,327 246,328 4.654,329 3.314,330 6.835,331 4.185,332 3.212,333 4.616,334 0.86,335 11.231,336 3.13,337 4.041,338 2.892,339 5.805,340 3.628,341 2.665,342 3.637,343 0.657,344 7.886,345 2.563,346 3.9,347 2.749,348 5.476,349 3.484,350 2.528,351 3.407,353 7.308,354 2.418,355 3.49,356 2.471,357 5.119,358 3.119,359 2.187,360 2.861,362 6.271,363 2.031,364 3.45,365 2.181,366 5.085,367 2.97,368 2.036,369 2.781,371 5.894,372 1.897,373 3.367,374 2.046,375 5.003,376 2.895,377 1.969,378 2.682,380 5.785,381 1.817,382 2.707,383 1.641,384 4.244,385 2.315,386 1.363,387 1.778,389 3.547,390 1.295,391 2.5,392 1.213,393 3.414,394 2,395 1,396 1.5,398 2.275,399 1,400 2.073,401 1,402 3.364,403 1.801,404 0.879,405 1.015,407 1.991,408 0.807,409 1.677,410 0.933,411 2.896,412 1.385,413 0.505,414 0.57,415 0.844,416 0.44,417 1.349,418 0.341,419 2.821,420 0.977,421 0.054,422 0.067,423 0.119,424 0.05,425 1.188,426 0.108,427 2.672,428 0.836,429 -0.116,430 -0.142,431 -0.3,432 -0.11,433 0.935,434 -0.181,435 2.517,436 0.505,437 -0.415,438 -0.533,439 -0.962,440 -0.38,441 0.734,442 -0.307,443 2.077,444 0.368,445 -0.557,446 -0.666,448 -1.225,449 -0.513,450 0.5,451 -0.603,452 2,453 0.098,454 -0.823,455 -1.03,457 -2.06,458 -0.754,459 10.733,460 0.467,461 0.592,462 0.026,463 33.5,464 1.457,465 18,466 0.783,467 15.5,468 0.674,469 15.26,470 0.663,471 24.667,472 0.602,473 23.252,474 1.011,475 6.786,476 0.295,477 4.294,478 0.187,479 0.168,481 0.373,485 1.093,486 1.323,487 0.821,488 1.026,489 1.258,490 0.89,491 0.959,492 0.876,493 0.743,494 0.829,495 0.598,496 0.777,497 1.11,498 1.363,499 0.978,500 1.145,501 0.916,502 1.056,503 0.75,504 1.243,505 1.131,506 1.363,507 0.705,508 1.328,509 0.97,510 0.855,511 1.123,512 0.88,513 1.221,514 0.982,515 0.685,516 0.798,517 0.904,518 0.924,519 0.814,520 0.946,521 1.193,522 0.954,523 1.159,524 0.984,525 1.199,526 1.048,527 0.633,528 1.007,529 0.808,530 1.046,531 0.668,532 0.972,533 5,534 0.132,535 2.667,536 1.75,537 1.631,538 0.701,539 0.303,540 0.326,541 0.209,542 0.127,543 5729,544 16183,545 2.041,546 43.9,547 3,548 9,550 1,551 5,555 1.653,556 1.89,557 3.342,558 2.718,559 1,560 1,562 1,564 65.091,565 1.588,566 3.797,567 4.589,568 4.784,569 4.784,570 4.784,571 2.856,572 4.176,573 4.493,574 3.482,575 881.067,576 7.716,577 10031.4,578 1,579 1,581 1,582 219.66,583 1.478,584 4.443,585 0.2,586 0.011,587 0.076,588 0.047,589 0.053,590 0.03,591 0.014,592 0.017,593 0.012,594 0.008,595 0.469,596 0.17,597 1,598 0.832,599 108.264,600 -0.169,601 -0.092,602 0.018,603 0.017,604 -0.284,605 0.052,606 0.113,607 0.229,608 0.173,609 0.193,610 0.24,611 0.183,612 -0.174,613 -0.238,614 -0.09,615 -0.125,616 -0.116,617 -0.099,618 0.1,619 -0.184,620 -0.216,621 -0.365,622 0.159,623 -0.36,624 -0.128,625 0.081,626 -0.117,627 0.043,628 -0.216,629 -0.014,630 0.094,631 0.107,632 0.088,633 0.067,634 0.062,635 0.073,636 -0.244,637 0.032,638 -0.193,639 -0.008,640 -0.281,641 -0.076,642 0.12,643 -0.112,644 0.174,645 -0.028,646 0.178,647 0.066,648 1.536,649 1.961,650 0.696,651 19.093,652 1.006,653 1.139,654 2.421,655 5.863,656 0.66,657 3.258,658 3.584,659 3.85,660 4.094,661 4.304,662 4.344,663 4.331,664 4.419,665 4.511,666 4.5,667 6.006,668 0.634,669 310.4,670 3.258,671 4.796,672 5.645,673 6.524,674 7.388,675 8.272,676 9.143,677 10.03,678 10.906,679 11.795,680 14.6,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,716 1,718 41,719 17,720 1,721 25,723 43,724 16,725 13,726 2,727 4,729 3,730 4,734 1,741 13,742 3,753 1,754 1,757 18,758 7,759 5,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 2,810 23,811 2,816 1,817 1,818 1,829 2.4,834 1,836 12.167,837 7.85,838 5.111,839 2.143,840 3.333,841 1.476,842 1.002,843 4.279,844 10.333,845 3.541,846 4.205,847 4.828,848 5.434,849 6.013,850 6.272,851 6.552,852 6.915,853 7.296,854 7.384,855 1,856 37,857 8.403,859 3.475,860 7.754,861 15.862,863 12.536,865 2.254,866 51.833,870 153.024,871 91.653,872 134.162,874 11,877 91.653,878 164.024,879 134.162,880 19.708,881 2.106,882 103.699,883 80.138,884 38.707,885 4.227,886 141.253,888 153.024,889 225.815,890 11,893 154.74,894 11,897 21.877,898 133.855,899 68.367,901 153.024,902 145.162,903 91.653,906 153.024,907 24.992,908 66.661,909 18.011,910 127.151,911 153.024,912 145.162,913 91.653,915 0.583,916 0.347,917 0.185,918 0.098,919 17,920 8,921 0.093,922 4,923 1,924 1.125,925 3.514,926 180.404,927 0.125,928 16,929 100.042,933 15.466,934 6.363,935 3.183,936 1.258,937 145.162,938 9.507,939 12.461,943 4.31,945 83.805,946 389.839,947 33.5,956 41.24,957 46.69,958 0.296,959 0.709,960 0.857,961 0.893,962 0.893,963 0.893,964 4.764,965 1,966 5.638,967 3.547,968 4.263,969 4.89,970 1.207,971 6.45,972 4.166,973 5.997,974 0.879,975 7.203,976 2.275,977 3.892,978 4.808,980 7.368,981 3.768,982 7.322,983 0.505,984 8.865,985 1.991,986 5.861,987 7.189,988 0.903,989 10.464,990 5.691,991 8.684,992 0.054,993 10.584,994 0.844,995 6.275,996 7.908,998 12.219,999 6.09,1000 10.075,1001 -0.116,1002 12.341,1003 0.119,1004 7.734,1005 9.786,1006 0.678,1007 14.87,1008 7.513,1009 11.488,1010 -0.415,1011 14.127,1012 -0.3,1013 8.525,1014 10.903,1016 17.003,1017 8.293,1018 12.92,1019 -0.557,1020 15.935,1021 -0.962,1022 9.785,1023 12.573,1024 0.512,1025 19.505,1026 9.524,1027 3.212,1028 -0.823,1029 17.761,1030 -1.225,1031 10.765,1032 13.9,1034 21.806,1035 10.489,1036 2.665,1037 11.231,1038 19.603,1039 -2.06,1040 11.949,1041 15.481,1042 0.387,1043 24.254,1044 11.648,1045 2.528,1046 7.886,1047 21.458,1048 4.616,1049 13.02,1050 16.912,1052 26.624,1053 12.702,1054 2.187,1055 7.308,1056 23.325,1057 3.637,1058 14.18,1059 18.457,1060 0.293,1061 29.053,1062 13.838,1063 2.036,1064 6.271,1065 25.201,1066 3.407,1067 15.296,1068 19.939,1070 31.452,1071 14.934,1072 1.969,1073 5.894,1074 27.085,1075 2.861,1076 16.45,1077 21.472,1078 0.221,1079 33.874,1080 16.065,1081 1.363,1082 5.785,1083 28.976,1084 2.781,1085 17.589,1086 22.977,1088 36.284,1089 17.181,1090 5608,1091 9540,1092 16.414,1093 27.057,1094 36.936,1095 37.444,1096 38.524,1097 36.752,1098 36.795,1099 49.827,1100 3.035,1101 106.302,1102 34.894,1103 5.483,1104 5.314,1105 6.389,1106 5.26,1107 5.212,1108 7.616,1109 1.72,1110 18.466,1111 5.13,1112 12.074,1113 1.477,1114 1.498,1115 1.541,1116 1.47,1117 1.472,1118 1.993,1119 0.121,1120 4.252,1121 1.396,1122 4.072,1123 4.112,1124 4.048,1125 3.959,1126 5.321,1127 3.975,1128 3.902,1129 3.932,1130 3.846,1131 3.815,1132 4.982,1133 3.818,1134 3.55,1135 3.616,1136 3.481,1137 3.361,1138 4.883,1139 3.384,1140 3.293,1141 3.363,1142 3.157,1143 3.03,1144 4.801,1145 3.046,1146 3.176,1147 3.271,1148 3.05,1149 2.942,1150 4.434,1151 2.949,1152 3.09,1153 3.193,1154 2.914,1155 2.814,1156 4.191,1157 2.828,1158 3.023,1159 3.152,1160 2.802,1161 2.735,1162 4.029,1163 2.72,1164 2.854,1165 2.925,1166 2.687,1167 2.703,1168 3.871,1169 2.715,1170 0.186,1171 0.133,1172 0.273,1173 0.167,1174 0.128,1175 4.654,1176 0.185,1177 3.314,1178 0.034,1179 6.835,1180 0.449,1181 4.185,1182 0.125,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.13,1188 1.998,1189 1.967,1190 2.064,1191 2.133,1192 1.228,1193 2.112,1194 1.875,1195 1.85,1196 1.979,1197 1.99,1198 1.061,1199 1.988,1200 1.48,1201 1.42,1202 1.635,1203 1.711,1204 0.736,1205 1.697,1206 1.229,1207 1.154,1208 1.572,1209 1.535,1210 0.571,1211 1.546,1212 1.157,1213 1.067,1214 1.52,1215 1.43,1216 0.558,1217 1.462,1218 1.017,1219 0.921,1220 1.274,1221 1.352,1222 0.218,1223 1.343,1224 0.946,1225 0.826,1226 1.254,1227 1.321,1228 0.197,1229 1.32,1230 0.886,1231 0.821,1232 1.181,1233 1.062,1234 0.04,1235 1.107,1236 3.932,1238 5.252,1240 6.779,1242 8.404,1244 10.081,1246 3.622,1250 11.567,1252 0.616,1253 3.347,1254 5.146,1262 26.004,1263 65.091,1264 155.685,1265 188.15,1266 196.15,1267 196.15,1268 196.15,1269 30.096,1270 7,1271 111.97,1272 111.97,1273 18,1274 12.327,1275 4.17,1276 3.248,1277 37.057,1278 82,1279 94,1280 0.222,1281 163.411,1282 269.25,1283 390.482,1284 9747,1286 16.397,1287 0.713,1288 0.565,1289 16.397,1290 12.998,1291 11.08,1292 0.443,1293 0.285,1294 7.006,1295 10.589,1296 6.776,1297 5.682,1298 11.08,1299 7.133,1300 9.96,1301 0.285,1302 0.147,1303 9.96,1304 5.156,1305 8.429,1306 0.183,1307 0.081,1308 8.429,1309 3.708,1310 7.075,1311 0.12,1312 0.041,1313 7.075,1314 2.417,1315 5.331,1316 0.073,1317 0.021,1318 5.331,1319 1.509,1320 0.35,1321 69.896,1322 0.247,1323 22.698,1324 0.603,1325 120,1326 351.628,1327 132.759,1328 345.537,1329 480.02,1330 324,1331 141,1332 363.024,1333 153.15,1334 371.41,1335 538.91,1336 347,1337 7.255}
{0 CHEMBL312407,1 1.423,2 9.273,3 1.67,4 2.788,5 91.921,6 6.783,7 0.5,8 3.876,9 4.035,10 3.359,11 3.351,12 4.93,13 3.326,14 4.406,15 4.621,16 3.699,17 3.743,18 5.403,19 3.684,20 4.653,21 4.904,22 3.758,23 3.909,24 5.547,25 3.825,26 4.659,27 4.887,28 3.734,29 3.95,30 5.627,31 3.837,32 4.758,33 5.019,34 3.6,35 3.923,36 5.717,37 3.782,38 4.722,39 5.035,40 3.263,41 3.729,42 5.537,43 3.535,44 4.386,45 4.716,46 3.033,47 3.384,48 5.11,49 3.196,50 4.001,51 4.261,52 3.045,53 3.179,54 4.839,55 3.086,56 0.063,57 0.704,58 10.346,59 3.353,60 10.051,61 5.351,62 0.23,63 1.073,64 18.358,65 5.928,66 23.498,67 9.254,68 0.26,69 1.266,70 23.985,71 7.219,72 22.876,73 11.717,74 0.179,75 1.29,76 23.524,77 8.436,78 28.33,79 12.904,80 0.237,81 1.304,82 26.719,83 8.195,84 42.124,85 13.337,86 0.266,87 1.089,88 26.501,89 7.79,90 40.543,91 12.901,92 0.227,93 0.758,94 18.981,95 6.095,96 23.736,97 9.649,98 0.102,99 0.625,100 12.447,101 3.522,102 10.478,103 5.966,104 11,105 33,106 0.25,107 0.6,108 0.739,109 0.803,110 0.803,111 0.803,112 3.147,113 0.958,114 -3.49,115 -3.46,116 -3.31,119 36.4,120 1,121 1,125 4,139 4,140 2,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 5,172 3,173 3,175 1,178 7,180 1,182 5,185 1,187 1,189 6,191 1,193 6,195 1,196 1,197 1,198 5,200 2,201 3,204 5,205 1,207 6,212 7,215 4,218 5,226 4,229 2,231 2,233 2,234 1,236 1,237 1,239 3,243 2,246 1,251 1,262 1,263 1,273 604,274 15.008,275 15.008,276 15.008,277 15.008,278 15.008,279 13.542,280 21.877,281 8.885,282 15.373,283 11.787,284 11.787,285 11.787,286 11.787,287 11.787,288 9.537,289 31.126,290 4.117,291 12.381,292 4.037,293 2.039,294 1.244,295 0.881,296 0.881,297 0.881,298 3.828,300 1,301 1,302 1,303 436,304 2.121,307 215.308,314 1.521,315 15.757,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 47,327 204,328 4.518,329 3.242,330 6.762,331 4.134,332 3.158,333 4.231,334 0.8,335 11.039,336 3.085,337 4.085,338 3.09,339 6.138,340 3.779,341 2.837,342 3.604,343 0.4,344 9.035,345 2.675,346 3.681,347 2.439,348 5.351,349 3.293,350 2.35,351 3.025,353 6.796,354 2.214,355 3.307,356 2.231,357 5.038,358 2.948,359 2,360 2.553,362 5.707,363 1.888,364 3.241,365 2.1,366 4.811,367 2.884,368 1.94,369 2.456,371 5.216,372 1.827,373 2.903,374 1.869,375 4.428,376 2.635,377 1.684,378 1.965,380 4.346,381 1.597,382 2.5,383 1.402,384 3.521,385 2.076,386 1.146,387 1.5,389 2.693,390 1.063,391 2.252,392 1.146,393 3.414,394 2,395 1,396 1.237,398 2.275,399 1,400 2,401 1,402 3.271,403 1.967,404 1,405 1,407 2.136,408 0.965,409 1.711,410 0.659,411 3.247,412 1.524,413 0.543,414 0.613,415 1.02,416 0.532,417 1.312,418 0.155,419 2.738,420 1.003,421 0.056,422 0.067,423 0.119,424 0.053,425 0.853,426 -0.305,427 2.456,428 0.497,429 -0.457,430 -0.544,431 -1.107,432 -0.428,433 0.809,434 -0.329,435 2.27,436 0.434,437 -0.487,438 -0.59,439 -1.167,440 -0.453,441 0.5,442 -0.6,443 2.052,444 0.108,445 -0.849,446 -0.947,448 -1.88,449 -0.81,450 0.263,451 -0.681,452 2,454 -1,455 -1,457 -2.245,458 -0.9,459 10.4,460 0.473,461 0.486,462 0.022,463 28.25,464 1.284,465 13.5,466 0.614,467 14.75,468 0.67,469 16.955,470 0.771,471 24.4,472 0.555,473 19.171,474 0.871,475 5.422,476 0.246,477 5.264,478 0.239,479 0.125,481 0.327,485 1.195,486 1.442,487 0.928,488 1.1,489 1.288,490 0.996,491 0.875,492 1.051,493 0.888,494 0.983,495 0.475,496 0.944,497 1.162,498 0.93,499 0.953,500 0.852,501 0.813,502 0.871,503 0.694,504 1.232,505 1.022,506 1.277,507 0.648,508 1.206,509 1.117,510 1.186,511 1.192,512 1.221,513 1.359,514 1.217,515 0.984,516 0.943,517 1.037,518 1.008,519 1.175,520 1.026,521 0.445,522 0.741,523 0.712,524 0.841,525 0.599,526 0.817,527 1.075,528 1.266,529 0.932,530 1.057,531 0.968,532 0.988,533 4,534 0.082,535 2.444,536 1.938,537 1.138,538 0.618,539 0.502,540 0.262,541 0.144,542 0.1,543 4866,544 11052,545 2.07,546 50,547 3,548 12,551 5,552 2,555 1.644,556 1.941,557 3.16,558 2.734,559 1,560 1,562 1,564 62.598,565 1.423,566 3.42,567 4.215,568 4.579,569 4.579,570 4.579,571 2.686,572 3.88,573 4.43,574 3.313,575 765.393,576 7.606,577 8321.17,579 1,581 1,582 240.215,583 1.395,584 4.392,585 0.167,586 0.008,587 0.074,588 0.055,589 0.034,590 0.023,591 0.028,592 0.017,593 0.009,594 0.007,595 0.423,596 0.5,597 1,598 0.797,599 100.745,600 -0.147,601 -0.129,602 0.032,603 0.018,604 -0.209,605 0.045,606 0.176,607 0.116,608 0.085,609 0.064,610 0.277,611 0.063,612 -0.13,613 0.145,614 0.025,615 0.156,616 -0.024,617 0.118,618 0.068,619 -0.145,620 -0.086,621 -0.184,622 0.187,623 -0.16,624 -0.183,625 -0.164,626 -0.23,627 -0.213,628 -0.174,629 -0.225,630 -0.095,631 -0.07,632 -0.065,633 -0.055,634 -0.153,635 -0.056,636 0.324,637 0.071,638 0.255,639 0.124,640 0.156,641 0.172,642 -0.054,643 -0.246,644 0.048,645 -0.071,646 -0.064,647 -0.009,648 1.435,649 2.061,650 0.818,651 17.273,652 0.993,653 1.143,654 2.258,655 5.098,656 0.639,657 3.219,658 3.526,659 3.807,660 4.078,661 4.263,662 4.248,663 4.344,664 4.407,665 4.443,666 4.466,667 5.475,668 0.599,669 298.44,670 3.219,671 4.745,672 5.595,673 6.472,674 7.338,675 8.221,676 9.091,677 9.977,678 10.85,679 11.736,680 13.6,682 1,684 2,686 1,690 2,695 4,696 2,700 6,702 12,711 2,714 1,718 44,719 12,720 1,721 24,723 46,724 16,725 10,726 2,727 4,729 3,730 3,734 1,739 1,741 10,742 6,753 1,754 1,757 22,758 6,759 5,760 6,764 6,769 1,776 1,781 3,798 1,802 3,806 1,810 22,811 2,816 5,817 1,821 1,836 11.333,837 7.85,838 4.944,839 2.735,840 2.339,841 1.343,842 1.002,843 4.455,844 9.159,845 3.434,846 4.007,847 4.58,848 5.159,849 5.68,850 5.915,851 6.261,852 6.576,853 6.841,854 7.086,855 1,856 35,857 8.102,859 3.36,860 7.591,861 15.76,863 12.833,865 2.091,866 46,867 0.001,870 200.109,871 73.799,872 120.5,877 73.799,878 200.109,879 120.5,880 8.825,881 10.957,882 121.71,883 33.571,884 15.009,885 4.227,886 200.109,888 200.109,889 194.3,893 200.109,897 42.449,898 118.279,899 33.571,901 200.109,902 120.5,903 73.799,906 200.109,907 27.069,908 49.855,909 18.011,910 99.365,911 200.109,912 120.5,913 73.799,915 0.574,916 0.346,917 0.198,918 0.105,919 16,920 7,921 0.065,922 3,924 1,925 3.405,926 171.8,928 18,929 90.107,933 15.067,934 6.505,935 3.182,937 120.5,938 8.44,939 8.406,943 4.727,945 83.805,946 394.408,947 30,956 43.68,957 50.311,958 0.261,959 0.627,960 0.772,961 0.839,962 0.839,963 0.839,964 4.663,965 1,966 5.572,967 2.693,968 4.205,969 4.691,970 0.824,971 6.385,972 4.114,973 5.851,974 1,975 7.13,976 2.275,977 3.761,978 4.477,979 0.325,980 7.314,981 3.622,982 7.151,983 0.543,984 8.792,985 2.136,986 5.79,987 6.856,988 0.413,989 10.428,990 5.62,991 8.489,992 0.056,993 10.516,994 1.02,995 6.176,996 7.459,997 0.268,998 12.218,999 5.973,1000 9.861,1001 -0.457,1002 12.282,1003 0.119,1004 7.67,1005 9.326,1006 0.246,1007 14.85,1008 7.438,1009 11.257,1010 -0.487,1011 14.076,1012 -1.107,1013 8.45,1014 10.321,1015 0.188,1016 16.994,1017 8.195,1018 12.672,1019 -0.849,1020 15.893,1021 -1.167,1022 9.724,1023 11.964,1024 0.157,1025 19.463,1026 9.442,1027 3.158,1028 -1,1029 17.726,1030 -1.88,1031 10.694,1032 13.164,1033 0.125,1034 21.752,1035 10.392,1036 2.837,1037 11.039,1038 19.571,1039 -2.245,1040 11.877,1041 14.7,1042 0.102,1043 24.167,1044 11.551,1045 2.35,1046 9.035,1047 21.427,1048 4.231,1049 12.935,1050 16.009,1051 0.082,1052 26.516,1053 12.591,1054 2,1055 6.796,1056 23.291,1057 3.604,1058 14.084,1059 17.492,1060 0.067,1061 28.914,1062 13.718,1063 1.94,1064 5.707,1065 25.163,1066 3.025,1067 15.183,1068 18.86,1069 0.054,1070 31.289,1071 14.798,1072 1.684,1073 5.216,1074 27.039,1075 2.553,1076 16.32,1077 20.318,1078 0.043,1079 33.683,1080 15.915,1081 1.146,1082 4.346,1083 28.92,1084 2.456,1085 17.439,1086 21.717,1087 0.035,1088 36.07,1089 17.015,1090 4756,1091 7274,1092 16.008,1093 28.125,1094 35.522,1095 35.476,1096 36.959,1097 35.495,1098 35.43,1099 44.499,1100 2.4,1101 100.764,1102 33.8,1103 5.518,1104 5.242,1105 6.564,1106 5.204,1107 5.158,1108 7.231,1109 1.2,1110 17.923,1111 5.085,1112 9.987,1113 1.48,1114 1.478,1115 1.54,1116 1.479,1117 1.476,1118 1.854,1119 0.1,1120 4.199,1121 1.408,1122 4.024,1123 4.063,1124 3.981,1125 3.937,1126 5.285,1127 3.942,1128 3.828,1129 3.895,1130 3.759,1131 3.656,1132 4.981,1133 3.674,1134 3.658,1135 3.72,1136 3.544,1137 3.493,1138 4.736,1139 3.496,1140 3.392,1141 3.485,1142 3.204,1143 3.19,1144 4.43,1145 3.183,1146 3.111,1147 3.219,1148 3.001,1149 2.941,1150 4.339,1151 2.91,1152 3.11,1153 3.206,1154 2.866,1155 2.863,1156 3.966,1157 2.888,1158 2.952,1159 3.065,1160 2.803,1161 2.735,1162 3.737,1163 2.715,1164 2.854,1165 2.925,1166 2.687,1167 2.634,1168 3.674,1169 2.664,1170 0.188,1171 0.135,1172 0.282,1173 0.172,1174 0.132,1175 4.518,1176 0.176,1177 3.242,1178 0.033,1179 6.762,1180 0.46,1181 4.134,1182 0.129,1183 3.158,1184 4.231,1185 0.8,1186 11.039,1187 3.085,1188 1.973,1189 1.944,1190 2.069,1191 2.087,1192 1.283,1193 2.083,1194 1.772,1195 1.713,1196 1.947,1197 1.982,1198 1.166,1199 1.973,1200 1.629,1201 1.565,1202 1.84,1203 1.808,1204 0.995,1205 1.818,1206 1.38,1207 1.294,1208 1.619,1209 1.632,1210 0.825,1211 1.652,1212 1.153,1213 1.064,1214 1.513,1215 1.376,1216 0.612,1217 1.429,1218 1.018,1219 0.935,1220 1.274,1221 1.375,1222 0.339,1223 1.358,1224 0.886,1225 0.821,1226 1.186,1227 1.215,1228 0.218,1229 1.214,1230 0.867,1231 0.752,1232 1.181,1233 1.066,1234 0.128,1235 1.107,1236 3.892,1238 5.198,1240 6.72,1242 8.338,1244 10.005,1246 2.041,1250 11.75,1252 4.895,1253 3.363,1257 2.379,1262 26.343,1263 62.598,1264 150.5,1265 185.46,1266 201.46,1267 201.46,1268 201.46,1269 28.462,1270 6.82,1271 93.09,1272 93.09,1273 18,1274 12.27,1275 3.7,1276 2.807,1277 34.517,1278 72,1279 70,1280 0.24,1281 165.269,1282 276.64,1283 395.017,1284 7402,1286 15.527,1287 0.706,1288 0.584,1289 15.527,1290 12.841,1291 10.686,1292 0.445,1293 0.319,1294 7.565,1295 10.306,1296 7.392,1297 6.141,1298 10.686,1299 7.667,1300 9.372,1301 0.284,1302 0.164,1303 9.372,1304 5.426,1305 7.882,1306 0.179,1307 0.091,1308 7.882,1309 4.002,1310 6.922,1311 0.119,1312 0.05,1313 6.922,1314 2.879,1315 5.413,1316 0.077,1317 0.028,1318 5.413,1319 1.929,1320 0.371,1321 66.584,1322 0.25,1323 21.611,1324 0.673,1325 114,1326 277.893,1327 124.186,1328 278.443,1329 393.14,1330 262,1331 134,1332 303.268,1333 143.881,1334 308.313,1335 452.17,1336 292,1337 4.602}
{0 CHEMBL312556,1 1.825,2 11.517,3 4.702,4 22.104,5 118.478,6 9.22,7 0.581,8 3.966,9 4.087,10 3.691,11 3.521,12 5.228,13 3.512,14 4.432,15 4.582,16 4.089,17 3.913,18 5.78,19 3.88,20 4.675,21 4.85,22 4.292,23 4.072,24 5.892,25 4.022,26 4.754,27 4.933,28 4.148,29 4.053,30 6.021,31 4,32 4.838,33 5.048,34 4.039,35 4.034,36 6.048,37 3.972,38 4.832,39 5.068,40 3.972,41 3.962,42 6.006,43 3.884,44 4.687,45 4.91,46 4.031,47 3.823,48 6.102,49 3.78,50 4.568,51 4.762,52 3.913,53 3.67,54 5.945,55 3.64,56 0.213,57 0.722,58 6.698,59 3.532,60 15.798,61 4.257,62 0.366,63 1.078,64 13.48,65 6.568,66 54.743,67 8.162,68 0.47,69 1.295,70 25.62,71 8.238,72 43.769,73 10.097,74 0.566,75 1.376,76 23.232,77 8.625,78 58.609,79 10.645,80 0.687,81 1.436,82 27.677,83 8.834,84 86.375,85 10.865,86 0.758,87 1.337,88 32.215,89 9.82,90 96.818,91 12.541,92 0.724,93 1.146,94 25.458,95 8.28,96 85.019,97 10.867,98 0.729,99 0.918,100 23.581,101 6.908,102 95.379,103 7.387,104 54,105 44,106 0.309,107 0.666,108 0.803,109 0.88,110 0.887,111 0.887,112 3.408,113 0.913,114 -5.28,115 -5.16,116 -4.83,119 40.4,120 1,121 1,125 1,139 6,140 3,141 4,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 8,169 2,170 4,172 3,173 3,175 3,178 9,180 1,182 7,185 1,187 5,189 10,191 1,193 11,195 1,196 3,197 1,198 7,200 2,201 6,204 5,205 1,207 8,212 6,215 7,218 4,220 2,221 5,223 1,224 1,226 3,229 7,231 2,233 4,234 8,236 2,237 4,238 1,239 2,240 1,241 6,243 1,246 5,248 1,249 1,251 1,254 6,260 5,262 2,263 2,264 1,265 1,267 1,268 5,270 1,273 1363,274 19.024,275 19.024,276 19.024,277 19.024,278 19.024,279 16.401,280 24.751,281 10.923,282 19.544,283 15.178,284 15.178,285 15.178,286 15.178,287 15.178,288 11.22,289 33.246,290 5.052,291 16.161,292 3.729,293 1.623,294 0.814,295 0.356,296 0.314,297 0.314,298 4.084,299 2,301 1,302 1,303 699,304 3.317,307 311.194,314 1.912,315 38.876,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 63.667,327 334,328 4.557,329 3.806,330 6.777,331 4.163,332 3.186,333 4.297,334 2.612,335 11.103,336 3.116,337 4.341,338 3.321,339 6.403,340 3.894,341 2.932,342 4.023,343 0.657,344 9.757,345 2.821,346 4.213,347 3.232,348 5.95,349 3.734,350 2.822,351 3.868,353 8.321,354 2.575,355 3.707,356 2.795,357 5.327,358 3.233,359 2.296,360 3.174,362 6.71,363 2.153,364 3.56,365 2.551,366 5.22,367 3.151,368 2.226,369 2.88,371 6.432,372 1.964,373 3.443,374 2.331,375 5.038,376 2.938,377 1.988,378 2.773,380 5.704,381 1.88,382 3.299,383 2.222,384 4.89,385 2.897,386 1.936,387 2.548,389 5.267,390 1.828,391 3.11,392 2.135,393 4.77,394 2.696,395 1.745,396 2.325,398 4.998,399 1.651,400 2.82,401 1.874,402 4.043,403 2.306,404 1.414,405 1.949,407 3.525,408 1.199,409 2.61,410 1.399,411 3.629,412 2,413 1,414 1.597,415 2.425,416 1,417 2.007,418 1.066,419 3.389,420 1.752,421 0.812,422 0.935,423 1.892,424 0.751,425 1.705,426 1,427 3.222,428 1.504,429 0.531,430 0.602,431 1.019,432 0.512,433 1.42,434 0.743,435 2.754,436 1.061,437 0.175,438 0.208,439 0.361,440 0.131,441 1.258,442 0.599,443 2.601,444 0.849,450 1,451 0.206,452 2.41,453 0.525,454 -0.377,455 -0.469,457 -0.987,458 -0.318,459 13.995,460 0.483,461 0.877,462 0.03,463 41.25,464 1.422,465 22.5,466 0.776,467 18.75,468 0.647,469 22.931,470 0.791,471 31.005,472 0.66,473 32.879,474 1.134,475 8.022,476 0.277,477 5.773,478 0.199,479 0.243,481 0.386,485 0.612,486 1.111,487 0.563,488 0.737,489 0.694,490 0.761,491 0.483,492 1.018,493 0.569,494 0.844,495 0.371,496 0.837,497 0.793,498 1.159,499 0.78,500 0.949,501 0.605,502 0.93,503 0.882,504 1.251,505 0.891,506 1.138,507 0.829,508 1.145,509 1.128,510 1.123,511 0.924,512 1.057,513 1.152,514 1.126,515 1.008,516 0.916,517 0.812,518 0.94,519 1.2,520 0.978,521 0.737,522 0.897,523 0.618,524 0.866,525 0.833,526 0.859,527 1.854,528 0.894,529 0.992,530 0.827,531 2.217,532 0.896,533 7,534 0.103,535 3.778,536 2.625,537 2.031,538 1.174,539 0.932,540 0.557,541 0.431,542 0.252,543 10073,544 37708,545 1.973,546 38.3,547 3,548 8,551 5,552 2,555 1.721,556 1.794,557 3.451,558 2.528,564 85.787,565 1.825,566 3.932,567 4.74,568 5.198,569 5.241,570 5.241,571 2.918,572 4.444,573 4.828,574 3.646,575 1480.11,576 8.416,577 20014.1,579 1,582 261.066,583 1.556,584 4.756,585 0.226,586 0.005,587 0.086,588 0.055,589 0.045,590 0.029,591 0.025,592 0.015,593 0.014,594 0.011,595 0.511,597 1,598 0.929,599 147.295,600 0.039,601 0.12,602 -0.007,603 0.141,604 -0.109,605 0.081,606 0.205,607 0.098,608 0.109,609 0.095,610 0.26,611 0.089,612 -0.031,613 -0.09,614 0.09,615 0.01,616 0.009,617 0.018,618 -0.035,619 -0.193,620 -0.128,621 -0.216,622 -0.003,623 -0.218,624 -0.225,625 -0.091,626 -0.179,627 -0.156,628 -0.195,629 -0.192,630 -0.061,631 0.02,633 0.008,634 -0.155,635 0.029,636 0.287,637 0.058,638 0.176,639 0.064,640 0.296,641 0.122,642 -0.369,643 0.019,644 -0.049,645 0.12,646 -0.367,647 0.028,648 2.458,649 4.653,650 0.621,651 28.207,652 1.023,653 1.132,654 4.047,655 16.379,656 0.702,657 3.466,658 3.807,659 4.06,660 4.304,661 4.511,662 4.554,663 4.635,664 4.691,665 4.796,666 4.804,667 6.768,668 0.679,669 433.33,670 3.466,671 5.017,672 5.866,673 6.751,674 7.618,675 8.505,676 9.379,677 10.267,678 11.145,679 12.034,680 12.8,684 2,685 1,690 2,691 1,695 6,696 2,700 10,702 18,711 2,712 1,713 1,717 2,718 47,719 20,720 2,721 31,723 49,724 19,725 16,726 6,727 6,729 3,730 3,731 2,734 1,739 1,741 16,742 3,744 2,746 1,748 2,757 18,758 7,759 5,760 10,761 2,764 6,769 1,770 2,776 1,781 3,802 3,806 1,807 2,810 29,811 2,816 2,817 1,828 2,829 4.3,835 2,836 16.167,837 8.636,838 6.417,839 2.694,840 3.271,841 1.446,842 0.985,843 6.547,844 10.6,845 3.761,846 4.413,847 4.968,848 5.535,849 6.071,850 6.308,851 6.646,852 6.964,853 7.37,854 7.648,855 0.875,856 48,857 10.653,859 4.549,860 8.065,861 19.565,863 15.64,865 2.565,866 74.389,869 1,870 153.024,871 99.378,872 123.046,873 78.297,874 50.747,877 99.378,878 282.069,879 123.046,880 14.495,881 4.64,882 122.652,883 51.582,884 24.828,885 4.227,886 153.024,887 129.044,888 153.024,889 222.424,890 50.747,891 78.297,893 153.024,895 50.747,897 18.121,898 147.051,899 135.549,901 153.024,902 173.793,903 177.675,906 153.024,907 33.695,908 71.353,909 18.011,910 228.41,911 153.024,912 173.793,913 177.675,915 0.589,916 0.348,917 0.185,918 0.101,919 20,920 11,921 0.122,922 6,924 1,925 3.884,926 251.081,928 18,929 138.881,933 21.272,934 8.925,935 4.765,937 168.123,938 9.976,939 8.178,943 3.925,945 83.805,946 504.493,947 42,949 -0.458,951 23.307,956 48.098,957 53.203,958 0.329,959 0.708,960 0.853,961 0.936,962 0.943,963 0.943,964 5.001,965 1.745,966 5.878,967 5.267,968 4.489,969 5.1,970 2.57,971 6.706,972 4.374,973 6.244,974 1.414,975 7.458,976 4.998,977 4.205,978 5.075,979 2.361,980 7.659,981 4.001,982 7.575,983 1,984 9.134,985 3.525,986 6.107,987 7.354,988 4.16,989 10.743,990 5.909,991 8.94,992 0.812,993 10.865,994 2.425,995 6.581,996 8.07,997 4.506,998 12.503,999 6.312,1000 10.331,1001 0.531,1002 12.631,1003 1.892,1004 8.002,1005 9.873,1006 5.948,1007 15.129,1008 7.736,1009 11.74,1010 0.175,1011 14.422,1012 1.019,1013 8.823,1014 10.936,1015 6.556,1016 17.243,1017 8.508,1018 13.165,1020 16.231,1021 0.361,1022 10.06,1023 12.542,1024 7.794,1025 19.708,1026 9.739,1027 3.186,1028 -0.377,1029 18.056,1031 11.045,1032 13.78,1033 8.548,1034 21.977,1035 10.69,1036 2.932,1037 11.103,1038 19.893,1039 -0.987,1040 12.21,1041 15.295,1042 9.67,1043 24.386,1044 11.843,1045 2.822,1046 9.757,1047 21.74,1048 4.297,1049 13.272,1050 16.623,1051 10.509,1052 26.723,1053 12.88,1054 2.296,1055 8.321,1056 23.595,1057 4.023,1058 14.411,1059 18.095,1060 11.563,1061 29.115,1062 14.005,1063 2.226,1064 6.71,1065 25.457,1066 3.868,1067 15.509,1068 19.472,1069 12.452,1070 31.482,1071 15.083,1072 1.988,1073 6.432,1074 27.325,1075 3.174,1076 16.641,1077 20.923,1078 13.468,1079 33.872,1080 16.199,1081 1.936,1082 5.704,1083 29.199,1084 2.88,1085 17.758,1086 22.326,1087 14.386,1088 36.253,1089 17.298,1090 9979,1091 19488,1092 19.709,1093 32.989,1094 46.362,1095 48.678,1096 49.187,1097 46.42,1098 46.125,1099 62.357,1100 6.539,1101 135.028,1102 43.163,1103 5.393,1104 5.806,1105 6.299,1106 5.233,1107 5.186,1108 7.297,1109 4.612,1110 17.995,1111 5.116,1112 18.725,1113 1.496,1114 1.57,1115 1.587,1116 1.497,1117 1.488,1118 2.012,1119 0.211,1120 4.356,1121 1.392,1122 4.061,1123 4.092,1124 4.121,1125 3.958,1126 7.815,1127 3.967,1128 3.911,1129 3.934,1130 4.015,1131 3.864,1132 6.999,1133 3.855,1134 3.824,1135 3.867,1136 3.803,1137 3.639,1138 5.285,1139 3.664,1140 3.469,1141 3.501,1142 3.463,1143 3.2,1144 5.041,1145 3.192,1146 3.392,1147 3.481,1148 3.404,1149 3.125,1150 4.98,1151 3.128,1152 3.287,1153 3.356,1154 3.368,1155 3.03,1156 4.696,1157 3.12,1158 3.073,1159 3.19,1160 3.204,1161 2.829,1162 4.491,1163 2.844,1164 2.879,1165 2.941,1166 3.018,1167 2.789,1168 4.421,1169 2.764,1170 0.147,1171 0.123,1172 0.219,1173 0.134,1174 0.103,1175 4.557,1176 0.139,1177 3.806,1178 0.084,1179 6.777,1180 0.358,1181 4.163,1182 0.101,1183 3.186,1184 4.297,1185 2.612,1186 11.103,1187 3.116,1188 1.984,1189 1.959,1190 2.056,1191 2.123,1192 1.215,1193 2.095,1194 1.891,1195 1.873,1196 1.967,1197 1.979,1198 1.144,1199 1.981,1200 1.729,1201 1.685,1202 1.868,1203 1.935,1204 1.019,1205 1.903,1206 1.387,1207 1.304,1208 1.63,1209 1.651,1210 0.677,1211 1.659,1212 1.239,1213 1.177,1214 1.449,1215 1.625,1216 0.567,1217 1.543,1218 1.185,1219 1.152,1220 1.284,1221 1.459,1222 0.213,1223 1.465,1224 0.98,1225 0.895,1226 1.256,1227 1.353,1228 0.165,1229 1.341,1230 0.868,1231 0.824,1232 1.125,1233 1.09,1234 0.136,1235 1.111,1236 4.143,1238 5.476,1240 7.004,1242 8.625,1244 10.294,1246 1.895,1247 11.937,1250 11.676,1252 0.891,1253 3.063,1262 31.901,1263 85.787,1264 184.785,1265 222.801,1266 244.311,1267 246.311,1268 246.311,1269 68.348,1270 7.329,1271 135.67,1272 135.67,1273 18,1274 12.566,1275 4.392,1276 3.585,1277 52.447,1278 117,1279 122,1280 0.219,1281 206.995,1282 355.08,1283 496.827,1284 14308,1285 4.3,1286 21.129,1287 0.729,1288 0.585,1289 22.129,1290 16.959,1291 13.795,1292 0.445,1293 0.304,1294 8.629,1295 12.712,1296 8.366,1297 6.943,1298 14.372,1299 9.438,1300 12.752,1301 0.29,1302 0.16,1303 13.493,1304 7.048,1305 10.347,1306 0.182,1307 0.089,1308 11.261,1309 5.053,1310 8.513,1311 0.117,1312 0.045,1313 8.914,1314 3.272,1315 6.747,1316 0.075,1317 0.025,1318 7.127,1319 2.219,1320 0.344,1321 92.867,1322 0.225,1323 27.477,1324 0.604,1325 150,1326 497.771,1327 195.319,1328 547.263,1329 715.9,1330 502,1331 176,1332 486.104,1333 216.903,1334 507.995,1335 737.74,1336 476,1337 8.097}
{0 CHEMBL312667,1 1.657,2 12.207,3 3.356,4 11.265,5 115.332,6 7.735,7 0.581,8 4.037,9 4.166,10 3.616,11 3.519,12 5.271,13 3.521,14 4.511,15 4.679,16 3.953,17 3.886,18 5.798,19 3.867,20 4.709,21 4.896,22 4.05,23 4.035,24 5.846,25 4.005,26 4.826,27 5.017,28 4.062,29 4.08,30 6.044,31 4.03,32 4.933,33 5.167,34 3.966,35 4.08,36 6.067,37 4.006,38 4.899,39 5.15,40 3.894,41 3.976,42 6.016,43 3.898,44 4.735,45 4.964,46 3.92,47 3.817,48 6.108,49 3.779,50 4.66,51 4.89,52 3.661,53 3.64,54 5.947,55 3.614,56 0.189,57 0.786,58 10.015,59 4.026,60 15.416,61 5.374,62 0.388,63 1.164,64 18.043,65 7.062,66 57.303,67 9.373,68 0.32,69 1.402,70 22.279,71 7.963,72 33.008,73 11.113,74 0.464,75 1.514,76 25.445,77 8.921,78 53.084,79 12.49,80 0.532,81 1.568,82 30.779,83 9.284,84 77.616,85 13.681,86 0.663,87 1.415,88 31.659,89 9.506,90 84.896,91 13.839,92 0.652,93 1.215,94 25.85,95 7.795,96 86.433,97 11.392,98 0.632,99 1.027,100 25.337,101 6.48,102 89.436,103 8.901,104 46,105 43,106 0.276,107 0.638,108 0.791,109 0.856,110 0.856,111 0.856,112 3.408,113 0.871,114 -4.32,115 -4.25,116 -4.01,119 39.2,120 1,121 1,124 1,125 1,139 7,140 3,141 3,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 9,169 2,170 6,172 3,173 3,175 3,178 9,180 1,182 9,185 1,187 5,189 6,191 1,193 12,195 1,196 3,197 1,198 8,200 2,201 4,204 5,205 1,207 8,212 5,215 7,218 4,220 2,221 5,223 1,224 2,226 2,229 8,231 2,233 4,234 9,236 2,237 4,238 1,239 2,240 1,241 7,243 1,246 7,248 1,249 1,251 1,254 4,259 1,260 4,262 2,263 2,264 1,265 1,267 1,268 3,270 1,273 1397,274 19.394,275 19.394,276 19.394,277 19.394,278 19.394,279 16.876,280 26.897,281 11.255,282 19.859,283 15.138,284 15.138,285 15.138,286 15.138,287 15.138,288 11.256,289 36.02,290 5.138,291 15.795,292 4.016,293 1.846,294 0.925,295 0.539,296 0.539,297 0.539,298 4.087,301 1,302 1,303 741,304 3.391,307 313.376,314 1.938,315 34.932,318 1,319 0.83,320 1,321 0.6,323 0.83,324 0.5,325 0.68,326 64,327 354,328 4.557,329 3.806,330 6.777,331 4.163,332 3.186,333 4.297,334 2.612,335 11.103,336 3.116,337 4.34,338 3.232,339 6.403,340 3.893,341 2.929,342 4.023,343 0.86,344 9.756,345 2.821,346 4.034,347 2.925,348 5.483,349 3.62,350 2.644,351 3.634,352 0.657,353 7.341,354 2.583,355 3.707,356 2.753,357 5.325,358 3.232,359 2.293,360 3.173,362 6.704,363 2.154,364 3.535,365 2.535,366 5.121,367 3.151,368 2.202,369 2.857,371 6.287,372 2.079,373 3.432,374 2.33,375 5.038,376 2.938,377 1.989,378 2.738,380 5.704,381 1.885,382 3.299,383 2.222,384 4.888,385 2.902,386 1.94,387 2.548,389 5.269,390 1.862,391 3.111,392 1.877,393 4.77,394 2.698,395 1.746,396 2.325,398 4.998,399 1.655,400 2.61,401 1.414,402 3.629,403 2,404 1,405 1.597,407 2.425,408 1,409 2.5,410 1.214,411 3.414,412 2,413 1,414 1.5,415 2.275,416 1,417 2.036,418 1,419 3.389,420 1.795,421 0.858,422 0.975,423 1.927,424 0.799,425 1.736,426 1,427 3.222,428 1.531,429 0.572,430 0.642,431 1.064,432 0.544,433 1.597,434 0.919,435 2.774,436 1.336,437 0.436,438 0.491,439 0.699,440 0.391,441 1.308,442 0.639,443 2.711,444 1.002,445 0.058,446 0.069,448 0.121,449 0.055,450 1.013,451 0.231,452 2.45,453 0.655,454 -0.293,455 -0.362,457 -0.668,458 -0.277,459 13.4,460 0.462,461 0.75,462 0.026,463 41.75,464 1.44,465 23,466 0.793,467 18.75,468 0.647,469 21.036,470 0.725,471 31.6,472 0.62,473 33.796,474 1.165,475 8.346,476 0.288,477 5.576,478 0.192,479 0.184,481 0.366,485 0.694,486 1.196,487 0.78,488 0.99,489 0.717,490 0.904,491 0.69,492 0.984,493 0.737,494 0.947,495 0.404,496 0.875,497 0.843,498 1.192,499 0.879,500 1.057,501 0.606,502 0.979,503 0.85,504 1.289,505 1.053,506 1.255,507 0.815,508 1.207,509 1.023,510 1.108,511 1.119,512 1.085,513 1.114,514 1.098,515 0.998,516 0.893,517 0.958,518 0.921,519 1.212,520 0.933,521 0.757,522 0.985,523 0.823,524 1.037,525 0.864,526 0.962,527 1.81,528 0.855,529 1.19,530 0.861,531 2.175,532 0.895,533 6.5,534 0.144,535 3.333,536 2.313,537 1.88,538 1.236,539 0.891,540 0.495,541 0.369,542 0.237,543 10277,544 31360,545 1.993,546 43.1,547 3,548 12,551 5,552 2,555 1.72,556 1.832,557 3.509,558 2.494,559 1,560 1,564 84.483,565 1.657,566 3.827,567 4.748,568 5.133,569 5.133,570 5.133,571 3.069,572 4.349,573 4.825,574 3.698,575 1501.44,576 8.409,577 20383.4,579 1,581 1,582 289.294,583 1.519,584 4.768,585 0.21,586 0.007,587 0.078,588 0.049,589 0.042,590 0.031,591 0.024,592 0.013,593 0.013,594 0.01,595 0.477,597 1,598 0.976,599 147.796,600 0.06,601 0.055,602 0.024,603 0.077,604 -0.099,605 0.051,606 0.158,607 0.129,608 0.141,609 0.115,610 0.257,611 0.116,612 -0.078,613 -0.082,614 0.005,615 -0.026,616 -0.013,617 0.005,618 -0.004,619 -0.205,620 -0.151,621 -0.24,622 0.015,623 -0.234,624 -0.17,625 -0.092,626 -0.16,627 -0.118,628 -0.149,629 -0.125,630 -0.024,631 0.035,632 0.054,633 0.046,634 -0.123,635 0.06,636 0.304,637 -0.015,638 0.182,639 -0.083,640 0.33,641 0.003,642 -0.332,643 0.053,644 -0.117,645 0.048,646 -0.285,647 0.022,648 2.431,649 4.66,650 0.621,651 29.258,652 1.013,653 1.136,654 3.085,655 9.518,656 0.657,657 3.466,658 3.784,659 4.043,660 4.29,661 4.5,662 4.554,663 4.635,664 4.673,665 4.779,666 4.796,667 6.932,668 0.637,669 394.48,670 3.466,671 5.004,672 5.849,673 6.727,674 7.591,675 8.474,676 9.346,677 10.231,678 11.107,679 11.995,680 11.8,684 2,685 1,690 2,691 1,695 7,696 2,700 9,702 18,711 2,712 1,713 1,716 1,718 51,719 20,720 2,721 31,723 53,724 20,725 16,726 5,727 7,729 3,730 3,734 1,739 1,741 16,742 4,744 2,746 1,748 2,754 1,757 22,758 8,759 5,760 9,764 6,769 1,770 3,776 1,781 3,802 3,806 2,810 29,811 2,816 2,817 1,818 1,829 5.9,834 1,835 2,836 15.833,837 9.6,838 6.556,839 2.879,840 3.263,841 1.445,842 0.973,843 6.392,844 10.591,845 3.761,846 4.388,847 4.947,848 5.517,849 6.058,850 6.297,851 6.65,852 6.952,853 7.355,854 7.635,855 1,856 47,857 10.662,859 4.477,860 7.983,861 19.753,863 15.568,865 2.483,866 72,868 1,869 1,870 200.109,871 117.98,872 123.046,874 61.747,877 117.98,878 261.856,879 123.046,880 25.378,881 4.64,882 132.128,883 51.582,884 34.07,885 4.227,886 200.109,887 50.747,888 200.109,889 241.026,890 61.747,893 200.109,894 11,895 50.747,897 18.121,898 165.653,899 57.252,901 200.109,902 184.793,903 117.98,906 200.109,907 31.938,908 91.712,909 18.011,910 161.112,911 200.109,912 184.793,913 117.98,915 0.578,916 0.345,917 0.187,918 0.102,919 19,920 10,921 0.132,922 7,924 1,925 3.937,926 248.585,928 18,929 134.881,933 20.676,934 8.966,935 4.686,937 179.123,938 12.355,939 8.201,943 4.11,945 83.805,946 502.881,947 42,949 -0.431,951 23.32,956 51.662,957 57.94,958 0.292,959 0.675,960 0.837,961 0.905,962 0.905,963 0.905,964 4.987,965 1.746,966 5.844,967 5.269,968 4.466,969 5.075,970 2.677,971 6.658,972 4.39,973 6.214,974 1,975 7.41,976 4.998,977 4.111,978 4.987,979 2.361,980 7.597,981 4.001,982 7.535,983 1,984 9.075,985 2.425,986 6.066,987 7.31,988 4.177,989 10.678,990 5.927,991 8.892,992 0.858,993 10.796,994 2.275,995 6.494,996 7.984,997 4.506,998 12.445,999 6.327,1000 10.276,1001 0.572,1002 12.556,1003 1.927,1004 7.941,1005 9.811,1006 5.95,1007 15.067,1008 7.753,1009 11.679,1010 0.436,1011 14.342,1012 1.064,1013 8.735,1014 10.845,1015 6.556,1016 17.194,1017 8.522,1018 13.099,1019 0.058,1020 16.149,1021 0.699,1022 9.984,1023 12.466,1024 7.795,1025 19.661,1026 9.751,1027 3.186,1028 -0.293,1029 17.972,1030 0.121,1031 10.956,1032 13.687,1033 8.548,1034 21.941,1035 10.7,1036 2.929,1037 11.103,1038 19.81,1039 -0.668,1040 12.127,1041 15.21,1042 9.67,1043 24.354,1044 11.852,1045 2.644,1046 9.756,1047 21.658,1048 4.297,1049 13.185,1050 16.531,1051 10.509,1052 26.698,1053 12.887,1054 2.293,1055 7.341,1056 23.516,1057 4.023,1058 14.328,1059 18.008,1060 11.563,1061 29.095,1062 14.01,1063 2.202,1064 6.704,1065 25.382,1066 3.634,1067 15.427,1068 19.383,1069 12.452,1070 31.466,1071 15.087,1072 1.989,1073 6.287,1074 27.254,1075 3.173,1076 16.563,1077 20.838,1078 13.468,1079 33.859,1080 16.203,1081 1.94,1082 5.704,1083 29.132,1084 2.857,1085 17.683,1086 22.242,1087 14.386,1088 36.244,1089 17.301,1090 10170,1091 17929,1092 19.997,1093 33.489,1094 45.766,1095 47.53,1096 48.336,1097 45.699,1098 45.707,1099 61.74,1100 8.259,1101 131.347,1102 43.885,1103 5.393,1104 5.806,1105 6.332,1106 5.233,1107 5.186,1108 7.297,1109 4.612,1110 17.995,1111 5.116,1112 17.388,1113 1.476,1114 1.533,1115 1.559,1116 1.474,1117 1.474,1118 1.992,1119 0.266,1120 4.237,1121 1.416,1122 4.062,1123 4.093,1124 4.03,1125 3.955,1126 7.815,1127 3.965,1128 3.911,1129 3.939,1130 3.853,1131 3.837,1132 6.999,1133 3.836,1134 3.824,1135 3.868,1136 3.796,1137 3.638,1138 5.285,1139 3.664,1140 3.471,1141 3.503,1142 3.434,1143 3.199,1144 4.98,1145 3.192,1146 3.393,1147 3.483,1148 3.222,1149 3.123,1150 4.871,1151 3.141,1152 3.344,1153 3.403,1154 3.204,1155 3.031,1156 4.691,1157 3.123,1158 3.156,1159 3.247,1160 3.001,1161 2.892,1162 4.428,1163 2.904,1164 3.055,1165 3.176,1166 2.876,1167 2.779,1168 4.368,1169 2.784,1170 0.147,1171 0.123,1172 0.219,1173 0.134,1174 0.103,1175 4.557,1176 0.139,1177 3.806,1178 0.084,1179 6.777,1180 0.358,1181 4.163,1182 0.101,1183 3.186,1184 4.297,1185 2.612,1186 11.103,1187 3.116,1188 1.984,1189 1.959,1190 2.062,1191 2.124,1192 1.215,1193 2.096,1194 1.896,1195 1.873,1196 2.005,1197 2,1198 1.145,1199 2.002,1200 1.729,1201 1.685,1202 1.872,1203 1.949,1204 1.02,1205 1.908,1206 1.388,1207 1.305,1208 1.635,1209 1.657,1210 0.696,1211 1.659,1212 1.289,1213 1.228,1214 1.588,1215 1.631,1216 0.593,1217 1.586,1218 1.186,1219 1.152,1220 1.447,1221 1.555,1222 0.536,1223 1.526,1224 1.117,1225 1.026,1226 1.284,1227 1.41,1228 0.218,1229 1.426,1230 0.972,1231 0.878,1232 1.256,1233 1.346,1234 0.213,1235 1.339,1236 4.143,1238 5.46,1240 6.976,1242 8.587,1244 10.248,1246 3.505,1250 11.694,1252 0.995,1253 3.114,1254 5.136,1262 32.487,1263 84.483,1264 195.162,1265 242.132,1266 261.784,1267 261.784,1268 261.784,1269 62.441,1270 7.328,1271 144.9,1272 144.9,1273 18,1274 12.528,1275 4.392,1276 3.585,1277 52.503,1278 119,1279 145,1280 0.215,1281 203.918,1282 350.75,1283 489.319,1284 14424,1286 20.966,1287 0.723,1288 0.558,1289 20.966,1290 16.177,1291 13.922,1292 0.449,1293 0.29,1294 8.845,1295 13.251,1296 8.607,1297 7.209,1298 13.922,1299 9,1300 12.413,1301 0.289,1302 0.147,1303 12.413,1304 6.333,1305 10.184,1306 0.182,1307 0.08,1308 10.184,1309 4.489,1310 8.52,1311 0.118,1312 0.042,1313 8.52,1314 3.045,1315 6.709,1316 0.075,1317 0.023,1318 6.709,1319 2.027,1320 0.339,1321 88.396,1322 0.224,1323 27.607,1324 0.588,1325 148,1326 485.099,1327 165.159,1328 469.344,1329 632.85,1330 434,1331 173,1332 471.924,1333 189.331,1334 474.246,1335 684.05,1336 443,1337 7.699}
{0 CHEMBL31273,1 1.793,2 10.083,3 3.333,4 11.11,5 97.128,6 9.34,7 0.593,8 3.815,9 3.929,10 3.566,11 3.372,12 4.968,13 3.372,14 4.339,15 4.494,16 4.009,17 3.803,18 5.495,19 3.779,20 4.568,21 4.731,22 4.169,23 3.954,24 5.669,25 3.891,26 4.657,27 4.869,28 3.926,29 3.883,30 5.703,31 3.789,32 4.583,33 4.809,34 3.671,35 3.734,36 5.569,37 3.639,38 4.46,39 4.705,40 3.607,41 3.664,42 5.391,43 3.534,44 4.301,45 4.536,46 3.564,47 3.521,48 5.285,49 3.398,50 4.092,51 4.305,52 3.481,53 3.338,54 5.195,55 3.226,56 0.114,57 0.612,58 5.458,59 3.003,60 11.977,61 3.488,62 0.319,63 0.968,64 12.318,65 5.597,66 22.798,67 6.831,68 0.444,69 1.12,70 22.849,71 7.491,72 32.344,73 8.857,74 0.533,75 1.156,76 25.034,77 8.855,78 47.378,79 11.443,80 0.625,81 1.059,82 24.587,83 7.291,84 50.646,85 8.715,86 0.412,87 0.934,88 21.952,89 7.245,90 36.445,91 9.618,92 0.409,93 0.726,94 22.91,95 6.456,96 37.208,97 8.083,98 0.423,99 0.567,100 22.011,101 5.154,102 36.66,103 6.116,104 17,105 40,106 0.318,107 0.693,108 0.806,109 0.873,110 0.882,111 0.882,112 3.229,113 0.918,114 -4.97,115 -4.87,116 -4.57,119 41,121 1,125 3,139 3,140 3,141 2,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 5,169 2,170 6,172 3,173 3,175 1,178 5,180 1,181 1,182 6,187 1,189 6,191 1,192 1,193 4,195 3,196 3,197 1,198 2,200 2,201 3,204 2,205 1,206 1,207 2,212 1,215 3,218 1,220 1,221 3,223 1,224 1,226 1,229 4,231 1,234 2,236 1,237 1,241 4,246 4,251 1,254 3,256 1,260 4,265 3,268 2,270 3,273 684,274 15.98,275 15.98,276 15.98,277 15.98,278 15.98,279 13.924,280 21.087,281 9.104,282 16.491,283 13.333,284 13.333,285 13.333,286 13.333,287 13.333,288 10.216,289 28.142,290 4.366,291 14.312,292 3.493,293 1.372,294 0.737,295 0.359,296 0.308,297 0.308,298 3.925,299 2,300 1,301 1,302 1,303 533,304 2.449,306 37.332,307 172.682,310 147.882,314 1.59,315 24.537,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52.167,327 242,328 4.714,329 3.429,330 6.926,331 4.271,332 3.289,333 4.684,334 0.995,335 11.679,336 3.234,337 4.221,338 3.322,339 5.964,340 3.772,341 2.851,342 3.871,343 0.359,344 8.453,345 2.636,346 3.908,347 2.966,348 5.844,349 3.556,350 2.631,351 3.359,353 8.065,354 2.432,355 3.604,356 2.621,357 5.438,358 3.259,359 2.343,360 2.875,362 7.048,363 2.078,364 3.445,365 2.288,366 5.163,367 3.001,368 2.061,369 2.82,371 6.143,372 1.931,373 3.318,374 2.155,375 5.002,376 2.917,377 1.976,378 2.579,380 5.804,381 1.81,382 3.004,383 2.107,384 4.866,385 2.668,386 1.719,387 2.089,389 5.294,390 1.612,391 2.82,392 1.895,393 4.401,394 2.425,395 1.451,396 1.948,398 4.034,399 1.409,400 2.666,401 1.764,402 4.041,403 2.306,404 1.414,405 1.702,407 3.523,408 1.198,409 1.791,410 0.847,411 3.387,412 1.555,413 0.588,414 0.686,415 1.533,416 0.564,417 1.51,418 0.659,419 3.04,420 1.144,421 0.28,422 0.33,423 0.669,424 0.206,425 1.166,426 0.294,427 2.739,428 0.738,429 -0.147,430 -0.174,431 -0.396,432 -0.115,433 0.984,434 -0.032,435 2.515,436 0.631,437 -0.241,438 -0.298,439 -0.652,440 -0.211,441 0.805,442 -0.141,443 2.4,444 0.417,445 -0.497,446 -0.603,448 -1.242,449 -0.445,450 0.676,451 -0.302,452 2.364,453 0.267,454 -0.639,455 -0.767,457 -1.687,458 -0.479,459 11.762,460 0.49,461 0.75,462 0.031,463 31.75,464 1.323,465 15,466 0.625,467 16.75,468 0.698,469 19.709,470 0.821,471 25.438,472 0.652,473 21.188,474 0.883,475 6.152,476 0.256,477 5.356,478 0.223,479 0.189,481 0.417,485 0.895,486 1.27,487 0.537,488 0.801,489 0.981,490 0.751,491 0.731,492 0.871,493 0.564,494 0.728,495 0.439,496 0.741,497 0.999,498 1.199,499 0.828,500 1.033,501 0.819,502 1.052,503 0.746,504 1.134,505 0.795,506 1.108,507 0.602,508 1.118,509 1.361,510 0.926,511 0.962,512 0.936,513 1.291,514 1.079,515 0.69,516 0.914,517 0.818,518 1.031,519 0.863,520 1.105,521 1.148,522 0.779,523 1.123,524 0.92,525 1.172,526 0.951,527 1.364,528 0.801,529 1.566,530 1.09,531 1.433,532 1.02,533 6,534 0.139,535 2.667,536 2.542,537 1.466,538 0.764,539 0.484,540 0.368,541 0.214,542 0.176,543 6585,544 22615,545 2.11,546 38.5,548 9,551 4,553 2,555 1.666,556 1.946,557 3.302,558 1.86,559 1,560 1,564 69.918,565 1.793,566 3.913,567 4.548,568 4.926,569 4.978,570 4.978,571 2.757,572 4.054,573 4.557,574 3.441,575 949.673,576 7.846,577 10968.6,578 1,579 1,581 1,582 206.131,583 1.483,584 4.504,585 0.222,586 0.01,587 0.067,588 0.064,589 0.043,590 0.029,591 0.021,592 0.018,593 0.012,594 0.01,595 0.496,596 0.17,597 1,598 0.622,599 113.724,600 -0.154,601 -0.071,602 -0.005,603 0.04,604 -0.197,605 0.063,606 0.102,607 0.251,608 0.085,609 0.154,610 0.229,611 0.133,612 -0.057,613 -0.166,614 0.011,615 -0.093,616 -0.015,617 -0.133,618 0.15,619 -0.191,620 -0.004,621 -0.151,622 0.207,623 -0.122,624 -0.283,625 0.044,626 -0.18,627 -0.02,628 -0.337,629 -0.132,630 0.054,631 0.027,632 0.001,633 -0.067,634 -0.066,635 -0.074,636 -0.137,637 0.102,638 -0.035,639 0.113,640 -0.162,641 0.1,642 -0.172,643 0.082,644 -0.195,645 -0.017,646 -0.222,647 0.011,648 1.543,649 2.363,650 0.792,651 19.958,652 1.02,653 1.13,654 3.739,655 13.979,656 0.712,657 3.332,658 3.714,659 4.007,660 4.331,661 4.575,662 4.7,663 4.844,664 5.017,665 5.069,666 5.17,667 5.906,668 0.683,669 364.26,670 3.332,671 4.905,672 5.778,673 6.686,674 7.575,675 8.488,676 9.385,677 10.3,678 11.203,679 12.12,680 12.8,683 1,684 2,690 2,694 2,695 3,696 2,698 1,700 7,702 16,711 2,717 2,718 39,719 16,720 1,721 27,723 42,724 16,725 12,726 3,727 3,729 4,730 7,731 2,736 1,739 1,741 12,742 4,753 1,754 1,756 1,757 15,758 6,759 4,760 8,761 2,764 5,769 0.5,770 1,776 1,780 1,781 3,784 2,799 1,802 2,807 2,810 24,811 2,816 4,821 1,828 2,829 2.6,834 1,836 12.333,837 6.969,838 5.056,839 2.203,840 3.12,841 1.409,842 1.043,843 4.043,844 10.75,845 3.584,846 4.273,847 4.895,848 5.538,849 6.062,850 6.376,851 6.697,852 7.078,853 7.208,854 7.448,855 0.857,856 40,857 8.815,859 3.845,860 7.78,861 16.741,863 14.143,865 2.28,866 54.722,870 129.482,871 67.309,872 102.49,873 78.297,874 9.507,877 67.309,878 217.287,879 102.49,881 8.852,882 94.223,883 37.978,884 28.577,885 9.676,886 129.482,887 78.297,888 129.482,889 169.799,890 9.507,891 78.297,893 105.94,894 33.05,897 18.282,898 117.945,899 111.868,901 129.482,902 111.997,903 145.606,906 129.482,907 38.88,908 31.553,910 187.17,911 129.482,912 111.997,913 145.606,915 0.6,916 0.351,917 0.192,918 0.105,919 22,920 10,921 0.048,922 2,923 2,924 1.211,925 3.602,926 204.602,927 0.211,928 19,929 110.039,933 15.964,934 6.077,935 2.963,936 1.245,937 111.997,938 5.684,939 8.172,941 5.863,943 4.668,945 65.794,946 387.085,947 35,956 39.785,957 44.08,958 0.339,959 0.74,960 0.861,961 0.932,962 0.942,963 0.942,964 4.852,965 1.451,966 5.796,967 5.294,968 4.394,969 4.959,970 1.114,971 6.648,972 4.268,973 6.096,974 1.414,975 7.381,976 4.034,977 4.111,978 4.956,979 0.325,980 7.585,981 3.888,982 7.434,983 0.588,984 9.059,985 3.523,986 6.033,987 7.258,988 0.897,989 10.713,990 5.823,991 8.804,992 0.28,993 10.791,994 1.533,995 6.509,996 8.052,997 0.504,998 12.492,999 6.234,1000 10.205,1001 -0.147,1002 12.558,1003 0.669,1004 7.954,1005 9.882,1006 0.792,1007 15.163,1008 7.688,1009 11.629,1010 -0.241,1011 14.351,1012 -0.396,1013 8.794,1014 11.065,1015 0.585,1016 17.334,1017 8.497,1018 13.072,1019 -0.497,1020 16.165,1021 -0.652,1022 10.055,1023 12.709,1024 0.735,1025 19.852,1026 9.759,1027 3.289,1028 -0.639,1029 17.997,1030 -1.242,1031 11.071,1032 14.081,1033 0.622,1034 22.194,1035 10.762,1036 2.851,1037 11.679,1038 19.844,1039 -1.687,1040 12.265,1041 15.653,1042 0.703,1043 24.665,1044 11.952,1045 2.631,1046 8.453,1047 21.704,1048 4.684,1049 13.364,1050 17.114,1051 0.639,1052 27.076,1053 13.046,1054 2.343,1055 8.065,1056 23.576,1057 3.871,1058 14.537,1059 18.66,1060 0.683,1061 29.534,1062 14.214,1063 2.061,1064 7.048,1065 25.457,1066 3.359,1067 15.676,1068 20.162,1069 0.646,1070 31.972,1071 15.348,1072 1.976,1073 6.143,1074 27.346,1075 2.875,1076 16.845,1077 21.7,1078 0.67,1079 34.428,1080 16.512,1081 1.719,1082 5.804,1083 29.243,1084 2.82,1085 18.004,1086 23.222,1087 0.648,1088 36.878,1089 17.664,1090 6241,1091 11683,1092 17.918,1093 27.767,1094 41.483,1095 42.328,1096 42.962,1097 41.46,1098 41.206,1099 53.884,1100 2.707,1101 124.491,1102 38.217,1103 5.659,1104 5.429,1105 6.24,1106 5.343,1107 5.289,1108 7.684,1109 1.754,1110 18.832,1111 5.234,1112 12.542,1113 1.536,1114 1.568,1115 1.591,1116 1.536,1117 1.526,1118 1.996,1119 0.1,1120 4.611,1121 1.415,1122 4.125,1123 4.147,1124 4.132,1125 3.985,1126 5.355,1127 4.009,1128 3.919,1129 3.939,1130 4.08,1131 3.869,1132 5.04,1133 3.861,1134 3.635,1135 3.704,1136 3.595,1137 3.436,1138 4.982,1139 3.456,1140 3.27,1141 3.331,1142 3.404,1143 3.078,1144 4.926,1145 3.085,1146 3.15,1147 3.224,1148 3.344,1149 2.939,1150 4.491,1151 2.943,1152 3.063,1153 3.172,1154 3.093,1155 2.807,1156 4.328,1157 2.818,1158 2.887,1159 2.96,1160 2.992,1161 2.783,1162 4.162,1163 2.763,1164 2.873,1165 2.921,1166 2.801,1167 2.638,1168 4.014,1169 2.659,1170 0.175,1171 0.127,1172 0.257,1173 0.158,1174 0.122,1175 4.714,1176 0.173,1177 3.429,1178 0.037,1179 6.926,1180 0.433,1181 4.271,1182 0.12,1183 3.289,1184 4.684,1185 0.995,1186 11.679,1187 3.234,1188 1.922,1189 1.897,1190 2.026,1191 2.038,1192 1.32,1193 2.039,1194 1.844,1195 1.816,1196 1.92,1197 1.982,1198 1.121,1199 1.955,1200 1.67,1201 1.63,1202 1.764,1203 1.871,1204 0.833,1205 1.863,1206 1.188,1207 1.142,1208 1.434,1209 1.42,1210 0.688,1211 1.415,1212 1.115,1213 1.051,1214 1.362,1215 1.394,1216 0.568,1217 1.389,1218 0.978,1219 0.888,1220 1.263,1221 1.316,1222 0.211,1223 1.318,1224 0.867,1225 0.824,1226 1.097,1227 1.142,1228 0.158,1229 1.146,1230 0.799,1231 0.706,1232 1.078,1233 1.016,1235 1.057,1236 4.007,1238 5.371,1239 2.398,1240 6.923,1241 4.844,1242 8.565,1243 7.066,1244 10.255,1247 12.056,1250 11.625,1252 3.134,1257 2.275,1262 26.638,1263 69.918,1264 152.621,1265 177.376,1266 192.131,1267 194.131,1268 194.131,1269 33.516,1270 7.63,1271 94.2,1272 94.2,1273 23,1274 12.634,1275 4.087,1276 3.17,1277 34.024,1278 88,1279 80,1280 0.199,1281 168.816,1282 278.95,1283 403.671,1284 20733,1285 5.1,1286 16.845,1287 0.702,1288 0.593,1289 17.845,1290 14.233,1291 11.508,1292 0.426,1293 0.306,1294 7.456,1295 10.526,1296 7.25,1297 5.918,1298 12.085,1299 8.261,1300 11.099,1301 0.277,1302 0.167,1303 11.841,1304 6.675,1305 9.304,1306 0.172,1307 0.092,1308 10.218,1309 4.954,1310 8.161,1311 0.109,1312 0.046,1313 8.563,1314 3.445,1315 6.529,1316 0.068,1317 0.025,1318 6.898,1319 2.446,1320 0.311,1321 78.222,1322 0.236,1323 23.307,1324 0.55,1325 134,1326 395.702,1327 177.822,1328 445.513,1329 596.03,1330 414,1331 161,1332 405.435,1333 201.429,1334 428.977,1335 635.53,1336 403,1337 4.686}
{0 CHEMBL312785,1 1.603,2 10.643,3 3.75,4 14.064,5 113.287,6 7.57,7 0.6,8 4.007,9 4.144,10 3.57,11 3.522,12 5.223,13 3.508,14 4.483,15 4.656,16 3.923,17 3.9,18 5.755,19 3.863,20 4.732,21 4.941,22 4.023,23 4.053,24 5.827,25 4.006,26 4.833,27 5.031,28 4.07,29 4.108,30 6.032,31 4.05,32 4.953,33 5.179,34 4.006,35 4.136,36 6.089,37 4.059,38 4.97,39 5.227,40 3.929,41 4.052,42 6.08,43 3.961,44 4.833,45 5.082,46 3.899,47 3.849,48 6.19,49 3.793,50 4.578,51 4.792,52 3.613,53 3.62,54 5.895,55 3.589,56 0.165,57 0.781,58 10.032,59 3.976,60 15.118,61 5.48,62 0.275,63 1.18,64 17.405,65 7.133,66 52.53,67 9.796,68 0.258,69 1.445,70 23.669,71 8.174,72 33.106,73 11.855,74 0.372,75 1.55,76 26.134,77 9.222,78 52.159,79 13.12,80 0.423,81 1.647,82 31.117,83 9.751,84 75.608,85 14.206,86 0.506,87 1.548,88 33.704,89 10.448,90 74.561,91 15.318,92 0.75,93 1.273,94 30.237,95 8.771,96 116.462,97 12.717,98 0.493,99 0.99,100 22.791,101 6.224,102 82.268,103 8.294,104 41,105 42,106 0.268,107 0.609,108 0.749,109 0.85,110 0.859,111 0.859,112 3.375,113 0.892,114 -5.05,115 -4.95,116 -4.64,119 40,120 2,121 1,127 1,139 8,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 11,169 2,170 4,172 3,173 3,175 4,178 12,180 1,182 7,185 1,187 5,189 9,191 1,193 11,195 1,196 3,197 1,198 8,200 2,201 7,204 5,205 1,207 9,212 6,215 10,218 4,220 2,221 7,223 1,224 1,226 2,229 9,231 2,233 4,234 9,236 2,237 4,238 1,239 2,240 1,241 9,243 1,246 7,248 1,249 1,251 1,254 6,260 6,262 2,263 2,264 1,265 2,267 1,268 5,270 2,273 1196,274 18.577,275 18.577,276 18.577,277 18.577,278 18.577,279 16.056,280 23.546,281 10.864,282 18.869,283 14.722,284 14.722,285 14.722,286 14.722,287 14.722,288 10.94,289 33.816,290 5.038,291 15.201,292 4.041,293 2.003,294 1.165,295 0.565,296 0.51,297 0.51,298 4.052,301 1,302 1,303 626,304 3.464,307 298.374,314 1.837,315 32.081,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 61,327 298,328 4.559,329 3.807,330 6.778,331 4.165,332 3.188,333 4.297,334 2.612,335 11.105,336 3.118,337 4.347,338 3.233,339 6.423,340 3.928,341 2.963,342 4.025,343 0.657,344 9.847,345 2.859,346 4.038,347 3.12,348 6.009,349 3.718,350 2.733,351 3.537,353 8.505,354 2.69,355 3.707,356 2.653,357 5.325,358 3.23,359 2.29,360 3.173,362 6.701,363 2.152,364 3.498,365 2.34,366 5.038,367 2.966,368 2,369 2.843,371 5.704,372 1.929,373 3.301,374 2.223,375 4.934,376 2.933,377 1.984,378 2.549,380 5.421,381 1.878,382 3.168,383 1.925,384 4.771,385 2.756,386 1.795,387 2.387,389 5.003,390 1.722,391 3.027,392 1.761,393 4.188,394 2.614,395 1.633,396 2.214,398 3.843,399 1.596,400 2.61,401 1.363,402 3.622,403 2.022,404 1.038,405 1.598,407 2.487,408 1.019,409 2.5,410 1.1,411 3.459,412 2,413 1,414 1.5,415 2.421,416 1,417 2.366,418 1,419 3.324,420 2,421 1,422 1.331,423 2.136,424 1,425 1.744,426 1,427 3.247,428 1.553,429 0.571,430 0.645,431 1.14,432 0.56,433 1.397,434 0.693,435 2.786,436 1.118,437 0.16,438 0.189,439 0.32,440 0.153,441 1.107,442 0.31,443 2.685,444 0.758,445 -0.189,446 -0.231,448 -0.499,449 -0.178,450 1,451 -0.003,452 2.416,453 0.438,454 -0.478,455 -0.587,457 -1.149,458 -0.437,459 13.067,460 0.467,461 0.771,462 0.028,463 40.25,464 1.438,465 22.5,466 0.804,467 17.75,468 0.634,469 21.109,470 0.754,471 30.133,472 0.603,473 32.142,474 1.148,475 7.818,476 0.279,477 5.583,478 0.199,479 0.189,481 0.375,485 0.623,486 1.14,487 0.801,488 0.931,489 0.715,490 0.891,491 0.41,492 1.076,493 0.716,494 1.044,495 0.34,496 0.954,497 0.794,498 1.113,499 0.867,500 0.986,501 0.569,502 0.932,503 0.823,504 1.239,505 1.002,506 1.207,507 0.77,508 1.147,509 1.161,510 1.141,511 1.159,512 1.124,513 1.106,514 1.129,515 1.034,516 0.938,517 0.978,518 1.003,519 1.09,520 0.983,521 1.098,522 0.809,523 0.856,524 0.867,525 1.293,526 0.843,527 2.157,528 0.91,529 1.274,530 0.927,531 2.364,532 0.964,533 6,534 0.112,535 3.333,536 2.625,537 1.849,538 1.319,539 0.892,540 0.439,541 0.402,542 0.217,543 8880,544 25393,545 1.993,546 44,547 3,548 9,551 5,552 2,553 3,555 1.714,556 1.826,557 3.355,558 2.502,560 1,564 80.137,565 1.603,566 3.641,567 4.479,568 5.079,569 5.134,570 5.134,571 2.896,572 4.352,573 4.778,574 3.534,575 1335.89,576 8.328,577 17337.9,579 1,581 1,582 282.193,583 1.531,584 4.714,585 0.2,586 0.006,587 0.079,588 0.057,589 0.04,590 0.031,591 0.023,592 0.012,593 0.015,594 0.01,595 0.475,597 1,598 0.92,599 139.479,600 0.104,601 0.103,602 0.019,603 0.123,604 -0.102,605 0.068,606 0.299,607 0.047,608 0.15,609 0.021,610 0.29,611 0.048,612 -0.052,613 -0.024,614 0.042,615 0.022,617 0.049,618 0.056,619 -0.17,620 -0.085,621 -0.198,622 0.046,623 -0.174,624 -0.197,625 -0.118,626 -0.201,627 -0.153,628 -0.157,629 -0.168,630 -0.027,631 -0.009,632 0.031,633 -0.035,634 -0.073,635 0.004,636 0.282,637 0.085,638 0.207,639 0.073,640 0.216,641 0.114,642 -0.391,643 0.02,644 -0.207,645 -0.001,646 -0.322,647 -0.062,648 2.413,649 4.7,650 0.643,651 25.52,652 1.007,653 1.135,654 3.824,655 14.624,656 0.661,657 3.434,658 3.761,659 4.025,660 4.29,661 4.489,662 4.533,663 4.635,664 4.673,665 4.771,666 4.745,667 6.318,668 0.635,669 378.48,670 3.434,671 4.977,672 5.826,673 6.711,674 7.579,675 8.469,676 9.345,677 10.236,678 11.117,679 12.01,680 12,684 2,685 1,690 2,691 1,695 8,696 2,700 8,702 18,711 2,712 1,713 1,718 50,719 20,720 2,721 30,723 52,724 20,725 16,726 4,727 8,729 3,730 3,734 2,739 2,741 16,742 4,744 2,746 1,748 2,754 1,757 22,758 7,759 5,760 8,764 6,769 1,770 2,776 1,781 3,802 3,806 2,810 28,811 2,816 1,817 1,820 1,829 4,835 2,836 15.333,837 9.35,838 6.25,839 2.976,840 3.185,841 1.442,842 0.975,843 5.879,844 10.385,845 3.738,846 4.363,847 4.922,848 5.502,849 6.032,850 6.267,851 6.654,852 6.96,853 7.353,854 7.615,855 1,856 46,857 10.313,859 4.37,860 7.952,861 19.201,863 15.363,865 2.452,866 68.667,868 1,869 1,870 200.109,871 118.049,872 123.046,874 50.747,877 118.049,878 250.856,879 123.046,880 23.32,881 2.535,882 141.604,883 51.582,884 17.827,885 4.227,886 200.109,887 50.747,888 200.109,889 241.095,890 50.747,893 164.795,894 35.313,895 50.747,897 24.841,898 159.002,899 57.252,901 200.109,902 173.793,903 118.049,906 200.109,907 24.589,908 99.13,909 18.011,910 150.112,911 200.109,912 173.793,913 118.049,915 0.581,916 0.345,917 0.193,918 0.104,919 19,920 10,921 0.115,922 6,924 1,925 3.793,926 241.541,928 18,929 128.606,933 19.74,934 8.339,935 4.299,937 168.123,938 14.68,939 8.218,943 3.514,945 83.805,946 491.951,947 41,949 -0.413,951 23.4,956 50.334,957 56.73,958 0.284,959 0.645,960 0.794,961 0.9,962 0.91,963 0.91,964 4.966,965 1.633,966 5.826,967 5.003,968 4.443,969 5.05,970 2.57,971 6.655,972 4.381,973 6.194,974 1.038,975 7.402,976 3.843,977 4.111,978 4.934,979 2.361,980 7.615,981 4.012,982 7.513,983 1,984 9.079,985 2.487,986 6.052,987 7.273,988 4.16,989 10.721,990 5.933,991 8.868,992 1,993 10.814,994 2.421,995 6.509,996 7.931,997 4.506,998 12.503,999 6.359,1000 10.252,1001 0.571,1002 12.587,1003 2.136,1004 7.953,1005 9.774,1006 5.948,1007 15.136,1008 7.785,1009 11.657,1010 0.16,1011 14.387,1012 1.14,1013 8.773,1014 10.803,1015 6.556,1016 17.263,1017 8.578,1018 13.079,1019 -0.189,1020 16.205,1021 0.32,1022 10.022,1023 12.433,1024 7.794,1025 19.73,1026 9.808,1027 3.188,1028 -0.478,1029 18.038,1030 -0.499,1031 11.011,1032 13.653,1033 8.548,1034 22.004,1035 10.772,1036 2.963,1037 11.105,1038 19.883,1039 -1.149,1040 12.183,1041 15.183,1042 9.67,1043 24.414,1044 11.924,1045 2.733,1046 9.847,1047 21.737,1048 4.297,1049 13.25,1050 16.504,1051 10.509,1052 26.751,1053 12.966,1054 2.29,1055 8.505,1056 23.598,1057 4.025,1058 14.394,1059 17.986,1060 11.563,1061 29.143,1062 14.089,1063 2,1064 6.701,1065 25.465,1066 3.537,1067 15.498,1068 19.362,1069 12.452,1070 31.509,1071 15.169,1072 1.984,1073 5.704,1074 27.337,1075 3.173,1076 16.634,1077 20.82,1078 13.468,1079 33.897,1080 16.283,1081 1.795,1082 5.421,1083 29.214,1084 2.843,1085 17.755,1086 22.226,1087 14.386,1088 36.278,1089 17.38,1090 8781,1091 15022,1092 19.304,1093 33.034,1094 44.989,1095 46.186,1096 47.035,1097 44.784,1098 44.712,1099 60.578,1100 6.539,1101 129.263,1102 43.351,1103 5.394,1104 5.807,1105 6.58,1106 5.236,1107 5.188,1108 7.297,1109 4.612,1110 17.999,1111 5.118,1112 16.534,1113 1.5,1114 1.54,1115 1.568,1116 1.493,1117 1.49,1118 2.019,1119 0.218,1120 4.309,1121 1.445,1122 4.064,1123 4.096,1124 4.032,1125 3.959,1126 7.815,1127 3.969,1128 3.911,1129 3.947,1130 3.846,1131 3.846,1132 6.999,1133 3.841,1134 3.823,1135 3.867,1136 3.792,1137 3.639,1138 5.285,1139 3.664,1140 3.483,1141 3.53,1142 3.436,1143 3.268,1144 4.98,1145 3.258,1146 3.411,1147 3.489,1148 3.267,1149 3.191,1150 4.78,1151 3.188,1152 3.384,1153 3.454,1154 3.204,1155 3.031,1156 4.67,1157 3.124,1158 3.089,1159 3.204,1160 2.962,1161 2.835,1162 4.415,1163 2.855,1164 2.888,1165 2.991,1166 2.725,1167 2.735,1168 4.134,1169 2.715,1170 0.152,1171 0.127,1172 0.226,1173 0.139,1174 0.106,1175 4.559,1176 0.143,1177 3.807,1178 0.087,1179 6.778,1180 0.37,1181 4.165,1182 0.104,1183 3.188,1184 4.297,1185 2.612,1186 11.105,1187 3.118,1188 1.988,1189 1.962,1190 2.076,1191 2.126,1192 1.231,1193 2.1,1194 1.91,1195 1.881,1196 2.022,1197 2.006,1198 1.17,1199 2.015,1200 1.73,1201 1.686,1202 1.874,1203 1.948,1204 1.02,1205 1.908,1206 1.43,1207 1.358,1208 1.714,1209 1.674,1210 0.825,1211 1.668,1212 1.38,1213 1.297,1214 1.619,1215 1.637,1216 0.608,1217 1.654,1218 1.186,1219 1.152,1220 1.288,1221 1.583,1222 0.249,1223 1.525,1224 0.999,1225 0.914,1226 1.259,1227 1.367,1228 0.218,1229 1.351,1230 0.886,1231 0.821,1232 1.181,1233 1.151,1234 0.213,1235 1.168,1236 4.111,1238 5.434,1240 6.957,1242 8.576,1244 10.244,1246 3.866,1250 11.708,1252 0.574,1253 3.215,1256 -0.095,1262 31.772,1263 80.137,1264 182.054,1265 223.928,1266 253.928,1267 256.683,1268 256.683,1269 60.705,1270 7.2,1271 135.67,1272 135.67,1273 18,1274 12.539,1275 4.392,1276 3.585,1277 49.53,1278 106,1279 108,1280 0.232,1281 199.921,1282 341.96,1283 479.568,1284 11838,1286 20.259,1287 0.724,1288 0.561,1289 20.259,1290 15.716,1291 13.401,1292 0.447,1293 0.297,1294 8.814,1295 12.887,1296 8.569,1297 7.182,1298 13.401,1299 8.925,1300 12.152,1301 0.289,1302 0.153,1303 12.152,1304 6.408,1305 9.823,1306 0.179,1307 0.082,1308 9.823,1309 4.519,1310 8.449,1311 0.117,1312 0.044,1313 8.449,1314 3.135,1315 6.594,1316 0.075,1317 0.023,1318 6.594,1319 2.063,1320 0.358,1321 84.107,1322 0.228,1323 26.502,1324 0.651,1325 144,1326 435.364,1327 158.614,1328 429.565,1329 583.46,1330 396,1331 169,1332 442.661,1333 182.84,1334 444.927,1335 643.99,1336 418,1337 6.745}
{0 CHEMBL313034,1 1.723,2 13.378,3 4.525,4 20.473,5 147.263,6 7.882,7 0.462,8 4.298,9 4.421,10 3.893,11 3.754,12 5.488,13 3.754,14 4.8,15 4.981,16 4.23,17 4.091,18 5.961,19 4.076,20 4.968,21 5.147,22 4.357,23 4.241,24 6.115,25 4.217,26 5.05,27 5.239,28 4.35,29 4.298,30 6.187,31 4.251,32 5.196,33 5.42,34 4.302,35 4.34,36 6.263,37 4.27,38 5.214,39 5.464,40 4.331,41 4.355,42 6.239,43 4.254,44 5.203,45 5.455,46 4.392,47 4.305,48 6.275,49 4.211,50 5.055,51 5.267,52 4.34,53 4.245,54 6.176,55 4.174,56 0.169,57 0.98,58 13.159,59 5.658,60 17.66,61 7.321,62 0.621,63 1.417,64 26.531,65 9.114,66 51.63,67 12.08,68 0.764,69 1.67,70 32.745,71 9.667,72 61.929,73 13.378,74 0.614,75 1.843,76 34.909,77 10.884,78 62.751,79 15.474,80 0.974,81 2.002,82 41.374,83 11.547,84 84.513,85 17.17,86 0.805,87 1.96,88 44.175,89 13.471,90 79.791,91 20.025,92 1.05,93 1.748,94 51.911,95 13.554,96 102.835,97 19.678,98 0.984,99 1.568,100 44.797,101 12.114,102 75.629,103 16.236,104 84,105 53,106 0.273,107 0.629,108 0.812,109 0.863,110 0.867,111 0.872,112 3.642,113 0.912,114 -4.33,115 -4.27,116 -4.03,119 37.3,120 2,121 1,124 2,125 3,139 6,140 3,141 4,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 8,169 3,170 9,172 3,173 3,175 1,178 8,180 1,181 2,182 14,187 1,189 7,191 1,192 1,193 17,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 3,207 13,212 4,215 4,218 4,220 5,221 7,223 1,224 1,226 2,229 2,231 2,233 5,234 8,236 1,237 1,239 2,241 7,243 2,245 4,246 7,248 2,249 2,254 12,259 1,260 6,262 1,263 1,265 1,268 9,270 1,273 2824,274 24.695,275 24.695,276 24.695,277 24.695,278 24.695,279 22.092,280 33.373,281 14.5,282 25.551,283 19.035,284 19.035,285 19.035,286 19.035,287 19.035,288 14.917,289 40.758,290 6.616,291 20.262,292 4.343,293 2.093,294 0.933,295 0.612,296 0.582,297 0.553,298 4.321,299 1,303 1022,304 4.472,307 422.137,314 1.828,315 41.968,318 0.5,319 0.5,320 0.5,321 0.8,322 1,323 0.33,325 0.52,326 81.833,327 495,328 4.535,329 3.627,330 6.77,331 4.146,332 3.171,333 4.257,334 2.443,335 11.076,336 3.094,337 4.269,338 3.279,339 6.168,340 3.867,341 2.912,342 3.912,343 0.86,344 9.144,345 2.78,346 4.183,347 3.219,348 6.048,349 3.727,350 2.795,351 3.814,352 0.86,353 8.677,354 2.585,355 3.712,356 3.111,357 5.53,358 3.479,359 2.537,360 3.018,361 0.657,362 7.505,363 2.381,364 3.614,365 2.868,366 5.303,367 3.186,368 2.259,369 2.925,370 0.286,371 6.619,372 2.113,373 3.545,374 2.385,375 5.038,376 3.184,377 2.221,378 2.713,380 5.921,381 2.084,382 3.341,383 2.311,384 4.993,385 2.995,386 2.026,387 2.552,389 5.702,390 1.947,391 3.299,392 2.226,393 4.756,394 2.932,395 1.985,396 2.517,398 5.146,399 1.875,400 3.103,401 2.166,402 4.647,403 2.679,404 1.732,405 2.311,407 4.931,408 1.633,409 2.919,410 1.975,411 4.362,412 2.521,413 1.609,414 2.057,415 4.119,416 1.461,417 2.906,418 1.844,419 4.232,420 2.457,421 1.532,422 2.019,423 3.953,424 1.364,425 2.391,426 1.721,427 3.341,428 2.043,429 1.085,430 1.256,431 2.32,432 1.027,433 2.056,434 1.118,435 3.327,436 1.667,437 0.744,438 0.922,439 1.563,440 0.677,441 1.882,442 0.936,443 3.202,444 1.553,445 0.61,446 0.755,448 1.229,449 0.557,450 1.747,451 0.845,452 3.005,453 1.508,454 0.549,455 0.64,457 1.086,458 0.526,459 17.348,460 0.469,461 0.924,462 0.025,463 47.25,464 1.277,465 23.5,466 0.635,467 23.75,468 0.642,469 35.116,470 0.949,471 41.452,472 0.619,473 42.13,474 1.139,475 9.713,476 0.263,477 8.035,478 0.217,479 0.222,481 0.34,485 0.83,486 1.33,487 0.691,488 1.134,489 0.822,490 0.991,491 0.996,492 0.958,493 0.697,494 0.815,495 0.607,496 0.779,497 1.177,498 1.17,499 0.97,500 0.92,501 1.086,502 0.918,503 0.933,504 1.394,505 1.02,506 1.228,507 0.85,508 1.17,509 1.081,510 1.161,511 0.966,512 0.976,513 1.042,514 1.068,515 0.664,516 1.076,517 0.84,518 0.995,519 0.678,520 1.017,521 0.854,522 0.855,523 1.062,524 0.922,525 0.802,526 0.875,527 1.097,528 0.799,529 1.355,530 0.99,531 0.922,532 0.949,533 8.5,534 0.421,535 4,536 3,537 2.191,538 1.368,539 0.974,540 0.651,541 0.559,542 0.429,543 19589,544 62072,545 1.964,546 44.8,547 3,548 18,551 4,552 5,555 1.786,556 1.805,557 3.67,558 1.552,564 115.473,565 1.723,566 3.973,567 5.133,568 5.454,569 5.484,570 5.514,571 3.025,572 4.939,573 5.183,574 3.871,575 2577.86,576 9.147,577 43374.2,582 406.428,583 1.52,584 5.118,585 0.218,586 0.009,587 0.075,588 0.052,589 0.038,590 0.026,591 0.019,592 0.013,593 0.011,594 0.008,595 0.469,597 0.63,598 1.388,599 204.522,600 -0.028,601 -0.048,602 0.027,603 -0.07,604 -0.109,605 -0.014,606 0.04,607 0.14,608 0.146,609 0.19,610 0.156,611 0.188,612 -0.121,613 -0.043,614 -0.039,615 0.07,616 -0.14,617 0.027,618 -0.073,619 -0.256,620 -0.128,621 -0.232,622 -0.039,623 -0.205,624 -0.143,625 -0.087,626 -0.14,627 -0.052,628 -0.184,629 -0.131,630 0.074,631 -0.061,632 0.072,633 -0.027,634 0.036,635 -0.02,636 0.103,637 0.073,638 0.149,639 0.088,640 0.112,641 0.136,642 0.006,643 0.188,644 -0.043,645 0.062,646 -0.004,647 0.048,648 2.047,649 4.264,650 0.486,651 42.063,652 1.014,653 1.138,654 3.102,655 9.623,656 0.655,657 3.689,658 3.989,659 4.22,660 4.454,661 4.644,662 4.71,663 4.771,664 4.828,665 4.883,666 4.92,667 8.116,668 0.629,669 528.07,670 3.689,671 5.22,672 6.052,673 6.921,674 7.772,675 8.646,676 9.506,677 10.384,678 11.248,679 12.128,680 10.4,684 2,687 1,690 2,692 2,695 6,696 2,700 10,702 18,711 2,716 2,717 1,718 67,719 20,720 2,721 39,723 69,724 25,725 16,726 6,727 6,729 3,730 3,731 1,734 2,739 1,741 17,742 8,744 2,748 1,750 2,751 1,757 30,758 11,759 4,760 12,761 1,764 7,769 1,770 4,776 1,781 3,793 1,802 3,806 4,807 1,810 37,811 2,816 4,818 3,821 1,828 1,829 6,832 1,834 3,836 20.5,837 13.226,838 8.472,839 3.767,840 3.808,841 1.494,842 0.94,843 10.319,844 11.508,845 3.932,846 4.505,847 5.042,848 5.592,849 6.119,850 6.362,851 6.668,852 6.989,853 7.326,854 7.612,855 0.889,856 58,857 13.579,859 5.517,860 7.877,861 25.349,863 19.455,865 2.377,866 87.944,870 306.049,871 148.088,872 135.571,873 39.149,874 58.145,877 148.088,878 403.342,879 135.571,880 39.417,881 14.34,882 122.652,883 65.907,884 62.057,885 37.431,886 306.049,887 39.149,888 306.049,889 283.659,890 58.145,891 39.149,893 306.049,894 58.145,897 36.646,898 180.238,899 105.923,901 306.049,902 193.715,903 187.237,906 306.049,907 51.814,908 99.276,910 229.862,911 306.049,912 193.715,913 187.237,915 0.571,916 0.333,917 0.18,918 0.096,919 21,920 12,921 0.174,922 12,924 1,925 4.544,926 340.627,928 18,929 192.75,933 28.442,934 13.424,935 7.679,937 193.715,938 10.819,939 8.402,943 5.402,945 65.794,946 687.001,947 50,951 11.264,953 8.768,954 -0.381,956 67.949,957 76.252,958 0.284,959 0.655,960 0.846,961 0.899,962 0.904,963 0.909,964 5.162,965 1.985,966 6.038,967 5.702,968 4.673,969 5.193,970 2.699,971 6.83,972 4.559,973 6.368,974 1.732,975 7.59,976 5.146,977 4.29,978 5.037,979 2.243,980 7.722,981 4.122,982 7.672,983 1.609,984 9.239,985 4.931,986 6.252,987 7.364,988 3.895,989 10.79,990 6.051,991 9.01,992 1.532,993 10.945,994 4.119,995 6.648,996 7.981,997 4.269,998 12.505,999 6.395,1000 10.376,1001 1.085,1002 12.688,1003 3.953,1004 8.096,1005 9.818,1006 5.494,1007 15.112,1008 7.821,1009 11.764,1010 0.744,1011 14.457,1012 2.32,1013 8.862,1014 10.812,1015 6.158,1016 17.198,1017 8.543,1018 13.168,1019 0.61,1020 16.247,1021 1.563,1022 10.106,1023 12.437,1024 7.209,1025 19.648,1026 9.768,1027 3.171,1028 0.549,1029 18.053,1030 1.229,1031 11.055,1032 13.629,1033 7.992,1034 21.901,1035 10.682,1036 2.912,1037 11.076,1038 19.873,1039 1.086,1040 12.216,1041 15.152,1042 8.963,1043 24.301,1044 11.825,1045 2.795,1046 9.144,1047 21.705,1048 4.257,1049 13.255,1050 16.45,1051 9.802,1052 26.63,1053 12.835,1054 2.537,1055 8.677,1056 23.547,1057 3.912,1058 14.387,1059 17.922,1060 10.734,1061 29.018,1062 13.949,1063 2.259,1064 7.505,1065 25.397,1066 3.814,1067 15.47,1068 19.278,1069 11.599,1070 31.382,1071 15.008,1072 2.221,1073 6.619,1074 27.255,1075 3.018,1076 16.594,1077 20.725,1078 12.512,1079 33.77,1080 16.113,1081 2.026,1082 5.921,1083 29.118,1084 2.925,1085 17.699,1086 22.112,1087 13.391,1088 36.152,1089 17.198,1090 19515,1091 34918,1092 24.967,1093 43.853,1094 57.137,1095 58.554,1096 59.992,1097 56.581,1098 56.52,1099 72.44,1100 10.212,1101 159.501,1102 53.045,1103 5.444,1104 5.627,1105 6.326,1106 5.216,1107 5.171,1108 7.257,1109 4.174,1110 17.964,1111 5.094,1112 24.063,1113 1.465,1114 1.501,1115 1.538,1116 1.451,1117 1.449,1118 1.857,1119 0.262,1120 4.09,1121 1.36,1122 4.023,1123 4.057,1124 4.058,1125 3.94,1126 7.434,1127 3.945,1128 3.935,1129 3.958,1130 3.889,1131 3.85,1132 5.288,1133 3.855,1134 3.768,1135 3.815,1136 3.824,1137 3.629,1138 5.043,1139 3.643,1140 3.659,1141 3.699,1142 3.573,1143 3.413,1144 4.976,1145 3.44,1146 3.474,1147 3.521,1148 3.395,1149 3.219,1150 4.924,1151 3.245,1152 3.392,1153 3.485,1154 3.288,1155 3.193,1156 4.717,1157 3.184,1158 3.263,1159 3.327,1160 3.204,1161 3.031,1162 4.496,1163 3.035,1164 3.247,1165 3.314,1166 3.101,1167 2.951,1168 4.465,1169 2.959,1170 0.116,1171 0.093,1172 0.174,1173 0.106,1174 0.081,1175 4.535,1176 0.109,1177 3.627,1178 0.063,1179 6.77,1180 0.284,1181 4.146,1182 0.079,1183 3.171,1184 4.257,1185 2.443,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.025,1191 2.066,1192 1.193,1193 2.054,1194 1.901,1195 1.882,1196 2.003,1197 2.018,1198 1.183,1199 2.012,1200 1.707,1201 1.664,1202 1.852,1203 1.88,1204 1.015,1205 1.866,1206 1.565,1207 1.516,1208 1.79,1209 1.819,1210 1.002,1211 1.809,1212 1.388,1213 1.33,1214 1.664,1215 1.664,1216 0.696,1217 1.659,1218 1.378,1219 1.296,1220 1.614,1221 1.632,1222 0.646,1223 1.648,1224 1.226,1225 1.16,1226 1.577,1227 1.524,1228 0.596,1229 1.54,1230 1.191,1231 1.115,1232 1.575,1233 1.504,1234 0.574,1235 1.53,1236 4.369,1238 5.673,1240 7.168,1242 8.757,1244 10.398,1246 6.444,1247 6.43,1250 11.927,1252 1.407,1254 15.804,1257 1.658,1262 42.158,1263 115.473,1264 266.215,1265 343.899,1266 365.408,1267 367.408,1268 369.408,1269 88.884,1270 7.7,1271 150.54,1272 150.54,1273 18,1274 12.667,1275 4.392,1276 3.585,1277 76.724,1278 180,1279 174,1280 0.202,1281 268.075,1282 469.61,1283 645.864,1284 24063,1285 1.5,1286 26.949,1287 0.728,1288 0.593,1289 27.449,1290 21.95,1291 17.748,1292 0.455,1293 0.304,1294 11.274,1295 16.499,1296 10.864,1297 9.089,1298 18.037,1299 11.857,1300 15.63,1301 0.295,1302 0.157,1303 16,1304 8.323,1305 12.456,1306 0.186,1307 0.085,1308 12.836,1309 5.665,1310 10.31,1311 0.121,1312 0.044,1313 10.545,1314 3.768,1315 7.976,1316 0.077,1317 0.024,1318 8.219,1319 2.484,1320 0.32,1321 116.294,1322 0.2,1323 33.725,1324 0.548,1325 184,1326 631.996,1327 223.106,1328 628.133,1329 838.44,1330 586,1331 212,1332 590.476,1333 246.518,1334 603.167,1335 869.23,1336 562,1337 6.409}
{0 CHEMBL313131,1 1.659,2 12.059,3 5.044,4 25.439,5 139.378,6 7.775,7 0.5,8 4.21,9 4.343,10 3.797,11 3.716,12 5.379,13 3.697,14 4.708,15 4.895,16 4.145,17 4.068,18 5.857,19 4.026,20 4.919,21 5.118,22 4.247,23 4.207,24 6.016,25 4.155,26 4.98,27 5.187,28 4.228,29 4.232,30 6.083,31 4.159,32 5.103,33 5.353,34 4.213,35 4.244,36 6.15,37 4.168,38 5.099,39 5.35,40 4.258,41 4.272,42 6.143,43 4.177,44 5.099,45 5.344,46 4.302,47 4.254,48 6.19,49 4.149,50 4.975,51 5.2,52 4.229,53 4.195,54 6.051,55 4.102,56 0.115,57 0.935,58 12.272,59 5.223,60 15.498,61 6.988,62 0.403,63 1.382,64 23.587,65 8.729,66 40.92,67 11.98,68 0.526,69 1.632,70 31.852,71 9.529,72 54.109,73 13.497,74 0.439,75 1.762,76 33.34,77 10.366,78 57.032,79 15.142,80 0.678,81 1.887,82 38.68,83 10.445,84 72.351,85 16.15,86 0.553,87 1.829,88 39.333,89 11.8,90 69.872,91 17.497,92 0.737,93 1.654,94 46.435,95 12.693,96 89.848,97 18.044,98 0.694,99 1.46,100 42.638,101 12.09,102 65.183,103 16.056,104 57,105 49,106 0.266,107 0.628,108 0.801,109 0.872,110 0.883,111 0.888,112 3.56,113 0.935,114 -5.58,115 -5.45,116 -5.09,119 38.7,120 3,121 1,125 3,139 7,140 4,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 12,169 3,170 7,172 3,173 3,175 1,178 14,180 1,181 1,182 10,187 1,189 11,191 1,192 1,193 17,195 1,196 1,197 1,198 5,200 2,201 5,204 5,205 1,206 2,207 16,212 4,215 4,218 4,220 3,221 10,223 1,224 1,226 2,229 2,231 2,233 3,234 11,236 1,237 1,239 2,241 7,243 2,245 2,246 8,248 2,249 2,254 14,260 7,262 1,263 1,265 1,268 18,270 1,273 2180,274 22.507,275 22.507,276 22.507,277 22.507,278 22.507,279 19.824,280 26.998,281 13.349,282 23.019,283 17.687,284 17.687,285 17.687,286 17.687,287 17.687,288 13.657,289 31.558,290 6.258,291 18.553,292 4.295,293 2.045,294 0.966,295 0.52,296 0.456,297 0.424,298 4.239,299 1,302 1,303 849,304 4.183,307 380.374,314 1.765,315 34.55,318 0.75,319 0.5,320 0.83,321 1,322 0.5,323 1,324 1,325 0.8,326 73.833,327 410,328 4.535,329 3.627,330 6.77,331 4.146,332 3.171,333 4.257,334 2.443,335 11.076,336 3.094,337 4.196,338 3.279,339 6.068,340 3.836,341 2.852,342 3.816,343 0.657,344 8.772,345 2.815,346 4.165,347 3.122,348 6.042,349 3.719,350 2.782,351 3.778,352 0.286,353 8.654,354 2.58,355 3.642,356 3.082,357 5.311,358 3.34,359 2.389,360 3.012,362 6.755,363 2.263,364 3.569,365 2.593,366 5.276,367 3.186,368 2.256,369 2.724,371 6.594,372 2.101,373 3.478,374 2.385,375 5.038,376 3.146,377 2.183,378 2.618,380 5.702,381 2.055,382 3.3,383 2.226,384 4.756,385 2.932,386 1.985,387 2.548,389 5.156,390 1.876,391 3.109,392 1.978,393 4.65,394 2.682,395 1.733,396 2.324,398 4.932,399 1.638,400 2.955,401 1.856,402 4.244,403 2.485,404 1.549,405 2.104,407 3.989,408 1.446,409 2.867,410 1.812,411 4.132,412 2.417,413 1.434,414 2.018,415 3.685,416 1.414,417 2.798,418 1.587,419 3.599,420 2.414,421 1.414,422 1.903,423 2.971,424 1.357,425 2.39,426 1.465,427 3.341,428 2.035,429 1.073,430 1.256,431 2.308,432 1.02,433 2.021,434 0.845,435 3.327,436 1.584,437 0.63,438 0.839,439 1.449,440 0.586,441 1.748,442 0.716,443 3.126,444 1.535,445 0.558,446 0.643,448 1.107,449 0.541,450 1.398,451 0.596,452 2.753,453 1.102,454 0.163,455 0.192,457 0.337,458 0.142,459 16.181,460 0.476,461 0.894,462 0.026,463 43.75,464 1.287,465 22.5,466 0.662,467 21.25,468 0.625,469 31.79,470 0.935,471 37.219,472 0.6,473 36.681,474 1.079,475 8.785,476 0.258,477 7.493,478 0.22,479 0.207,481 0.334,485 0.766,486 1.23,487 0.696,488 1.032,489 0.813,490 0.953,491 0.696,492 1.016,493 0.671,494 0.899,495 0.483,496 0.863,497 1.244,498 1.144,499 0.98,500 0.915,501 1.079,502 0.935,503 0.867,504 1.403,505 1.021,506 1.237,507 0.819,508 1.188,509 1.03,510 1.116,511 0.857,512 0.888,513 0.955,514 0.945,515 0.844,516 1.029,517 0.856,518 0.922,519 0.733,520 0.949,521 1.011,522 0.876,523 1.161,524 1,525 0.882,526 0.951,527 1.275,528 0.705,529 1.352,530 0.943,531 0.943,532 0.894,533 7.5,534 0.293,535 3.778,536 2.688,537 2,538 1.187,539 0.851,540 0.589,541 0.592,542 0.326,543 15578,544 46097,545 1.977,546 45.2,547 6,548 13,551 4,552 5,555 1.765,556 1.821,557 3.538,558 1.575,564 102.864,565 1.659,566 3.909,567 4.988,568 5.434,569 5.498,570 5.531,571 2.913,572 4.793,573 5.061,574 3.758,575 2108.02,576 8.902,577 33161.3,582 369.16,583 1.508,584 4.999,585 0.208,586 0.008,587 0.077,588 0.052,589 0.04,590 0.024,591 0.017,592 0.013,593 0.013,594 0.007,595 0.459,597 0.75,598 1.308,599 182.616,600 0.002,601 0.031,602 0.019,603 -0.001,604 -0.113,605 0.014,606 0.207,607 0.098,608 0.145,609 0.105,610 0.215,611 0.114,612 -0.164,613 -0.05,614 -0.047,615 0.058,616 -0.155,617 0.01,618 -0.008,619 -0.299,620 -0.12,621 -0.265,622 -0.016,623 -0.23,624 -0.085,625 -0.062,626 -0.024,627 0.008,628 -0.101,629 -0.018,630 0.009,631 -0.007,632 0.066,633 0.025,634 0.016,635 0.018,636 0.074,637 0.065,638 0.072,639 0.02,640 0.067,641 0.048,642 -0.034,643 0.228,644 -0.002,645 0.125,646 -0.019,647 0.118,648 2.015,649 4.194,650 0.529,651 36.118,652 1.007,653 1.136,654 4.352,655 18.94,656 0.664,657 3.611,658 3.912,659 4.127,660 4.357,661 4.554,662 4.595,663 4.644,664 4.718,665 4.796,666 4.787,667 7.559,668 0.632,669 482.04,670 3.611,671 5.142,672 5.969,673 6.834,674 7.682,675 8.554,676 9.411,677 10.286,678 11.149,679 12.027,680 11.3,684 2,687 1,690 2,692 2,695 7,696 2,700 9,702 18,711 2,717 1,718 62,719 20,720 2,721 36,723 64,724 24,725 16,726 5,727 7,729 3,730 3,731 1,734 3,739 1,741 17,742 7,744 2,748 1,750 2,751 1,757 28,758 9,759 4,760 10,761 1,764 7,769 1,770 2,776 1,781 3,793 1,802 3,806 3,807 1,810 34,811 2,816 4,818 1,821 1,828 1,829 3.2,832 1,834 1,836 18.667,837 11.976,838 7.639,839 3.656,840 3.751,841 1.5,842 0.956,843 8.939,844 11.245,845 3.871,846 4.449,847 4.972,848 5.517,849 6.042,850 6.26,851 6.578,852 6.933,853 7.287,854 7.563,855 0.875,856 52,857 12.49,859 5.108,860 7.832,861 23.505,863 18.323,865 2.332,866 79.278,870 282.506,871 137.322,872 135.571,873 39.149,874 36.145,877 137.322,878 357.8,879 135.571,880 26.476,881 14.34,882 132.128,883 65.907,884 32.756,885 37.431,886 282.506,887 39.149,888 282.506,889 272.893,890 36.145,891 39.149,893 282.506,894 36.145,897 45.472,898 160.647,899 105.923,901 282.506,902 171.716,903 176.471,906 282.506,907 44.513,908 95.811,910 207.862,911 282.506,912 171.716,913 176.471,915 0.576,916 0.326,917 0.173,918 0.095,919 20,920 11,921 0.156,922 10,924 1,925 4.34,926 303.852,928 18,929 170.974,933 25.569,934 11.887,935 6.974,937 171.716,938 13.34,939 8.404,943 5.705,945 65.794,946 630.693,947 47,951 11.194,953 8.793,954 -0.349,956 62.411,957 70.418,958 0.279,959 0.657,960 0.838,961 0.913,962 0.923,963 0.929,964 5.097,965 1.733,966 5.953,967 5.156,968 4.595,969 5.136,970 2.477,971 6.737,972 4.506,973 6.304,974 1.549,975 7.501,976 4.932,977 4.205,978 4.945,979 2.243,980 7.612,981 4.061,982 7.604,983 1.434,984 9.147,985 3.989,986 6.163,987 7.298,988 3.849,989 10.693,990 6.002,991 8.937,992 1.414,993 10.852,994 3.685,995 6.553,996 7.886,997 4.269,998 12.41,999 6.349,1000 10.3,1001 1.073,1002 12.595,1003 2.971,1004 8.005,1005 9.747,1006 5.487,1007 15.027,1008 7.787,1009 11.684,1010 0.63,1011 14.367,1012 2.308,1013 8.768,1014 10.721,1015 6.158,1016 17.12,1017 8.519,1018 13.087,1019 0.558,1020 16.159,1021 1.449,1022 10.017,1023 12.362,1024 7.208,1025 19.578,1026 9.751,1027 3.171,1028 0.163,1029 17.97,1030 1.107,1031 10.965,1032 13.542,1033 7.992,1034 21.839,1035 10.676,1036 2.852,1037 11.076,1038 19.794,1039 0.337,1040 12.13,1041 15.074,1042 8.963,1043 24.246,1044 11.824,1045 2.782,1046 8.772,1047 21.629,1048 4.257,1049 13.169,1050 16.365,1051 9.802,1052 26.582,1053 12.842,1054 2.389,1055 8.654,1056 23.475,1057 3.816,1058 14.304,1059 17.842,1060 10.734,1061 28.976,1062 13.959,1063 2.256,1064 6.755,1065 25.329,1066 3.778,1067 15.388,1068 19.194,1069 11.599,1070 31.345,1071 15.023,1072 2.183,1073 6.594,1074 27.19,1075 3.012,1076 16.515,1077 20.644,1078 12.512,1079 33.738,1080 16.131,1081 1.985,1082 5.702,1083 29.057,1084 2.724,1085 17.622,1086 22.03,1087 13.391,1088 36.124,1089 17.219,1090 15451,1091 26768,1092 23.175,1093 41.182,1094 53.204,1095 54.063,1096 55.199,1097 52.678,1098 52.515,1099 68.263,1100 6.772,1101 147.342,1102 50.016,1103 5.444,1104 5.627,1105 6.458,1106 5.216,1107 5.171,1108 7.257,1109 4.174,1110 17.964,1111 5.094,1112 21.079,1113 1.478,1114 1.502,1115 1.533,1116 1.463,1117 1.459,1118 1.896,1119 0.188,1120 4.093,1121 1.389,1122 4.023,1123 4.058,1124 4.058,1125 3.942,1126 7.434,1127 3.946,1128 3.937,1129 3.971,1130 3.874,1131 3.877,1132 5.287,1133 3.871,1134 3.767,1135 3.816,1136 3.824,1137 3.629,1138 5.04,1139 3.643,1140 3.656,1141 3.698,1142 3.566,1143 3.413,1144 4.975,1145 3.438,1146 3.458,1147 3.513,1148 3.378,1149 3.211,1150 4.762,1151 3.232,1152 3.392,1153 3.485,1154 3.286,1155 3.192,1156 4.686,1157 3.184,1158 3.172,1159 3.257,1160 3.204,1161 3.028,1162 4.465,1163 3.004,1164 3.142,1165 3.234,1166 2.993,1167 2.939,1168 4.428,1169 2.933,1170 0.126,1171 0.101,1172 0.188,1173 0.115,1174 0.088,1175 4.535,1176 0.118,1177 3.627,1178 0.068,1179 6.77,1180 0.308,1181 4.146,1182 0.086,1183 3.171,1184 4.257,1185 2.443,1186 11.076,1187 3.094,1188 1.959,1189 1.935,1190 2.063,1191 2.066,1192 1.228,1193 2.057,1194 1.935,1195 1.907,1196 2.023,1197 2.026,1198 1.189,1199 2.036,1200 1.707,1201 1.664,1202 1.852,1203 1.879,1204 1.032,1205 1.867,1206 1.566,1207 1.515,1208 1.796,1209 1.817,1210 1.003,1211 1.81,1212 1.386,1213 1.321,1214 1.664,1215 1.652,1216 0.699,1217 1.656,1218 1.376,1219 1.295,1220 1.614,1221 1.632,1222 0.645,1223 1.644,1224 1.209,1225 1.13,1226 1.553,1227 1.418,1228 0.597,1229 1.469,1230 1.122,1231 1.044,1232 1.428,1233 1.383,1234 0.593,1235 1.393,1236 4.29,1238 5.595,1240 7.086,1242 8.671,1244 10.307,1246 5.366,1247 6.413,1250 11.907,1252 1.681,1254 5.095,1257 1.729,1262 39.202,1263 102.864,1264 242.37,1265 309.244,1266 336.896,1267 340.896,1268 342.896,1269 75.15,1270 7.494,1271 132.08,1272 132.08,1273 18,1274 12.568,1275 4.392,1276 3.585,1277 67.029,1278 155,1279 138,1280 0.207,1281 250.49,1282 434.73,1283 602.957,1284 18470,1285 1.6,1286 24.665,1287 0.725,1288 0.594,1289 25.165,1290 20.211,1291 16.278,1292 0.452,1293 0.312,1294 10.722,1295 15.335,1296 10.332,1297 8.636,1298 16.567,1299 11.221,1300 14.636,1301 0.299,1302 0.164,1303 15.006,1304 8.06,1305 11.417,1306 0.187,1307 0.09,1308 11.797,1309 5.466,1310 9.335,1311 0.121,1312 0.046,1313 9.569,1314 3.563,1315 7.313,1316 0.078,1317 0.025,1318 7.555,1319 2.363,1320 0.327,1321 105.244,1322 0.208,1323 31.428,1324 0.566,1325 170,1326 528.524,1327 203.349,1328 544.103,1329 730.09,1330 506,1331 195,1332 519.385,1333 223.428,1334 533.204,1335 768.02,1336 500,1337 4.95}
{0 CHEMBL313440,1 1.707,2 13.257,3 4.541,4 20.622,5 140.8,6 7.905,7 0.486,8 4.234,9 4.361,10 3.834,11 3.714,12 5.421,13 3.708,14 4.731,15 4.911,16 4.173,17 4.056,18 5.9,19 4.029,20 4.922,21 5.114,22 4.27,23 4.192,24 6.045,25 4.154,26 4.974,27 5.175,28 4.244,29 4.223,30 6.099,31 4.161,32 5.087,33 5.326,34 4.217,35 4.247,36 6.151,37 4.172,38 5.107,39 5.358,40 4.261,41 4.263,42 6.147,43 4.17,44 5.068,45 5.302,46 4.321,47 4.233,48 6.183,49 4.14,50 4.976,51 5.197,52 4.259,53 4.18,54 6.083,55 4.099,56 0.145,57 0.939,58 12.228,59 5.278,60 16.717,61 6.882,62 0.51,63 1.369,64 24.131,65 8.652,66 45.944,67 11.562,68 0.63,69 1.606,70 31.64,71 9.283,72 58.931,73 12.902,74 0.545,75 1.732,76 32.813,77 10.077,78 60.445,79 14.52,80 0.709,81 1.857,82 37.031,83 10.391,84 73.066,85 15.878,86 0.697,87 1.791,88 39.94,89 11.964,90 74.041,91 17.644,92 0.816,93 1.598,94 44.608,95 12.235,96 88.909,97 17.257,98 0.799,99 1.455,100 42.394,101 11.63,102 68.15,103 15.511,104 62,105 50,106 0.273,107 0.64,108 0.82,109 0.87,110 0.87,111 0.87,112 3.588,113 0.918,114 -4.85,115 -4.76,116 -4.47,119 38.1,120 2,121 1,124 1,125 3,139 7,140 3,141 3,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 9,169 3,170 9,172 3,173 3,175 1,178 10,180 1,181 1,182 12,187 1,189 8,191 1,192 1,193 17,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 2,207 14,212 4,215 4,218 4,220 4,221 8,223 1,224 1,226 2,229 2,231 2,233 4,234 9,236 1,237 1,239 2,241 7,243 2,245 3,246 7,248 2,249 2,254 13,259 1,260 6,262 1,263 1,265 1,268 13,270 1,273 2438,274 23.325,275 23.325,276 23.325,277 23.325,278 23.325,279 20.722,280 30.454,281 13.791,282 24.016,283 18.12,284 18.12,285 18.12,286 18.12,287 18.12,288 14.1,289 36.161,290 6.403,291 19.177,292 4.271,293 1.981,294 0.856,295 0.544,296 0.544,297 0.544,298 4.268,299 1,302 1,303 962,304 4.301,307 397.157,314 1.807,315 37.649,318 1,319 0.5,320 0.83,321 1,322 1,323 0.67,325 0.71,326 76.833,327 464,328 4.535,329 3.627,330 6.77,331 4.146,332 3.171,333 4.257,334 2.443,335 11.076,336 3.094,337 4.185,338 3.278,339 6.048,340 3.742,341 2.803,342 3.815,343 0.86,344 8.678,345 2.653,346 4.051,347 3.113,348 5.61,349 3.669,350 2.704,351 3.64,352 0.657,353 7.765,354 2.568,355 3.665,356 2.981,357 5.314,358 3.381,359 2.44,360 3.014,361 0.286,362 6.842,363 2.289,364 3.599,365 2.768,366 5.297,367 3.186,368 2.258,369 2.84,371 6.614,372 2.106,373 3.537,374 2.385,375 5.038,376 3.173,377 2.212,378 2.71,380 5.802,381 2.075,382 3.325,383 2.309,384 4.94,385 2.972,386 2.01,387 2.551,389 5.702,390 1.917,391 3.299,392 2.226,393 4.756,394 2.931,395 1.984,396 2.508,398 5.144,399 1.875,400 3.103,401 1.975,402 4.646,403 2.679,404 1.732,405 2.311,407 4.931,408 1.633,409 2.906,410 1.844,411 4.232,412 2.457,413 1.532,414 2.019,415 3.954,416 1.364,417 2.5,418 1.725,419 3.414,420 2.043,421 1.085,422 1.5,423 2.32,424 1.027,425 2.391,426 1.152,427 3.341,428 2,429 1,430 1.256,431 2.275,432 1,433 2.04,434 1,435 3.327,436 1.621,437 0.681,438 0.879,439 1.517,440 0.628,441 1.75,442 0.845,443 3.173,444 1.543,445 0.58,446 0.653,448 1.122,449 0.547,450 1.694,451 0.716,452 2.815,453 1.401,454 0.503,455 0.585,457 0.87,458 0.447,459 16.514,460 0.472,461 0.873,462 0.025,463 45.25,464 1.293,465 23,466 0.657,467 22.25,468 0.636,469 31.813,470 0.909,471 38.686,472 0.614,473 38.779,474 1.108,475 9.213,476 0.263,477 7.586,478 0.217,479 0.203,481 0.327,485 0.804,486 1.277,487 0.686,488 1.077,489 0.817,490 0.963,491 0.876,492 1,493 0.694,494 0.87,495 0.549,496 0.835,497 1.26,498 1.151,499 0.99,500 0.906,501 1.104,502 0.922,503 0.896,504 1.365,505 1.03,506 1.196,507 0.853,508 1.162,509 0.902,510 1.178,511 0.879,512 0.97,513 0.967,514 1.024,515 0.766,516 0.997,517 0.834,518 0.901,519 0.72,520 0.934,521 0.907,522 0.936,523 1.168,524 1.045,525 0.869,526 0.984,527 1.14,528 0.747,529 1.354,530 0.966,531 0.905,532 0.911,533 8,534 0.355,535 3.556,536 2.563,537 1.96,538 1.194,539 0.892,540 0.62,541 0.534,542 0.349,543 17179,544 53514,545 1.978,546 44.4,547 3,548 16,551 4,552 5,555 1.772,556 1.826,557 3.655,558 1.576,564 107.517,565 1.707,566 3.996,567 5.121,568 5.433,569 5.433,570 5.433,571 3.037,572 4.901,573 5.1,574 3.847,575 2289.15,576 8.981,577 37037.3,582 376.569,583 1.495,584 5.043,585 0.216,586 0.009,587 0.071,588 0.048,589 0.038,590 0.024,591 0.018,592 0.013,593 0.011,594 0.008,595 0.457,597 0.63,598 1.354,599 190.481,600 -0.018,601 -0.009,602 0.023,603 -0.036,604 -0.113,606 0.106,607 0.106,608 0.131,609 0.131,610 0.184,611 0.132,612 -0.195,613 -0.051,614 -0.057,615 0.068,616 -0.166,617 0.018,618 -0.055,619 -0.248,620 -0.131,621 -0.218,622 -0.042,623 -0.204,624 -0.078,625 -0.104,626 -0.059,627 -0.056,628 -0.125,629 -0.081,630 0.04,631 0.01,632 0.094,633 0.056,634 0.024,635 0.049,636 0.095,637 0.021,638 0.071,639 -0.011,640 0.078,641 0.025,642 -0.012,643 0.208,644 -0.008,645 0.094,646 0.009,647 0.097,648 2.03,649 4.197,650 0.514,651 39.799,652 1.012,653 1.137,654 3.621,655 13.113,656 0.661,657 3.638,658 3.932,659 4.143,660 4.369,661 4.575,662 4.635,663 4.691,664 4.754,665 4.804,666 4.828,667 7.918,668 0.634,669 498.04,670 3.638,671 5.165,672 5.989,673 6.851,674 7.696,675 8.565,676 9.419,677 10.292,678 11.152,679 12.029,680 11.1,684 2,687 1,690 2,692 2,695 7,696 2,700 9,702 18,711 2,716 1,717 1,718 63,719 20,720 2,721 37,723 65,724 24,725 16,726 5,727 7,729 3,730 3,731 1,734 2,739 1,741 17,742 7,744 2,748 1,750 2,751 1,757 28,758 10,759 4,760 11,761 1,764 7,769 1,770 3,776 1,781 3,793 1,802 3,806 3,807 1,810 35,811 2,816 4,818 2,821 1,828 1,829 4.8,832 1,834 2,836 19.167,837 12.143,838 7.944,839 3.607,840 3.746,841 1.495,842 0.949,843 9.518,844 11.312,845 3.892,846 4.46,847 4.982,848 5.529,849 6.067,850 6.296,851 6.61,852 6.948,853 7.289,854 7.572,855 0.889,856 53,857 12.842,859 5.232,860 7.865,861 24.04,863 18.563,865 2.365,866 82.778,870 282.506,871 141.438,872 135.571,873 39.149,874 47.145,877 141.438,878 368.8,879 135.571,880 28.533,881 14.34,882 132.128,883 65.907,884 45.814,885 37.431,886 282.506,887 39.149,888 282.506,889 277.009,890 47.145,891 39.149,893 282.506,894 47.145,897 36.646,898 173.588,899 105.923,901 282.506,902 182.715,903 180.587,906 282.506,907 46.571,908 97.869,910 218.862,911 282.506,912 182.715,913 180.587,915 0.572,916 0.325,917 0.171,918 0.094,919 20,920 11,921 0.169,922 11,924 1,925 4.453,926 313.2,928 18,929 175.525,933 26.513,934 12.565,935 7.444,937 182.715,938 12.888,939 8.394,943 5.141,945 65.794,946 645.809,947 48,951 11.197,953 8.742,954 -0.364,956 63.738,957 71.628,958 0.286,959 0.669,960 0.857,961 0.909,962 0.909,963 0.909,964 5.115,965 1.984,966 5.969,967 5.702,968 4.615,969 5.147,970 2.594,971 6.742,972 4.511,973 6.317,974 1.732,975 7.508,976 5.144,977 4.205,978 4.945,979 2.243,980 7.594,981 4.04,982 7.613,983 1.532,984 9.144,985 4.931,986 6.176,987 7.302,988 3.872,989 10.658,990 5.989,991 8.943,992 1.085,993 10.836,994 3.954,995 6.538,996 7.869,997 4.269,998 12.353,999 6.299,1000 10.3,1001 1,1002 12.566,1003 2.32,1004 7.996,1005 9.732,1006 5.49,1007 14.964,1008 7.741,1009 11.678,1010 0.681,1011 14.324,1012 2.275,1013 8.733,1014 10.684,1015 6.158,1016 17.052,1017 8.438,1018 13.074,1019 0.58,1020 16.104,1021 1.517,1022 9.982,1023 12.329,1024 7.209,1025 19.512,1026 9.672,1027 3.171,1028 0.503,1029 17.904,1030 1.122,1031 10.913,1032 13.493,1033 7.992,1034 21.778,1035 10.572,1036 2.803,1037 11.076,1038 19.719,1039 0.87,1040 12.077,1041 15.028,1042 8.963,1043 24.191,1044 11.721,1045 2.704,1046 8.678,1047 21.548,1048 4.257,1049 13.107,1050 16.31,1051 9.802,1052 26.535,1053 12.727,1054 2.44,1055 7.765,1056 23.39,1057 3.815,1058 14.241,1059 17.79,1060 10.734,1061 28.935,1062 13.845,1063 2.258,1064 6.842,1065 25.241,1066 3.64,1067 15.322,1068 19.138,1069 11.599,1070 31.311,1071 14.904,1072 2.212,1073 6.614,1074 27.102,1075 3.014,1076 16.449,1077 20.591,1078 12.512,1079 33.71,1080 16.015,1081 2.01,1082 5.802,1083 28.97,1084 2.84,1085 17.556,1086 21.976,1087 13.391,1088 36.101,1089 17.103,1090 17056,1091 30279,1092 23.868,1093 41.637,1094 54.421,1095 55.386,1096 56.452,1097 53.797,1098 53.667,1099 69.402,1100 8.492,1101 149.757,1102 50.682,1103 5.443,1104 5.627,1105 6.328,1106 5.216,1107 5.171,1108 7.257,1109 4.174,1110 17.964,1111 5.094,1112 21.726,1113 1.471,1114 1.497,1115 1.526,1116 1.454,1117 1.45,1118 1.876,1119 0.23,1120 4.047,1121 1.37,1122 4.021,1123 4.056,1124 4.057,1125 3.94,1126 7.434,1127 3.944,1128 3.925,1129 3.955,1130 3.866,1131 3.849,1132 5.287,1133 3.848,1134 3.767,1135 3.815,1136 3.824,1137 3.629,1138 5.041,1139 3.643,1140 3.657,1141 3.697,1142 3.569,1143 3.413,1144 4.976,1145 3.439,1146 3.468,1147 3.518,1148 3.389,1149 3.216,1150 4.863,1151 3.24,1152 3.392,1153 3.485,1154 3.287,1155 3.193,1156 4.715,1157 3.184,1158 3.259,1159 3.324,1160 3.204,1161 3.019,1162 4.465,1163 3.022,1164 3.134,1165 3.23,1166 3.09,1167 2.904,1168 4.43,1169 2.925,1170 0.123,1171 0.098,1172 0.183,1173 0.112,1174 0.086,1175 4.535,1176 0.115,1177 3.627,1178 0.066,1179 6.77,1180 0.299,1181 4.146,1182 0.084,1183 3.171,1184 4.257,1185 2.443,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.029,1191 2.065,1192 1.192,1193 2.055,1194 1.906,1195 1.881,1196 2.017,1197 2.014,1198 1.182,1199 2.016,1200 1.707,1201 1.664,1202 1.852,1203 1.878,1204 1.015,1205 1.866,1206 1.565,1207 1.515,1208 1.792,1209 1.817,1210 1.002,1211 1.809,1212 1.387,1213 1.327,1214 1.664,1215 1.659,1216 0.696,1217 1.658,1218 1.377,1219 1.296,1220 1.614,1221 1.632,1222 0.641,1223 1.646,1224 1.219,1225 1.151,1226 1.577,1227 1.512,1228 0.596,1229 1.534,1230 1.062,1231 0.974,1232 1.383,1233 1.378,1234 0.54,1235 1.365,1236 4.317,1238 5.617,1240 7.102,1242 8.68,1244 10.309,1246 4.93,1247 6.407,1250 11.904,1252 1.56,1254 10.292,1257 1.686,1262 39.916,1263 107.517,1264 251.779,1265 322.652,1266 342.304,1267 342.304,1268 342.304,1269 78.589,1270 7.566,1271 141.31,1272 141.31,1273 18,1274 12.571,1275 4.392,1276 3.585,1277 70.242,1278 166,1279 179,1280 0.201,1281 254.487,1282 443.52,1283 612.708,1284 20363,1285 1.6,1286 25.372,1287 0.725,1288 0.589,1289 25.872,1290 20.619,1291 16.799,1292 0.454,1293 0.306,1294 10.786,1295 15.699,1296 10.421,1297 8.702,1298 17.088,1299 11.328,1300 14.909,1301 0.298,1302 0.16,1303 15.28,1304 7.981,1305 11.702,1306 0.189,1307 0.087,1308 12.082,1309 5.376,1310 9.51,1311 0.122,1312 0.045,1313 9.745,1314 3.52,1315 7.454,1316 0.078,1317 0.024,1318 7.697,1319 2.331,1320 0.319,1321 109.486,1322 0.205,1323 32.33,1324 0.545,1325 174,1326 576.26,1327 210.227,1328 581.848,1329 777.43,1330 542,1331 199,1332 548.93,1333 230.086,1334 561.516,1335 807.58,1336 525,1337 5.678}
{0 CHEMBL313553,1 1.643,2 12.784,3 5.466,4 29.876,5 150.787,6 7.97,7 0.575,8 4.268,9 4.394,10 3.883,11 3.809,12 5.442,13 3.792,14 4.762,15 4.934,16 4.24,17 4.177,18 5.922,19 4.137,20 4.994,21 5.189,22 4.345,23 4.321,24 6.086,25 4.268,26 5.033,27 5.23,28 4.328,29 4.337,30 6.143,31 4.269,32 5.146,33 5.376,34 4.299,35 4.344,36 6.208,37 4.268,38 5.178,39 5.432,40 4.336,41 4.353,42 6.206,43 4.259,44 5.144,45 5.38,46 4.389,47 4.332,48 6.246,49 4.238,50 5.043,51 5.26,52 4.33,53 4.292,54 6.132,55 4.206,56 0.114,57 0.986,58 12.145,59 5.487,60 15.84,61 7.082,62 0.39,63 1.497,64 23.288,65 9.322,66 40.331,67 12.34,68 0.531,69 1.797,70 33.09,71 10.726,72 56.068,73 14.452,74 0.433,75 1.92,76 33.502,77 11.334,78 56.709,79 15.723,80 0.618,81 2.082,82 37.943,83 11.638,84 70.369,85 16.757,86 0.569,87 2.05,88 42.191,89 13.232,90 72.353,91 19.065,92 0.729,93 1.845,94 47.005,95 13.476,96 89.711,97 18.555,98 0.657,99 1.657,100 43.661,101 12.949,102 66.368,103 16.897,104 44,105 55,106 0.259,107 0.62,108 0.783,109 0.864,110 0.887,111 0.896,112 3.642,113 0.916,114 -6.04,115 -5.89,116 -5.48,119 41.5,120 2,121 1,125 3,139 10,140 5,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 16,169 3,170 7,172 3,173 3,175 1,178 20,180 1,181 1,182 10,187 1,189 18,191 1,192 1,193 17,195 1,196 1,197 1,198 5,200 2,201 10,204 5,205 1,206 2,207 18,212 4,215 6,218 4,220 3,221 13,223 1,224 1,226 2,229 2,231 2,233 3,234 14,236 1,237 1,239 2,241 7,243 2,245 2,246 11,248 2,249 2,254 14,260 8,262 1,263 1,265 1,268 20,270 1,273 2740,274 24.869,275 24.869,276 24.869,277 24.869,278 24.869,279 21.703,280 26.14,281 14.748,282 25.381,283 19.691,284 19.691,285 19.691,286 19.691,287 19.691,288 14.901,289 31.51,290 6.918,291 20.557,292 4.379,293 2.088,294 1.05,295 0.539,296 0.392,297 0.331,298 4.335,299 1,303 1006,304 4.243,307 478.593,311 184.311,314 1.771,315 35.736,318 0.5,319 0.33,320 0.67,321 0.7,322 0.5,323 0.83,324 1,325 0.65,326 79.833,327 473,328 4.535,329 3.627,330 6.77,331 4.146,332 3.171,333 4.431,334 2.443,335 11.076,336 3.094,337 4.497,338 3.279,339 6.515,340 4.041,341 3.045,342 4.257,343 0.657,344 10.241,345 3.035,346 4.184,347 3.162,348 6.048,349 3.727,350 2.795,351 3.815,352 0.286,353 8.676,354 2.587,355 3.682,356 3.106,357 5.456,358 3.433,359 2.482,360 3.019,362 7.234,363 2.357,364 3.605,365 2.694,366 5.303,367 3.186,368 2.257,369 2.948,371 6.616,372 2.109,373 3.541,374 2.385,375 5.038,376 3.172,377 2.206,378 2.715,380 5.816,381 2.079,382 3.353,383 2.226,384 5.035,385 2.96,386 1.986,387 2.559,389 5.702,390 1.938,391 3.299,392 2.136,393 4.756,394 2.931,395 1.969,396 2.541,398 5.147,399 1.875,400 3.118,401 1.974,402 4.648,403 2.68,404 1.732,405 2.427,407 4.931,408 1.634,409 3.104,410 1.843,411 4.238,412 2.618,413 1.618,414 2.315,415 3.965,416 1.618,417 2.914,418 1.719,419 4.14,420 2.458,421 1.534,422 2.032,423 3.766,424 1.365,425 2.767,426 1.618,427 3.594,428 2.271,429 1.272,430 1.899,431 2.833,432 1.271,433 2.405,434 1.276,435 3.366,436 2.058,437 1.097,438 1.307,439 2.356,440 1.043,441 2.352,442 1.007,443 3.337,444 1.905,445 0.908,446 1.256,448 2.116,449 0.905,450 1.992,451 0.842,452 3.326,453 1.562,454 0.61,455 0.797,457 1.374,458 0.562,459 17.681,460 0.478,461 0.907,462 0.025,463 49.75,464 1.345,465 26.5,466 0.716,467 23.25,468 0.628,469 33.548,470 0.907,471 39.319,472 0.605,473 42.531,474 1.149,475 9.951,476 0.269,477 7.9,478 0.214,479 0.161,481 0.334,485 0.756,486 1.136,487 0.675,488 0.961,489 0.802,490 0.894,491 0.696,492 0.989,493 0.69,494 0.9,495 0.495,496 0.874,497 1.207,498 1.06,499 0.95,500 0.866,501 1.046,502 0.891,503 0.864,504 1.326,505 1.013,506 1.188,507 0.815,508 1.151,509 1.018,510 1.215,511 0.917,512 1.013,513 0.982,514 1.062,515 0.828,516 1.023,517 0.832,518 0.901,519 0.7,520 0.92,521 1.046,522 0.914,523 1.171,524 1.001,525 0.897,526 0.952,527 1.232,528 0.764,529 1.344,530 0.991,531 0.936,532 0.931,533 7.5,534 0.347,535 4,536 2.875,537 2.053,538 1.278,539 0.852,540 0.582,541 0.584,542 0.416,543 20398,544 58853,545 2.039,546 43.1,547 3,548 16,551 4,552 5,555 1.786,556 1.897,557 3.59,558 1.498,564 106.815,565 1.643,566 3.934,567 4.973,568 5.484,569 5.63,570 5.691,571 2.949,572 4.885,573 5.185,574 3.815,575 2540.51,576 9.15,577 42330.2,582 391.454,583 1.446,584 5.134,585 0.188,586 0.007,587 0.073,588 0.049,589 0.036,590 0.024,591 0.016,592 0.011,593 0.011,594 0.008,595 0.421,597 0.75,598 1.216,599 203.654,600 0.003,601 0.067,602 0.021,603 0.024,604 -0.112,605 0.031,606 0.194,607 0.109,608 0.108,609 0.085,610 0.193,611 0.08,612 -0.15,613 0.01,614 -0.029,615 0.097,616 -0.142,617 0.048,618 -0.01,619 -0.236,620 -0.122,621 -0.227,622 -0.018,623 -0.205,624 -0.085,625 -0.144,626 -0.093,627 -0.105,628 -0.132,629 -0.134,630 0.031,631 -0.019,632 0.106,633 0.045,634 0.042,635 0.056,636 0.068,637 0.043,638 0.063,639 0.009,640 0.065,641 0.041,642 -0.016,643 0.185,644 -0.018,645 0.056,646 -0.016,647 0.07,648 2.021,649 4.315,650 0.595,651 39.515,652 1.006,653 1.13,654 4.815,655 23.181,656 0.68,657 3.714,658 4.025,659 4.277,660 4.543,661 4.762,662 4.82,663 4.898,664 4.984,665 5.081,666 5.075,667 7.899,668 0.649,669 518.07,670 3.714,671 5.252,672 6.094,673 6.969,674 7.829,675 8.711,676 9.579,677 10.463,678 11.336,679 12.222,680 10.8,684 2,687 1,690 2,692 2,694 2,695 10,696 2,700 8,702 23,711 2,717 1,718 65,719 25,720 3,721 40,723 68,724 27,725 20,726 6,727 10,729 4,730 5,731 1,734 2,739 1,741 21,742 6,744 2,748 1,750 2,751 1,757 28,758 9,759 4,760 10,761 1,764 7,769 0.75,770 2,776 1,781 4,785 1,793 1,802 3,806 2,807 1,810 37,811 2,816 4,818 1,821 1,828 1,829 3.1,832 1,834 1,836 19.5,837 12.226,838 8.25,839 3.857,840 5.021,841 1.625,842 0.983,843 8.671,844 13.05,845 3.998,846 4.61,847 5.198,848 5.801,849 6.365,850 6.636,851 7,852 7.362,853 7.734,854 7.858,855 1,856 59,857 13.602,859 5.663,860 7.796,861 25.694,863 20.471,865 2.296,866 84.944,870 282.506,871 158.886,872 135.571,873 39.149,874 36.145,877 158.886,878 357.8,879 135.571,880 17.65,881 14.34,882 160.557,883 65.907,884 34.717,885 37.431,886 282.506,887 39.149,888 282.506,889 294.457,890 36.145,891 39.149,893 282.506,894 36.145,897 36.646,898 191.036,899 105.923,901 282.506,902 171.716,903 198.035,906 282.506,907 46.473,908 115.415,910 207.862,911 282.506,912 171.716,913 198.035,915 0.576,916 0.331,917 0.183,918 0.101,919 24,920 12,921 0.147,922 10,923 1,924 1.091,925 4.609,926 352.795,927 0.091,928 22,929 190.75,933 26.49,934 12.111,935 6.604,936 2.242,937 171.716,938 19.591,939 8.437,943 4.532,945 65.794,946 652.257,947 53.5,951 11.315,953 8.909,954 -0.354,956 65.411,957 73.418,958 0.273,959 0.653,960 0.826,961 0.911,962 0.935,963 0.945,964 5.224,965 1.969,966 6.075,967 5.702,968 4.71,969 5.298,970 2.477,971 6.876,972 4.63,973 6.439,974 1.732,975 7.628,976 5.147,977 4.29,978 5.121,979 2.243,980 7.776,981 4.16,982 7.746,983 1.618,984 9.281,985 4.931,986 6.29,987 7.526,988 3.849,989 10.879,990 6.149,991 9.09,992 1.534,993 10.995,994 3.965,995 6.673,996 8.171,997 4.269,998 12.632,999 6.495,1000 10.464,1001 1.272,1002 12.749,1003 3.766,1004 8.15,1005 10.06,1006 5.487,1007 15.26,1008 7.964,1009 11.863,1010 1.097,1011 14.532,1012 2.833,1013 8.921,1014 11.117,1015 6.158,1016 17.376,1017 8.712,1018 13.28,1019 0.908,1020 16.337,1021 2.356,1022 10.185,1023 12.779,1024 7.208,1025 19.84,1026 9.966,1027 3.171,1028 0.61,1029 18.159,1030 2.116,1031 11.146,1032 14.044,1033 7.992,1034 22.109,1035 10.911,1036 3.045,1037 11.076,1038 19.994,1039 1.374,1040 12.323,1041 15.601,1042 8.963,1043 24.516,1044 12.078,1045 2.795,1046 10.241,1047 21.84,1048 4.431,1049 13.373,1050 16.969,1051 9.802,1052 26.849,1053 13.115,1054 2.482,1055 8.676,1056 23.696,1057 4.257,1058 14.517,1059 18.477,1060 10.734,1061 29.238,1062 14.248,1063 2.257,1064 7.234,1065 25.558,1066 3.815,1067 15.61,1068 19.897,1069 11.599,1070 31.6,1071 15.328,1072 2.206,1073 6.616,1074 27.426,1075 3.019,1076 16.744,1077 21.383,1078 12.512,1079 33.984,1080 16.449,1081 1.986,1082 5.816,1083 29.3,1084 2.948,1085 17.857,1086 22.829,1087 13.391,1088 36.359,1089 17.55,1090 19671,1091 33605,1092 26.353,1093 44.182,1094 59.499,1095 60.364,1096 61.283,1097 58.881,1098 58.73,1099 78.246,1100 6.772,1101 166.436,1102 56.235,1103 5.445,1104 5.627,1105 6.459,1106 5.216,1107 5.171,1108 7.431,1109 4.174,1110 17.964,1111 5.094,1112 20.659,1113 1.487,1114 1.509,1115 1.532,1116 1.472,1117 1.468,1118 1.956,1119 0.169,1120 4.161,1121 1.406,1122 4.099,1123 4.124,1124 4.074,1125 4.056,1126 7.434,1127 4.052,1128 4.004,1129 4.035,1130 4.024,1131 3.931,1132 5.288,1133 3.934,1134 3.771,1135 3.823,1136 3.824,1137 3.629,1138 5.043,1139 3.644,1140 3.674,1141 3.721,1142 3.59,1143 3.465,1144 4.976,1145 3.476,1146 3.518,1147 3.556,1148 3.43,1149 3.369,1150 4.891,1151 3.375,1152 3.412,1153 3.485,1154 3.319,1155 3.209,1156 4.713,1157 3.225,1158 3.392,1159 3.467,1160 3.282,1161 3.192,1162 4.465,1163 3.184,1164 3.158,1165 3.238,1166 3.204,1167 3.024,1168 4.429,1169 3.009,1170 0.113,1171 0.091,1172 0.169,1173 0.104,1174 0.079,1175 4.535,1176 0.111,1177 3.627,1178 0.061,1179 6.77,1180 0.277,1181 4.146,1182 0.077,1183 3.171,1184 4.431,1185 2.443,1186 11.076,1187 3.094,1188 2.081,1189 2.062,1190 2.165,1191 2.137,1192 1.331,1193 2.148,1194 1.957,1195 1.934,1196 2.023,1197 2.062,1198 1.189,1199 2.052,1200 1.708,1201 1.665,1202 1.854,1203 1.894,1204 1.061,1205 1.876,1206 1.597,1207 1.544,1208 1.811,1209 1.825,1210 1.003,1211 1.822,1212 1.486,1213 1.449,1214 1.696,1215 1.682,1216 0.79,1217 1.68,1218 1.383,1219 1.312,1220 1.642,1221 1.633,1222 0.688,1223 1.652,1224 1.369,1225 1.295,1226 1.614,1227 1.574,1228 0.598,1229 1.598,1230 1.168,1231 1.107,1232 1.439,1233 1.384,1234 0.591,1235 1.399,1236 4.394,1238 5.707,1240 7.215,1242 8.82,1244 10.478,1246 3.342,1247 6.466,1250 11.963,1252 1.608,1254 5.152,1257 1.742,1262 42.202,1263 106.815,1264 255.712,1265 323.215,1266 356.434,1267 365.944,1268 369.944,1269 72.961,1270 8.029,1271 132.08,1272 132.08,1273 24,1274 12.756,1275 4.7,1276 3.858,1277 64.524,1278 176,1279 159,1280 0.174,1281 266.019,1282 458.09,1283 640.847,1284 38034,1285 1.5,1286 26.363,1287 0.713,1288 0.58,1289 26.863,1290 21.443,1291 17.851,1292 0.446,1293 0.305,1294 11.716,1295 16.907,1296 11.363,1297 9.448,1298 18.139,1299 12.215,1300 16.013,1301 0.291,1302 0.159,1303 16.384,1304 8.772,1305 12.851,1306 0.181,1307 0.086,1308 13.231,1309 6.085,1310 10.956,1311 0.118,1312 0.045,1313 11.19,1314 4.205,1315 8.783,1316 0.076,1317 0.025,1318 9.025,1319 2.848,1320 0.274,1321 114.679,1322 0.195,1323 33.608,1324 0.474,1325 190,1326 570.524,1327 223.349,1328 587.739,1329 796.44,1330 548,1331 221,1332 573.385,1333 249.428,1334 588.649,1335 853.02,1336 554,1337 6.553}
{0 CHEMBL313680,1 1.643,2 13.378,3 5.466,4 29.876,5 150.787,6 7.97,7 0.575,8 4.268,9 4.394,10 3.883,11 3.809,12 5.441,13 3.792,14 4.762,15 4.934,16 4.24,17 4.177,18 5.923,19 4.137,20 4.994,21 5.189,22 4.334,23 4.315,24 6.09,25 4.261,26 5.031,27 5.237,28 4.298,29 4.314,30 6.134,31 4.243,32 5.11,33 5.341,34 4.262,35 4.308,36 6.174,37 4.231,38 5.137,39 5.388,40 4.305,41 4.32,42 6.169,43 4.225,44 5.12,45 5.358,46 4.371,47 4.304,48 6.217,49 4.211,50 5.011,51 5.225,52 4.316,53 4.27,54 6.119,55 4.185,56 0.114,57 0.986,58 12.145,59 5.487,60 15.804,61 7.082,62 0.39,63 1.497,64 23.288,65 9.322,66 40.144,67 12.34,68 0.528,69 1.795,70 33.031,71 10.726,72 56.391,73 14.451,74 0.453,75 1.894,76 34.129,77 11.307,78 58.65,79 15.78,80 0.614,81 2,82 36.825,83 11.22,84 69.996,85 16.14,86 0.535,87 1.969,88 40.319,89 12.811,90 69.864,91 18.373,92 0.732,93 1.795,94 46.391,95 13.156,96 87.365,97 18.131,98 0.62,99 1.635,100 42.012,101 12.377,102 63.508,103 16.218,104 44,105 55,106 0.259,107 0.62,108 0.785,109 0.87,110 0.882,111 0.892,112 3.642,113 0.916,114 -6.04,115 -5.89,116 -5.48,119 41.5,120 2,121 1,125 3,139 10,140 5,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 16,169 3,170 7,172 3,173 3,175 1,178 20,180 1,181 1,182 10,187 1,189 18,191 1,192 1,193 16,195 1,196 1,197 1,198 5,200 2,201 10,204 5,205 1,206 2,207 16,212 4,215 6,218 4,220 3,221 12,223 1,224 1,226 2,229 2,231 2,233 3,234 14,236 1,237 1,239 2,241 7,243 2,245 2,246 12,248 2,249 2,254 13,260 9,262 1,263 1,265 1,268 15,270 1,273 2808,274 24.817,275 24.817,276 24.817,277 24.817,278 24.817,279 21.67,280 26.14,281 14.7,282 25.328,283 19.697,284 19.697,285 19.697,286 19.697,287 19.697,288 14.917,289 31.51,290 6.929,291 20.564,292 4.379,293 2.088,294 1.038,295 0.496,296 0.423,297 0.362,298 4.335,299 1,303 1055,304 4.243,307 495.013,311 193.955,314 1.828,315 35.719,318 0.5,319 0.33,320 0.67,321 0.7,322 0.5,323 0.83,324 1,325 0.65,326 79.833,327 495,328 4.535,329 3.627,330 6.77,331 4.146,332 3.171,333 4.336,334 2.443,335 11.076,336 3.094,337 4.408,338 3.278,339 6.186,340 3.931,341 2.934,342 4.257,343 0.657,344 9.242,345 2.927,346 4.184,347 3.114,348 6.048,349 3.729,350 2.796,351 3.815,352 0.286,353 8.677,354 2.592,355 3.759,356 3.028,357 5.532,358 3.505,359 2.547,360 3.102,362 7.523,363 2.436,364 3.621,365 2.761,366 5.303,367 3.192,368 2.259,369 3.006,371 6.619,372 2.125,373 3.551,374 2.385,375 5.038,376 3.186,377 2.224,378 2.716,380 5.946,381 2.09,382 3.378,383 2.258,384 4.996,385 3.026,386 2.046,387 2.56,389 5.702,390 1.985,391 3.3,392 2.226,393 4.756,394 2.932,395 1.985,396 2.542,398 5.146,399 1.876,400 3.118,401 1.975,402 4.647,403 2.68,404 1.732,405 2.427,407 4.931,408 1.634,409 3.104,410 1.844,411 4.41,412 2.618,413 1.618,414 2.316,415 4.36,416 1.618,417 2.928,418 1.72,419 4.232,420 2.46,421 1.534,422 2.096,423 3.954,424 1.404,425 2.87,426 1.618,427 3.617,428 2.4,429 1.402,430 2.003,431 3.005,432 1.362,433 2.391,434 1.414,435 3.341,436 2.042,437 1.082,438 1.256,439 2.318,440 1.026,441 2.199,442 0.847,443 3.327,444 1.72,445 0.724,446 1.058,448 1.681,449 0.72,450 2.002,451 0.755,452 3.22,453 1.565,454 0.61,455 0.809,457 1.389,458 0.566,459 17.681,460 0.478,461 0.924,462 0.025,463 49.75,464 1.345,465 26.5,466 0.716,467 23.25,468 0.628,469 33.28,470 0.899,471 39.319,472 0.605,473 42.233,474 1.141,475 9.935,476 0.269,477 7.899,478 0.213,479 0.161,481 0.334,485 0.756,486 1.136,487 0.675,488 0.961,489 0.803,490 0.894,491 0.696,492 0.989,493 0.69,494 0.9,495 0.491,496 0.874,497 1.209,498 1.084,499 0.969,500 0.896,501 1.054,502 0.923,503 0.869,504 1.283,505 1.008,506 1.156,507 0.817,508 1.126,509 1.033,510 1.177,511 0.918,512 0.988,513 1.013,514 1.043,515 0.822,516 1.043,517 0.845,518 0.93,519 0.715,520 0.945,521 1.058,522 0.912,523 1.168,524 0.976,525 0.892,526 0.927,527 1.195,528 0.835,529 1.382,530 1.039,531 0.927,532 0.973,533 8,534 0.38,535 3.778,536 2.75,537 2.093,538 1.215,539 0.953,540 0.592,541 0.526,542 0.401,543 20978,544 60281,545 2.039,546 43.1,547 3,548 16,551 4,552 5,555 1.785,556 1.897,557 3.671,558 1.498,564 106.815,565 1.643,566 3.934,567 4.984,568 5.526,569 5.599,570 5.661,571 3.025,572 4.939,573 5.183,574 3.871,575 2578.38,576 9.144,577 43288.5,582 391.454,583 1.446,584 5.134,585 0.2,586 0.008,587 0.069,588 0.047,589 0.038,590 0.023,591 0.018,592 0.011,593 0.01,594 0.008,595 0.433,597 0.75,598 1.216,599 204.473,600 0.003,601 0.067,602 0.021,603 0.024,604 -0.113,605 0.031,606 0.194,607 0.109,608 0.108,609 0.085,610 0.197,611 0.08,612 -0.153,613 -0.014,614 -0.047,615 0.067,616 -0.148,617 0.016,618 -0.008,619 -0.207,620 -0.104,621 -0.198,622 -0.012,623 -0.176,624 -0.088,625 -0.109,626 -0.088,627 -0.08,628 -0.139,629 -0.115,630 0.038,631 -0.039,632 0.096,633 0.02,634 0.036,635 0.032,636 0.071,637 0.039,638 0.083,639 0.035,640 0.076,641 0.067,642 -0.013,643 0.134,644 -0.047,645 0.004,646 -0.004,647 0.021,648 2.02,649 4.287,650 0.595,651 41.619,652 1.006,653 1.13,654 4.815,655 23.181,656 0.68,657 3.714,658 4.025,659 4.263,660 4.522,661 4.745,662 4.804,663 4.89,664 4.984,665 5.063,666 5.063,667 8.111,668 0.649,669 518.07,670 3.714,671 5.252,672 6.089,673 6.961,674 7.816,675 8.694,676 9.557,677 10.438,678 11.306,679 12.188,680 10.8,684 2,687 1,690 2,692 2,694 2,695 10,696 2,700 8,702 23,711 2,717 1,718 65,719 25,720 3,721 40,723 68,724 27,725 20,726 6,727 10,729 4,730 5,731 1,734 2,739 1,741 21,742 6,744 2,748 1,750 2,751 1,757 28,758 9,759 4,760 10,761 1,764 7,769 0.75,770 2,776 1,781 4,785 1,793 1,802 3,806 2,807 1,810 37,811 2,816 4,818 1,821 1,828 1,829 3.1,832 1,834 1,836 19.5,837 12.226,838 8.222,839 3.85,840 4.983,841 1.621,842 0.983,843 8.671,844 13.012,845 3.998,846 4.61,847 5.186,848 5.784,849 6.36,850 6.635,851 7,852 7.376,853 7.733,854 7.844,855 0.889,856 58,857 13.6,859 5.661,860 7.796,861 25.694,863 20.466,865 2.296,866 84.944,870 282.506,871 158.886,872 135.571,873 39.149,874 36.145,877 158.886,878 357.8,879 135.571,880 17.65,881 14.34,882 160.557,883 65.907,884 34.717,885 37.431,886 282.506,887 39.149,888 282.506,889 294.457,890 36.145,891 39.149,893 282.506,894 36.145,897 36.646,898 191.036,899 105.923,901 282.506,902 171.716,903 198.035,906 282.506,907 46.473,908 115.415,910 207.862,911 282.506,912 171.716,913 198.035,915 0.577,916 0.328,917 0.179,918 0.099,919 24,920 12,921 0.147,922 10,923 1,924 1.091,925 4.656,926 349.183,927 0.091,928 22,929 192.75,933 26.49,934 12.111,935 6.804,936 2.281,937 171.716,938 19.698,939 8.43,943 4.508,945 65.794,946 652.257,947 53.5,951 11.287,953 8.864,954 -0.353,956 65.411,957 73.418,958 0.273,959 0.653,960 0.828,961 0.918,962 0.93,963 0.94,964 5.224,965 1.985,966 6.071,967 5.702,968 4.71,969 5.298,970 2.477,971 6.86,972 4.63,973 6.439,974 1.732,975 7.616,976 5.146,977 4.29,978 5.121,979 2.243,980 7.722,981 4.16,982 7.744,983 1.618,984 9.259,985 4.931,986 6.282,987 7.519,988 3.849,989 10.809,990 6.14,991 9.084,992 1.534,993 10.96,994 4.36,995 6.648,996 8.142,997 4.269,998 12.513,999 6.465,1000 10.453,1001 1.402,1002 12.699,1003 3.954,1004 8.122,1005 10.031,1006 5.487,1007 15.128,1008 7.93,1009 11.845,1010 1.082,1011 14.467,1012 3.005,1013 8.87,1014 11.058,1015 6.158,1016 17.21,1017 8.648,1018 13.254,1019 0.724,1020 16.255,1021 2.318,1022 10.13,1023 12.719,1024 7.208,1025 19.663,1026 9.898,1027 3.171,1028 0.61,1029 18.061,1030 1.681,1031 11.069,1032 13.955,1033 7.992,1034 21.915,1035 10.815,1036 2.934,1037 11.076,1038 19.881,1039 1.389,1040 12.24,1041 15.507,1042 8.963,1043 24.315,1044 11.973,1045 2.796,1046 9.242,1047 21.713,1048 4.336,1049 13.274,1050 16.85,1051 9.802,1052 26.642,1053 12.988,1054 2.547,1055 8.677,1056 23.554,1057 4.257,1058 14.411,1059 18.35,1060 10.734,1061 29.03,1062 14.111,1063 2.259,1064 7.523,1065 25.405,1066 3.815,1067 15.492,1068 19.747,1069 11.599,1070 31.393,1071 15.173,1072 2.224,1073 6.619,1074 27.262,1075 3.102,1076 16.618,1077 21.222,1078 12.512,1079 33.78,1080 16.284,1081 2.046,1082 5.946,1083 29.126,1084 3.006,1085 17.722,1086 22.647,1087 13.391,1088 36.161,1089 17.37,1090 20172,1091 34390,1092 26.353,1093 44.182,1094 59.5,1095 60.301,1096 61.068,1097 58.859,1098 58.706,1099 78.215,1100 6.772,1101 165.895,1102 56.212,1103 5.443,1104 5.627,1105 6.457,1106 5.216,1107 5.171,1108 7.336,1109 4.174,1110 17.964,1111 5.094,1112 20.707,1113 1.487,1114 1.508,1115 1.527,1116 1.471,1117 1.468,1118 1.955,1119 0.169,1120 4.147,1121 1.405,1122 4.094,1123 4.119,1124 4.07,1125 4.051,1126 7.434,1127 4.046,1128 4.004,1129 4.036,1130 4.02,1131 3.931,1132 5.288,1133 3.934,1134 3.773,1135 3.826,1136 3.824,1137 3.629,1138 5.042,1139 3.644,1140 3.686,1141 3.733,1142 3.605,1143 3.504,1144 4.976,1145 3.511,1146 3.543,1147 3.574,1148 3.456,1149 3.363,1150 4.895,1151 3.379,1152 3.393,1153 3.485,1154 3.305,1155 3.194,1156 4.716,1157 3.192,1158 3.381,1159 3.441,1160 3.267,1161 3.176,1162 4.465,1163 3.182,1164 3.136,1165 3.231,1166 3.204,1167 2.98,1168 4.429,1169 2.965,1170 0.113,1171 0.091,1172 0.169,1173 0.104,1174 0.079,1175 4.535,1176 0.108,1177 3.627,1178 0.061,1179 6.77,1180 0.277,1181 4.146,1182 0.077,1183 3.171,1184 4.336,1185 2.443,1186 11.076,1187 3.094,1188 2.077,1189 2.058,1190 2.164,1191 2.134,1192 1.314,1193 2.145,1194 1.957,1195 1.934,1196 2.023,1197 2.063,1198 1.189,1199 2.052,1200 1.709,1201 1.665,1202 1.855,1203 1.9,1204 1.074,1205 1.882,1206 1.623,1207 1.571,1208 1.822,1209 1.829,1210 1.003,1211 1.827,1212 1.49,1213 1.455,1214 1.708,1215 1.7,1216 0.838,1217 1.697,1218 1.382,1219 1.298,1220 1.629,1221 1.633,1222 0.688,1223 1.652,1224 1.346,1225 1.281,1226 1.614,1227 1.556,1228 0.596,1229 1.581,1230 1.107,1231 1.051,1232 1.365,1233 1.377,1234 0.496,1235 1.36,1236 4.394,1238 5.707,1240 7.21,1242 8.808,1244 10.457,1246 3.34,1247 6.453,1250 11.953,1252 1.619,1254 5.135,1257 1.73,1262 42.202,1263 106.815,1264 255.712,1265 323.97,1266 359.189,1267 363.944,1268 367.944,1269 72.535,1270 8.029,1271 132.08,1272 132.08,1273 24,1274 12.725,1275 4.7,1276 3.858,1277 64.584,1278 180,1279 168,1280 0.169,1281 266.019,1282 458.09,1283 640.847,1284 38156,1285 1.5,1286 26.363,1287 0.713,1288 0.58,1289 26.863,1290 21.443,1291 17.834,1292 0.446,1293 0.305,1294 11.71,1295 16.89,1296 11.353,1297 9.443,1298 18.122,1299 12.209,1300 16.098,1301 0.293,1302 0.16,1303 16.468,1304 8.815,1305 12.807,1306 0.183,1307 0.086,1308 13.187,1309 6.031,1310 10.819,1311 0.119,1312 0.045,1313 11.054,1314 4.126,1315 8.699,1316 0.076,1317 0.025,1318 8.942,1319 2.814,1320 0.268,1321 114.578,1322 0.195,1323 33.779,1324 0.457,1325 190,1326 570.524,1327 223.349,1328 588.031,1329 795.94,1330 548,1331 220,1332 572.385,1333 248.428,1334 588.145,1335 850.79,1336 553,1337 6.208}
{0 CHEMBL314001,1 1.723,2 12.838,3 4.525,4 20.473,5 147.263,6 7.882,7 0.462,8 4.298,9 4.421,10 3.893,11 3.754,12 5.487,13 3.754,14 4.8,15 4.981,16 4.23,17 4.091,18 5.966,19 4.076,20 4.967,21 5.147,22 4.337,23 4.241,24 6.098,25 4.214,26 5.046,27 5.239,28 4.352,29 4.297,30 6.181,31 4.246,32 5.189,33 5.414,34 4.333,35 4.335,36 6.26,37 4.272,38 5.216,39 5.451,40 4.368,41 4.36,42 6.271,43 4.275,44 5.235,45 5.484,46 4.411,47 4.333,48 6.311,49 4.242,50 5.101,51 5.319,52 4.349,53 4.278,54 6.21,55 4.196,56 0.169,57 0.98,58 13.159,59 5.658,60 17.639,61 7.321,62 0.621,63 1.417,64 26.531,65 9.114,66 51.959,67 12.08,68 0.706,69 1.67,70 32.734,71 9.662,72 60.663,73 13.299,74 0.651,75 1.842,76 34.825,77 10.936,78 63.125,79 15.759,80 0.96,81 1.992,82 41.088,83 11.485,84 81.625,85 17.201,86 0.864,87 1.967,88 43.641,89 13.15,90 82.48,91 19.157,92 1.118,93 1.808,94 53.221,95 13.752,96 105.259,97 19.888,98 1.045,99 1.63,100 46.78,101 12.799,102 81.357,103 17.328,104 84,105 53,106 0.273,107 0.629,108 0.807,109 0.849,110 0.849,111 0.849,112 3.642,113 0.912,114 -4.33,115 -4.27,116 -4.03,119 37.3,120 2,121 1,124 2,125 3,139 6,140 3,141 4,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 7,169 3,170 11,172 3,173 3,175 1,178 9,180 1,181 1,182 12,187 1,189 7,191 1,192 2,193 16,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 4,207 13,212 4,215 4,218 4,220 5,221 7,223 1,224 1,226 2,229 2,231 2,233 5,234 8,236 1,237 1,239 2,241 7,243 2,245 4,246 8,248 2,249 2,254 11,260 6,262 1,263 1,265 1,268 6,270 1,273 2798,274 24.643,275 24.643,276 24.643,277 24.643,278 24.643,279 22.067,280 34.767,281 14.516,282 25.512,283 19.064,284 19.064,285 19.064,286 19.064,287 19.064,288 14.945,289 44.591,290 6.683,291 20.302,292 4.343,293 2.093,294 0.963,295 0.702,296 0.702,297 0.702,298 4.321,299 1,303 979,304 4.472,307 419.362,314 1.814,315 42.058,318 0.5,319 0.5,320 0.5,321 0.8,322 1,323 0.33,325 0.52,326 81.833,327 475,328 4.535,329 3.627,330 6.77,331 4.146,332 3.171,333 4.257,334 2.443,335 11.076,336 3.094,337 4.21,338 3.278,339 6.048,340 3.816,341 2.852,342 3.844,343 0.86,344 8.681,345 2.75,346 4.179,347 3.128,348 5.821,349 3.722,350 2.788,351 3.813,352 0.86,353 8.426,354 2.581,355 3.663,356 3.101,357 5.393,358 3.415,359 2.476,360 3.014,361 0.657,362 7.13,363 2.32,364 3.592,365 2.788,366 5.302,367 3.186,368 2.257,369 2.778,370 0.286,371 6.614,372 2.105,373 3.528,374 2.555,375 5.038,376 3.168,377 2.206,378 2.699,380 5.818,381 2.071,382 3.355,383 2.385,384 4.969,385 2.972,386 2.061,387 2.604,389 5.702,390 1.877,391 3.301,392 2.226,393 4.84,394 2.933,395 1.985,396 2.549,398 5.512,399 1.867,400 3.238,401 2.217,402 4.756,403 2.87,404 1.901,405 2.442,407 5.134,408 1.83,409 3.099,410 1.974,411 4.644,412 2.678,413 1.731,414 2.303,415 4.931,416 1.631,417 2.898,418 1.843,419 4.232,420 2.455,421 1.53,422 2.01,423 3.952,424 1.363,425 2.39,426 1.712,427 3.341,428 2.039,429 1.079,430 1.256,431 2.315,432 1.023,433 2.012,434 1.108,435 3.327,436 1.578,437 0.629,438 0.828,439 1.448,440 0.58,441 1.747,442 0.916,443 3.156,444 1.532,445 0.557,446 0.642,448 1.104,449 0.54,450 1.593,451 0.845,452 2.842,453 1.327,454 0.477,455 0.52,457 0.682,458 0.403,459 17.348,460 0.469,461 0.941,462 0.025,463 47.25,464 1.277,465 23.5,466 0.635,467 23.75,468 0.642,469 35.224,470 0.952,471 41.452,472 0.619,473 42.22,474 1.141,475 9.698,476 0.262,477 8.033,478 0.217,479 0.222,481 0.34,485 0.83,486 1.33,487 0.691,488 1.134,489 0.823,490 0.991,491 0.996,492 0.958,493 0.697,494 0.815,495 0.593,496 0.779,497 1.272,498 1.17,499 1.005,500 0.92,501 1.143,502 0.93,503 0.775,504 1.394,505 0.98,506 1.231,507 0.801,508 1.165,509 0.996,510 1.158,511 0.906,512 0.964,513 0.99,514 1.029,515 0.845,516 1.107,517 0.896,518 1.009,519 0.738,520 1.038,521 0.935,522 0.845,523 1.095,524 0.915,525 0.828,526 0.89,527 1.01,528 0.815,529 1.323,530 1.011,531 0.898,532 0.974,533 9,534 0.413,535 3.333,536 3.25,537 2.111,538 1.479,539 0.974,540 0.62,541 0.543,542 0.467,543 19373,544 61320,545 1.964,546 44.8,547 3,548 18,551 4,552 5,555 1.786,556 1.805,557 3.614,558 1.552,564 115.473,565 1.723,566 3.973,567 5.103,568 5.364,569 5.364,570 5.364,571 2.992,572 4.723,573 5.184,574 3.837,575 2555.13,576 9.151,577 42938.7,582 406.428,583 1.52,584 5.118,585 0.231,586 0.008,587 0.063,588 0.057,589 0.037,590 0.027,591 0.018,592 0.012,593 0.011,594 0.009,595 0.472,597 0.63,598 1.388,599 204.15,600 -0.028,601 -0.048,602 0.027,603 -0.07,604 -0.111,605 -0.014,606 0.04,607 0.14,608 0.146,609 0.19,610 0.171,611 0.188,612 -0.217,613 -0.043,614 -0.075,615 0.07,616 -0.198,617 0.014,618 0.034,619 -0.256,620 -0.09,621 -0.232,622 -0.004,623 -0.193,624 -0.076,625 -0.083,626 -0.08,627 -0.04,628 -0.135,629 -0.089,630 0.009,631 -0.078,632 0.017,633 -0.046,634 0.005,635 -0.061,636 0.059,637 0.09,638 0.104,639 0.086,640 0.081,641 0.11,642 0.053,643 0.16,644 -0.036,645 0.039,646 0.004,647 0.03,648 2.05,649 4.274,650 0.486,651 41.125,652 1.014,653 1.138,654 3.102,655 9.623,656 0.655,657 3.689,658 3.989,659 4.205,660 4.454,661 4.654,662 4.727,663 4.779,664 4.812,665 4.883,666 4.934,667 8.009,668 0.629,669 528.07,670 3.689,671 5.22,672 6.047,673 6.917,674 7.764,675 8.64,676 9.497,677 10.376,678 11.238,679 12.119,680 10.4,684 2,687 1,690 2,692 2,695 6,696 2,700 10,702 18,711 2,716 2,717 1,718 67,719 20,720 2,721 39,723 69,724 25,725 16,726 6,727 6,729 3,730 3,731 1,734 2,739 1,741 17,742 8,744 2,748 1,750 2,751 1,757 30,758 11,759 4,760 12,761 1,764 7,769 1,770 4,776 1,781 3,793 1,802 3,806 4,807 1,810 37,811 2,816 4,818 3,821 1,828 1,829 6,832 1,834 3,836 20.5,837 13.226,838 8.444,839 3.76,840 3.821,841 1.496,842 0.94,843 10.319,844 11.521,845 3.932,846 4.505,847 5.032,848 5.598,849 6.12,850 6.372,851 6.673,852 6.975,853 7.326,854 7.618,855 1,856 57,857 13.579,859 5.516,860 7.877,861 25.349,863 19.45,865 2.377,866 87.944,870 306.049,871 148.088,872 135.571,873 39.149,874 58.145,877 148.088,878 403.342,879 135.571,880 39.417,881 14.34,882 122.652,883 65.907,884 62.057,885 37.431,886 306.049,887 39.149,888 306.049,889 283.659,890 58.145,891 39.149,893 306.049,894 58.145,897 36.646,898 180.238,899 105.923,901 306.049,902 193.715,903 187.237,906 306.049,907 51.814,908 99.276,910 229.862,911 306.049,912 193.715,913 187.237,915 0.571,916 0.327,917 0.177,918 0.099,919 21,920 12,921 0.174,922 12,924 1,925 4.533,926 341.432,928 18,929 184.75,933 28.442,934 13.424,935 7.925,937 193.715,938 10.774,939 8.403,943 5.434,945 65.794,946 687.001,947 50,951 11.274,953 8.774,954 -0.384,956 67.949,957 76.252,958 0.284,959 0.655,960 0.841,961 0.884,962 0.884,963 0.884,964 5.162,965 1.985,966 6.033,967 5.702,968 4.673,969 5.193,970 2.699,971 6.817,972 4.559,973 6.368,974 1.901,975 7.578,976 5.512,977 4.29,978 5.037,979 2.243,980 7.673,981 4.122,982 7.67,983 1.731,984 9.217,985 5.134,986 6.244,987 7.358,988 3.895,989 10.743,990 6.045,991 9.004,992 1.53,993 10.911,994 4.931,995 6.621,996 7.958,997 4.269,998 12.421,999 6.373,1000 10.366,1001 1.079,1002 12.641,1003 3.952,1004 8.07,1005 9.798,1006 5.494,1007 15.037,1008 7.802,1009 11.748,1010 0.629,1011 14.397,1012 2.315,1013 8.817,1014 10.776,1015 6.158,1016 17.107,1017 8.511,1018 13.146,1019 0.557,1020 16.175,1021 1.448,1022 10.062,1023 12.406,1024 7.209,1025 19.566,1026 9.739,1027 3.171,1028 0.477,1029 17.971,1030 1.104,1031 10.999,1032 13.587,1033 7.992,1034 21.82,1035 10.647,1036 2.852,1037 11.076,1038 19.783,1039 0.682,1040 12.161,1041 15.113,1042 8.963,1043 24.229,1044 11.792,1045 2.788,1046 8.681,1047 21.608,1048 4.257,1049 13.193,1050 16.405,1051 9.802,1052 26.563,1053 12.8,1054 2.476,1055 8.426,1056 23.445,1057 3.844,1058 14.325,1059 17.879,1060 10.734,1061 28.959,1062 13.915,1063 2.257,1064 7.13,1065 25.293,1066 3.813,1067 15.405,1068 19.231,1069 11.599,1070 31.33,1071 14.974,1072 2.206,1073 6.614,1074 27.149,1075 3.014,1076 16.53,1077 20.68,1078 12.512,1079 33.725,1080 16.082,1081 2.061,1082 5.818,1083 29.013,1084 2.778,1085 17.635,1086 22.066,1087 13.391,1088 36.113,1089 17.167,1090 19306,1091 34529,1092 24.967,1093 43.853,1094 57.021,1095 58.646,1096 59.644,1097 56.485,1098 56.47,1099 72.352,1100 10.212,1101 158.793,1102 52.988,1103 5.445,1104 5.627,1105 6.326,1106 5.216,1107 5.171,1108 7.257,1109 4.174,1110 17.964,1111 5.094,1112 24.007,1113 1.462,1114 1.504,1115 1.529,1116 1.448,1117 1.448,1118 1.855,1119 0.262,1120 4.072,1121 1.359,1122 4.023,1123 4.057,1124 4.058,1125 3.94,1126 7.434,1127 3.945,1128 3.935,1129 3.958,1130 3.889,1131 3.85,1132 5.288,1133 3.855,1134 3.768,1135 3.815,1136 3.824,1137 3.629,1138 5.043,1139 3.643,1140 3.658,1141 3.698,1142 3.572,1143 3.413,1144 4.976,1145 3.439,1146 3.469,1147 3.519,1148 3.39,1149 3.217,1150 4.914,1151 3.24,1152 3.392,1153 3.485,1154 3.287,1155 3.193,1156 4.716,1157 3.184,1158 3.303,1159 3.355,1160 3.204,1161 3.006,1162 4.58,1163 3.026,1164 3.219,1165 3.291,1166 3.144,1167 3,1168 4.465,1169 2.995,1170 0.116,1171 0.093,1172 0.174,1173 0.106,1174 0.081,1175 4.535,1176 0.109,1177 3.627,1178 0.063,1179 6.77,1180 0.284,1181 4.146,1182 0.079,1183 3.171,1184 4.257,1185 2.443,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.025,1191 2.066,1192 1.193,1193 2.054,1194 1.901,1195 1.882,1196 2.002,1197 2.019,1198 1.183,1199 2.012,1200 1.707,1201 1.664,1202 1.852,1203 1.879,1204 1.015,1205 1.866,1206 1.565,1207 1.516,1208 1.791,1209 1.818,1210 1.002,1211 1.809,1212 1.387,1213 1.327,1214 1.664,1215 1.66,1216 0.696,1217 1.658,1218 1.378,1219 1.296,1220 1.614,1221 1.632,1222 0.641,1223 1.647,1224 1.227,1225 1.163,1226 1.59,1227 1.558,1228 0.596,1229 1.565,1230 1.197,1231 1.125,1232 1.558,1233 1.472,1234 0.584,1235 1.504,1236 4.369,1238 5.673,1240 7.163,1242 8.747,1244 10.384,1246 6.458,1247 6.434,1250 11.93,1252 1.37,1254 15.825,1257 1.651,1262 42.158,1263 115.473,1264 266.215,1265 341.899,1266 359.408,1267 359.408,1268 359.408,1269 88.38,1270 7.7,1271 150.54,1272 150.54,1273 18,1274 12.658,1275 4.392,1276 3.585,1277 76.665,1278 178,1279 159,1280 0.205,1281 268.075,1282 469.61,1283 645.864,1284 24063,1285 1.5,1286 26.949,1287 0.728,1288 0.593,1289 27.449,1290 21.95,1291 17.731,1292 0.455,1293 0.304,1294 11.268,1295 16.473,1296 10.855,1297 9.081,1298 18.02,1299 11.851,1300 15.736,1301 0.297,1302 0.158,1303 16.106,1304 8.354,1305 12.313,1306 0.187,1307 0.085,1308 12.693,1309 5.629,1310 10.197,1311 0.12,1312 0.044,1313 10.431,1314 3.747,1315 8.053,1316 0.077,1317 0.024,1318 8.295,1319 2.501,1320 0.323,1321 116.193,1322 0.2,1323 33.652,1324 0.557,1325 184,1326 631.996,1327 223.106,1328 628.343,1329 837.84,1330 586,1331 211,1332 589.476,1333 244.743,1334 602.465,1335 865.92,1336 561,1337 6.073}
{0 CHEMBL314387,1 1.659,2 12.618,3 5.224,4 27.294,5 138.963,6 7.775,7 0.5,8 4.21,9 4.343,10 3.797,11 3.716,12 5.374,13 3.697,14 4.708,15 4.893,16 4.133,17 4.065,18 5.846,19 4.019,20 4.936,21 5.151,22 4.238,23 4.18,24 6.03,25 4.127,26 4.952,27 5.157,28 4.207,29 4.17,30 6.096,31 4.114,32 5.015,33 5.242,34 4.192,35 4.206,36 6.103,37 4.139,38 5.094,39 5.35,40 4.241,41 4.259,42 6.125,43 4.16,44 5.081,45 5.329,46 4.294,47 4.232,48 6.165,49 4.131,50 4.934,51 5.15,52 4.219,53 4.179,54 6.043,55 4.086,56 0.115,57 0.935,58 12.272,59 5.223,60 15.479,61 6.988,62 0.396,63 1.383,64 23.424,65 8.741,66 40.685,67 11.979,68 0.517,69 1.612,70 33.212,71 9.68,72 54.673,73 13.908,74 0.571,75 1.662,76 33.499,77 9.564,78 70.854,79 13.697,80 0.603,81 1.786,82 33.986,83 9.459,84 65.896,85 14.378,86 0.536,87 1.803,88 39.482,89 11.99,90 69.676,91 17.766,92 0.753,93 1.62,94 46.112,95 12.369,96 87.742,97 17.638,98 0.62,99 1.448,100 40.256,101 11.459,102 61.854,103 15.287,104 45,105 48,106 0.266,107 0.619,108 0.774,109 0.852,110 0.874,111 0.874,112 3.56,113 0.947,114 -5.58,115 -5.45,116 -5.09,119 38.7,120 2,121 2,125 3,139 8,140 3,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 12,169 3,170 7,172 3,173 3,175 1,178 12,180 1,181 1,182 12,187 1,189 9,191 1,192 1,193 16,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 2,207 15,212 4,215 4,218 4,220 3,221 10,223 1,224 1,226 2,229 2,231 2,233 3,234 11,236 1,237 1,239 2,241 7,243 2,245 2,246 9,248 2,249 2,254 14,260 6,262 1,263 1,265 1,268 16,270 1,273 2232,274 22.878,275 22.878,276 22.878,277 22.878,278 22.878,279 20.299,280 27.353,281 13.676,282 23.389,283 17.637,284 17.637,285 17.637,286 17.637,287 17.637,288 13.679,289 32.182,290 6.361,291 18.498,292 4.295,293 2.097,294 1.133,295 0.649,296 0.508,297 0.508,298 4.241,299 1,302 1,303 890,304 4.243,307 384.235,314 1.78,315 35.18,318 0.75,319 0.5,320 0.83,321 1,322 0.5,323 0.83,324 0.5,325 0.7,326 73.833,327 429,328 4.535,329 3.677,330 6.77,331 4.146,332 3.171,333 4.257,334 2.443,335 11.076,336 3.094,337 4.185,338 3.278,339 6.048,340 3.737,341 2.801,342 3.815,343 0.657,344 8.678,345 2.623,346 3.939,347 3.113,348 5.575,349 3.619,350 2.651,351 3.458,352 0.286,353 7.679,354 2.546,355 3.648,356 2.937,357 5.304,358 3.325,359 2.354,360 3.012,362 6.621,363 2.262,364 3.628,365 2.398,366 5.053,367 3.213,368 2.268,369 2.815,371 6.132,372 2.159,373 3.461,374 2.385,375 5.038,376 3.148,377 2.194,378 2.613,380 5.847,381 2.05,382 3.3,383 2.226,384 4.969,385 2.932,386 1.985,387 2.548,389 5.702,390 1.876,391 3.108,392 1.976,393 4.756,394 2.681,395 1.733,396 2.323,398 4.932,399 1.636,400 2.954,401 1.847,402 4.234,403 2.477,404 1.545,405 2.104,407 3.961,408 1.438,409 2.831,410 1.756,411 3.602,412 2.42,413 1.434,414 1.947,415 3.059,416 1.361,417 2.5,418 1.488,419 3.41,420 2.083,421 1.138,422 1.5,423 2.43,424 1.065,425 2.398,426 1.006,427 3.328,428 2,429 1,430 1.285,431 2.136,432 1,433 2.03,434 1,435 3.247,436 1.592,437 0.641,438 0.853,439 1.458,440 0.595,441 1.747,442 0.842,443 3.134,444 1.537,445 0.561,446 0.643,448 1.105,449 0.543,450 1.482,451 0.696,452 2.751,453 1.314,454 0.316,455 0.34,457 0.464,458 0.309,459 16.181,460 0.476,461 0.767,462 0.023,463 43.75,464 1.287,465 22.5,466 0.662,467 21.25,468 0.625,469 30.913,470 0.909,471 37.219,472 0.6,473 36.446,474 1.072,475 8.67,476 0.255,477 7.735,478 0.228,479 0.176,481 0.303,485 0.766,486 1.23,487 0.696,488 1.032,489 0.803,490 0.953,491 0.701,492 1.064,493 0.707,494 0.96,495 0.524,496 0.926,497 1.181,498 1.132,499 0.915,500 0.903,501 1.004,502 0.89,503 1.259,504 1.277,505 1.061,506 1.081,507 1.234,508 1.068,509 1.092,510 1.216,511 0.93,512 0.985,513 1.047,514 1.043,515 0.796,516 1.035,517 0.831,518 0.93,519 0.709,520 0.944,521 1.031,522 0.847,523 1.146,524 0.942,525 0.869,526 0.896,527 1.205,528 0.817,529 1.424,530 1.06,531 0.948,532 0.999,533 7,534 0.305,535 3.333,536 2.5,537 1.729,538 1.076,539 0.811,540 0.557,541 0.493,542 0.307,543 15862,544 46497,545 1.994,546 45.2,547 6,548 14,551 4,552 4,555 1.765,556 1.855,557 3.6,558 1.575,564 102.864,565 1.659,566 3.857,567 4.821,568 5.305,569 5.446,570 5.446,571 2.992,572 4.712,573 5.059,574 3.794,575 2128.66,576 8.9,577 33685.6,582 369.16,583 1.447,584 5.01,585 0.194,586 0.008,587 0.069,588 0.049,589 0.035,590 0.022,591 0.017,592 0.012,593 0.011,594 0.007,595 0.425,597 0.63,598 1.43,599 183.123,600 0.002,601 0.031,602 0.019,603 -0.001,604 -0.102,605 0.014,606 0.199,607 0.054,608 0.106,609 0.044,610 0.173,611 0.05,612 -0.105,613 -0.073,614 0.031,615 0.062,616 -0.08,617 0.06,618 -0.12,619 -0.195,620 -0.122,621 -0.131,622 -0.104,623 -0.139,624 -0.119,625 -0.112,626 -0.11,627 -0.083,628 -0.15,629 -0.128,630 0.038,631 -0.03,632 0.095,633 0.025,634 0.033,635 0.033,636 0.073,637 0.088,638 0.103,639 0.074,640 0.084,641 0.101,642 -0.028,643 0.158,644 -0.067,645 0.009,646 -0.019,647 0.007,648 1.928,649 4.508,650 0.529,651 37.647,652 1.007,653 1.136,654 4.352,655 18.94,656 0.664,657 3.611,658 3.892,659 4.111,660 4.331,661 4.522,662 4.564,663 4.635,664 4.7,665 4.762,666 4.779,667 7.692,668 0.632,669 482.04,670 3.611,671 5.13,672 5.953,673 6.81,674 7.653,675 8.519,676 9.371,677 10.242,678 11.101,679 11.976,680 11.3,684 2,687 1,690 2,692 2,695 8,696 2,700 8,702 18,711 2,717 1,718 62,719 20,720 2,721 36,723 64,724 24,725 16,726 4,727 8,729 3,730 3,731 1,734 2,739 2,741 17,742 7,744 2,748 1,750 2,751 1,757 28,758 9,759 4,760 10,761 1,764 7,769 1,770 2,776 1,781 3,793 1,802 3,806 2,807 1,810 34,811 2,816 5,818 1,821 1,828 1,829 3.2,832 1,834 1,836 18.333,837 11.56,838 7.778,839 3.83,840 3.649,841 1.489,842 0.956,843 9.342,844 11.108,845 3.871,846 4.425,847 4.951,848 5.487,849 6.013,850 6.224,851 6.564,852 6.918,853 7.265,854 7.542,855 1,856 51,857 12.504,859 5.115,860 7.827,861 23.547,863 18.337,865 2.327,866 79.111,870 282.506,871 137.322,872 135.571,873 39.149,874 36.145,877 137.322,878 357.8,879 135.571,880 17.65,881 16.875,882 141.604,883 65.907,884 29.571,885 37.431,886 282.506,887 39.149,888 282.506,889 272.893,890 36.145,891 39.149,893 282.506,894 36.145,897 39.181,898 166.938,899 105.923,901 282.506,902 171.716,903 176.471,906 282.506,907 43.862,908 96.462,910 207.862,911 282.506,912 171.716,913 176.471,915 0.568,916 0.329,917 0.172,918 0.093,919 19,920 10,921 0.172,922 11,924 1,925 4.396,926 300.532,928 18,929 168.974,933 25.569,934 12.422,935 7.222,937 171.716,938 15.172,939 8.401,943 4.543,945 65.794,946 630.693,947 47,951 11.508,953 8.768,954 -0.262,956 62.411,957 70.418,958 0.279,959 0.648,960 0.81,961 0.891,962 0.915,963 0.915,964 5.085,965 1.733,966 5.922,967 5.702,968 4.575,969 5.112,970 2.477,971 6.688,972 4.483,973 6.276,974 1.545,975 7.455,976 4.932,977 4.111,978 4.844,979 2.243,980 7.529,981 3.952,982 7.565,983 1.434,984 9.088,985 3.961,986 6.125,987 7.252,988 3.849,989 10.611,990 5.956,991 8.889,992 1.138,993 10.78,994 3.059,995 6.463,996 7.781,997 4.269,998 12.315,999 6.238,1000 10.243,1001 1,1002 12.513,1003 2.43,1004 7.943,1005 9.675,1006 5.487,1007 14.935,1008 7.707,1009 11.619,1010 0.641,1011 14.275,1012 2.136,1013 8.672,1014 10.607,1015 6.158,1016 17.031,1017 8.393,1018 13.014,1019 0.561,1020 16.06,1021 1.458,1022 9.933,1023 12.27,1024 7.208,1025 19.497,1026 9.639,1027 3.171,1028 0.316,1029 17.864,1030 1.105,1031 10.863,1032 13.425,1033 7.992,1034 21.768,1035 10.537,1036 2.801,1037 11.076,1038 19.684,1039 0.464,1040 12.034,1041 14.971,1042 8.963,1043 24.184,1044 11.691,1045 2.651,1046 8.678,1047 21.518,1048 4.257,1049 13.066,1050 16.251,1051 9.802,1052 26.529,1053 12.697,1054 2.354,1055 7.679,1056 23.363,1057 3.815,1058 14.205,1059 17.739,1060 10.734,1061 28.931,1062 13.818,1063 2.268,1064 6.621,1065 25.219,1066 3.458,1067 15.288,1068 19.088,1069 11.599,1070 31.309,1071 14.879,1072 2.194,1073 6.132,1074 27.082,1075 3.012,1076 16.419,1077 20.547,1078 12.512,1079 33.708,1080 15.992,1081 1.985,1082 5.847,1083 28.953,1084 2.815,1085 17.529,1086 21.935,1087 13.391,1088 36.1,1089 17.082,1090 15710,1091 27083,1092 23.463,1093 41.182,1094 52.495,1095 53.773,1096 54.504,1097 52.055,1098 51.857,1099 67.347,1100 6.772,1101 143.096,1102 49.346,1103 5.458,1104 5.677,1105 6.572,1106 5.216,1107 5.171,1108 7.257,1109 4.174,1110 17.964,1111 5.094,1112 19.594,1113 1.458,1114 1.494,1115 1.514,1116 1.446,1117 1.44,1118 1.871,1119 0.188,1120 3.975,1121 1.371,1122 4.021,1123 4.056,1124 4.057,1125 3.939,1126 7.432,1127 3.943,1128 3.915,1129 3.951,1130 3.844,1131 3.848,1132 5.287,1133 3.841,1134 3.767,1135 3.814,1136 3.824,1137 3.629,1138 5.04,1139 3.643,1140 3.688,1141 3.723,1142 3.594,1143 3.47,1144 4.975,1145 3.487,1146 3.521,1147 3.596,1148 3.418,1149 3.314,1150 4.77,1151 3.319,1152 3.392,1153 3.485,1154 3.288,1155 3.193,1156 4.689,1157 3.185,1158 3.197,1159 3.275,1160 3.204,1161 2.983,1162 4.465,1163 2.98,1164 3.109,1165 3.213,1166 3.043,1167 2.899,1168 4.425,1169 2.915,1170 0.126,1171 0.102,1172 0.188,1173 0.115,1174 0.088,1175 4.535,1176 0.118,1177 3.677,1178 0.068,1179 6.77,1180 0.308,1181 4.146,1182 0.086,1183 3.171,1184 4.257,1185 2.443,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.043,1191 2.065,1192 1.192,1193 2.055,1194 1.911,1195 1.88,1196 2.022,1197 2.01,1198 1.182,1199 2.019,1200 1.707,1201 1.664,1202 1.863,1203 1.879,1204 1.033,1205 1.869,1206 1.612,1207 1.567,1208 1.85,1209 1.842,1210 1.004,1211 1.841,1212 1.49,1213 1.413,1214 1.755,1215 1.719,1216 0.981,1217 1.736,1218 1.381,1219 1.296,1220 1.615,1221 1.633,1222 0.634,1223 1.652,1224 1.155,1225 1.086,1226 1.438,1227 1.425,1228 0.596,1229 1.424,1230 1.015,1231 0.942,1232 1.267,1233 1.37,1234 0.218,1235 1.355,1236 4.29,1238 5.58,1240 7.06,1242 8.634,1244 10.258,1246 3.718,1247 6.407,1250 11.903,1252 2.017,1254 5.214,1257 1.722,1262 39.202,1263 102.864,1264 239.16,1265 298.896,1266 328.896,1267 337.65,1268 337.65,1269 76.617,1270 7.459,1271 132.08,1272 132.08,1273 18,1274 12.519,1275 4.392,1276 3.585,1277 67.039,1278 157,1279 160,1280 0.204,1281 250.49,1282 434.73,1283 602.957,1284 17652,1285 1.6,1286 24.501,1287 0.721,1288 0.588,1289 25.001,1290 19.995,1291 16.405,1292 0.456,1293 0.316,1294 10.866,1295 15.478,1296 10.549,1297 8.806,1298 16.694,1299 11.365,1300 14.237,1301 0.297,1302 0.164,1303 14.608,1304 7.853,1305 11.496,1306 0.192,1307 0.088,1308 11.876,1309 5.307,1310 9.202,1311 0.123,1312 0.046,1313 9.436,1314 3.445,1315 7.175,1316 0.079,1317 0.025,1318 7.418,1319 2.279,1320 0.322,1321 106.008,1322 0.206,1323 31.541,1324 0.553,1325 168,1326 524.524,1327 201.349,1328 539.48,1329 723.88,1330 502,1331 192,1332 514.385,1333 221.092,1334 526.532,1335 760.46,1336 495,1337 5.481}
{0 CHEMBL314593,1 1.441,2 7.8,3 1.502,4 2.255,5 85.866,6 6.81,7 0.571,8 3.769,9 3.935,10 3.236,11 3.219,12 4.922,13 3.197,14 4.243,15 4.469,16 3.585,17 3.587,18 5.317,19 3.54,20 4.418,21 4.625,22 3.697,23 3.769,24 5.484,25 3.71,26 4.583,27 4.812,28 3.71,29 3.849,30 5.663,31 3.757,32 4.695,33 4.952,34 3.496,35 3.824,36 5.738,37 3.686,38 4.684,39 5.02,40 3.253,41 3.611,42 5.566,43 3.421,44 4.278,45 4.587,46 3.009,47 3.276,48 5.199,49 3.125,50 4.069,51 4.362,52 2.873,53 3.084,54 5.048,55 2.949,56 0.065,57 0.626,58 9.322,59 2.818,60 12.925,61 4.663,62 0.211,63 0.91,64 15.63,65 5.047,66 21.538,67 7.888,68 0.155,69 1.094,70 18.377,71 5.803,72 18.063,73 9.37,74 0.184,75 1.196,76 21.948,77 7.02,78 30.344,79 11.294,80 0.27,81 1.193,82 25.249,83 6.746,84 48.684,85 11.685,86 0.333,87 0.963,88 25.987,89 7.191,90 51.807,91 12.171,92 0.26,93 0.694,94 17.124,95 4.486,96 30.403,97 7.687,98 0.154,99 0.582,100 13.694,101 3.412,102 23.968,103 6.121,104 41,105 30,106 0.259,107 0.617,108 0.758,109 0.822,110 0.822,111 0.822,112 3.059,113 0.918,114 -3.25,115 -3.24,116 -3.11,119 35,120 1,121 1,124 2,139 3,140 2,141 2,143 1,144 1,147 1,157 3,158 3,159 3,166 5,169 1,170 4,172 3,173 3,175 2,178 5,180 2,182 5,184 1,185 1,187 3,189 4,191 3,193 6,195 1,196 1,197 1,198 7,200 2,201 3,204 7,205 1,207 4,212 4,215 3,218 4,223 2,224 2,225 1,226 3,228 2,229 1,231 3,232 1,233 2,234 1,236 1,237 1,239 2,243 2,246 1,250 1,253 2,258 1,262 1,263 1,273 460,274 12.939,275 12.939,276 12.939,277 12.939,278 12.939,279 11.421,280 17.597,281 7.378,282 13.239,283 10.25,284 10.25,285 10.25,286 10.25,287 10.25,288 7.896,289 23.109,290 3.349,291 10.745,292 3.881,293 1.896,294 1.113,295 0.757,296 0.757,297 0.757,298 3.707,300 1,301 1,302 1,303 315,304 2.739,307 130.566,314 1.14,315 16.027,317 1,318 0.75,319 0.83,320 0.83,321 0.9,322 1,323 0.83,324 1,325 0.88,326 43,327 156,328 4.537,329 3.263,330 6.772,331 4.153,332 3.177,333 4.256,334 0.8,335 11.078,336 3.106,337 4.225,338 3.089,339 6.336,340 3.855,341 2.9,342 3.823,344 9.412,345 2.771,346 3.656,347 2.425,348 5.357,349 3.252,350 2.315,351 3.031,353 6.782,354 2.168,355 3.303,356 2.231,357 5.038,358 2.939,359 1.992,360 2.551,362 5.707,363 1.881,364 3.192,365 2.098,366 4.854,367 2.827,368 1.895,369 2.406,371 5.236,372 1.762,373 2.935,374 1.762,375 4.535,376 2.573,377 1.614,378 2.07,380 4.25,381 1.543,382 2.452,383 1.242,384 3.684,385 2.11,386 1.139,387 1.441,389 2.711,390 1.104,391 1.707,392 0.649,393 3.3,394 1.518,395 0.536,396 0.606,398 1.002,399 0.526,400 1.312,401 0.161,402 2.744,403 0.998,404 0.051,405 0.062,407 0.111,408 0.048,409 1.025,410 -0.067,411 2.44,412 0.687,413 -0.26,414 -0.314,415 -0.623,416 -0.245,417 0.826,418 -0.305,419 2.338,420 0.439,421 -0.478,422 -0.587,423 -1.148,424 -0.437,425 0.668,426 -0.6,427 2.237,428 0.246,429 -0.722,430 -0.903,431 -1.816,432 -0.696,433 0.226,434 -0.601,435 1.869,436 0.004,437 -0.948,438 -1,439 -2,440 -0.9,442 -0.771,443 1.56,444 -0.1,445 -1,446 -1.14,448 -2.324,449 -0.904,450 -0.071,451 -1.253,452 1.452,453 -0.392,454 -1.36,455 -1.746,457 -3.864,458 -1.315,459 9.4,460 0.47,461 0.651,462 0.033,463 27,464 1.35,465 14,466 0.7,467 13,468 0.65,469 14.57,470 0.729,471 22.4,472 0.56,473 19.421,474 0.971,475 5.311,476 0.266,477 4.124,478 0.206,479 0.287,481 0.415,485 1.272,486 1.418,487 0.959,488 1.074,489 1.462,490 0.986,491 0.722,492 0.881,493 0.704,494 0.796,495 0.397,496 0.754,497 1.027,498 1.246,499 0.971,500 1.102,501 0.907,502 1.039,503 0.837,504 1.312,505 1.012,506 1.263,507 0.704,508 1.177,509 1.39,510 1.253,511 1.385,512 1.308,513 1.616,514 1.34,515 0.713,516 0.797,517 0.812,518 0.849,519 0.792,520 0.845,521 0.96,522 0.834,523 0.984,524 0.911,525 1.178,526 0.945,527 1.052,528 1.215,529 1.029,530 1.124,531 0.803,532 1.081,533 5,535 2.667,536 2.438,537 1.378,538 0.826,539 0.485,540 0.337,541 0.14,542 0.071,543 3085,544 7791,545 1.911,546 50,547 3,548 9,551 6,552 2,555 1.622,556 1.714,557 2.937,558 3.813,560 1,562 1,564 57.626,565 1.441,566 3.426,567 4.209,568 4.565,569 4.565,570 4.565,571 2.433,572 3.822,573 4.293,574 3.07,575 583.329,576 7.358,577 5813,578 1,579 1,581 1,582 212.877,583 1.571,584 4.201,585 0.238,587 0.089,588 0.074,589 0.043,590 0.036,591 0.027,592 0.024,593 0.012,594 0.014,595 0.557,596 0.5,597 1,598 1.069,599 86.986,600 -0.211,601 -0.087,602 -0.001,603 0.048,604 -0.353,605 0.053,606 0.254,607 0.276,608 0.262,609 0.274,610 0.318,611 0.27,612 -0.083,613 -0.047,614 -0.02,615 -0.006,616 -0.082,617 -0.004,618 0.036,619 -0.195,620 -0.066,621 -0.186,622 0.159,623 -0.147,624 -0.33,625 -0.194,626 -0.414,627 -0.328,628 -0.384,629 -0.375,630 0.17,631 0.003,632 0.168,633 0.074,634 0.163,635 0.114,636 0.092,637 0.063,638 0.008,640 -0.091,641 -0.007,642 0.003,643 -0.285,644 -0.041,645 -0.199,646 0.168,647 -0.137,648 1.471,649 2.083,650 0.6,651 13.3,652 0.995,653 1.147,654 2.02,655 4.082,656 0.634,657 3.091,658 3.434,659 3.689,660 3.951,661 4.078,662 4.143,663 4.143,664 4.159,665 3.912,666 3.807,667 4.72,668 0.595,669 272.4,670 3.091,671 4.635,672 5.485,673 6.378,674 7.246,675 8.144,676 9.018,677 9.917,678 10.793,679 11.693,680 15,684 3,686 1,690 2,695 3,696 2,700 7,702 12,711 3,714 1,718 40,719 12,720 1,721 21,723 41,724 14,725 10,726 3,727 3,729 2,730 2,734 1,739 1,741 10,742 4,753 1,754 1,757 20,758 6,759 6,760 6,764 6,769 1,776 1,781 2,802 2,806 3,810 20,811 3,816 1,821 1,836 11.667,837 7.85,838 4.472,839 2.219,840 2.344,841 1.371,842 0.975,843 4.113,844 8.654,845 3.332,846 3.97,847 4.559,848 5.147,849 5.659,850 5.933,851 6.221,852 6.525,853 6.675,854 6.905,855 1,856 33,857 7.315,859 2.968,860 7.758,861 13.843,863 10.799,865 2.258,866 45.167,867 0.001,870 164.795,871 75.45,872 135.387,877 75.45,878 164.795,879 135.387,880 25.618,881 2.535,882 127.12,883 33.571,884 17.766,885 4.227,886 164.795,888 164.795,889 210.837,893 164.795,897 16.016,898 161.25,899 33.571,901 164.795,902 135.387,903 75.45,906 164.795,907 21.403,908 57.171,910 132.263,911 164.795,912 135.387,913 75.45,915 0.588,916 0.353,917 0.195,918 0.096,919 14,920 8,921 0.073,922 3,924 1,925 3.013,926 148.497,928 12,929 84.439,933 14.563,934 5.649,935 2.865,937 135.387,938 5.815,939 8.29,943 4.757,945 98.692,946 375.632,947 27,956 39.796,957 45.896,958 0.271,959 0.644,960 0.791,961 0.858,962 0.858,963 0.858,964 4.575,965 0.536,966 5.509,967 2.711,968 4.111,969 4.654,970 0.673,971 6.361,972 4.025,973 5.816,974 0.051,975 7.106,976 1.002,977 3.892,978 4.62,979 0.325,980 7.376,981 3.757,982 7.146,983 -0.26,984 8.801,985 0.111,986 5.746,987 6.896,988 0.379,989 10.472,990 5.592,991 8.512,992 -0.478,993 10.551,994 -0.623,995 6.275,996 7.602,997 0.268,998 12.283,999 6.084,1000 9.905,1001 -0.722,1002 12.336,1003 -1.148,1004 7.676,1005 9.419,1006 0.239,1007 14.922,1008 7.468,1009 11.32,1010 -0.948,1011 14.145,1012 -1.816,1013 8.542,1014 10.478,1015 0.188,1016 17.07,1017 8.306,1018 12.75,1019 -1,1020 15.973,1021 -2,1022 9.773,1023 12.095,1024 0.156,1025 19.547,1026 9.519,1027 3.177,1028 -1.36,1029 17.816,1030 -2.324,1031 10.791,1032 13.333,1033 0.125,1034 21.835,1035 10.513,1036 2.9,1037 11.078,1038 19.669,1039 -3.864,1040 11.959,1041 14.856,1042 0.102,1043 24.254,1044 11.661,1045 2.315,1046 9.412,1047 21.532,1048 4.256,1049 13.043,1050 16.187,1051 0.082,1052 26.602,1053 12.723,1054 1.992,1055 6.782,1056 23.402,1057 3.823,1058 14.189,1059 17.663,1060 0.066,1061 29.001,1062 13.849,1063 1.895,1064 5.707,1065 25.277,1066 3.031,1067 15.303,1068 19.043,1069 0.054,1070 31.375,1071 14.942,1072 1.614,1073 5.236,1074 27.157,1075 2.551,1076 16.443,1077 20.498,1078 0.043,1079 33.77,1080 16.061,1081 1.139,1082 4.25,1083 29.041,1084 2.406,1085 17.571,1086 21.903,1087 0.035,1088 36.156,1089 17.169,1090 3254,1091 5269,1092 12.948,1093 25.364,1094 31.493,1095 31.199,1096 34.037,1097 31.311,1098 31.239,1099 40.491,1100 1.6,1101 92.579,1102 29.819,1103 5.227,1104 5.263,1105 6.294,1106 5.224,1107 5.177,1108 7.256,1109 1.2,1110 17.982,1111 5.106,1112 13.087,1113 1.5,1114 1.486,1115 1.621,1116 1.491,1117 1.488,1118 1.928,1119 0.076,1120 4.409,1121 1.42,1122 4.021,1123 4.058,1124 3.984,1125 3.935,1126 5.287,1127 3.942,1128 3.789,1129 3.847,1130 3.739,1131 3.634,1132 5.097,1133 3.653,1134 3.43,1135 3.521,1136 3.267,1137 3.223,1138 4.978,1139 3.215,1140 3.388,1141 3.482,1142 3.204,1143 3.164,1144 4.544,1145 3.168,1146 3.102,1147 3.219,1148 2.969,1149 2.835,1150 4.396,1151 2.854,1152 3.019,1153 3.133,1154 2.858,1155 2.781,1156 4.161,1157 2.787,1158 2.874,1159 3.009,1160 2.642,1161 2.618,1162 3.965,1163 2.575,1164 2.82,1165 2.924,1166 2.499,1167 2.559,1168 3.609,1169 2.57,1170 0.216,1171 0.155,1172 0.322,1173 0.198,1174 0.151,1175 4.537,1176 0.203,1177 3.263,1178 0.038,1179 6.772,1180 0.528,1181 4.153,1182 0.148,1183 3.177,1184 4.256,1185 0.8,1186 11.078,1187 3.106,1188 1.969,1189 1.942,1190 2.05,1191 2.079,1192 1.203,1193 2.071,1194 1.731,1195 1.681,1196 1.889,1197 1.921,1198 1.039,1199 1.909,1200 1.417,1201 1.328,1202 1.722,1203 1.659,1204 0.801,1205 1.688,1206 1.36,1207 1.269,1208 1.605,1209 1.627,1210 0.572,1211 1.64,1212 1.014,1213 0.923,1214 1.417,1215 1.378,1216 0.469,1217 1.362,1218 0.961,1219 0.871,1220 1.287,1221 1.297,1222 0.19,1223 1.308,1224 0.934,1225 0.804,1226 1.258,1227 1.239,1228 0.129,1229 1.3,1230 0.781,1231 0.675,1232 1.122,1233 1.087,1234 0.036,1235 1.107,1236 3.761,1238 5.094,1240 6.629,1242 8.264,1244 9.95,1246 5.898,1250 17.721,1252 0.724,1257 1.961,1262 23.816,1263 57.626,1264 137.049,1265 168.348,1266 182.612,1267 182.612,1268 182.612,1269 31.515,1270 6.31,1271 107.08,1272 107.08,1273 12,1274 12.22,1275 3.7,1276 2.807,1277 36.234,1278 56,1279 52,1280 0.334,1281 153.478,1282 254.4,1283 366.246,1284 3465,1286 14.861,1287 0.743,1288 0.601,1289 14.861,1290 12.013,1291 9.435,1292 0.449,1293 0.306,1294 6.331,1295 9.084,1296 6.051,1297 5.144,1298 9.435,1299 6.427,1300 8.758,1301 0.292,1302 0.16,1303 8.758,1304 4.81,1305 6.882,1306 0.176,1307 0.081,1308 6.882,1309 3.162,1310 6.116,1311 0.12,1312 0.044,1313 6.116,1314 2.234,1315 4.201,1316 0.072,1317 0.023,1318 4.201,1319 1.311,1320 0.5,1321 59.035,1322 0.278,1323 19.444,1324 0.984,1325 102,1326 262.872,1327 111.159,1328 267.516,1329 372.55,1330 248,1331 120,1332 287.282,1333 129.02,1334 297.458,1335 430.58,1336 277,1337 4.174}
{0 CHEMBL315297,1 1.659,2 12.088,3 5.044,4 25.439,5 139.378,6 7.775,7 0.5,8 4.21,9 4.343,10 3.797,11 3.716,12 5.378,13 3.697,14 4.708,15 4.895,16 4.145,17 4.068,18 5.858,19 4.026,20 4.919,21 5.118,22 4.235,23 4.202,24 6.019,25 4.146,26 4.977,27 5.196,28 4.219,29 4.215,30 6.07,31 4.143,32 5.051,33 5.282,34 4.2,35 4.23,36 6.127,37 4.155,38 5.113,39 5.376,40 4.253,41 4.261,42 6.136,43 4.165,44 5.066,45 5.302,46 4.299,47 4.243,48 6.175,49 4.143,50 4.972,51 5.199,52 4.222,53 4.191,54 6.06,55 4.093,56 0.115,57 0.935,58 12.272,59 5.223,60 15.455,61 6.988,62 0.403,63 1.382,64 23.587,65 8.729,66 40.765,67 11.98,68 0.522,69 1.628,70 31.807,71 9.526,72 54.885,73 13.497,74 0.47,75 1.733,76 34.087,77 10.293,78 58.656,79 15.144,80 0.604,81 1.837,82 35.38,83 9.985,84 67.66,85 15.193,86 0.585,87 1.822,88 40.878,89 11.967,90 71.117,91 17.907,92 0.722,93 1.628,94 44.567,95 12.202,96 86.204,97 17.227,98 0.636,99 1.474,100 42.125,101 11.95,102 64.889,103 16.104,104 57,105 49,106 0.266,107 0.628,108 0.806,109 0.883,110 0.888,111 0.888,112 3.56,113 0.935,114 -5.58,115 -5.45,116 -5.09,119 38.7,120 3,121 1,125 3,139 7,140 4,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 12,169 3,170 7,172 3,173 3,175 1,178 14,180 1,181 1,182 10,187 1,189 11,191 1,192 1,193 16,195 1,196 1,197 1,198 5,200 2,201 5,204 5,205 1,206 2,207 16,212 4,215 4,218 4,220 3,221 10,223 1,224 1,226 2,229 2,231 2,233 3,234 11,236 1,237 1,239 2,241 7,243 2,245 2,246 9,248 2,249 2,254 13,260 6,262 1,263 1,265 1,268 15,270 1,273 2200,274 22.455,275 22.455,276 22.455,277 22.455,278 22.455,279 19.799,280 28.566,281 13.326,282 22.966,283 17.709,284 17.709,285 17.709,286 17.709,287 17.709,288 13.683,289 34.451,290 6.278,291 18.576,292 4.295,293 2.045,294 0.934,295 0.456,296 0.424,297 0.424,298 4.239,299 1,302 1,303 851,304 4.183,307 381.62,314 1.794,315 34.544,318 0.75,319 0.5,320 0.83,321 1,322 0.5,323 1,324 1,325 0.8,326 73.833,327 411,328 4.535,329 3.627,330 6.77,331 4.146,332 3.171,333 4.257,334 2.443,335 11.076,336 3.094,337 4.185,338 3.278,339 6.048,340 3.747,341 2.805,342 3.815,343 0.657,344 8.678,345 2.691,346 4.059,347 3.113,348 5.638,349 3.685,350 2.712,351 3.653,352 0.286,353 7.863,354 2.576,355 3.647,356 2.974,357 5.305,358 3.355,359 2.394,360 3.013,362 6.649,363 2.29,364 3.577,365 2.585,366 5.205,367 3.186,368 2.256,369 2.745,371 6.548,372 2.104,373 3.51,374 2.385,375 5.038,376 3.159,377 2.194,378 2.683,380 5.702,381 2.068,382 3.3,383 2.226,384 4.756,385 2.932,386 1.985,387 2.549,389 5.197,390 1.877,391 3.217,392 2.138,393 4.686,394 2.853,395 1.862,396 2.432,398 5.041,399 1.84,400 3.1,401 1.974,402 4.632,403 2.678,404 1.731,405 2.304,407 4.929,408 1.632,409 2.903,410 1.843,411 4.231,412 2.456,413 1.531,414 2.018,415 3.951,416 1.364,417 2.661,418 1.711,419 3.483,420 2.193,421 1.196,422 1.733,423 2.605,424 1.192,425 2.39,426 1.234,427 3.341,428 2.035,429 1.073,430 1.256,431 2.308,432 1.02,433 2.009,434 0.845,435 3.327,436 1.574,437 0.624,438 0.823,439 1.435,440 0.575,441 1.747,442 0.716,443 3.13,444 1.53,445 0.553,446 0.641,448 1.103,449 0.538,450 1.39,451 0.567,452 2.753,453 1.048,454 0.138,455 0.165,457 0.272,458 0.116,459 16.181,460 0.476,461 0.911,462 0.027,463 43.75,464 1.287,465 22.5,466 0.662,467 21.25,468 0.625,469 31.572,470 0.929,471 37.219,472 0.6,473 36.655,474 1.078,475 8.769,476 0.258,477 7.492,478 0.22,479 0.207,481 0.334,485 0.766,486 1.23,487 0.696,488 1.032,489 0.815,490 0.953,491 0.696,492 1.016,493 0.671,494 0.899,495 0.478,496 0.863,497 1.247,498 1.17,499 0.999,500 0.948,501 1.095,502 0.969,503 0.867,504 1.296,505 0.97,506 1.126,507 0.801,508 1.082,509 1.047,510 1.245,511 0.924,512 1.021,513 1.02,514 1.071,515 0.823,516 0.958,517 0.802,518 0.839,519 0.687,520 0.863,521 1.057,522 0.919,523 1.21,524 1.031,525 0.92,526 0.986,527 1.145,528 0.772,529 1.36,530 1.024,531 0.904,532 0.958,533 8,534 0.297,535 3.333,536 2.813,537 1.84,538 1.187,539 0.892,540 0.589,541 0.518,542 0.387,543 15694,544 46301,545 1.977,546 45.2,547 6,548 13,551 4,552 5,555 1.765,556 1.821,557 3.541,558 1.575,564 102.864,565 1.659,566 3.909,567 5.02,568 5.498,569 5.531,570 5.531,571 2.922,572 4.852,573 5.061,574 3.771,575 2115.3,576 8.901,577 33396.3,582 369.16,583 1.508,584 4.999,585 0.222,586 0.007,587 0.068,588 0.055,589 0.037,590 0.025,591 0.018,592 0.013,593 0.012,594 0.009,595 0.465,597 0.75,598 1.308,599 182.85,600 0.002,601 0.031,602 0.019,603 -0.001,604 -0.115,605 0.014,606 0.207,607 0.098,608 0.145,609 0.105,610 0.22,611 0.114,612 -0.167,613 -0.076,614 -0.067,615 0.024,616 -0.169,617 -0.025,618 0.002,619 -0.213,620 -0.055,621 -0.16,622 0.011,623 -0.122,624 -0.1,625 -0.155,626 -0.106,627 -0.114,628 -0.145,629 -0.147,630 0.03,631 0.038,632 0.132,633 0.103,634 0.052,635 0.108,636 0.052,637 0.042,638 0.034,639 -0.008,640 0.047,641 0.007,642 0.001,643 0.179,644 -0.019,645 0.039,646 0.007,647 0.054,648 2.016,649 4.185,650 0.529,651 36.706,652 1.007,653 1.136,654 4.352,655 18.94,656 0.664,657 3.611,658 3.912,659 4.111,660 4.357,661 4.543,662 4.605,663 4.644,664 4.718,665 4.779,666 4.804,667 7.619,668 0.632,669 482.04,670 3.611,671 5.142,672 5.964,673 6.83,674 7.672,675 8.545,676 9.396,677 10.273,678 11.131,679 12.011,680 11.3,684 2,687 1,690 2,692 2,695 7,696 2,700 9,702 18,711 2,717 1,718 62,719 20,720 2,721 36,723 64,724 24,725 16,726 5,727 7,729 3,730 3,731 1,734 3,739 1,741 17,742 7,744 2,748 1,750 2,751 1,757 28,758 9,759 4,760 10,761 1,764 7,769 1,770 2,776 1,781 3,793 1,802 3,806 3,807 1,810 34,811 2,816 4,818 1,821 1,828 1,829 3.2,832 1,834 1,836 18.667,837 11.976,838 7.611,839 3.649,840 3.722,841 1.497,842 0.956,843 8.939,844 11.216,845 3.871,846 4.449,847 4.961,848 5.52,849 6.04,850 6.27,851 6.578,852 6.932,853 7.283,854 7.562,855 0.875,856 51,857 12.489,859 5.107,860 7.832,861 23.505,863 18.318,865 2.332,866 79.278,870 282.506,871 137.322,872 135.571,873 39.149,874 36.145,877 137.322,878 357.8,879 135.571,880 26.476,881 14.34,882 132.128,883 65.907,884 32.756,885 37.431,886 282.506,887 39.149,888 282.506,889 272.893,890 36.145,891 39.149,893 282.506,894 36.145,897 45.472,898 160.647,899 105.923,901 282.506,902 171.716,903 176.471,906 282.506,907 44.513,908 95.811,910 207.862,911 282.506,912 171.716,913 176.471,915 0.575,916 0.32,917 0.172,918 0.094,919 20,920 11,921 0.156,922 10,924 1,925 4.355,926 302.726,928 18,929 170.974,933 25.569,934 11.887,935 7.222,937 171.716,938 13.422,939 8.401,943 5.687,945 65.794,946 630.693,947 47,951 11.185,953 8.774,954 -0.349,956 62.411,957 70.418,958 0.279,959 0.657,960 0.843,961 0.923,962 0.929,963 0.929,964 5.097,965 1.862,966 5.948,967 5.197,968 4.595,969 5.136,970 2.477,971 6.723,972 4.506,973 6.304,974 1.731,975 7.487,976 5.041,977 4.205,978 4.945,979 2.243,980 7.567,981 4.061,982 7.602,983 1.531,984 9.122,985 4.929,986 6.155,987 7.292,988 3.849,989 10.643,990 5.992,991 8.931,992 1.196,993 10.815,994 3.951,995 6.524,996 7.861,997 4.269,998 12.335,999 6.314,1000 10.289,1001 1.073,1002 12.545,1003 2.605,1004 7.977,1005 9.725,1006 5.487,1007 14.957,1008 7.751,1009 11.667,1010 0.624,1011 14.304,1012 2.308,1013 8.719,1014 10.679,1015 6.158,1016 17.045,1017 8.456,1018 13.062,1019 0.553,1020 16.086,1021 1.435,1022 9.968,1023 12.325,1024 7.208,1025 19.511,1026 9.689,1027 3.171,1028 0.138,1029 17.887,1030 1.103,1031 10.903,1032 13.492,1033 7.992,1034 21.777,1035 10.594,1036 2.805,1037 11.076,1038 19.705,1039 0.272,1040 12.069,1041 15.028,1042 8.963,1043 24.192,1044 11.743,1045 2.712,1046 8.678,1047 21.536,1048 4.257,1049 13.101,1050 16.311,1051 9.802,1052 26.535,1053 12.75,1054 2.394,1055 7.863,1056 23.379,1057 3.815,1058 14.237,1059 17.792,1060 10.734,1061 28.936,1062 13.868,1063 2.256,1064 6.649,1065 25.233,1066 3.653,1067 15.319,1068 19.14,1069 11.599,1070 31.312,1071 14.928,1072 2.194,1073 6.548,1074 27.095,1075 3.013,1076 16.447,1077 20.594,1078 12.512,1079 33.711,1080 16.037,1081 1.985,1082 5.702,1083 28.964,1084 2.745,1085 17.555,1086 21.98,1087 13.391,1088 36.101,1089 17.124,1090 15562,1091 26923,1092 23.175,1093 41.182,1094 53.294,1095 54.008,1096 55.017,1097 52.573,1098 52.451,1099 68.175,1100 6.772,1101 146.714,1102 49.957,1103 5.443,1104 5.627,1105 6.331,1106 5.216,1107 5.171,1108 7.257,1109 4.174,1110 17.964,1111 5.094,1112 21.168,1113 1.48,1114 1.5,1115 1.528,1116 1.46,1117 1.457,1118 1.894,1119 0.188,1120 4.075,1121 1.388,1122 4.023,1123 4.058,1124 4.057,1125 3.942,1126 7.434,1127 3.945,1128 3.935,1129 3.969,1130 3.87,1131 3.875,1132 5.287,1133 3.869,1134 3.768,1135 3.816,1136 3.824,1137 3.629,1138 5.04,1139 3.643,1140 3.658,1141 3.701,1142 3.569,1143 3.418,1144 4.975,1145 3.442,1146 3.466,1147 3.519,1148 3.385,1149 3.225,1150 4.762,1151 3.245,1152 3.392,1153 3.485,1154 3.287,1155 3.193,1156 4.685,1157 3.184,1158 3.202,1159 3.284,1160 3.204,1161 3.052,1162 4.465,1163 3.031,1164 3.131,1165 3.228,1166 3.009,1167 2.91,1168 4.428,1169 2.926,1170 0.126,1171 0.101,1172 0.188,1173 0.115,1174 0.088,1175 4.535,1176 0.118,1177 3.627,1178 0.068,1179 6.77,1180 0.308,1181 4.146,1182 0.086,1183 3.171,1184 4.257,1185 2.443,1186 11.076,1187 3.094,1188 1.959,1189 1.935,1190 2.062,1191 2.066,1192 1.216,1193 2.057,1194 1.933,1195 1.905,1196 2.023,1197 2.025,1198 1.188,1199 2.034,1200 1.707,1201 1.664,1202 1.852,1203 1.88,1204 1.037,1205 1.868,1206 1.57,1207 1.518,1208 1.8,1209 1.819,1210 1.003,1211 1.813,1212 1.392,1213 1.333,1214 1.67,1215 1.659,1216 0.741,1217 1.659,1218 1.379,1219 1.296,1220 1.614,1221 1.632,1222 0.684,1223 1.648,1224 1.232,1225 1.156,1226 1.566,1227 1.442,1228 0.596,1229 1.489,1230 1.079,1231 1,1232 1.388,1233 1.376,1234 0.505,1235 1.362,1236 4.29,1238 5.595,1240 7.081,1242 8.66,1244 10.29,1246 5.36,1247 6.409,1250 11.904,1252 1.675,1254 5.089,1257 1.721,1262 39.202,1263 102.864,1264 242.37,1265 311.244,1266 340.896,1267 342.896,1268 342.896,1269 74.846,1270 7.494,1271 132.08,1272 132.08,1273 18,1274 12.552,1275 4.392,1276 3.585,1277 67.04,1278 156,1279 138,1280 0.206,1281 250.49,1282 434.73,1283 602.957,1284 18470,1285 1.6,1286 24.665,1287 0.725,1288 0.594,1289 25.165,1290 20.211,1291 16.261,1292 0.452,1293 0.312,1294 10.716,1295 15.318,1296 10.322,1297 8.635,1298 16.55,1299 11.215,1300 14.752,1301 0.301,1302 0.166,1303 15.122,1304 8.122,1305 11.204,1306 0.187,1307 0.088,1308 11.584,1309 5.3,1310 9.408,1311 0.122,1312 0.047,1313 9.643,1314 3.6,1315 7.202,1316 0.077,1317 0.025,1318 7.444,1319 2.314,1320 0.325,1321 105.143,1322 0.208,1323 31.473,1324 0.56,1325 170,1326 528.524,1327 203.349,1328 544.468,1329 729.65,1330 506,1331 194,1332 518.385,1333 222.428,1334 532.832,1335 766.47,1336 499,1337 5.237}
{0 CHEMBL315409,1 1.403,2 9.864,3 2.477,4 6.135,5 95.505,6 6.532,7 0.522,8 3.894,9 4.061,10 3.318,11 3.359,12 4.989,13 3.321,14 4.389,15 4.609,16 3.64,17 3.725,18 5.408,19 3.647,20 4.628,21 4.884,22 3.737,23 3.861,24 5.589,25 3.776,26 4.669,27 4.911,28 3.744,29 3.904,30 5.694,31 3.805,32 4.769,33 5.032,34 3.633,35 3.916,36 5.76,37 3.789,38 4.771,39 5.072,40 3.473,41 3.817,42 5.706,43 3.648,44 4.609,45 4.922,46 3.217,47 3.604,48 5.499,49 3.42,50 4.393,51 4.713,52 2.915,53 3.356,54 5.244,55 3.162,56 0.081,57 0.704,58 11.038,59 3.517,60 13.246,61 5.73,62 0.194,63 1.03,64 18.303,65 6.425,66 23.581,67 9.869,68 0.223,69 1.212,70 23.611,71 6.959,72 27.346,73 11.665,74 0.233,75 1.271,76 24.542,77 7.449,78 34.921,79 12.307,80 0.284,81 1.303,82 27.419,83 7.426,84 44.437,85 12.923,86 0.322,87 1.175,88 27.48,89 8.098,90 51.175,91 13.427,92 0.306,93 0.955,94 23.482,95 6.669,96 41.61,97 11.182,98 0.23,99 0.746,100 18.927,101 5.058,102 34.604,103 8.785,104 33,105 31,106 0.245,107 0.595,108 0.783,109 0.875,110 0.875,111 0.875,112 3.146,113 0.994,114 -3.76,115 -3.72,116 -3.54,119 34.8,120 2,121 3,125 1,139 3,140 2,141 2,143 1,144 1,147 1,157 3,158 3,159 3,166 7,169 1,170 3,172 3,173 3,175 4,178 6,180 2,182 3,186 1,187 6,188 1,189 4,191 3,193 5,195 1,196 1,197 1,198 9,200 2,201 4,204 7,205 1,207 3,212 6,215 6,218 5,223 2,224 2,225 1,226 4,228 2,229 5,231 4,232 1,237 2,238 1,239 4,240 1,241 4,243 3,250 1,251 1,253 2,254 2,258 1,260 2,264 1,265 1,267 1,268 2,270 1,273 652,274 14.723,275 14.723,276 14.723,277 14.723,278 14.723,279 13.181,280 18.986,281 8.855,282 14.981,283 11.242,284 11.242,285 11.242,286 11.242,287 11.242,288 8.874,289 25.609,290 4.06,291 11.679,292 4.121,293 2.113,294 1.039,295 0.511,296 0.511,297 0.511,298 3.805,300 1,301 1,302 1,303 441,304 2.915,307 150.44,314 1.707,315 18.347,317 1,318 0.75,319 0.83,320 0.83,321 0.9,322 1,323 0.83,324 1,325 0.88,326 47,327 217,328 4.532,329 3.249,330 6.769,331 4.147,332 3.17,333 4.253,334 0.4,335 11.071,336 3.101,337 4.16,338 2.922,339 6.042,340 3.753,341 2.788,342 3.782,344 8.641,345 2.69,346 3.623,347 2.365,348 5.315,349 3.207,350 2.271,351 2.999,353 6.67,354 2.126,355 3.301,356 2.224,357 5.038,358 2.934,359 1.986,360 2.549,362 5.704,363 1.878,364 3.127,365 1.951,366 4.774,367 2.753,368 1.8,369 2.346,371 5.029,372 1.711,373 2.874,374 1.753,375 4.21,376 2.615,377 1.642,378 1.998,380 3.859,381 1.594,382 2.623,383 1.487,384 3.608,385 2.397,386 1.414,387 1.631,389 3.017,390 1.387,391 1.923,392 0.945,393 3.335,394 1.78,395 0.815,396 0.879,398 1.548,399 0.785,400 1.686,401 0.646,402 2.92,403 1.518,404 0.536,405 0.598,407 0.951,408 0.526,409 1.349,410 0.253,411 2.731,412 1.115,413 0.152,414 0.173,415 0.276,416 0.146,417 1.127,418 0.015,419 2.426,420 0.829,421 -0.118,422 -0.14,423 -0.265,424 -0.112,425 0.826,426 -0.305,427 2.302,428 0.456,429 -0.478,430 -0.572,431 -0.963,432 -0.437,433 0.737,434 -0.38,435 2.227,436 0.438,437 -0.51,438 -0.587,439 -1.148,440 -0.491,441 0.509,442 -0.624,443 1.885,444 0.218,445 -0.749,446 -0.909,448 -1.8,449 -0.721,450 0.222,451 -0.787,452 1.627,453 0.003,454 -0.951,455 -1.119,457 -2.203,458 -0.909,459 10.4,460 0.473,461 0.524,462 0.024,463 27.75,464 1.261,465 14,466 0.636,467 13.75,468 0.625,469 17.834,470 0.811,471 25,472 0.543,473 19.428,474 0.883,475 5.1,476 0.232,477 5.462,478 0.248,479 0.212,481 0.337,485 1.289,486 1.323,487 1.013,488 1.067,489 1.42,490 1.013,491 0.537,492 1.129,493 0.816,494 1.102,495 0.418,496 1.011,497 1.02,498 1.097,499 0.867,500 0.928,501 0.804,502 0.884,503 0.978,504 1.266,505 1.027,506 1.177,507 0.811,508 1.118,509 1.387,510 1.178,511 1.233,512 1.139,513 1.424,514 1.162,515 0.861,516 0.984,517 0.995,518 1.044,519 0.996,520 1.038,521 0.91,522 0.904,523 1.013,524 0.997,525 1.107,526 1.015,527 1.096,528 0.933,529 1.067,530 0.983,531 1.109,532 1.016,533 4.5,534 0.07,535 2.444,536 2.063,537 1.418,538 0.847,539 0.586,540 0.255,541 0.148,542 0.086,543 4379,544 9901,545 1.944,546 52.2,547 8,548 5,551 7,552 2,553 2,555 1.646,556 1.784,557 3.21,558 4.615,559 1,560 1,564 64.535,565 1.403,566 3.41,567 4.485,568 5.012,569 5.012,570 5.012,571 2.738,572 4.187,573 4.421,574 3.374,575 779.384,576 7.605,577 8502.31,579 1,581 1,582 254.084,583 1.529,584 4.365,585 0.196,586 0.008,587 0.079,588 0.061,589 0.043,590 0.03,591 0.025,592 0.015,593 0.012,594 0.009,595 0.478,596 0.17,597 1,598 1.611,599 101.103,600 -0.212,601 0.033,602 -0.009,603 0.098,604 -0.282,605 0.075,606 0.323,607 0.041,608 0.155,609 0.023,610 0.304,611 0.061,612 -0.01,613 -0.012,614 0.122,615 0.105,616 0.038,617 0.127,618 0.017,619 -0.146,620 -0.042,621 -0.123,622 0.114,623 -0.095,624 -0.266,625 -0.106,626 -0.237,627 -0.153,628 -0.236,629 -0.186,630 0.078,631 -0.046,632 -0.024,633 -0.078,634 0.052,635 -0.066,636 0.076,637 0.001,638 -0.037,639 -0.064,640 -0.036,641 -0.065,642 -0.07,643 -0.046,644 -0.087,645 -0.072,646 -0.077,647 -0.081,648 1.469,649 2.144,650 0.545,651 18.843,652 0.991,653 1.146,654 2.526,655 6.38,656 0.628,657 3.178,658 3.466,659 3.714,660 3.97,661 4.143,662 4.19,663 4.19,664 4.205,665 4.143,666 4.06,667 5.609,668 0.584,669 300.46,670 3.178,671 4.691,672 5.525,673 6.399,674 7.258,675 8.142,676 9.011,677 9.9,678 10.774,679 11.666,680 13,684 3,685 1,690 2,695 3,696 2,700 7,702 12,711 3,712 1,718 46,719 12,720 1,721 23,723 47,724 16,725 10,726 3,727 3,729 2,730 2,734 2,739 3,741 10,742 6,753 1,754 1,757 24,758 6,759 7,760 6,764 6,769 1,776 1,781 2,802 2,806 2,810 22,811 3,816 4,817 1,836 12.333,837 8.4,838 5.111,839 2.957,840 2.338,841 1.36,842 0.972,843 5.58,844 8.832,845 3.401,846 3.989,847 4.559,848 5.142,849 5.67,850 5.93,851 6.209,852 6.526,853 6.742,854 6.94,855 0.857,856 34,857 8.083,859 3.264,860 7.689,861 15.511,863 12.168,865 2.189,866 48.167,869 1,870 200.109,871 74.657,872 150.273,877 74.657,878 200.109,879 150.273,880 17.65,881 9.709,882 127.12,883 51.582,884 14.641,885 4.227,886 200.109,888 200.109,889 224.93,893 176.567,894 23.542,897 32.016,898 141.333,899 51.582,901 200.109,902 150.273,903 74.657,906 200.109,907 28.578,908 46.079,909 18.011,910 132.263,911 200.109,912 150.273,913 74.657,915 0.564,916 0.334,917 0.187,918 0.101,919 13,920 7,921 0.128,922 6,924 1,925 3.31,926 163.617,928 12,929 96.107,933 16.525,934 7.428,935 3.884,937 150.273,938 5.85,939 8.331,943 4.754,945 116.702,946 425.039,947 29,956 45.563,957 52.727,958 0.254,959 0.617,960 0.812,961 0.907,962 0.907,963 0.907,964 4.615,965 0.815,966 5.509,967 3.017,968 4.143,969 4.673,970 0.278,971 6.323,972 4.07,973 5.822,974 0.536,975 7.072,976 1.548,977 3.761,978 4.559,980 7.265,981 3.649,982 7.133,983 0.152,984 8.74,985 0.951,986 5.727,987 6.886,988 0.05,989 10.378,990 5.591,991 8.485,992 -0.118,993 10.469,994 0.276,995 6.155,996 7.56,998 12.162,999 5.993,1000 9.868,1001 -0.478,1002 12.237,1003 -0.265,1004 7.61,1005 9.396,1006 0.008,1007 14.807,1008 7.427,1009 11.275,1010 -0.51,1011 14.034,1012 -0.963,1013 8.423,1014 10.44,1016 16.949,1017 8.221,1018 12.7,1019 -0.749,1020 15.851,1021 -1.148,1022 9.678,1023 12.066,1024 0.001,1025 19.431,1026 9.455,1027 3.17,1028 -0.951,1029 17.685,1030 -1.8,1031 10.67,1032 13.297,1034 21.723,1035 10.429,1036 2.788,1037 11.071,1038 19.532,1039 -2.203,1040 11.846,1041 14.823,1043 24.149,1044 11.586,1045 2.271,1046 8.641,1047 21.389,1048 4.253,1049 12.919,1050 16.15,1052 26.504,1053 12.641,1054 1.986,1055 6.67,1056 23.255,1057 3.782,1058 14.069,1059 17.629,1061 28.911,1062 13.77,1063 1.8,1064 5.704,1065 25.128,1066 2.999,1067 15.178,1068 19.006,1070 31.292,1071 14.861,1072 1.642,1073 5.029,1074 27.006,1075 2.549,1076 16.319,1077 20.462,1079 33.694,1080 15.982,1081 1.414,1082 3.859,1083 28.89,1084 2.346,1085 17.446,1086 21.867,1088 36.087,1089 17.09,1090 4565,1091 7011,1092 14.622,1093 28.887,1094 33.176,1095 33.26,1096 35.572,1097 33.222,1098 33.149,1099 42.415,1100 0.8,1101 93.528,1102 31.887,1103 5.376,1104 5.249,1105 6.678,1106 5.217,1107 5.17,1108 7.253,1109 0.8,1110 17.961,1111 5.101,1112 13.049,1113 1.442,1114 1.446,1115 1.547,1116 1.444,1117 1.441,1118 1.844,1119 0.035,1120 4.066,1121 1.386,1122 4.02,1123 4.057,1124 3.982,1125 3.934,1126 5.288,1127 3.94,1128 3.791,1129 3.85,1130 3.735,1131 3.637,1132 5.1,1133 3.653,1134 3.647,1135 3.717,1136 3.475,1137 3.51,1138 4.978,1139 3.491,1140 3.392,1141 3.485,1142 3.204,1143 3.193,1144 4.547,1145 3.185,1146 3.233,1147 3.332,1148 3.073,1149 3.013,1150 4.397,1151 3.012,1152 3.098,1153 3.215,1154 2.929,1155 2.839,1156 4.195,1157 2.85,1158 3.019,1159 3.133,1160 2.857,1161 2.788,1162 3.966,1163 2.789,1164 2.854,1165 2.954,1166 2.667,1167 2.592,1168 3.932,1169 2.609,1170 0.197,1171 0.141,1172 0.294,1173 0.18,1174 0.138,1175 4.532,1176 0.185,1177 3.249,1178 0.017,1179 6.769,1180 0.481,1181 4.147,1182 0.135,1183 3.17,1184 4.253,1185 0.4,1186 11.071,1187 3.101,1188 1.967,1189 1.94,1190 2.052,1191 2.078,1192 1.266,1193 2.071,1194 1.743,1195 1.689,1196 1.964,1197 1.933,1198 1.186,1199 1.936,1200 1.655,1201 1.59,1202 1.865,1203 1.827,1204 1.014,1205 1.848,1206 1.384,1207 1.298,1208 1.635,1209 1.634,1210 0.75,1211 1.655,1212 1.223,1213 1.127,1214 1.56,1215 1.489,1216 0.594,1217 1.52,1218 1.019,1219 0.929,1220 1.289,1221 1.377,1222 0.25,1223 1.363,1224 0.965,1225 0.878,1226 1.26,1227 1.297,1228 0.189,1229 1.3,1230 0.817,1231 0.709,1232 1.151,1233 1.114,1234 0.127,1235 1.137,1236 3.85,1238 5.142,1240 6.642,1242 8.252,1244 9.92,1246 4.166,1250 17.839,1252 3.889,1253 3.337,1262 26.87,1263 64.535,1264 156.865,1265 206.309,1266 230.574,1267 230.574,1268 230.574,1269 38.755,1270 6.494,1271 115.87,1272 115.87,1273 12,1274 12.197,1275 3.7,1276 2.807,1277 42.256,1278 72,1279 94,1280 0.295,1281 172.662,1282 289,1283 413.056,1284 4627,1286 16.113,1287 0.732,1288 0.599,1289 16.113,1290 13.187,1291 10.562,1292 0.459,1293 0.331,1294 7.541,1295 10.256,1296 7.31,1297 6.196,1298 10.562,1299 7.62,1300 9.106,1301 0.294,1302 0.169,1303 9.106,1304 5.225,1305 7.315,1306 0.183,1307 0.089,1308 7.315,1309 3.55,1310 6.25,1311 0.12,1312 0.046,1313 6.25,1314 2.396,1315 4.686,1316 0.076,1317 0.025,1318 4.686,1319 1.534,1320 0.456,1321 65.509,1322 0.262,1323 21.668,1324 0.827,1325 108,1326 263.56,1327 117.131,1328 268.534,1329 376.07,1330 250,1331 125,1332 290.859,1333 133.521,1334 297.834,1335 433.73,1336 281,1337 4.602}
{0 CHEMBL317017,1 1.565,2 9.273,3 2.563,4 6.567,5 93.962,6 7.986,7 0.64,8 3.789,9 3.92,10 3.476,11 3.395,12 4.875,13 3.347,14 4.308,15 4.482,16 3.896,17 3.823,18 5.354,19 3.743,20 4.524,21 4.718,22 3.908,23 3.949,24 5.446,25 3.831,26 4.621,27 4.854,28 3.891,29 3.923,30 5.521,31 3.769,32 4.544,33 4.786,34 3.544,35 3.791,36 5.43,37 3.622,38 4.435,39 4.702,40 3.4,41 3.651,42 5.27,43 3.481,44 4.252,45 4.527,46 3.249,47 3.478,48 5.078,49 3.293,50 4.024,51 4.3,52 3.005,53 3.232,54 4.887,55 3.069,56 0.043,57 0.648,58 8.123,59 3.383,60 9.018,61 4.311,62 0.199,63 1.061,64 15.949,65 6.128,66 19.897,67 7.931,68 0.131,69 1.252,70 21.982,71 8.092,72 15.131,73 10.354,74 0.193,75 1.32,76 26.979,77 9.392,78 23.936,79 12.416,80 0.258,81 1.209,82 28.631,83 8.845,84 27.756,85 10.727,86 0.215,87 1.019,88 20.15,89 7.287,90 24.277,91 10.033,92 0.175,93 0.843,94 19.469,95 6.686,96 20.292,97 8.755,98 0.135,99 0.67,100 15.582,101 5.064,102 17.039,103 6.666,104 5,105 36,106 0.277,107 0.649,108 0.762,109 0.833,110 0.846,111 0.846,112 3.147,113 0.974,114 -3.91,115 -3.87,116 -3.67,119 41,121 1,125 3,139 5,140 3,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 8,169 1,170 5,172 3,173 3,175 1,178 9,180 1,182 6,187 1,189 4,191 1,193 6,195 1,196 1,197 1,198 4,200 2,201 1,204 4,205 1,206 1,207 1,212 1,215 4,218 1,220 1,223 1,224 1,226 1,229 7,231 1,234 1,236 1,237 1,241 7,246 3,251 1,254 4,256 1,260 4,265 3,268 1,270 3,273 556,274 15.033,275 15.033,276 15.033,277 15.033,278 15.033,279 13.054,280 18.919,281 8.851,282 15.481,283 12.399,284 12.399,285 12.399,286 12.399,287 12.399,288 9.425,289 26.265,290 4.278,291 13.175,292 3.72,293 1.621,294 0.984,295 0.583,296 0.513,297 0.513,298 3.849,300 1,301 1,302 1,303 455,304 2.236,306 32.089,307 151.393,310 128.05,314 1.545,315 14.441,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 46.5,327 204,328 4.714,329 3.427,330 6.926,331 4.235,332 3.289,333 4.684,334 0.995,335 11.679,336 3.116,337 3.965,338 3.001,339 5.856,340 3.655,341 2.705,342 3.461,343 0.359,344 8.203,345 2.586,346 3.861,347 2.667,348 5.513,349 3.44,350 2.482,351 3.352,353 7.362,354 2.361,355 3.458,356 2.34,357 5.168,358 3.087,359 2.154,360 2.823,362 6.21,363 1.999,364 3.38,365 2.15,366 5.035,367 2.91,368 2.024,369 2.615,371 5.938,372 1.786,373 3.1,374 1.911,375 4.895,376 2.686,377 1.763,378 2.256,380 5.366,381 1.608,382 2.81,383 1.767,384 4.402,385 2.397,386 1.452,387 1.911,389 4.035,390 1.389,391 2.666,392 1.506,393 3.594,394 2.387,395 1.406,396 1.702,398 3.034,399 1.343,400 2.5,401 1,402 3.381,403 2,404 1,405 1.5,407 2.136,408 1,409 1.781,410 0.679,411 3.247,412 1.494,413 0.573,414 0.672,415 1.503,416 0.519,417 1.226,418 0.282,419 2.888,420 0.945,425 1.117,426 -0.042,427 2.727,428 0.676,429 -0.219,430 -0.28,431 -0.597,432 -0.196,433 0.809,434 -0.299,435 2.514,436 0.414,437 -0.495,438 -0.601,439 -1.235,440 -0.445,441 0.602,442 -0.418,443 2.261,444 0.298,445 -0.671,446 -0.79,448 -1.635,449 -0.653,450 0.5,451 -0.544,452 2.229,453 0.053,454 -0.849,455 -0.957,457 -2.347,458 -0.745,459 10.833,460 0.492,461 0.554,462 0.025,463 29.75,464 1.352,465 15,466 0.682,467 14.75,468 0.67,469 17.093,470 0.777,471 22.767,472 0.584,473 18.129,474 0.824,475 5.631,476 0.256,477 5.072,478 0.231,479 0.074,481 0.36,485 1.128,486 1.129,487 0.756,488 0.809,489 1.241,490 0.805,491 0.753,492 0.842,493 0.782,494 0.818,495 0.41,496 0.824,497 0.987,498 1.192,499 1.069,500 1.141,501 0.788,502 1.091,503 0.59,504 1.216,505 0.986,506 1.221,507 0.543,508 1.113,509 1.334,510 1.077,511 1.615,512 1.364,513 1.305,514 1.185,515 0.889,516 0.811,517 0.851,518 0.865,519 1.018,520 1.039,521 0.858,522 0.788,523 1.015,524 0.933,525 0.976,526 0.938,527 1.074,528 0.833,529 1.036,530 0.906,531 1.063,532 0.887,533 4.5,534 0.065,535 1.778,536 2.167,537 1.164,538 0.598,539 0.362,540 0.266,541 0.157,542 0.103,543 5251,544 13189,545 2.176,546 43.6,548 11,551 4,553 2,555 1.643,556 2.063,557 3.187,558 1.87,559 1,560 1,562 1,564 61.034,565 1.565,566 3.664,567 4.302,568 4.702,569 4.773,570 4.773,571 2.681,572 4.096,573 4.429,574 3.317,575 766.233,576 7.597,577 8212.8,578 1,579 1,581 1,582 206.131,583 1.322,584 4.403,585 0.18,586 0.006,587 0.049,588 0.062,589 0.038,590 0.025,591 0.018,592 0.016,593 0.011,594 0.008,595 0.413,596 0.33,597 1,598 0.517,599 100.473,600 -0.162,601 0.011,602 0.053,603 0.112,604 -0.214,605 0.09,606 0.236,607 0.248,608 0.132,609 0.148,610 0.285,611 0.106,612 -0.095,613 -0.161,614 -0.071,615 -0.116,616 -0.066,617 -0.125,618 0.249,619 -0.263,620 0.085,621 -0.161,622 0.244,623 -0.102,624 -0.242,625 -0.055,626 -0.373,627 -0.238,628 -0.268,629 -0.199,630 0.014,631 0.094,632 -0.01,633 0.024,634 -0.128,635 -0.057,636 0.016,637 0.116,638 0.035,639 0.094,640 -0.048,641 0.088,642 -0.116,643 0.084,644 0.002,645 0.097,646 -0.048,647 0.122,648 1.412,649 2.046,650 0.864,651 17.868,652 0.997,653 1.126,654 2.682,655 7.193,656 0.699,657 3.258,658 3.611,659 3.912,660 4.263,661 4.5,662 4.615,663 4.779,664 4.956,665 4.984,666 5.037,667 5.438,668 0.653,669 311.45,670 3.258,671 4.812,672 5.68,673 6.583,674 7.47,675 8.382,676 9.279,677 10.196,678 11.1,679 12.02,680 12.8,683 1,684 2,690 2,694 2,695 5,696 2,699 1,700 5,702 16,711 2,718 39,719 16,720 1,721 25,723 42,724 16,725 12,726 1,727 5,729 4,730 7,736 1,739 1,741 12,742 4,753 1,754 1,757 17,758 5,759 4,760 6,761 1,764 5,769 0.5,776 1,780 1,781 3,784 2,799 1,802 2,804 1,810 22,811 2,816 4,821 1,825 1,836 10.667,837 6.85,838 4.694,839 2.236,840 3.065,841 1.413,842 1.063,843 3.47,844 10.493,845 3.526,846 4.186,847 4.813,848 5.474,849 5.991,850 6.294,851 6.659,852 7.051,853 7.165,854 7.367,855 1,856 35,857 8.105,859 3.496,860 7.568,861 15.824,863 13.499,865 2.068,866 45.5,867 0.001,870 153.024,871 102.357,872 102.49,876 31.278,877 71.079,878 153.024,879 102.49,881 8.852,882 113.176,883 33.888,884 12.068,885 5.585,886 184.302,888 153.024,889 173.569,891 31.278,893 129.482,894 23.542,897 14.192,898 125.806,899 33.571,900 31.278,901 153.024,902 102.49,903 102.357,906 153.024,907 54.976,908 50.506,910 99.365,911 153.024,912 102.49,913 102.357,915 0.586,916 0.34,917 0.199,918 0.109,919 20,920 8,921 0.048,922 2,923 2,924 1.211,925 3.492,926 181.671,927 0.211,928 19,929 94.107,930 1,933 13.915,934 5.486,935 2.585,936 1.921,937 102.49,938 10.567,939 8.444,942 1.69,943 4.752,945 65.794,946 357.871,947 33,956 38.887,957 43.903,958 0.296,959 0.693,960 0.814,961 0.89,962 0.903,963 0.903,964 4.771,965 1.406,966 5.673,967 4.035,968 4.29,969 4.871,970 1.114,971 6.512,972 4.172,973 5.991,974 1,975 7.239,976 3.034,977 3.892,978 4.745,979 0.325,980 7.427,981 3.703,982 7.312,983 0.573,984 8.904,985 2.136,986 5.9,987 7.144,988 0.897,989 10.583,990 5.674,991 8.669,993 10.629,994 1.503,995 6.312,996 7.876,997 0.504,998 12.387,999 6.021,1000 10.06,1001 -0.219,1002 12.395,1004 7.808,1005 9.762,1006 0.792,1007 15.071,1008 7.484,1009 11.479,1010 -0.495,1011 14.191,1012 -0.597,1013 8.623,1014 10.924,1015 0.585,1016 17.269,1017 8.237,1018 12.92,1019 -0.671,1020 16.012,1021 -1.235,1022 9.913,1023 12.599,1024 0.735,1025 19.797,1026 9.488,1027 3.289,1028 -0.849,1029 17.853,1030 -1.635,1031 10.926,1032 13.971,1033 0.622,1034 22.156,1035 10.44,1036 2.705,1037 11.679,1038 19.71,1039 -2.347,1040 12.137,1041 15.561,1042 0.703,1043 24.634,1044 11.607,1045 2.482,1046 8.203,1047 21.581,1048 4.684,1049 13.242,1050 17.029,1051 0.639,1052 27.055,1053 12.652,1054 2.154,1055 7.362,1056 23.463,1057 3.461,1058 14.428,1059 18.588,1060 0.683,1061 29.518,1062 13.789,1063 2.024,1064 6.21,1065 25.355,1066 3.352,1067 15.576,1068 20.099,1069 0.646,1070 31.961,1071 14.879,1072 1.763,1073 5.938,1074 27.255,1075 2.823,1076 16.756,1077 21.647,1078 0.67,1079 34.42,1080 16.008,1081 1.452,1082 5.366,1083 29.162,1084 2.615,1085 17.924,1086 23.176,1087 0.648,1088 36.872,1089 17.119,1090 4918,1091 7924,1092 17.107,1093 27.245,1094 38.068,1095 37.907,1096 38.45,1097 37.792,1098 37.696,1099 49.951,1100 2.707,1101 110.931,1102 35.418,1103 5.659,1104 5.427,1105 6.728,1106 5.369,1107 5.289,1108 7.684,1109 1.754,1110 18.831,1111 5.116,1112 8.164,1113 1.523,1114 1.516,1115 1.538,1116 1.512,1117 1.508,1118 1.998,1119 0.108,1120 4.437,1121 1.417,1122 4.105,1123 4.129,1124 4.346,1125 4.087,1126 5.302,1127 4.044,1128 3.906,1129 3.94,1130 3.84,1131 3.847,1132 4.981,1133 3.838,1134 3.632,1135 3.704,1136 3.56,1137 3.431,1138 4.757,1139 3.451,1140 3.25,1141 3.321,1142 3.397,1143 3.11,1144 4.615,1145 3.081,1146 3.13,1147 3.205,1148 3.074,1149 3.013,1150 4.222,1151 2.972,1152 3.059,1153 3.173,1154 2.891,1155 2.786,1156 3.875,1157 2.805,1158 2.869,1159 2.961,1160 2.692,1161 2.735,1162 3.721,1163 2.715,1164 2.854,1165 2.925,1166 2.687,1167 2.661,1168 3.674,1169 2.655,1170 0.189,1171 0.137,1172 0.277,1173 0.169,1174 0.132,1175 4.714,1176 0.187,1177 3.427,1178 0.04,1179 6.926,1180 0.467,1181 4.235,1182 0.125,1183 3.289,1184 4.684,1185 0.995,1186 11.679,1187 3.116,1188 1.929,1189 1.895,1190 2.059,1191 2.045,1192 1.325,1193 2.05,1194 1.848,1195 1.816,1196 1.953,1197 1.975,1198 1.122,1199 1.965,1200 1.689,1201 1.656,1202 1.742,1203 1.847,1204 0.892,1205 1.853,1206 1.204,1207 1.154,1208 1.458,1209 1.422,1210 0.694,1211 1.43,1212 1.133,1213 1.069,1214 1.357,1215 1.342,1216 0.635,1217 1.362,1218 0.983,1219 0.889,1220 1.269,1221 1.261,1222 0.268,1223 1.312,1224 0.886,1225 0.821,1226 1.181,1227 1.12,1228 0.218,1229 1.132,1230 0.81,1231 0.724,1232 1.087,1233 1.062,1235 1.107,1236 3.932,1238 5.273,1239 2.398,1240 6.812,1241 4.844,1242 8.447,1243 7.066,1244 10.131,1250 11.752,1252 3.916,1257 2.458,1262 25.455,1263 61.034,1264 142.911,1265 167.766,1266 183.376,1267 186.131,1268 186.131,1269 24.489,1270 7.428,1271 81.06,1272 109.3,1273 23,1274 12.532,1275 4.087,1276 3.17,1277 30.006,1278 73,1279 70,1280 0.211,1281 159.285,1282 258.25,1283 380.415,1284 16069,1286 15.104,1287 0.687,1288 0.588,1289 15.458,1290 12.936,1291 10.704,1292 0.428,1293 0.325,1294 7.291,1295 9.964,1296 7.056,1297 5.808,1298 11.112,1299 8.117,1300 9.97,1301 0.277,1302 0.186,1303 10.612,1304 6.681,1305 8.322,1306 0.17,1307 0.106,1308 9.079,1309 5.184,1310 7.711,1311 0.11,1312 0.062,1313 8.769,1314 4.347,1315 6.136,1316 0.069,1317 0.035,1318 7.057,1319 3.125,1320 0.326,1321 70.31,1322 0.242,1323 21.572,1324 0.591,1325 122,1326 298.42,1327 156.644,1328 321.294,1329 452.63,1330 302,1331 146,1332 330.179,1333 178.155,1334 354.69,1335 524.34,1336 334,1337 6.244}
{0 CHEMBL317618,1 1.57,2 7,3 0.104,4 0.011,5 62.26,6 8.741,7 0.842,8 3.439,9 3.587,10 3.128,11 2.902,12 4.738,13 2.952,14 3.849,15 4.015,16 3.498,17 3.255,18 5.183,19 3.286,20 3.973,21 4.17,22 3.447,23 3.27,24 5.206,25 3.284,26 3.951,27 4.167,28 3.322,29 3.167,30 5.258,31 3.161,32 3.888,33 4.148,34 3.008,35 3.029,36 5.015,37 2.977,38 3.604,39 3.846,40 2.831,41 2.817,42 4.716,43 2.777,44 3.408,45 3.639,46 2.637,47 2.587,48 4.66,49 2.553,50 3.284,51 3.569,52 2.161,53 2.248,54 4.481,55 2.144,56 0.104,57 0.486,58 4.065,59 1.396,60 11.745,61 1.714,62 0.208,63 0.704,64 6.66,65 2.675,66 18.19,67 3.426,68 0.242,69 0.727,70 8.49,71 2.664,72 19.547,73 3.561,74 0.272,75 0.662,76 8.775,77 2.684,78 27.245,79 3.668,80 0.291,81 0.55,82 10.06,83 2.663,84 28.349,85 3.824,86 0.155,87 0.435,88 7.304,89 2.189,90 14.923,91 3.204,92 0.14,93 0.354,94 5.452,95 1.586,96 13.544,97 2.262,98 0.159,99 0.251,100 5.847,101 1.5,102 18.114,103 2.31,104 5,105 27,106 0.304,107 0.659,108 0.79,109 0.82,110 0.82,111 0.82,112 2.91,113 0.778,114 -2.66,115 -2.68,116 -2.61,119 38.5,139 2,140 1,142 2,144 1,146 1,147 1,149 1,155 1,157 2,158 2,159 2,166 2,169 2,170 3,172 3,173 4,175 1,178 1,182 3,185 2,186 1,187 2,188 1,192 1,193 1,195 3,196 3,197 1,200 2,205 1,206 1,207 3,210 1,211 1,212 1,214 1,218 1,221 2,226 3,231 3,233 1,239 2,243 2,245 1,248 1,249 1,262 1,263 1,273 260,274 11.516,275 11.516,276 11.516,277 11.516,278 11.516,279 9.621,280 6.325,281 6.809,282 11.873,283 9.41,284 9.41,285 9.41,286 9.41,287 9.41,288 6.601,289 7.5,290 3.278,291 10.006,292 3.131,293 1.293,294 0.615,295 0.462,296 0.462,297 0.462,298 3.585,301 1,302 1,303 259,304 1.732,306 29.593,307 86.35,310 58.136,314 1.059,315 15.873,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 37.5,327 119,328 4.603,329 3.175,330 6.573,331 4.096,332 3.153,333 4.562,335 10.47,336 2.973,337 4.076,338 2.721,339 6.042,340 3.664,341 2.697,342 3.661,344 8.671,345 2.609,346 3.556,347 2.227,348 5.067,349 3.056,350 2.137,351 3,353 5.963,354 1.958,355 3.399,356 2.055,357 5.017,358 2.903,359 1.98,360 2.767,362 5.793,363 1.825,364 3.116,365 1.67,366 4.367,367 2.593,368 1.661,369 2.385,371 4.162,372 1.544,373 2.54,374 1.059,375 3.654,376 1.984,377 1.049,378 1.56,380 2.6,381 0.983,382 2.5,383 1,384 3.483,385 1.98,386 1,387 1.5,389 2.136,390 0.974,391 2.183,392 0.817,393 3.247,394 1.66,395 0.754,396 1.054,398 2.111,399 0.683,400 1.124,401 -0.195,402 2.7,403 0.636,404 -0.273,405 -0.37,407 -0.748,408 -0.248,409 0.755,410 -0.34,411 2.393,412 0.355,413 -0.55,414 -0.657,415 -1.319,416 -0.498,417 0.732,418 -0.668,419 2.36,420 0.288,421 -0.68,422 -0.919,423 -1.578,424 -0.658,425 0.5,426 -1,427 1.566,428 -0.049,429 -1,430 -1.5,431 -2.347,432 -0.946,433 0.172,434 -1.098,435 1.555,436 -0.237,437 -1.165,438 -1.622,439 -3.448,440 -1.076,441 0.051,442 -1.301,443 1.446,444 -0.415,445 -1.36,446 -1.861,448 -3.77,449 -1.269,450 -0.233,451 -1.473,452 1.303,453 -0.619,454 -1.544,455 -2.069,457 -4.707,458 -1.435,459 7.8,460 0.459,461 0.435,462 0.026,463 27.5,464 1.618,465 15,466 0.882,467 12.5,468 0.735,469 8.157,470 0.48,471 17.4,472 0.669,473 16.542,474 0.973,475 5.476,476 0.322,477 2.761,478 0.162,479 0.103,481 0.385,485 1.273,486 1.385,487 0.733,488 0.849,489 1.388,490 0.696,491 0.581,492 1.017,493 0.634,494 0.962,495 0.481,496 0.839,497 1.081,498 1.171,499 0.958,500 1.033,501 0.964,502 0.978,503 0.981,504 1.057,505 1.085,506 1.137,507 0.809,508 1.136,509 1.153,510 0.686,511 1.204,512 0.845,513 1.208,514 1.001,515 1.002,516 1.119,517 0.962,518 1.053,519 0.847,520 1.008,521 1.136,522 1.207,523 1.198,524 1.249,525 1.249,526 1.24,527 1.011,528 0.923,529 1.332,530 1.247,531 1.469,532 1.345,533 3.5,535 1.778,536 1.257,537 0.966,538 0.476,539 0.209,540 0.129,541 0.057,542 0.016,543 2332,544 7417,545 2.127,546 34.6,548 2,550 2,551 5,555 1.571,556 2,557 2.839,558 3.174,564 40.811,565 1.57,566 3.408,567 4.085,568 4.239,569 4.239,570 4.239,571 2.257,572 3.264,573 4.061,574 2.904,575 394.929,576 6.871,577 3462.86,579 1,582 122.211,583 1.379,584 4.023,585 0.184,587 0.066,588 0.05,589 0.046,590 0.032,591 0.016,592 0.013,593 0.011,594 0.016,595 0.434,596 0.5,597 1,598 0.604,599 69.089,600 -0.389,601 -0.211,602 -0.026,603 0.089,604 -0.469,605 0.114,606 0.309,607 0.115,608 0.138,609 -0.001,610 0.263,611 0.022,612 -0.125,613 -0.12,614 -0.105,615 -0.102,616 -0.151,617 -0.099,618 0.024,619 -0.049,620 -0.178,621 -0.222,622 0.154,623 -0.244,624 -0.148,625 0.215,626 -0.165,627 0.112,628 -0.207,629 -0.004,630 -0.132,631 -0.222,632 0.052,633 -0.027,634 0.028,635 0.042,636 -0.176,637 -0.269,638 -0.23,639 -0.298,640 -0.14,641 -0.281,642 0.034,643 -0.128,644 -0.187,645 -0.297,646 -0.14,647 -0.296,648 1.553,649 1.734,650 0.882,651 9.806,652 1.023,653 1.15,654 1.43,655 2.044,656 0.685,657 2.996,658 3.332,659 3.611,660 3.912,661 4.111,662 4.19,663 4.234,664 4.304,665 4.22,666 4.043,667 4.22,668 0.68,669 227.26,670 2.996,671 4.533,672 5.389,673 6.279,674 7.155,675 8.052,676 8.938,677 9.838,678 10.728,679 11.63,680 26.9,684 2,688 1,690 4,694 2,695 4,696 4,697 1,700 4,702 16,711 2,718 26,719 16,721 19,723 28,724 10,725 10,729 3,730 4,741 10,754 1,757 9,758 6,759 5,760 7,763 1,764 7,769 0.667,775 1,776 1,780 1,781 2,784 1,802 2,810 17,811 2,836 8.5,837 4.55,838 3.667,839 1.301,840 3.131,841 1.485,842 1.067,843 2.162,844 9.583,845 3.332,846 4.021,847 4.681,848 5.351,849 5.91,850 6.29,851 6.708,852 7.15,853 7.366,854 7.575,855 0.8,856 25,857 6.172,859 2.634,860 7.882,861 11.418,863 9.15,865 2.382,866 40.5,867 0.001,870 47.084,871 50.647,872 149.722,877 50.647,878 47.084,879 149.722,882 84.747,883 93.012,884 39.781,885 6.371,886 23.542,888 47.084,889 200.369,893 48.8,897 39.107,898 92.405,899 67.142,901 47.084,902 149.722,903 50.647,906 47.084,907 13.6,908 37.047,909 16.786,910 132.936,911 47.084,912 149.722,913 50.647,915 0.585,916 0.339,917 0.192,918 0.105,919 15,920 6,921 0.036,922 1,923 1,924 1.133,925 2.966,926 123.273,927 0.133,928 15,929 65.487,933 9.991,934 3.679,935 1.684,936 1.049,937 132.936,938 7.049,939 16.133,940 3.063,943 1.966,945 82.58,946 247.454,947 27,956 26.596,957 29.903,958 0.334,959 0.725,960 0.869,961 0.902,962 0.902,963 0.902,964 4.543,965 0.754,966 5.38,967 2.136,968 4.007,969 4.705,971 6.201,972 3.888,973 5.784,974 -0.273,975 6.94,976 2.111,977 3.611,978 4.559,980 7.081,981 3.445,982 7.107,983 -0.55,984 8.6,985 -0.748,986 5.602,987 7.019,989 10.205,990 5.375,991 8.469,992 -0.68,993 10.318,994 -1.319,995 6.019,996 7.72,998 11.92,999 5.747,1000 9.863,1001 -1,1002 12.074,1003 -1.578,1004 7.496,1005 9.636,1007 14.548,1008 7.168,1009 11.281,1010 -1.165,1011 13.856,1012 -2.347,1013 8.295,1014 10.754,1016 16.613,1017 7.918,1018 12.719,1019 -1.36,1020 15.656,1021 -3.448,1022 9.563,1023 12.435,1025 19.06,1026 9.131,1027 3.153,1028 -1.544,1029 17.471,1030 -3.77,1031 10.544,1032 13.762,1034 21.277,1035 10.058,1036 2.697,1037 10.47,1038 19.297,1039 -4.707,1040 11.728,1041 15.343,1043 23.655,1044 11.185,1045 2.137,1046 8.671,1047 21.131,1048 4.562,1049 12.794,1050 16.769,1052 25.939,1053 12.192,1054 1.98,1055 5.963,1056 22.972,1057 3.661,1058 13.945,1059 18.309,1061 28.293,1062 13.286,1063 1.661,1064 5.793,1065 24.819,1066 3,1067 15.05,1068 19.783,1070 30.607,1071 14.331,1072 1.049,1073 4.162,1074 26.67,1075 2.767,1076 16.192,1077 21.306,1079 32.953,1080 15.413,1081 1,1082 2.6,1083 28.525,1084 2.385,1085 17.315,1086 22.802,1088 35.282,1089 16.475,1090 2282,1091 4167,1092 12.83,1093 17.801,1094 29.214,1095 28.774,1096 29.427,1097 28.879,1098 28.861,1099 40.979,1101 83.809,1102 27.097,1103 5.244,1104 5.175,1105 6.375,1106 5.169,1107 5.153,1108 7.562,1110 17.409,1111 4.91,1112 6.663,1113 1.538,1114 1.514,1115 1.549,1116 1.52,1117 1.519,1118 2.157,1120 4.411,1121 1.426,1122 4.101,1123 4.155,1124 4.083,1125 3.93,1126 5.347,1127 3.961,1128 3.8,1129 3.848,1130 3.748,1131 3.67,1132 4.992,1133 3.686,1134 3.346,1135 3.44,1136 3.288,1137 3.05,1138 4.944,1139 3.102,1140 3.073,1141 3.197,1142 2.957,1143 2.74,1144 4.771,1145 2.783,1146 2.854,1147 2.925,1148 2.687,1149 2.735,1150 4.132,1151 2.715,1152 2.708,1153 2.801,1154 2.621,1155 2.479,1156 3.806,1157 2.507,1158 2.51,1159 2.64,1160 2.337,1161 2.101,1162 3.674,1163 2.142,1164 2.318,1165 2.462,1166 2.083,1167 1.872,1168 3.651,1169 1.9,1170 0.242,1171 0.167,1172 0.346,1173 0.216,1174 0.166,1175 4.603,1176 0.24,1177 3.175,1179 6.573,1180 0.551,1181 4.096,1182 0.156,1183 3.153,1184 4.562,1186 10.47,1187 2.973,1188 1.852,1189 1.814,1190 1.95,1191 2.014,1192 0.998,1193 1.986,1194 1.782,1195 1.734,1196 1.824,1197 1.967,1198 0.832,1199 1.944,1200 1.251,1201 1.174,1202 1.378,1203 1.559,1204 0.267,1205 1.516,1206 0.966,1207 0.872,1208 1.213,1209 1.329,1210 0.218,1211 1.308,1212 0.886,1213 0.821,1214 1.181,1215 1.241,1217 1.216,1218 0.829,1219 0.706,1220 1.117,1221 1.062,1223 1.107,1224 0.472,1225 0.373,1226 0.767,1227 0.769,1229 0.775,1230 0.174,1231 0.012,1232 0.47,1233 0.613,1235 0.584,1236 3.664,1238 4.99,1239 2.398,1240 6.515,1241 4.727,1242 8.13,1243 6.862,1244 9.793,1250 11.24,1262 17.677,1263 40.811,1264 88.602,1265 106.211,1266 110.211,1267 110.211,1268 110.211,1269 16.656,1270 6.452,1271 119.39,1272 119.39,1273 17,1274 12.153,1275 4.087,1276 3.17,1277 23.691,1278 44,1279 38,1280 0.286,1281 111.582,1282 170.3,1283 264.02,1284 4430,1286 11.828,1287 0.696,1288 0.515,1289 11.828,1290 8.753,1291 8.237,1292 0.434,1293 0.259,1294 4.831,1295 7.842,1296 4.77,1297 3.96,1298 8.237,1299 4.929,1300 7.607,1301 0.282,1302 0.129,1303 7.607,1304 3.487,1305 6.313,1306 0.175,1307 0.065,1308 6.313,1309 2.35,1310 5.583,1311 0.114,1312 0.032,1313 5.583,1314 1.583,1315 4.262,1316 0.071,1317 0.016,1318 4.262,1319 0.97,1320 0.427,1321 52.133,1322 0.279,1323 16.832,1324 0.847,1325 92,1326 285.538,1327 103.989,1328 284.875,1329 399.12,1330 266,1331 109,1332 310.507,1333 120.934,1334 314.443,1335 460.42,1336 296,1337 4.745}
{0 CHEMBL318601,1 1.808,2 7.105,3 2.583,4 6.673,5 74.026,6 10.931,7 0.762,8 3.479,9 3.601,10 3.343,11 3.047,12 4.783,13 3.07,14 3.902,15 4.031,16 3.792,17 3.439,18 5.271,19 3.44,20 4.075,21 4.228,22 3.893,23 3.521,24 5.384,25 3.5,26 4.061,27 4.215,28 4.024,29 3.423,30 5.558,31 3.4,32 3.949,33 4.147,34 3.478,35 3.269,36 5.175,37 3.196,38 3.685,39 3.886,40 3.376,41 3.039,42 4.913,43 2.992,44 3.549,45 3.71,46 3.493,47 2.927,48 5.045,49 2.892,50 3.407,51 3.605,52 2.77,53 2.589,54 4.79,55 2.462,56 0.146,57 0.467,58 1.951,59 1.625,60 14.971,61 1.314,62 0.242,63 0.688,64 3.672,65 3.02,66 18.911,67 3.29,68 0.354,69 0.719,70 8.705,71 3.719,72 28.454,73 3.515,74 0.473,75 0.658,76 13.446,77 3.637,78 40.256,79 3.388,80 0.392,81 0.553,82 12.685,83 3.542,84 37.325,85 3.184,86 0.261,87 0.439,88 7.444,89 2.843,90 22.93,91 3.184,92 0.253,93 0.35,94 5.858,95 2.321,96 24.527,97 2.415,98 0.262,99 0.272,100 9.767,101 2.28,102 26.962,103 2.213,104 17,105 31,106 0.347,107 0.686,108 0.779,109 0.827,110 0.827,111 0.827,112 3.012,113 0.864,114 -4.53,115 -4.46,116 -4.2,119 40.7,139 3,140 1,141 2,144 1,146 1,147 1,149 1,155 1,157 2,158 2,159 2,166 2,169 2,170 1,172 3,173 4,175 1,178 7,185 2,186 1,188 1,189 3,192 1,193 5,195 3,196 3,197 1,198 4,200 2,201 3,205 1,207 2,211 1,212 2,214 1,218 1,221 4,226 1,231 1,234 5,239 4,243 4,246 1,251 5,256 5,265 1,270 1,273 374,274 12.516,275 12.516,276 12.516,277 12.516,278 12.516,279 10.516,280 9.527,281 7.139,282 13.02,283 10.35,284 10.35,285 10.35,286 10.35,287 10.35,288 7.382,289 9.423,290 3.38,291 11.307,292 2.947,293 1.181,294 0.695,295 0.444,296 0.444,297 0.444,298 3.683,299 2,301 1,302 1,303 289,304 2,306 32.946,307 99.38,310 65.356,314 1.058,315 21.932,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 41.667,327 135,328 4.638,329 3.402,330 6.767,331 4.154,332 3.216,333 4.579,335 11.049,336 3.003,337 4.349,338 3.094,339 6.455,340 3.877,341 2.944,342 4.05,344 9.948,345 2.721,346 3.639,347 2.623,348 5.218,349 3.135,350 2.231,351 3.095,353 6.338,354 2.006,355 3.413,356 2.365,357 5.028,358 2.936,359 2.015,360 2.775,362 5.845,363 1.849,364 3.232,365 2.133,366 4.854,367 2.707,368 1.879,369 2.481,371 5.11,372 1.627,373 3.156,374 1.814,375 4.841,376 2.677,377 1.735,378 2.422,380 5.104,381 1.441,382 2.642,383 1.3,384 3.793,385 2.116,386 1.167,387 1.708,389 2.795,390 1.082,391 2.19,392 0.862,393 3.646,394 1.67,395 0.768,396 1.065,398 2.138,399 0.691,400 1.258,401 0.551,402 2.801,403 0.789,404 -0.029,405 -0.036,407 -0.078,408 -0.02,409 1.036,410 0.173,411 2.623,412 0.553,413 -0.333,414 -0.442,415 -0.757,416 -0.229,417 1,418 -0.21,419 2.36,420 0.473,421 -0.347,422 -0.445,423 -0.907,424 -0.287,425 0.752,426 -0.341,427 2.352,428 0.355,429 -0.55,430 -0.658,431 -1.325,432 -0.498,433 0.172,434 -0.878,435 2,436 -0.233,437 -1.153,438 -1.476,439 -3.072,440 -0.899,441 0.055,442 -1.101,443 1.523,444 -0.412,445 -1.231,446 -1.645,448 -3.47,449 -1.079,450 0.038,451 -1.235,452 1.427,453 -0.511,454 -1.361,455 -1.873,457 -3.788,458 -1.212,459 9.329,460 0.491,461 0.613,462 0.032,463 28.5,464 1.5,465 15,466 0.789,467 13.5,468 0.711,469 12.221,470 0.643,471 19.471,472 0.721,473 18.218,474 0.959,475 5.571,476 0.293,477 3.487,478 0.184,479 0.239,481 0.429,485 1.023,486 1.217,487 0.511,488 0.566,489 1.18,490 0.551,491 0.539,492 0.956,493 0.516,494 0.732,495 0.466,496 0.721,497 1.159,498 1.114,499 0.981,500 0.864,501 1.058,502 0.861,503 0.824,504 1.031,505 0.991,506 1.129,507 0.746,508 1.064,509 1.54,510 0.81,511 1.384,512 0.949,513 1.525,514 1.078,515 0.759,516 0.994,517 0.679,518 0.838,519 0.739,520 0.845,521 0.732,522 1.252,523 0.919,524 1.171,525 0.71,526 1.013,527 1.395,528 1.113,529 1.837,530 1.798,531 1.476,532 1.781,533 4.5,535 2.444,536 2.257,537 1.188,538 0.747,539 0.343,540 0.273,541 0.057,542 0.016,543 2938,544 11645,545 2.05,546 29.6,548 3,551 5,555 1.607,556 1.869,557 2.825,558 3.047,562 1,564 48.818,565 1.808,566 3.574,567 4.06,568 4.31,569 4.31,570 4.31,571 2.187,572 3.406,573 4.224,574 2.927,575 500.599,576 7.213,577 4774.79,578 1,579 1,581 1,582 128.382,583 1.529,584 4.153,585 0.214,587 0.079,588 0.073,589 0.042,590 0.039,591 0.02,592 0.017,593 0.008,594 0.016,595 0.509,596 0.33,597 1,598 0.697,599 80.314,600 -0.324,601 -0.048,602 -0.04,603 0.176,604 -0.426,605 0.151,606 0.21,607 0.161,608 0.079,609 0.078,610 0.21,611 0.062,612 -0.219,613 -0.084,614 -0.094,615 0.033,616 -0.214,617 -0.011,618 0.281,619 -0.026,620 0.087,621 -0.204,622 0.3,623 -0.216,624 -0.5,625 0.13,626 -0.319,627 0.045,628 -0.504,629 -0.095,630 0.114,631 -0.07,632 0.204,633 0.155,634 0.124,635 0.214,636 0.328,637 -0.328,638 0.215,639 -0.168,640 0.42,641 -0.04,642 -0.239,643 -0.281,644 -0.523,645 -0.719,646 -0.17,647 -0.709,648 1.603,649 2.015,650 0.789,651 11.352,652 1.038,653 1.137,654 3.301,655 10.896,656 0.751,657 3.091,658 3.466,659 3.761,660 4.078,661 4.234,662 4.369,663 4.443,664 4.5,665 4.431,666 4.344,667 4.374,668 0.735,669 295.15,670 3.091,671 4.654,672 5.525,673 6.435,674 7.322,675 8.236,676 9.13,677 10.046,678 10.944,679 11.86,680 22.2,684 2,688 1,690 3,694 2,695 3,696 3,697 1,700 6,702 16,711 2,717 2,718 27,719 16,720 1,721 21,723 29,724 11,725 11,726 3,727 3,729 3,730 4,731 2,741 11,754 1,757 8,758 5,759 5,760 8,761 2,763 1,764 6,769 0.667,776 1,780 1,781 2,784 1,802 2,807 2,810 19,811 2,828 2,836 10.167,837 4.802,838 4.056,839 1.364,840 3.227,841 1.482,842 1.054,843 2.969,844 9.921,845 3.401,846 4.123,847 4.786,848 5.462,849 5.998,850 6.421,851 6.841,852 7.273,853 7.513,854 7.794,855 0.8,856 31,857 6.911,859 2.999,860 7.977,861 12.669,863 10.297,865 2.477,866 47.056,870 35.313,871 49.03,872 132.936,873 78.297,877 49.03,878 113.611,879 132.936,882 94.223,883 52.685,884 28.688,885 6.371,886 35.313,887 78.297,888 35.313,889 181.966,891 78.297,893 37.029,897 21.013,898 108.882,899 128.654,901 35.313,902 132.936,903 127.327,906 35.313,907 20.601,908 28.429,909 16.786,910 194.448,911 35.313,912 132.936,913 127.327,915 0.598,916 0.356,917 0.201,918 0.1,919 17,920 8,921 0.034,922 1,923 1,924 1.133,925 3.033,926 147.101,927 0.133,928 15,929 74.711,933 12.474,934 4.523,935 2.097,936 0.871,937 116.151,938 5.196,939 12.152,940 3.003,943 2.3,945 82.58,946 295.577,947 29,956 28.025,957 30.708,958 0.38,959 0.752,960 0.854,961 0.907,962 0.907,963 0.907,964 4.644,965 0.768,966 5.549,967 2.795,968 4.143,969 4.808,971 6.415,972 3.967,973 5.911,974 -0.029,975 7.146,976 2.138,977 3.892,978 4.808,980 7.405,981 3.588,982 7.257,983 -0.333,984 8.841,985 -0.078,986 5.79,987 7.155,989 10.538,990 5.476,991 8.64,992 -0.347,993 10.591,994 -0.757,995 6.312,996 7.947,998 12.349,999 5.885,1000 10.052,1001 -0.55,1002 12.377,1003 -0.907,1004 7.738,1005 9.798,1007 15.006,1008 7.294,1009 11.487,1010 -1.153,1011 14.189,1012 -1.325,1013 8.613,1014 10.967,1016 17.155,1017 8.07,1018 12.938,1019 -1.231,1020 16.019,1021 -3.072,1022 9.863,1023 12.615,1025 19.64,1026 9.285,1027 3.216,1028 -1.361,1029 17.865,1030 -3.47,1031 10.894,1032 13.965,1034 21.927,1035 10.228,1036 2.944,1037 11.049,1038 19.723,1039 -3.788,1040 12.078,1041 15.528,1043 24.347,1044 11.363,1045 2.231,1046 9.948,1047 21.589,1048 4.579,1049 13.177,1050 16.961,1052 26.69,1053 12.382,1054 2.015,1055 6.338,1056 23.462,1057 4.05,1058 14.337,1059 18.489,1061 29.087,1062 13.485,1063 1.879,1064 5.845,1065 25.341,1066 3.095,1067 15.466,1068 19.962,1070 31.454,1071 14.539,1072 1.735,1073 5.11,1074 27.224,1075 2.775,1076 16.619,1077 21.477,1079 33.843,1080 15.629,1081 1.167,1082 5.104,1083 29.111,1084 2.481,1085 17.761,1086 22.969,1088 36.222,1089 16.7,1090 2922,1091 5917,1092 13.641,1093 20.273,1094 32.422,1095 32.925,1096 33.967,1097 32.219,1098 31.908,1099 44.353,1101 96.656,1102 28.841,1103 5.306,1104 5.402,1105 6.312,1106 5.227,1107 5.216,1108 7.579,1110 18.075,1111 5.003,1112 10.116,1113 1.544,1114 1.568,1115 1.617,1116 1.534,1117 1.519,1118 2.112,1120 4.603,1121 1.373,1122 4.107,1123 4.156,1124 4.165,1125 3.965,1126 5.348,1127 3.984,1128 3.842,1129 3.866,1130 3.96,1131 3.751,1132 5.036,1133 3.762,1134 3.359,1135 3.449,1136 3.582,1137 3.093,1138 4.98,1139 3.135,1140 3.076,1141 3.199,1142 3.307,1143 2.849,1144 4.792,1145 2.815,1146 2.901,1147 2.918,1148 3.063,1149 2.771,1150 4.632,1151 2.8,1152 2.805,1153 2.86,1154 2.956,1155 2.648,1156 4.115,1157 2.66,1158 2.543,1159 2.673,1160 2.518,1161 2.165,1162 4.113,1163 2.194,1164 2.329,1165 2.47,1166 2.248,1167 1.904,1168 3.802,1169 1.928,1170 0.221,1171 0.162,1172 0.322,1173 0.198,1174 0.153,1175 4.638,1176 0.218,1177 3.402,1179 6.767,1180 0.526,1181 4.154,1182 0.143,1183 3.216,1184 4.579,1186 11.049,1187 3.003,1188 1.894,1189 1.879,1190 1.941,1191 2.011,1192 1.087,1193 1.982,1194 1.785,1195 1.737,1196 1.825,1197 1.951,1198 0.84,1199 1.943,1200 1.301,1201 1.235,1202 1.419,1203 1.572,1204 0.397,1205 1.538,1206 0.981,1207 0.888,1208 1.236,1209 1.336,1210 0.105,1211 1.318,1212 0.849,1213 0.827,1214 1.12,1215 1.241,1217 1.216,1218 0.835,1219 0.724,1220 1,1221 0.962,1223 1.004,1224 0.607,1225 0.539,1226 0.762,1227 0.8,1229 0.823,1230 0.175,1231 0.013,1232 0.462,1233 0.613,1235 0.584,1236 3.761,1238 5.118,1239 2.398,1240 6.668,1241 4.727,1242 8.314,1243 6.862,1244 10.006,1247 12.253,1250 11.28,1262 19.837,1263 48.818,1264 96.508,1265 109.627,1266 116.382,1267 116.382,1268 116.382,1269 25.418,1270 6.695,1271 106.5,1272 106.5,1273 17,1274 12.375,1275 4.087,1276 3.17,1277 27.665,1278 50,1279 44,1280 0.287,1281 131.046,1282 207.02,1283 311.512,1284 5974,1285 7.4,1286 13.569,1287 0.714,1288 0.579,1289 14.569,1290 10.996,1291 9.059,1292 0.431,1293 0.288,1294 5.27,1295 8.157,1296 5.127,1297 4.213,1298 9.636,1299 6.047,1300 8.672,1301 0.28,1302 0.15,1303 9.414,1304 4.662,1305 7.173,1306 0.171,1307 0.077,1308 7.847,1309 3.226,1310 6.543,1311 0.113,1312 0.041,1313 7.396,1314 2.355,1315 4.573,1316 0.067,1317 0.019,1318 4.944,1319 1.289,1320 0.427,1321 62.913,1322 0.271,1323 18.436,1324 0.861,1325 104,1326 334.299,1327 145.641,1328 391.775,1329 521.72,1330 362,1331 125,1332 352.12,1333 159.023,1334 376.054,1335 556.48,1336 354,1337 4.959}
{0 CHEMBL31891,1 1.795,2 8.05,3 2.308,4 5.329,5 82.669,6 9.692,7 0.571,8 3.668,9 3.788,10 3.444,11 3.154,12 4.887,13 3.152,14 4.132,15 4.299,16 3.84,17 3.504,18 5.306,19 3.478,20 4.231,21 4.364,22 4.171,23 3.658,24 5.409,25 3.618,26 4.385,27 4.581,28 3.957,29 3.702,30 5.503,31 3.585,32 4.421,33 4.639,34 3.639,35 3.618,36 5.424,37 3.485,38 4.261,39 4.464,40 3.495,41 3.433,42 5.311,43 3.337,44 4.244,45 4.512,46 3.628,47 3.311,48 5.318,49 3.192,50 3.972,51 4.194,52 3.695,53 3.087,54 5.12,55 2.986,56 0.098,57 0.514,58 4.897,59 2.868,60 11.453,61 3.441,62 0.338,63 0.734,64 13.038,65 5.135,66 27.33,67 5.972,68 0.291,69 0.845,70 15.755,71 5.652,72 19.562,73 6.39,74 0.381,75 0.905,76 24.102,77 7.222,78 35.323,79 8.809,80 0.429,81 0.846,82 42.528,83 7.932,84 36.498,85 9.304,86 0.359,87 0.746,88 21.852,89 5.672,90 30.974,91 6.844,92 0.506,93 0.658,94 21.236,95 5.946,96 38.545,97 8.178,98 0.299,99 0.539,100 20.858,101 3.922,102 25.187,103 5.163,104 30,105 29,106 0.333,107 0.682,108 0.763,109 0.784,110 0.784,111 0.784,112 3.058,113 0.945,114 -3.38,115 -3.36,116 -3.22,117 1,119 37.1,121 1,124 2,139 2,140 2,141 3,142 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 4,172 3,173 3,175 1,178 4,180 1,182 6,187 1,189 4,191 1,192 1,193 6,195 1,196 1,197 1,198 2,200 2,201 1,204 2,205 1,207 6,212 3,215 1,218 3,226 1,229 1,231 1,233 4,236 2,237 2,239 2,243 2,246 2,251 1,256 1,262 2,263 2,273 478,274 13.257,275 13.257,276 13.257,277 13.257,278 13.257,279 11.651,280 19.546,281 7.636,282 13.89,283 10.194,284 10.194,285 10.194,286 10.194,287 10.194,288 7.733,289 26.722,290 3.438,291 11.115,292 3.335,293 1.45,294 1.015,295 0.9,296 0.9,297 0.9,298 3.711,300 1,301 1,302 1,303 327,304 2.55,307 134.953,314 1.16,315 19.022,317 1,318 1,319 1,320 1,321 1,323 1,324 1,325 0.86,326 43.75,327 161,328 4.409,329 3.423,330 6.431,331 3.978,332 3.046,333 4.097,334 0.86,335 9.855,336 2.856,337 4.225,338 3.081,339 6.085,340 3.793,341 2.85,342 3.873,343 0.86,344 8.822,345 2.652,346 3.586,347 2.555,348 5.257,349 3.2,350 2.263,351 2.919,352 0.68,353 6.62,354 2.081,355 3.355,356 2.538,357 5.19,358 2.972,359 2.061,360 2.652,362 6.118,363 1.867,364 3.352,365 2.174,366 4.917,367 2.923,368 1.987,369 2.604,371 5.628,372 1.838,373 2.821,374 1.859,375 4.136,376 2.346,377 1.414,378 1.95,380 3.658,381 1.312,382 1.982,383 1.549,384 3.506,385 1.637,386 0.896,387 0.946,389 1.805,390 0.588,391 1.618,392 0.916,393 2.989,394 1.33,395 0.398,396 0.469,398 0.885,399 0.366,400 1.576,401 0.807,402 2.859,403 1.27,404 0.396,405 0.452,407 0.603,408 0.342,409 1.139,410 0.489,411 2.359,412 0.769,413 -0.079,414 -0.091,415 -0.142,416 -0.055,417 0.798,418 -0.26,419 2.332,420 0.393,421 -0.514,422 -0.621,423 -1.242,424 -0.465,425 0.65,426 -0.314,427 2.294,428 0.24,429 -0.654,430 -0.762,431 -1.622,432 -0.524,433 0.553,434 -0.339,435 1.907,436 0.222,437 -0.694,438 -0.878,439 -1.641,440 -0.637,441 0.08,442 -0.806,443 1.387,444 -0.269,445 -1.178,446 -1.463,448 -3.168,449 -0.973,450 -0.116,451 -0.907,452 1.352,453 -0.536,454 -1.414,455 -1.675,457 -3.903,458 -1.13,459 10.1,460 0.505,461 0.541,462 0.027,463 27,464 1.35,465 14,466 0.7,467 13,468 0.65,469 15.583,470 0.779,471 21.7,472 0.62,473 17.263,474 0.863,475 5.386,476 0.269,477 4.159,478 0.208,479 0.31,481 0.347,485 1.025,486 1.299,487 0.504,488 0.852,489 1.224,490 0.847,491 1.173,492 0.68,493 0.578,494 0.584,495 0.745,496 0.627,497 0.985,498 1.3,499 0.929,500 1.142,501 0.913,502 1.058,503 0.722,504 1.052,505 1.12,506 1.145,507 0.862,508 1.183,509 1.219,510 1.026,511 1.608,512 1.311,513 1.057,514 1.183,515 1.38,516 1.174,517 0.928,518 1.097,519 1.31,520 1.193,521 0.467,522 0.795,523 0.487,524 0.643,525 0.39,526 0.714,527 1.081,528 1.45,529 1.243,530 1.312,531 1.081,532 1.162,533 5,535 2.444,536 1.813,537 1.338,538 0.528,539 0.507,540 0.326,541 0.164,542 0.123,543 3301,544 11821,545 1.938,546 42.9,547 2,548 8,550 1,551 4,555 1.62,556 1.765,557 3.013,558 2.026,560 1,562 1,564 62.816,565 1.795,566 3.679,567 4.115,568 4.229,569 4.229,570 4.229,571 2.441,572 3.784,573 4.296,574 3.138,575 596.265,576 7.351,577 6093.63,578 1,579 1,581 1,582 179.525,583 1.559,584 4.219,585 0.238,587 0.084,588 0.058,589 0.051,590 0.024,591 0.027,592 0.017,593 0.012,594 0.02,595 0.532,596 0.17,597 1,598 1.048,599 87.987,600 -0.162,601 -0.075,602 -0.006,603 -0.008,604 -0.276,605 0.028,606 -0.047,607 0.383,608 0.06,609 0.303,610 0.139,611 0.29,612 -0.039,613 -0.162,614 0.052,615 -0.14,616 -0.101,617 -0.125,618 0.075,619 -0.013,620 -0.07,621 -0.127,622 0.017,623 -0.198,624 -0.226,625 -0.113,626 -0.232,627 -0.188,628 -0.153,629 -0.153,630 -0.298,631 -0.195,632 -0.132,633 -0.188,634 -0.331,635 -0.263,636 0.503,637 0.045,638 0.164,639 0.23,640 0.525,641 0.286,642 -0.025,643 -0.521,644 0.044,645 -0.265,646 0.007,647 -0.182,648 1.503,649 1.837,650 0.6,651 13.7,652 1.017,653 1.136,654 2.149,655 4.619,656 0.682,657 3.091,658 3.401,659 3.638,660 3.829,661 4.007,662 3.951,663 3.989,664 3.97,665 3.932,666 3.892,667 4.962,668 0.649,669 339.22,670 3.091,671 4.615,672 5.451,673 6.319,674 7.172,675 8.042,676 8.902,677 9.771,678 10.634,679 11.503,680 11.4,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 2,717 1,718 35,719 12,720 1,721 21,722 1,723 36,724 13,725 10,726 4,727 2,729 2,730 2,739 1,741 10,742 3,753 1,754 1,757 15,758 6,759 4,760 7,761 1,764 4,769 1,770 2,776 1,781 2,802 2,805 1,806 2,810 20,811 2,816 1,818 2,828 1,829 5.7,834 2,836 11.333,837 6.793,838 4.583,839 1.69,840 2.26,841 1.36,842 0.96,843 4.804,844 8.531,845 3.332,846 3.951,847 4.494,848 5.007,849 5.515,850 5.596,851 5.792,852 6.088,853 6.411,854 6.683,855 1,856 31,857 7.286,859 2.926,860 7.846,861 13.601,863 10.379,865 2.346,866 46.917,870 129.482,871 76.441,872 145.32,874 22,877 122.395,878 151.482,879 99.365,880 21.766,881 2.535,882 84.747,883 45.342,884 50.96,885 4.227,886 117.711,887 45.954,888 129.482,889 175.806,890 22,892 45.954,893 129.482,894 22,897 13.481,898 128.754,899 33.571,900 45.954,901 129.482,902 121.365,903 122.395,906 129.482,907 26.675,908 49.766,909 45.954,910 121.365,911 129.482,912 121.365,913 122.395,915 0.578,916 0.351,917 0.183,918 0.096,919 13,920 7,921 0.111,922 4,924 1,925 3.105,926 143.998,928 12,929 78.439,933 15.033,934 6.391,935 3.408,937 121.365,938 5.434,939 7.899,943 4.458,945 65.794,946 373.242,947 27,956 35.593,957 39.745,958 0.35,959 0.717,960 0.802,961 0.824,962 0.824,963 0.824,964 4.554,965 0.398,966 5.451,967 1.805,968 4.078,969 4.635,970 1.586,971 6.252,972 3.918,973 5.779,974 0.396,975 7.017,976 0.885,977 3.761,978 4.559,980 7.135,981 3.516,982 7.099,983 -0.079,984 8.676,985 0.603,986 5.673,987 6.857,988 1.285,989 10.187,990 5.395,991 8.453,992 -0.514,993 10.386,994 -0.142,995 6.111,996 7.512,998 11.813,999 5.722,1000 9.831,1001 -0.654,1002 12.128,1003 -1.242,1004 7.531,1005 9.335,1006 1.035,1007 14.402,1008 7.129,1009 11.228,1010 -0.694,1011 13.891,1012 -1.622,1013 8.316,1014 10.335,1016 16.361,1017 7.804,1018 12.638,1019 -1.178,1020 15.669,1021 -1.641,1022 9.541,1023 11.952,1024 0.828,1025 18.771,1026 9.008,1027 3.046,1028 -1.414,1029 17.459,1030 -3.168,1031 10.491,1032 13.133,1034 20.889,1035 9.86,1036 2.85,1037 9.855,1038 19.258,1039 -3.903,1040 11.638,1041 14.647,1042 0.656,1043 23.222,1044 10.971,1045 2.263,1046 8.822,1047 21.066,1048 4.097,1049 12.665,1050 15.924,1052 25.418,1053 11.913,1054 2.061,1055 6.62,1056 22.88,1057 3.873,1058 13.78,1059 17.384,1060 0.515,1061 27.717,1062 12.981,1063 1.987,1064 6.118,1065 24.699,1066 2.919,1067 14.844,1068 18.714,1070 29.951,1071 13.968,1072 1.414,1073 5.628,1074 26.524,1075 2.652,1076 15.947,1077 20.145,1078 0.401,1079 32.236,1080 15.017,1081 0.896,1082 3.658,1083 28.352,1084 2.604,1085 17.029,1086 21.504,1088 34.491,1089 16.028,1090 3434,1091 6585,1092 13.235,1093 23.853,1094 30.706,1095 32.042,1096 33.028,1097 30.695,1098 30.622,1099 39.923,1100 4.8,1101 87.984,1102 27.805,1103 5.18,1104 5.423,1105 5.961,1106 5.047,1107 5.046,1108 7.097,1109 1.72,1110 16.776,1111 4.856,1112 12.132,1113 1.462,1114 1.526,1115 1.573,1116 1.462,1117 1.458,1118 1.901,1119 0.229,1120 4.19,1121 1.324,1122 3.983,1123 4.01,1124 6.88,1125 3.913,1126 5.291,1127 3.908,1128 3.807,1129 3.845,1130 3.901,1131 3.659,1132 4.979,1133 3.678,1134 3.303,1135 3.355,1136 3.721,1137 3.095,1138 4.907,1139 3.088,1140 3.281,1141 3.349,1142 3.144,1143 3.006,1144 4.58,1145 3.026,1146 3.105,1147 3.211,1148 3.123,1149 2.847,1150 4.453,1151 2.836,1152 2.979,1153 3.093,1154 2.922,1155 2.733,1156 4.197,1157 2.717,1158 2.804,1159 2.893,1160 2.774,1161 2.581,1162 3.77,1163 2.594,1164 2.704,1165 2.776,1166 2.517,1167 2.562,1168 3.732,1169 2.537,1170 0.21,1171 0.163,1172 0.306,1173 0.189,1174 0.145,1175 4.409,1176 0.195,1177 3.423,1178 0.041,1179 6.431,1180 0.469,1181 3.978,1182 0.136,1183 3.046,1184 4.097,1185 0.86,1186 9.855,1187 2.856,1188 1.929,1189 1.912,1190 2.003,1191 2.039,1192 1.211,1193 2.031,1194 1.726,1195 1.689,1196 1.792,1197 1.905,1198 0.871,1199 1.88,1200 1.227,1201 1.163,1202 1.59,1203 1.558,1204 0.584,1205 1.565,1206 1.219,1207 1.155,1208 1.552,1209 1.506,1210 0.561,1211 1.521,1212 1.066,1213 0.975,1214 1.333,1215 1.379,1216 0.371,1217 1.378,1218 0.893,1219 0.783,1220 1.216,1221 1.252,1222 0.09,1223 1.265,1224 0.75,1225 0.663,1226 1.052,1227 1.035,1229 1.058,1230 0.727,1231 0.661,1232 1.004,1233 0.918,1235 0.951,1236 3.761,1238 5.069,1240 6.581,1242 8.186,1244 9.838,1245 3.429,1246 3.202,1250 11.321,1252 0.562,1254 10.612,1262 22.701,1263 62.816,1264 128.77,1265 144.015,1266 148.015,1267 148.015,1268 148.015,1269 30.243,1270 6.271,1271 96.28,1272 96.28,1273 12,1274 12.048,1275 3.7,1276 2.807,1277 36.32,1278 59,1279 58,1280 0.31,1281 150.203,1282 251.96,1283 358.256,1284 3455,1285 2.9,1286 14.698,1287 0.735,1288 0.638,1289 15.698,1290 12.769,1291 9.545,1292 0.455,1293 0.315,1294 5.735,1295 8.535,1296 5.481,1297 4.602,1298 10.123,1299 6.614,1300 8.424,1301 0.29,1302 0.17,1303 9.091,1304 4.923,1305 7.053,1306 0.191,1307 0.097,1308 7.996,1309 3.598,1310 5.542,1311 0.123,1312 0.053,1313 6.286,1314 2.369,1315 4.226,1316 0.078,1317 0.028,1318 4.611,1319 1.505,1320 0.473,1321 69.313,1322 0.275,1323 19.684,1324 0.885,1325 100,1326 338.04,1327 177.678,1328 359.177,1329 474.17,1330 334,1331 116,1332 316.796,1333 170.634,1334 337.032,1335 486.25,1336 311,1337 7.824}
{0 CHEMBL320811,1 1.571,2 7.789,3 2.87,4 8.238,5 82.224,6 8.194,7 0.762,8 3.608,9 3.735,10 3.317,11 3.251,12 4.767,13 3.193,14 4.068,15 4.228,16 3.735,17 3.645,18 5.197,19 3.555,20 4.227,21 4.399,22 3.728,23 3.738,24 5.257,25 3.618,26 4.313,27 4.507,28 3.726,29 3.715,30 5.356,31 3.556,32 4.293,33 4.54,34 3.36,35 3.579,36 5.243,37 3.401,38 4.104,39 4.344,40 3.169,41 3.409,42 5.022,43 3.252,44 3.978,45 4.234,46 2.94,47 3.183,48 4.994,49 3.056,50 3.87,51 4.175,52 2.654,53 2.902,54 4.839,55 2.762,56 0.041,57 0.525,58 6.559,59 2.841,60 8.667,61 3.508,62 0.143,63 0.827,64 12.314,65 5.239,66 16.361,67 6.643,68 0.085,69 0.947,70 16.069,71 6.289,72 10.667,73 7.502,74 0.14,75 1.024,76 20.461,77 7.319,78 18.278,79 9.009,80 0.222,81 0.96,82 23.018,83 7.039,84 27.723,85 8.112,86 0.089,87 0.75,88 15.337,89 5.78,90 14.778,91 7.49,92 0.105,93 0.662,94 12.57,95 4.365,96 20,97 5.916,98 0.109,99 0.564,100 11.883,101 3.873,102 20,103 5.506,104 10,105 30,106 0.29,107 0.657,108 0.745,109 0.81,110 0.825,111 0.825,112 3.011,113 0.973,114 -4.19,115 -4.14,116 -3.91,119 42.4,120 1,121 1,139 5,140 3,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 9,169 1,170 3,172 3,173 3,175 1,178 13,180 1,182 2,187 1,189 10,191 1,193 4,195 1,196 1,197 1,198 4,200 2,201 7,204 4,205 1,207 2,212 2,215 8,218 2,221 3,226 3,229 6,231 3,234 4,239 3,241 2,243 3,246 3,251 4,256 4,260 1,265 3,270 3,273 389,274 12.723,275 12.723,276 12.723,277 12.723,278 12.723,279 10.693,280 14.458,281 7.481,282 13.071,283 10.379,284 10.379,285 10.379,286 10.379,287 10.379,288 7.404,289 19.89,290 3.591,291 10.989,292 3.473,293 1.48,294 1.004,295 0.652,296 0.568,297 0.568,298 3.687,300 1,301 1,302 1,303 319,304 2.121,306 35.604,307 102.651,310 69.475,314 1.191,315 12.58,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 40,327 148,328 4.7,329 3.375,330 6.875,331 4.205,332 3.26,333 4.676,334 0.68,335 11.406,336 3.084,337 3.968,338 2.852,339 5.782,340 3.585,341 2.613,342 3.498,344 7.921,345 2.552,346 3.76,347 2.484,348 5.29,349 3.297,350 2.35,351 3.264,353 6.673,354 2.209,355 3.436,356 2.147,357 5.127,358 2.936,359 2.031,360 2.814,362 6.005,363 1.835,364 3.227,365 1.913,366 4.94,367 2.728,368 1.815,369 2.505,371 5.456,372 1.634,373 2.878,374 1.634,375 4.228,376 2.448,377 1.458,378 2.035,380 3.447,381 1.439,382 2.513,383 1.348,384 3.592,385 2.073,386 1.163,387 1.517,389 2.934,390 1.038,391 2.5,392 1,393 3.247,394 2,395 1,396 1.5,398 2.136,399 1,400 1.325,401 0.301,402 2.956,403 0.986,404 0.044,405 0.054,407 0.119,408 0.04,409 1.143,410 0.027,411 2.723,412 0.727,413 -0.185,414 -0.233,415 -0.48,416 -0.168,417 0.904,418 -0.27,419 2.501,420 0.477,421 -0.446,422 -0.566,423 -1.122,424 -0.406,425 0.596,426 -0.407,427 2.236,428 0.246,429 -0.672,430 -0.799,431 -1.544,432 -0.613,433 0.5,434 -0.874,435 1.724,437 -1,438 -1.392,439 -2.347,440 -0.976,441 0.257,442 -1,443 1.555,444 -0.104,445 -1.056,446 -1.5,448 -2.678,449 -1,450 0.017,451 -1.228,452 1.459,453 -0.397,454 -1.343,455 -1.829,457 -3.965,458 -1.279,459 9.433,460 0.496,461 0.524,462 0.028,463 27,464 1.421,465 15,466 0.789,467 12,468 0.632,469 13.595,470 0.716,471 19.367,472 0.587,473 15.928,474 0.838,475 5.155,476 0.271,477 3.992,478 0.21,479 0.138,481 0.371,485 1.146,486 0.961,487 0.761,488 0.73,489 1.345,490 0.754,491 0.312,492 0.793,493 0.703,494 0.84,495 0.371,496 0.805,497 1.06,498 1.127,499 1.133,500 1.102,501 0.902,502 1.04,503 0.55,504 1.348,505 1.233,506 1.461,507 0.577,508 1.266,509 1.6,510 0.871,511 1.588,512 1.177,513 1.448,514 1.043,515 0.801,516 1.029,517 0.993,518 1.069,519 0.776,520 1.089,521 1.169,522 1.055,523 0.873,524 0.927,525 1.218,526 1.049,527 1.114,528 0.947,529 0.608,530 0.692,531 1.011,532 0.851,533 4,534 0.012,535 1.778,536 2.104,537 1.081,538 0.612,539 0.295,540 0.188,541 0.1,542 0.046,543 3160,544 8485,545 2.081,546 42.4,547 3,548 5,551 4,552 2,555 1.604,556 1.932,557 2.956,558 1.986,560 1,562 1,564 51.859,565 1.571,566 3.565,567 4.041,568 4.393,569 4.476,570 4.476,571 2.439,572 3.642,573 4.22,574 3.063,575 523.7,576 7.193,577 5020.94,578 1,579 1,580 1,581 1,582 166.465,583 1.462,584 4.171,585 0.19,586 0.012,587 0.059,588 0.073,589 0.043,590 0.032,591 0.017,592 0.013,593 0.01,594 0.009,595 0.46,596 0.5,597 1,598 0.644,599 81.273,600 -0.207,601 0.141,602 0.037,603 0.166,604 -0.323,605 0.117,606 0.508,607 0.243,608 0.222,609 0.148,610 0.339,611 0.139,612 -0.155,613 -0.082,614 -0.089,615 -0.056,616 -0.141,617 -0.094,618 0.29,619 -0.354,620 -0.044,621 -0.325,622 0.263,623 -0.267,624 -0.421,625 0.166,626 -0.322,627 -0.046,628 -0.346,629 -0.059,630 -0.032,631 -0.129,632 -0.078,633 -0.108,634 0.006,635 -0.085,636 -0.148,637 -0.135,638 -0.102,639 -0.106,640 -0.11,641 -0.103,642 -0.02,643 -0.087,644 0.141,645 0.09,646 0.1,647 0.124,648 1.433,649 1.94,650 0.789,651 12.393,652 0.997,653 1.121,654 2.964,655 8.786,656 0.711,657 3.091,658 3.434,659 3.714,660 4.025,661 4.19,662 4.248,663 4.304,664 4.382,665 4.317,666 4.174,667 4.664,668 0.664,669 270.39,670 3.091,671 4.635,672 5.493,673 6.389,674 7.266,675 8.17,676 9.058,677 9.966,678 10.859,679 11.771,680 12.1,684 2,690 2,694 2,695 5,696 2,699 1,700 5,702 16,711 2,718 33,719 16,720 1,721 21,723 35,724 14,725 12,726 1,727 5,729 3,730 4,734 1,739 1,741 12,742 2,753 1,754 1,757 14,758 4,759 4,760 5,761 1,764 4,769 0.667,776 1,780 1,781 2,784 1,802 2,804 1,806 1,810 19,811 2,816 1,825 1,836 9.833,837 6.15,838 4.111,839 1.811,840 3.084,841 1.465,842 1.041,843 3.109,844 9.713,845 3.401,846 4.09,847 4.728,848 5.389,849 5.9,850 6.201,851 6.576,852 6.99,853 7.139,854 7.311,855 1,856 29,857 6.964,859 2.939,860 7.658,861 13.375,863 11.016,865 2.158,866 41,867 0.001,870 117.711,871 104.865,872 99.365,876 31.278,877 73.587,878 117.711,879 99.365,880 8.825,881 2.535,882 113.176,883 33.888,884 8.944,885 5.585,886 148.989,888 117.711,889 172.953,891 31.278,893 117.711,897 13.576,898 125.806,899 33.571,900 31.278,901 117.711,902 99.365,903 104.865,906 117.711,907 48.659,908 56.206,910 99.365,911 117.711,912 99.365,913 104.865,915 0.587,916 0.343,917 0.196,918 0.102,919 16,920 7,921 0.057,922 2,923 1,924 1.133,925 3.127,926 143.173,927 0.133,928 15,929 76.711,930 1,933 12.363,934 4.779,935 2.281,936 1.804,937 99.365,938 10.347,939 8.299,942 1.636,943 4.388,945 65.794,946 321.942,947 29,956 32.902,957 36.989,958 0.312,959 0.707,960 0.801,961 0.871,962 0.887,963 0.887,964 4.625,965 1,966 5.493,967 2.934,968 4.111,969 4.775,970 0.655,971 6.33,972 3.999,973 5.869,974 0.044,975 7.066,976 2.136,977 3.761,978 4.691,980 7.261,981 3.589,982 7.199,983 -0.185,984 8.739,985 0.119,986 5.72,987 7.092,988 0.356,989 10.41,990 5.509,991 8.568,992 -0.446,993 10.473,994 -0.48,995 6.176,996 7.845,998 12.212,999 5.904,1000 9.969,1001 -0.672,1002 12.246,1003 -1.122,1004 7.642,1005 9.732,1006 0.18,1007 14.892,1008 7.334,1009 11.396,1010 -1,1011 14.049,1012 -1.544,1013 8.486,1014 10.901,1016 17.072,1017 8.114,1018 12.844,1019 -1.056,1020 15.875,1021 -2.347,1022 9.759,1023 12.578,1024 0.087,1025 19.593,1026 9.348,1027 3.26,1028 -1.343,1029 17.719,1030 -2.678,1031 10.787,1032 13.951,1034 21.928,1035 10.31,1036 2.613,1037 11.406,1038 19.579,1039 -3.965,1040 11.99,1041 15.542,1042 0.041,1043 24.391,1044 11.467,1045 2.35,1046 7.921,1047 21.451,1048 4.676,1049 13.1,1050 17.009,1052 26.787,1053 12.513,1054 2.031,1055 6.673,1056 23.334,1057 3.498,1058 14.281,1059 18.567,1060 0.019,1061 29.231,1062 13.643,1063 1.815,1064 6.005,1065 25.225,1066 3.264,1067 15.429,1068 20.076,1070 31.65,1071 14.728,1072 1.458,1073 5.456,1074 27.123,1075 2.814,1076 16.604,1077 21.623,1078 0.009,1079 34.088,1080 15.849,1081 1.163,1082 3.447,1083 29.027,1084 2.505,1085 17.769,1086 23.15,1088 36.516,1089 16.953,1090 3097,1091 5187,1092 13.929,1093 23.478,1094 31.867,1095 31.673,1096 32.645,1097 31.547,1098 31.47,1099 43.725,1100 1.36,1101 92.195,1102 29.661,1103 5.464,1104 5.375,1105 6.677,1106 5.332,1107 5.26,1108 7.676,1109 1.36,1110 18.553,1111 5.084,1112 8.723,1113 1.517,1114 1.508,1115 1.555,1116 1.502,1117 1.499,1118 2.082,1119 0.065,1120 4.39,1121 1.412,1122 4.087,1123 4.106,1124 4.339,1125 4.08,1126 5.302,1127 4.034,1128 3.877,1129 3.91,1130 3.812,1131 3.819,1132 4.981,1133 3.809,1134 3.454,1135 3.521,1136 3.504,1137 3.275,1138 4.761,1139 3.287,1140 3.137,1141 3.227,1142 3.129,1143 2.986,1144 4.593,1145 2.961,1146 3.03,1147 3.151,1148 2.927,1149 2.851,1150 4.103,1151 2.789,1152 2.937,1153 3.015,1154 2.811,1155 2.735,1156 3.772,1157 2.715,1158 2.854,1159 2.925,1160 2.687,1161 2.703,1162 3.713,1163 2.713,1164 2.529,1165 2.63,1166 2.372,1167 2.332,1168 3.674,1169 2.321,1170 0.224,1171 0.161,1172 0.327,1173 0.2,1174 0.155,1175 4.7,1176 0.223,1177 3.375,1178 0.032,1179 6.875,1180 0.543,1181 4.205,1182 0.147,1183 3.26,1184 4.676,1185 0.68,1186 11.406,1187 3.084,1188 1.924,1189 1.897,1190 2.046,1191 2.005,1192 1.209,1193 2.018,1194 1.819,1195 1.788,1196 1.884,1197 1.969,1198 1.012,1199 1.949,1200 1.54,1201 1.521,1202 1.632,1203 1.65,1204 0.806,1205 1.683,1206 1.147,1207 1.068,1208 1.455,1209 1.368,1210 0.554,1211 1.403,1212 0.946,1213 0.847,1214 1.264,1215 1.339,1216 0.218,1217 1.342,1218 0.886,1219 0.823,1220 1.181,1221 1.111,1222 0.128,1223 1.134,1224 0.885,1225 0.821,1226 1.032,1227 1.062,1229 1.107,1230 0.634,1231 0.537,1232 0.936,1233 0.837,1235 0.893,1236 3.761,1238 5.094,1239 2.398,1240 6.621,1241 4.844,1242 8.241,1243 7.034,1244 9.911,1246 2.063,1250 11.581,1252 0.882,1262 21.907,1263 51.859,1264 117.636,1265 133.346,1266 144.955,1267 147.71,1268 147.71,1269 21.792,1270 6.629,1271 77.82,1272 106.06,1273 17,1274 12.289,1275 4.087,1276 3.17,1277 27.772,1278 53,1279 51,1280 0.268,1281 140.699,1282 225.01,1283 335.066,1284 5658,1286 13.405,1287 0.706,1288 0.598,1289 13.759,1290 11.368,1291 9.148,1292 0.436,1293 0.324,1294 6.02,1295 8.504,1296 5.75,1297 4.795,1298 9.556,1299 6.814,1300 8.486,1301 0.283,1302 0.185,1303 9.128,1304 5.543,1305 6.998,1306 0.175,1307 0.108,1308 7.789,1309 4.327,1310 6.307,1311 0.115,1312 0.062,1313 7.346,1314 3.409,1315 4.612,1316 0.071,1317 0.034,1318 5.476,1319 2.215,1320 0.406,1321 60.364,1322 0.268,1323 18.744,1324 0.78,1325 102,1326 258.775,1327 134.562,1328 284.294,1329 399.21,1330 266,1331 121,1332 290.067,1333 150.046,1334 314.553,1335 461.54,1336 296,1337 4.854}
{0 CHEMBL32113,1 1.638,2 10.12,3 1.713,4 2.934,5 96.782,6 7.565,7 0.63,8 3.922,9 4.053,10 3.493,11 3.358,12 5.115,13 3.375,14 4.408,15 4.597,16 3.83,17 3.706,18 5.552,19 3.711,20 4.521,21 4.68,22 3.925,23 3.875,24 5.647,25 3.86,26 4.715,27 4.922,28 3.861,29 3.932,30 5.802,31 3.859,32 4.786,33 5.041,34 3.737,35 3.906,36 5.75,37 3.798,38 4.685,39 4.934,40 3.657,41 3.797,42 5.626,43 3.705,44 4.641,45 4.886,46 3.533,47 3.697,48 5.645,49 3.616,50 4.489,51 4.748,52 3.434,53 3.598,54 5.434,55 3.486,56 0.082,57 0.699,58 9.271,59 3.374,60 12.042,61 4.687,62 0.397,63 1.019,64 17.607,65 5.56,66 31.153,67 7.616,68 0.239,69 1.203,70 18.027,71 6.299,72 19.115,73 8.808,74 0.437,75 1.309,76 23.866,77 8.222,78 42.499,79 11.723,80 0.584,81 1.289,82 27.665,83 8.528,84 45.442,85 12.942,86 0.344,87 1.137,88 24.898,89 7.816,90 33.385,91 11.707,92 0.619,93 1.038,94 24.792,95 6.584,96 50.435,97 9.617,98 0.284,99 0.925,100 20.644,101 6.761,102 27.505,103 10.25,104 30,105 38,106 0.283,107 0.647,108 0.778,109 0.832,110 0.847,111 0.87,112 3.267,113 0.847,114 -3.15,115 -3.14,116 -3.02,119 37.8,124 3,125 1,139 4,140 2,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 9,172 3,173 3,175 1,178 2,180 1,181 1,182 9,187 1,189 2,191 1,192 2,193 1,195 3,196 3,197 1,198 1,200 2,201 1,204 1,205 1,206 4,207 2,209 1,210 1,212 1,215 2,218 1,221 2,229 2,233 1,234 5,236 1,237 1,239 1,241 2,243 1,245 1,246 4,251 1,254 1,256 1,259 2,260 2,262 1,263 1,265 2,270 2,273 866,274 16.773,275 16.773,276 16.773,277 16.773,278 16.773,279 14.737,280 23.693,281 9.65,282 17.459,283 13.175,284 13.175,285 13.175,286 13.175,287 13.175,288 9.973,289 32.114,290 4.41,291 14.098,292 3.854,293 1.743,294 0.984,295 0.673,296 0.584,297 0.45,298 3.946,300 1,301 1,302 1,303 534,304 3.162,307 213.282,311 110.199,314 1.485,315 21.413,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 55,327 253,328 4.55,329 3.272,330 6.521,331 4.061,332 3.104,333 4.495,334 0.916,335 10.241,336 2.972,337 4.28,338 3.123,339 6.222,340 3.895,341 2.932,342 3.915,343 0.86,344 9.337,345 2.821,346 3.909,347 2.873,348 5.924,349 3.566,350 2.63,351 3.328,352 0.86,353 8.248,354 2.459,355 3.547,356 2.674,357 5.221,358 3.158,359 2.235,360 2.864,361 0.172,362 6.492,363 2.055,364 3.456,365 2.24,366 5.065,367 3.018,368 2.1,369 2.811,371 5.915,372 1.923,373 3.418,374 2.085,375 5.012,376 2.911,377 1.992,378 2.772,380 5.793,381 1.827,382 2.941,383 1.958,384 4.489,385 2.575,386 1.617,387 2.082,389 4.481,390 1.543,391 2.506,392 1.376,393 3.981,394 2.125,395 1.172,396 1.509,398 3.094,399 1.113,400 2.411,401 1.217,402 3.706,403 1.939,404 1,405 1.382,407 2.565,408 0.937,409 1.926,410 1.056,411 3.072,412 1.64,413 0.77,414 0.863,415 1.342,416 0.663,417 1.478,418 0.915,419 2.848,420 1.209,421 0.349,422 0.384,423 0.491,424 0.297,425 1.367,426 0.29,427 2.692,428 0.941,429 0.021,430 0.027,431 0.052,432 0.02,433 1.014,434 0.076,435 2.571,436 0.734,437 -0.201,438 -0.233,439 -0.414,440 -0.187,441 0.957,442 -0.203,443 2.481,444 0.467,445 -0.448,446 -0.578,448 -1.155,449 -0.409,450 0.652,451 -0.299,452 2.257,453 0.273,454 -0.646,455 -0.762,457 -1.353,458 -0.583,459 11.567,460 0.463,461 0.66,462 0.026,463 35.75,464 1.43,465 18.5,466 0.74,467 17.25,468 0.69,469 17.489,470 0.7,471 27.433,472 0.61,473 26.882,474 1.075,475 7.379,476 0.295,477 4.633,478 0.185,479 0.199,481 0.38,485 1.037,486 1.495,487 0.802,488 1.181,489 1.194,490 0.97,491 1.234,492 0.771,493 0.769,494 0.669,495 0.712,496 0.648,497 1.107,498 1.371,499 1.001,500 1.209,501 0.902,502 1.103,503 0.854,504 1.151,505 1.078,506 1.256,507 0.817,508 1.231,509 0.706,510 0.894,511 1.018,512 1.023,513 0.874,514 1.066,515 0.947,516 1.092,517 0.967,518 1.119,519 0.768,520 1.06,521 1.602,522 0.723,523 1.263,524 0.81,525 1.394,526 0.957,527 0.671,528 1.126,529 0.861,530 1.143,531 0.651,532 1.063,533 6,534 0.136,535 3.111,536 1.75,537 1.911,538 1.014,539 0.447,540 0.354,541 0.242,542 0.217,543 6727,544 19641,545 2.015,546 44.4,548 15,550 1,551 4,555 1.681,556 1.852,557 3.302,558 1.815,559 1,560 1,562 1,564 73.698,565 1.638,566 3.749,567 4.508,568 4.819,569 4.908,570 5.042,571 2.713,572 4.214,573 4.618,574 3.445,575 1033.5,576 7.989,577 12446.7,579 1,581 1,582 247.133,583 1.516,584 4.555,585 0.222,586 0.009,587 0.082,588 0.043,589 0.053,590 0.033,591 0.015,592 0.014,593 0.011,594 0.011,595 0.492,596 0.17,597 1,598 0.942,599 120.186,600 -0.129,601 -0.244,602 0.04,603 -0.103,604 -0.24,605 -0.006,606 -0.048,607 0.328,608 0.182,609 0.33,610 0.177,611 0.296,612 -0.161,613 -0.191,614 -0.127,615 -0.155,616 -0.097,617 -0.138,618 0.047,619 -0.098,620 -0.155,621 -0.229,622 0.048,623 -0.244,624 0.12,625 0.071,626 -0.049,627 -0.038,628 -0.023,629 -0.068,630 -0.06,631 -0.16,632 0.007,633 -0.109,634 0.032,635 -0.045,636 -0.296,637 0.206,638 -0.235,639 0.125,640 -0.311,641 -0.019,642 0.102,643 -0.225,644 0.111,645 -0.113,646 0.123,647 -0.02,648 1.556,649 1.936,650 0.64,651 20.266,652 1.01,653 1.14,654 1.916,655 3.672,656 0.651,657 3.332,658 3.664,659 3.932,660 4.174,661 4.419,662 4.477,663 4.477,664 4.522,665 4.605,666 4.644,667 5.97,668 0.628,669 340.43,670 3.332,671 4.875,672 5.727,673 6.608,674 7.477,675 8.361,676 9.236,677 10.121,678 10.997,679 11.883,680 13.3,684 2,686 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,714 1,716 2,718 45,719 17,720 1,721 27,723 47,724 17,725 13,726 3,727 3,729 3,730 4,741 13,742 4,753 1,754 1,757 20,758 8,759 4,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 3,810 25,811 2,816 1,818 2,821 1,829 4.4,834 2,836 13.5,837 8.967,838 5.611,839 2.257,840 3.368,841 1.471,842 0.977,843 4.992,844 10.513,845 3.597,846 4.248,847 4.866,848 5.463,849 6.058,850 6.322,851 6.613,852 6.944,853 7.327,854 7.434,855 0.857,856 41,857 9.132,859 3.742,860 7.773,861 17.178,863 13.395,865 2.273,866 56.833,870 188.338,871 104.165,872 119.275,874 22,877 104.165,878 210.337,879 119.275,880 30.162,881 2.106,882 103.699,883 62.128,884 54.889,885 4.227,886 176.567,888 188.338,889 223.44,890 22,893 190.053,894 22,897 13.052,898 158.316,899 50.357,901 188.338,902 141.275,903 104.165,906 188.338,907 27.05,908 80.239,910 138.151,911 188.338,912 141.275,913 104.165,915 0.582,916 0.351,917 0.187,918 0.104,919 18,920 9,921 0.106,922 5,923 1,924 1.125,925 3.601,926 205.197,927 0.125,928 16,929 116.096,933 17.359,934 7.19,935 3.636,936 1.136,937 141.275,938 9.31,939 12.41,943 3.846,945 65.794,946 433.778,947 35.5,956 45.451,957 51.315,958 0.298,959 0.683,960 0.821,961 0.878,962 0.894,963 0.918,964 4.83,965 1.172,966 5.727,967 4.481,968 4.344,969 4.934,970 1.698,971 6.544,972 4.222,973 6.06,974 1,975 7.296,976 3.094,977 4.007,978 4.856,979 0.325,980 7.445,981 3.839,982 7.383,983 0.77,984 8.96,985 2.565,986 5.953,987 7.213,988 1.422,989 10.515,990 5.735,991 8.742,992 0.349,993 10.675,994 1.342,995 6.382,996 7.913,997 0.393,998 12.184,999 6.118,1000 10.128,1001 0.021,1002 12.423,1003 0.491,1004 7.824,1005 9.778,1006 1.2,1007 14.78,1008 7.524,1009 11.534,1010 -0.201,1011 14.193,1012 0.052,1013 8.608,1014 10.86,1015 0.384,1016 16.788,1017 8.264,1018 12.956,1019 -0.448,1020 15.979,1021 -0.414,1022 9.848,1023 12.515,1024 1.01,1025 19.206,1026 9.472,1027 3.104,1028 -0.646,1029 17.777,1030 -1.155,1031 10.803,1032 13.797,1033 0.351,1034 21.37,1035 10.384,1036 2.932,1037 10.241,1038 19.585,1039 -1.353,1040 11.961,1041 15.357,1042 0.845,1043 23.716,1044 11.507,1045 2.63,1046 9.337,1047 21.401,1048 4.495,1049 12.997,1050 16.743,1051 0.312,1052 25.954,1053 12.502,1054 2.235,1055 8.248,1056 23.223,1057 3.915,1058 14.122,1059 18.262,1060 0.702,1061 28.273,1062 13.591,1063 2.1,1064 6.492,1065 25.051,1066 3.328,1067 15.197,1068 19.701,1069 0.273,1070 30.546,1071 14.625,1072 1.992,1073 5.915,1074 26.884,1075 2.864,1076 16.312,1077 21.202,1078 0.579,1079 32.856,1080 15.701,1081 1.617,1082 5.793,1083 28.721,1084 2.811,1085 17.407,1086 22.668,1087 0.236,1088 35.147,1089 16.754,1090 6640,1091 11472,1092 17.512,1093 29.273,1094 40.02,1095 40.72,1096 42.194,1097 39.764,1098 39.844,1099 52.862,1100 5.618,1101 116.1,1102 37.262,1103 5.39,1104 5.272,1105 6.09,1106 5.136,1107 5.104,1108 7.495,1109 1.776,1110 17.135,1111 4.972,1112 14.228,1113 1.482,1114 1.508,1115 1.563,1116 1.473,1117 1.476,1118 1.958,1119 0.208,1120 4.3,1121 1.38,1122 4.06,1123 4.103,1124 4.034,1125 3.932,1126 5.324,1127 3.951,1128 3.924,1129 3.945,1130 3.878,1131 3.833,1132 4.982,1133 3.841,1134 3.562,1135 3.635,1136 3.491,1137 3.346,1138 4.917,1139 3.374,1140 3.328,1141 3.381,1142 3.198,1143 3.069,1144 4.814,1145 3.089,1146 3.26,1147 3.344,1148 3.115,1149 2.998,1150 4.602,1151 3.014,1152 3.144,1153 3.236,1154 3.002,1155 2.868,1156 4.277,1157 2.857,1158 3.108,1159 3.223,1160 2.895,1161 2.813,1162 4.138,1163 2.848,1164 2.95,1165 3.041,1166 2.749,1167 2.782,1168 4.033,1169 2.762,1170 0.169,1171 0.121,1172 0.242,1173 0.15,1174 0.115,1175 4.55,1176 0.166,1177 3.272,1178 0.034,1179 6.521,1180 0.379,1181 4.061,1182 0.11,1183 3.104,1184 4.495,1185 0.916,1186 10.241,1187 2.972,1188 1.973,1189 1.94,1190 2.039,1191 2.125,1192 1.196,1193 2.099,1194 1.887,1195 1.868,1196 1.97,1197 2.003,1198 1.066,1199 1.996,1200 1.485,1201 1.416,1202 1.692,1203 1.738,1204 0.779,1205 1.726,1206 1.246,1207 1.187,1208 1.592,1209 1.568,1210 0.587,1211 1.571,1212 1.203,1213 1.122,1214 1.539,1215 1.489,1216 0.561,1217 1.493,1218 1.129,1219 1.033,1220 1.432,1221 1.429,1222 0.488,1223 1.461,1224 0.997,1225 0.903,1226 1.344,1227 1.376,1228 0.334,1229 1.356,1230 0.987,1231 0.895,1232 1.266,1233 1.209,1234 0.114,1235 1.262,1236 4.007,1238 5.333,1240 6.862,1242 8.484,1244 10.156,1246 5.235,1250 11.542,1252 0.6,1254 10.727,1257 2.027,1262 28.246,1263 73.698,1264 168.715,1265 202.869,1266 216.869,1267 220.869,1268 226.869,1269 35.124,1270 7.145,1271 112.41,1272 112.41,1273 18,1274 12.417,1275 4.17,1276 3.248,1277 41.761,1278 90,1279 83,1280 0.23,1281 176.999,1282 295.34,1283 423.638,1284 11555,1286 17.974,1287 0.719,1288 0.574,1289 17.974,1290 14.354,1291 12.012,1292 0.445,1293 0.282,1294 7.441,1295 11.331,1296 7.165,1297 6.029,1298 12.012,1299 7.623,1300 10.78,1301 0.284,1302 0.146,1303 10.78,1304 5.566,1305 9.128,1306 0.183,1307 0.078,1308 9.128,1309 3.919,1310 7.522,1311 0.118,1312 0.041,1313 7.522,1314 2.602,1315 5.982,1316 0.073,1317 0.021,1318 5.982,1319 1.714,1320 0.358,1321 76.808,1322 0.239,1323 24.103,1324 0.638,1325 130,1326 410.676,1327 145.998,1328 394.375,1329 542.58,1330 370,1331 153,1332 404.344,1333 169,1334 413.793,1335 598.68,1336 383,1337 7.244}
{0 CHEMBL321826,1 1.571,2 7.632,3 2.66,4 7.073,5 82.198,6 8.194,7 0.762,8 3.608,9 3.735,10 3.317,11 3.251,12 4.767,13 3.193,14 4.068,15 4.228,16 3.735,17 3.645,18 5.198,19 3.555,20 4.227,21 4.399,22 3.691,23 3.728,24 5.251,25 3.615,26 4.311,27 4.507,28 3.704,29 3.708,30 5.346,31 3.57,32 4.319,33 4.56,34 3.457,35 3.624,36 5.307,37 3.475,38 4.207,39 4.437,40 3.343,41 3.522,42 5.199,43 3.362,44 4.104,45 4.374,46 3.011,47 3.258,48 5.108,49 3.088,50 3.856,51 4.189,52 2.395,53 2.798,54 4.714,55 2.593,56 0.041,57 0.525,58 6.559,59 2.841,60 8.667,61 3.508,62 0.143,63 0.827,64 12.314,65 5.239,66 16.389,67 6.643,68 0.089,69 0.945,70 16.538,71 6.316,72 10.751,73 7.514,74 0.135,75 1.011,76 18.842,77 6.906,78 17.445,79 8.849,80 0.197,81 0.983,82 21.039,83 6.782,84 25.445,85 8.197,86 0.103,87 0.857,88 16.799,89 6.237,90 19.056,91 7.909,92 0.152,93 0.759,94 16.253,95 5.207,96 26.834,97 6.682,98 0.124,99 0.535,100 13.715,101 4.296,102 20.667,103 5.912,104 10,105 30,106 0.29,107 0.657,108 0.745,109 0.81,110 0.825,111 0.825,112 3.012,113 0.973,114 -4.19,115 -4.14,116 -3.91,119 42.4,120 1,121 1,139 5,140 3,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 9,169 1,170 3,172 3,173 3,175 1,178 14,180 1,182 2,187 1,189 11,191 1,193 4,195 1,196 1,197 1,198 4,200 2,201 7,204 4,205 1,207 3,212 3,215 7,218 3,221 4,226 4,229 5,231 4,234 4,239 3,241 2,243 3,246 2,251 3,256 3,265 2,270 2,273 410,274 12.723,275 12.723,276 12.723,277 12.723,278 12.723,279 10.693,280 14.458,281 7.498,282 13.099,283 10.389,284 10.389,285 10.389,286 10.389,287 10.389,288 7.409,289 19.89,290 3.601,291 11.018,292 3.473,293 1.48,294 1.004,295 0.652,296 0.568,297 0.568,298 3.687,300 1,301 1,302 1,303 312,304 2.121,306 35.845,307 98.507,310 68.116,314 1.125,315 12.734,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 40,327 145,328 4.707,329 3.395,330 6.909,331 4.22,332 3.271,333 4.68,334 0.68,335 11.585,336 3.109,337 3.943,338 2.789,339 5.725,340 3.55,341 2.576,342 3.48,344 7.699,345 2.517,346 3.77,347 2.51,348 5.294,349 3.305,350 2.363,351 3.272,353 6.701,354 2.21,355 3.435,356 2.159,357 5.127,358 2.932,359 2.032,360 2.814,362 6.002,363 1.822,364 3.216,365 1.914,366 4.934,367 2.725,368 1.81,369 2.486,371 5.417,372 1.634,373 2.905,374 1.666,375 4.226,376 2.472,377 1.492,378 2.07,380 3.557,381 1.457,382 2.512,383 1.329,384 3.6,385 2.071,386 1.154,387 1.517,389 2.913,390 1.038,391 2.5,392 1,393 3.247,394 2,395 1,396 1.5,398 2.136,399 1,400 1.356,401 0.35,402 2.989,403 1.054,404 0.093,405 0.113,407 0.256,408 0.089,409 1.14,410 -0.111,411 2.728,412 0.629,413 -0.246,414 -0.329,415 -0.665,416 -0.213,417 0.818,418 -0.279,419 2.442,420 0.439,421 -0.52,422 -0.639,423 -1.259,424 -0.482,425 0.622,426 -0.334,427 2.276,428 0.297,429 -0.619,430 -0.728,431 -1.418,432 -0.584,433 0.5,434 -0.856,435 1.738,437 -1,438 -1.371,439 -2.347,440 -0.965,441 0.22,442 -1,443 1.555,444 -0.116,445 -1.073,446 -1.5,448 -2.71,449 -1,450 0.113,451 -1.169,452 1.466,453 -0.313,454 -1.247,455 -1.744,457 -3.666,458 -1.194,459 9.433,460 0.496,461 0.524,462 0.028,463 27,464 1.421,465 15,466 0.789,467 12,468 0.632,469 13.614,470 0.717,471 19.367,472 0.587,473 16.074,474 0.846,475 5.155,476 0.271,477 3.992,478 0.21,479 0.138,481 0.371,485 1.146,486 0.961,487 0.761,488 0.73,489 1.345,490 0.754,491 0.312,492 0.793,493 0.703,494 0.84,495 0.369,496 0.805,497 1.073,498 1.145,499 1.197,500 1.155,501 0.906,502 1.056,503 0.516,504 1.307,505 1.052,506 1.34,507 0.609,508 1.219,509 1.459,510 0.903,511 1.294,512 1.032,513 1.301,514 0.991,515 0.984,516 1.123,517 1.084,518 1.129,519 0.918,520 1.154,521 1.407,522 1.024,523 1.124,524 1.014,525 1.44,526 1.082,527 1.028,528 0.823,529 0.754,530 0.743,531 0.929,532 0.823,533 4,534 0.012,535 1.778,536 1.979,537 1.196,538 0.751,539 0.234,540 0.165,541 0.102,542 0.03,543 3062,544 8285,545 2.081,546 42.4,547 2,548 5,551 4,552 3,555 1.607,556 1.932,557 2.913,558 1.986,560 1,562 1,564 51.859,565 1.571,566 3.565,567 4.041,568 4.393,569 4.476,570 4.476,571 2.42,572 3.932,573 4.22,574 3.009,575 514.584,576 7.206,577 4900.12,578 1,579 1,580 1,581 1,582 166.465,583 1.462,584 4.171,585 0.19,586 0.012,587 0.059,588 0.068,589 0.046,590 0.034,591 0.012,592 0.013,593 0.015,594 0.01,595 0.46,596 0.5,597 1,598 0.644,599 80.774,600 -0.207,601 0.141,602 0.037,603 0.166,604 -0.323,605 0.117,606 0.508,607 0.243,608 0.222,609 0.148,610 0.341,611 0.139,612 -0.169,613 -0.1,614 -0.156,615 -0.111,616 -0.145,617 -0.11,618 0.302,619 -0.333,620 -0.014,621 -0.3,622 0.225,623 -0.239,624 -0.331,625 0.111,626 -0.203,627 -0.007,628 -0.229,629 -0.028,630 -0.104,631 -0.18,632 -0.124,633 -0.154,634 -0.029,635 -0.174,636 -0.252,637 -0.07,638 -0.157,639 -0.089,640 -0.224,641 -0.121,642 0.012,643 0.002,644 0.154,645 0.144,646 0.114,647 0.211,648 1.433,649 2,650 0.789,651 11.812,652 0.997,653 1.121,654 2.964,655 8.786,656 0.711,657 3.091,658 3.434,659 3.714,660 4.043,661 4.234,662 4.277,663 4.304,664 4.382,665 4.29,666 4.111,667 4.511,668 0.664,669 270.39,670 3.091,671 4.635,672 5.493,673 6.392,674 7.273,675 8.181,676 9.072,677 9.983,678 10.88,679 11.794,680 12.1,684 2,690 2,694 2,695 5,696 2,699 1,700 5,702 16,711 2,718 33,719 16,720 1,721 21,723 35,724 14,725 12,726 1,727 5,729 3,730 4,734 1,739 1,741 12,742 2,753 1,754 1,757 14,758 4,759 4,760 5,761 1,764 4,769 0.667,776 1,780 1,781 2,784 1,802 2,804 1,806 1,810 19,811 2,816 1,825 1,836 9.833,837 6.15,838 4.111,839 1.811,840 3.109,841 1.469,842 1.041,843 3.109,844 9.738,845 3.401,846 4.09,847 4.728,848 5.4,849 5.924,850 6.218,851 6.576,852 6.99,853 7.116,854 7.246,855 1,856 29,857 6.966,859 2.941,860 7.658,861 13.375,863 11.016,865 2.158,866 41,867 0.001,870 117.711,871 104.865,872 99.365,876 31.278,877 73.587,878 117.711,879 99.365,880 8.825,881 2.535,882 113.176,883 33.888,884 8.944,885 5.585,886 148.989,888 117.711,889 172.953,891 31.278,893 117.711,897 13.576,898 125.806,899 33.571,900 31.278,901 117.711,902 99.365,903 104.865,906 117.711,907 48.659,908 56.206,910 99.365,911 117.711,912 99.365,913 104.865,915 0.586,916 0.341,917 0.199,918 0.11,919 16,920 7,921 0.057,922 2,923 1,924 1.133,925 3.103,926 144.354,927 0.133,928 15,929 76.711,930 1,933 12.363,934 4.779,935 2.281,936 1.814,937 99.365,938 10.309,939 8.333,942 1.615,943 4.367,945 65.794,946 321.942,947 29,956 32.902,957 36.989,958 0.312,959 0.707,960 0.801,961 0.871,962 0.887,963 0.887,964 4.625,965 1,966 5.493,967 2.913,968 4.111,969 4.775,970 0.655,971 6.333,972 3.999,973 5.869,974 0.093,975 7.066,976 2.136,977 3.761,978 4.691,980 7.277,981 3.589,982 7.199,983 -0.246,984 8.74,985 0.256,986 5.72,987 7.092,988 0.356,989 10.433,990 5.514,991 8.568,992 -0.52,993 10.475,994 -0.665,995 6.176,996 7.845,998 12.265,999 5.912,1000 9.969,1001 -0.619,1002 12.251,1003 -1.259,1004 7.644,1005 9.734,1006 0.18,1007 14.952,1008 7.35,1009 11.396,1010 -1,1011 14.057,1012 -1.418,1013 8.491,1014 10.904,1016 17.165,1017 8.139,1018 12.845,1019 -1.073,1020 15.888,1021 -2.347,1022 9.768,1023 12.582,1024 0.087,1025 19.695,1026 9.381,1027 3.271,1028 -1.247,1029 17.738,1030 -2.71,1031 10.801,1032 13.956,1034 22.058,1035 10.355,1036 2.576,1037 11.585,1038 19.604,1039 -3.666,1040 12.008,1041 15.548,1042 0.041,1043 24.534,1044 11.52,1045 2.363,1046 7.699,1047 21.482,1048 4.68,1049 13.124,1050 17.017,1052 26.953,1053 12.579,1054 2.032,1055 6.701,1056 23.371,1057 3.48,1058 14.309,1059 18.577,1060 0.019,1061 29.411,1062 13.718,1063 1.81,1064 6.002,1065 25.269,1066 3.272,1067 15.461,1068 20.087,1070 31.849,1071 14.815,1072 1.492,1073 5.417,1074 27.174,1075 2.814,1076 16.641,1077 21.635,1078 0.009,1079 34.302,1080 15.946,1081 1.154,1082 3.557,1083 29.084,1084 2.486,1085 17.811,1086 23.164,1088 36.747,1089 17.061,1090 3013,1091 5067,1092 13.929,1093 23.478,1094 31.881,1095 31.788,1096 32.674,1097 31.688,1098 31.584,1099 43.863,1100 1.36,1101 92.53,1102 29.754,1103 5.476,1104 5.395,1105 6.711,1106 5.337,1107 5.271,1108 7.68,1109 1.36,1110 18.633,1111 5.109,1112 8.715,1113 1.518,1114 1.514,1115 1.556,1116 1.509,1117 1.504,1118 2.089,1119 0.065,1120 4.406,1121 1.417,1122 4.09,1123 4.11,1124 4.337,1125 4.081,1126 5.302,1127 4.038,1128 3.869,1129 3.901,1130 3.816,1131 3.816,1132 4.981,1133 3.802,1134 3.462,1135 3.529,1136 3.513,1137 3.28,1138 4.76,1139 3.291,1140 3.137,1141 3.231,1142 3.139,1143 3.025,1144 4.594,1145 2.981,1146 3.046,1147 3.153,1148 2.896,1149 2.767,1150 4.111,1151 2.791,1152 2.916,1153 3.008,1154 2.774,1155 2.735,1156 3.769,1157 2.715,1158 2.854,1159 2.925,1160 2.687,1161 2.723,1162 3.691,1163 2.683,1164 2.525,1165 2.621,1166 2.422,1167 2.358,1168 3.674,1169 2.328,1170 0.224,1171 0.162,1172 0.329,1173 0.201,1174 0.156,1175 4.707,1176 0.223,1177 3.395,1178 0.032,1179 6.909,1180 0.552,1181 4.22,1182 0.148,1183 3.271,1184 4.68,1185 0.68,1186 11.585,1187 3.109,1188 1.939,1189 1.912,1190 2.056,1191 2.027,1192 1.229,1193 2.034,1194 1.787,1195 1.755,1196 1.844,1197 1.936,1198 0.958,1199 1.919,1200 1.563,1201 1.544,1202 1.676,1203 1.661,1204 0.835,1205 1.706,1206 1.148,1207 1.075,1208 1.449,1209 1.39,1210 0.567,1211 1.41,1212 0.966,1213 0.869,1214 1.262,1215 1.322,1216 0.218,1217 1.33,1218 0.886,1219 0.821,1220 1.181,1221 1.113,1222 0.102,1223 1.134,1224 0.846,1225 0.771,1226 1.046,1227 1.062,1229 1.107,1230 0.641,1231 0.554,1232 0.911,1233 0.829,1235 0.883,1236 3.761,1238 5.094,1239 2.398,1240 6.621,1241 4.844,1242 8.244,1243 7.034,1244 9.918,1246 2.084,1250 11.641,1252 0.837,1262 21.907,1263 51.859,1264 117.636,1265 133.346,1266 144.955,1267 147.71,1268 147.71,1269 21.901,1270 6.629,1271 77.82,1272 106.06,1273 17,1274 12.31,1275 4.087,1276 3.17,1277 27.677,1278 50,1279 51,1280 0.278,1281 140.699,1282 225.01,1283 335.066,1284 5647,1286 13.405,1287 0.706,1288 0.598,1289 13.759,1290 11.368,1291 9.148,1292 0.436,1293 0.324,1294 6.02,1295 8.471,1296 5.75,1297 4.792,1298 9.556,1299 6.814,1300 8.508,1301 0.284,1302 0.188,1303 9.21,1304 5.65,1305 6.911,1306 0.173,1307 0.104,1308 7.619,1309 4.163,1310 6.28,1311 0.112,1312 0.059,1313 7.206,1314 3.283,1315 4.835,1316 0.071,1317 0.033,1318 5.621,1319 2.24,1320 0.416,1321 60.364,1322 0.268,1323 18.622,1324 0.826,1325 102,1326 258.775,1327 134.562,1328 284.229,1329 399.17,1330 266,1331 121,1332 290.067,1333 148.376,1334 314.415,1335 461.12,1336 296,1337 4.432}
{0 CHEMBL32190,1 1.667,2 10.889,3 1.697,4 2.878,5 103.245,6 7.56,7 0.586,8 4.008,9 4.134,10 3.576,11 3.415,12 5.205,13 3.439,14 4.503,15 4.691,16 3.911,17 3.756,18 5.636,19 3.775,20 4.59,21 4.731,22 4.054,23 3.941,24 5.762,25 3.941,26 4.81,27 5.005,28 4.039,29 4.022,30 5.932,31 3.975,32 4.929,33 5.153,34 3.864,35 4.019,36 5.928,37 3.937,38 4.819,39 5.046,40 3.708,41 3.946,42 5.759,43 3.827,44 4.861,45 5.163,46 3.605,47 3.805,48 5.728,49 3.693,50 4.579,51 4.824,52 3.583,53 3.659,54 5.568,55 3.583,56 0.109,57 0.738,58 10.207,59 3.709,60 13.049,61 5.122,62 0.508,63 1.065,64 19.911,65 5.982,66 36.022,67 8.138,68 0.443,69 1.272,70 19.288,71 6.763,72 23.663,73 9.4,74 0.499,75 1.409,76 26.037,77 9.013,78 44.545,79 12.77,80 0.884,81 1.4,82 32.418,83 9.426,84 60.146,85 13.373,86 0.475,87 1.296,88 27.767,89 9.297,90 39.306,91 13.639,92 0.7,93 1.184,94 32.939,95 8.221,96 58.736,97 13.301,98 0.497,99 0.968,100 23.082,101 6.85,102 35.996,103 10.236,104 46,105 41,106 0.283,107 0.623,108 0.739,109 0.772,110 0.782,111 0.81,112 3.34,113 0.843,114 -2.64,115 -2.66,116 -2.59,119 36.7,124 4,125 1,139 3,140 2,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 7,172 3,173 3,175 1,178 1,180 1,181 3,182 10,187 1,191 1,192 2,193 3,195 3,196 3,197 1,198 1,200 2,201 1,204 1,205 1,206 4,207 1,209 1,210 1,212 1,215 3,218 1,220 1,221 2,229 2,234 4,236 1,237 1,239 1,243 1,245 2,246 7,251 2,256 2,259 1,260 1,265 1,270 1,273 1049,274 18.143,275 18.143,276 18.143,277 18.143,278 18.143,279 16.107,280 26.703,281 10.374,282 18.989,283 14.097,284 14.097,285 14.097,286 14.097,287 14.097,288 10.793,289 37.173,290 4.633,291 15.181,292 3.948,293 1.94,294 1.256,295 1.062,296 1.006,297 0.837,298 4.018,300 1,301 1,302 1,303 617,304 3.391,307 240.735,311 126.553,314 1.613,315 25.379,317 1,318 1,319 0.83,320 1,321 1,323 1,324 1,325 0.83,326 60,327 294,328 4.55,329 3.386,330 6.528,331 4.063,332 3.107,333 4.495,334 0.916,335 10.276,336 2.972,337 4.422,338 3.187,339 6.516,340 4.007,341 3.059,342 4.105,343 0.86,344 10.225,345 2.896,346 3.943,347 2.963,348 6,349 3.636,350 2.703,351 3.341,352 0.86,353 8.512,354 2.52,355 3.567,356 2.555,357 5.278,358 3.182,359 2.221,360 2.905,361 0.86,362 6.687,363 2.132,364 3.432,365 2.46,366 5.19,367 2.992,368 2.061,369 2.811,370 0.172,371 6.118,372 1.908,373 3.402,374 2.205,375 5.064,376 2.972,377 2.06,378 2.731,380 5.882,381 1.867,382 3.355,383 2.063,384 5.006,385 2.902,386 1.982,387 2.604,389 5.792,390 1.82,391 2.549,392 1.953,393 4.127,394 2.22,395 1.292,396 1.561,398 3.457,399 1.196,400 2.427,401 1.411,402 3.733,403 1.95,404 1.105,405 1.401,407 2.565,408 0.94,409 2.171,410 1.057,411 3.7,412 1.931,413 1,414 1.155,415 2.299,416 0.914,417 1.576,418 1.014,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.432,426 0.916,427 2.859,428 1.181,429 0.338,430 0.36,431 0.446,432 0.283,433 1.361,434 0.318,435 2.668,436 0.941,437 0.021,438 0.027,439 0.052,440 0.02,441 1.014,442 0.091,443 2.517,444 0.735,445 -0.198,446 -0.229,448 -0.411,449 -0.183,450 0.958,451 -0.145,452 2.483,453 0.467,454 -0.448,455 -0.577,457 -1.155,458 -0.408,459 12.4,460 0.459,461 0.712,462 0.026,463 37.75,464 1.398,465 19,466 0.704,467 18.75,468 0.694,469 20.205,470 0.748,471 30.2,472 0.616,473 29.841,474 1.105,475 7.878,476 0.292,477 5.083,478 0.188,479 0.226,481 0.395,485 1.024,486 1.555,487 0.799,488 1.259,489 1.161,490 1.009,491 1.329,492 0.729,493 0.767,494 0.606,495 0.822,496 0.584,497 0.894,498 1.392,499 0.934,500 1.221,501 0.821,502 1.099,503 0.765,504 1.218,505 0.963,506 1.31,507 0.675,508 1.202,509 1.371,510 0.824,511 1.26,512 0.949,513 1.262,514 1.08,515 0.892,516 1.288,517 1.177,518 1.38,519 0.903,520 1.361,521 0.996,522 0.636,523 0.904,524 0.671,525 0.937,526 0.738,527 0.981,528 0.97,529 0.899,530 0.951,531 0.717,532 0.927,533 6.5,534 0.206,535 3.333,536 2.438,537 2.222,538 1.021,539 0.567,540 0.464,541 0.188,542 0.278,543 8273,544 24927,545 1.992,546 44.9,548 17,550 1,551 4,555 1.701,556 1.82,557 3.396,558 1.771,559 1,560 1,564 81.69,565 1.667,566 3.674,567 4.359,568 4.553,569 4.609,570 4.778,571 2.865,572 4.459,573 4.73,574 3.55,575 1245.89,576 8.207,577 15938.1,579 1,581 1,582 275.121,583 1.541,584 4.659,585 0.224,586 0.01,587 0.081,588 0.053,589 0.052,590 0.029,591 0.02,592 0.017,593 0.007,594 0.012,595 0.505,596 0.17,597 1,598 1.011,599 133.687,600 -0.124,601 -0.283,602 0.046,603 -0.149,604 -0.219,605 -0.026,606 -0.114,607 0.356,608 0.202,609 0.393,610 0.113,611 0.361,612 0.07,613 -0.169,614 -0.064,615 -0.134,616 0.002,617 -0.122,618 0.113,619 -0.134,620 -0.048,621 -0.258,622 0.176,623 -0.201,624 -0.199,625 0.141,626 -0.266,627 0.032,628 -0.27,629 -0.118,630 -0.069,631 -0.309,632 -0.241,633 -0.327,634 -0.131,635 -0.331,636 -0.091,637 0.209,638 0.137,639 0.242,640 -0.027,641 0.25,642 0.008,643 -0.058,644 0.095,645 0.052,646 0.136,647 0.082,648 1.564,649 1.95,650 0.593,651 23.095,652 1.014,653 1.142,654 1.415,655 2.002,656 0.643,657 3.401,658 3.738,659 4.025,660 4.29,661 4.5,662 4.543,663 4.595,664 4.654,665 4.673,666 4.71,667 6.39,668 0.622,669 370.46,670 3.401,671 4.949,672 5.808,673 6.698,674 7.573,675 8.465,676 9.344,677 10.235,678 11.116,679 12.008,680 12.2,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,716 3,718 49,719 17,720 1,721 29,723 51,724 18,725 13,726 4,727 2,729 3,730 4,741 13,742 5,753 1,754 1,757 22,758 9,759 4,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 4,810 27,811 2,816 1,818 3,821 1,829 6.1,834 3,836 14.833,837 10.05,838 6.139,839 2.417,840 3.33,841 1.456,842 0.962,843 5.723,844 10.631,845 3.651,846 4.304,847 4.933,848 5.539,849 6.113,850 6.387,851 6.686,852 7.004,853 7.355,854 7.477,855 1,856 46,857 9.865,859 4.024,860 7.796,861 18.487,863 14.287,865 2.296,866 62,870 211.88,871 110.815,872 119.275,874 33,877 110.815,878 244.879,879 119.275,880 41.046,881 2.106,882 94.223,883 62.128,884 71.132,885 4.227,886 200.109,888 211.88,889 230.091,890 33,893 213.595,894 33,897 13.052,898 164.966,899 50.357,901 211.88,902 152.275,903 110.815,906 211.88,907 32.294,908 81.646,910 149.151,911 211.88,912 152.275,913 110.815,915 0.579,916 0.36,917 0.202,918 0.108,919 19,920 10,921 0.118,922 6,923 1,924 1.125,925 3.725,926 228.797,927 0.125,928 16,929 120.382,933 19.261,934 8.022,935 3.939,936 1.114,937 152.275,938 7.413,939 12.423,943 4,945 65.794,946 474.97,947 37.5,956 49.662,957 55.94,958 0.297,959 0.654,960 0.776,961 0.811,962 0.821,963 0.851,964 4.892,965 1.292,966 5.814,967 5.792,968 4.419,969 4.99,970 1.938,971 6.653,972 4.286,973 6.126,974 1.105,975 7.397,976 3.457,977 4.111,978 4.956,979 0.325,980 7.6,981 3.937,982 7.456,983 1,984 9.074,985 2.565,986 6.047,987 7.281,988 1.656,989 10.685,990 5.812,991 8.823,992 0.396,993 10.804,994 2.299,995 6.509,996 8.02,997 0.393,998 12.403,999 6.226,1000 10.218,1001 0.338,1002 12.567,1003 0.603,1004 7.944,1005 9.861,1006 1.418,1007 15.016,1008 7.616,1009 11.633,1010 0.021,1011 14.352,1012 0.446,1013 8.76,1014 10.973,1015 0.384,1016 17.069,1017 8.379,1018 13.063,1019 -0.198,1020 16.153,1021 0.052,1022 9.999,1023 12.613,1024 1.207,1025 19.507,1026 9.579,1027 3.107,1028 -0.448,1029 17.967,1030 -0.411,1031 10.981,1032 13.914,1033 0.351,1034 21.71,1035 10.507,1036 3.059,1037 10.276,1038 19.79,1039 -1.155,1040 12.144,1041 15.466,1042 1.019,1043 24.079,1044 11.63,1045 2.703,1046 10.225,1047 21.622,1048 4.495,1049 13.2,1050 16.86,1051 0.312,1052 26.348,1053 12.635,1054 2.221,1055 8.512,1056 23.461,1057 4.105,1058 14.335,1059 18.374,1060 0.852,1061 28.69,1062 13.727,1063 2.061,1064 6.687,1065 25.304,1066 3.341,1067 15.426,1068 19.815,1069 0.273,1070 30.988,1071 14.769,1072 2.06,1073 6.118,1074 27.153,1075 2.905,1076 16.55,1077 21.313,1078 0.706,1079 33.319,1080 15.849,1081 1.982,1082 5.882,1083 29.005,1084 2.811,1085 17.658,1086 22.778,1087 0.236,1088 35.632,1089 16.908,1090 8199,1091 14359,1092 18.611,1093 31.489,1094 42.754,1095 43.946,1096 45.857,1097 42.553,1098 42.693,1099 55.896,1100 7.338,1101 125.828,1102 39.622,1103 5.384,1104 5.386,1105 6.07,1106 5.138,1107 5.107,1108 7.495,1109 1.776,1110 17.197,1111 4.972,1112 16.494,1113 1.474,1114 1.515,1115 1.581,1116 1.467,1117 1.472,1118 1.927,1119 0.253,1120 4.339,1121 1.366,1122 4.061,1123 4.103,1124 4.035,1125 3.932,1126 5.325,1127 3.952,1128 3.935,1129 3.949,1130 3.899,1131 3.834,1132 4.983,1133 3.847,1134 3.573,1135 3.642,1136 3.502,1137 3.35,1138 4.972,1139 3.38,1140 3.317,1141 3.386,1142 3.206,1143 3.089,1144 4.816,1145 3.109,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.216,1153 3.295,1154 3.007,1155 2.92,1156 4.465,1157 2.922,1158 3.153,1159 3.247,1160 3.002,1161 2.886,1162 4.312,1163 2.88,1164 3.108,1165 3.223,1166 2.934,1167 2.811,1168 4.147,1169 2.848,1170 0.157,1171 0.117,1172 0.225,1173 0.14,1174 0.107,1175 4.55,1176 0.155,1177 3.386,1178 0.032,1179 6.528,1180 0.354,1181 4.063,1182 0.102,1183 3.107,1184 4.495,1185 0.916,1186 10.276,1187 2.972,1188 1.973,1189 1.94,1190 2.036,1191 2.125,1192 1.197,1193 2.099,1194 1.883,1195 1.869,1196 1.958,1197 2.008,1198 1.066,1199 1.993,1200 1.488,1201 1.423,1202 1.692,1203 1.748,1204 0.778,1205 1.732,1206 1.249,1207 1.186,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.571,1215 1.528,1216 0.581,1217 1.537,1218 1.169,1219 1.082,1220 1.543,1221 1.496,1222 0.567,1223 1.508,1224 1.132,1225 1.033,1226 1.432,1227 1.421,1228 0.441,1229 1.45,1230 0.997,1231 0.898,1232 1.269,1233 1.376,1234 0.33,1235 1.356,1236 4.078,1238 5.407,1240 6.944,1242 8.579,1244 10.264,1246 6.7,1250 11.566,1252 0.583,1254 16.183,1257 2.017,1262 30.487,1263 81.69,1264 180.043,1265 213.572,1266 223.082,1267 225.837,1268 234.101,1269 41.985,1270 7.3,1271 121.64,1272 121.64,1273 18,1274 12.537,1275 4.17,1276 3.248,1277 47.044,1278 105,1279 97,1280 0.223,1281 190.588,1282 321.43,1283 456.794,1284 13867,1286 19.552,1287 0.724,1288 0.581,1289 19.552,1290 15.685,1291 12.96,1292 0.447,1293 0.281,1294 7.929,1295 12.135,1296 7.607,1297 6.42,1298 12.96,1299 8.152,1300 11.51,1301 0.281,1302 0.144,1303 11.51,1304 5.921,1305 9.812,1306 0.178,1307 0.076,1308 9.812,1309 4.169,1310 8.434,1311 0.117,1312 0.039,1313 8.434,1314 2.842,1315 6.603,1316 0.074,1317 0.021,1318 6.603,1319 1.888,1320 0.349,1321 83.615,1322 0.232,1323 25.781,1324 0.611,1325 140,1326 466.412,1327 158.877,1328 440.809,1329 603.69,1330 414,1331 166,1332 445.89,1333 185.875,1334 455.779,1335 661.65,1336 420,1337 7.481}
{0 CHEMBL32220,1 1.567,2 10.923,3 2.284,4 5.218,5 102.534,6 7.873,7 0.759,8 3.911,9 4.04,10 3.524,11 3.444,12 5.108,13 3.448,14 4.378,15 4.54,16 3.88,17 3.823,18 5.55,19 3.807,20 4.567,21 4.742,22 3.967,23 3.964,24 5.671,25 3.932,26 4.662,27 4.86,28 3.883,29 3.956,30 5.779,31 3.887,32 4.702,33 4.948,34 3.68,35 3.886,36 5.694,37 3.777,38 4.575,39 4.834,40 3.457,41 3.742,42 5.486,43 3.612,44 4.415,45 4.68,46 3.41,47 3.615,48 5.335,49 3.505,50 4.274,51 4.524,52 3.432,53 3.505,54 5.268,55 3.438,56 0.066,57 0.708,58 8.261,59 3.37,60 11.8,61 4.298,62 0.254,63 1.079,64 14.786,65 5.933,66 25.299,67 7.602,68 0.179,69 1.281,70 17.997,71 6.942,72 19.939,73 9.254,74 0.289,75 1.344,76 20.885,77 8.024,78 37.383,79 10.79,80 0.346,81 1.309,82 24.141,83 8.357,84 40.043,85 11.771,86 0.321,87 1.106,88 22.113,89 7.634,90 35.285,91 10.907,92 0.23,93 0.959,94 18.924,95 6.616,96 28.658,97 9.565,98 0.171,99 0.861,100 15.919,101 5.338,102 21.91,103 7.715,104 11,105 41,106 0.267,107 0.628,108 0.783,109 0.867,110 0.882,111 0.89,112 3.304,113 0.841,114 -4.21,115 -4.16,116 -3.93,119 43.2,124 1,125 1,139 7,140 4,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 10,169 2,170 5,172 3,173 3,175 3,178 11,180 1,182 6,185 1,187 4,189 9,191 1,192 1,193 3,195 3,196 3,197 1,198 4,200 2,201 6,204 1,205 1,207 2,210 2,211 1,212 3,214 1,215 5,218 1,221 2,224 1,226 1,229 5,234 5,238 1,239 1,240 1,241 5,243 1,246 7,251 2,254 3,256 2,259 1,260 8,265 4,268 1,270 4,273 900,274 17.817,275 17.817,276 17.817,277 17.817,278 17.817,279 15.201,280 20.35,281 10.389,282 18.281,283 14.258,284 14.258,285 14.258,286 14.258,287 14.258,288 10.266,289 27.999,290 4.836,291 14.924,292 3.893,293 1.781,294 0.873,295 0.381,296 0.29,297 0.244,298 4.005,300 1,301 1,302 1,303 623,304 2.739,307 250.712,311 213.645,314 1.479,315 19.924,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 56,327 284,328 4.587,329 3.263,330 6.697,331 4.126,332 3.138,333 4.539,334 0.86,335 10.849,336 3.103,337 4.54,338 3.119,339 6.502,340 4.034,341 3.076,342 4.49,343 0.657,344 10.174,345 2.949,346 3.79,347 2.73,348 5.698,349 3.404,350 2.454,351 3.243,353 7.549,354 2.332,355 3.67,356 2.498,357 5.308,358 3.253,359 2.297,360 3.099,362 6.849,363 2.192,364 3.429,365 2.184,366 5.062,367 2.973,368 2.043,369 2.811,371 5.803,372 1.901,373 3.388,374 2.085,375 4.972,376 2.912,377 1.971,378 2.742,380 5.756,381 1.869,382 3.335,383 2,384 4.772,385 2.861,386 1.899,387 2.678,389 5.086,390 1.794,391 2.784,392 1.359,393 3.81,394 2.291,395 1.294,396 1.923,398 2.863,399 1.29,400 2.523,401 1.273,402 3.71,403 2.088,404 1.11,405 1.531,407 2.768,408 1.083,409 2.453,410 1.151,411 3.597,412 1.945,413 1.008,414 1.433,415 2.565,416 0.942,417 2.051,418 1.057,419 3.294,420 1.774,421 0.849,422 0.985,423 1.86,424 0.78,425 1.672,426 0.74,427 2.93,428 1.35,429 0.446,430 0.526,431 0.838,432 0.4,433 1.35,434 0.255,435 2.708,436 0.952,437 0.031,438 0.04,439 0.07,440 0.029,441 1.024,442 -0.045,443 2.558,444 0.635,445 -0.303,446 -0.38,448 -0.641,449 -0.282,450 0.953,451 -0.298,452 2.461,453 0.466,454 -0.451,455 -0.58,457 -1.155,458 -0.412,459 12.233,460 0.471,461 0.606,462 0.023,463 39.5,464 1.519,465 22,466 0.846,467 17.5,468 0.673,469 16.652,470 0.64,471 26.767,472 0.608,473 28.351,474 1.09,475 7.951,476 0.306,477 4.701,478 0.181,479 0.106,481 0.368,485 1.074,486 1.183,487 0.777,488 0.919,489 1.232,490 0.811,491 0.959,492 0.85,493 0.778,494 0.838,495 0.639,496 0.804,497 0.993,498 1.176,499 0.916,500 1.062,501 0.823,502 0.99,503 0.895,504 1.108,505 1.09,506 1.239,507 0.773,508 1.212,509 0.947,510 0.949,511 1.137,512 1.099,513 0.967,514 1.141,515 0.923,516 0.915,517 1.103,518 1.026,519 0.98,520 1.086,521 0.736,522 0.832,523 0.886,524 0.893,525 0.761,526 0.908,527 0.868,528 0.948,529 0.795,530 0.847,531 0.751,532 0.807,533 5,534 0.173,535 3.111,536 1.813,537 1.764,538 0.653,539 0.362,540 0.299,541 0.25,542 0.198,543 8345,544 22883,545 2.124,546 40.9,548 12,550 1,551 5,555 1.688,556 2,557 3.401,558 2.558,559 1,560 1,564 68.936,565 1.567,566 3.678,567 4.587,568 5.079,569 5.17,570 5.215,571 2.83,572 4.239,573 4.677,574 3.538,575 1149.8,576 8.086,577 14359.9,579 1,581 1,582 240.215,583 1.37,584 4.637,585 0.172,586 0.009,587 0.076,588 0.041,589 0.046,590 0.022,591 0.015,592 0.012,593 0.01,594 0.008,595 0.412,596 0.17,597 1,598 0.721,599 127.42,600 -0.164,601 -0.021,602 0.021,603 0.057,604 -0.28,605 0.074,606 0.093,607 0.233,608 0.095,609 0.15,610 0.174,611 0.117,612 -0.084,613 -0.11,614 -0.039,615 -0.078,616 -0.04,617 -0.055,618 0.056,619 -0.092,620 -0.17,621 -0.256,622 0.117,623 -0.257,624 -0.04,625 0.002,626 -0.147,627 -0.116,628 -0.073,629 -0.145,630 -0.045,631 -0.014,632 -0.089,633 -0.017,634 -0.137,635 -0.054,636 0.027,637 0.071,638 0.128,639 0.124,640 0.039,641 0.14,642 -0.02,643 -0.003,644 0.206,645 0.145,646 0.083,647 0.206,648 1.548,649 1.948,650 0.769,651 20.864,652 1.005,653 1.129,654 2.985,655 8.91,656 0.683,657 3.401,658 3.738,659 4.043,660 4.331,661 4.585,662 4.605,663 4.673,664 4.754,665 4.898,666 4.898,667 6.344,668 0.659,669 346.43,670 3.401,671 4.949,672 5.814,673 6.703,674 7.583,675 8.475,676 9.359,677 10.251,678 11.136,679 12.027,680 13.6,684 2,685 1,690 3,694 4,695 8,696 3,700 5,702 22,711 2,712 1,716 1,718 44,719 22,720 2,721 29,723 47,724 19,725 17,726 4,727 6,729 4,730 6,741 17,742 2,753 1,754 1,757 18,758 7,759 5,760 7,764 6,769 0.5,770 1,775 1,776 1,781 4,785 2,802 2,806 1,810 26,811 2,816 1,817 1,818 1,829 2.3,834 1,836 13,837 8.1,838 5.722,839 2.344,840 4.498,841 1.587,842 1.041,843 4.288,844 12.165,845 3.714,846 4.407,847 5.086,848 5.739,849 6.354,850 6.635,851 6.995,852 7.354,853 7.78,854 7.822,855 1,856 44,857 9.512,859 4.027,860 7.712,861 18.051,863 14.684,865 2.212,866 57.5,870 153.024,871 113.217,872 134.162,874 11,877 113.217,878 164.024,879 134.162,880 10.883,881 2.106,882 132.128,883 80.138,884 40.667,885 4.227,886 141.253,888 153.024,889 247.379,890 11,893 154.74,894 11,897 13.052,898 164.244,899 68.367,901 153.024,902 145.162,903 113.217,906 153.024,907 26.953,908 86.264,909 18.011,910 127.151,911 153.024,912 145.162,913 113.217,915 0.582,916 0.352,917 0.201,918 0.112,919 21,920 9,921 0.085,922 4,923 2,924 1.2,925 3.808,926 223.307,927 0.2,928 20,929 122.211,933 16.517,934 6.75,935 3.157,936 3.377,937 145.162,938 15.783,939 12.385,943 3.284,945 83.805,946 411.403,947 40,956 44.24,957 49.69,958 0.287,959 0.674,960 0.84,961 0.93,962 0.947,963 0.955,964 4.938,965 1.294,966 5.802,967 5.086,968 4.419,969 5.094,970 1.207,971 6.632,972 4.337,973 6.176,974 1.11,975 7.371,976 2.863,977 4.007,978 5.007,980 7.564,981 3.898,982 7.506,983 1.008,984 9.039,985 2.768,986 6.028,987 7.44,988 0.903,989 10.678,990 5.885,991 8.876,992 0.849,993 10.767,994 2.565,995 6.431,996 8.187,998 12.44,999 6.268,1000 10.277,1001 0.446,1002 12.532,1003 1.86,1004 7.92,1005 10.088,1006 0.678,1007 15.074,1008 7.732,1009 11.701,1010 0.031,1011 14.325,1012 0.838,1013 8.712,1014 11.239,1016 17.184,1017 8.507,1018 13.144,1019 -0.303,1020 16.137,1021 0.07,1022 9.985,1023 12.916,1024 0.512,1025 19.65,1026 9.759,1027 3.138,1028 -0.451,1029 17.964,1030 -0.641,1031 10.963,1032 14.262,1034 21.907,1035 10.721,1036 3.076,1037 10.849,1038 19.803,1039 -1.155,1040 12.149,1041 15.843,1042 0.387,1043 24.311,1044 11.888,1045 2.454,1046 10.174,1047 21.652,1048 4.539,1049 13.213,1050 17.278,1052 26.63,1053 12.935,1054 2.297,1055 7.549,1056 23.508,1057 4.49,1058 14.365,1059 18.817,1060 0.293,1061 29.01,1062 14.068,1063 2.043,1064 6.849,1065 25.37,1066 3.243,1067 15.468,1068 20.293,1070 31.356,1071 15.153,1072 1.971,1073 5.803,1074 27.238,1075 3.099,1076 16.607,1077 21.814,1078 0.221,1079 33.728,1080 16.275,1081 1.899,1082 5.756,1083 29.109,1084 2.811,1085 17.727,1086 23.308,1088 36.086,1089 17.377,1090 7875,1091 13177,1092 19.592,1093 30.057,1094 43.34,1095 43.836,1096 44.845,1097 43.181,1098 43.233,1099 60.082,1100 3.035,1101 126.065,1102 41.326,1103 5.418,1104 5.263,1105 6.376,1106 5.201,1107 5.138,1108 7.539,1109 1.72,1110 18.041,1111 5.103,1112 11.578,1113 1.494,1114 1.512,1115 1.546,1116 1.489,1117 1.491,1118 2.072,1119 0.105,1120 4.347,1121 1.425,1122 4.11,1123 4.135,1124 4.072,1125 4.057,1126 5.325,1127 4.056,1128 4.025,1129 4.061,1130 4.001,1131 3.902,1132 4.983,1133 3.923,1134 3.557,1135 3.624,1136 3.48,1137 3.429,1138 4.95,1139 3.426,1140 3.467,1141 3.513,1142 3.379,1143 3.286,1144 4.822,1145 3.311,1146 3.313,1147 3.371,1148 3.2,1149 3.108,1150 4.544,1151 3.122,1152 3.11,1153 3.225,1154 3.003,1155 2.841,1156 4.321,1157 2.851,1158 3.082,1159 3.179,1160 2.889,1161 2.812,1162 4.175,1163 2.827,1164 2.894,1165 2.968,1166 2.754,1167 2.714,1168 3.99,1169 2.717,1170 0.158,1171 0.113,1172 0.231,1173 0.142,1174 0.108,1175 4.587,1176 0.157,1177 3.263,1178 0.03,1179 6.697,1180 0.374,1181 4.126,1182 0.107,1183 3.138,1184 4.539,1185 0.86,1186 10.849,1187 3.103,1188 2.078,1189 2.062,1190 2.153,1191 2.147,1192 1.329,1193 2.147,1194 1.957,1195 1.923,1196 2.007,1197 2.103,1198 1.083,1199 2.08,1200 1.531,1201 1.486,1202 1.707,1203 1.716,1204 0.822,1205 1.709,1206 1.406,1207 1.35,1208 1.609,1209 1.623,1210 0.636,1211 1.624,1212 1.253,1213 1.197,1214 1.512,1215 1.519,1216 0.533,1217 1.526,1218 1.073,1219 0.981,1220 1.37,1221 1.381,1222 0.362,1223 1.369,1224 0.997,1225 0.9,1226 1.267,1227 1.329,1228 0.224,1229 1.342,1230 0.881,1231 0.805,1232 1.156,1233 1.086,1234 0.054,1235 1.111,1236 4.078,1238 5.407,1240 6.95,1242 8.594,1244 10.29,1246 1.68,1250 11.533,1252 0.632,1253 3.379,1254 5.448,1262 29.004,1263 68.936,1264 161.834,1265 201.809,1266 223.46,1267 227.46,1268 229.46,1269 32.093,1270 7.668,1271 111.97,1272 111.97,1273 24,1274 12.556,1275 4.524,1276 3.585,1277 38.186,1278 102,1279 90,1280 0.187,1281 178.939,1282 292.61,1283 428.372,1284 23612,1286 18.096,1287 0.696,1288 0.547,1289 18.096,1290 14.23,1291 12.652,1292 0.436,1293 0.28,1294 8,1295 12.166,1296 7.806,1297 6.498,1298 12.652,1299 8.127,1300 11.352,1301 0.277,1302 0.144,1303 11.352,1304 5.888,1305 9.831,1306 0.176,1307 0.076,1308 9.831,1309 4.275,1310 8.564,1311 0.114,1312 0.04,1313 8.564,1314 3.012,1315 7.109,1316 0.073,1317 0.021,1318 7.109,1319 2.08,1320 0.295,1321 79.331,1322 0.226,1323 25.078,1324 0.507,1325 140,1326 393.628,1327 152.759,1328 389.32,1329 546.45,1330 366,1331 167,1332 417.024,1333 179.51,1334 427.159,1335 624.86,1336 401,1337 6.367}
{0 CHEMBL322315,1 1.743,2 9.48,3 2.821,4 7.958,5 101.613,6 8.011,7 0.593,8 3.922,9 4.032,10 3.585,11 3.428,12 5.102,13 3.409,14 4.419,15 4.584,16 3.979,17 3.797,18 5.53,19 3.761,20 4.475,21 4.588,22 4.087,23 3.952,24 5.628,25 3.902,26 4.685,27 4.834,28 4.139,29 4.042,30 5.804,31 3.953,32 4.831,33 5.034,34 3.826,35 4.001,36 5.818,37 3.881,38 4.711,39 4.93,40 3.735,41 3.897,42 5.622,43 3.755,44 4.697,45 4.99,46 3.714,47 3.755,48 5.56,49 3.619,50 4.487,51 4.722,52 3.58,53 3.607,54 5.476,55 3.495,56 0.091,57 0.673,58 9.373,59 4.16,60 11.865,61 4.909,62 0.416,63 1.013,64 19.766,65 7.137,66 31.69,67 8.326,68 0.385,69 1.161,70 19.362,71 7.788,72 19.02,73 8.881,74 0.348,75 1.366,76 26.586,77 9.874,78 27.305,79 12.012,80 0.721,81 1.376,82 35.187,83 10.523,84 55.389,85 12.225,86 0.409,87 1.213,88 27.12,89 9.802,90 34.104,91 12.726,92 0.386,93 1.134,94 30.175,95 9.434,96 39.671,97 13.194,98 0.467,99 0.955,100 27.586,101 8.005,102 34.019,103 9.773,104 46,105 39,106 0.302,107 0.621,108 0.724,109 0.75,110 0.76,111 0.792,112 3.268,113 0.933,114 -3.16,115 -3.15,116 -3.03,119 37.8,120 1,121 1,124 3,139 2,140 3,141 3,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 5,169 1,170 5,172 3,173 3,175 1,178 8,180 1,181 2,182 6,187 1,189 5,191 1,192 1,193 9,195 1,196 1,197 1,198 4,200 2,201 6,204 4,205 1,207 3,212 2,215 4,218 2,221 7,226 3,231 3,234 8,239 3,243 3,245 2,246 2,251 2,256 2,259 3,262 2,263 2,273 817,274 16.782,275 16.782,276 16.782,277 16.782,278 16.782,279 14.778,280 24.61,281 9.505,282 17.638,283 13.11,284 13.11,285 13.11,286 13.11,287 13.11,288 9.868,289 33.834,290 4.219,291 14.249,292 3.748,293 1.902,294 1.307,295 1.156,296 1.095,297 0.912,298 3.942,300 1,301 1,302 1,303 497,304 3,306 52.599,307 149.957,310 102.955,314 1.341,315 23.57,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 55,327 237,328 4.7,329 3.411,330 6.875,331 4.207,332 3.262,333 4.676,334 0.86,335 11.408,336 3.087,337 4.419,338 3.338,339 6.523,340 4.005,341 3.058,342 4.105,343 0.86,344 10.261,345 2.892,346 3.872,347 2.792,348 5.773,349 3.465,350 2.528,351 3.343,352 0.86,353 7.858,354 2.366,355 3.549,356 2.555,357 5.258,358 3.16,359 2.206,360 2.891,361 0.68,362 6.543,363 2.095,364 3.416,365 2.427,366 5.19,367 2.972,368 2.061,369 2.787,371 6.118,372 1.867,373 3.355,374 2.134,375 5.123,376 2.905,377 2.006,378 2.604,380 5.99,381 1.798,382 3.181,383 1.971,384 4.938,385 2.695,386 1.777,387 2.441,389 5.435,390 1.606,391 2.53,392 1.87,393 4.231,394 2.132,395 1.234,396 1.539,398 3.372,399 1.091,400 2.193,401 1.476,402 3.776,403 1.941,404 1.11,405 1.177,407 2.362,408 0.915,409 1.576,410 1.015,411 3.028,412 1.27,413 0.396,414 0.452,415 0.603,416 0.342,417 1.448,418 0.916,419 2.859,420 1.193,421 0.348,422 0.373,423 0.49,424 0.291,425 1.27,426 0.377,427 2.724,428 0.958,429 0.038,430 0.045,431 0.087,432 0.034,433 1.143,434 0.123,435 2.532,436 0.729,437 -0.183,438 -0.229,439 -0.466,440 -0.166,441 0.916,442 -0.053,443 2.484,444 0.511,445 -0.395,446 -0.491,448 -0.87,449 -0.353,450 0.655,451 -0.297,452 2.3,453 0.309,454 -0.583,455 -0.672,457 -1.309,458 -0.515,459 11.933,460 0.477,461 0.695,462 0.028,463 33,464 1.32,465 16.5,466 0.66,467 16.5,468 0.66,469 21.543,470 0.862,471 27.667,472 0.615,473 23.908,474 0.956,475 6.639,476 0.266,477 5.338,478 0.214,479 0.235,481 0.419,485 1.004,486 1.223,487 0.764,488 0.995,489 1.181,490 0.914,491 1.225,492 0.648,493 0.713,494 0.629,495 0.792,496 0.57,497 0.896,498 1.211,499 1.071,500 1.134,501 0.861,502 1.018,503 0.735,504 1.453,505 1.144,506 1.499,507 0.63,508 1.309,509 1.652,510 0.894,511 1.523,512 1.086,513 1.51,514 1.117,515 0.886,516 1.134,517 0.945,518 1.156,519 0.899,520 1.259,521 0.582,522 0.822,523 0.561,524 0.755,525 0.67,526 0.725,527 1.06,528 0.988,529 1.269,530 1.134,531 0.899,532 0.9,533 6,534 0.138,535 2.889,536 3.167,537 1.854,538 1.021,539 0.456,540 0.456,541 0.344,542 0.246,543 6326,544 19383,545 1.992,546 44.4,547 3,548 11,551 4,552 2,555 1.683,556 1.807,557 3.215,558 1.815,559 1,560 1,564 78.453,565 1.743,566 3.59,567 4.185,568 4.335,569 4.397,570 4.58,571 2.615,572 3.783,573 4.619,574 3.352,575 1005.62,576 7.999,577 11967,579 1,581 1,582 247.133,583 1.554,584 4.541,585 0.222,586 0.01,587 0.074,588 0.074,589 0.045,590 0.033,591 0.018,592 0.017,593 0.014,594 0.012,595 0.519,596 0.17,597 1,598 1.047,599 119.184,600 -0.119,601 -0.039,602 0.053,603 0.016,604 -0.225,605 0.037,606 -0.05,607 0.396,608 0.267,609 0.405,610 0.131,611 0.398,612 0.075,613 -0.029,614 -0.059,615 -0.003,616 -0.03,617 -0.047,618 0.121,619 -0.362,620 -0.073,621 -0.344,622 0.189,623 -0.297,624 -0.416,625 0.108,626 -0.41,627 -0.033,628 -0.435,629 -0.163,630 -0.061,631 -0.21,632 -0.086,633 -0.206,634 -0.136,635 -0.249,636 0.133,637 0.028,638 0.38,639 0.166,640 0.175,641 0.311,642 0.001,643 -0.035,644 -0.041,645 -0.013,646 0.075,647 0.113,648 1.481,649 2.013,650 0.6,651 19.133,652 1.012,653 1.13,654 1.93,655 3.726,656 0.669,657 3.332,658 3.689,659 4.007,660 4.317,661 4.477,662 4.564,663 4.644,664 4.745,665 4.812,666 4.86,667 5.701,668 0.636,669 360.48,670 3.332,671 4.89,672 5.765,673 6.673,674 7.564,675 8.476,676 9.371,677 10.284,678 11.183,679 12.096,680 8.9,684 2,690 2,694 2,695 2,696 2,699 1,700 8,702 16,711 2,716 3,718 45,719 16,720 1,721 27,723 47,724 17,725 12,726 4,727 2,729 3,730 4,734 1,739 1,741 12,742 5,753 1,754 1,757 20,758 7,759 4,760 8,761 1,764 4,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,804 1,806 4,810 25,811 2,816 1,818 3,825 1,829 6.7,834 3,836 13.833,837 9.4,838 5.667,839 2.283,840 3.162,841 1.439,842 0.975,843 5.198,844 10.369,845 3.584,846 4.273,847 4.932,848 5.582,849 6.084,850 6.427,851 6.776,852 7.178,853 7.444,854 7.77,855 1,856 43,857 9.157,859 3.776,860 7.76,861 17.302,863 13.687,865 2.26,866 56.5,869 1,870 188.338,871 124.816,872 99.365,874 33,876 31.278,877 93.538,878 221.337,879 99.365,880 41.474,881 2.535,882 84.747,883 33.888,884 57.674,885 5.585,886 219.615,888 188.338,889 192.904,890 33,891 31.278,893 188.338,894 33,897 13.576,898 145.757,899 33.571,900 31.278,901 188.338,902 132.365,903 124.816,906 188.338,907 64.389,908 60.427,910 132.365,911 188.338,912 132.365,913 124.816,915 0.582,916 0.368,917 0.214,918 0.108,919 19,920 10,921 0.106,922 5,923 1,924 1.133,925 3.511,926 210.72,927 0.133,928 15,929 108.096,930 1,933 18.013,934 7.215,935 3.327,936 1.659,937 132.365,938 3.878,939 8.345,942 1.56,943 5.645,945 65.794,946 445.519,947 35,956 45.534,957 50.863,958 0.317,959 0.654,960 0.762,961 0.789,962 0.801,963 0.834,964 4.836,965 1.234,966 5.784,967 5.435,968 4.369,969 4.959,970 1.85,971 6.658,972 4.22,973 6.089,974 1.11,975 7.387,976 3.372,977 4.111,978 5.007,980 7.67,981 3.924,982 7.438,983 0.396,984 9.086,985 2.362,986 6.028,987 7.299,988 1.55,989 10.793,990 5.77,991 8.826,992 0.348,993 10.838,994 0.603,995 6.553,996 8.135,998 12.608,999 6.25,1000 10.242,1001 0.038,1002 12.625,1003 0.49,1004 7.98,1005 9.95,1006 1.288,1007 15.268,1008 7.625,1009 11.68,1010 -0.183,1011 14.437,1012 0.087,1013 8.862,1014 11.155,1016 17.431,1017 8.453,1018 13.136,1019 -0.395,1020 16.267,1021 -0.466,1022 10.112,1023 12.789,1024 1.06,1025 19.93,1026 9.656,1027 3.262,1028 -0.583,1029 18.112,1030 -0.87,1031 11.153,1032 14.168,1034 22.24,1035 10.639,1036 3.058,1037 11.408,1038 19.97,1039 -1.309,1040 12.34,1041 15.732,1042 0.863,1043 24.682,1044 11.779,1045 2.528,1046 10.261,1047 21.837,1048 4.676,1049 13.451,1050 17.192,1052 27.053,1053 12.832,1054 2.206,1055 7.858,1056 23.713,1057 4.105,1058 14.618,1059 18.73,1060 0.694,1061 29.476,1062 13.949,1063 2.061,1064 6.543,1065 25.595,1066 3.343,1067 15.759,1068 20.227,1070 31.873,1071 15.032,1072 2.006,1073 6.118,1074 27.484,1075 2.891,1076 16.922,1077 21.758,1078 0.551,1079 34.292,1080 16.143,1081 1.777,1082 5.99,1083 29.377,1084 2.787,1085 18.076,1086 23.273,1088 36.701,1089 17.241,1090 6329,1091 11197,1092 17.224,1093 30.125,1094 39.961,1095 41.456,1096 43.654,1097 39.943,1098 40.05,1099 52.867,1100 6.52,1101 121.054,1102 36.77,1103 5.484,1104 5.411,1105 6.418,1106 5.337,1107 5.262,1108 7.676,1109 1.72,1110 18.558,1111 5.087,1112 15.499,1113 1.48,1114 1.535,1115 1.617,1116 1.479,1117 1.483,1118 1.958,1119 0.241,1120 4.483,1121 1.362,1122 4.091,1123 4.108,1124 4.339,1125 4.081,1126 5.303,1127 4.037,1128 3.914,1129 3.925,1130 3.89,1131 3.823,1132 4.982,1133 3.83,1134 3.476,1135 3.536,1136 3.515,1137 3.286,1138 4.97,1139 3.302,1140 3.303,1141 3.355,1142 3.153,1143 3.041,1144 4.613,1145 3.05,1146 3.27,1147 3.336,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.201,1153 3.281,1154 3.113,1155 2.921,1156 4.462,1157 2.899,1158 3.074,1159 3.188,1160 2.97,1161 2.89,1162 4.218,1163 2.845,1164 2.99,1165 3.092,1166 2.82,1167 2.711,1168 4.052,1169 2.714,1170 0.174,1171 0.126,1172 0.255,1173 0.156,1174 0.121,1175 4.7,1176 0.173,1177 3.411,1178 0.032,1179 6.875,1180 0.423,1181 4.207,1182 0.114,1183 3.262,1184 4.676,1185 0.86,1186 11.408,1187 3.087,1188 1.911,1189 1.899,1190 1.996,1191 2.017,1192 1.214,1193 2.008,1194 1.818,1195 1.788,1196 1.876,1197 1.975,1198 1.012,1199 1.948,1200 1.543,1201 1.531,1202 1.641,1203 1.676,1204 0.804,1205 1.698,1206 1.227,1207 1.163,1208 1.59,1209 1.558,1210 0.59,1211 1.565,1212 1.227,1213 1.16,1214 1.573,1215 1.518,1216 0.584,1217 1.537,1218 1.163,1219 1.075,1220 1.554,1221 1.478,1222 0.568,1223 1.506,1224 1.045,1225 0.969,1226 1.346,1227 1.351,1228 0.498,1229 1.342,1230 0.945,1231 0.826,1232 1.263,1233 1.248,1234 0.09,1235 1.306,1236 4.007,1238 5.352,1239 2.398,1240 6.899,1241 4.844,1242 8.543,1243 7.034,1244 10.238,1246 6.805,1250 11.715,1252 0.683,1254 16.209,1262 28.632,1263 78.453,1264 161.566,1265 188.339,1266 195.094,1267 197.849,1268 206.114,1269 38.765,1270 7.206,1271 105.51,1272 133.75,1273 17,1274 12.612,1275 4.087,1276 3.17,1277 41.691,1278 87,1279 74,1280 0.243,1281 181.465,1282 303.28,1283 434.535,1284 11598,1286 18.137,1287 0.725,1288 0.614,1289 18.491,1290 15.36,1291 11.977,1292 0.444,1293 0.311,1294 7.476,1295 10.879,1296 7.071,1297 5.945,1298 12.385,1299 8.395,1300 10.728,1301 0.275,1302 0.169,1303 11.37,1304 6.591,1305 9.276,1306 0.172,1307 0.096,1308 10.068,1309 5.209,1310 8.369,1311 0.113,1312 0.055,1313 9.408,1314 4.051,1315 6.167,1316 0.071,1317 0.03,1318 7.016,1319 2.65,1320 0.375,1321 80.685,1322 0.241,1323 23.841,1324 0.689,1325 132,1326 425.982,1327 173.198,1328 423.217,1329 581.6,1330 398,1331 159,1332 413.703,1333 197.569,1334 438.511,1335 642.66,1336 406,1337 4.292}
{0 CHEMBL322585,1 1.688,2 9.542,3 3.294,4 10.848,5 99.751,6 7.829,7 0.615,8 3.889,9 4.007,10 3.538,11 3.431,12 5.036,13 3.394,14 4.388,15 4.558,16 3.93,17 3.81,18 5.475,19 3.748,20 4.494,21 4.647,22 3.989,23 3.948,24 5.545,25 3.867,26 4.651,27 4.815,28 3.962,29 4.009,30 5.691,31 3.88,32 4.763,33 5.008,34 3.654,35 3.936,36 5.658,37 3.761,38 4.651,39 4.923,40 3.65,41 3.797,42 5.463,43 3.636,44 4.482,45 4.71,46 3.644,47 3.681,48 5.445,49 3.569,50 4.442,51 4.682,52 3.517,53 3.624,54 5.392,55 3.497,56 0.055,57 0.665,58 9.455,59 4.09,60 10.863,61 5.016,62 0.297,63 1.02,64 19.016,65 7.193,66 27.542,67 8.745,68 0.174,69 1.173,70 21.153,71 8.155,72 15.673,73 9.746,74 0.246,75 1.341,76 28.11,77 9.938,78 26.106,79 12.19,80 0.47,81 1.335,82 31.691,83 10.268,84 44.158,85 13.411,86 0.287,87 1.132,88 28.465,89 9.651,90 30.262,91 12.906,92 0.327,93 0.988,94 23.43,95 7.531,96 32.527,97 9.466,98 0.269,99 0.951,100 23.958,101 7.839,102 25.824,103 9.992,104 30,105 37,106 0.293,107 0.634,108 0.763,109 0.821,110 0.837,111 0.861,112 3.229,113 0.965,114 -3.92,115 -3.87,116 -3.68,119 38.6,120 1,121 2,124 2,139 3,140 3,141 2,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 6,169 1,170 7,172 3,173 3,175 1,178 9,180 1,182 7,187 1,189 9,191 1,193 6,195 1,196 1,197 1,198 4,200 2,201 6,204 4,205 1,206 1,207 3,212 2,215 5,218 2,221 4,226 3,229 4,231 3,234 6,239 2,241 4,243 2,245 1,246 4,251 2,254 2,256 2,259 2,260 2,262 1,263 1,265 2,270 2,273 746,274 16.118,275 16.118,276 16.118,277 16.118,278 16.118,279 14.115,280 20.032,281 9.224,282 16.816,283 12.671,284 12.671,285 12.671,286 12.671,287 12.671,288 9.505,289 22.497,290 4.189,291 13.654,292 3.771,293 1.809,294 1.069,295 0.733,296 0.642,297 0.506,298 3.905,300 1,301 1,302 1,303 484,304 2.915,306 49.382,307 144.166,310 96.463,314 1.33,315 19.71,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52,327 229,328 4.697,329 3.359,330 6.873,331 4.201,332 3.257,333 4.675,334 0.86,335 11.395,336 3.079,337 4.267,338 3.176,339 6.174,340 3.872,341 2.903,342 3.911,343 0.86,344 9.173,345 2.81,346 3.845,347 2.696,348 5.714,349 3.407,350 2.482,351 3.325,353 7.564,354 2.291,355 3.545,356 2.649,357 5.221,358 3.164,359 2.24,360 2.857,362 6.492,363 2.063,364 3.442,365 2.218,366 5.143,367 2.967,368 2.055,369 2.816,371 6.061,372 1.868,373 3.246,374 2.044,375 4.963,376 2.759,377 1.857,378 2.518,380 5.556,381 1.657,382 2.923,383 1.901,384 4.423,385 2.57,386 1.61,387 2.061,389 4.299,390 1.534,391 2.558,392 1.563,393 4.232,394 2.184,395 1.252,396 1.574,398 3.419,399 1.153,400 2.002,401 1.246,402 3.294,403 1.684,404 0.789,405 0.923,407 1.621,408 0.696,409 1.75,410 0.916,411 3.017,412 1.471,413 0.566,414 0.654,415 1.146,416 0.504,417 1.446,418 0.642,419 2.735,420 1.177,421 0.321,422 0.353,423 0.44,424 0.272,425 1.146,426 0.176,427 2.699,428 0.778,429 -0.165,430 -0.197,431 -0.409,432 -0.154,433 1.026,434 0.004,435 2.537,436 0.626,437 -0.271,438 -0.343,439 -0.638,440 -0.241,441 0.795,442 -0.209,443 2.388,444 0.424,445 -0.487,446 -0.588,448 -1.06,449 -0.437,450 0.637,451 -0.334,452 2.206,453 0.264,454 -0.644,455 -0.748,457 -1.467,458 -0.576,459 11.6,460 0.483,461 0.644,462 0.027,463 31.5,464 1.313,465 16,466 0.667,467 15.5,468 0.646,469 20.506,470 0.854,471 26.2,472 0.595,473 21.239,474 0.885,475 6.14,476 0.256,477 5.388,478 0.225,479 0.198,481 0.388,485 1.007,486 1.163,487 0.78,488 0.944,489 1.197,490 0.9,491 1.071,492 0.733,493 0.731,494 0.732,495 0.653,496 0.693,497 1.084,498 1.16,499 1.082,500 1.094,501 0.907,502 1.006,503 0.896,504 1.474,505 1.412,506 1.605,507 0.808,508 1.422,509 0.946,510 0.964,511 1.24,512 1.102,513 1.158,514 1.162,515 0.707,516 0.862,517 0.777,518 0.9,519 0.663,520 0.89,521 1.324,522 0.882,523 0.981,524 0.911,525 1.27,526 0.918,527 0.917,528 1.035,529 1.073,530 1.095,531 0.786,532 0.956,533 5.5,534 0.127,535 2.889,536 2.479,537 1.543,538 0.796,539 0.412,540 0.357,541 0.302,542 0.204,543 6009,544 17324,545 2.015,546 45.5,547 5,548 9,551 4,552 2,555 1.67,556 1.846,557 3.229,558 1.819,559 1,560 1,564 74.29,565 1.688,566 3.65,567 4.391,568 4.726,569 4.817,570 4.953,571 2.606,572 4.335,573 4.56,574 3.371,575 930.307,576 7.871,577 10964.8,579 1,581 1,582 240.215,583 1.528,584 4.493,585 0.212,586 0.009,587 0.078,588 0.064,589 0.045,590 0.032,591 0.016,592 0.014,593 0.013,594 0.01,595 0.493,596 0.17,597 1,598 0.961,599 113.689,600 -0.111,601 0.011,602 0.052,603 0.055,604 -0.213,605 0.055,606 0.051,607 0.319,608 0.238,609 0.301,610 0.218,611 0.284,612 -0.152,613 -0.039,614 -0.053,615 0.005,616 -0.096,617 -0.02,618 -0.028,619 -0.395,620 -0.265,621 -0.426,622 0.019,623 -0.405,624 -0.074,625 0.012,626 -0.226,627 -0.105,628 -0.224,629 -0.176,630 0.063,631 0.016,632 0.185,633 0.076,634 0.094,635 0.137,636 -0.16,637 0.073,638 0.02,639 0.071,640 -0.196,641 0.052,642 0.04,643 -0.097,644 0.002,645 -0.047,646 0.085,647 0.056,648 1.456,649 2.001,650 0.625,651 18.083,652 1.005,653 1.128,654 2.689,655 7.232,656 0.674,657 3.296,658 3.638,659 3.932,660 4.205,661 4.369,662 4.454,663 4.454,664 4.511,665 4.564,666 4.585,667 5.788,668 0.634,669 344.48,670 3.296,671 4.844,672 5.707,673 6.6,674 7.479,675 8.378,676 9.264,677 10.165,678 11.054,679 11.957,680 9.1,684 2,690 2,694 2,695 3,696 2,699 1,700 7,702 16,711 2,716 2,718 44,719 16,720 1,721 26,723 46,724 17,725 12,726 3,727 3,729 3,730 4,734 1,739 2,741 12,742 5,753 1,754 1,757 20,758 6,759 4,760 7,761 1,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,804 1,806 3,810 24,811 2,816 2,818 2,825 1,829 4.5,834 2,836 13,837 8.817,838 5.389,839 2.374,840 3.169,841 1.447,842 0.987,843 4.99,844 10.262,845 3.555,846 4.23,847 4.872,848 5.496,849 5.994,850 6.286,851 6.543,852 6.876,853 7.015,854 7.193,855 1,856 39,857 8.802,859 3.633,860 7.701,861 16.809,863 13.462,865 2.201,866 52.833,869 1,870 188.338,871 120.7,872 99.365,874 22,876 31.278,877 89.422,878 210.337,879 99.365,880 30.591,881 5.069,882 94.223,883 33.888,884 41.431,885 5.585,886 219.615,888 188.338,889 188.788,890 22,891 31.278,893 188.338,894 22,897 16.11,898 139.107,899 33.571,900 31.278,901 188.338,902 121.365,903 120.7,906 188.338,907 61.68,908 59.02,910 121.365,911 188.338,912 121.365,913 120.7,915 0.583,916 0.357,917 0.196,918 0.101,919 18,920 9,921 0.109,922 5,923 1,924 1.133,925 3.523,926 194.566,927 0.133,928 15,929 110.039,930 1,933 17.082,934 7.011,935 3.389,936 1.743,937 121.365,938 5.829,939 8.353,942 1.612,943 5.779,945 65.794,946 430.403,947 34,956 44.207,957 49.654,958 0.309,959 0.669,960 0.804,961 0.866,962 0.882,963 0.907,964 4.796,965 1.252,966 5.714,967 4.299,968 4.317,969 4.916,970 1.376,971 6.558,972 4.182,973 6.038,974 0.789,975 7.299,976 3.419,977 4.007,978 4.913,980 7.526,981 3.825,982 7.376,983 0.566,984 8.981,985 1.621,986 5.948,987 7.237,988 1.159,989 10.632,990 5.71,991 8.752,992 0.321,993 10.718,994 1.146,995 6.431,996 8.04,998 12.425,999 6.145,1000 10.159,1001 -0.165,1002 12.491,1003 0.44,1004 7.871,1005 9.874,1006 0.963,1007 15.072,1008 7.543,1009 11.589,1010 -0.271,1011 14.291,1012 -0.409,1013 8.721,1014 11.06,1016 17.228,1017 8.342,1018 13.037,1019 -0.487,1020 16.11,1021 -0.638,1022 9.974,1023 12.704,1024 0.787,1025 19.722,1026 9.555,1027 3.257,1028 -0.644,1029 17.945,1030 -1.06,1031 10.995,1032 14.076,1034 22.034,1035 10.522,1036 2.903,1037 11.395,1038 19.794,1039 -1.467,1040 12.181,1041 15.646,1042 0.634,1043 24.477,1044 11.665,1045 2.482,1046 9.173,1047 21.654,1048 4.675,1049 13.28,1050 17.105,1052 26.855,1053 12.708,1054 2.24,1055 7.564,1056 23.524,1057 3.911,1058 14.445,1059 18.649,1060 0.504,1061 29.284,1062 13.825,1063 2.055,1064 6.492,1065 25.402,1066 3.325,1067 15.579,1068 20.148,1070 31.69,1071 14.902,1072 1.857,1073 6.061,1074 27.287,1075 2.857,1076 16.74,1077 21.684,1078 0.395,1079 34.117,1080 16.012,1081 1.61,1082 5.556,1083 29.178,1084 2.816,1085 17.891,1086 23.202,1088 36.536,1089 17.106,1090 5949,1091 10223,1092 16.819,1093 29.671,1094 38.671,1095 39.507,1096 41.185,1097 38.607,1098 38.662,1099 51.33,1100 3.44,1101 114.332,1102 35.855,1103 5.545,1104 5.359,1105 6.442,1106 5.328,1107 5.257,1108 7.675,1109 1.72,1110 18.505,1111 5.079,1112 13.848,1113 1.487,1114 1.519,1115 1.584,1116 1.485,1117 1.487,1118 1.974,1119 0.132,1120 4.397,1121 1.379,1122 4.085,1123 4.104,1124 4.338,1125 4.075,1126 5.302,1127 4.029,1128 3.925,1129 3.942,1130 3.882,1131 3.847,1132 4.981,1133 3.849,1134 3.513,1135 3.576,1136 3.524,1137 3.344,1138 4.913,1139 3.351,1140 3.331,1141 3.384,1142 3.212,1143 3.1,1144 4.614,1145 3.107,1146 3.257,1147 3.334,1148 3.135,1149 3.006,1150 4.599,1151 3.02,1152 3.134,1153 3.226,1154 3.083,1155 2.911,1156 4.174,1157 2.855,1158 3.056,1159 3.177,1160 2.884,1161 2.864,1162 4.099,1163 2.832,1164 2.968,1165 3.053,1166 2.816,1167 2.704,1168 3.825,1169 2.714,1170 0.181,1171 0.129,1172 0.264,1173 0.162,1174 0.125,1175 4.697,1176 0.18,1177 3.359,1178 0.033,1179 6.873,1180 0.438,1181 4.201,1182 0.118,1183 3.257,1184 4.675,1185 0.86,1186 11.395,1187 3.079,1188 1.917,1189 1.899,1190 2.025,1191 2.019,1192 1.274,1193 2.02,1194 1.824,1195 1.793,1196 1.893,1197 1.978,1198 1.041,1199 1.953,1200 1.609,1201 1.589,1202 1.71,1203 1.722,1204 0.907,1205 1.752,1206 1.282,1207 1.219,1208 1.593,1209 1.57,1210 0.64,1211 1.575,1212 1.223,1213 1.152,1214 1.57,1215 1.503,1216 0.585,1217 1.533,1218 1.126,1219 1.032,1220 1.523,1221 1.413,1222 0.554,1223 1.455,1224 0.961,1225 0.918,1226 1.265,1227 1.349,1228 0.335,1229 1.342,1230 0.944,1231 0.825,1232 1.134,1233 1.132,1234 0.114,1235 1.171,1236 3.97,1238 5.303,1239 2.398,1240 6.834,1241 4.844,1242 8.458,1243 7.034,1244 10.131,1246 5.384,1250 11.694,1252 1.687,1254 10.752,1262 27.917,1263 74.29,1264 160.599,1265 193.195,1266 207.95,1267 211.95,1268 217.95,1269 34.802,1270 7.093,1271 96.28,1272 124.52,1273 17,1274 12.48,1275 4.087,1276 3.17,1277 39.275,1278 85,1279 76,1280 0.233,1281 177.469,1282 294.49,1283 424.784,1284 10709,1286 17.267,1287 0.719,1288 0.614,1289 17.621,1290 14.737,1291 11.528,1292 0.443,1293 0.322,1294 7.489,1295 10.574,1296 7.123,1297 5.959,1298 11.937,1299 8.366,1300 10.339,1301 0.279,1302 0.177,1303 10.982,1304 6.559,1305 8.895,1306 0.178,1307 0.106,1308 9.705,1309 5.289,1310 7.64,1311 0.116,1312 0.06,1313 8.63,1314 3.988,1315 5.546,1316 0.071,1317 0.033,1318 6.382,1319 2.592,1320 0.362,1321 76.877,1322 0.244,1323 23.24,1324 0.646,1325 126,1326 374.246,1327 164.32,1328 380.77,1329 526.17,1330 358,1331 150,1332 376.158,1333 184.694,1334 400.205,1335 584.42,1336 373,1337 5.229}
{0 CHEMBL32266,1 1.664,2 10.292,3 1.359,4 1.848,5 92.547,6 7.771,7 0.654,8 3.863,9 3.993,10 3.452,11 3.303,12 5.078,13 3.327,14 4.332,15 4.506,16 3.782,17 3.645,18 5.524,19 3.654,20 4.454,21 4.621,22 3.831,23 3.773,24 5.596,25 3.76,26 4.568,27 4.781,28 3.758,29 3.769,30 5.7,31 3.706,32 4.607,33 4.856,34 3.598,35 3.698,36 5.629,37 3.614,38 4.445,39 4.661,40 3.374,41 3.591,42 5.436,43 3.494,44 4.455,45 4.755,46 3.325,47 3.49,48 5.344,49 3.382,50 4.221,51 4.464,52 3.35,53 3.35,54 5.259,55 3.295,56 0.104,57 0.66,58 8.34,59 3.08,60 12.541,61 4.136,62 0.373,63 0.954,64 15.571,65 5.266,66 31.024,67 6.927,68 0.286,69 1.106,70 16.64,71 5.623,72 22.366,73 7.784,74 0.42,75 1.134,76 20.107,77 6.85,78 40.341,79 9.899,80 0.574,81 1.051,82 23.369,83 6.844,84 45.501,85 10.08,86 0.38,87 0.92,88 18.642,89 5.897,90 34.408,91 8.32,92 0.376,93 0.853,94 21.417,95 5.98,96 36.419,97 9.463,98 0.355,99 0.71,100 15.926,101 4.801,102 28.48,103 7.09,104 21,105 36,106 0.291,107 0.66,108 0.771,109 0.812,110 0.812,111 0.812,112 3.228,113 0.835,114 -2.9,115 -2.91,116 -2.81,119 38.1,124 2,125 1,139 4,140 2,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 7,172 3,173 3,175 3,178 3,180 1,182 5,185 1,187 4,189 1,191 1,192 2,193 2,195 3,196 3,197 1,198 1,200 2,201 1,204 1,205 1,207 1,210 4,211 1,212 2,214 1,215 3,218 1,221 2,229 2,234 4,238 1,239 1,240 1,241 1,243 1,245 2,246 7,251 2,254 1,256 2,265 1,270 1,273 754,274 16.221,275 16.221,276 16.221,277 16.221,278 16.221,279 14.188,280 24.663,281 9.465,282 16.871,283 12.726,284 12.726,285 12.726,286 12.726,287 12.726,288 9.489,289 36.429,290 4.384,291 13.586,292 3.728,293 1.618,294 0.988,295 0.75,296 0.75,297 0.75,298 3.91,300 1,301 1,302 1,303 523,304 2.828,307 204.722,311 106.654,314 1.542,315 22.065,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 53,327 247,328 4.541,329 3.129,330 6.502,331 4.036,332 3.079,333 4.491,334 0.86,335 10.175,336 2.95,337 4.198,338 3.083,339 5.787,340 3.787,341 2.821,342 3.84,343 0.86,344 8.314,345 2.723,346 3.774,347 2.641,348 5.323,349 3.364,350 2.422,351 3.234,352 0.657,353 6.913,354 2.281,355 3.435,356 2.555,357 5.063,358 3.042,359 2.099,360 2.811,362 5.96,363 1.978,364 3.41,365 2.364,366 5.006,367 2.972,368 2.061,369 2.723,371 5.818,372 1.875,373 3.355,374 2.152,375 4.969,376 2.947,377 2.013,378 2.604,380 5.797,381 1.867,382 3.304,383 2.019,384 4.937,385 2.859,386 1.924,387 2.575,389 5.689,390 1.789,391 2.454,392 1.159,393 3.71,394 1.945,395 1.009,396 1.434,398 2.565,399 0.942,400 1.914,401 1.058,402 3.274,403 1.652,404 0.721,405 0.829,407 1.717,408 0.669,409 1.592,410 0.916,411 2.842,412 1.324,413 0.47,414 0.516,415 0.679,416 0.398,417 1.576,418 0.879,419 2.795,420 1.27,421 0.396,422 0.452,423 0.602,424 0.342,425 1.368,426 0.169,427 2.735,428 0.95,429 0.022,430 0.029,431 0.056,432 0.02,433 0.976,434 -0.277,435 2.579,436 0.489,437 -0.432,438 -0.561,439 -1.137,440 -0.395,441 0.792,442 -0.321,443 2.45,444 0.419,445 -0.541,446 -0.673,448 -1.475,449 -0.518,450 0.65,451 -0.339,452 2.144,453 0.24,454 -0.694,455 -0.878,457 -1.599,458 -0.637,459 11.067,460 0.461,461 0.588,462 0.024,463 35,464 1.458,465 18.5,466 0.771,467 16.5,468 0.688,469 15.384,470 0.641,471 26.133,472 0.622,473 25.177,474 1.049,475 7.198,476 0.3,477 4.386,478 0.183,479 0.163,481 0.361,485 1.069,486 1.389,487 0.794,488 1.098,489 1.223,490 0.907,491 1.183,492 0.855,493 0.782,494 0.781,495 0.72,496 0.732,497 1.151,498 1.343,499 1.028,500 1.169,501 0.999,502 1.089,503 0.62,504 1.157,505 0.992,506 1.28,507 0.699,508 1.221,509 1.001,510 0.808,511 1.045,512 0.917,513 0.955,514 0.987,515 1.327,516 1.159,517 1.357,518 1.248,519 1.258,520 1.316,521 0.731,522 0.685,523 0.785,524 0.741,525 0.688,526 0.752,527 0.939,528 0.902,529 0.768,530 0.825,531 0.727,532 0.786,533 6,534 0.136,535 2,536 1.75,537 1.791,538 0.535,539 0.345,540 0.311,541 0.148,542 0.257,543 6422,544 19272,545 2.04,546 42.9,548 12,550 1,551 5,555 1.666,556 1.895,557 3.339,558 2.702,559 1,560 1,562 1,564 69.909,565 1.664,566 3.774,567 4.404,568 4.642,569 4.642,570 4.642,571 2.757,572 4.002,573 4.56,574 3.493,575 964.047,576 7.852,577 11534.3,578 1,579 1,582 226.477,583 1.459,584 4.507,585 0.231,586 0.008,587 0.056,588 0.047,589 0.056,590 0.02,591 0.016,592 0.015,593 0.007,594 0.014,595 0.469,596 0.17,597 1,598 0.921,599 114.967,600 -0.169,601 -0.15,602 0.023,603 -0.04,604 -0.277,605 0.032,606 -0.036,607 0.239,608 0.14,609 0.235,610 0.174,611 0.212,612 -0.196,613 -0.204,614 -0.154,615 -0.146,616 -0.173,617 -0.144,618 0.196,619 -0.112,620 -0.073,621 -0.274,622 0.165,623 -0.238,624 0.012,625 0.125,626 -0.042,627 0.05,628 0.002,629 -0.004,630 -0.295,631 -0.185,632 -0.404,633 -0.24,634 -0.364,635 -0.336,636 0.033,637 0.169,638 0.251,639 0.224,640 0.111,641 0.286,642 0.095,643 -0.006,644 0.244,645 0.181,646 0.181,647 0.229,648 1.559,649 1.877,650 0.667,651 19.486,652 1.014,653 1.14,654 1.673,655 2.799,656 0.655,657 3.296,658 3.611,659 3.85,660 4.111,661 4.344,662 4.331,663 4.369,664 4.394,665 4.511,666 4.554,667 6.171,668 0.636,669 326.4,670 3.296,671 4.828,672 5.666,673 6.541,674 7.396,675 8.273,676 9.133,677 10.01,678 10.873,679 11.75,680 14.3,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,716 2,718 42,719 17,720 1,721 26,723 44,724 16,725 13,726 3,727 3,729 3,730 4,741 13,742 3,753 1,754 1,757 18,758 8,759 5,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 1,817 1,818 2,829 4.8,834 2,836 12.667,837 8.017,838 5.389,839 2.088,840 3.36,841 1.474,842 0.988,843 4.758,844 10.455,845 3.57,846 4.22,847 4.822,848 5.437,849 6.017,850 6.244,851 6.538,852 6.841,853 7.258,854 7.34,855 0.857,856 37,857 8.756,859 3.6,860 7.806,861 16.397,863 12.771,865 2.306,866 55.333,870 153.024,871 95.769,872 134.162,874 22,877 95.769,878 175.024,879 134.162,880 21.766,881 2.106,882 103.699,883 80.138,884 51.765,885 4.227,886 141.253,888 153.024,889 229.93,890 22,893 154.74,894 22,897 13.052,898 146.796,899 68.367,901 153.024,902 156.161,903 95.769,906 153.024,907 27.05,908 68.719,909 18.011,910 138.151,911 153.024,912 156.161,913 95.769,915 0.576,916 0.339,917 0.186,918 0.107,919 17,920 8,921 0.114,922 5,923 1,924 1.125,925 3.609,926 189.487,927 0.125,928 16,929 102.039,933 16.392,934 6.967,935 3.731,936 1.117,937 156.161,938 9.202,939 12.266,943 3.678,945 83.805,946 404.955,947 34.5,956 42.567,957 47.9,958 0.309,959 0.7,960 0.817,961 0.861,962 0.861,963 0.861,964 4.79,965 1.009,966 5.652,967 5.689,968 4.29,969 4.905,970 1.573,971 6.438,972 4.173,973 6.015,974 0.721,975 7.195,976 2.565,977 3.892,978 4.808,980 7.248,981 3.74,982 7.332,983 0.47,984 8.828,985 1.717,986 5.866,987 7.183,988 1.27,989 10.311,990 5.66,991 8.683,992 0.396,993 10.511,994 0.679,995 6.217,996 7.852,998 11.897,999 5.975,1000 10.06,1001 0.022,1002 12.226,1003 0.602,1004 7.684,1005 9.735,1006 1.022,1007 14.494,1008 7.402,1009 11.456,1010 -0.432,1011 13.963,1012 0.056,1013 8.404,1014 10.797,1016 16.459,1017 8.087,1018 12.868,1019 -0.541,1020 15.719,1021 -1.137,1022 9.658,1023 12.464,1024 0.818,1025 18.88,1026 9.306,1027 3.079,1028 -0.694,1029 17.49,1030 -1.475,1031 10.572,1032 13.738,1034 21.032,1035 10.182,1036 2.821,1037 10.175,1038 19.275,1039 -1.599,1040 11.734,1041 15.305,1042 0.65,1043 23.384,1044 11.31,1045 2.422,1046 8.314,1047 21.071,1048 4.491,1049 12.746,1050 16.689,1052 25.623,1053 12.281,1054 2.099,1055 6.913,1056 22.877,1057 3.84,1058 13.871,1059 18.212,1060 0.511,1061 27.949,1062 13.37,1063 2.061,1064 5.96,1065 24.692,1066 3.234,1067 14.932,1068 19.652,1070 30.229,1071 14.389,1072 2.013,1073 5.818,1074 26.515,1075 2.811,1076 16.044,1077 21.156,1078 0.399,1079 32.547,1080 15.463,1081 1.924,1082 5.797,1083 28.345,1084 2.723,1085 17.129,1086 22.624,1088 34.846,1089 16.506,1090 6298,1091 11033,1092 17.107,1093 27.512,1094 37.996,1095 39.074,1096 39.492,1097 37.956,1098 38.076,1099 51.075,1100 4.755,1101 108.568,1102 35.67,1103 5.371,1104 5.129,1105 6.055,1106 5.111,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.95,1112 12.698,1113 1.461,1114 1.503,1115 1.519,1116 1.46,1117 1.464,1118 1.964,1119 0.183,1120 4.176,1121 1.372,1122 4.054,1123 4.097,1124 4.029,1125 3.926,1126 5.325,1127 3.945,1128 3.922,1129 3.942,1130 3.875,1131 3.833,1132 4.983,1133 3.84,1134 3.516,1135 3.588,1136 3.451,1137 3.297,1138 4.924,1139 3.328,1140 3.303,1141 3.355,1142 3.144,1143 3.047,1144 4.821,1145 3.059,1146 3.271,1147 3.342,1148 3.137,1149 3.006,1150 4.58,1151 3.026,1152 3.109,1153 3.225,1154 3.003,1155 2.821,1156 4.318,1157 2.85,1158 3.065,1159 3.166,1160 2.851,1161 2.805,1162 4.157,1163 2.799,1164 2.77,1165 2.859,1166 2.637,1167 2.562,1168 3.979,1169 2.57,1170 0.175,1171 0.12,1172 0.25,1173 0.155,1174 0.118,1175 4.541,1176 0.173,1177 3.129,1178 0.033,1179 6.502,1180 0.391,1181 4.036,1182 0.113,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.95,1188 1.969,1189 1.935,1190 2.034,1191 2.121,1192 1.17,1193 2.095,1194 1.887,1195 1.868,1196 1.97,1197 2.001,1198 1.061,1199 1.994,1200 1.425,1201 1.361,1202 1.608,1203 1.686,1204 0.686,1205 1.663,1206 1.227,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.217,1213 1.15,1214 1.512,1215 1.497,1216 0.537,1217 1.508,1218 1.054,1219 0.956,1220 1.366,1221 1.38,1222 0.351,1223 1.369,1224 0.996,1225 0.898,1226 1.266,1227 1.327,1228 0.09,1229 1.34,1230 0.727,1231 0.661,1232 1.004,1233 0.993,1235 0.996,1236 3.97,1238 5.283,1240 6.795,1242 8.401,1244 10.059,1246 3.238,1250 11.448,1252 0.566,1253 3.282,1254 10.538,1262 26.719,1263 69.909,1264 158.503,1265 184.968,1266 194.968,1267 194.968,1268 194.968,1269 31.919,1270 7.095,1271 121.2,1272 121.2,1273 18,1274 12.291,1275 4.17,1276 3.248,1277 39.431,1278 91,1279 76,1280 0.216,1281 167.407,1282 278.04,1283 400.233,1284 11138,1286 17.104,1287 0.713,1288 0.559,1289 17.104,1290 13.407,1291 11.584,1292 0.446,1293 0.278,1294 7.065,1295 10.936,1296 6.854,1297 5.747,1298 11.584,1299 7.234,1300 10.356,1301 0.288,1302 0.143,1303 10.356,1304 5.137,1305 8.505,1306 0.185,1307 0.076,1308 8.505,1309 3.506,1310 7.11,1311 0.118,1312 0.039,1313 7.11,1314 2.321,1315 5.894,1316 0.078,1317 0.021,1318 5.894,1319 1.592,1320 0.342,1321 74.037,1322 0.242,1323 23.527,1324 0.583,1325 124,1326 399.364,1327 139.637,1328 383.752,1329 526.9,1330 360,1331 144,1332 391.57,1333 158.835,1334 399.582,1335 576.85,1336 371,1337 5.469}
{0 CHEMBL322861,1 1.712,2 10.346,3 3.277,4 10.74,5 106.214,6 7.802,7 0.571,8 3.978,9 4.091,10 3.617,11 3.484,12 5.133,13 3.458,14 4.485,15 4.655,16 4.003,17 3.855,18 5.566,19 3.81,20 4.565,21 4.7,22 4.11,23 4.01,24 5.671,25 3.948,26 4.753,27 4.907,28 4.127,29 4.092,30 5.839,31 3.991,32 4.907,33 5.125,34 3.814,35 4.04,36 5.848,37 3.907,38 4.795,39 5.031,40 3.642,41 3.949,42 5.649,43 3.781,44 4.737,45 5.024,46 3.649,47 3.818,48 5.554,49 3.652,50 4.602,51 4.898,52 3.69,53 3.667,54 5.45,55 3.545,56 0.078,57 0.712,58 10.391,59 4.498,60 11.639,61 5.463,62 0.4,63 1.076,64 21.394,65 7.721,66 31.362,67 9.27,68 0.386,69 1.243,70 22.339,71 8.649,72 19.751,73 10.324,74 0.336,75 1.448,76 30.246,77 10.781,78 28.251,79 13.331,80 0.695,81 1.448,82 36.249,83 11.054,84 55.973,85 13.726,86 0.472,87 1.288,88 31.089,89 10.782,90 40.14,91 14.014,92 0.396,93 1.189,94 31.005,95 9.825,96 41.167,97 13.814,98 0.316,99 1.019,100 27.723,101 8.593,102 30.862,103 11.975,104 46,105 40,106 0.292,107 0.604,108 0.723,109 0.761,110 0.771,111 0.8,112 3.304,113 0.953,114 -3.4,115 -3.38,116 -3.23,119 37.5,120 1,121 2,124 3,139 2,140 3,141 3,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 6,169 1,170 5,172 3,173 3,175 1,178 9,180 1,181 2,182 6,187 1,189 7,191 1,192 1,193 9,195 1,196 1,197 1,198 4,200 2,201 4,204 4,205 1,207 5,212 2,215 6,218 2,221 3,226 3,229 4,231 3,234 7,239 2,243 2,246 8,251 3,256 3,259 2,260 2,265 2,270 2,273 904,274 17.489,275 17.489,276 17.489,277 17.489,278 17.489,279 15.485,280 23.042,281 9.951,282 18.346,283 13.593,284 13.593,285 13.593,286 13.593,287 13.593,288 10.325,289 26.912,290 4.418,291 14.736,292 3.873,293 2.047,294 1.35,295 1.126,296 1.068,297 0.896,298 3.98,300 1,301 1,302 1,303 565,304 3.162,306 57.273,307 162.356,310 111.492,314 1.423,315 23.67,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 57,327 269,328 4.697,329 3.382,330 6.873,331 4.201,332 3.257,333 4.675,334 0.86,335 11.395,336 3.079,337 4.419,338 3.35,339 6.523,340 4.008,341 3.06,342 4.104,343 0.86,344 10.257,345 2.896,346 3.852,347 2.712,348 5.722,349 3.434,350 2.501,351 3.328,352 0.86,353 7.6,354 2.334,355 3.565,356 2.555,357 5.288,358 3.223,359 2.254,360 2.883,362 6.72,363 2.167,364 3.436,365 2.522,366 5.19,367 2.972,368 2.061,369 2.811,371 6.118,372 1.867,373 3.355,374 2.181,375 5.141,376 2.948,377 2.04,378 2.604,380 6.052,381 1.847,382 3.231,383 1.972,384 4.96,385 2.734,386 1.829,387 2.504,389 5.538,390 1.633,391 2.569,392 1.918,393 4.26,394 2.232,395 1.3,396 1.587,398 3.482,399 1.199,400 2.224,401 1.583,402 3.807,403 1.98,404 1.148,405 1.208,407 2.485,408 0.948,409 1.799,410 1.047,411 3.241,412 1.523,413 0.61,414 0.705,415 1.405,416 0.546,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.397,426 0.658,427 2.73,428 1.146,429 0.301,430 0.324,431 0.391,432 0.252,433 1.146,434 0.203,435 2.647,436 0.778,437 -0.164,438 -0.197,439 -0.408,440 -0.154,441 1.025,442 0.049,443 2.49,444 0.629,445 -0.267,446 -0.336,448 -0.618,449 -0.237,450 0.809,451 -0.186,452 2.431,453 0.437,454 -0.472,455 -0.569,457 -1.05,458 -0.421,459 12.433,460 0.478,461 0.695,462 0.027,463 33.5,464 1.288,465 16.5,466 0.635,467 17,468 0.654,469 23.313,470 0.897,471 28.967,472 0.603,473 24.012,474 0.924,475 6.639,476 0.255,477 5.838,478 0.225,479 0.225,481 0.402,485 0.995,486 1.237,487 0.779,488 1.017,489 1.16,490 0.941,491 1.199,492 0.692,493 0.732,494 0.676,495 0.772,496 0.63,497 0.853,498 1.183,499 1.035,500 1.112,501 0.822,502 1.008,503 0.737,504 1.518,505 1.286,506 1.621,507 0.644,508 1.385,509 1.584,510 0.912,511 1.359,512 1.026,513 1.463,514 1.132,515 1.074,516 0.993,517 1.111,518 1.054,519 0.996,520 1.177,521 0.585,522 0.859,523 0.704,524 0.873,525 0.829,526 0.901,527 0.591,528 0.777,529 0.476,530 0.683,531 0.532,532 0.589,533 6,534 0.201,535 3.111,536 3.042,537 2.014,538 0.858,539 0.411,540 0.34,541 0.353,542 0.275,543 7455,544 22218,545 1.992,546 45.8,547 5,548 11,551 4,552 2,555 1.69,556 1.814,557 3.323,558 1.773,559 1,560 1,564 82.157,565 1.712,566 3.538,567 4.235,568 4.459,569 4.517,570 4.689,571 2.672,572 3.873,573 4.677,574 3.481,575 1131.47,576 8.098,577 14187.9,579 1,581 1,582 268.078,583 1.549,584 4.601,585 0.214,586 0.01,587 0.078,588 0.069,589 0.049,590 0.029,591 0.016,592 0.014,593 0.013,594 0.011,595 0.504,596 0.17,597 1,598 1.028,599 127.065,600 -0.105,601 -0.039,602 0.056,603 0.013,604 -0.192,605 0.033,606 -0.032,607 0.358,608 0.25,609 0.361,610 0.148,611 0.348,612 0.102,613 -0.023,614 -0.012,615 0.015,616 0.01,617 -0.012,618 0.117,619 -0.412,620 -0.166,621 -0.431,622 0.174,623 -0.356,624 -0.366,625 0.063,626 -0.34,627 -0.044,628 -0.395,629 -0.181,630 -0.169,631 -0.075,632 -0.184,633 -0.08,634 -0.189,635 -0.172,636 0.081,637 0.019,638 0.208,639 0.054,640 0.003,641 0.122,642 0.167,643 0.068,644 0.49,645 0.255,646 0.274,647 0.438,648 1.465,649 2.015,650 0.577,651 21,652 1.009,653 1.131,654 2.168,655 4.699,656 0.664,657 3.367,658 3.714,659 4.025,660 4.317,661 4.466,662 4.522,663 4.533,664 4.605,665 4.654,666 4.71,667 6.213,668 0.628,669 374.51,670 3.367,671 4.92,672 5.79,673 6.691,674 7.576,675 8.481,676 9.371,677 10.276,678 11.168,679 12.074,680 8.3,684 2,690 2,694 2,695 2,696 2,699 1,700 8,702 16,711 2,716 3,718 48,719 16,720 1,721 28,723 50,724 18,725 12,726 4,727 2,729 3,730 4,734 1,739 2,741 12,742 6,753 1,754 1,757 22,758 7,759 4,760 8,761 1,764 4,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,804 1,806 4,810 26,811 2,816 2,818 3,825 1,829 6.3,834 3,836 14.333,837 9.9,838 5.917,839 2.533,840 3.129,841 1.431,842 0.971,843 5.724,844 10.382,845 3.611,846 4.287,847 4.939,848 5.57,849 6.056,850 6.351,851 6.606,852 6.924,853 7.063,854 7.289,855 0.857,856 44,857 9.535,859 3.916,860 7.731,861 18.118,863 14.354,865 2.231,866 58,869 1,870 211.88,871 127.35,872 99.365,874 33,876 31.278,877 96.073,878 244.879,879 99.365,880 41.474,881 5.069,882 84.747,883 33.888,884 57.674,885 5.585,886 243.158,888 211.88,889 195.438,890 33,891 31.278,893 211.88,894 33,897 16.11,898 145.757,899 33.571,900 31.278,901 211.88,902 132.365,903 127.35,906 211.88,907 66.924,908 60.427,910 132.365,911 211.88,912 132.365,913 127.35,915 0.58,916 0.366,917 0.211,918 0.107,919 19,920 10,921 0.12,922 6,923 1,924 1.133,925 3.648,926 217.833,927 0.133,928 15,929 114.211,930 1,933 18.983,934 7.84,935 3.695,936 1.719,937 132.365,938 3.937,939 8.362,942 1.601,943 5.934,945 65.794,946 471.595,947 36,956 48.418,957 54.278,958 0.306,959 0.633,960 0.758,961 0.798,962 0.809,963 0.84,964 4.86,965 1.3,966 5.802,967 5.538,968 4.394,969 4.973,970 1.693,971 6.666,972 4.248,973 6.105,974 1.148,975 7.399,976 3.482,977 4.111,978 5.007,980 7.67,981 3.924,982 7.449,983 0.61,984 9.093,985 2.485,986 6.043,987 7.303,988 1.454,989 10.786,990 5.789,991 8.833,992 0.396,993 10.842,994 1.405,995 6.553,996 8.135,998 12.602,999 6.25,1000 10.247,1001 0.301,1002 12.626,1003 0.603,1004 7.985,1005 9.95,1006 1.232,1007 15.256,1008 7.633,1009 11.683,1010 -0.164,1011 14.436,1012 0.391,1013 8.858,1014 11.153,1016 17.42,1017 8.448,1018 13.137,1019 -0.267,1020 16.264,1021 -0.408,1022 10.109,1023 12.787,1024 1.028,1025 19.917,1026 9.654,1027 3.257,1028 -0.472,1029 18.108,1030 -0.618,1031 11.145,1032 14.165,1034 22.228,1035 10.63,1036 3.06,1037 11.395,1038 19.965,1039 -1.05,1040 12.332,1041 15.729,1042 0.845,1043 24.669,1044 11.77,1045 2.501,1046 10.257,1047 21.831,1048 4.675,1049 13.439,1050 17.188,1052 27.04,1053 12.818,1054 2.254,1055 7.6,1056 23.706,1057 4.104,1058 14.606,1059 18.726,1060 0.684,1061 29.462,1062 13.935,1063 2.061,1064 6.72,1065 25.588,1066 3.328,1067 15.744,1068 20.223,1070 31.859,1071 15.015,1072 2.04,1073 6.118,1074 27.476,1075 2.883,1076 16.906,1077 21.754,1078 0.546,1079 34.277,1080 16.124,1081 1.829,1082 6.052,1083 29.369,1084 2.811,1085 18.058,1086 23.268,1088 36.685,1089 17.219,1090 7408,1091 12912,1092 17.918,1093 31.887,1094 41.385,1095 42.737,1096 44.869,1097 41.395,1098 41.516,1099 54.369,1100 5.16,1101 124.089,1102 38.22,1103 5.539,1104 5.382,1105 6.416,1106 5.328,1107 5.257,1108 7.675,1109 1.72,1110 18.504,1111 5.079,1112 16.097,1113 1.478,1114 1.526,1115 1.602,1116 1.478,1117 1.483,1118 1.942,1119 0.184,1120 4.432,1121 1.365,1122 4.086,1123 4.105,1124 4.338,1125 4.075,1126 5.303,1127 4.03,1128 3.935,1129 3.946,1130 3.904,1131 3.848,1132 4.982,1133 3.855,1134 3.526,1135 3.585,1136 3.528,1137 3.35,1138 4.971,1139 3.361,1140 3.328,1141 3.395,1142 3.241,1143 3.118,1144 4.613,1145 3.129,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.213,1153 3.29,1154 3.125,1155 2.941,1156 4.464,1157 2.915,1158 3.111,1159 3.208,1160 2.985,1161 2.898,1162 4.231,1163 2.874,1164 3.035,1165 3.157,1166 2.85,1167 2.822,1168 4.086,1169 2.776,1170 0.168,1171 0.121,1172 0.245,1173 0.15,1174 0.116,1175 4.697,1176 0.167,1177 3.382,1178 0.031,1179 6.873,1180 0.407,1181 4.201,1182 0.11,1183 3.257,1184 4.675,1185 0.86,1186 11.395,1187 3.079,1188 1.914,1189 1.899,1190 2.016,1191 2.022,1192 1.274,1193 2.018,1194 1.823,1195 1.793,1196 1.89,1197 1.979,1198 1.041,1199 1.953,1200 1.609,1201 1.592,1202 1.708,1203 1.735,1204 0.906,1205 1.758,1206 1.299,1207 1.241,1208 1.59,1209 1.558,1210 0.645,1211 1.568,1212 1.227,1213 1.163,1214 1.585,1215 1.546,1216 0.584,1217 1.565,1218 1.17,1219 1.084,1220 1.567,1221 1.502,1222 0.571,1223 1.524,1224 1.11,1225 1.022,1226 1.48,1227 1.368,1228 0.546,1229 1.41,1230 0.946,1231 0.869,1232 1.265,1233 1.345,1234 0.295,1235 1.342,1236 4.043,1238 5.38,1239 2.398,1240 6.919,1241 4.844,1242 8.555,1243 7.034,1244 10.243,1246 6.864,1250 11.72,1252 1.651,1254 16.213,1262 30.158,1263 82.157,1264 169.814,1265 203.284,1266 214.039,1267 216.794,1268 225.059,1269 41.596,1270 7.253,1271 105.51,1272 133.75,1273 17,1274 12.595,1275 4.087,1276 3.17,1277 44.425,1278 100,1279 80,1280 0.225,1281 191.057,1282 320.58,1283 457.94,1284 12923,1286 18.845,1287 0.725,1288 0.618,1289 19.198,1290 16.068,1291 12.477,1292 0.446,1293 0.318,1294 7.976,1295 11.379,1296 7.565,1297 6.35,1298 12.885,1299 8.895,1300 11.07,1301 0.277,1302 0.173,1303 11.712,1304 6.915,1305 9.586,1306 0.174,1307 0.101,1308 10.396,1309 5.545,1310 8.504,1311 0.115,1312 0.057,1313 9.495,1314 4.201,1315 6.242,1316 0.073,1317 0.032,1318 7.086,1319 2.787,1320 0.352,1321 83.685,1322 0.236,1323 24.936,1324 0.616,1325 136,1326 429.982,1327 177.198,1328 427.204,1329 587.28,1330 402,1331 163,1332 417.703,1333 201.569,1334 442.192,1335 647.42,1336 410,1337 4.602}
{0 CHEMBL323155,1 1.635,2 5.533,3 1.923,4 3.696,5 64.928,6 8.16,7 0.588,8 3.435,9 3.569,10 3.153,11 3.047,12 4.514,13 2.987,14 3.961,15 4.133,16 3.605,17 3.493,18 5.016,19 3.392,20 4.174,21 4.392,22 3.588,23 3.58,24 5.087,25 3.442,26 4.113,27 4.314,28 3.533,29 3.473,30 5.131,31 3.315,32 3.975,33 4.219,34 2.858,35 3.125,36 4.95,37 2.956,38 3.714,39 4.015,40 2.31,41 2.698,42 4.597,43 2.539,44 3.352,45 3.684,46 1.613,47 2.21,48 4.2,49 1.988,50 2.985,51 3.387,52 0.595,53 1.651,54 3.555,55 1.304,56 0.039,57 0.467,58 5.824,59 2.411,60 7.068,61 3.032,62 0.136,63 0.76,64 11.683,65 4.846,66 15.806,67 6.172,68 0.109,69 0.868,70 17.322,71 6.136,72 11.952,73 7.571,74 0.134,75 0.836,76 18.754,77 5.962,78 15.918,79 7.357,80 0.173,81 0.665,82 17.199,83 4.462,84 20.115,85 5.302,86 0.141,87 0.446,88 9.817,89 2.651,90 17.54,91 3.992,92 0.103,93 0.282,94 7.376,95 1.952,96 14.873,97 2.941,98 0.079,99 0.155,100 6.177,101 1.641,102 10.899,103 2.451,104 5,105 25,106 0.321,107 0.643,108 0.745,109 0.818,110 0.847,111 0.847,112 2.8,113 1.042,114 -3.33,115 -3.32,116 -3.18,119 37,121 4,140 2,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 5,169 1,170 3,172 3,173 3,175 1,178 8,180 1,182 2,187 1,189 6,191 1,193 4,195 1,196 1,197 1,198 4,200 2,201 2,204 4,205 1,207 4,212 3,218 3,221 1,226 3,231 3,239 2,243 2,273 168,274 10.154,275 10.154,276 10.154,277 10.154,278 10.154,279 8.927,280 12.033,281 5.899,282 10.502,283 8.416,284 8.416,285 8.416,286 8.416,287 8.416,288 6.466,289 11.497,290 2.815,291 9.028,292 3.12,293 1.481,294 0.963,295 0.593,296 0.444,297 0.444,298 3.47,301 1,302 1,303 182,304 1.732,306 17.254,307 50.193,310 71.047,314 0.898,315 11.536,318 1,319 0.83,320 1,321 0.8,322 0.5,323 1,324 1,325 0.88,326 32,327 83,328 4.711,329 3.39,330 6.923,331 4.227,332 3.279,333 4.683,335 11.661,336 3.111,337 3.873,338 2.696,339 5.779,340 3.46,341 2.526,342 3.347,344 7.788,345 2.355,346 3.446,347 2.203,348 5.161,349 2.972,350 2.058,351 2.822,353 6.12,354 1.881,355 3.275,356 1.992,357 4.967,358 2.808,359 1.908,360 2.545,362 5.601,363 1.69,364 2.666,365 1.764,366 4.402,367 2.395,368 1.453,369 1.702,371 3.998,372 1.354,373 2.438,374 1.353,375 3.612,376 2.312,377 1.331,378 1.434,380 2.933,381 1.299,382 1.684,383 0.554,384 3.256,385 1.38,386 0.466,387 0.552,389 1.199,390 0.417,391 1.146,392 -0.072,393 2.732,394 0.681,395 -0.212,396 -0.273,398 -0.572,399 -0.188,400 0.805,401 -0.311,402 2.462,403 0.41,404 -0.497,405 -0.603,407 -1.227,408 -0.447,409 0.311,410 -0.652,411 2.174,412 0.12,413 -0.848,414 -0.956,415 -2.079,416 -0.759,417 0.27,418 -0.672,419 2,420 0.063,421 -0.876,422 -0.958,423 -2.228,424 -0.858,425 0.036,426 -1.216,427 1.573,428 -0.368,429 -1.293,430 -1.712,431 -3.71,432 -1.196,433 -0.228,434 -1.375,435 1.454,436 -0.591,437 -1.511,438 -1.953,439 -4.174,440 -1.383,441 -0.436,442 -1.771,443 1.166,444 -0.886,445 -1.866,446 -2.161,448 -5.377,449 -1.548,450 -0.5,451 -1.812,452 1.02,453 -1,454 -1.917,455 -2.617,457 -5.904,458 -1.853,459 7.433,460 0.496,461 0.418,462 0.028,463 19,464 1.267,465 9,466 0.6,467 10,468 0.667,469 11.677,470 0.778,471 15.967,472 0.591,473 9.353,474 0.624,475 3.115,476 0.208,477 4.139,478 0.276,479 0.108,481 0.404,485 1.153,486 1.03,487 0.754,488 0.735,489 1.266,490 0.768,491 0.289,492 0.835,493 0.687,494 0.871,495 0.259,496 0.86,497 0.913,498 1.014,499 0.969,500 0.956,501 0.709,502 0.894,503 0.543,504 1.421,505 1.276,506 1.545,507 0.568,508 1.267,509 1.771,510 1.285,511 1.755,512 1.485,513 1.66,514 1.345,515 1.574,516 0.857,517 0.826,518 0.71,519 1.546,520 1.044,521 1.453,522 0.783,523 0.812,524 0.701,525 1.818,526 1.039,527 0.891,528 0.335,529 0.513,530 0.379,531 1.211,532 0.61,533 3,535 1.556,536 1.792,537 0.862,538 0.337,539 0.146,540 0.041,543 1517,544 3824,545 2.145,546 44.4,547 6,551 4,552 2,555 1.538,556 2,557 2.529,558 2.285,562 1,564 44.143,565 1.635,566 3.273,567 3.792,568 4.162,569 4.31,570 4.31,571 1.966,572 3.507,573 3.883,574 2.546,575 267.371,576 6.537,577 2117.93,579 1,581 1,582 128.382,583 1.429,584 3.837,585 0.176,587 0.062,588 0.075,589 0.043,590 0.031,591 0.024,592 0.02,595 0.432,596 0.5,597 1,598 0.648,599 56.242,600 -0.237,601 0.135,602 0.041,603 0.191,604 -0.225,605 0.143,606 0.479,607 0.229,608 0.21,609 0.131,610 0.407,611 0.119,612 -0.068,613 -0.015,614 0.061,615 0.096,616 0.006,617 0.101,618 0.294,619 -0.399,620 -0.062,621 -0.366,622 0.269,623 -0.253,624 -0.514,625 -0.247,626 -0.584,627 -0.438,628 -0.434,629 -0.431,630 -0.384,632 -0.165,633 -0.045,634 -0.364,635 -0.17,636 -0.305,637 -0.002,638 -0.102,639 -0.016,640 -0.375,641 -0.134,642 0.038,643 0.263,644 0.309,645 0.388,646 -0.065,647 0.411,648 1.39,649 1.901,650 0.867,651 6.613,652 1.001,653 1.132,654 2.104,655 4.429,656 0.693,657 2.89,658 3.258,659 3.584,660 3.951,661 4.159,662 4.234,663 4.277,664 4.331,665 4.06,666 3.829,667 3.439,668 0.644,669 220.33,670 2.89,671 4.443,672 5.323,673 6.24,674 7.141,675 8.066,676 8.974,677 9.899,678 10.811,679 11.736,680 14.8,684 2,690 2,694 2,696 2,699 1,700 4,702 10,711 2,718 27,719 10,721 17,723 29,724 10,725 6,729 3,730 6,736 4,739 4,741 6,742 4,754 1,757 12,758 4,759 4,760 5,761 1,764 4,769 0.333,776 1,780 1,781 2,784 2,802 1,804 1,810 15,811 2,816 4,825 1,836 7.5,837 4.733,838 3.194,839 1.7,840 2.135,841 1.335,842 1.066,843 2.057,844 8.515,845 3.135,846 3.834,847 4.515,848 5.219,849 5.735,850 6.107,851 6.418,852 6.74,853 6.587,854 6.354,855 0.75,856 24,857 5.529,858 -0.001,859 2.41,860 7.622,861 10.807,863 9.373,865 2.122,866 31.833,867 0.006,870 94.169,871 53.077,872 99.365,876 31.278,877 21.799,878 94.169,879 99.365,881 10.138,882 65.794,883 33.888,884 5.759,885 5.585,886 125.447,888 94.169,889 121.164,891 31.278,893 94.169,897 12.354,898 75.239,899 33.571,900 31.278,901 94.169,902 99.365,903 53.077,906 94.169,907 53.077,910 99.365,911 94.169,912 99.365,913 53.077,915 0.591,916 0.353,917 0.215,918 0.117,919 15,920 6,923 2,924 1.308,925 2.707,926 108.033,927 0.308,928 13,929 58.603,930 1,933 9.339,934 3.304,935 1.389,936 1.996,937 99.365,939 8.28,942 1.717,943 3.595,945 65.794,946 246.611,947 22,956 27.018,957 30.574,958 0.344,959 0.688,960 0.797,961 0.875,962 0.907,963 0.907,964 4.388,965 -0.212,966 5.333,967 1.199,968 3.932,969 4.516,971 6.209,972 3.797,973 5.63,974 -0.497,975 6.925,976 -0.572,977 3.611,978 4.559,980 7.213,981 3.408,982 6.977,983 -0.848,984 8.619,985 -1.227,986 5.572,987 6.874,989 10.384,990 5.323,991 8.364,992 -0.876,993 10.374,994 -2.079,995 6.066,996 7.755,998 12.264,999 5.757,1000 9.788,1001 -1.293,1002 12.169,1003 -2.228,1004 7.54,1005 9.584,1007 14.96,1008 7.193,1009 11.237,1010 -1.511,1011 13.994,1012 -3.71,1013 8.423,1014 10.846,1016 17.199,1017 8.021,1018 12.708,1019 -1.866,1020 15.841,1021 -4.174,1022 9.707,1023 12.494,1025 19.736,1026 9.266,1027 3.279,1028 -1.917,1029 17.706,1030 -5.377,1031 10.766,1032 13.922,1034 22.113,1035 10.27,1036 2.526,1037 11.661,1038 19.584,1039 -5.904,1040 11.982,1041 15.503,1043 24.596,1044 11.443,1045 2.058,1046 7.788,1047 21.474,1048 4.683,1049 13.115,1050 16.999,1052 27.024,1053 12.522,1054 1.908,1055 6.12,1056 23.373,1057 3.347,1058 14.307,1059 18.556,1061 29.489,1062 13.668,1063 1.453,1064 5.601,1065 25.278,1066 2.822,1067 15.471,1068 20.08,1070 31.934,1071 14.778,1072 1.331,1073 3.998,1074 27.19,1075 2.545,1076 16.658,1077 21.628,1079 34.393,1080 15.916,1081 0.466,1082 2.933,1083 29.106,1084 1.702,1085 17.834,1086 23.164,1088 36.846,1089 17.04,1090 1509,1091 2496,1092 11.444,1093 18.716,1094 26.067,1095 26.123,1096 27.024,1097 26.095,1098 26.041,1099 34.169,1101 78.601,1102 24.217,1103 5.655,1104 5.39,1105 6.603,1106 5.346,1107 5.279,1108 7.683,1110 18.774,1111 5.111,1112 5.921,1113 1.533,1114 1.537,1115 1.59,1116 1.535,1117 1.532,1118 2.01,1120 4.624,1121 1.425,1122 4.101,1123 4.121,1124 4.345,1125 4.092,1126 5.301,1127 4.046,1128 3.659,1129 3.728,1130 3.564,1131 3.499,1132 4.981,1133 3.501,1134 3.213,1135 3.283,1136 3.39,1137 3.105,1138 4.615,1139 3.052,1140 3.116,1141 3.204,1142 3.025,1143 2.931,1144 4.181,1145 2.921,1146 2.999,1147 3.113,1148 2.784,1149 2.712,1150 3.798,1151 2.721,1152 2.601,1153 2.719,1154 2.441,1155 2.375,1156 3.579,1157 2.359,1158 2.293,1159 2.414,1160 2.261,1161 1.998,1162 3.442,1163 1.934,1164 2.127,1165 2.252,1166 1.914,1167 1.782,1168 2.79,1169 1.786,1170 0.277,1171 0.199,1172 0.407,1173 0.249,1174 0.193,1175 4.711,1176 0.275,1177 3.39,1179 6.923,1180 0.686,1181 4.227,1182 0.183,1183 3.279,1184 4.683,1186 11.661,1187 3.111,1188 1.89,1189 1.854,1190 2.043,1191 2.016,1192 1.4,1193 2.018,1194 1.731,1195 1.7,1196 1.774,1197 1.884,1198 0.938,1199 1.887,1200 1.142,1201 1.11,1202 1.433,1203 1.4,1204 0.694,1205 1.395,1206 1.11,1207 1.027,1208 1.305,1209 1.318,1210 0.539,1211 1.362,1212 0.896,1213 0.807,1214 1.179,1215 1.148,1217 1.187,1218 0.805,1219 0.698,1220 1.011,1221 1.093,1223 1.127,1224 0.207,1225 0.064,1226 0.669,1227 0.537,1229 0.583,1230 0.123,1232 0.53,1233 0.467,1235 0.533,1236 3.555,1238 4.905,1239 2.398,1240 6.463,1241 4.844,1242 8.122,1243 7.066,1244 9.832,1250 11.488,1252 4.758,1262 17.38,1263 44.143,1264 88.382,1265 102.382,1266 112.382,1267 116.382,1268 116.382,1269 15.461,1270 6.38,1271 77.82,1272 106.06,1273 17,1274 12.243,1275 3.459,1276 2.585,1277 19.777,1278 32,1279 27,1280 0.344,1281 111.112,1282 174.63,1283 262.874,1284 3935,1286 10.414,1287 0.694,1288 0.607,1289 10.767,1290 9.102,1291 7.254,1292 0.427,1293 0.347,1294 5.11,1295 6.611,1296 4.944,1297 4.063,1298 7.662,1299 5.904,1300 6.835,1301 0.273,1302 0.198,1303 7.478,1304 4.942,1305 5.748,1306 0.164,1307 0.116,1308 6.524,1309 4.046,1310 5.476,1311 0.107,1312 0.068,1313 6.499,1314 3.479,1315 4.239,1316 0.067,1317 0.041,1318 5.131,1319 2.558,1320 0.49,1321 49,1322 0.296,1323 14.539,1324 1.101,1325 84,1326 208.775,1327 116.562,1328 230.516,1329 326.14,1330 216,1331 102,1332 238.067,1333 131.046,1334 257.642,1335 384.4,1336 244,1337 5.409}
{0 CHEMBL323359,1 1.69,2 12.333,3 2.375,4 5.64,5 117.449,6 7.99,7 0.563,8 4.04,9 4.175,10 3.637,11 3.534,12 5.323,13 3.54,14 4.497,15 4.658,16 3.994,17 3.914,18 5.875,19 3.896,20 4.738,21 4.924,22 4.092,23 4.063,24 5.948,25 4.037,26 4.85,27 5.039,28 4.107,29 4.088,30 6.141,31 4.049,32 4.935,33 5.165,34 3.989,35 4.074,36 6.122,37 4.013,38 4.883,39 5.13,40 3.914,41 3.979,42 6.02,43 3.907,44 4.76,45 4.991,46 3.951,47 3.827,48 6.181,49 3.795,50 4.654,51 4.878,52 3.683,53 3.657,54 5.98,55 3.636,56 0.218,57 0.812,58 9.461,59 3.789,60 20.58,61 4.999,62 0.378,63 1.202,64 16.36,65 6.967,66 67.129,67 9.231,68 0.37,69 1.453,70 22.096,71 8.092,72 46.331,73 11.101,74 0.537,75 1.545,76 25.232,77 8.756,78 66.097,79 12.055,80 0.647,81 1.561,82 30.368,83 8.972,84 100.6,85 12.859,86 0.629,87 1.414,88 30.441,89 9.399,90 98.065,91 13.574,92 0.784,93 1.233,94 26.42,95 7.796,96 100.345,97 11.285,98 0.695,99 1.03,100 24.751,101 6.436,102 103.821,103 8.551,104 59,105 45,106 0.281,107 0.635,108 0.77,109 0.852,110 0.861,111 0.861,112 3.44,113 0.856,114 -3.92,115 -3.87,116 -3.67,119 39.2,120 1,121 1,125 1,139 7,140 4,141 2,143 1,144 1,147 1,153 1,157 3,158 3,159 3,160 2,166 11,169 2,170 5,172 4,173 4,175 4,178 11,180 2,182 9,185 1,187 7,189 7,191 3,193 13,195 1,196 3,197 1,198 10,200 2,201 4,204 7,205 1,207 9,212 7,215 7,218 5,220 2,221 5,223 1,224 1,226 2,229 8,231 2,233 4,234 9,236 2,237 5,238 2,239 2,240 2,241 8,243 1,246 7,248 1,249 1,251 1,254 6,260 5,262 2,263 2,264 1,265 2,267 1,268 4,270 2,273 1540,274 19.731,275 19.731,276 19.731,277 19.731,278 19.731,279 17.069,280 25.408,281 11.392,282 19.997,283 15.678,284 15.678,285 15.678,286 15.678,287 15.678,288 11.597,289 33.72,290 5.258,291 16.111,292 3.982,293 1.845,294 1.033,295 0.539,296 0.485,297 0.485,298 4.117,301 1,302 1,303 772,304 3.674,307 327.897,314 2,315 42.191,318 0.75,319 0.67,320 0.83,321 0.5,323 0.67,324 0.5,325 0.56,326 66.5,327 370,328 4.557,329 3.806,330 6.777,331 4.163,332 3.186,333 4.297,334 2.612,335 11.103,336 3.116,337 4.34,338 3.5,339 6.403,340 3.894,341 2.93,342 4.023,343 0.98,344 9.756,345 2.828,346 4.164,347 3.232,348 5.929,349 3.788,350 2.781,351 3.755,352 0.657,353 8.227,354 2.791,355 3.712,356 2.84,357 5.331,358 3.366,359 2.37,360 3.174,362 6.821,363 2.359,364 3.699,365 2.623,366 5.302,367 3.228,368 2.287,369 3.043,371 6.684,372 2.152,373 3.48,374 2.342,375 5.038,376 2.941,377 1.989,378 2.825,380 5.704,381 1.892,382 3.3,383 2.223,384 4.896,385 2.916,386 1.954,387 2.548,389 5.283,390 1.871,391 3.115,392 1.97,393 4.77,394 2.703,395 1.751,396 2.329,398 4.999,399 1.66,400 2.786,401 1.852,402 3.8,403 2.309,404 1.288,405 1.793,407 3,408 1.304,409 2.609,410 1.388,411 3.626,412 2,413 1,414 1.597,415 2.425,416 1,417 2.5,418 1,419 3.414,420 2,421 1,422 1.5,423 2.275,424 1,425 1.975,426 1,427 3.375,428 1.718,429 0.758,430 0.886,431 1.776,432 0.725,433 1.692,434 0.997,435 3.17,436 1.493,437 0.514,438 0.585,439 0.973,440 0.502,441 1.333,442 0.65,443 2.747,444 1.026,445 0.071,446 0.086,448 0.153,449 0.068,450 1.08,451 0.276,452 2.503,453 0.706,454 -0.264,455 -0.333,457 -0.673,458 -0.255,459 13.8,460 0.46,461 0.877,462 0.029,463 43.25,464 1.442,465 24,466 0.8,467 19.25,468 0.642,469 21.722,470 0.724,471 32.4,472 0.635,473 36.233,474 1.208,475 8.626,476 0.288,477 5.669,478 0.189,479 0.196,481 0.391,485 0.678,486 1.109,487 0.774,488 0.872,489 0.726,490 0.828,491 0.421,492 1.026,493 0.678,494 1.02,495 0.363,496 0.928,497 0.819,498 1.2,499 0.875,500 1.085,501 0.678,502 1,503 0.904,504 1.275,505 1.055,506 1.254,507 0.844,508 1.2,509 1.138,510 1.064,511 1.165,512 1.056,513 1.044,514 1.092,515 0.928,516 0.955,517 0.945,518 0.997,519 0.974,520 0.981,521 0.776,522 0.874,523 0.85,524 0.98,525 0.846,526 0.945,527 1.806,528 0.838,529 1.222,530 0.852,531 1.825,532 0.909,533 7,534 0.186,535 3.778,536 2.563,537 1.92,538 1.354,539 0.932,540 0.495,541 0.394,542 0.277,543 11338,544 37480,545 1.974,546 41.2,547 3,548 9,551 7,552 2,555 1.728,556 1.8,557 3.537,558 4.202,560 1,564 86.21,565 1.69,566 3.827,567 4.64,568 5.133,569 5.187,570 5.187,571 3.086,572 4.574,573 4.875,574 3.751,575 1631.73,576 8.503,577 22873.3,579 1,581 1,582 289.294,583 1.549,584 4.808,585 0.219,586 0.007,587 0.084,588 0.052,589 0.041,590 0.033,591 0.025,592 0.013,593 0.014,594 0.011,595 0.499,596 0.17,597 0.88,598 0.986,599 155.015,600 0.012,601 0.148,602 -0.005,603 0.174,604 -0.128,605 0.103,606 0.27,607 0.112,608 0.15,609 0.059,610 0.265,611 0.069,612 -0.076,613 -0.109,614 -0.002,615 -0.047,616 -0.024,617 -0.012,618 -0.03,619 -0.211,620 -0.152,621 -0.247,622 -0.018,623 -0.234,624 -0.223,625 -0.068,626 -0.195,627 -0.089,628 -0.165,629 -0.119,630 -0.031,631 -0.034,632 0.066,633 -0.005,634 -0.096,635 0.041,636 0.311,637 0.075,638 0.172,639 -0.028,640 0.215,641 0.025,642 -0.368,643 0.057,644 -0.151,645 0.077,646 -0.285,647 0.025,648 2.47,649 4.661,650 0.6,651 30.8,652 1.017,653 1.138,654 2.686,655 7.216,656 0.661,657 3.497,658 3.829,659 4.078,660 4.317,661 4.522,662 4.595,663 4.673,664 4.691,665 4.812,666 4.844,667 7.198,668 0.647,669 407.48,670 3.497,671 5.043,672 5.889,673 6.77,674 7.634,675 8.518,676 9.389,677 10.276,678 11.151,679 12.038,680 13.7,684 2,685 1,687 1,690 2,691 1,695 7,696 2,700 9,702 18,706 1,711 2,712 1,713 1,718 51,719 21,720 2,721 32,723 53,724 20,725 16,726 5,727 7,728 1,729 3,730 3,734 1,739 1,741 17,742 3,744 3,746 1,748 3,751 1,754 1,757 21,758 9,759 7,760 10,764 7,769 1,770 3,776 1,781 3,802 3,806 1,810 30,811 3,816 2,817 1,829 5.9,832 1,835 2,836 16.667,837 9.183,838 6.667,839 2.858,840 3.367,841 1.454,842 0.985,843 6.377,844 10.776,845 3.807,846 4.437,847 4.989,848 5.552,849 6.089,850 6.358,851 6.705,852 6.965,853 7.381,854 7.673,855 1,856 49,857 11.036,859 4.719,860 8.139,861 20.164,863 16.056,865 2.639,866 79.167,869 1,870 164.795,871 109.743,872 155.943,874 75.892,877 109.743,878 240.687,879 155.943,880 14.495,881 37.537,882 132.128,883 81.431,884 21.013,885 4.227,886 164.795,887 50.747,888 164.795,889 265.687,890 75.892,893 164.795,894 25.145,895 50.747,897 51.018,898 157.416,899 57.252,901 164.795,902 231.835,903 109.743,906 164.795,907 34.584,908 80.829,909 18.011,910 208.154,911 164.795,912 231.835,913 109.743,915 0.586,916 0.343,917 0.182,918 0.098,919 20,920 11,921 0.132,922 7,924 1,925 3.997,926 260.307,928 18,929 141.207,933 21.335,934 8.967,935 4.8,937 226.165,938 11.43,939 8.167,943 3.37,945 116.702,946 506.374,947 44,949 -0.47,951 34.478,954 -0.516,956 51.88,957 58.023,958 0.298,959 0.675,960 0.818,961 0.905,962 0.914,963 0.914,964 5.04,965 1.751,966 5.894,967 5.283,968 4.511,969 5.124,970 2.707,971 6.715,972 4.46,973 6.276,974 1.288,975 7.469,976 4.999,977 4.205,978 5.066,979 2.361,980 7.67,981 4.132,982 7.601,983 1,984 9.142,985 3,986 6.12,987 7.357,988 4.189,989 10.744,990 6.024,991 8.96,992 1,993 10.87,994 2.425,995 6.581,996 8.051,997 4.506,998 12.512,999 6.468,1000 10.346,1001 0.758,1002 12.634,1003 2.275,1004 8.009,1005 9.861,1006 5.953,1007 15.127,1008 7.875,1009 11.751,1010 0.514,1011 14.424,1012 1.776,1013 8.819,1014 10.906,1015 6.556,1016 17.246,1017 8.668,1018 13.172,1019 0.071,1020 16.233,1021 0.973,1022 10.058,1023 12.516,1024 7.795,1025 19.705,1026 9.886,1027 3.186,1028 -0.264,1029 18.057,1030 0.153,1031 11.036,1032 13.742,1033 8.548,1034 21.977,1035 10.844,1036 2.93,1037 11.103,1038 19.894,1039 -0.673,1040 12.2,1041 15.258,1042 9.67,1043 24.383,1044 11.988,1045 2.781,1046 9.756,1047 21.74,1048 4.297,1049 13.257,1050 16.58,1051 10.509,1052 26.721,1053 13.023,1054 2.37,1055 8.227,1056 23.595,1057 4.023,1058 14.395,1059 18.052,1060 11.563,1061 29.113,1062 14.14,1063 2.287,1064 6.821,1065 25.457,1066 3.755,1067 15.491,1068 19.426,1069 12.452,1070 31.48,1071 15.213,1072 1.989,1073 6.684,1074 27.325,1075 3.174,1076 16.623,1077 20.878,1078 13.468,1079 33.87,1080 16.321,1081 1.954,1082 5.704,1083 29.198,1084 3.043,1085 17.738,1086 22.28,1087 14.386,1088 36.252,1089 17.414,1090 11242,1091 20587,1092 20.403,1093 33.733,1094 48.11,1095 49.958,1096 50.536,1097 47.79,1098 47.756,1099 64.881,1100 8.499,1101 138.356,1102 46.535,1103 5.394,1104 5.806,1105 6.299,1106 5.233,1107 5.186,1108 7.297,1109 4.612,1110 17.995,1111 5.116,1112 19.354,1113 1.503,1114 1.561,1115 1.579,1116 1.493,1117 1.492,1118 2.028,1119 0.266,1120 4.324,1121 1.454,1122 4.063,1123 4.094,1124 4.031,1125 3.958,1126 7.815,1127 3.968,1128 3.93,1129 3.958,1130 3.877,1131 3.862,1132 7.437,1133 3.862,1134 3.826,1135 3.872,1136 3.799,1137 3.639,1138 6.999,1139 3.665,1140 3.48,1141 3.517,1142 3.44,1143 3.222,1144 5.285,1145 3.24,1146 3.414,1147 3.487,1148 3.337,1149 3.188,1150 4.98,1151 3.189,1152 3.387,1153 3.451,1154 3.204,1155 3.032,1156 4.904,1157 3.124,1158 3.162,1159 3.251,1160 3.055,1161 2.891,1162 4.725,1163 2.926,1164 3.049,1165 3.17,1166 2.896,1167 2.737,1168 4.634,1169 2.764,1170 0.142,1171 0.119,1172 0.212,1173 0.13,1174 0.1,1175 4.557,1176 0.134,1177 3.806,1178 0.082,1179 6.777,1180 0.347,1181 4.163,1182 0.097,1183 3.186,1184 4.297,1185 2.612,1186 11.103,1187 3.116,1188 1.986,1189 1.96,1190 2.066,1191 2.124,1192 1.217,1193 2.097,1194 1.918,1195 1.895,1196 2.016,1197 2.013,1198 1.158,1199 2.015,1200 1.731,1201 1.686,1202 1.873,1203 1.952,1204 1.022,1205 1.91,1206 1.39,1207 1.312,1208 1.634,1209 1.665,1210 0.709,1211 1.659,1212 1.337,1213 1.282,1214 1.529,1215 1.635,1216 0.582,1217 1.595,1218 1.186,1219 1.152,1220 1.311,1221 1.577,1222 0.218,1223 1.522,1224 1.057,1225 0.983,1226 1.281,1227 1.397,1228 0.213,1229 1.383,1230 0.953,1231 0.85,1232 1.254,1233 1.338,1234 0.146,1235 1.331,1236 4.174,1238 5.501,1240 7.022,1242 8.634,1244 10.295,1246 1.887,1250 16.901,1252 0.869,1253 3.05,1262 32.982,1263 86.21,1264 195.178,1265 236.623,1266 261.784,1267 264.539,1268 264.539,1269 74.55,1270 7.409,1271 178.76,1272 178.76,1273 18,1274 12.571,1275 4.459,1276 3.7,1277 55.409,1278 128,1279 138,1280 0.21,1281 207.784,1282 359.11,1283 498.754,1284 16061,1286 21.836,1287 0.728,1288 0.542,1289 21.836,1290 16.254,1291 14.295,1292 0.447,1293 0.285,1294 8.994,1295 13.67,1296 8.796,1297 7.337,1298 14.295,1299 9.13,1300 13.143,1301 0.292,1302 0.145,1303 13.143,1304 6.546,1305 10.474,1306 0.181,1307 0.079,1308 10.474,1309 4.569,1310 8.735,1311 0.118,1312 0.042,1313 8.735,1314 3.088,1315 6.797,1316 0.075,1317 0.023,1318 6.797,1319 2.061,1320 0.333,1321 90.382,1322 0.221,1323 28.448,1324 0.57,1325 154,1326 510.412,1327 171.522,1328 499.258,1329 666.61,1330 458,1331 180,1332 493.86,1333 196.167,1334 496.324,1335 716.81,1336 465,1337 8.125}
{0 CHEMBL323960,1 1.758,2 7.818,3 2.803,4 7.855,5 90.601,6 8.327,7 0.667,8 3.763,9 3.874,10 3.468,11 3.31,12 4.966,13 3.286,14 4.236,15 4.392,16 3.876,17 3.684,18 5.395,19 3.643,20 4.298,21 4.42,22 3.977,23 3.825,24 5.449,25 3.772,26 4.464,27 4.596,28 4.043,29 3.915,30 5.611,31 3.815,32 4.574,33 4.777,34 3.798,35 3.856,36 5.604,37 3.728,38 4.504,39 4.729,40 3.63,41 3.696,42 5.478,43 3.585,44 4.36,45 4.544,46 3.42,47 3.492,48 5.504,49 3.412,50 4.319,51 4.599,52 3.083,53 3.273,54 5.352,55 3.134,56 0.079,57 0.588,58 7.391,59 3.404,60 11.004,61 3.885,62 0.319,63 0.891,64 15.597,65 5.987,66 27.092,67 6.812,68 0.192,69 1.002,70 14.347,71 6.248,72 14.625,73 6.84,74 0.244,75 1.179,76 22.771,77 8.324,78 20.127,79 9.281,80 0.403,81 1.19,82 26.546,83 8.813,84 34.53,85 10.403,86 0.312,87 1.017,88 24.697,89 8.541,90 25.71,91 10.548,92 0.476,93 0.883,94 18.963,95 6.029,96 37.115,97 7.032,98 0.396,99 0.798,100 18.412,101 5.688,102 38.553,103 8.225,104 30,105 35,106 0.315,107 0.676,108 0.756,109 0.806,110 0.825,111 0.854,112 3.148,113 0.926,114 -3.43,115 -3.41,116 -3.26,119 39.5,120 1,124 2,139 3,140 3,141 2,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 4,169 1,170 7,172 3,173 3,175 1,178 7,180 1,182 6,187 1,189 7,191 1,193 6,195 1,196 1,197 1,198 4,200 2,201 4,204 4,205 1,206 1,207 6,212 2,215 4,218 2,220 1,221 4,226 3,229 2,231 3,233 2,234 2,236 1,237 1,239 2,243 2,245 1,246 1,248 2,249 2,251 2,256 2,262 1,263 1,265 1,270 1,273 600,274 14.757,275 14.757,276 14.757,277 14.757,278 14.757,279 12.816,280 17.377,281 8.364,282 15.443,283 11.688,284 11.688,285 11.688,286 11.688,287 11.688,288 8.624,289 20.19,290 3.783,291 12.653,292 3.49,293 1.475,294 1.027,295 0.744,296 0.639,297 0.481,298 3.822,300 1,301 1,302 1,303 362,304 2.55,306 40.261,307 119.525,310 79.767,314 1.124,315 19.536,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48,327 172,328 4.742,329 3.392,330 6.972,331 4.267,332 3.319,333 4.708,334 0.86,335 11.778,336 3.147,337 4.304,338 3.077,339 6.438,340 3.874,341 2.915,342 3.981,343 0.86,344 9.916,345 2.793,346 3.783,347 2.691,348 5.554,349 3.333,350 2.406,351 3.262,353 7.113,354 2.224,355 3.536,356 2.52,357 5.219,358 3.129,359 2.209,360 2.876,362 6.438,363 2.025,364 3.416,365 2.156,366 5.138,367 2.916,368 2.019,369 2.778,371 6.013,372 1.806,373 3.212,374 1.928,375 4.971,376 2.73,377 1.822,378 2.469,380 5.521,381 1.633,382 2.748,383 1.663,384 4.448,385 2.356,386 1.398,387 1.836,389 3.854,390 1.332,391 2.364,392 1.258,393 3.916,394 1.819,395 0.911,396 1.306,398 2.582,399 0.808,400 1.895,401 0.941,402 3.064,403 1.587,404 0.739,405 0.827,407 1.273,408 0.619,409 1.456,410 0.901,411 2.8,412 1.182,413 0.33,414 0.364,415 0.448,416 0.279,417 1.146,418 0.116,419 2.721,420 0.77,421 -0.168,422 -0.203,423 -0.419,424 -0.156,425 1.028,426 -0.025,427 2.563,428 0.593,429 -0.3,430 -0.388,431 -0.69,432 -0.265,433 0.778,434 -0.26,435 2.42,436 0.385,437 -0.516,438 -0.621,439 -1.125,440 -0.46,441 0.629,442 -0.403,443 2.211,444 0.236,445 -0.676,446 -0.802,448 -1.574,449 -0.605,450 0.439,451 -0.745,452 2.049,453 0.061,454 -0.901,455 -1.218,457 -2.668,458 -0.85,459 10.6,460 0.482,461 0.627,462 0.028,463 30.5,464 1.386,465 16,466 0.727,467 14.5,468 0.659,469 17.096,470 0.777,471 23.6,472 0.621,473 21.039,474 0.956,475 6.049,476 0.275,477 4.496,478 0.204,479 0.217,481 0.425,485 1.027,486 1.126,487 0.747,488 0.888,489 1.25,490 0.833,491 1.122,492 0.64,493 0.689,494 0.633,495 0.681,496 0.564,497 1.171,498 1.075,499 0.912,500 0.896,501 0.965,502 0.859,503 0.812,504 1.438,505 1.357,506 1.607,507 0.742,508 1.305,509 0.837,510 1.083,511 1.341,512 1.305,513 1.101,514 1.201,515 0.87,516 1.089,517 1.012,518 1.145,519 0.608,520 1.029,521 1.559,522 1.198,523 1.322,524 1.194,525 1.369,526 1.293,527 0.744,528 1.001,529 0.727,530 0.852,531 0.851,532 1.063,533 5,535 2.667,536 2.479,537 1.708,538 1.049,539 0.55,540 0.326,541 0.194,542 0.06,543 4179,544 12798,545 2.017,546 42.1,547 3,548 9,551 4,555 1.652,556 1.833,557 2.96,558 1.914,559 1,560 1,562 1,564 66.818,565 1.758,566 3.773,567 4.221,568 4.504,569 4.609,570 4.767,571 2.392,572 3.914,573 4.431,574 3.066,575 708.337,576 7.651,577 7513.46,578 1,579 1,580 1,581 1,582 199.421,583 1.544,584 4.36,585 0.208,587 0.076,588 0.065,589 0.047,590 0.036,591 0.02,592 0.016,593 0.014,594 0.01,595 0.493,596 0.33,597 1,598 1.003,599 98.388,600 -0.145,601 0.017,602 0.044,603 0.067,604 -0.294,605 0.066,606 0.016,607 0.4,608 0.274,609 0.389,610 0.194,611 0.385,612 -0.212,613 0.056,614 0.03,615 0.151,616 -0.156,617 0.065,618 0.024,619 -0.329,620 -0.133,621 -0.363,622 0.066,623 -0.307,624 -0.006,625 -0.049,626 -0.225,627 -0.213,628 -0.192,629 -0.208,630 0.058,631 -0.193,632 0.006,633 -0.122,634 0.179,635 0.001,636 -0.159,637 -0.232,638 -0.414,639 -0.297,640 -0.19,641 -0.399,642 0.181,643 -0.15,644 0.049,645 -0.087,646 0.188,647 -0.092,648 1.49,649 1.996,650 0.682,651 14.595,652 1.012,653 1.127,654 2.197,655 4.825,656 0.688,657 3.219,658 3.584,659 3.912,660 4.234,661 4.454,662 4.605,663 4.673,664 4.745,665 4.736,666 4.635,667 4.785,668 0.654,669 316.42,670 3.219,671 4.779,672 5.659,673 6.572,674 7.474,675 8.395,676 9.304,677 10.229,678 11.143,679 12.069,680 10.5,684 2,690 2,694 2,695 3,696 2,699 1,700 7,702 16,711 2,716 2,718 38,719 16,720 1,721 24,723 40,724 15,725 12,726 3,727 3,729 3,730 4,734 1,741 12,742 3,753 1,754 1,757 16,758 6,759 4,760 7,761 1,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,804 1,806 3,810 22,811 2,818 2,825 1,829 5.3,834 2,836 12,837 7.817,838 4.917,839 1.936,840 3.245,841 1.464,842 0.999,843 3.993,844 10.232,845 3.497,846 4.201,847 4.888,848 5.568,849 6.14,850 6.57,851 6.994,852 7.429,853 7.711,854 7.966,855 1,856 38,857 8.046,859 3.355,860 7.765,861 15.176,863 12.13,865 2.265,866 49.833,870 141.253,871 115.631,872 99.365,874 22,876 31.278,877 84.353,878 163.253,879 99.365,880 30.591,882 94.223,883 33.888,884 41.431,885 5.585,886 172.531,888 141.253,889 183.719,890 22,891 31.278,893 141.253,894 22,897 11.041,898 139.107,899 33.571,900 31.278,901 141.253,902 121.365,903 115.631,906 141.253,907 56.611,908 59.02,910 121.365,911 141.253,912 121.365,913 115.631,915 0.586,916 0.365,917 0.207,918 0.113,919 18,920 9,921 0.075,922 3,923 1,924 1.133,925 3.234,926 181.177,927 0.133,928 15,929 98.107,930 1,933 15.154,934 5.797,935 2.572,936 1.599,937 121.365,938 5.669,939 8.316,942 1.507,943 5.03,945 65.794,946 378.25,947 32,956 38.44,957 42.823,958 0.335,959 0.719,960 0.804,961 0.858,962 0.878,963 0.908,964 4.745,965 0.911,966 5.68,967 3.854,968 4.263,969 4.887,970 1.376,971 6.564,972 4.119,973 6.004,974 0.739,975 7.288,976 2.582,977 4.007,978 4.913,980 7.6,981 3.825,982 7.354,983 0.33,984 8.994,985 1.273,986 5.927,987 7.24,988 1.159,989 10.743,990 5.679,991 8.744,992 -0.168,993 10.755,994 0.448,995 6.463,996 8.069,998 12.601,999 6.174,1000 10.164,1001 -0.3,1002 12.553,1003 -0.419,1004 7.896,1005 9.906,1006 0.963,1007 15.288,1008 7.56,1009 11.607,1010 -0.516,1011 14.376,1012 -0.69,1013 8.792,1014 11.112,1016 17.493,1017 8.409,1018 13.069,1019 -0.676,1020 16.22,1021 -1.125,1022 10.051,1023 12.761,1024 0.787,1025 20.026,1026 9.625,1027 3.319,1028 -0.901,1029 18.08,1030 -1.574,1031 11.109,1032 14.147,1034 22.375,1035 10.632,1036 2.915,1037 11.778,1038 19.953,1039 -2.668,1040 12.309,1041 15.723,1042 0.634,1043 24.853,1044 11.787,1045 2.406,1046 9.916,1047 21.836,1048 4.708,1049 13.437,1050 17.192,1052 27.263,1053 12.862,1054 2.209,1055 7.113,1056 23.727,1057 3.981,1058 14.622,1059 18.741,1060 0.504,1061 29.724,1062 13.998,1063 2.019,1064 6.438,1065 25.626,1066 3.262,1067 15.781,1068 20.249,1070 32.16,1071 15.104,1072 1.822,1073 6.013,1074 27.531,1075 2.876,1076 16.963,1077 21.791,1078 0.395,1079 34.617,1080 16.236,1081 1.398,1082 5.521,1083 29.441,1084 2.778,1085 18.138,1086 23.317,1088 37.065,1089 17.356,1090 4208,1091 7479,1092 15.433,1093 26.148,1094 36.246,1095 36.95,1096 38.939,1097 36.053,1098 36.14,1099 48.812,1100 3.44,1101 109.868,1102 33.33,1103 5.437,1104 5.392,1105 6.541,1106 5.402,1107 5.319,1108 7.708,1109 1.72,1110 19.357,1111 5.147,1112 12.701,1113 1.51,1114 1.54,1115 1.622,1116 1.502,1117 1.506,1118 2.034,1119 0.143,1120 4.578,1121 1.389,1122 4.101,1123 4.114,1124 4.348,1125 4.095,1126 5.304,1127 4.053,1128 3.857,1129 3.878,1130 3.825,1131 3.763,1132 4.982,1133 3.768,1134 3.414,1135 3.481,1136 3.481,1137 3.22,1138 4.92,1139 3.235,1140 3.314,1141 3.365,1142 3.17,1143 3.02,1144 4.616,1145 3.043,1146 3.147,1147 3.237,1148 3.125,1149 2.937,1150 4.573,1151 2.877,1152 3.072,1153 3.187,1154 2.894,1155 2.864,1156 4.162,1157 2.845,1158 2.983,1159 3.074,1160 2.82,1161 2.705,1162 4.046,1163 2.714,1164 2.804,1165 2.876,1166 2.682,1167 2.68,1168 3.76,1169 2.661,1170 0.198,1171 0.141,1172 0.29,1173 0.178,1174 0.138,1175 4.742,1176 0.196,1177 3.392,1178 0.036,1179 6.972,1180 0.491,1181 4.267,1182 0.131,1183 3.319,1184 4.708,1185 0.86,1186 11.778,1187 3.147,1188 1.909,1189 1.898,1190 1.983,1191 2.006,1192 1.144,1193 1.997,1194 1.81,1195 1.781,1196 1.861,1197 1.961,1198 0.983,1199 1.94,1200 1.451,1201 1.428,1202 1.604,1203 1.608,1204 0.688,1205 1.632,1206 1.234,1207 1.173,1208 1.59,1209 1.562,1210 0.586,1211 1.569,1212 1.131,1213 1.038,1214 1.535,1215 1.434,1216 0.556,1217 1.471,1218 1.016,1219 0.964,1220 1.266,1221 1.351,1222 0.341,1223 1.342,1224 0.945,1225 0.825,1226 1.159,1227 1.159,1228 0.101,1229 1.208,1230 0.805,1231 0.739,1232 1.032,1233 1.05,1235 1.077,1236 3.892,1238 5.242,1239 2.398,1240 6.797,1241 4.844,1242 8.449,1243 7.05,1244 10.152,1246 5.261,1250 11.68,1254 10.772,1262 24.863,1263 66.818,1264 143.382,1265 160.402,1266 171.157,1267 175.157,1268 181.157,1269 29.8,1270 6.987,1271 96.28,1272 124.52,1273 17,1274 12.576,1275 4.087,1276 3.17,1277 34.18,1278 62,1279 64,1280 0.28,1281 158.284,1282 259.89,1283 377.973,1284 8491,1286 15.853,1287 0.721,1288 0.606,1289 16.207,1290 13.322,1291 10.545,1292 0.439,1293 0.309,1294 6.532,1295 9.606,1296 6.194,1297 5.197,1298 10.953,1299 7.409,1300 9.569,1301 0.273,1302 0.165,1303 10.185,1304 5.769,1305 8.346,1306 0.17,1307 0.096,1308 9.191,1309 4.706,1310 7.403,1311 0.109,1312 0.054,1313 8.488,1314 3.652,1315 5.563,1316 0.065,1317 0.028,1318 6.538,1319 2.381,1320 0.416,1321 70.979,1322 0.255,1323 20.984,1324 0.84,1325 118,1326 366.246,1327 156.32,1328 372.702,1329 516.77,1330 350,1331 143,1332 372.158,1333 179.364,1334 396.332,1335 583.1,1336 369,1337 6.432}
{0 CHEMBL325333,1 1.595,2 5.938,3 2.379,4 5.659,5 69.529,6 7.812,7 0.556,8 3.523,9 3.661,10 3.202,11 3.127,12 4.57,13 3.061,14 4.063,15 4.244,16 3.641,17 3.571,18 5.076,19 3.461,20 4.334,21 4.559,22 3.702,23 3.737,24 5.201,25 3.6,26 4.358,27 4.575,28 3.661,29 3.689,30 5.283,31 3.501,32 4.194,33 4.457,34 3.001,35 3.33,36 5.082,37 3.133,38 3.877,39 4.161,40 2.633,41 2.904,42 4.794,43 2.772,44 3.638,45 3.962,46 1.913,47 2.51,48 4.524,49 2.305,50 3.272,51 3.666,52 1.156,53 1.971,54 3.878,55 1.658,56 0.042,57 0.506,58 6.865,59 2.758,60 7.099,61 3.607,62 0.148,63 0.823,64 13.596,65 5.492,66 16.829,67 7.144,68 0.122,69 1,70 20.263,71 7.264,72 13.613,73 9.309,74 0.158,75 1.023,76 23.655,77 7.812,78 18.662,79 9.94,80 0.204,81 0.794,82 22.71,83 6.043,84 22.355,85 7.408,86 0.139,87 0.547,88 11.144,89 2.992,90 16.841,91 4.685,92 0.153,93 0.388,94 9.516,95 2.26,96 19.746,97 3.592,98 0.086,99 0.217,100 7.669,101 2.121,102 11.41,103 3.202,104 5,105 26,106 0.306,107 0.609,108 0.728,109 0.827,110 0.852,111 0.852,112 2.857,113 1.067,114 -3.63,115 -3.6,116 -3.43,119 36.7,121 5,140 2,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 6,169 1,170 3,172 3,173 3,175 1,178 9,180 1,182 2,187 1,189 9,191 1,193 4,195 1,196 1,197 1,198 4,200 2,201 4,204 4,205 1,207 4,212 3,218 3,221 3,226 4,231 4,239 2,243 2,251 1,256 1,273 204,274 10.861,275 10.861,276 10.861,277 10.861,278 10.861,279 9.634,280 12.033,281 6.399,282 11.209,283 8.916,284 8.916,285 8.916,286 8.916,287 8.916,288 6.966,289 11.497,290 3.065,291 9.528,292 3.312,293 1.732,294 1.117,295 0.6,296 0.467,297 0.467,298 3.532,301 1,302 1,303 207,304 1.732,306 17.71,307 25.778,308 31.364,310 36.594,311 41.938,314 0.953,315 11.822,318 1,319 0.83,320 1,321 0.8,322 0.5,323 1,324 1,325 0.88,326 34,327 95,328 4.71,329 3.387,330 6.922,331 4.224,332 3.277,333 4.682,335 11.66,336 3.108,337 3.868,338 2.69,339 5.777,340 3.452,341 2.52,342 3.344,344 7.78,345 2.347,346 3.447,347 2.21,348 5.162,349 2.978,350 2.063,351 2.823,353 6.125,354 1.889,355 3.271,356 1.994,357 4.966,358 2.819,359 1.912,360 2.541,362 5.597,363 1.71,364 2.716,365 1.82,366 4.419,367 2.524,368 1.561,369 1.753,371 4.088,372 1.491,373 2.603,374 1.544,375 3.721,376 2.465,377 1.492,378 1.609,380 3.272,381 1.443,382 1.911,383 0.721,384 3.358,385 1.598,386 0.686,387 0.815,389 1.7,390 0.612,391 1.187,392 0.074,393 2.743,394 0.86,395 -0.079,396 -0.092,398 -0.196,399 -0.073,400 0.919,401 -0.196,402 2.515,403 0.567,404 -0.376,405 -0.459,407 -0.978,408 -0.339,409 0.751,410 -0.29,411 2.362,412 0.533,413 -0.41,414 -0.476,415 -1.052,416 -0.4,417 0.53,418 -0.403,419 2.26,420 0.27,421 -0.632,422 -0.713,423 -1.5,424 -0.568,425 0.116,426 -1.118,427 1.829,428 -0.3,429 -1.205,430 -1.561,431 -3.31,432 -1.068,433 -0.214,434 -1.349,435 1.455,436 -0.552,437 -1.482,438 -1.752,439 -3.746,440 -1.345,441 -0.297,442 -1.503,443 1.375,444 -0.671,445 -1.623,446 -1.97,448 -4.241,449 -1.463,450 -0.437,451 -1.622,452 1.054,453 -0.797,454 -1.787,455 -2.062,457 -5.256,458 -1.691,459 7.933,460 0.496,461 0.418,462 0.026,463 19.5,464 1.219,465 9,466 0.563,467 10.5,468 0.656,469 13.499,470 0.844,471 17.267,472 0.576,473 9.708,474 0.607,475 3.115,476 0.195,477 4.639,478 0.29,479 0.101,481 0.378,485 1.136,486 1.062,487 0.777,488 0.784,489 1.245,490 0.822,491 0.299,492 0.88,493 0.715,494 0.912,495 0.262,496 0.912,497 0.838,498 0.965,499 0.903,500 0.909,501 0.652,502 0.858,503 0.502,504 1.368,505 1.234,506 1.492,507 0.506,508 1.292,509 1.547,510 1.181,511 1.732,512 1.455,513 1.426,514 1.214,515 1.612,516 1.072,517 0.825,518 0.797,519 1.603,520 1.075,521 1.913,522 0.735,523 0.947,524 0.673,525 2.137,526 1.047,527 0.817,528 0.477,529 0.477,530 0.432,531 1.151,532 0.613,533 3,535 1.556,536 1.917,537 0.929,538 0.365,539 0.191,540 0.047,541 0.02,543 1807,544 4328,545 2.135,546 46.7,547 8,551 4,552 2,555 1.558,556 2,557 2.608,558 2.198,560 1,561 1,562 1,564 47.85,565 1.595,566 3.174,567 3.79,568 4.307,569 4.44,570 4.44,571 2.227,572 3.875,573 3.976,574 2.645,575 317.453,576 6.724,577 2622.25,578 1,579 1,581 1,582 147.207,583 1.406,584 3.933,585 0.167,587 0.06,588 0.068,589 0.042,590 0.028,591 0.021,592 0.016,593 0.02,595 0.423,596 0.5,597 1,598 0.625,599 61.916,600 -0.204,601 0.125,602 0.048,603 0.175,604 -0.188,605 0.129,606 0.471,607 0.194,608 0.196,609 0.106,610 0.406,611 0.089,612 -0.031,613 0.039,614 0.096,615 0.134,616 0.033,617 0.149,618 0.268,619 -0.363,620 -0.047,621 -0.321,622 0.25,623 -0.26,624 -0.366,625 -0.17,626 -0.458,627 -0.327,628 -0.298,629 -0.252,630 -0.341,631 -0.159,632 -0.174,633 -0.137,634 -0.345,635 -0.224,636 -0.535,637 0.128,638 -0.252,639 -0.028,640 -0.539,641 -0.21,642 0.085,643 0.148,644 0.299,645 0.312,646 -0.02,647 0.354,648 1.388,649 1.952,650 0.875,651 7.625,652 0.997,653 1.133,654 2.396,655 5.741,656 0.683,657 2.944,658 3.296,659 3.611,660 3.97,661 4.174,662 4.331,663 4.317,664 4.382,665 4.304,666 3.97,667 3.635,668 0.63,669 234.36,670 2.944,671 4.489,672 5.361,673 6.271,674 7.166,675 8.085,676 8.99,677 9.912,678 10.82,679 11.742,680 13.3,684 2,690 2,694 2,696 2,699 1,700 4,702 10,711 2,718 30,719 10,721 18,723 32,724 11,725 6,729 3,730 6,736 5,739 5,741 6,742 5,754 1,757 14,758 4,759 4,760 5,761 1,764 4,769 0.333,776 1,780 1,781 1,782 1,784 1,785 1,802 1,804 1,810 16,811 2,816 5,825 1,836 8,837 5.233,838 3.444,839 1.95,840 2.136,841 1.327,842 1.05,843 2.467,844 8.66,845 3.178,846 3.855,847 4.526,848 5.224,849 5.738,850 6.129,851 6.427,852 6.75,853 6.673,854 6.407,855 1,856 28,857 5.909,859 2.554,860 7.583,861 11.623,863 10.039,865 2.083,866 33.333,867 0.005,870 117.711,871 55.611,872 99.365,876 31.278,877 24.334,878 117.711,879 99.365,881 12.673,882 65.794,883 33.888,884 5.759,885 5.585,886 148.989,888 117.711,889 123.699,891 31.278,893 117.711,897 14.889,898 75.239,899 33.571,900 31.278,901 117.711,902 99.365,903 55.611,906 117.711,907 55.611,910 99.365,911 117.711,912 99.365,913 55.611,915 0.585,916 0.347,917 0.211,918 0.117,919 15,920 6,923 2,924 1.286,925 2.79,926 117.619,927 0.286,928 14,929 64,930 1,933 10.27,934 3.843,935 1.687,936 2.007,937 99.365,939 8.341,942 1.73,943 3.623,945 65.794,946 272.688,947 23,956 29.902,957 33.989,958 0.325,959 0.647,960 0.772,961 0.878,962 0.905,963 0.905,964 4.425,965 -0.079,966 5.361,967 1.7,968 3.97,969 4.538,971 6.225,972 3.841,973 5.655,974 -0.376,975 6.944,976 -0.196,977 3.611,978 4.559,980 7.213,981 3.408,982 6.995,983 -0.41,984 8.631,985 -0.978,986 5.595,987 6.88,989 10.387,990 5.352,991 8.376,992 -0.632,993 10.382,994 -1.052,995 6.066,996 7.755,998 12.264,999 5.757,1000 9.795,1001 -1.205,1002 12.174,1003 -1.5,1004 7.544,1005 9.585,1007 14.959,1008 7.199,1009 11.241,1010 -1.482,1011 13.997,1012 -3.31,1013 8.42,1014 10.845,1016 17.199,1017 8.017,1018 12.709,1019 -1.623,1020 15.843,1021 -3.746,1022 9.703,1023 12.493,1025 19.735,1026 9.26,1027 3.277,1028 -1.787,1029 17.706,1030 -4.241,1031 10.76,1032 13.921,1034 22.112,1035 10.263,1036 2.52,1037 11.66,1038 19.584,1039 -5.256,1040 11.974,1041 15.502,1043 24.595,1044 11.432,1045 2.063,1046 7.78,1047 21.474,1048 4.682,1049 13.106,1050 16.998,1052 27.023,1053 12.512,1054 1.912,1055 6.125,1056 23.372,1057 3.344,1058 14.298,1059 18.555,1061 29.487,1062 13.655,1063 1.561,1064 5.597,1065 25.277,1066 2.823,1067 15.461,1068 20.079,1070 31.933,1071 14.766,1072 1.492,1073 4.088,1074 27.189,1075 2.541,1076 16.647,1077 21.627,1079 34.392,1080 15.901,1081 0.686,1082 3.272,1083 29.104,1084 1.753,1085 17.823,1086 23.162,1088 36.844,1089 17.025,1090 1790,1091 2884,1092 12.137,1093 20.478,1094 27.165,1095 27.052,1096 28.205,1097 27.054,1098 27.023,1099 35.134,1101 80.445,1102 25.201,1103 5.606,1104 5.387,1105 6.674,1106 5.364,1107 5.277,1108 7.682,1110 18.776,1111 5.072,1112 6.24,1113 1.509,1114 1.503,1115 1.567,1116 1.503,1117 1.501,1118 1.952,1120 4.469,1121 1.4,1122 4.096,1123 4.116,1124 4.342,1125 4.086,1126 5.301,1127 4.04,1128 3.689,1129 3.757,1130 3.575,1131 3.543,1132 4.981,1133 3.537,1134 3.296,1135 3.357,1136 3.438,1137 3.186,1138 4.61,1139 3.144,1140 3.249,1141 3.332,1142 3.095,1143 3.075,1144 4.19,1145 3.07,1146 3.054,1147 3.176,1148 2.928,1149 2.763,1150 3.851,1151 2.77,1152 2.735,1153 2.84,1154 2.62,1155 2.546,1156 3.677,1157 2.515,1158 2.335,1159 2.462,1160 2.311,1161 2.079,1162 3.599,1163 2.015,1164 2.248,1165 2.382,1166 1.983,1167 1.888,1168 2.959,1169 1.886,1170 0.262,1171 0.188,1172 0.385,1173 0.235,1174 0.182,1175 4.71,1176 0.26,1177 3.387,1179 6.922,1180 0.648,1181 4.224,1182 0.173,1183 3.277,1184 4.682,1186 11.66,1187 3.108,1188 1.841,1189 1.809,1190 1.975,1191 1.989,1192 1.329,1193 1.97,1194 1.698,1195 1.648,1196 1.889,1197 1.853,1198 1.2,1199 1.884,1200 1.601,1201 1.567,1202 1.683,1203 1.719,1204 0.849,1205 1.751,1206 0.995,1207 0.912,1208 1.277,1209 1.369,1210 0.412,1211 1.356,1212 0.932,1213 0.866,1214 1.174,1215 1.165,1216 0.318,1217 1.195,1218 0.691,1219 0.587,1220 1.047,1221 0.965,1223 1.017,1224 0.66,1225 0.545,1226 0.95,1227 0.902,1229 0.971,1230 0.175,1231 0.024,1232 0.641,1233 0.525,1235 0.56,1236 3.611,1238 4.949,1239 2.398,1240 6.475,1241 4.949,1242 8.104,1243 7.182,1244 9.794,1250 11.57,1252 6.062,1262 18.907,1263 47.85,1264 95.233,1265 113.697,1266 129.207,1267 133.207,1268 133.207,1269 17.442,1270 6.524,1271 77.82,1272 106.06,1273 18,1274 12.252,1275 3.459,1276 2.585,1277 21.607,1278 36,1279 31,1280 0.33,1281 120.705,1282 191.93,1283 286.279,1284 4857,1286 11.121,1287 0.695,1288 0.613,1289 11.475,1290 9.809,1291 7.754,1292 0.431,1293 0.356,1294 5.61,1295 7.111,1296 5.434,1297 4.48,1298 8.162,1299 6.404,1300 7.189,1301 0.276,1302 0.204,1303 7.831,1304 5.295,1305 5.998,1306 0.167,1307 0.119,1308 6.774,1309 4.296,1310 5.653,1311 0.109,1312 0.07,1313 6.676,1314 3.656,1315 4.36,1316 0.068,1317 0.042,1318 5.252,1319 2.673,1320 0.475,1321 52,1322 0.287,1323 15.513,1324 1.047,1325 88,1326 212.775,1327 120.562,1328 234.677,1329 331.9,1330 220,1331 106,1332 242.067,1333 135.046,1334 261.804,1335 390.16,1336 248,1337 5.886}
{0 CHEMBL325434,1 1.591,2 10.12,3 2.668,4 7.118,5 100.428,6 7.379,7 0.63,8 3.934,9 4.064,10 3.486,11 3.397,12 5.105,13 3.4,14 4.423,15 4.608,16 3.822,17 3.751,18 5.538,19 3.742,20 4.555,21 4.718,22 3.917,23 3.925,24 5.647,25 3.895,26 4.74,27 4.944,28 3.849,29 3.989,30 5.777,31 3.902,32 4.823,33 5.074,34 3.742,35 3.97,36 5.765,37 3.842,38 4.761,39 5.028,40 3.653,41 3.851,42 5.651,43 3.738,44 4.653,45 4.894,46 3.521,47 3.741,48 5.629,49 3.649,50 4.526,51 4.783,52 3.425,53 3.655,54 5.432,55 3.531,56 0.059,57 0.697,58 9.752,59 3.686,60 11.439,61 5.05,62 0.334,63 1.032,64 18.039,65 6.069,66 28.671,67 8.234,68 0.189,69 1.227,70 19.336,71 6.91,72 18.953,73 9.633,74 0.33,75 1.353,76 24.721,77 8.862,78 35.055,79 12.585,80 0.491,81 1.366,82 28.504,83 9.738,84 42.761,85 14.379,86 0.322,87 1.216,88 27.597,89 8.836,90 35.528,91 13.208,92 0.512,93 1.081,94 24.951,95 7.177,96 46.114,97 10.206,98 0.207,99 0.969,100 21.383,101 7.485,102 25.024,103 10.967,104 30,105 38,106 0.273,107 0.624,108 0.756,109 0.836,110 0.851,111 0.873,112 3.267,113 0.863,114 -3.71,115 -3.68,116 -3.5,119 39.1,124 3,125 1,139 6,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 10,172 3,173 3,175 1,178 4,180 1,182 10,187 1,189 4,191 1,192 1,193 2,195 1,196 1,197 1,198 3,200 2,201 2,204 3,205 1,206 4,207 2,209 1,210 1,212 3,215 4,218 3,221 2,229 4,234 6,236 1,237 1,239 1,241 4,243 1,246 4,251 1,254 2,256 1,259 2,260 2,262 1,263 1,265 2,270 2,273 866,274 16.773,275 16.773,276 16.773,277 16.773,278 16.773,279 14.737,280 23.693,281 9.65,282 17.403,283 13.175,284 13.175,285 13.175,286 13.175,287 13.175,288 9.973,289 32.114,290 4.41,291 14.005,292 3.933,293 1.893,294 1.126,295 0.658,296 0.571,297 0.441,298 3.946,300 1,301 1,302 1,303 534,304 3.162,307 213.282,311 110.199,314 1.485,315 19.39,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54.5,327 253,328 4.55,329 3.272,330 6.521,331 4.071,332 3.104,333 4.495,334 0.916,335 10.241,336 3.002,337 4.28,338 3.123,339 6.222,340 3.895,341 2.932,342 3.915,343 0.86,344 9.337,345 2.823,346 3.909,347 2.873,348 5.924,349 3.567,350 2.63,351 3.328,352 0.86,353 8.248,354 2.464,355 3.547,356 2.674,357 5.221,358 3.159,359 2.235,360 2.864,361 0.172,362 6.492,363 2.056,364 3.456,365 2.24,366 5.065,367 3.019,368 2.1,369 2.811,371 5.915,372 1.925,373 3.418,374 2.085,375 5.012,376 2.937,377 1.992,378 2.772,380 5.793,381 1.881,382 2.941,383 1.958,384 4.489,385 2.577,386 1.617,387 2.082,389 4.481,390 1.546,391 2.506,392 1.376,393 3.981,394 2.133,395 1.172,396 1.509,398 3.094,399 1.123,400 2.411,401 1.217,402 3.706,403 1.972,404 1,405 1.382,407 2.565,408 0.97,409 1.926,410 1.056,411 3.072,412 1.641,413 0.77,414 0.863,415 1.342,416 0.663,417 1.478,418 0.915,419 2.848,420 1.209,421 0.349,422 0.384,423 0.491,424 0.298,425 1.367,426 0.29,427 2.692,428 0.957,429 0.021,430 0.027,431 0.052,432 0.02,433 1.014,434 0.076,435 2.571,436 0.736,437 -0.201,438 -0.233,439 -0.414,440 -0.187,441 0.957,442 -0.203,443 2.481,444 0.477,445 -0.448,446 -0.578,448 -1.155,449 -0.412,450 0.652,451 -0.299,452 2.257,453 0.273,454 -0.646,455 -0.762,457 -1.353,458 -0.583,459 11.667,460 0.467,461 0.66,462 0.026,463 35.25,464 1.41,465 18.5,466 0.74,467 16.75,468 0.67,469 17.805,470 0.712,471 27.333,472 0.594,473 26.566,474 1.063,475 7.301,476 0.292,477 4.711,478 0.188,479 0.197,481 0.377,485 1.031,486 1.392,487 0.827,488 1.135,489 1.215,490 0.963,491 1.243,492 0.787,493 0.791,494 0.704,495 0.701,496 0.685,497 1.134,498 1.306,499 1.029,500 1.157,501 0.911,502 1.083,503 0.9,504 1.224,505 1.112,506 1.264,507 0.86,508 1.24,509 0.598,510 0.98,511 1.014,512 1.123,513 0.85,514 1.138,515 0.904,516 0.978,517 0.907,518 0.999,519 0.731,520 0.96,521 1.675,522 0.72,523 1.279,524 0.834,525 1.433,526 0.97,527 0.769,528 1.097,529 0.896,530 1.131,531 0.696,532 1.061,533 6,534 0.136,535 3.111,536 1.75,537 1.911,538 1.014,539 0.447,540 0.354,541 0.242,542 0.217,543 6727,544 18883,545 2.015,546 45.7,548 17,551 4,555 1.681,556 1.852,557 3.302,558 1.776,559 1,560 1,564 73.177,565 1.591,566 3.631,567 4.398,568 4.866,569 4.953,570 5.083,571 2.713,572 4.214,573 4.618,574 3.445,575 1033.5,576 7.989,577 12446.7,579 1,581 1,582 254.084,583 1.516,584 4.555,585 0.222,586 0.009,587 0.082,588 0.043,589 0.053,590 0.033,591 0.015,592 0.014,593 0.011,594 0.011,595 0.492,596 0.17,597 1,598 0.942,599 120.186,600 -0.109,601 -0.157,602 0.039,603 -0.063,604 -0.24,605 0.01,606 -0.046,607 0.312,608 0.166,609 0.303,610 0.178,611 0.269,612 -0.182,613 -0.146,614 -0.133,615 -0.113,616 -0.102,617 -0.112,618 -0.018,619 -0.176,620 -0.188,621 -0.233,622 -0.023,623 -0.247,624 0.178,625 -0.014,626 -0.059,627 -0.12,628 -0.001,629 -0.131,630 -0.029,631 -0.071,632 0.081,633 -0.01,634 0.069,635 0.048,636 -0.34,637 0.23,638 -0.255,639 0.108,640 -0.341,641 -0.032,642 0.023,643 -0.198,644 0.07,645 -0.101,646 0.069,647 -0.025,648 1.493,649 1.976,650 0.64,651 20.266,652 1.005,653 1.135,654 2.482,655 6.161,656 0.653,657 3.332,658 3.664,659 3.932,660 4.174,661 4.419,662 4.477,663 4.477,664 4.522,665 4.605,666 4.644,667 5.97,668 0.625,669 339.44,670 3.332,671 4.875,672 5.727,673 6.608,674 7.477,675 8.361,676 9.236,677 10.121,678 10.997,679 11.883,680 10.9,684 2,686 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,714 1,716 2,718 46,719 17,720 2,721 27,723 48,724 18,725 14,726 6,727 6,729 3,730 4,741 14,742 4,753 1,754 1,757 21,758 7,759 4,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 3,810 25,811 2,816 1,818 2,821 1,829 4.3,834 2,836 13.5,837 9.1,838 5.611,839 2.335,840 3.368,841 1.471,842 0.98,843 5.039,844 10.513,845 3.597,846 4.248,847 4.866,848 5.463,849 6.058,850 6.322,851 6.613,852 6.944,853 7.327,854 7.434,855 0.857,856 41,857 9.142,859 3.743,860 7.733,861 17.308,863 13.587,865 2.233,866 55.833,869 1,870 200.109,871 114.499,872 102.49,874 22,877 114.499,878 222.109,879 102.49,880 30.162,881 2.106,882 122.652,883 33.571,884 46.27,885 4.227,886 200.109,888 200.109,889 216.989,890 22,893 200.109,894 22,897 6.149,898 177.269,899 33.571,901 200.109,902 124.49,903 114.499,906 200.109,907 27.479,908 90.144,910 121.365,911 200.109,912 124.49,913 114.499,915 0.582,916 0.351,917 0.187,918 0.104,919 18,920 9,921 0.104,922 5,923 1,924 1.125,925 3.601,926 205.197,927 0.125,928 16,929 116.096,933 17.421,934 7.231,935 3.661,936 1.497,937 124.49,938 11.558,939 8.228,943 4.146,945 65.794,946 439.097,947 35.5,956 46.232,957 52.232,958 0.288,959 0.657,960 0.796,961 0.881,962 0.897,963 0.92,964 4.83,965 1.172,966 5.727,967 4.481,968 4.344,969 4.934,970 1.698,971 6.544,972 4.236,973 6.06,974 1,975 7.296,976 3.094,977 4.007,978 4.856,979 0.325,980 7.445,981 3.85,982 7.383,983 0.77,984 8.96,985 2.565,986 5.953,987 7.213,988 1.422,989 10.515,990 5.761,991 8.742,992 0.349,993 10.675,994 1.342,995 6.382,996 7.913,997 0.393,998 12.184,999 6.142,1000 10.128,1001 0.021,1002 12.423,1003 0.491,1004 7.824,1005 9.778,1006 1.2,1007 14.78,1008 7.562,1009 11.534,1010 -0.201,1011 14.193,1012 0.052,1013 8.608,1014 10.86,1015 0.384,1016 16.788,1017 8.303,1018 12.956,1019 -0.448,1020 15.979,1021 -0.414,1022 9.848,1023 12.515,1024 1.01,1025 19.206,1026 9.521,1027 3.104,1028 -0.646,1029 17.777,1030 -1.155,1031 10.803,1032 13.797,1033 0.351,1034 21.37,1035 10.438,1036 2.932,1037 10.241,1038 19.585,1039 -1.353,1040 11.961,1041 15.357,1042 0.845,1043 23.716,1044 11.572,1045 2.63,1046 9.337,1047 21.401,1048 4.495,1049 12.997,1050 16.743,1051 0.312,1052 25.954,1053 12.572,1054 2.235,1055 8.248,1056 23.223,1057 3.915,1058 14.122,1059 18.262,1060 0.702,1061 28.273,1062 13.672,1063 2.1,1064 6.492,1065 25.051,1066 3.328,1067 15.197,1068 19.701,1069 0.273,1070 30.546,1071 14.713,1072 1.992,1073 5.915,1074 26.884,1075 2.864,1076 16.312,1077 21.202,1078 0.579,1079 32.856,1080 15.799,1081 1.617,1082 5.793,1083 28.721,1084 2.811,1085 17.407,1086 22.668,1087 0.236,1088 35.147,1089 16.861,1090 6640,1091 11236,1092 17.512,1093 30.029,1094 40.02,1095 40.72,1096 42.194,1097 39.785,1098 39.844,1099 52.862,1100 5.618,1101 116.1,1102 37.541,1103 5.39,1104 5.272,1105 6.09,1106 5.142,1107 5.104,1108 7.495,1109 1.776,1110 17.135,1111 5.002,1112 14.228,1113 1.482,1114 1.508,1115 1.563,1116 1.474,1117 1.476,1118 1.958,1119 0.208,1120 4.3,1121 1.39,1122 4.077,1123 4.113,1124 4.045,1125 3.98,1126 5.308,1127 3.991,1128 3.926,1129 3.946,1130 3.879,1131 3.841,1132 4.982,1133 3.847,1134 3.564,1135 3.637,1136 3.493,1137 3.35,1138 4.916,1139 3.378,1140 3.333,1141 3.391,1142 3.205,1143 3.105,1144 4.7,1145 3.117,1146 3.281,1147 3.354,1148 3.128,1149 3.011,1150 4.602,1151 3.029,1152 3.146,1153 3.237,1154 3.018,1155 2.895,1156 4.275,1157 2.912,1158 3.129,1159 3.235,1160 2.895,1161 2.868,1162 4.134,1163 2.857,1164 2.951,1165 3.041,1166 2.752,1167 2.787,1168 3.962,1169 2.767,1170 0.169,1171 0.121,1172 0.242,1173 0.151,1174 0.115,1175 4.55,1176 0.166,1177 3.272,1178 0.034,1179 6.521,1180 0.379,1181 4.071,1182 0.111,1183 3.104,1184 4.495,1185 0.916,1186 10.241,1187 3.002,1188 2.015,1189 1.987,1190 2.082,1191 2.133,1192 1.228,1193 2.118,1194 1.892,1195 1.875,1196 1.986,1197 2.004,1198 1.126,1199 1.998,1200 1.487,1201 1.418,1202 1.693,1203 1.738,1204 0.787,1205 1.726,1206 1.265,1207 1.202,1208 1.592,1209 1.569,1210 0.587,1211 1.572,1212 1.226,1213 1.154,1214 1.539,1215 1.506,1216 0.561,1217 1.514,1218 1.131,1219 1.036,1220 1.473,1221 1.431,1222 0.488,1223 1.469,1224 1.047,1225 0.967,1226 1.346,1227 1.386,1228 0.389,1229 1.371,1230 0.988,1231 0.901,1232 1.294,1233 1.209,1234 0.192,1235 1.263,1236 4.007,1238 5.333,1240 6.862,1242 8.484,1244 10.156,1246 5.297,1250 11.622,1252 0.64,1254 10.755,1257 2.09,1262 28.751,1263 73.177,1264 167.011,1265 202.309,1266 223.819,1267 227.819,1268 233.819,1269 34.898,1270 7.145,1271 99.52,1272 99.52,1273 18,1274 12.417,1275 4.17,1276 3.248,1277 41.761,1278 90,1279 83,1280 0.23,1281 179.797,1282 301.64,1283 430.465,1284 11555,1286 17.974,1287 0.719,1288 0.579,1289 17.974,1290 14.484,1291 12.012,1292 0.445,1293 0.288,1294 7.598,1295 11.394,1296 7.307,1297 6.148,1298 12.012,1299 7.763,1300 10.78,1301 0.284,1302 0.15,1303 10.78,1304 5.702,1305 9.128,1306 0.183,1307 0.081,1308 9.128,1309 4.062,1310 7.522,1311 0.118,1312 0.043,1313 7.522,1314 2.748,1315 5.982,1316 0.073,1317 0.022,1318 5.982,1319 1.823,1320 0.358,1321 76.353,1322 0.239,1323 24.103,1324 0.638,1325 130,1326 391.031,1327 144.222,1328 377.063,1329 520.14,1330 354,1331 153,1332 387.88,1333 166.974,1334 398.126,1335 575.4,1336 369,1337 7.585}
{0 CHEMBL32583,1 1.667,2 10.926,3 1.721,4 2.96,5 103.428,6 7.56,7 0.586,8 4.008,9 4.135,10 3.572,11 3.422,12 5.207,13 3.445,14 4.499,15 4.679,16 3.914,17 3.766,18 5.646,19 3.779,20 4.621,21 4.779,22 4.053,23 3.937,24 5.789,25 3.938,26 4.788,27 4.975,28 4.036,29 4.018,30 5.925,31 3.974,32 4.926,33 5.145,34 3.898,35 4.022,36 5.955,37 3.943,38 4.859,39 5.087,40 3.678,41 3.944,42 5.804,43 3.83,44 4.823,45 5.112,46 3.605,47 3.835,48 5.689,49 3.705,50 4.686,51 4.976,52 3.555,53 3.671,54 5.631,55 3.576,56 0.117,57 0.737,58 10.236,59 3.741,60 13.955,61 5.127,62 0.467,63 1.069,64 19.514,65 6.242,66 37.179,67 8.4,68 0.491,69 1.282,70 20.548,71 6.676,72 28.904,73 9.519,74 0.492,75 1.395,76 25.174,77 8.839,78 45.538,79 12.389,80 0.812,81 1.398,82 31.936,83 9.662,84 60.386,85 13.625,86 0.677,87 1.289,88 29.943,89 9.124,90 55.916,91 13.183,92 0.524,93 1.193,94 30.561,95 8.893,96 47.933,97 14.001,98 0.593,99 1.023,100 27.115,101 6.979,102 51.95,103 11.297,104 46,105 41,106 0.283,107 0.629,108 0.746,109 0.779,110 0.789,111 0.817,112 3.34,113 0.85,114 -2.64,115 -2.66,116 -2.59,119 36.7,120 1,124 3,127 1,139 3,140 2,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 5,172 3,173 3,175 4,178 2,180 1,181 2,182 7,185 1,187 4,189 2,191 1,192 2,193 3,195 3,196 3,197 1,198 1,200 2,201 2,204 1,205 1,207 4,210 4,211 1,212 1,214 1,215 4,218 1,221 3,224 1,229 2,234 6,238 1,239 2,240 1,243 2,245 2,246 7,251 2,256 2,259 1,260 1,265 2,270 2,273 1049,274 18.143,275 18.143,276 18.143,277 18.143,278 18.143,279 16.107,280 27.151,281 10.377,282 18.952,283 14.097,284 14.097,285 14.097,286 14.097,287 14.097,288 10.793,289 39.74,290 4.639,291 15.126,292 3.948,293 1.908,294 1.215,295 1.021,296 0.965,297 0.796,298 4.018,300 1,301 1,302 1,303 619,304 3.391,307 241.002,311 126.959,314 1.569,315 26.935,317 1,318 1,319 0.83,320 1,321 1,323 1,324 1,325 0.83,326 60,327 295,328 4.543,329 3.406,330 6.548,331 4.063,332 3.107,333 4.491,334 0.86,335 10.351,336 2.974,337 4.44,338 3.138,339 6.502,340 4.024,341 3.069,342 4.119,343 0.86,344 10.177,345 2.931,346 3.879,347 2.993,348 5.986,349 3.611,350 2.659,351 3.267,352 0.86,353 8.449,354 2.52,355 3.671,356 2.555,357 5.295,358 3.259,359 2.309,360 3.025,361 0.657,362 6.788,363 2.191,364 3.427,365 2.455,366 5.19,367 2.972,368 2.061,369 2.811,371 6.118,372 1.883,373 3.356,374 2.161,375 5.062,376 2.961,377 2.031,378 2.679,380 5.803,381 1.867,382 3.355,383 2.038,384 4.973,385 2.872,386 1.947,387 2.604,389 5.758,390 1.795,391 2.559,392 1.972,393 4.222,394 2.285,395 1.355,396 1.568,398 3.611,399 1.257,400 2.447,401 1.366,402 3.711,403 1.944,404 1.028,405 1.425,407 2.565,408 0.941,409 2.106,410 1.058,411 3.632,412 1.874,413 1,414 1.085,415 2.111,416 0.863,417 1.576,418 0.959,419 2.891,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.497,426 0.916,427 2.859,428 1.161,429 0.315,430 0.339,431 0.468,432 0.264,433 1.391,434 0.326,435 2.662,436 1.079,437 0.162,438 0.202,439 0.343,440 0.148,441 0.987,442 0.093,443 2.513,444 0.551,445 -0.37,446 -0.451,448 -0.783,449 -0.338,450 0.837,451 -0.259,452 2.483,453 0.458,454 -0.458,455 -0.563,457 -1.079,458 -0.414,459 12.4,460 0.459,461 0.712,462 0.026,463 37.5,464 1.389,465 19,466 0.704,467 18.5,468 0.685,469 20.729,470 0.768,471 30.2,472 0.616,473 29.336,474 1.087,475 7.67,476 0.284,477 5.29,478 0.196,479 0.226,481 0.403,485 1.04,486 1.461,487 0.811,488 1.203,489 1.192,490 0.979,491 1.251,492 0.858,493 0.757,494 0.739,495 0.81,496 0.676,497 0.926,498 1.284,499 0.908,500 1.095,501 0.836,502 0.998,503 0.792,504 1.208,505 0.993,506 1.319,507 0.732,508 1.22,509 1.293,510 0.933,511 1.21,512 1.06,513 1.12,514 1.131,515 1.266,516 1.052,517 1.309,518 1.162,519 1.188,520 1.25,521 0.719,522 0.897,523 0.853,524 0.939,525 0.644,526 0.925,527 0.863,528 0.744,529 0.819,530 0.716,531 0.863,532 0.741,533 6.5,534 0.206,535 3.333,536 2.313,537 2.462,538 0.91,539 0.588,540 0.389,541 0.234,542 0.278,543 8277,544 24939,545 1.992,546 44.9,548 13,550 1,551 5,553 3,555 1.701,556 1.82,557 3.397,558 2.584,559 1,560 1,564 81.69,565 1.667,566 3.707,567 4.399,568 4.594,569 4.65,570 4.818,571 2.847,572 4.255,573 4.73,574 3.549,575 1245.74,576 8.207,577 15937.5,579 1,581 1,582 275.121,583 1.541,584 4.659,585 0.224,586 0.01,587 0.081,588 0.05,589 0.057,590 0.025,591 0.021,592 0.014,593 0.009,594 0.012,595 0.504,596 0.17,597 1,598 1.011,599 133.688,600 -0.14,601 -0.187,602 0.034,603 -0.092,604 -0.246,605 0.005,606 -0.071,607 0.229,608 0.199,609 0.291,610 0.129,611 0.287,612 0.054,613 -0.092,614 -0.015,615 -0.043,616 0.005,617 -0.034,618 0.096,619 -0.104,620 -0.086,621 -0.262,622 0.129,623 -0.223,624 -0.143,625 0.033,626 -0.224,627 -0.061,628 -0.151,629 -0.157,630 -0.225,631 -0.102,632 -0.334,633 -0.15,634 -0.296,635 -0.256,636 0.025,637 -0.032,638 0.144,639 0.043,640 0.11,641 0.11,642 0.027,643 0.121,644 0.208,645 0.216,646 0.072,647 0.253,648 1.57,649 1.93,650 0.593,651 23.021,652 1.014,653 1.142,654 1.415,655 2.002,656 0.643,657 3.401,658 3.738,659 4.025,660 4.29,661 4.511,662 4.533,663 4.595,664 4.595,665 4.691,666 4.691,667 6.391,668 0.622,669 370.46,670 3.401,671 4.949,672 5.808,673 6.698,674 7.574,675 8.465,676 9.346,677 10.236,678 11.118,679 12.008,680 12.2,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 3,718 49,719 17,720 1,721 29,723 51,724 18,725 13,726 4,727 2,729 3,730 4,734 1,739 1,741 13,742 5,753 1,754 1,757 22,758 9,759 5,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 4,810 27,811 2,817 1,818 3,820 1,829 6.1,834 3,836 14.833,837 9.933,838 6.139,839 2.504,840 3.33,841 1.456,842 0.959,843 5.723,844 10.631,845 3.651,846 4.304,847 4.933,848 5.539,849 6.116,850 6.372,851 6.679,852 6.956,853 7.354,854 7.443,855 1,856 46,857 9.87,859 4.052,860 7.809,861 18.462,863 14.35,865 2.309,866 62.333,870 200.109,871 109.138,872 134.162,874 33,877 109.138,878 233.108,879 134.162,880 41.474,882 94.223,883 80.138,884 68.008,885 4.227,886 188.338,888 200.109,889 243.3,890 33,893 166.511,894 68.313,897 19.772,898 153.446,899 68.367,901 200.109,902 167.161,903 109.138,906 200.109,907 30.188,908 78.951,909 18.011,910 149.151,911 200.109,912 167.161,913 109.138,915 0.579,916 0.36,917 0.202,918 0.11,919 19,920 10,921 0.118,922 6,923 1,924 1.125,925 3.724,926 228.826,927 0.125,928 16,929 120.382,933 19.261,934 8.022,935 3.939,936 1.081,937 167.161,938 7.297,939 12.356,943 3.824,945 83.805,946 476.409,947 37.5,956 49.662,957 55.94,958 0.297,959 0.66,960 0.784,961 0.818,962 0.828,963 0.858,964 4.892,965 1.355,966 5.814,967 5.758,968 4.419,969 4.99,970 1.841,971 6.653,972 4.293,973 6.126,974 1.028,975 7.397,976 3.611,977 4.111,978 4.956,980 7.6,981 3.957,982 7.456,983 1,984 9.074,985 2.565,986 6.047,987 7.281,988 1.538,989 10.686,990 5.829,991 8.823,992 0.396,993 10.804,994 2.111,995 6.509,996 8.02,998 12.404,999 6.256,1000 10.218,1001 0.315,1002 12.567,1003 0.603,1004 7.944,1005 9.861,1006 1.278,1007 15.019,1008 7.645,1009 11.633,1010 0.162,1011 14.352,1012 0.468,1013 8.76,1014 10.973,1016 17.073,1017 8.42,1018 13.063,1019 -0.37,1020 16.153,1021 0.343,1022 10,1023 12.613,1024 1.053,1025 19.513,1026 9.62,1027 3.107,1028 -0.458,1029 17.967,1030 -0.783,1031 10.982,1032 13.914,1034 21.718,1035 10.558,1036 3.069,1037 10.351,1038 19.791,1039 -1.079,1040 12.145,1041 15.466,1042 0.858,1043 24.089,1044 11.682,1045 2.659,1046 10.177,1047 21.623,1048 4.491,1049 13.203,1050 16.861,1052 26.36,1053 12.695,1054 2.309,1055 8.449,1056 23.462,1057 4.119,1058 14.339,1059 18.374,1060 0.691,1061 28.704,1062 13.79,1063 2.061,1064 6.788,1065 25.306,1066 3.267,1067 15.432,1068 19.815,1070 31.006,1071 14.838,1072 2.031,1073 6.118,1074 27.155,1075 3.025,1076 16.558,1077 21.312,1078 0.549,1079 33.339,1080 15.922,1081 1.947,1082 5.803,1083 29.008,1084 2.811,1085 17.667,1086 22.777,1088 35.655,1089 16.986,1090 8201,1091 14365,1092 18.611,1093 31.489,1094 42.871,1095 44.016,1096 45.881,1097 42.718,1098 42.88,1099 56.132,1100 6.475,1101 126.289,1102 39.952,1103 5.375,1104 5.406,1105 6.09,1106 5.139,1107 5.107,1108 7.491,1109 1.72,1110 17.271,1111 4.974,1112 16.487,1113 1.478,1114 1.518,1115 1.582,1116 1.473,1117 1.479,1118 1.936,1119 0.223,1120 4.355,1121 1.378,1122 4.059,1123 4.101,1124 4.033,1125 3.933,1126 5.325,1127 3.952,1128 3.941,1129 3.957,1130 3.906,1131 3.841,1132 4.984,1133 3.854,1134 3.562,1135 3.625,1136 3.486,1137 3.355,1138 4.973,1139 3.378,1140 3.369,1141 3.439,1142 3.262,1143 3.166,1144 4.824,1145 3.183,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.217,1153 3.293,1154 3.003,1155 2.914,1156 4.468,1157 2.915,1158 3.115,1159 3.224,1160 2.994,1161 2.866,1162 4.351,1163 2.854,1164 3.108,1165 3.207,1166 2.878,1167 2.813,1168 4.152,1169 2.847,1170 0.157,1171 0.117,1172 0.226,1173 0.14,1174 0.107,1175 4.543,1176 0.155,1177 3.406,1178 0.03,1179 6.548,1180 0.357,1181 4.063,1182 0.103,1183 3.107,1184 4.491,1185 0.86,1186 10.351,1187 2.974,1188 1.972,1189 1.94,1190 2.04,1191 2.123,1192 1.213,1193 2.098,1194 1.892,1195 1.876,1196 1.966,1197 2.015,1198 1.063,1199 2.001,1200 1.491,1201 1.434,1202 1.715,1203 1.737,1204 0.823,1205 1.727,1206 1.308,1207 1.243,1208 1.59,1209 1.562,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.57,1215 1.558,1216 0.571,1217 1.556,1218 1.172,1219 1.087,1220 1.509,1221 1.506,1222 0.549,1223 1.526,1224 1.113,1225 1.018,1226 1.482,1227 1.385,1228 0.403,1229 1.429,1230 0.998,1231 0.9,1232 1.269,1233 1.377,1234 0.124,1235 1.359,1236 4.078,1238 5.407,1240 6.944,1242 8.579,1244 10.265,1246 6.747,1250 11.536,1253 3.375,1254 16.193,1256 -0.075,1262 30.487,1263 81.69,1264 181.631,1265 215.572,1266 225.082,1267 227.837,1268 236.101,1269 43.841,1270 7.3,1271 130.43,1272 130.43,1273 18,1274 12.538,1275 4.17,1276 3.248,1277 47.048,1278 105,1279 98,1280 0.223,1281 190.588,1282 321.43,1283 456.794,1284 13884,1286 19.552,1287 0.724,1288 0.578,1289 19.552,1290 15.608,1291 12.96,1292 0.447,1293 0.283,1294 8.008,1295 12.173,1296 7.703,1297 6.491,1298 12.96,1299 8.216,1300 11.51,1301 0.281,1302 0.144,1303 11.51,1304 5.887,1305 9.819,1306 0.179,1307 0.076,1308 9.819,1309 4.168,1310 8.382,1311 0.116,1312 0.039,1313 8.382,1314 2.816,1315 6.715,1316 0.075,1317 0.021,1318 6.715,1319 1.882,1320 0.349,1321 83.364,1322 0.232,1323 25.783,1324 0.611,1325 140,1326 461.099,1327 158.849,1328 436.399,1329 599.49,1330 410,1331 166,1332 445.397,1333 185.209,1334 453.272,1335 659.58,1336 420,1337 5.896}
{0 CHEMBL326200,1 1.778,2 8.625,3 2.786,4 7.763,5 97.064,6 8.249,7 0.615,8 3.863,9 3.97,10 3.553,11 3.369,12 5.069,13 3.357,14 4.348,15 4.506,16 3.953,17 3.736,18 5.493,19 3.711,20 4.384,21 4.486,22 4.099,23 3.895,24 5.585,25 3.86,26 4.589,27 4.709,28 4.148,29 4.004,30 5.772,31 3.928,32 4.75,33 4.933,34 3.904,35 3.951,36 5.794,37 3.857,38 4.67,39 4.892,40 3.794,41 3.838,42 5.628,43 3.725,44 4.593,45 4.831,46 3.606,47 3.701,48 5.584,49 3.572,50 4.436,51 4.673,52 3.403,53 3.481,54 5.488,55 3.362,56 0.106,57 0.635,58 8.332,59 3.823,60 11.972,61 4.35,62 0.431,63 0.949,64 18.121,65 6.552,66 32.268,67 7.368,68 0.391,69 1.076,70 15.469,71 6.797,72 19.042,73 7.46,74 0.354,75 1.291,76 24.845,77 9.252,78 23.884,79 10.421,80 0.656,81 1.301,82 30.776,83 9.534,84 48.76,85 10.761,86 0.406,87 1.156,88 25.805,89 9.368,90 31.638,91 11.983,92 0.535,93 1.07,94 29.818,95 8.84,96 42.133,97 10.864,98 0.501,99 0.883,100 22.484,101 7.083,102 38.299,103 9.407,104 46,105 38,106 0.312,107 0.64,108 0.709,109 0.737,110 0.748,111 0.783,112 3.23,113 0.916,114 -2.92,115 -2.92,116 -2.82,119 38.1,120 1,124 3,139 2,140 3,141 3,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 4,169 1,170 5,172 3,173 3,175 1,178 6,180 1,181 2,182 6,187 1,189 7,191 1,192 1,193 7,195 1,196 1,197 1,198 4,200 2,201 4,204 4,205 1,207 7,212 2,218 2,221 8,226 4,231 4,233 2,234 2,239 2,243 2,245 3,248 2,249 2,259 1,262 3,263 3,273 730,274 16.127,275 16.127,276 16.127,277 16.127,278 16.127,279 14.186,280 18.902,281 9.073,282 16.972,283 12.604,284 12.604,285 12.604,286 12.604,287 12.604,288 9.439,289 22.217,290 3.995,291 13.731,292 3.615,293 1.745,294 1.352,295 1.191,296 1.126,297 0.929,298 3.903,300 1,301 1,302 1,303 433,304 2.828,306 47.798,307 137.337,310 94.253,314 1.24,315 23.513,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 53,327 207,328 4.734,329 3.414,330 6.941,331 4.256,332 3.308,333 4.703,334 0.86,335 11.659,336 3.136,337 4.418,338 3.3,339 6.537,340 3.99,341 3.045,342 4.119,343 0.86,344 10.304,345 2.874,346 3.947,347 2.692,348 6.112,349 3.531,350 2.595,351 3.438,352 0.86,353 8.758,354 2.421,355 3.528,356 2.555,357 5.213,358 3.086,359 2.151,360 2.904,362 6.289,363 2.004,364 3.374,365 2.277,366 5.19,367 2.972,368 2.061,369 2.741,371 6.118,372 1.867,373 3.355,374 2.052,375 5.063,376 2.829,377 1.944,378 2.604,380 5.817,381 1.709,382 2.961,383 1.939,384 4.775,385 2.537,386 1.59,387 2.13,389 4.722,390 1.491,391 2.433,392 1.748,393 4.13,394 2.027,395 1.183,396 1.412,398 3.044,399 0.987,400 2.129,401 1.129,402 3.692,403 1.761,404 0.914,405 1.093,407 2.101,408 0.759,409 1.576,410 0.916,411 2.859,412 1.27,413 0.396,414 0.452,415 0.603,416 0.342,417 1.405,418 0.899,419 2.791,420 1.149,421 0.312,422 0.334,423 0.397,424 0.259,425 1.146,426 0.147,427 2.716,428 0.77,429 -0.167,430 -0.203,431 -0.418,432 -0.156,433 1.027,434 0.051,435 2.494,436 0.597,437 -0.294,438 -0.376,439 -0.663,440 -0.259,441 0.793,442 -0.257,443 2.456,444 0.398,445 -0.501,446 -0.603,448 -1.122,449 -0.444,450 0.65,451 -0.339,452 2.294,453 0.24,454 -0.694,455 -0.819,457 -1.633,458 -0.625,459 11.433,460 0.476,461 0.678,462 0.028,463 32.5,464 1.354,465 16.5,466 0.688,467 16,468 0.667,469 19.811,470 0.825,471 26.367,472 0.628,473 23.837,474 0.993,475 6.548,476 0.273,477 4.946,478 0.206,479 0.245,481 0.437,485 1.014,486 1.209,487 0.749,488 0.972,489 1.206,490 0.884,491 1.256,492 0.599,493 0.694,494 0.575,495 0.807,496 0.499,497 0.916,498 1.104,499 0.864,500 0.922,501 0.867,502 0.865,503 0.784,504 1.487,505 1.337,506 1.63,507 0.643,508 1.313,509 1.494,510 1.026,511 1.391,512 1.192,513 1.443,514 1.197,515 0.883,516 1.102,517 0.806,518 1.044,519 0.739,520 1.094,521 0.98,522 1.011,523 1.273,524 1.167,525 1.001,526 1.03,527 0.691,528 1.12,529 1.004,530 1.164,531 0.721,532 1.163,533 5.5,534 0.037,535 3.111,536 2.917,537 2.099,538 1.087,539 0.613,540 0.444,541 0.309,542 0.17,543 5305,544 16732,545 1.991,546 42.9,547 3,548 11,551 4,555 1.675,556 1.8,557 3.089,558 1.86,559 1,560 1,564 74.664,565 1.778,566 3.647,567 4.04,568 4.201,569 4.267,570 4.463,571 2.471,572 3.772,573 4.558,574 3.204,575 884.284,576 7.897,577 9989.91,578 1,579 1,581 1,582 226.477,583 1.555,584 4.478,585 0.212,586 0.006,587 0.082,588 0.068,589 0.05,590 0.034,591 0.021,592 0.018,593 0.015,594 0.012,595 0.518,596 0.17,597 1,598 1.066,599 111.341,600 -0.135,601 -0.039,602 0.049,603 0.019,604 -0.264,605 0.041,606 -0.072,607 0.439,608 0.286,609 0.455,610 0.12,611 0.457,612 0.07,613 0.073,614 0.07,615 0.158,616 -0.036,617 0.069,618 0.089,619 -0.35,620 -0.156,621 -0.379,622 0.175,623 -0.308,624 -0.337,625 -0.013,626 -0.344,627 -0.159,628 -0.416,629 -0.248,630 -0.016,631 -0.21,632 0.074,633 -0.104,634 0.029,635 -0.078,636 -0.023,637 -0.07,638 -0.117,639 -0.091,640 -0.023,641 -0.011,642 0.254,643 -0.221,644 -0.05,645 -0.231,646 0.235,647 -0.169,648 1.502,649 2.013,650 0.625,651 17.451,652 1.015,653 1.13,654 1.687,655 2.846,656 0.675,657 3.296,658 3.664,659 4.007,660 4.331,661 4.522,662 4.673,663 4.779,664 4.89,665 4.949,666 4.913,667 5.192,668 0.645,669 346.45,670 3.296,671 4.86,672 5.746,673 6.663,674 7.567,675 8.49,676 9.4,677 10.325,678 11.238,679 12.164,680 9.5,684 2,690 2,694 2,695 2,696 2,699 1,700 8,702 16,711 2,716 3,718 42,719 16,720 1,721 26,723 44,724 16,725 12,726 4,727 2,729 3,730 4,734 1,741 12,742 4,753 1,754 1,757 18,758 7,759 4,760 8,761 1,764 4,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,804 1,806 4,810 24,811 2,818 3,825 1,829 7.1,834 3,836 13.333,837 8.9,838 5.444,839 2.096,840 3.197,841 1.447,842 0.98,843 4.691,844 10.355,845 3.555,846 4.259,847 4.953,848 5.626,849 6.182,850 6.627,851 7.065,852 7.525,853 7.869,854 8.166,855 0.833,856 43,857 8.779,859 3.638,860 7.792,861 16.485,863 13.022,865 2.292,866 55,869 1,870 164.795,871 122.281,872 99.365,874 33,876 31.278,877 91.004,878 197.795,879 99.365,880 41.474,882 84.747,883 33.888,884 57.674,885 5.585,886 196.073,888 164.795,889 190.369,890 33,891 31.278,893 164.795,894 33,897 11.041,898 145.757,899 33.571,900 31.278,901 164.795,902 132.365,903 122.281,906 164.795,907 61.854,908 60.427,910 132.365,911 164.795,912 132.365,913 122.281,915 0.584,916 0.374,917 0.219,918 0.112,919 19,920 10,921 0.091,922 4,923 1,924 1.133,925 3.365,926 204.241,927 0.133,928 15,929 102.039,930 1,933 17.045,934 6.606,935 2.878,936 1.569,937 132.365,938 3.79,939 8.327,942 1.494,943 5.166,945 65.794,946 419.442,947 34,956 42.651,957 47.448,958 0.33,959 0.676,960 0.749,961 0.779,962 0.791,963 0.828,964 4.812,965 1.183,966 5.771,967 4.722,968 4.344,969 4.945,970 1.693,971 6.668,972 4.19,973 6.073,974 0.914,975 7.39,976 3.044,977 4.111,978 5.007,980 7.727,981 3.924,982 7.43,983 0.396,984 9.104,985 2.101,986 6.023,987 7.306,988 1.454,989 10.864,990 5.76,991 8.825,992 0.312,993 10.873,994 0.603,995 6.581,996 8.161,998 12.718,999 6.276,1000 10.251,1001 -0.167,1002 12.676,1003 0.397,1004 8.006,1005 9.978,1006 1.232,1007 15.392,1008 7.646,1009 11.699,1010 -0.294,1011 14.503,1012 -0.418,1013 8.914,1014 11.197,1016 17.579,1017 8.504,1018 13.163,1019 -0.501,1020 16.348,1021 -0.663,1022 10.167,1023 12.833,1024 1.028,1025 20.094,1026 9.709,1027 3.308,1028 -0.694,1029 18.206,1030 -1.122,1031 11.228,1032 14.222,1034 22.421,1035 10.716,1036 3.045,1037 11.659,1038 20.076,1039 -1.633,1040 12.422,1041 15.789,1042 0.845,1043 24.881,1044 11.863,1045 2.595,1046 10.304,1047 21.954,1048 4.703,1049 13.548,1050 17.256,1052 27.269,1053 12.933,1054 2.151,1055 8.758,1056 23.84,1057 4.119,1058 14.725,1059 18.798,1060 0.684,1061 29.711,1062 14.061,1063 2.061,1064 6.289,1065 25.731,1066 3.438,1067 15.879,1068 20.302,1070 32.127,1071 15.161,1072 1.944,1073 6.118,1074 27.628,1075 2.904,1076 17.054,1077 21.837,1078 0.546,1079 34.566,1080 16.285,1081 1.59,1082 5.817,1083 29.529,1084 2.741,1085 18.221,1086 23.358,1088 36.996,1089 17.398,1090 5355,1091 9628,1092 16.531,1093 28.364,1094 38.953,1095 40.225,1096 42.692,1097 38.846,1098 38.999,1099 51.859,1100 5.16,1101 119.624,1102 35.7,1103 5.419,1104 5.414,1105 6.484,1106 5.39,1107 5.308,1108 7.703,1109 1.72,1110 19.107,1111 5.136,1112 14.878,1113 1.498,1114 1.547,1115 1.642,1116 1.494,1117 1.5,1118 1.995,1119 0.198,1120 4.601,1121 1.373,1122 4.102,1123 4.115,1124 4.348,1125 4.096,1126 5.304,1127 4.054,1128 3.872,1129 3.884,1130 3.854,1131 3.765,1132 4.985,1133 3.777,1134 3.43,1135 3.492,1136 3.493,1137 3.229,1138 4.97,1139 3.249,1140 3.303,1141 3.355,1142 3.144,1143 3.006,1144 4.612,1145 3.026,1146 3.23,1147 3.302,1148 3.13,1149 2.978,1150 4.58,1151 2.971,1152 3.172,1153 3.255,1154 3.039,1155 2.906,1156 4.458,1157 2.892,1158 3.057,1159 3.179,1160 2.942,1161 2.866,1162 4.199,1163 2.812,1164 2.967,1165 3.054,1166 2.815,1167 2.704,1168 3.981,1169 2.713,1170 0.182,1171 0.131,1172 0.267,1173 0.164,1174 0.127,1175 4.734,1176 0.181,1177 3.414,1178 0.033,1179 6.941,1180 0.448,1181 4.256,1182 0.121,1183 3.308,1184 4.703,1185 0.86,1186 11.659,1187 3.136,1188 1.905,1189 1.898,1190 1.969,1191 2.009,1192 1.145,1193 1.994,1194 1.809,1195 1.781,1196 1.855,1197 1.964,1198 0.983,1199 1.94,1200 1.457,1201 1.44,1202 1.608,1203 1.622,1204 0.69,1205 1.643,1206 1.227,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.184,1213 1.105,1214 1.569,1215 1.51,1216 0.571,1217 1.529,1218 1.148,1219 1.061,1220 1.528,1221 1.432,1222 0.555,1223 1.468,1224 0.962,1225 0.913,1226 1.265,1227 1.35,1228 0.28,1229 1.342,1230 0.944,1231 0.825,1232 1.032,1233 1.133,1234 0.09,1235 1.171,1236 3.97,1238 5.323,1239 2.398,1240 6.884,1241 4.844,1242 8.545,1243 7.05,1244 10.256,1246 6.725,1250 11.713,1254 16.217,1262 27.105,1263 74.664,1264 153.193,1265 169.683,1266 176.438,1267 179.193,1268 187.458,1269 36.132,1270 7.158,1271 105.51,1272 133.75,1273 17,1274 12.671,1275 4.087,1276 3.17,1277 39.028,1278 75,1279 68,1280 0.267,1281 171.873,1282 285.98,1283 411.13,1284 10337,1286 17.43,1287 0.726,1288 0.611,1289 17.784,1290 14.653,1291 11.494,1292 0.442,1293 0.305,1294 7.019,1295 10.411,1296 6.636,1297 5.586,1298 11.902,1299 7.938,1300 10.29,1301 0.271,1302 0.161,1303 10.906,1304 6.116,1305 9.086,1306 0.168,1307 0.093,1308 9.945,1309 4.997,1310 8.262,1311 0.11,1312 0.051,1313 9.308,1314 3.858,1315 6.089,1316 0.067,1317 0.027,1318 7.021,1319 2.487,1320 0.402,1321 77.786,1322 0.246,1323 22.719,1324 0.784,1325 128,1326 421.982,1327 169.198,1328 419.087,1329 577.84,1330 394,1331 156,1332 413.703,1333 196.239,1334 438.222,1335 645.52,1336 406,1337 5.745}
{0 CHEMBL32635,1 1.458,2 10.208,3 2.301,4 5.293,5 96.071,6 7.91,7 0.815,8 3.816,9 3.951,10 3.437,11 3.389,12 5.009,13 3.384,14 4.27,15 4.43,16 3.797,17 3.775,18 5.453,19 3.745,20 4.498,21 4.692,22 3.844,23 3.897,24 5.576,25 3.845,26 4.547,27 4.767,28 3.714,29 3.835,30 5.641,31 3.745,32 4.529,33 4.789,34 3.497,35 3.711,36 5.521,37 3.596,38 4.355,39 4.621,40 3.295,41 3.555,42 5.27,43 3.434,44 4.204,45 4.464,46 3.294,47 3.47,48 5.163,49 3.373,50 4.057,51 4.279,52 3.295,53 3.392,54 5.102,55 3.323,56 0.049,57 0.66,58 7.331,59 2.953,60 10.769,61 3.813,62 0.167,63 1.018,64 12.359,65 5.27,66 19.848,67 6.971,68 0.128,69 1.213,70 16.909,71 6.517,72 18.596,73 8.893,74 0.227,75 1.228,76 18.844,77 7.177,78 34.425,79 9.971,80 0.266,81 1.142,82 20.415,83 6.932,84 35.055,85 9.898,86 0.174,87 0.933,88 17.506,89 6.017,90 27.104,91 8.649,92 0.161,93 0.815,94 14.914,95 5.307,96 22.741,97 7.598,98 0.08,99 0.741,100 11.681,101 4.344,102 15.328,103 6.089,104 5,105 38,106 0.253,107 0.587,108 0.736,109 0.84,110 0.881,111 0.899,112 3.228,113 0.844,114 -4.47,115 -4.4,116 -4.15,119 45,125 1,139 8,140 4,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 12,169 2,170 3,172 3,173 3,175 3,178 14,180 1,182 3,185 1,187 4,189 12,191 1,192 1,195 3,196 3,197 1,198 4,200 2,201 7,204 1,205 1,207 1,210 2,211 1,212 4,214 1,215 5,218 1,221 2,226 1,229 5,234 5,238 1,239 1,240 1,241 6,243 1,246 7,251 2,254 4,256 2,260 7,265 4,268 1,270 4,273 722,274 16.447,275 16.447,276 16.447,277 16.447,278 16.447,279 13.824,280 16.037,281 9.694,282 16.739,283 13.353,284 13.353,285 13.353,286 13.353,287 13.353,288 9.446,289 23.348,290 4.613,291 13.84,292 3.864,293 1.941,294 1.088,295 0.488,296 0.25,297 0.15,298 3.932,300 1,301 1,302 1,303 544,304 2.449,307 226.72,311 193.163,314 1.458,315 16.721,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51,327 245,328 4.542,329 3.144,330 6.508,331 4.045,332 3.081,333 4.491,334 0.657,335 10.202,336 3.028,337 4.492,338 3.097,339 6.5,340 4.02,341 3.028,342 4.429,344 10.168,345 2.948,346 3.777,347 2.58,348 5.339,349 3.369,350 2.423,351 3.237,353 6.929,354 2.294,355 3.509,356 2.266,357 5.172,358 3.092,359 2.117,360 2.906,362 6.198,363 2.072,364 3.427,365 2.141,366 5.062,367 2.959,368 2.023,369 2.811,371 5.8,372 1.883,373 3.358,374 2.016,375 4.966,376 2.871,377 1.941,378 2.686,380 5.732,381 1.796,382 3.118,383 1.618,384 4.167,385 2.618,386 1.618,387 2.427,389 3.801,390 1.618,391 2.77,392 1.298,393 3.71,394 2.276,395 1.277,396 1.904,398 2.853,399 1.275,400 2.458,401 1.169,402 3.601,403 2.017,404 1.041,405 1.441,407 2.565,408 1.015,409 2.41,410 1.057,411 3.419,412 1.942,413 1,414 1.376,415 2.369,416 0.939,417 1.881,418 0.713,419 3.125,420 1.548,421 0.592,422 0.745,423 1.402,424 0.565,425 1.391,426 0.172,427 2.733,428 0.968,429 0.034,430 0.045,431 0.086,432 0.032,433 1.028,434 -0.217,435 2.569,436 0.601,437 -0.366,438 -0.485,439 -0.925,440 -0.351,441 0.951,442 -0.304,443 2.448,444 0.464,445 -0.459,446 -0.59,448 -1.169,449 -0.425,450 0.882,451 -0.618,452 2.301,453 0.382,454 -0.618,455 -0.927,457 -1.478,458 -0.618,459 11.4,460 0.475,461 0.554,462 0.023,463 37.5,464 1.563,465 21.5,466 0.896,467 16,468 0.667,469 14.17,470 0.59,471 24,472 0.6,473 25.391,474 1.058,475 7.451,476 0.31,477 4.252,478 0.177,479 0.07,481 0.351,485 1.16,486 1.106,487 0.78,488 0.818,489 1.289,490 0.758,491 0.588,492 0.903,493 0.782,494 0.937,495 0.49,496 0.897,497 0.966,498 1.147,499 0.952,500 1.064,501 0.815,502 1.017,503 0.748,504 1.07,505 1.086,506 1.218,507 0.721,508 1.204,509 1.017,510 0.904,511 1.132,512 1.042,513 0.996,514 1.092,515 1.048,516 0.885,517 1.058,518 0.958,519 1.027,520 0.999,521 0.844,522 0.747,523 0.858,524 0.797,525 0.808,526 0.823,527 0.931,528 1.1,529 0.91,530 1.017,531 0.856,532 0.971,533 4.5,534 0.103,535 2.667,536 1.5,537 1.493,538 0.444,539 0.283,540 0.236,541 0.209,542 0.177,543 6919,544 18045,545 2.161,546 40,548 10,550 1,551 5,555 1.665,556 2.057,557 3.309,558 2.619,559 1,560 1,562 1,564 58.309,565 1.458,566 3.381,567 4.234,568 4.834,569 5.072,570 5.172,571 2.709,572 4.054,573 4.563,574 3.451,575 952.501,576 7.851,577 11218.6,578 1,579 1,581 1,582 212.877,583 1.281,584 4.532,585 0.167,586 0.006,587 0.07,588 0.038,589 0.047,590 0.018,591 0.013,592 0.011,593 0.009,594 0.009,595 0.389,596 0.17,597 1,598 0.49,599 114.344,600 -0.213,601 0.031,602 0.01,603 0.117,604 -0.318,605 0.1,606 0.305,607 0.18,608 0.052,609 0.023,610 0.245,611 0.005,612 -0.056,613 -0.122,614 -0.056,615 -0.096,616 -0.044,617 -0.079,618 0.193,619 -0.085,620 -0.139,621 -0.246,622 0.178,623 -0.242,624 0.002,625 0.04,626 -0.11,627 -0.067,628 -0.045,629 -0.098,630 -0.132,631 0.024,632 -0.028,633 0.047,634 -0.151,635 0.029,636 0.027,637 0.167,638 0.161,639 0.221,640 0.039,641 0.212,642 -0.054,643 -0.133,644 0.041,645 -0.024,646 -0.009,647 0.014,648 1.538,649 1.909,650 0.833,651 17.924,652 1.001,653 1.127,654 3.244,655 10.522,656 0.696,657 3.332,658 3.664,659 3.951,660 4.234,661 4.477,662 4.466,663 4.543,664 4.635,665 4.779,666 4.754,667 6.008,668 0.669,669 316.4,670 3.332,671 4.875,672 5.733,673 6.616,674 7.487,675 8.372,676 9.247,677 10.131,678 11.008,679 11.891,680 15,684 2,685 1,690 3,694 4,695 9,696 3,700 4,702 22,711 2,712 1,718 40,719 22,720 2,721 27,723 43,724 18,725 17,726 3,727 7,729 4,730 6,741 17,742 1,753 1,754 1,757 16,758 6,759 5,760 6,764 6,769 0.5,775 1,776 1,781 4,785 2,802 2,810 24,811 2,816 1,817 1,836 11.667,837 7.017,838 5.194,839 2.185,840 4.538,841 1.605,842 1.068,843 3.634,844 12.044,845 3.664,846 4.357,847 5.024,848 5.672,849 6.281,850 6.536,851 6.902,852 7.272,853 7.694,854 7.683,855 0.857,856 39,857 8.782,859 3.749,860 7.681,861 16.742,863 13.792,865 2.181,866 52.333,869 1,870 129.482,871 106.567,872 134.162,877 106.567,878 129.482,879 134.162,881 2.106,882 141.604,883 80.138,884 24.424,885 4.227,886 117.711,888 129.482,889 240.728,893 131.197,897 13.052,898 157.593,899 68.367,901 129.482,902 134.162,903 106.567,906 129.482,907 21.709,908 84.857,909 18.011,910 116.151,911 129.482,912 134.162,913 106.567,915 0.583,916 0.345,917 0.196,918 0.108,919 20,920 8,921 0.07,922 3,923 2,924 1.2,925 3.693,926 199.238,927 0.2,928 20,929 108.039,933 14.669,934 5.947,935 2.851,936 3.64,937 134.162,938 18.223,939 12.367,943 2.535,945 83.805,946 370.21,947 38,956 40.029,957 45.066,958 0.274,959 0.635,960 0.796,961 0.908,962 0.953,963 0.972,964 4.879,965 1.277,966 5.714,967 3.801,968 4.344,969 5.043,970 0.623,971 6.524,972 4.276,973 6.114,974 1.041,975 7.268,976 2.853,977 3.892,978 4.913,980 7.402,981 3.795,982 7.437,983 1,984 8.921,985 2.565,986 5.932,987 7.38,988 0.317,989 10.513,990 5.809,991 8.798,992 0.592,993 10.634,994 2.369,995 6.293,996 8.087,998 12.23,999 6.152,1000 10.191,1001 0.034,1002 12.386,1003 1.402,1004 7.8,1005 10.012,1006 0.149,1007 14.848,1008 7.636,1009 11.607,1010 -0.366,1011 14.165,1012 0.086,1013 8.558,1014 11.132,1016 16.917,1017 8.379,1018 13.042,1019 -0.459,1020 15.964,1021 -0.925,1022 9.837,1023 12.819,1024 0.067,1025 19.357,1026 9.638,1027 3.081,1028 -0.618,1029 17.778,1030 -1.169,1031 10.789,1032 14.142,1034 21.573,1035 10.574,1036 3.028,1037 10.202,1038 19.604,1039 -1.478,1040 11.971,1041 15.723,1042 0.03,1043 23.943,1044 11.737,1045 2.423,1046 10.168,1047 21.439,1048 4.491,1049 13.013,1050 17.14,1052 26.22,1053 12.762,1054 2.117,1055 6.929,1056 23.281,1057 4.429,1058 14.155,1059 18.674,1060 0.013,1061 28.562,1062 13.885,1063 2.023,1064 6.198,1065 25.13,1066 3.237,1067 15.238,1068 20.134,1070 30.864,1071 14.95,1072 1.941,1073 5.8,1074 26.983,1075 2.906,1076 16.364,1077 21.647,1078 0.006,1079 33.194,1080 16.057,1081 1.618,1082 5.732,1083 28.84,1084 2.811,1085 17.465,1086 23.127,1088 35.507,1089 17.139,1090 6448,1091 10550,1092 18.493,1093 27.841,1094 40.522,1095 40.513,1096 41.213,1097 40.342,1098 40.35,1099 56.996,1100 1.315,1101 116.213,1102 38.932,1103 5.37,1104 5.144,1105 6.197,1106 5.12,1107 5.081,1108 7.491,1109 1.315,1110 17.096,1111 5.028,1112 8.834,1113 1.501,1114 1.5,1115 1.526,1116 1.494,1117 1.494,1118 2.111,1119 0.049,1120 4.304,1121 1.442,1122 4.105,1123 4.134,1124 4.063,1125 4.057,1126 5.325,1127 4.053,1128 4.024,1129 4.06,1130 3.997,1131 3.902,1132 4.983,1133 3.923,1134 3.557,1135 3.624,1136 3.48,1137 3.428,1138 4.902,1139 3.424,1140 3.443,1141 3.497,1142 3.354,1143 3.279,1144 4.819,1145 3.301,1146 3.213,1147 3.288,1148 3.094,1149 3.069,1150 4.357,1151 3.067,1152 3.109,1153 3.223,1154 3.002,1155 2.814,1156 4.239,1157 2.85,1158 2.913,1159 2.989,1160 2.799,1161 2.716,1162 4.027,1163 2.724,1164 2.699,1165 2.794,1166 2.549,1167 2.573,1168 3.84,1169 2.56,1170 0.168,1171 0.116,1172 0.241,1173 0.15,1174 0.114,1175 4.542,1176 0.166,1177 3.144,1178 0.024,1179 6.508,1180 0.378,1181 4.045,1182 0.112,1183 3.081,1184 4.491,1185 0.657,1186 10.202,1187 3.028,1188 2.082,1189 2.063,1190 2.167,1191 2.147,1192 1.326,1193 2.151,1194 1.958,1195 1.923,1196 2.007,1197 2.102,1198 1.083,1199 2.08,1200 1.531,1201 1.484,1202 1.708,1203 1.716,1204 0.822,1205 1.709,1206 1.399,1207 1.338,1208 1.562,1209 1.584,1210 0.615,1211 1.593,1212 1.194,1213 1.134,1214 1.41,1215 1.41,1216 0.372,1217 1.419,1218 0.998,1219 0.9,1220 1.268,1221 1.373,1222 0.229,1223 1.355,1224 0.886,1225 0.808,1226 1.165,1227 1.105,1228 0.06,1229 1.126,1230 0.69,1231 0.637,1232 0.963,1233 0.948,1235 0.963,1236 4.007,1238 5.333,1240 6.868,1242 8.502,1244 10.187,1250 11.501,1252 0.685,1253 3.382,1262 26.762,1263 58.309,1264 135.228,1265 169.367,1266 193.367,1267 202.877,1268 206.877,1269 27.08,1270 7.506,1271 102.74,1272 102.74,1273 24,1274 12.426,1275 4.524,1276 3.585,1277 34.017,1278 89,1279 76,1280 0.19,1281 165.351,1282 266.52,1283 395.216,1284 19727,1286 16.518,1287 0.688,1288 0.537,1289 16.518,1290 12.9,1291 11.704,1292 0.433,1293 0.281,1294 7.513,1295 11.37,1296 7.362,1297 6.114,1298 11.704,1299 7.598,1300 10.634,1301 0.28,1302 0.146,1303 10.634,1304 5.554,1305 9.036,1306 0.177,1307 0.078,1308 9.036,1309 3.961,1310 7.913,1311 0.116,1312 0.041,1313 7.913,1314 2.793,1315 6.551,1316 0.075,1317 0.022,1318 6.551,1319 1.914,1320 0.299,1321 72.523,1322 0.233,1323 23.45,1324 0.516,1325 130,1326 337.893,1327 139.88,1328 343.148,1329 485.5,1330 322,1331 154,1332 375.479,1333 163.52,1334 385.766,1335 563.94,1336 364,1337 6.62}
{0 CHEMBL327066,1 1.833,2 15.5,3 0.077,4 0.006,5 112.974,6 8.858,7 0.472,8 4.108,9 4.21,10 3.77,11 3.533,12 5.475,13 3.593,14 4.57,15 4.699,16 4.147,17 3.883,18 6.09,19 3.922,20 4.826,21 4.991,22 4.212,23 3.998,24 6.218,25 4.03,26 4.889,27 5.058,28 4.146,29 3.946,30 6.312,31 3.982,32 4.818,33 4.985,34 4.091,35 3.889,36 6.359,37 3.918,38 4.759,39 4.935,40 4.035,41 3.844,42 6.372,43 3.853,44 4.683,45 4.86,46 3.943,47 3.767,48 6.266,49 3.77,50 4.528,51 4.71,52 3.807,53 3.664,54 5.957,55 3.668,56 0.36,57 0.819,58 7.939,59 3.865,60 54.323,61 4.115,62 0.803,63 1.208,64 14.729,65 6.553,66 113.219,67 7.712,68 1.045,69 1.401,70 22.386,71 7.715,72 141.242,73 9.251,74 1.325,75 1.328,76 26.548,77 8.175,78 195.587,79 9.211,80 1.307,81 1.222,82 24.618,83 7.646,84 206.714,85 8.964,86 1.264,87 1.135,88 23.645,89 7.717,90 200.656,91 9.683,92 1.214,93 1.036,94 23.139,95 7.612,96 188.245,97 9.6,98 0.828,99 0.949,100 18.589,101 6.271,102 120.558,103 7.901,104 74,105 50,106 0.302,107 0.704,108 0.831,109 0.868,110 0.887,111 0.887,112 3.56,113 0.809,114 -2.58,115 -2.6,116 -2.53,119 37.7,121 2,125 1,127 1,139 4,140 2,142 1,143 2,144 1,146 1,147 1,153 4,157 2,158 2,159 2,161 2,165 2,166 7,167 1,169 3,170 4,172 3,173 6,175 3,176 1,178 6,179 2,181 4,182 8,184 1,185 2,186 1,187 5,189 3,190 1,192 2,193 8,194 1,195 3,196 3,197 1,198 3,199 1,200 2,201 1,202 1,203 1,205 1,206 2,207 6,208 2,209 1,210 3,211 1,212 2,213 2,215 3,216 2,220 4,221 5,222 1,223 1,224 3,225 1,226 2,229 4,230 3,233 3,234 7,237 3,239 3,241 3,242 3,245 2,246 8,248 2,249 2,251 4,254 1,255 2,256 1,260 9,261 2,265 4,269 1,270 2,273 2216,274 22.085,275 22.085,276 22.085,277 22.085,278 22.085,279 19.451,280 22.561,281 12.89,282 22.51,283 17.711,284 17.711,285 17.711,286 17.711,287 17.711,288 13.587,289 23.394,290 6.113,291 18.383,292 3.895,293 1.45,294 0.679,295 0.453,296 0.34,297 0.34,298 4.237,301 1,303 1096,304 4.848,307 352.547,311 189.234,314 2.529,315 66.394,318 0.5,319 0.33,320 0.5,321 0.2,323 0.5,324 0.5,325 0.36,326 78.5,327 527,328 4.541,329 3.777,330 6.502,331 4.021,332 3.079,333 4.491,334 2.375,335 10.175,336 2.905,337 4.259,338 3.666,339 6.138,340 3.914,341 2.918,342 3.845,343 2.341,344 8.955,345 2.894,346 4.019,347 3.592,348 6.002,349 3.747,350 2.762,351 3.348,352 1.727,353 8.491,354 2.709,355 3.826,356 3.517,357 5.808,358 3.548,359 2.549,360 3.226,361 1.061,362 7.802,363 2.533,364 3.759,365 3.129,366 5.311,367 3.338,368 2.391,369 3.014,370 0.636,371 6.876,372 2.258,373 3.524,374 2.671,375 5.062,376 3.178,377 2.172,378 2.811,379 0.14,380 5.803,381 2.155,382 3.429,383 2.295,384 4.971,385 2.969,386 2.045,387 2.7,389 5.757,390 1.883,391 3.377,392 2.192,393 4.645,394 2.885,395 1.965,396 2.687,398 5.121,399 1.803,400 3.114,401 2.125,402 4.36,403 2.64,404 1.648,405 2.24,407 4.216,408 1.615,409 2.693,410 2.051,411 4.049,412 2.284,413 1.306,414 1.676,415 3.368,416 1.255,417 2.5,418 1.674,419 3.71,420 2.075,421 1.072,422 1.5,423 2.565,424 1.058,425 2.46,426 1.445,427 3.607,428 2,429 1.006,430 1.433,431 2.563,432 1,433 2.45,434 1.104,435 3.414,436 1.917,437 1,438 1.334,439 2.275,440 0.915,441 1.856,442 1.057,443 3.122,444 1.489,445 0.55,446 0.674,448 1.296,449 0.508,450 1.57,451 1,452 2.826,453 1.337,454 0.334,455 0.38,457 0.754,458 0.328,459 15.133,460 0.445,461 1.038,462 0.031,463 46,464 1.353,465 23,466 0.676,467 23,468 0.676,469 25.393,470 0.747,471 37.667,472 0.711,473 41.625,474 1.224,475 9.521,476 0.28,477 6.613,478 0.195,479 0.185,481 0.396,485 0.921,486 1.349,487 0.722,488 1.036,489 0.806,490 0.833,491 0.557,492 1.159,493 0.692,494 1.107,495 0.468,496 0.987,497 0.966,498 1.082,499 0.972,500 1.066,501 0.95,502 1.027,503 1.341,504 0.941,505 1.173,506 1.006,507 1.309,508 1.034,509 1.16,510 0.957,511 1.115,512 1.014,513 1.175,514 1.043,515 0.814,516 0.882,517 0.963,518 1.038,519 0.839,520 1.049,521 0.847,522 0.942,523 0.887,524 1.01,525 0.836,526 0.992,527 0.904,528 0.979,529 0.936,530 1.044,531 0.924,532 1.019,533 8.5,534 0.161,535 4.444,536 2.188,537 2.2,538 1.292,539 0.69,540 0.479,541 0.447,542 0.339,543 18116,544 72258,545 1.96,546 35.8,548 7,550 1,551 7,552 2,553 2,555 1.754,556 1.789,557 3.87,558 4.111,560 1,564 97.128,565 1.833,566 4.278,567 5.049,568 5.275,569 5.388,570 5.388,571 3.329,572 4.572,573 5.059,574 4.094,575 2296.85,576 8.837,577 37883.3,582 303.58,583 1.549,584 4.989,585 0.236,586 0.005,587 0.089,588 0.042,589 0.047,590 0.029,591 0.017,592 0.013,593 0.013,594 0.011,595 0.502,596 0.17,597 0.75,598 1.629,599 187.359,600 -0.208,601 -0.098,602 -0.039,603 0.052,604 -0.164,605 0.079,606 0.217,608 0.096,609 -0.046,610 0.192,611 -0.035,612 -0.098,613 -0.015,614 -0.073,615 -0.071,616 -0.12,617 -0.068,618 -0.273,619 0.023,620 -0.186,621 -0.033,622 -0.247,623 -0.075,624 -0.105,625 0.004,626 -0.129,627 -0.026,628 -0.081,629 -0.071,630 0.173,631 0.066,632 0.035,633 -0.021,634 0.165,635 -0.029,636 0.17,637 -0.048,638 0.144,639 0.041,640 0.176,641 0.071,642 -0.008,643 -0.01,644 0.04,645 -0.008,646 -0.027,647 0.022,648 3.025,649 5.32,650 0.471,651 43.55,652 1.043,653 1.14,654 1.347,655 1.813,656 0.656,657 3.611,658 3.932,659 4.127,660 4.317,661 4.543,662 4.585,663 4.615,664 4.625,665 4.762,666 4.762,667 9.031,668 0.666,669 469.46,670 3.611,671 5.153,672 5.979,673 6.843,674 7.688,675 8.554,676 9.407,677 10.273,678 11.132,679 11.999,680 13.2,684 2,687 1,690 4,694 2,695 5,696 4,700 5,702 17,707 1,710 1,711 2,718 53,719 21,720 1,721 36,723 55,724 20,725 12,726 2,727 4,728 2,729 3,730 4,739 3,741 16,742 4,744 4,748 4,751 4,754 1,757 19,758 14,759 7,760 14,764 7,769 0.667,770 7,774 1,776 1,781 3,785 1,792 2,800 2,802 2,810 34,811 2,815 2,816 3,817 1,818 1,820 1,829 13.2,831 2,832 4,834 1,836 19,837 9.2,838 7.472,839 2.76,840 3.451,841 1.449,842 0.92,843 7.89,844 11.142,845 3.902,846 4.489,847 5.002,848 5.536,849 6.108,850 6.375,851 6.696,852 6.896,853 7.271,854 7.269,855 1,856 52,857 12.619,859 5.551,860 8.446,861 22.176,863 17.453,865 2.946,866 100.167,870 141.253,871 87.544,872 150.947,874 196.946,877 87.544,878 338.2,879 150.947,881 27.672,882 103.699,883 278.575,884 33.035,885 4.227,886 129.482,888 141.253,889 238.491,890 196.946,893 119.426,894 220.488,897 43.52,898 126.114,899 67.142,901 141.253,902 347.894,903 87.544,906 141.253,907 40.592,908 46.952,909 18.011,910 329.883,911 141.253,912 347.894,913 87.544,915 0.587,916 0.326,917 0.161,918 0.092,919 21,920 12,921 0.182,922 10,923 1,924 1.125,925 4.466,926 293.636,927 0.125,928 16,929 168.974,933 24.766,934 10.832,935 6.577,936 0.406,937 347.894,938 6.606,939 15.962,943 0.479,945 169.172,946 576.691,947 48.5,951 46.449,954 -3.979,956 55.305,957 60.445,958 0.32,959 0.747,960 0.881,961 0.921,962 0.941,963 0.941,964 5.137,965 1.965,966 5.979,967 5.757,968 4.615,969 5.176,970 3.321,971 6.758,972 4.543,973 6.357,974 1.648,975 7.531,976 5.121,977 4.29,978 5.094,979 2.882,980 7.612,981 4.205,982 7.667,983 1.306,984 9.177,985 4.216,986 6.192,987 7.365,988 4.582,989 10.646,990 6.056,991 9.006,992 1.072,993 10.876,994 3.368,995 6.608,996 8.046,997 4.828,998 12.275,999 6.461,1000 10.372,1001 1.006,1002 12.608,1003 2.565,1004 8.028,1005 9.862,1006 6.077,1007 14.839,1008 7.832,1009 11.758,1010 1,1011 14.362,1012 2.563,1013 8.783,1014 10.919,1015 6.631,1016 16.811,1017 8.571,1018 13.159,1019 0.55,1020 16.133,1021 2.275,1022 10.008,1023 12.549,1024 7.68,1025 19.201,1026 9.752,1027 3.079,1028 0.334,1029 17.916,1030 1.296,1031 10.932,1032 13.812,1033 8.385,1034 21.336,1035 10.65,1036 2.918,1037 10.175,1038 19.71,1039 0.754,1040 12.074,1041 15.358,1042 9.337,1043 23.659,1044 11.75,1045 2.762,1046 8.955,1047 21.512,1048 4.491,1049 13.082,1050 16.732,1051 10.118,1052 25.874,1053 12.725,1054 2.549,1055 8.491,1056 23.32,1057 3.845,1058 14.191,1059 18.244,1060 11.023,1061 28.175,1062 13.793,1063 2.391,1064 7.802,1065 25.135,1066 3.348,1067 15.242,1068 19.677,1069 11.843,1070 30.431,1071 14.806,1072 2.172,1073 6.876,1074 26.954,1075 3.226,1076 16.34,1077 21.175,1078 12.724,1079 32.728,1080 15.861,1081 2.045,1082 5.803,1083 28.778,1084 3.014,1085 17.414,1086 22.638,1087 13.563,1088 35.006,1089 16.893,1090 17855,1091 35775,1092 22.887,1093 34.79,1094 54.335,1095 56.863,1096 55.72,1097 53.681,1098 53.594,1099 70.716,1100 16.561,1101 152.036,1102 51.642,1103 5.453,1104 5.777,1105 5.916,1106 5.102,1107 5.079,1108 7.491,1109 4.103,1110 17.069,1111 4.905,1112 22.961,1113 1.509,1114 1.58,1115 1.548,1116 1.491,1117 1.489,1118 1.964,1119 0.46,1120 4.223,1121 1.434,1122 4.035,1123 4.083,1124 4.017,1125 3.894,1126 7.478,1127 3.909,1128 3.949,1129 3.972,1130 3.906,1131 3.834,1132 7.471,1133 3.858,1134 3.762,1135 3.795,1136 3.679,1137 3.589,1138 7.433,1139 3.601,1140 3.548,1141 3.593,1142 3.492,1143 3.332,1144 7.428,1145 3.364,1146 3.462,1147 3.478,1148 3.403,1149 3.206,1150 6.352,1151 3.248,1152 3.324,1153 3.322,1154 3.295,1155 3.068,1156 6.35,1157 3.12,1158 3.112,1159 3.22,1160 3.045,1161 2.797,1162 5.342,1163 2.845,1164 3.099,1165 3.142,1166 2.992,1167 2.774,1168 4.99,1169 2.82,1170 0.126,1171 0.105,1172 0.181,1173 0.112,1174 0.086,1175 4.541,1176 0.125,1177 3.777,1178 0.066,1179 6.502,1180 0.283,1181 4.021,1182 0.081,1183 3.079,1184 4.491,1185 2.375,1186 10.175,1187 2.905,1188 1.927,1189 1.906,1190 2.016,1191 2.109,1192 1.222,1193 2.068,1194 1.905,1195 1.864,1196 1.949,1197 2.02,1198 1.097,1199 2.015,1200 1.703,1201 1.663,1202 1.896,1203 1.9,1204 0.986,1205 1.895,1206 1.448,1207 1.406,1208 1.597,1209 1.699,1210 0.683,1211 1.669,1212 1.322,1213 1.3,1214 1.476,1215 1.619,1216 0.586,1217 1.57,1218 1.161,1219 1.16,1220 1.286,1221 1.457,1222 0.271,1223 1.394,1224 0.985,1225 0.908,1226 1.257,1227 1.377,1228 0.218,1229 1.355,1230 0.953,1231 0.871,1232 1.181,1233 1.301,1234 0.139,1235 1.253,1236 4.29,1238 5.609,1240 7.106,1242 8.686,1244 10.314,1250 11.26,1251 17.83,1252 -0.918,1253 2.245,1254 5.196,1256 -1.368,1262 35.314,1263 97.128,1264 226.709,1265 267.58,1266 279.58,1267 285.58,1268 285.58,1269 109.951,1270 7.69,1271 233.6,1272 233.6,1273 18,1274 12.546,1275 4.459,1276 3.755,1277 67.896,1278 187,1279 162,1280 0.174,1281 220.842,1282 391.63,1283 530.615,1284 25880,1286 24.828,1287 0.73,1288 0.514,1289 24.828,1290 17.465,1291 16.134,1292 0.448,1293 0.27,1294 9.492,1295 15.199,1296 9.388,1297 7.73,1298 16.134,1299 9.71,1300 15.075,1301 0.301,1302 0.139,1303 15.075,1304 6.951,1305 11.555,1306 0.189,1307 0.074,1308 11.555,1309 4.485,1310 8.991,1311 0.122,1312 0.038,1313 8.991,1314 2.8,1315 7.234,1316 0.078,1317 0.019,1318 7.234,1319 1.794,1320 0.286,1321 103.84,1322 0.209,1323 32.291,1324 0.447,1325 172,1326 700.515,1327 201.205,1328 659.797,1329 857.47,1330 606,1331 197,1332 599.638,1333 223.082,1334 597.817,1335 867.95,1336 559,1337 6.921}
{0 CHEMBL32708,1 1.664,2 10.208,3 1.359,4 1.848,5 92.547,6 7.771,7 0.654,8 3.863,9 3.993,10 3.452,11 3.303,12 5.079,13 3.327,14 4.332,15 4.506,16 3.782,17 3.645,18 5.519,19 3.654,20 4.454,21 4.621,22 3.856,23 3.774,24 5.603,25 3.768,26 4.579,27 4.779,28 3.756,29 3.784,30 5.715,31 3.725,32 4.628,33 4.881,34 3.582,35 3.731,36 5.638,37 3.626,38 4.501,39 4.766,40 3.436,41 3.588,42 5.435,43 3.492,44 4.399,45 4.647,46 3.408,47 3.475,48 5.4,49 3.415,50 4.207,51 4.418,52 3.37,53 3.419,54 5.268,55 3.356,56 0.104,57 0.66,58 8.34,59 3.08,60 12.572,61 4.136,62 0.373,63 0.954,64 15.571,65 5.266,66 30.874,67 6.927,68 0.272,69 1.106,70 16.614,71 5.618,72 21.896,73 7.786,74 0.445,75 1.145,76 20.245,77 6.831,78 41.604,79 9.552,80 0.569,81 1.095,82 23.508,83 7.131,84 45.29,85 10.728,86 0.34,87 0.932,88 21.042,89 6.276,90 34.623,91 9.567,92 0.497,93 0.812,94 19.613,95 5.45,96 39.4,97 7.826,98 0.239,99 0.761,100 14.209,101 4.848,102 20.994,103 6.974,104 21,105 36,106 0.291,107 0.66,108 0.779,109 0.837,110 0.854,111 0.879,112 3.228,113 0.835,114 -2.9,115 -2.91,116 -2.81,119 38.1,124 2,125 1,139 4,140 2,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 7,172 3,173 3,175 3,178 2,180 1,182 7,185 1,187 3,189 2,191 1,192 1,195 3,196 4,197 1,198 2,200 2,201 1,204 1,205 1,206 1,207 1,210 3,211 1,212 2,214 1,215 2,218 1,221 2,229 2,233 1,234 5,238 1,239 1,240 1,241 2,243 1,245 1,246 4,251 1,254 1,256 1,259 2,260 2,262 1,263 1,265 2,270 2,273 754,274 16.273,275 16.273,276 16.273,277 16.273,278 16.273,279 14.213,280 23.178,281 9.454,282 16.916,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.461,289 32.234,290 4.328,291 13.553,292 3.728,293 1.618,294 0.941,295 0.607,296 0.512,297 0.369,298 3.91,300 1,301 1,302 1,303 519,304 2.828,307 202.314,311 104.615,314 1.458,315 22.253,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 53,327 245,328 4.541,329 3.197,330 6.502,331 4.037,332 3.079,333 4.491,334 0.86,335 10.175,336 2.951,337 4.267,338 3.113,339 6.173,340 3.871,341 2.905,342 3.911,343 0.86,344 9.172,345 2.804,346 3.77,347 2.694,348 5.313,349 3.353,350 2.41,351 3.232,352 0.657,353 6.885,354 2.271,355 3.543,356 2.56,357 5.22,358 3.158,359 2.235,360 2.856,362 6.487,363 2.055,364 3.429,365 2.196,366 5.062,367 2.971,368 2.044,369 2.811,371 5.803,372 1.889,373 3.373,374 2.074,375 4.971,376 2.884,377 1.965,378 2.696,380 5.756,381 1.803,382 2.918,383 1.951,384 4.391,385 2.555,386 1.594,387 2.058,389 4.254,390 1.525,391 2.454,392 1.258,393 3.71,394 1.945,395 1.008,396 1.434,398 2.565,399 0.942,400 2.032,401 1.059,402 3.284,403 1.725,404 0.805,405 0.955,407 1.761,408 0.733,409 1.815,410 0.923,411 3.014,412 1.546,413 0.656,414 0.736,415 1.223,416 0.581,417 1.471,418 0.877,419 2.756,420 1.189,421 0.332,422 0.366,423 0.463,424 0.282,425 1.338,426 0.224,427 2.641,428 0.941,429 0.021,430 0.027,431 0.049,432 0.019,433 0.976,434 -0.026,435 2.529,436 0.513,437 -0.407,438 -0.499,439 -0.812,440 -0.371,441 0.818,442 -0.295,443 2.39,444 0.451,445 -0.471,446 -0.588,448 -1.154,449 -0.429,450 0.639,451 -0.395,452 2.206,453 0.235,454 -0.706,455 -0.867,457 -1.804,458 -0.656,459 11.067,460 0.461,461 0.571,462 0.024,463 35,464 1.458,465 18.5,466 0.771,467 16.5,468 0.688,469 15.477,470 0.645,471 26.133,472 0.622,473 25.271,474 1.053,475 7.214,476 0.301,477 4.387,478 0.183,479 0.163,481 0.361,485 1.069,486 1.389,487 0.794,488 1.098,489 1.22,490 0.907,491 1.183,492 0.855,493 0.782,494 0.781,495 0.741,496 0.732,497 1.124,498 1.344,499 0.972,500 1.162,501 0.931,502 1.053,503 0.943,504 1.139,505 1.132,506 1.26,507 0.883,508 1.253,509 0.736,510 0.913,511 1.058,512 1.046,513 0.881,514 1.105,515 0.88,516 0.969,517 0.96,518 1.026,519 0.867,520 1.002,521 1.373,522 0.661,523 0.998,524 0.69,525 1.04,526 0.77,527 0.87,528 1.242,529 0.981,530 1.242,531 0.847,532 1.159,533 5.5,534 0.136,535 2.667,536 1.5,537 1.711,538 0.646,539 0.345,540 0.295,541 0.242,542 0.217,543 6310,544 18904,545 2.04,546 42.9,548 12,550 1,551 5,555 1.667,556 1.895,557 3.315,558 2.702,559 1,560 1,562 1,564 69.909,565 1.664,566 3.774,567 4.452,568 4.785,569 4.88,570 5.023,571 2.709,572 3.835,573 4.56,574 3.46,575 954.832,576 7.859,577 11355.9,578 1,579 1,582 226.477,583 1.459,584 4.507,585 0.212,586 0.009,587 0.074,588 0.039,589 0.053,590 0.025,591 0.015,592 0.013,593 0.011,594 0.011,595 0.462,596 0.17,597 1,598 0.921,599 114.568,600 -0.169,601 -0.15,602 0.023,603 -0.04,604 -0.273,605 0.032,606 -0.036,607 0.239,608 0.14,609 0.235,610 0.152,611 0.212,612 -0.168,613 -0.204,614 -0.096,615 -0.139,616 -0.106,617 -0.108,618 0.013,619 -0.087,620 -0.211,621 -0.258,622 0.027,623 -0.291,624 0.124,625 0.035,626 -0.078,627 -0.067,628 0.008,629 -0.107,630 -0.058,631 -0.059,632 0.034,633 -0.037,634 -0.038,635 0.019,636 -0.152,637 0.221,638 0.044,639 0.276,640 -0.072,641 0.21,642 0.005,643 -0.244,644 -0.05,645 -0.203,646 -0.028,647 -0.151,648 1.561,649 1.881,650 0.667,651 19.25,652 1.014,653 1.14,654 1.673,655 2.799,656 0.655,657 3.296,658 3.611,659 3.871,660 4.111,661 4.344,662 4.357,663 4.369,664 4.394,665 4.543,666 4.575,667 6.047,668 0.636,669 326.4,670 3.296,671 4.828,672 5.673,673 6.547,674 7.408,675 8.284,676 9.15,677 10.027,678 10.896,679 11.773,680 14.3,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,716 2,718 42,719 17,720 1,721 26,723 44,724 16,725 13,726 3,727 3,729 3,730 4,741 13,742 3,753 1,754 1,757 18,758 8,759 5,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 1,817 1,818 2,829 4.8,834 2,836 12.667,837 8.017,838 5.417,839 2.094,840 3.404,841 1.48,842 0.988,843 4.758,844 10.499,845 3.57,846 4.22,847 4.834,848 5.43,849 6.019,850 6.249,851 6.532,852 6.847,853 7.273,854 7.35,855 0.857,856 38,857 8.757,859 3.602,860 7.806,861 16.397,863 12.776,865 2.306,866 55.333,870 153.024,871 95.769,872 134.162,874 22,877 95.769,878 175.024,879 134.162,880 21.766,881 2.106,882 103.699,883 80.138,884 51.765,885 4.227,886 141.253,888 153.024,889 229.93,890 22,893 154.74,894 22,897 13.052,898 146.796,899 68.367,901 153.024,902 156.161,903 95.769,906 153.024,907 27.05,908 68.719,909 18.011,910 138.151,911 153.024,912 156.161,913 95.769,915 0.577,916 0.346,917 0.187,918 0.103,919 17,920 8,921 0.114,922 5,923 1,924 1.125,925 3.591,926 190.566,927 0.125,928 16,929 110.039,933 16.392,934 6.967,935 3.565,936 1.108,937 156.161,938 9.133,939 12.27,943 3.679,945 83.805,946 404.955,947 34.5,956 42.567,957 47.9,958 0.309,959 0.7,960 0.826,961 0.887,962 0.905,963 0.932,964 4.79,965 1.008,966 5.659,967 4.254,968 4.29,969 4.905,970 1.573,971 6.457,972 4.173,973 6.015,974 0.805,975 7.213,976 2.565,977 3.892,978 4.808,980 7.322,981 3.74,982 7.334,983 0.656,984 8.86,985 1.761,986 5.878,987 7.19,988 1.27,989 10.384,990 5.671,991 8.69,992 0.332,993 10.561,994 1.223,995 6.256,996 7.878,998 12.037,999 6.014,1000 10.074,1001 0.021,1002 12.296,1003 0.463,1004 7.722,1005 9.755,1006 1.022,1007 14.625,1008 7.441,1009 11.478,1010 -0.407,1011 14.054,1012 0.049,1013 8.471,1014 10.833,1016 16.631,1017 8.155,1018 12.897,1019 -0.471,1020 15.83,1021 -0.812,1022 9.723,1023 12.494,1024 0.818,1025 19.044,1026 9.373,1027 3.079,1028 -0.706,1029 17.62,1030 -1.154,1031 10.658,1032 13.775,1034 21.212,1035 10.27,1036 2.905,1037 10.175,1038 19.421,1039 -1.804,1040 11.82,1041 15.338,1042 0.65,1043 23.557,1044 11.398,1045 2.41,1046 9.172,1047 21.232,1048 4.491,1049 12.844,1050 16.724,1052 25.797,1053 12.384,1054 2.235,1055 6.885,1056 23.051,1057 3.911,1058 13.97,1059 18.244,1060 0.511,1061 28.116,1062 13.474,1063 2.044,1064 6.487,1065 24.877,1066 3.232,1067 15.038,1068 19.683,1070 30.39,1071 14.502,1072 1.965,1073 5.803,1074 26.708,1075 2.856,1076 16.151,1077 21.185,1078 0.399,1079 32.7,1080 15.578,1081 1.594,1082 5.756,1083 28.545,1084 2.811,1085 17.24,1086 22.651,1088 34.99,1089 16.626,1090 6195,1091 10846,1092 17.107,1093 27.512,1094 38.055,1095 38.974,1096 39.894,1097 38.009,1098 38.109,1099 51.144,1100 4.755,1101 109.191,1102 35.709,1103 5.378,1104 5.197,1105 6.071,1106 5.112,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.951,1112 12.642,1113 1.464,1114 1.499,1115 1.534,1116 1.462,1117 1.466,1118 1.967,1119 0.183,1120 4.2,1121 1.373,1122 4.054,1123 4.097,1124 4.029,1125 3.926,1126 5.325,1127 3.945,1128 3.923,1129 3.943,1130 3.876,1131 3.833,1132 4.983,1133 3.841,1134 3.512,1135 3.585,1136 3.448,1137 3.295,1138 4.919,1139 3.326,1140 3.327,1141 3.376,1142 3.191,1143 3.056,1144 4.82,1145 3.077,1146 3.208,1147 3.292,1148 3.05,1149 2.967,1150 4.602,1151 2.973,1152 3.119,1153 3.225,1154 3.002,1155 2.862,1156 4.279,1157 2.852,1158 3.107,1159 3.207,1160 2.882,1161 2.812,1162 4.138,1163 2.847,1164 2.796,1165 2.882,1166 2.679,1167 2.597,1168 4.006,1169 2.603,1170 0.175,1171 0.123,1172 0.25,1173 0.155,1174 0.118,1175 4.541,1176 0.173,1177 3.197,1178 0.033,1179 6.502,1180 0.391,1181 4.037,1182 0.113,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.951,1188 1.969,1189 1.935,1190 2.032,1191 2.121,1192 1.171,1193 2.095,1194 1.887,1195 1.868,1196 1.97,1197 2.001,1198 1.061,1199 1.994,1200 1.423,1201 1.358,1202 1.605,1203 1.682,1204 0.683,1205 1.659,1206 1.244,1207 1.187,1208 1.582,1209 1.568,1210 0.584,1211 1.571,1212 1.167,1213 1.087,1214 1.525,1215 1.465,1216 0.549,1217 1.488,1218 1.107,1219 1.017,1220 1.391,1221 1.385,1222 0.356,1223 1.394,1224 0.997,1225 0.899,1226 1.266,1227 1.361,1228 0.117,1229 1.352,1230 0.765,1231 0.69,1232 1.053,1233 1.013,1235 1.024,1236 3.97,1238 5.283,1240 6.801,1242 8.416,1244 10.08,1246 3.256,1250 11.454,1252 0.531,1253 3.281,1254 10.621,1262 26.719,1263 69.909,1264 158.503,1265 186.968,1266 200.968,1267 204.968,1268 210.968,1269 32.402,1270 7.095,1271 121.2,1272 121.2,1273 18,1274 12.312,1275 4.17,1276 3.248,1277 39.368,1278 89,1279 76,1280 0.221,1281 167.407,1282 278.04,1283 400.233,1284 11138,1286 17.104,1287 0.713,1288 0.559,1289 17.104,1290 13.407,1291 11.601,1292 0.446,1293 0.278,1294 7.071,1295 10.957,1296 6.864,1297 5.752,1298 11.601,1299 7.239,1300 10.25,1301 0.285,1302 0.141,1303 10.25,1304 5.094,1305 8.663,1306 0.184,1307 0.076,1308 8.663,1309 3.569,1310 7.169,1311 0.119,1312 0.039,1313 7.169,1314 2.366,1315 5.751,1316 0.076,1317 0.02,1318 5.751,1319 1.552,1320 0.347,1321 74.138,1322 0.242,1323 23.447,1324 0.602,1325 124,1326 399.364,1327 139.637,1328 383.444,1329 527.42,1330 360,1331 145,1332 392.57,1333 160.168,1334 400.067,1335 579.15,1336 372,1337 6.456}
{0 CHEMBL32754,1 1.693,2 10.846,3 1.343,4 1.804,5 99.01,6 7.748,7 0.607,8 3.954,9 4.079,10 3.538,11 3.363,12 5.172,13 3.395,14 4.434,15 4.609,16 3.867,17 3.699,18 5.611,19 3.721,20 4.526,21 4.675,22 3.977,23 3.849,24 5.68,25 3.862,26 4.698,27 4.871,28 3.97,29 3.909,30 5.897,31 3.868,32 4.8,33 5.039,34 3.81,35 3.884,36 5.808,37 3.81,38 4.759,39 4.987,40 3.622,41 3.774,42 5.748,43 3.704,44 4.6,45 4.842,46 3.535,47 3.72,48 5.569,49 3.609,50 4.587,51 4.887,52 3.492,53 3.593,54 5.457,55 3.493,56 0.132,57 0.699,58 9.272,59 3.421,60 13.527,61 4.581,62 0.488,63 1.001,64 17.93,65 5.703,66 36.735,67 7.462,68 0.334,69 1.174,70 17.733,71 6.03,72 22.179,73 8.203,74 0.766,75 1.266,76 22.538,77 7.736,78 50.45,79 10.707,80 0.557,81 1.253,82 27.647,83 8.36,84 47.096,85 12.335,86 0.854,87 1.091,88 28.253,89 7.396,90 59.597,91 10.341,92 0.491,93 1.018,94 22.806,95 7.528,96 39.777,97 11.019,98 0.407,99 0.939,100 24.669,101 6.893,102 36.826,103 11.165,104 35,105 39,106 0.291,107 0.637,108 0.737,109 0.772,110 0.783,111 0.814,112 3.304,113 0.832,114 -2.41,115 -2.44,116 -2.39,119 37,124 3,125 1,139 3,140 2,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 1,169 2,170 9,172 3,173 3,175 3,178 3,180 1,182 3,185 1,187 2,191 1,192 4,193 3,195 3,196 5,197 1,198 3,200 2,201 1,204 1,205 1,207 1,210 2,211 1,212 1,214 1,215 1,218 1,221 2,224 1,229 2,233 2,234 6,238 1,239 1,240 1,241 2,243 1,246 1,259 5,260 5,262 2,263 2,265 3,270 3,273 928,274 17.643,275 17.643,276 17.643,277 17.643,278 17.643,279 15.582,280 26.006,281 10.188,282 18.458,283 13.619,284 13.619,285 13.619,286 13.619,287 13.619,288 10.281,289 36.344,290 4.574,291 14.644,292 3.83,293 1.814,294 1.235,295 1.028,296 0.968,297 0.788,298 3.985,300 1,301 1,302 1,303 594,304 3.082,307 224.95,311 116.889,314 1.42,315 26.45,318 1,319 0.83,320 1,321 0.8,323 1,324 1,325 0.8,326 58,327 282,328 4.541,329 3.36,330 6.53,331 4.046,332 3.087,333 4.491,334 0.86,335 10.298,336 2.96,337 4.421,338 3.118,339 6.501,340 4.016,341 3.056,342 4.105,343 0.86,344 10.172,345 2.931,346 3.772,347 2.7,348 5.324,349 3.361,350 2.418,351 3.234,352 0.86,353 6.912,354 2.278,355 3.553,356 2.555,357 5.253,358 3.169,359 2.237,360 2.872,361 0.657,362 6.595,363 2.078,364 3.428,365 2.541,366 5.19,367 2.972,368 2.061,369 2.811,371 6.118,372 1.886,373 3.368,374 2.181,375 5.062,376 2.968,377 2.04,378 2.691,380 5.802,381 1.867,382 3.355,383 2.047,384 4.97,385 2.88,386 1.96,387 2.604,389 5.752,390 1.8,391 2.456,392 1.78,393 3.874,394 2.103,395 1.199,396 1.438,398 2.868,399 1.075,400 2.285,401 1.154,402 3.709,403 1.942,404 1.006,405 1.269,407 2.565,408 0.939,409 1.689,410 1.058,411 3.116,412 1.405,413 0.539,414 0.585,415 1.038,416 0.461,417 1.599,418 0.916,419 2.859,420 1.336,421 0.468,422 0.525,423 0.703,424 0.406,425 1.576,426 0.874,427 2.737,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.315,434 0.33,435 2.707,436 0.928,437 0.019,438 0.024,439 0.04,440 0.017,441 0.976,442 -0.029,443 2.542,444 0.556,445 -0.356,446 -0.421,448 -0.741,449 -0.322,450 0.85,451 -0.299,452 2.378,453 0.46,454 -0.458,455 -0.584,457 -1.163,458 -0.418,459 11.9,460 0.458,461 0.622,462 0.024,463 37,464 1.423,465 19,466 0.731,467 18,468 0.692,469 18.251,470 0.702,471 28.9,472 0.628,473 28.344,474 1.09,475 7.714,476 0.297,477 4.836,478 0.186,479 0.193,481 0.378,485 1.051,486 1.458,487 0.791,488 1.187,489 1.184,490 0.953,491 1.296,492 0.806,493 0.779,494 0.703,495 0.83,496 0.655,497 1.156,498 1.368,499 0.94,500 1.165,501 0.997,502 1.024,503 0.684,504 1.178,505 1.062,506 1.303,507 0.739,508 1.284,509 0.93,510 1.03,511 1.023,512 1.145,513 0.857,514 1.109,515 1.709,516 0.772,517 1.328,518 0.824,519 1.373,520 0.986,521 0.738,522 0.999,523 1.012,524 1.15,525 0.777,526 1.157,527 0.586,528 0.885,529 0.619,530 0.825,531 0.597,532 0.734,533 6,534 0.206,535 2.889,536 2.063,537 2.022,538 0.986,539 0.303,540 0.342,541 0.377,542 0.198,543 7572,544 23334,545 2.014,546 43.5,548 14,550 1,551 5,555 1.691,556 1.857,557 3.369,558 2.634,559 1,560 1,564 77.894,565 1.693,566 3.71,567 4.289,568 4.496,569 4.556,570 4.735,571 2.786,572 4.239,573 4.675,574 3.517,575 1143.18,576 8.098,577 14284.8,579 1,582 254.084,583 1.502,584 4.615,585 0.214,586 0.011,587 0.074,588 0.048,589 0.052,590 0.03,591 0.011,592 0.014,593 0.015,594 0.008,595 0.477,596 0.17,597 1,598 0.998,599 127.217,600 -0.157,601 -0.197,602 0.031,603 -0.095,604 -0.248,605 0.008,606 -0.109,607 0.275,608 0.168,609 0.315,610 0.109,611 0.293,612 -0.188,613 -0.182,614 -0.073,615 -0.109,616 -0.162,617 -0.069,618 0.317,619 -0.081,620 -0.154,621 -0.269,622 0.177,623 -0.319,624 -0.047,625 -0.066,626 -0.052,627 -0.153,628 0.016,629 -0.109,630 -0.377,631 0.116,632 -0.287,633 0.127,634 -0.351,635 -0.037,636 0.06,637 -0.062,638 -0.052,639 -0.111,640 0.001,641 -0.114,642 0.109,643 -0.053,644 0.406,645 0.157,646 0.17,647 0.328,648 1.573,649 1.952,650 0.615,651 21.053,652 1.017,653 1.142,654 1.177,655 1.386,656 0.646,657 3.367,658 3.689,659 3.97,660 4.234,661 4.466,662 4.477,663 4.489,664 4.511,665 4.654,666 4.691,667 6.26,668 0.63,669 356.43,670 3.367,671 4.905,672 5.759,673 6.642,674 7.514,675 8.4,676 9.276,677 10.162,678 11.039,679 11.925,680 13,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 3,718 46,719 17,720 1,721 28,723 48,724 17,725 13,726 4,727 2,729 3,730 4,741 13,742 4,753 1,754 1,757 20,758 9,759 5,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 1,817 1,818 3,829 6.5,834 3,836 14,837 9.1,838 5.944,839 2.254,840 3.437,841 1.474,842 0.971,843 5.489,844 10.692,845 3.624,846 4.277,847 4.903,848 5.509,849 6.087,850 6.331,851 6.605,852 6.901,853 7.321,854 7.422,855 1,856 43,857 9.492,859 3.885,860 7.827,861 17.706,863 13.668,865 2.327,866 60.5,870 176.567,871 102.419,872 134.162,874 33,877 102.419,878 209.566,879 134.162,880 32.649,881 2.106,882 94.223,883 80.138,884 68.008,885 4.227,886 164.795,888 176.567,889 236.581,890 33,893 178.282,894 33,897 13.052,898 153.446,899 68.367,901 176.567,902 167.161,903 102.419,906 176.567,907 32.294,908 70.125,909 18.011,910 149.151,911 176.567,912 167.161,913 102.419,915 0.574,916 0.353,917 0.198,918 0.112,919 18,920 9,921 0.125,922 6,923 1,924 1.125,925 3.689,926 215.407,927 0.125,928 16,929 114.211,933 18.29,934 7.803,935 3.865,936 1.068,937 167.161,938 7.065,939 12.293,943 3.919,945 83.805,946 446.147,947 36.5,956 46.778,957 52.524,958 0.307,959 0.672,960 0.776,961 0.814,962 0.825,963 0.857,964 4.854,965 1.199,966 5.753,967 5.752,968 4.369,969 4.963,970 1.841,971 6.575,972 4.24,973 6.083,974 1.006,975 7.322,976 2.868,977 4.007,978 4.913,980 7.496,981 3.848,982 7.411,983 0.539,984 8.986,985 2.565,986 5.979,987 7.259,988 1.538,989 10.579,990 5.757,991 8.776,992 0.468,993 10.705,994 1.038,995 6.399,996 7.989,998 12.291,999 6.147,1000 10.169,1001 0.396,1002 12.458,1003 0.703,1004 7.854,1005 9.84,1006 1.278,1007 14.905,1008 7.557,1009 11.582,1010 0.019,1011 14.235,1012 0.603,1013 8.643,1014 10.948,1016 16.966,1017 8.314,1018 13.011,1019 -0.356,1020 16.03,1021 0.04,1022 9.894,1023 12.594,1024 1.053,1025 19.409,1026 9.527,1027 3.087,1028 -0.458,1029 17.84,1030 -0.741,1031 10.863,1032 13.894,1034 21.624,1035 10.46,1036 3.056,1037 10.298,1038 19.662,1039 -1.163,1040 12.032,1041 15.449,1042 0.858,1043 23.999,1044 11.593,1045 2.418,1046 10.172,1047 21.493,1048 4.491,1049 13.085,1050 16.844,1052 26.277,1053 12.606,1054 2.237,1055 6.912,1056 23.332,1057 4.105,1058 14.223,1059 18.359,1060 0.691,1061 28.625,1062 13.707,1063 2.061,1064 6.595,1065 25.177,1066 3.234,1067 15.313,1068 19.801,1070 30.931,1071 14.757,1072 2.04,1073 6.118,1074 27.028,1075 2.872,1076 16.44,1077 21.299,1078 0.549,1079 33.266,1080 15.845,1081 1.96,1082 5.802,1083 28.884,1084 2.811,1085 17.547,1086 22.764,1088 35.584,1089 16.911,1090 7482,1091 13261,1092 18.205,1093 29.728,1094 40.826,1095 42.319,1096 43.49,1097 40.835,1098 40.974,1099 54.2,1100 6.475,1101 118.933,1102 38.082,1103 5.385,1104 5.36,1105 6.083,1106 5.121,1107 5.087,1108 7.491,1109 1.72,1110 17.219,1111 4.96,1112 14.842,1113 1.458,1114 1.511,1115 1.553,1116 1.458,1117 1.463,1118 1.936,1119 0.231,1120 4.248,1121 1.36,1122 4.056,1123 4.098,1124 4.031,1125 3.926,1126 5.325,1127 3.947,1128 3.934,1129 3.947,1130 3.898,1131 3.834,1132 4.983,1133 3.847,1134 3.515,1135 3.587,1136 3.451,1137 3.296,1138 4.959,1139 3.327,1140 3.322,1141 3.375,1142 3.192,1143 3.069,1144 4.822,1145 3.089,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.173,1153 3.265,1154 3.003,1155 2.889,1156 4.577,1157 2.891,1158 3.109,1159 3.223,1160 2.981,1161 2.824,1162 4.264,1163 2.849,1164 3.067,1165 3.167,1166 2.825,1167 2.808,1168 4.052,1169 2.803,1170 0.162,1171 0.12,1172 0.233,1173 0.145,1174 0.11,1175 4.541,1176 0.16,1177 3.36,1178 0.031,1179 6.53,1180 0.368,1181 4.046,1182 0.106,1183 3.087,1184 4.491,1185 0.86,1186 10.298,1187 2.96,1188 1.968,1189 1.935,1190 2.026,1191 2.121,1192 1.173,1193 2.094,1194 1.882,1195 1.869,1196 1.955,1197 2.007,1198 1.062,1199 1.991,1200 1.424,1201 1.36,1202 1.611,1203 1.685,1204 0.685,1205 1.662,1206 1.246,1207 1.187,1208 1.59,1209 1.559,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.57,1215 1.558,1216 0.577,1217 1.562,1218 1.138,1219 1.046,1220 1.5,1221 1.442,1222 0.533,1223 1.465,1224 1.06,1225 0.963,1226 1.369,1227 1.379,1228 0.35,1229 1.371,1230 0.996,1231 0.898,1232 1.266,1233 1.328,1234 0.09,1235 1.343,1236 4.043,1238 5.361,1240 6.889,1242 8.517,1244 10.198,1246 4.779,1250 11.493,1252 0.444,1253 3.276,1254 16.163,1262 28.96,1263 77.894,1264 170.646,1265 197.29,1266 206.8,1267 209.555,1268 217.819,1269 39.076,1270 7.255,1271 130.43,1272 130.43,1273 18,1274 12.458,1275 4.17,1276 3.248,1277 44.394,1278 100,1279 90,1280 0.222,1281 180.995,1282 304.13,1283 433.389,1284 13420,1286 18.681,1287 0.719,1288 0.567,1289 18.681,1290 14.738,1291 12.55,1292 0.448,1293 0.277,1294 7.558,1295 11.753,1296 7.308,1297 6.137,1298 12.55,1299 7.769,1300 10.98,1301 0.282,1302 0.139,1303 10.98,1304 5.426,1305 9.384,1306 0.18,1307 0.075,1308 9.384,1309 3.884,1310 7.892,1311 0.116,1312 0.038,1313 7.892,1314 2.591,1315 6.496,1316 0.076,1317 0.02,1318 6.496,1319 1.738,1320 0.349,1321 80.946,1322 0.234,1323 25.006,1324 0.61,1325 134,1326 455.099,1327 152.516,1328 429.648,1329 588.37,1330 404,1331 158,1332 434.115,1333 176.158,1334 441.537,1335 640.19,1336 409,1337 5.921}
{0 CHEMBL32769,1 1.664,2 10.875,3 1.359,4 1.848,5 92.547,6 7.771,7 0.654,8 3.863,9 3.993,10 3.452,11 3.303,12 5.079,13 3.327,14 4.332,15 4.506,16 3.782,17 3.645,18 5.516,19 3.654,20 4.456,21 4.621,22 3.865,23 3.773,24 5.625,25 3.765,26 4.574,27 4.781,28 3.754,29 3.771,30 5.71,31 3.715,32 4.619,33 4.866,34 3.533,35 3.707,36 5.628,37 3.61,38 4.442,39 4.69,40 3.323,41 3.581,42 5.38,43 3.455,44 4.395,45 4.694,46 3.272,47 3.43,48 5.276,49 3.323,50 4.133,51 4.374,52 3.302,53 3.279,54 5.183,55 3.239,56 0.104,57 0.66,58 8.34,59 3.08,60 12.572,61 4.136,62 0.373,63 0.954,64 15.571,65 5.266,66 30.611,67 6.927,68 0.345,69 1.106,70 16.655,71 5.628,72 23.764,73 7.87,74 0.382,75 1.134,76 20.204,77 6.798,78 39.995,79 9.596,80 0.588,81 1.061,82 23.667,83 6.905,84 47.804,85 10.03,86 0.339,87 0.912,88 19.086,89 6.237,90 32.376,91 9.312,92 0.359,93 0.805,94 20.226,95 5.662,96 35.231,97 8.965,98 0.286,99 0.675,100 14.222,101 4.084,102 23.93,103 6.137,104 21,105 36,106 0.291,107 0.66,108 0.779,109 0.837,110 0.846,111 0.854,112 3.228,113 0.835,114 -2.9,115 -2.91,116 -2.81,119 38.1,124 2,125 1,139 4,140 2,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 4,169 2,170 5,172 3,173 3,175 3,178 2,180 1,181 1,182 7,185 1,187 4,189 1,191 1,192 1,193 2,195 3,196 3,197 1,198 2,200 2,201 1,204 1,205 1,207 1,210 3,211 1,212 1,214 1,215 3,218 1,221 2,224 1,229 3,234 4,238 1,239 1,240 1,241 1,243 1,245 1,246 6,251 2,256 2,259 1,260 3,265 2,270 2,273 754,274 16.273,275 16.273,276 16.273,277 16.273,278 16.273,279 14.213,280 23.269,281 9.449,282 16.91,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.461,289 32.596,290 4.317,291 13.546,292 3.728,293 1.618,294 0.941,295 0.607,296 0.56,297 0.512,298 3.91,300 1,301 1,302 1,303 554,304 2.828,307 207.503,311 109.017,314 1.563,315 22.044,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 53,327 261,328 4.541,329 3.212,330 6.502,331 4.036,332 3.079,333 4.491,334 0.86,335 10.175,336 2.95,337 4.265,338 3.12,339 6.165,340 3.852,341 2.899,342 3.91,343 0.86,344 9.125,345 2.763,346 3.782,347 2.71,348 5.367,349 3.392,350 2.447,351 3.237,352 0.657,353 7.013,354 2.309,355 3.547,356 2.428,357 5.192,358 3.175,359 2.216,360 2.866,362 6.494,363 2.119,364 3.427,365 2.182,366 5.062,367 2.961,368 2.031,369 2.811,371 5.8,372 1.883,373 3.356,374 2.152,375 4.964,376 2.871,377 1.947,378 2.678,380 5.735,381 1.795,382 2.919,383 2.023,384 4.365,385 2.521,386 1.609,387 2.057,389 4.124,390 1.461,391 2.454,392 1.2,393 3.71,394 1.945,395 1.01,396 1.435,398 2.565,399 0.942,400 2.05,401 1.058,402 3.314,403 1.781,404 0.854,405 0.988,407 1.907,408 0.786,409 1.804,410 0.939,411 3.012,412 1.505,413 0.603,414 0.702,415 1.144,416 0.54,417 1.471,418 0.875,419 2.753,420 1.192,421 0.34,422 0.371,423 0.467,424 0.287,425 1.337,426 0.227,427 2.609,428 0.941,429 0.021,430 0.027,431 0.049,432 0.019,433 0.976,434 -0.026,435 2.51,436 0.519,437 -0.403,438 -0.495,439 -0.81,440 -0.368,441 0.828,442 -0.295,443 2.415,444 0.453,445 -0.468,446 -0.587,448 -1.156,449 -0.428,450 0.598,451 -0.402,452 2.232,453 0.179,454 -0.756,455 -0.91,457 -1.878,458 -0.692,459 11.067,460 0.461,461 0.571,462 0.024,463 35,464 1.458,465 18.5,466 0.771,467 16.5,468 0.688,469 15.345,470 0.639,471 26.133,472 0.622,473 25.122,474 1.047,475 7.213,476 0.301,477 4.388,478 0.183,479 0.163,481 0.361,485 1.069,486 1.389,487 0.794,488 1.098,489 1.22,490 0.907,491 1.183,492 0.855,493 0.782,494 0.781,495 0.753,496 0.732,497 0.972,498 1.343,499 0.951,500 1.168,501 0.859,502 1.067,503 0.908,504 1.158,505 1.076,506 1.276,507 0.812,508 1.228,509 1.172,510 0.816,511 1.185,512 0.94,513 1.122,514 1.059,515 0.778,516 1.093,517 1.129,518 1.21,519 0.957,520 1.24,521 0.728,522 0.716,523 0.762,524 0.733,525 0.703,526 0.74,527 1.002,528 0.952,529 0.816,530 0.841,531 0.769,532 0.794,533 5.5,534 0.169,535 2.667,536 1.5,537 1.791,538 0.535,539 0.303,540 0.342,541 0.176,542 0.192,543 6534,544 19640,545 2.04,546 42.9,548 12,550 1,551 5,555 1.664,556 1.895,557 3.403,558 2.702,559 1,560 1,562 1,564 69.909,565 1.664,566 3.774,567 4.452,568 4.785,569 4.833,570 4.88,571 2.872,572 4.168,573 4.559,574 3.539,575 976.854,576 7.841,577 11707.1,578 1,579 1,582 226.477,583 1.459,584 4.507,585 0.212,586 0.011,587 0.074,588 0.039,589 0.056,590 0.021,591 0.015,592 0.017,593 0.008,594 0.01,595 0.464,596 0.17,597 1,598 0.921,599 115.344,600 -0.169,601 -0.15,602 0.023,603 -0.04,604 -0.273,605 0.032,606 -0.036,607 0.239,608 0.14,609 0.235,610 0.139,611 0.212,612 -0.013,613 -0.204,614 -0.075,615 -0.145,616 -0.031,617 -0.122,618 0.001,619 -0.112,620 -0.153,621 -0.274,622 0.085,623 -0.258,624 -0.124,625 0.116,626 -0.183,627 0.027,628 -0.155,629 -0.082,630 -0.03,631 -0.149,632 -0.175,633 -0.188,634 -0.156,635 -0.211,636 0.041,637 0.13,638 0.277,639 0.237,640 0.114,641 0.302,642 -0.013,643 -0.005,644 0.179,645 0.139,646 0.125,647 0.195,648 1.557,649 1.874,650 0.667,651 20.153,652 1.014,653 1.14,654 1.673,655 2.799,656 0.655,657 3.296,658 3.611,659 3.871,660 4.111,661 4.331,662 4.317,663 4.344,664 4.407,665 4.522,666 4.522,667 6.312,668 0.636,669 326.4,670 3.296,671 4.828,672 5.673,673 6.547,674 7.407,675 8.282,676 9.146,677 10.021,678 10.889,679 11.764,680 14.3,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,716 2,718 42,719 17,720 1,721 26,723 44,724 16,725 13,726 3,727 3,729 3,730 4,741 13,742 3,753 1,754 1,757 18,758 8,759 5,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 1,817 1,818 2,829 4.8,834 2,836 12.667,837 8.017,838 5.417,839 2.094,840 3.345,841 1.472,842 0.988,843 4.758,844 10.44,845 3.57,846 4.22,847 4.834,848 5.43,849 6.016,850 6.238,851 6.526,852 6.852,853 7.262,854 7.322,855 1,856 38,857 8.756,859 3.601,860 7.806,861 16.397,863 12.776,865 2.306,866 55.333,870 153.024,871 95.769,872 134.162,874 22,877 95.769,878 175.024,879 134.162,880 21.766,881 2.106,882 103.699,883 80.138,884 51.765,885 4.227,886 141.253,888 153.024,889 229.93,890 22,893 154.74,894 22,897 13.052,898 146.796,899 68.367,901 153.024,902 156.161,903 95.769,906 153.024,907 27.05,908 68.719,909 18.011,910 138.151,911 153.024,912 156.161,913 95.769,915 0.577,916 0.347,917 0.19,918 0.102,919 17,920 8,921 0.114,922 5,923 1,924 1.125,925 3.616,926 189.081,927 0.125,928 16,929 110.039,933 16.392,934 6.967,935 3.565,936 1.123,937 156.161,938 9.259,939 12.262,943 3.627,945 83.805,946 404.955,947 34.5,956 42.567,957 47.9,958 0.309,959 0.7,960 0.826,961 0.887,962 0.896,963 0.905,964 4.79,965 1.01,966 5.659,967 4.124,968 4.29,969 4.905,970 1.573,971 6.457,972 4.173,973 6.015,974 0.854,975 7.213,976 2.565,977 3.892,978 4.808,980 7.322,981 3.74,982 7.334,983 0.603,984 8.86,985 1.907,986 5.878,987 7.19,988 1.27,989 10.383,990 5.669,991 8.69,992 0.34,993 10.561,994 1.144,995 6.256,996 7.878,998 12.036,999 6.007,1000 10.074,1001 0.021,1002 12.296,1003 0.467,1004 7.722,1005 9.755,1006 1.022,1007 14.621,1008 7.431,1009 11.478,1010 -0.403,1011 14.054,1012 0.049,1013 8.471,1014 10.833,1016 16.626,1017 8.136,1018 12.897,1019 -0.468,1020 15.83,1021 -0.81,1022 9.723,1023 12.494,1024 0.818,1025 19.037,1026 9.35,1027 3.079,1028 -0.756,1029 17.619,1030 -1.156,1031 10.657,1032 13.775,1034 21.203,1035 10.238,1036 2.899,1037 10.175,1038 19.421,1039 -1.878,1040 11.818,1041 15.338,1042 0.65,1043 23.546,1044 11.363,1045 2.447,1046 9.125,1047 21.231,1048 4.491,1049 12.842,1050 16.724,1052 25.786,1053 12.34,1054 2.216,1055 7.013,1056 23.05,1057 3.91,1058 13.967,1059 18.244,1060 0.511,1061 28.104,1062 13.427,1063 2.031,1064 6.494,1065 24.875,1066 3.237,1067 15.034,1068 19.683,1070 30.378,1071 14.449,1072 1.947,1073 5.8,1074 26.706,1075 2.866,1076 16.146,1077 21.185,1078 0.399,1079 32.687,1080 15.521,1081 1.609,1082 5.735,1083 28.542,1084 2.811,1085 17.234,1086 22.651,1088 34.978,1089 16.565,1090 6403,1091 11222,1092 17.107,1093 27.512,1094 38.06,1095 38.971,1096 39.921,1097 38.009,1098 38.11,1099 51.144,1100 4.755,1101 109.197,1102 35.71,1103 5.369,1104 5.212,1105 6.056,1106 5.111,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.95,1112 12.74,1113 1.464,1114 1.499,1115 1.535,1116 1.462,1117 1.466,1118 1.967,1119 0.183,1120 4.2,1121 1.373,1122 4.054,1123 4.097,1124 4.029,1125 3.926,1126 5.325,1127 3.945,1128 3.923,1129 3.942,1130 3.876,1131 3.833,1132 4.983,1133 3.84,1134 3.52,1135 3.59,1136 3.455,1137 3.298,1138 4.933,1139 3.33,1140 3.308,1141 3.369,1142 3.184,1143 3.073,1144 4.823,1145 3.092,1146 3.247,1147 3.314,1148 3.051,1149 2.952,1150 4.496,1151 2.96,1152 3.11,1153 3.225,1154 3.003,1155 2.831,1156 4.368,1157 2.851,1158 3.074,1159 3.174,1160 2.887,1161 2.807,1162 4.196,1163 2.817,1164 2.786,1165 2.867,1166 2.633,1167 2.629,1168 3.99,1169 2.612,1170 0.175,1171 0.124,1172 0.25,1173 0.155,1174 0.118,1175 4.541,1176 0.173,1177 3.212,1178 0.033,1179 6.502,1180 0.391,1181 4.036,1182 0.113,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.95,1188 1.969,1189 1.935,1190 2.035,1191 2.121,1192 1.17,1193 2.095,1194 1.887,1195 1.868,1196 1.971,1197 2.001,1198 1.061,1199 1.994,1200 1.426,1201 1.364,1202 1.616,1203 1.69,1204 0.687,1205 1.667,1206 1.242,1207 1.182,1208 1.576,1209 1.527,1210 0.574,1211 1.54,1212 1.191,1213 1.115,1214 1.521,1215 1.521,1216 0.542,1217 1.531,1218 1.054,1219 0.958,1220 1.358,1221 1.381,1222 0.348,1223 1.369,1224 0.995,1225 0.897,1226 1.265,1227 1.327,1228 0.153,1229 1.337,1230 0.798,1231 0.726,1232 1.085,1233 1.003,1235 1.031,1236 3.97,1238 5.283,1240 6.801,1242 8.416,1244 10.079,1246 3.215,1250 11.442,1252 0.587,1253 3.282,1254 10.535,1262 26.719,1263 69.909,1264 158.503,1265 186.968,1266 200.968,1267 202.968,1268 204.968,1269 32.304,1270 7.095,1271 121.2,1272 121.2,1273 18,1274 12.305,1275 4.17,1276 3.248,1277 39.521,1278 93,1279 82,1280 0.212,1281 167.407,1282 278.04,1283 400.233,1284 11138,1286 17.104,1287 0.713,1288 0.559,1289 17.104,1290 13.407,1291 11.601,1292 0.446,1293 0.278,1294 7.071,1295 10.962,1296 6.863,1297 5.755,1298 11.601,1299 7.239,1300 10.25,1301 0.285,1302 0.142,1303 10.25,1304 5.105,1305 8.647,1306 0.184,1307 0.075,1308 8.647,1309 3.543,1310 7.228,1311 0.12,1312 0.039,1313 7.228,1314 2.344,1315 5.784,1316 0.077,1317 0.021,1318 5.784,1319 1.569,1320 0.337,1321 74.138,1322 0.242,1323 23.613,1324 0.567,1325 124,1326 399.364,1327 139.637,1328 383.542,1329 527.5,1330 360,1331 145,1332 392.57,1333 160.61,1334 400.284,1335 580.16,1336 372,1337 5.824}
{0 CHEMBL328897,1 1.74,2 10.893,3 3.316,4 10.996,5 111.696,6 8.078,7 0.567,8 4.025,9 4.143,10 3.647,11 3.478,12 5.216,13 3.489,14 4.524,15 4.7,16 4.013,17 3.837,18 5.652,19 3.839,20 4.635,21 4.765,22 4.229,23 4.05,24 5.809,25 4.034,26 4.855,27 5.022,28 4.296,29 4.142,30 6.043,31 4.082,32 4.969,33 5.177,34 4.064,35 4.127,36 5.987,37 4.033,38 4.926,39 5.149,40 3.9,41 4.039,42 5.921,43 3.919,44 4.837,45 5.099,46 3.763,47 3.943,48 5.713,49 3.798,50 4.736,51 5.015,52 3.813,53 3.774,54 5.714,55 3.673,56 0.119,57 0.73,58 9.628,59 4.081,60 13.084,61 5.208,62 0.498,63 1.067,64 20.307,65 6.741,66 34.975,67 8.519,68 0.461,69 1.264,70 20.275,71 7.725,72 24.566,73 9.853,74 0.675,75 1.403,76 31.876,77 10.208,78 50.531,79 13.635,80 0.755,81 1.448,82 36.571,83 11.174,84 58.913,85 14.742,86 0.865,87 1.339,88 36.689,89 10.568,90 64.945,91 13.948,92 0.546,93 1.205,94 35.803,95 10.735,96 45.361,97 15.115,98 0.644,99 1.09,100 31.61,101 8.746,102 55.963,103 12.737,104 59,105 43,106 0.294,107 0.631,108 0.735,109 0.778,110 0.787,111 0.815,112 3.375,113 0.878,114 -3.42,115 -3.4,116 -3.25,119 38,124 4,125 1,139 4,140 2,141 5,143 1,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 8,172 3,173 3,175 1,178 6,180 1,181 2,182 4,189 2,192 3,193 10,195 1,196 1,197 1,198 5,200 2,201 3,204 5,205 1,206 1,207 1,212 2,215 2,218 2,220 2,221 2,223 1,224 1,226 2,229 6,231 2,234 3,246 11,248 1,249 1,251 2,256 2,260 3,273 1122,274 18.696,275 18.696,276 18.696,277 18.696,278 18.696,279 16.587,280 26.959,281 10.593,282 19.57,283 14.554,284 14.554,285 14.554,286 14.554,287 14.554,288 11.162,289 38.247,290 4.698,291 15.739,292 3.904,293 1.911,294 1.296,295 1.041,296 0.986,297 0.82,298 4.05,299 1,301 1,302 1,303 638,304 3.464,307 248.456,311 131.409,314 1.551,315 28.131,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 61.833,327 305,328 4.656,329 3.452,330 6.837,331 4.171,332 3.219,333 4.616,334 0.916,335 11.242,336 3.052,337 4.44,338 3.381,339 6.547,340 4.035,341 3.091,342 4.119,343 0.86,344 10.347,345 2.913,346 3.95,347 2.985,348 6.018,349 3.611,350 2.677,351 3.424,352 0.86,353 8.553,354 2.497,355 3.736,356 2.7,357 5.74,358 3.353,359 2.43,360 3.044,361 0.86,362 7.631,363 2.237,364 3.452,365 2.555,366 5.19,367 2.981,368 2.061,369 2.86,370 0.172,371 6.118,372 1.909,373 3.372,374 2.196,375 5.097,376 2.972,377 2.038,378 2.695,380 5.916,381 1.867,382 3.355,383 2.064,384 5.01,385 2.915,386 1.97,387 2.604,389 5.795,390 1.853,391 2.722,392 2.011,393 4.379,394 2.332,395 1.439,396 1.791,398 3.92,399 1.26,400 2.557,401 1.859,402 4.115,403 2.194,404 1.281,405 1.567,407 3.281,408 1.132,409 2.115,410 1.39,411 3.64,412 1.877,413 1.026,414 1.094,415 2.126,416 0.865,417 1.586,418 0.968,419 3.038,420 1.27,421 0.396,422 0.452,423 0.739,424 0.342,425 1.576,426 0.916,427 2.859,428 1.234,429 0.344,430 0.393,431 0.603,432 0.29,433 1.392,434 0.695,435 2.822,436 1.13,437 0.263,438 0.299,439 0.374,440 0.223,441 1.196,442 0.24,443 2.662,444 0.738,445 -0.111,446 -0.137,448 -0.288,449 -0.083,450 0.97,451 0.1,452 2.495,453 0.536,454 -0.388,455 -0.491,457 -0.804,458 -0.353,459 13.214,460 0.472,461 0.784,462 0.028,463 38,464 1.357,465 19,466 0.679,467 19,468 0.679,469 23.252,470 0.83,471 31.186,472 0.624,473 30.667,474 1.095,475 7.904,476 0.282,477 5.484,478 0.196,479 0.266,481 0.409,485 0.966,486 1.452,487 0.665,488 1.103,489 1.082,490 0.944,491 1.264,492 0.73,493 0.657,494 0.559,495 0.786,496 0.561,497 0.93,498 1.303,499 0.859,500 1.024,501 0.864,502 0.974,503 0.717,504 1.267,505 1.115,506 1.361,507 0.698,508 1.232,509 1.285,510 1.087,511 1.184,512 1.099,513 1.203,514 1.143,515 1.34,516 0.828,517 1.286,518 1.031,519 1.198,520 1.16,521 0.813,522 0.962,523 1.047,524 1.049,525 0.747,526 1.021,527 0.669,528 0.783,529 0.637,530 0.796,531 0.737,532 0.757,533 6.5,534 0.206,535 3.778,536 2.875,537 2.693,538 1.139,539 0.588,540 0.467,541 0.328,542 0.298,543 8806,544 27984,545 1.972,546 44,548 18,551 4,555 1.712,556 1.787,557 3.386,558 1.733,559 1,560 1,564 87.01,565 1.74,566 3.733,567 4.348,568 4.603,569 4.658,570 4.823,571 2.839,572 4.182,573 4.782,574 3.538,575 1337.23,576 8.32,577 17363.7,579 1,581 1,582 282.193,583 1.56,584 4.702,585 0.217,586 0.009,587 0.088,588 0.058,589 0.056,590 0.029,591 0.019,592 0.016,593 0.011,594 0.011,595 0.514,596 0.17,597 1,598 1.017,599 139.64,600 -0.118,601 -0.198,602 0.02,603 -0.09,604 -0.216,605 -0.006,606 -0.125,607 0.36,608 0.168,609 0.406,610 0.084,611 0.37,612 0.024,613 -0.108,614 0.012,615 0.008,616 -0.034,617 -0.027,618 0.219,619 -0.199,620 -0.029,621 -0.299,622 0.223,623 -0.238,624 -0.211,625 -0.12,626 -0.187,627 -0.098,628 -0.223,629 -0.163,630 -0.235,631 0.122,632 -0.257,633 -0.049,634 -0.245,635 -0.189,636 -0.024,637 -0.09,638 0.013,639 -0.019,640 0.027,641 0.036,642 0.172,643 0.095,644 0.308,645 0.159,646 0.192,647 0.263,648 1.552,649 2.488,650 0.571,651 23.653,652 1.015,653 1.136,654 2.194,655 4.812,656 0.662,657 3.434,658 3.784,659 4.094,660 4.369,661 4.575,662 4.625,663 4.663,664 4.7,665 4.787,666 4.804,667 6.358,668 0.636,669 403.91,670 3.434,671 4.99,672 5.861,673 6.76,674 7.646,675 8.548,676 9.438,677 10.34,678 11.232,679 12.134,680 10,684 2,686 1,690 2,694 2,695 4,696 2,700 8,702 17,711 2,714 1,716 3,717 1,718 50,719 17,720 2,721 30,723 52,724 19,725 14,726 8,727 4,729 3,730 4,731 1,741 14,742 5,754 1,757 22,758 8,759 4,760 9,761 1,764 5,769 0.667,770 3,776 1,781 3,785 1,802 2,806 4,807 1,810 28,811 2,816 1,818 3,821 1,828 1,829 6,834 3,836 15.667,837 10.243,838 6.361,839 2.488,840 3.358,841 1.455,842 0.965,843 6.222,844 10.736,845 3.676,846 4.344,847 4.99,848 5.605,849 6.166,850 6.458,851 6.751,852 7.055,853 7.43,854 7.573,855 1,856 50,857 10.246,859 4.217,860 7.813,861 19.178,863 14.965,865 2.313,866 64.778,868 1,869 1,870 211.88,871 115.174,872 102.49,873 39.149,874 33,877 115.174,878 284.028,879 102.49,880 41.046,881 2.106,882 103.699,883 33.571,884 66.014,885 4.227,886 211.88,887 39.149,888 211.88,889 217.663,890 33,891 39.149,893 211.88,894 33,897 6.149,898 177.943,899 72.72,901 211.88,902 135.489,903 154.322,906 211.88,907 36.223,908 82.075,910 171.514,911 211.88,912 135.489,913 154.322,915 0.583,916 0.369,917 0.208,918 0.11,919 20,920 11,921 0.115,922 6,923 1,924 1.125,925 3.735,926 244.409,927 0.125,928 16,929 126.606,933 20.575,934 8.467,935 4.019,936 1.195,937 135.489,938 7.46,939 8.187,943 4.274,945 65.794,946 501.691,947 38.5,956 50.767,957 56.801,958 0.308,959 0.661,960 0.77,961 0.816,962 0.825,963 0.855,964 4.929,965 1.439,966 5.878,967 5.795,968 4.466,969 5.03,970 1.938,971 6.744,972 4.32,973 6.172,974 1.281,975 7.48,976 3.92,977 4.205,978 5.047,979 0.325,980 7.758,981 3.993,982 7.514,983 1.026,984 9.18,985 3.281,986 6.12,987 7.344,988 1.656,989 10.869,990 5.867,991 8.893,992 0.396,993 10.933,994 2.126,995 6.635,996 8.14,997 0.393,998 12.664,999 6.306,1000 10.301,1001 0.344,1002 12.72,1003 0.739,1004 8.058,1005 9.962,1006 1.418,1007 15.314,1008 7.701,1009 11.73,1010 0.263,1011 14.53,1012 0.603,1013 8.921,1014 11.126,1015 0.384,1016 17.446,1017 8.489,1018 13.175,1019 -0.111,1020 16.357,1021 0.374,1022 10.164,1023 12.762,1024 1.207,1025 19.934,1026 9.699,1027 3.219,1028 -0.388,1029 18.198,1030 -0.288,1031 11.185,1032 14.106,1033 0.351,1034 22.213,1035 10.652,1036 3.091,1037 11.242,1038 20.049,1039 -0.804,1040 12.362,1041 15.666,1042 1.019,1043 24.641,1044 11.79,1045 2.677,1046 10.347,1047 21.909,1048 4.616,1049 13.453,1050 17.098,1051 0.312,1052 26.986,1053 12.819,1054 2.43,1055 8.553,1056 23.777,1057 4.119,1058 14.608,1059 18.628,1060 0.852,1061 29.394,1062 13.929,1063 2.061,1064 7.631,1065 25.651,1066 3.424,1067 15.731,1068 20.103,1069 0.273,1070 31.769,1071 14.994,1072 2.038,1073 6.118,1074 27.53,1075 3.044,1076 16.881,1077 21.622,1078 0.706,1079 34.171,1080 16.095,1081 1.97,1082 5.916,1083 29.413,1084 2.86,1085 18.019,1086 23.118,1087 0.236,1088 36.561,1089 17.177,1090 8767,1091 15760,1092 19.016,1093 33.103,1094 44.449,1095 46.198,1096 48.155,1097 44.489,1098 44.475,1099 57.915,1100 7.338,1101 133.29,1102 40.879,1103 5.494,1104 5.452,1105 6.379,1106 5.243,1107 5.219,1108 7.616,1109 1.776,1110 18.52,1111 5.052,1112 18.035,1113 1.482,1114 1.54,1115 1.605,1116 1.483,1117 1.483,1118 1.93,1119 0.245,1120 4.443,1121 1.363,1122 4.083,1123 4.112,1124 4.139,1125 4.001,1126 5.316,1127 4.008,1128 3.935,1129 3.951,1130 3.905,1131 3.828,1132 4.991,1133 3.842,1134 3.572,1135 3.633,1136 3.589,1137 3.376,1138 4.975,1139 3.399,1140 3.36,1141 3.432,1142 3.363,1143 3.123,1144 4.837,1145 3.144,1146 3.303,1147 3.355,1148 3.209,1149 3.006,1150 4.58,1151 3.026,1152 3.217,1153 3.293,1154 3.144,1155 2.949,1156 4.468,1157 2.953,1158 3.138,1159 3.236,1160 2.996,1161 2.909,1162 4.441,1163 2.911,1164 3.115,1165 3.209,1166 2.923,1167 2.866,1168 4.319,1169 2.856,1170 0.155,1171 0.115,1172 0.228,1173 0.139,1174 0.107,1175 4.656,1176 0.154,1177 3.452,1178 0.031,1179 6.837,1180 0.375,1181 4.171,1182 0.102,1183 3.219,1184 4.616,1185 0.916,1186 11.242,1187 3.052,1188 2.018,1189 1.997,1190 2.064,1191 2.123,1192 1.251,1193 2.11,1194 1.873,1195 1.86,1196 1.948,1197 2.01,1198 1.085,1199 1.99,1200 1.497,1201 1.438,1202 1.692,1203 1.737,1204 0.807,1205 1.725,1206 1.293,1207 1.221,1208 1.59,1209 1.559,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.57,1215 1.558,1216 0.573,1217 1.559,1218 1.172,1219 1.087,1220 1.531,1221 1.506,1222 0.561,1223 1.526,1224 1.114,1225 1.024,1226 1.497,1227 1.384,1228 0.534,1229 1.428,1230 1.048,1231 0.976,1232 1.295,1233 1.383,1234 0.324,1235 1.367,1236 4.111,1238 5.451,1240 7.002,1242 8.655,1244 10.36,1246 6.66,1247 6.599,1250 11.661,1252 0.511,1254 16.225,1257 2.006,1262 31.82,1263 87.01,1264 186.625,1265 217.399,1266 230.154,1267 232.909,1268 241.173,1269 49.776,1270 7.378,1271 108.75,1272 108.75,1273 18,1274 12.656,1275 4.17,1276 3.248,1277 49.69,1278 109,1279 100,1280 0.229,1281 201.719,1282 342.94,1283 483.953,1284 15078,1285 2,1286 20.422,1287 0.729,1288 0.603,1289 20.922,1290 16.871,1291 13.388,1292 0.446,1293 0.293,1294 8.226,1295 12.351,1296 7.859,1297 6.605,1298 13.676,1299 8.782,1300 11.941,1301 0.278,1302 0.152,1303 12.274,1304 6.517,1305 10.361,1306 0.176,1307 0.082,1308 10.789,1309 4.856,1310 8.971,1311 0.115,1312 0.043,1313 9.423,1314 3.347,1315 6.925,1316 0.072,1317 0.023,1318 7.207,1319 2.223,1320 0.357,1321 88.901,1322 0.229,1323 26.432,1324 0.636,1325 146,1326 480.97,1327 178.62,1328 485.358,1329 653.82,1330 454,1331 175,1332 458.288,1333 206.511,1334 478.474,1335 698.73,1336 442,1337 7.921}
{0 CHEMBL33038,1 1.477,2 9.19,3 1.746,4 3.048,5 83.855,6 7.578,7 0.739,8 3.724,9 3.87,10 3.304,11 3.235,12 4.908,13 3.231,14 4.186,15 4.378,16 3.647,17 3.597,18 5.342,19 3.571,20 4.373,21 4.569,22 3.679,23 3.724,24 5.445,25 3.67,26 4.489,27 4.737,28 3.571,29 3.686,30 5.55,31 3.588,32 4.454,33 4.728,34 3.406,35 3.607,36 5.425,37 3.497,38 4.289,39 4.537,40 3.269,41 3.514,42 5.25,43 3.393,44 4.258,45 4.547,46 3.079,47 3.363,48 5.209,49 3.235,50 3.968,51 4.251,52 2.967,53 3.114,54 4.921,55 3.01,56 0.039,57 0.616,58 7.402,59 2.664,60 10.021,61 3.793,62 0.206,63 0.922,64 12.989,65 4.587,66 20.31,67 6.53,68 0.118,69 1.068,70 15.692,71 5.464,72 15.94,73 7.994,74 0.248,75 1.082,76 19.452,77 6.546,78 35.678,79 9.763,80 0.3,81 0.996,82 19.764,83 5.939,84 32.645,85 9.069,86 0.11,87 0.863,88 15.839,89 5.588,90 20.767,91 8.332,92 0.242,93 0.784,94 16.639,95 4.745,96 31.631,97 7.388,98 0.099,99 0.595,100 12.282,101 3.899,102 16.033,103 6.06,104 10,105 32,106 0.265,107 0.637,108 0.756,109 0.831,110 0.844,111 0.844,112 3.103,113 0.857,114 -3.89,115 -3.85,116 -3.65,119 40.5,124 1,125 1,139 6,140 2,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 7,169 2,170 5,172 3,173 3,175 1,178 6,180 1,181 1,182 6,187 1,189 3,191 1,192 1,193 2,195 3,196 3,197 1,198 1,200 2,201 1,204 1,205 1,206 2,207 2,209 1,210 1,212 1,215 3,218 1,221 2,229 4,234 4,236 1,237 1,239 1,241 3,243 1,246 5,251 2,254 1,256 2,260 4,265 3,270 3,273 537,274 14.085,275 14.085,276 14.085,277 14.085,278 14.085,279 12.022,280 16.551,281 8.349,282 14.421,283 11.366,284 11.366,285 11.366,286 11.366,287 11.366,288 8.328,289 23.229,290 4.005,291 11.921,292 3.733,293 1.663,294 1.001,295 0.581,296 0.507,297 0.507,298 3.783,300 1,301 1,302 1,303 415,304 2.646,307 171.164,311 88.335,314 1.438,315 14.296,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 45,327 193,328 4.55,329 3.201,330 6.52,331 4.057,332 3.101,333 4.495,334 0.916,335 10.237,336 2.969,337 4.007,338 2.989,339 6.005,340 3.697,341 2.749,342 3.481,343 0.172,344 8.541,345 2.617,346 3.806,347 2.561,348 5.319,349 3.388,350 2.409,351 3.295,353 6.868,354 2.348,355 3.456,356 2.213,357 5.064,358 3.012,359 2.09,360 2.811,362 5.888,363 1.922,364 3.418,365 2.064,366 5.007,367 2.908,368 1.989,369 2.779,371 5.793,372 1.825,373 2.933,374 1.626,375 4.114,376 2.509,377 1.522,378 2.105,380 3.611,381 1.502,382 2.507,383 1.307,384 3.708,385 2.131,386 1.177,387 1.509,389 2.803,390 1.119,391 2.5,392 1.056,393 3.538,394 2,395 1,396 1.5,398 2.565,399 1,400 2.408,401 1,402 3.247,403 1.939,404 1,405 1.379,407 2.136,408 0.937,409 1.38,410 0.186,411 2.809,412 0.95,413 0.022,414 0.029,415 0.058,416 0.021,417 1.017,418 0.014,419 2.636,420 0.721,421 -0.242,422 -0.286,423 -0.574,424 -0.232,425 0.955,426 -0.299,427 2.495,428 0.467,429 -0.449,430 -0.578,431 -1.157,432 -0.41,433 0.577,434 -0.674,435 2.216,436 0.134,437 -0.815,438 -1.041,439 -2.09,440 -0.754,441 0.5,442 -0.756,443 1.776,444 0.069,445 -0.865,446 -1.143,448 -2.257,449 -0.824,450 0.416,451 -0.828,452 1.555,454 -1,455 -1.248,457 -2.347,458 -0.957,459 9.9,460 0.471,461 0.541,462 0.026,463 31.75,464 1.512,465 17.5,466 0.833,467 14.25,468 0.679,469 12.489,470 0.595,471 21.9,472 0.592,473 21.206,474 1.01,475 6.394,476 0.304,477 3.737,478 0.178,479 0.131,481 0.343,485 1.139,486 1.353,487 0.813,488 0.988,489 1.293,490 0.874,491 0.763,492 0.873,493 0.775,494 0.84,495 0.458,496 0.814,497 1.015,498 1.315,499 1.025,500 1.205,501 0.844,502 1.132,503 0.71,504 1.047,505 0.986,506 1.15,507 0.654,508 1.117,509 1.075,510 0.753,511 1.059,512 0.867,513 1.049,514 0.944,515 0.836,516 1.156,517 1.067,518 1.228,519 0.871,520 1.191,521 1.248,522 0.739,523 1.133,524 0.842,525 1.326,526 0.948,527 0.782,528 1.027,529 0.763,530 0.913,531 0.608,532 0.848,533 4.5,534 0.062,535 2.222,536 1.375,537 1.449,538 0.611,539 0.242,540 0.307,541 0.123,542 0.086,543 4395,544 11629,545 2.074,546 43.2,548 11,550 1,551 4,555 1.63,556 1.938,557 3.178,558 1.921,560 1,562 1,564 54.637,565 1.477,566 3.547,567 4.209,568 4.628,569 4.703,570 4.703,571 2.684,572 4.107,573 4.364,574 3.295,575 692.024,576 7.469,577 7259.58,578 1,579 1,581 1,582 192.75,583 1.418,584 4.322,585 0.196,586 0.009,587 0.069,588 0.043,589 0.054,590 0.027,591 0.012,592 0.019,593 0.008,594 0.008,595 0.444,596 0.5,597 1,598 0.61,599 94.684,600 -0.175,601 -0.15,602 0.024,603 0.011,604 -0.3,605 0.042,606 0.258,607 0.254,608 0.124,609 0.14,610 0.293,611 0.117,612 -0.084,613 -0.234,614 -0.13,615 -0.214,616 -0.075,617 -0.185,618 0.23,619 -0.078,620 -0.019,621 -0.17,622 0.24,623 -0.139,624 -0.043,625 0.191,626 -0.056,627 0.087,628 -0.093,629 0.026,630 -0.058,631 -0.218,632 -0.118,633 -0.206,634 -0.069,635 -0.177,636 -0.199,637 0.176,638 -0.111,639 0.103,640 -0.267,641 0.025,642 0.071,643 -0.157,644 0.251,645 0.088,646 0.255,647 0.179,648 1.53,649 1.889,650 0.762,651 15.741,652 1.001,653 1.137,654 2.663,655 7.092,656 0.671,657 3.178,658 3.497,659 3.738,660 3.989,661 4.22,662 4.22,663 4.263,664 4.357,665 4.369,666 4.317,667 5.349,668 0.642,669 280.37,670 3.178,671 4.71,672 5.549,673 6.422,674 7.279,675 8.156,676 9.02,677 9.9,678 10.768,679 11.65,680 16.2,684 2,686 1,690 3,694 2,695 7,696 3,700 4,702 17,711 2,714 1,718 37,719 17,720 1,721 23,723 39,724 15,725 13,726 1,727 5,729 3,730 4,741 13,742 2,753 1,754 1,757 16,758 6,759 4,760 6,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,810 21,811 2,816 1,821 1,836 10.833,837 6.8,838 4.583,839 1.944,840 3.235,841 1.478,842 1.017,843 3.585,844 9.999,845 3.481,846 4.127,847 4.73,848 5.338,849 5.935,850 6.16,851 6.504,852 6.875,853 7.231,854 7.257,855 1,856 32,857 7.673,859 3.189,860 7.714,861 14.56,863 11.615,865 2.214,866 46.5,870 141.253,871 90.865,872 119.275,877 90.865,878 141.253,879 119.275,880 8.396,881 2.106,882 122.652,883 62.128,884 22.402,885 4.227,886 129.482,888 141.253,889 210.14,893 142.969,897 13.052,898 145.016,899 50.357,901 141.253,902 119.275,903 90.865,906 141.253,907 16.563,908 77.426,910 116.151,911 141.253,912 119.275,913 90.865,915 0.583,916 0.335,917 0.182,918 0.1,919 16,920 7,921 0.077,922 3,923 1,924 1.125,925 3.35,926 160.028,927 0.125,928 16,929 88.239,933 13.587,934 5.542,935 2.879,936 1.221,937 119.275,938 13.917,939 12.363,943 2.658,945 65.794,946 351.393,947 31.5,956 37.029,957 42.066,958 0.283,959 0.681,960 0.808,961 0.888,962 0.903,963 0.903,964 4.694,965 1,966 5.533,967 2.803,968 4.174,969 4.812,970 0.918,971 6.323,972 4.081,973 5.915,974 1,975 7.079,976 2.565,977 3.761,978 4.62,979 0.325,980 7.154,981 3.607,982 7.222,983 0.022,984 8.723,985 2.136,986 5.746,987 7.07,988 0.671,989 10.248,990 5.563,991 8.565,992 -0.242,993 10.423,994 0.058,995 6.111,996 7.687,997 0.393,998 11.89,999 5.87,1000 9.937,1001 -0.449,1002 12.159,1003 -0.574,1004 7.59,1005 9.621,1006 0.533,1007 14.5,1008 7.322,1009 11.332,1010 -0.815,1011 13.92,1012 -1.157,1013 8.333,1014 10.66,1015 0.384,1016 16.503,1017 8.01,1018 12.745,1019 -0.865,1020 15.701,1021 -2.09,1022 9.595,1023 12.357,1024 0.438,1025 18.932,1026 9.242,1027 3.101,1028 -1,1029 17.495,1030 -2.257,1031 10.527,1032 13.624,1033 0.351,1034 21.103,1035 10.122,1036 2.749,1037 10.237,1038 19.301,1039 -2.347,1040 11.697,1041 15.21,1042 0.366,1043 23.461,1044 11.257,1045 2.409,1046 8.541,1047 21.117,1048 4.495,1049 12.723,1050 16.596,1051 0.312,1052 25.71,1053 12.233,1054 2.09,1055 6.868,1056 22.94,1057 3.481,1058 13.856,1059 18.132,1060 0.309,1061 28.042,1062 13.328,1063 1.989,1064 5.888,1065 24.77,1066 3.295,1067 14.928,1068 19.578,1069 0.273,1070 30.327,1071 14.353,1072 1.522,1073 5.793,1074 26.606,1075 2.811,1076 16.049,1077 21.094,1078 0.262,1079 32.65,1080 15.433,1081 1.177,1082 3.611,1083 28.446,1084 2.779,1085 17.145,1086 22.569,1087 0.236,1088 34.954,1089 16.483,1090 4267,1091 7067,1092 15.315,1093 24.841,1094 34.541,1095 34.074,1096 35.006,1097 34.145,1098 34.118,1099 46.765,1100 2.178,1101 96.999,1102 32.518,1103 5.371,1104 5.201,1105 6.322,1106 5.133,1107 5.101,1108 7.495,1109 1.605,1110 17.132,1111 4.969,1112 9.52,1113 1.502,1114 1.481,1115 1.522,1116 1.485,1117 1.483,1118 2.033,1119 0.095,1120 4.217,1121 1.414,1122 4.057,1123 4.101,1124 4.032,1125 3.93,1126 5.324,1127 3.949,1128 3.9,1129 3.936,1130 3.83,1131 3.831,1132 4.982,1133 3.828,1134 3.555,1135 3.63,1136 3.482,1137 3.344,1138 4.826,1139 3.37,1140 3.263,1141 3.354,1142 3.136,1143 3.048,1144 4.744,1145 3.057,1146 3.108,1147 3.223,1148 3.002,1149 2.814,1150 4.256,1151 2.849,1152 2.962,1153 3.053,1154 2.761,1155 2.788,1156 4.047,1157 2.769,1158 2.854,1159 2.925,1160 2.687,1161 2.735,1162 3.787,1163 2.715,1164 2.718,1165 2.82,1166 2.555,1167 2.474,1168 3.674,1169 2.489,1170 0.198,1171 0.139,1172 0.283,1173 0.176,1174 0.135,1175 4.55,1176 0.195,1177 3.201,1178 0.04,1179 6.52,1180 0.445,1181 4.057,1182 0.129,1183 3.101,1184 4.495,1185 0.916,1186 10.237,1187 2.969,1188 1.975,1189 1.94,1190 2.06,1191 2.125,1192 1.193,1193 2.1,1194 1.897,1195 1.866,1196 1.992,1197 1.992,1198 1.065,1199 2.003,1200 1.484,1201 1.413,1202 1.692,1203 1.729,1204 0.779,1205 1.721,1206 1.21,1207 1.131,1208 1.432,1209 1.48,1210 0.502,1211 1.478,1212 1.001,1213 0.911,1214 1.358,1215 1.376,1216 0.334,1217 1.356,1218 0.995,1219 0.897,1220 1.266,1221 1.222,1222 0.218,1223 1.275,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1229 1.107,1230 0.653,1231 0.563,1232 0.961,1233 0.965,1235 0.966,1236 3.85,1238 5.165,1240 6.681,1242 8.29,1244 9.947,1246 2.004,1250 11.461,1252 0.782,1257 2.095,1262 23.762,1263 54.637,1264 131.224,1265 155.73,1266 171.24,1267 173.995,1268 173.995,1269 24.351,1270 6.764,1271 93.95,1272 93.95,1273 18,1274 12.187,1275 4.17,1276 3.248,1277 32.25,1278 67,1279 64,1280 0.239,1281 149.822,1282 243.16,1283 357.326,1284 7075,1286 14.82,1287 0.706,1288 0.557,1289 14.82,1290 11.692,1291 10.131,1292 0.44,1293 0.286,1294 6.473,1295 9.76,1296 6.285,1297 5.27,1298 10.131,1299 6.571,1300 9.268,1301 0.29,1302 0.152,1303 9.268,1304 4.873,1305 7.533,1306 0.184,1307 0.08,1308 7.533,1309 3.287,1310 6.372,1311 0.12,1312 0.041,1313 6.372,1314 2.199,1315 5.062,1316 0.076,1317 0.022,1318 5.062,1319 1.449,1320 0.371,1321 63.294,1322 0.256,1323 20.796,1324 0.667,1325 110,1326 299.205,1327 120.241,1328 301.886,1329 421.3,1330 282,1331 128,1332 322.254,1333 138.352,1334 331.821,1335 480.53,1336 310,1337 6.854}
{0 CHEMBL331314,1 1.739,2 7.952,3 2.684,4 7.203,5 86.864,6 8.372,7 0.696,8 3.713,9 3.838,10 3.423,11 3.266,12 4.913,13 3.239,14 4.167,15 4.327,16 3.834,17 3.64,18 5.338,19 3.588,20 4.278,21 4.425,22 3.95,23 3.765,24 5.398,25 3.683,26 4.355,27 4.519,28 3.835,29 3.75,30 5.519,31 3.636,32 4.426,33 4.654,34 3.605,35 3.667,36 5.466,37 3.536,38 4.328,39 4.576,40 3.419,41 3.537,42 5.235,43 3.414,44 4.178,45 4.398,46 3.243,47 3.391,48 5.222,49 3.294,50 4.138,51 4.405,52 3.07,53 3.202,54 5.178,55 3.086,56 0.076,57 0.592,58 7.022,59 3.003,60 10.724,61 3.527,62 0.251,63 0.896,64 13.806,65 5.455,66 22.444,67 6.469,68 0.179,69 1.026,70 17.566,71 6.389,72 13.981,73 6.9,74 0.268,75 1.084,76 20.735,77 7.284,78 23.699,79 8.103,80 0.399,81 1.062,82 23.405,83 6.387,84 36.895,85 7.847,86 0.193,87 0.868,88 19.982,89 6.91,90 19.327,91 9.202,92 0.267,93 0.768,94 15.569,95 5.151,96 23.887,97 6.595,98 0.24,99 0.687,100 14.47,101 4.88,102 25.771,103 7.061,104 18,105 33,106 0.315,107 0.699,108 0.798,109 0.858,110 0.868,111 0.868,112 3.104,113 0.931,114 -3.98,115 -3.93,116 -3.73,119 38.9,120 1,124 1,139 4,140 2,141 2,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 5,169 1,170 3,172 3,173 4,175 4,178 5,180 1,182 5,187 2,189 5,191 1,193 4,195 1,196 2,197 3,198 3,200 4,201 2,204 2,205 1,207 2,210 1,212 4,215 4,218 2,221 3,226 3,229 5,231 2,233 1,234 3,239 1,241 2,243 1,245 1,246 3,248 1,249 1,251 3,256 3,260 1,262 1,263 1,265 3,270 3,273 522,274 14.093,275 14.093,276 14.093,277 14.093,278 14.093,279 12.062,280 14.138,281 8.143,282 14.668,283 11.277,284 11.277,285 11.277,286 11.277,287 11.277,288 8.215,289 15.709,290 3.77,291 12.178,292 3.431,293 1.309,294 0.764,295 0.431,296 0.375,297 0.375,298 3.78,300 1,301 1,302 1,303 355,304 2.449,306 39.666,307 116.66,310 77.813,314 1.202,315 16.747,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 45.5,327 167,328 4.701,329 4.595,330 6.876,331 4.217,332 3.263,333 4.676,334 2.95,335 11.411,336 3.119,337 4.203,338 3.431,339 6.161,340 3.768,341 2.846,342 3.811,343 0.86,344 9.11,345 2.613,346 3.822,347 2.997,348 5.686,349 3.36,350 2.445,351 3.308,353 7.468,354 2.229,355 3.44,356 2.482,357 5.143,358 2.963,359 2.048,360 2.816,362 6.06,363 1.867,364 3.241,365 2.266,366 4.964,367 2.757,368 1.845,369 2.516,371 5.56,372 1.677,373 2.917,374 1.998,375 4.43,376 2.481,377 1.551,378 2.089,380 4.16,381 1.44,382 2.868,383 1.722,384 4.152,385 2.419,386 1.451,387 2.002,389 3.291,390 1.381,391 2.513,392 1.593,393 3.621,394 2.087,395 1.158,396 1.517,398 2.973,399 1.065,400 1.737,401 0.942,402 3.036,403 1.409,404 0.531,405 0.621,407 0.92,408 0.461,409 1.276,410 0.662,411 2.727,412 0.908,413 0.038,414 0.045,415 0.084,416 0.032,417 1.143,418 0.401,419 2.677,420 0.735,421 -0.183,422 -0.23,423 -0.468,424 -0.169,425 0.911,426 0.016,427 2.492,428 0.488,429 -0.418,430 -0.529,431 -1.009,432 -0.374,433 0.627,434 -0.305,435 2.232,436 0.274,437 -0.63,438 -0.732,439 -1.417,440 -0.559,441 0.561,442 -0.479,443 2,444 0.117,445 -0.842,446 -1.096,448 -1.923,449 -0.79,450 0.258,451 -0.616,452 1.73,453 -0.12,454 -1.052,455 -1.408,457 -2.814,458 -0.972,459 10.167,460 0.484,461 0.575,462 0.027,463 30,464 1.429,465 16,466 0.762,467 14,468 0.667,469 14.876,470 0.708,471 22.233,472 0.618,473 19.786,474 0.942,475 5.957,476 0.284,477 4.14,478 0.197,479 0.177,481 0.393,485 1.121,486 1.129,487 0.758,488 0.817,489 1.318,490 0.786,491 0.865,492 0.793,493 0.697,494 0.771,495 0.56,496 0.705,497 1.118,498 1.273,499 1.193,500 1.212,501 0.937,502 0.98,503 0.887,504 1.277,505 1.497,506 1.536,507 0.677,508 1.301,509 1.268,510 0.947,511 1.444,512 1.146,513 1.51,514 1.115,515 0.704,516 1.021,517 0.814,518 1.037,519 0.529,520 0.985,521 1.208,522 1.017,523 1.061,524 1.018,525 1.091,526 1.113,527 0.635,528 1.073,529 0.635,530 0.903,531 0.718,532 1.061,533 4.5,534 0.012,535 2.444,536 2.292,537 1.312,538 0.73,539 0.432,540 0.282,541 0.18,542 0.09,543 4002,544 11829,545 2.045,546 41.7,547 3,548 7,551 5,555 1.635,556 1.881,557 3.004,558 2.845,559 1,560 1,562 1,564 62.601,565 1.739,566 3.861,567 4.406,568 4.739,569 4.795,570 4.795,571 2.439,572 4.202,573 4.367,574 3.13,575 657.311,576 7.495,577 6835.11,578 1,579 1,580 1,581 1,582 186.117,583 1.51,584 4.305,585 0.196,586 0.006,587 0.074,588 0.067,589 0.044,590 0.032,591 0.02,592 0.015,593 0.012,594 0.01,595 0.475,596 0.33,597 1,598 0.874,599 93.373,600 -0.203,601 0.029,602 0.033,603 0.115,604 -0.341,605 0.094,606 0.191,607 0.275,608 0.247,609 0.245,610 0.254,611 0.239,612 -0.148,613 -0.127,614 0.005,615 -0.022,616 -0.125,617 -0.026,618 0.066,619 -0.159,620 -0.258,621 -0.333,622 0.198,623 -0.334,624 -0.263,625 0.111,626 -0.309,627 -0.099,628 -0.418,629 -0.171,630 0.089,631 -0.17,632 0.108,633 -0.064,634 0.165,635 0.066,636 -0.134,637 -0.082,638 -0.22,639 -0.135,640 -0.14,641 -0.163,642 0.263,643 -0.242,644 0.101,645 -0.119,646 0.26,647 -0.074,648 1.505,649 1.936,650 0.714,651 14.027,652 1.009,653 1.13,654 2.753,655 7.577,656 0.693,657 3.178,658 3.526,659 3.829,660 4.127,661 4.29,662 4.369,663 4.431,664 4.533,665 4.522,666 4.419,667 4.942,668 0.657,669 301.41,670 3.178,671 4.727,672 5.595,673 6.494,674 7.378,675 8.284,676 9.176,677 10.085,678 10.981,679 11.892,680 13.9,684 2,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,716 1,718 36,719 16,720 1,721 23,723 38,724 14,725 12,726 2,727 4,729 3,730 4,734 1,741 12,742 2,753 1,754 1,757 15,758 5,759 5,760 7,761 1,764 5,769 0.667,770 1,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 2,810 21,811 2,818 1,819 1,829 2.8,834 1,836 11.167,837 6.983,838 4.639,839 1.846,840 3.19,841 1.466,842 1.02,843 3.758,844 10.042,845 3.466,846 4.155,847 4.805,848 5.452,849 5.961,850 6.277,851 6.646,852 7.066,853 7.251,854 7.452,855 1,856 34,857 7.673,859 3.208,860 7.746,861 14.5,863 11.623,865 2.246,866 47.167,870 117.711,871 109.45,872 116.151,874 11,876 32.22,877 77.23,878 128.711,879 116.151,880 19.708,882 103.699,883 35.286,884 41.46,885 4.227,886 149.931,888 117.711,889 193.381,890 11,891 32.22,893 117.711,894 11,897 30.347,898 129.463,899 33.571,900 32.22,901 117.711,902 127.151,903 109.45,906 117.711,907 51.836,908 57.613,909 16.786,910 110.365,911 117.711,912 127.151,913 109.45,915 0.585,916 0.357,917 0.202,918 0.102,919 17,920 8,921 0.079,922 3,923 1,924 1.133,925 3.245,926 165.397,927 0.133,928 15,929 92.239,930 1,933 14.195,934 5.559,935 2.575,936 1.455,937 110.365,938 7.824,939 8.196,940 3.242,943 4.32,945 82.58,946 354.312,947 31,956 36.331,957 40.697,958 0.336,959 0.747,960 0.852,961 0.917,962 0.927,963 0.927,964 4.7,965 1.158,966 5.602,967 3.291,968 4.205,969 4.84,970 2.99,971 6.457,972 4.058,973 5.948,974 0.531,975 7.191,976 2.973,977 3.892,978 4.808,980 7.434,981 3.686,982 7.286,983 0.038,984 8.879,985 0.92,986 5.838,987 7.168,988 5.034,989 10.567,990 5.567,991 8.664,992 -0.183,993 10.625,994 0.084,995 6.33,996 7.959,998 12.379,999 6.009,1000 10.073,1001 -0.418,1002 12.408,1003 -0.468,1004 7.779,1005 9.816,1006 7.185,1007 15.041,1008 7.407,1009 11.506,1010 -0.63,1011 14.217,1012 -1.009,1013 8.643,1014 11.001,1016 17.209,1017 8.229,1018 12.959,1019 -0.842,1020 16.046,1021 -1.417,1022 9.904,1023 12.659,1024 9.348,1025 19.711,1026 9.446,1027 3.263,1028 -1.052,1029 17.891,1030 -1.923,1031 10.937,1032 14.033,1034 22.029,1035 10.438,1036 2.846,1037 11.411,1038 19.749,1039 -2.814,1040 12.129,1041 15.61,1042 11.511,1043 24.478,1044 11.59,1045 2.445,1046 9.11,1047 21.617,1048 4.676,1049 13.236,1050 17.072,1052 26.86,1053 12.657,1054 2.048,1055 7.468,1056 23.494,1057 3.811,1058 14.407,1059 18.621,1060 13.675,1061 29.293,1062 13.789,1063 1.845,1064 6.06,1065 25.378,1066 3.308,1067 15.548,1068 20.124,1070 31.702,1071 14.89,1072 1.551,1073 5.56,1074 27.267,1075 2.816,1076 16.715,1077 21.663,1078 15.838,1079 34.131,1080 16.018,1081 1.451,1082 4.16,1083 29.162,1084 2.516,1085 17.871,1086 23.185,1088 36.552,1089 17.134,1090 3964,1091 6934,1092 15.027,1093 24.938,1094 34.622,1095 37.475,1096 36.488,1097 34.328,1098 34.349,1099 46.802,1100 7.62,1101 102.075,1102 31.768,1103 5.487,1104 6.595,1105 6.571,1106 5.374,1107 5.263,1108 7.676,1109 5.9,1110 18.575,1111 5.119,1112 11.016,1113 1.505,1114 1.629,1115 1.586,1116 1.493,1117 1.493,1118 2.035,1119 0.331,1120 4.438,1121 1.381,1122 4.11,1123 4.151,1124 4.187,1125 4.007,1126 5.319,1127 4.008,1128 3.876,1129 3.896,1130 3.894,1131 3.812,1132 4.981,1133 3.806,1134 3.441,1135 3.519,1136 3.497,1137 3.245,1138 4.861,1139 3.251,1140 3.249,1141 3.315,1142 3.122,1143 2.975,1144 4.731,1145 2.98,1146 3.131,1147 3.243,1148 3.062,1149 2.923,1150 4.384,1151 2.887,1152 3.015,1153 3.143,1154 2.973,1155 2.756,1156 4.108,1157 2.748,1158 2.864,1159 2.911,1160 2.776,1161 2.703,1162 3.86,1163 2.714,1164 2.751,1165 2.814,1166 2.587,1167 2.626,1168 3.655,1169 2.595,1170 0.204,1171 0.2,1172 0.299,1173 0.183,1174 0.142,1175 4.701,1176 0.203,1177 4.595,1178 0.128,1179 6.876,1180 0.496,1181 4.217,1182 0.136,1183 3.263,1184 4.676,1185 2.95,1186 11.411,1187 3.119,1188 1.876,1189 1.861,1190 1.963,1191 2.01,1192 1.084,1193 1.972,1194 1.826,1195 1.788,1196 1.886,1197 1.953,1198 1.011,1199 1.967,1200 1.533,1201 1.483,1202 1.679,1203 1.715,1204 0.715,1205 1.723,1206 1.197,1207 1.125,1208 1.573,1209 1.512,1210 0.574,1211 1.533,1212 1.084,1213 0.995,1214 1.31,1215 1.416,1216 0.353,1217 1.406,1218 0.945,1219 0.826,1220 1.263,1221 1.35,1222 0.179,1223 1.342,1224 0.866,1225 0.811,1226 1.125,1227 1.028,1228 0.08,1229 1.076,1230 0.771,1231 0.709,1232 0.996,1233 0.98,1235 1.015,1236 3.85,1238 5.187,1239 2.398,1240 6.725,1241 4.844,1242 8.357,1243 7.034,1244 10.037,1246 3.633,1250 11.569,1254 5.367,1255 1.561,1262 23.643,1263 62.601,1264 138.998,1265 158.608,1266 170.608,1267 172.608,1268 172.608,1269 26.084,1270 6.852,1271 102.84,1272 128.14,1273 17,1274 12.41,1275 4.087,1276 3.17,1277 32.082,1278 62,1279 55,1280 0.262,1281 151.49,1282 244.8,1283 361.395,1284 7590,1286 14.983,1287 0.713,1288 0.595,1289 15.336,1290 12.492,1291 10.097,1292 0.439,1293 0.31,1294 6.284,1295 9.244,1296 5.999,1297 5.027,1298 10.505,1299 7.136,1300 9.195,1301 0.279,1302 0.169,1303 9.837,1304 5.575,1305 7.833,1306 0.174,1307 0.097,1308 8.674,1309 4.352,1310 6.977,1311 0.114,1312 0.053,1313 7.882,1314 3.208,1315 5.065,1316 0.07,1317 0.03,1318 6,1319 2.137,1320 0.397,1321 67.579,1322 0.258,1323 20.415,1324 0.758,1325 112,1326 328.844,1327 149.55,1328 343.509,1329 479.36,1330 322,1331 134,1332 349.866,1333 168.922,1334 372.595,1335 547.36,1336 349,1337 5.633}
{0 CHEMBL331351,1 1.944,2 10.963,3 4.705,4 22.133,5 118.874,6 12.106,7 0.7,8 3.842,9 3.948,10 3.848,11 3.515,12 5.05,13 3.475,14 4.302,15 4.426,16 4.451,17 3.95,18 5.527,19 3.873,20 4.497,21 4.65,22 4.452,23 4.033,24 5.637,25 3.943,26 4.545,27 4.684,28 4.643,29 4.072,30 5.814,31 3.961,32 4.567,33 4.736,34 4.396,35 4.022,36 5.741,37 3.852,38 4.374,39 4.575,40 4.082,41 3.783,42 5.414,43 3.61,44 4.126,45 4.289,46 4.038,47 3.66,48 5.258,49 3.518,50 4.112,51 4.278,52 4.583,53 3.674,54 5.339,55 3.522,56 0.135,57 0.643,58 0.908,59 2.78,60 12.929,61 2.576,62 0.266,63 1.01,64 13.174,65 5.601,66 18.811,67 5.39,68 0.399,69 1.115,70 10.367,71 6.787,72 25.599,73 6.698,74 0.471,75 1.157,76 26.592,77 8.467,78 34.057,79 8.285,80 0.583,81 1.093,82 34.72,83 9.751,84 51.148,85 9.065,86 0.452,87 0.857,88 37.133,89 8.409,90 39.65,91 8.848,92 0.279,93 0.756,94 30.243,95 6.644,96 20.234,97 6.022,98 0.348,99 0.706,100 35.359,101 5.819,102 26.459,103 4.838,104 26,105 44,106 0.339,107 0.713,108 0.796,109 0.831,110 0.831,111 0.831,112 3.34,113 1.016,114 -4.58,115 -4.5,116 -4.23,118 1,119 42.5,125 1,139 4,140 2,141 4,144 1,147 1,148 2,150 1,155 1,157 2,158 2,159 2,166 2,169 1,170 5,172 3,173 3,175 4,178 7,180 1,182 6,187 2,189 1,191 1,193 2,195 1,196 1,197 1,198 7,200 2,201 5,204 3,205 1,207 1,210 3,211 1,212 2,214 1,215 10,218 2,226 1,229 6,231 1,234 5,238 1,239 4,240 1,241 2,243 2,246 1,254 4,260 6,265 4,268 2,270 4,273 1001,274 17.947,275 17.947,276 17.947,277 17.947,278 17.947,279 15.28,280 22.519,281 10.312,282 18.864,283 14.8,284 14.8,285 14.8,286 14.8,287 14.8,288 10.797,289 31.024,290 4.883,291 16.491,292 3.378,293 1.228,294 0.75,295 0.55,296 0.55,297 0.55,298 4.03,299 2,302 1,303 648,304 2.739,306 137.753,307 160.059,310 114.457,314 1.454,315 24.699,318 1,319 0.83,320 1,321 0.4,323 1,324 1,325 0.75,326 57.417,327 296,328 4.703,329 3.466,330 6.903,331 4.195,332 3.265,333 4.678,334 0.657,335 11.556,336 3.045,337 4.506,338 3.431,339 6.729,340 4.059,341 3.14,342 4.221,344 10.867,345 2.851,346 3.867,347 2.751,348 5.682,349 3.437,350 2.508,351 3.388,353 7.473,354 2.345,355 3.815,356 2.623,357 5.454,358 3.326,359 2.421,360 3.314,362 7.187,363 2.171,364 3.442,365 2.61,366 5.141,367 2.946,368 2.043,369 2.82,371 6.03,372 1.847,373 3.392,374 2.333,375 4.972,376 2.91,377 2.013,378 2.713,380 5.596,381 1.755,382 3.232,383 2.21,384 4.936,385 2.707,386 1.879,387 2.483,389 5.437,390 1.598,391 3.215,392 1.958,393 4.879,394 2.706,395 1.814,396 2.481,398 5.225,399 1.441,400 2.62,401 1.795,402 4.257,403 2.161,404 1.341,405 1.651,407 3.624,408 1.03,409 2.492,410 1.349,411 3.591,412 2.012,413 1.095,414 1.489,415 2.521,416 0.915,417 2.118,418 0.793,419 3.292,420 1.591,421 0.618,422 0.927,423 1.497,424 0.6,425 1.829,426 0.618,427 3,428 1.502,429 0.583,430 0.704,431 1.372,432 0.531,433 1.266,434 0.437,435 2.872,436 0.845,437 -0.029,438 -0.036,439 -0.081,440 -0.022,441 1.141,442 0.21,443 2.728,444 0.625,445 -0.241,446 -0.319,448 -0.652,449 -0.171,450 1,451 0.173,452 2.653,453 0.473,454 -0.347,455 -0.406,457 -0.898,458 -0.229,459 14.495,460 0.537,461 0.822,462 0.03,463 37.75,464 1.398,465 19.5,466 0.722,467 18.25,468 0.676,469 25.016,470 0.927,471 26.905,472 0.673,473 24.079,474 0.892,475 6.981,476 0.259,477 5.954,478 0.221,479 0.246,481 0.373,485 0.945,486 1.097,487 0.492,488 0.567,489 1.063,490 0.596,491 0.684,492 0.953,493 0.481,494 0.619,495 0.473,496 0.682,497 1.051,498 1.056,499 0.755,500 0.771,501 0.994,502 0.854,503 0.699,504 1.291,505 1.076,506 1.253,507 0.647,508 1.092,509 1.353,510 0.821,511 1.334,512 1.329,513 1.482,514 1.309,515 1.262,516 0.844,517 1.369,518 1.139,519 1.172,520 1.163,521 1.114,522 1.032,523 1.818,524 1.266,525 0.87,526 1.055,527 1.197,528 0.973,529 0.657,530 0.581,531 1.319,532 0.716,533 6,534 0.19,535 3.111,536 3.319,537 1.804,538 1.008,539 0.481,540 0.312,541 0.395,542 0.213,543 9082,544 33270,545 2.075,546 32.5,548 6,549 2,551 5,555 1.699,556 1.906,557 3.379,558 2.621,564 77.775,565 1.944,566 4.094,567 4.572,568 4.772,569 4.772,570 4.772,571 2.832,572 4.208,573 4.73,574 3.563,575 1250.46,576 8.198,577 15944.3,582 212.877,583 1.506,584 4.668,585 0.2,586 0.009,587 0.071,588 0.075,589 0.041,590 0.031,591 0.018,592 0.012,593 0.015,594 0.009,595 0.481,597 0.88,598 0.627,599 133.742,600 -0.229,601 0.017,602 -0.014,603 0.116,604 -0.303,605 0.099,606 0.083,607 0.125,608 0.127,609 0.173,610 0.177,611 0.104,612 -0.119,613 -0.047,614 -0.002,615 0.064,616 -0.169,617 0.017,618 0.281,619 -0.315,620 -0.011,621 -0.242,622 0.306,623 -0.147,624 -0.22,625 0.122,626 -0.197,627 -0.249,628 -0.308,629 -0.288,630 -0.22,631 0.002,632 -0.143,633 -0.074,634 -0.191,635 -0.045,636 -0.19,637 -0.046,638 -0.255,639 -0.095,640 -0.018,641 -0.034,642 -0.033,643 0.022,644 0.426,645 0.437,646 -0.174,647 0.248,648 1.507,649 2.338,650 0.741,651 22.521,652 1.025,653 1.118,654 3.346,655 11.193,656 0.789,657 3.434,658 3.807,659 4.111,660 4.443,661 4.554,662 4.663,663 4.691,664 4.762,665 4.828,666 4.89,667 6.432,668 0.741,669 484.23,670 3.434,671 5.004,672 5.878,673 6.788,674 7.675,675 8.588,676 9.479,677 10.392,678 11.286,679 12.2,680 15,684 2,685 1,688 1,690 2,694 2,695 6,696 2,699 1,700 8,701 1,702 21,711 2,712 1,717 3,718 40,719 21,720 1,721 30,722 1,723 43,724 17,725 16,726 4,727 2,729 4,730 5,731 2,741 16,742 1,757 13,758 5,759 5,760 10,761 4,764 6,769 0.75,776 1,777 1,780 2,781 2,784 1,802 3,804 1,805 1,807 2,810 27,811 2,816 1,817 1,825 1,828 3,836 14.167,837 7.112,838 5.778,839 2.095,840 3.803,841 1.503,842 1.055,843 5.419,844 11.363,845 3.726,846 4.431,847 5.081,848 5.747,849 6.181,850 6.539,851 6.839,852 7.176,853 7.359,854 7.589,855 1,856 44,857 9.882,859 4.261,860 7.777,861 18.627,863 15.416,865 2.277,866 61.472,870 94.169,871 113.428,872 165.229,873 78.297,876 31.278,877 128.105,878 172.466,879 119.275,881 2.106,882 121.794,883 51.899,884 21.4,885 27.769,886 147.858,887 78.297,888 94.169,889 201.426,891 109.575,892 45.954,893 94.169,897 7.449,898 142.395,899 129.879,900 77.232,901 94.169,902 119.275,903 237.68,906 94.169,907 57.429,908 57.899,909 63.965,910 177.663,911 94.169,912 119.275,913 237.68,915 0.595,916 0.356,917 0.209,918 0.1,919 23,920 11,921 0.093,922 4,923 1,924 1.1,925 3.83,926 237.849,927 0.1,928 20,929 118.382,930 1,933 19.111,934 7.656,935 3.721,936 1.525,937 117.376,938 11.285,939 8.3,942 1.459,943 5.012,944 1.875,945 83.805,946 451.124,947 40.5,956 40.982,957 44.715,958 0.365,959 0.769,960 0.859,961 0.897,962 0.897,963 0.897,964 4.978,965 1.814,966 5.894,967 5.437,968 4.489,969 5.118,970 0.623,971 6.76,972 4.283,973 6.234,974 1.341,975 7.488,976 5.225,977 4.205,978 5.094,980 7.756,981 3.855,982 7.576,983 1.095,984 9.181,985 3.624,986 6.133,987 7.44,988 0.317,989 10.901,990 5.779,991 8.955,992 0.618,993 10.932,994 2.521,995 6.648,996 8.236,998 12.748,999 6.174,1000 10.365,1001 0.583,1002 12.721,1003 1.497,1004 8.081,1005 10.069,1006 0.149,1007 15.421,1008 7.583,1009 11.799,1010 -0.029,1011 14.537,1012 1.372,1013 8.962,1014 11.255,1016 17.623,1017 8.359,1018 13.251,1019 -0.241,1020 16.376,1021 -0.081,1022 10.217,1023 12.891,1024 0.067,1025 20.136,1026 9.57,1027 3.265,1028 -0.347,1029 18.23,1030 -0.652,1031 11.261,1032 14.261,1034 22.478,1035 10.52,1036 3.14,1037 11.556,1038 20.099,1039 -0.898,1040 12.454,1041 15.823,1042 0.03,1043 24.936,1044 11.655,1045 2.508,1046 10.867,1047 21.978,1048 4.678,1049 13.568,1050 17.278,1052 27.331,1053 12.684,1054 2.421,1055 7.473,1056 23.866,1057 4.221,1058 14.741,1059 18.813,1060 0.013,1061 29.77,1062 13.792,1063 2.043,1064 7.187,1065 25.761,1066 3.388,1067 15.886,1068 20.306,1070 32.186,1071 14.856,1072 2.013,1073 6.03,1074 27.661,1075 3.314,1076 17.053,1077 21.834,1078 0.006,1079 34.619,1080 15.955,1081 1.879,1082 5.596,1083 29.566,1084 2.82,1085 18.212,1086 23.346,1088 37.044,1089 17.036,1090 8592,1091 16604,1092 19.709,1093 31.557,1094 46.061,1095 46.438,1096 47.274,1097 45.983,1098 45.443,1099 61.737,1100 1.315,1101 136.769,1102 40.258,1103 5.546,1104 5.466,1105 6.497,1106 5.332,1107 5.265,1108 7.678,1109 1.315,1110 18.597,1111 5.045,1112 14.726,1113 1.535,1114 1.548,1115 1.576,1116 1.533,1117 1.515,1118 2.058,1119 0.044,1120 4.559,1121 1.342,1122 4.084,1123 4.108,1124 6.885,1125 4.073,1126 5.303,1127 4.022,1128 4.012,1129 4.042,1130 4.245,1131 3.932,1132 5.044,1133 3.93,1134 3.753,1135 3.792,1136 4.142,1137 3.659,1138 4.981,1139 3.658,1140 3.439,1141 3.502,1142 3.755,1143 3.265,1144 4.725,1145 3.269,1146 3.139,1147 3.204,1148 3.582,1149 3.037,1150 4.632,1151 2.983,1152 3.07,1153 3.183,1154 3.449,1155 2.849,1156 4.623,1157 2.815,1158 2.901,1159 2.918,1160 3.334,1161 2.786,1162 4.281,1163 2.8,1164 2.75,1165 2.815,1166 3.04,1167 2.615,1168 4.052,1169 2.599,1170 0.157,1171 0.116,1172 0.23,1173 0.14,1174 0.109,1175 4.703,1176 0.156,1177 3.466,1178 0.022,1179 6.903,1180 0.385,1181 4.195,1182 0.102,1183 3.265,1184 4.678,1185 0.657,1186 11.556,1187 3.045,1188 1.912,1189 1.891,1190 1.954,1191 2.019,1192 1.144,1193 2.01,1194 1.814,1195 1.785,1196 1.842,1197 1.962,1198 1.037,1199 1.938,1200 1.507,1201 1.489,1202 1.67,1203 1.69,1204 0.733,1205 1.682,1206 1.48,1207 1.438,1208 1.59,1209 1.593,1210 0.694,1211 1.622,1212 1.356,1213 1.307,1214 1.467,1215 1.51,1216 0.583,1217 1.518,1218 1.009,1219 0.973,1220 1.261,1221 1.351,1222 0.287,1223 1.341,1224 0.96,1225 0.857,1226 1.034,1227 1.139,1228 0.105,1229 1.186,1230 0.849,1231 0.827,1232 1,1233 0.998,1235 1.035,1236 4.111,1238 5.468,1239 3.045,1240 7.008,1241 5.352,1242 8.643,1243 7.424,1244 10.331,1245 3.567,1247 12.899,1250 11.723,1252 0.494,1253 3.332,1262 29.63,1263 77.775,1264 163.758,1265 182.877,1266 190.877,1267 190.877,1268 190.877,1269 40.193,1270 7.56,1271 94.78,1272 123.02,1273 22,1274 12.716,1275 4.459,1276 3.524,1277 40.355,1278 107,1279 90,1280 0.188,1281 198.396,1282 320.07,1283 475.847,1284 19732,1285 7.5,1286 19.129,1287 0.708,1288 0.653,1289 21.483,1290 17.624,1291 12.936,1292 0.431,1293 0.339,1294 7.885,1295 11.166,1296 7.547,1297 6.194,1298 14.499,1299 10.164,1300 12.259,1301 0.279,1302 0.201,1303 14.649,1304 8.865,1305 10.157,1306 0.169,1307 0.108,1308 12.268,1309 6.45,1310 9.518,1311 0.113,1312 0.062,1313 12.28,1314 5.239,1315 6.486,1316 0.069,1317 0.034,1318 8.598,1319 3.207,1320 0.296,1321 98.841,1322 0.225,1323 25.857,1324 0.513,1325 148,1326 435.814,1327 300.491,1328 550.685,1329 730.92,1330 510,1331 178,1332 463.737,1333 268.359,1334 520.619,1335 771.52,1336 489,1337 5}
{0 CHEMBL33136,1 1.477,2 10.095,3 1.714,4 2.936,5 84.375,6 7.578,7 0.739,8 3.724,9 3.871,10 3.299,11 3.244,12 4.903,13 3.238,14 4.18,15 4.361,16 3.626,17 3.605,18 5.346,19 3.567,20 4.404,21 4.629,22 3.623,23 3.689,24 5.446,25 3.625,26 4.407,27 4.655,28 3.471,29 3.593,30 5.476,31 3.491,32 4.357,33 4.635,34 3.262,35 3.461,36 5.337,37 3.343,38 4.194,39 4.477,40 3.06,41 3.324,42 5.09,43 3.2,44 4.012,45 4.272,46 3.028,47 3.24,48 4.96,49 3.13,50 3.934,51 4.192,52 2.965,53 3.152,54 4.924,55 3.06,56 0.049,57 0.615,58 7.432,59 2.674,60 10.243,61 3.788,62 0.171,63 0.919,64 12.587,65 4.843,66 20.47,67 6.796,68 0.157,69 1.051,70 17.132,71 5.588,72 20.733,73 8.366,74 0.231,75 0.993,76 17.889,77 6.037,78 34.556,79 8.999,80 0.265,81 0.89,82 18.005,83 5.3,84 33.121,85 8.187,86 0.18,87 0.741,88 15.439,89 4.612,90 24.844,91 7.154,92 0.134,93 0.646,94 12.312,95 4.177,96 19.42,97 6.24,98 0.136,99 0.605,100 11.352,101 3.405,102 19.245,103 5.208,104 5,105 31,106 0.265,107 0.637,108 0.769,109 0.844,110 0.858,111 0.858,112 3.102,113 0.872,114 -3.89,115 -3.85,116 -3.65,119 40.5,121 1,125 1,139 6,140 2,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 8,169 2,170 3,172 3,173 3,175 3,178 8,180 1,182 3,185 1,187 3,189 5,191 1,192 1,195 3,196 3,197 1,198 3,200 2,201 2,204 1,205 1,207 1,210 2,211 1,212 3,214 1,215 2,218 1,221 1,226 1,229 3,234 4,238 1,239 1,240 1,241 4,243 1,246 4,251 1,254 3,256 1,260 5,265 3,268 1,270 3,273 558,274 14.292,275 14.292,276 14.292,277 14.292,278 14.292,279 12.205,280 16.037,281 8.642,282 14.593,283 11.388,284 11.388,285 11.388,286 11.388,287 11.388,288 8.317,289 20.492,290 4.157,291 11.884,292 3.733,293 1.663,294 0.926,295 0.507,296 0.432,297 0.432,298 3.787,300 1,301 1,302 1,303 458,304 2.449,307 176.045,311 90.6,314 1.528,315 15.546,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 45,327 212,328 4.541,329 3.12,330 6.502,331 4.036,332 3.078,333 4.491,334 0.4,335 10.174,336 2.949,337 3.9,338 2.739,339 5.356,340 3.527,341 2.534,342 3.445,344 7.006,345 2.521,346 3.768,347 2.542,348 5.295,349 3.347,350 2.399,351 3.233,353 6.841,354 2.27,355 3.429,356 2.176,357 5.062,358 2.974,359 2.046,360 2.811,362 5.803,363 1.892,364 3.377,365 2.039,366 4.97,367 2.886,368 1.966,369 2.7,371 5.754,372 1.805,373 2.937,374 1.633,375 3.713,376 2.541,377 1.546,378 2.106,380 3.235,381 1.538,382 2.5,383 1.21,384 3.678,385 2.038,386 1.077,387 1.5,389 2.565,390 1.033,391 2.457,392 1.057,393 3.348,394 2,395 1,396 1.438,398 2.356,399 1,400 2.247,401 1,402 3.247,403 1.94,404 1,405 1.218,407 2.136,408 0.938,409 1.503,410 0.348,411 2.809,412 1.145,413 0.205,414 0.253,415 0.503,416 0.192,417 1.08,418 -0.002,419 2.633,420 0.75,421 -0.196,422 -0.241,423 -0.477,424 -0.185,425 0.956,426 -0.298,427 2.492,428 0.469,429 -0.448,430 -0.578,431 -1.154,432 -0.41,433 0.637,434 -0.552,435 2.212,436 0.252,437 -0.718,438 -0.89,439 -1.664,440 -0.688,441 0.505,442 -0.732,443 1.77,444 0.127,445 -0.815,446 -1.101,448 -2.174,449 -0.772,450 0.5,451 -0.938,452 1.555,454 -1,455 -1.315,457 -2.347,458 -0.964,459 9.9,460 0.471,461 0.452,462 0.022,463 31.5,464 1.5,465 17.5,466 0.833,467 14,468 0.667,469 12.231,470 0.582,471 21.9,472 0.592,473 20.115,474 0.958,475 6.253,476 0.298,477 3.967,478 0.189,479 0.081,481 0.303,485 1.18,486 1.242,487 0.829,488 0.916,489 1.288,490 0.835,491 0.594,492 1.008,493 0.826,494 1.043,495 0.474,496 0.982,497 1.041,498 1.176,499 0.982,500 1.071,501 0.86,502 1.027,503 0.69,504 1.078,505 1.018,506 1.206,507 0.697,508 1.17,509 1.058,510 0.881,511 1.096,512 0.984,513 1.034,514 1.035,515 1.141,516 0.86,517 1.054,518 0.897,519 1.086,520 0.951,521 0.833,522 0.867,523 0.962,524 0.964,525 0.858,526 0.979,527 1.262,528 0.88,529 1.08,530 0.875,531 1.22,532 0.937,533 4,534 0.07,535 1.778,536 1.125,537 1.089,538 0.41,539 0.262,540 0.106,541 0.188,542 0.097,543 4843,544 12729,545 2.102,546 43.2,548 8,550 1,551 5,553 2,555 1.625,556 2,557 3.298,558 2.798,560 1,562 1,564 54.637,565 1.477,566 3.547,567 4.283,568 4.703,569 4.777,570 4.777,571 2.743,572 3.88,573 4.365,574 3.438,575 722.047,576 7.442,577 7858.71,578 1,579 1,581 1,582 192.75,583 1.268,584 4.338,585 0.174,586 0.006,587 0.057,588 0.038,589 0.045,590 0.022,591 0.016,592 0.007,593 0.013,594 0.007,595 0.385,596 0.33,597 1,598 0.532,599 96.428,600 -0.218,601 -0.036,602 0.007,603 0.085,604 -0.288,605 0.081,606 0.318,607 0.114,608 0.051,609 -0.035,610 0.285,611 -0.033,612 -0.076,613 -0.148,614 -0.045,615 -0.093,616 -0.054,617 -0.069,618 0.256,619 -0.11,620 -0.051,621 -0.229,622 0.241,623 -0.194,624 0.002,625 0.051,626 -0.084,627 -0.042,628 -0.041,629 -0.071,630 -0.179,631 0.044,632 -0.043,633 0.073,634 -0.176,635 0.042,636 0.005,637 0.065,638 0.011,639 0.046,640 -0.029,641 0.032,642 -0.257,643 0.091,644 -0.099,645 0.088,646 -0.238,647 0.03,648 1.53,649 1.847,650 0.762,651 17.17,652 1.001,653 1.137,654 2.663,655 7.092,656 0.671,657 3.178,658 3.466,659 3.689,660 3.932,661 4.143,662 4.094,663 4.127,664 4.159,665 4.263,666 4.174,667 5.887,668 0.642,669 280.37,670 3.178,671 4.691,672 5.517,673 6.375,674 7.217,675 8.081,676 8.931,677 9.797,678 10.653,679 11.522,680 16.2,684 2,685 1,690 3,694 2,695 7,696 3,700 4,702 17,711 2,712 1,718 37,719 17,720 1,721 23,723 39,724 15,725 13,726 1,727 5,729 3,730 4,739 1,741 13,742 2,753 1,754 1,757 16,758 6,759 5,760 6,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,810 21,811 2,816 2,817 1,836 10.5,837 6.35,838 4.639,839 2.032,840 3.235,841 1.478,842 1.025,843 3.84,844 9.999,845 3.481,846 4.111,847 4.703,848 5.306,849 5.887,850 6.062,851 6.371,852 6.677,853 7.04,854 6.901,855 0.857,856 30,857 7.678,859 3.193,860 7.714,861 14.595,863 11.663,865 2.214,866 46.5,870 129.482,871 85.003,872 134.162,877 85.003,878 129.482,879 134.162,881 4.64,882 122.652,883 80.138,884 19.278,885 4.227,886 117.711,888 129.482,889 219.164,893 107.655,894 23.542,897 15.587,898 133.495,899 68.367,901 129.482,902 134.162,903 85.003,906 129.482,907 19.098,908 65.905,909 18.011,910 116.151,911 129.482,912 134.162,913 85.003,915 0.573,916 0.325,917 0.178,918 0.097,919 15,920 6,921 0.103,922 4,923 1,924 1.125,925 3.469,926 154.355,927 0.125,928 16,929 88.239,933 13.587,934 5.936,935 3.202,936 1.211,937 134.162,938 13.911,939 12.256,943 2.655,945 83.805,946 348.647,947 31.5,956 37.029,957 42.066,958 0.283,959 0.681,960 0.822,961 0.903,962 0.917,963 0.917,964 4.675,965 1,966 5.476,967 2.565,968 4.143,969 4.796,970 0.278,971 6.229,972 4.06,973 5.882,974 1,975 6.993,976 2.356,977 3.611,978 4.559,980 6.986,981 3.481,982 7.179,983 0.205,984 8.608,985 2.136,986 5.673,987 7.048,988 0.05,989 10.078,990 5.513,991 8.513,992 -0.196,993 10.282,994 0.503,995 5.943,996 7.644,998 11.689,999 5.738,1000 9.878,1001 -0.448,1002 11.996,1003 -0.477,1004 7.47,1005 9.596,1006 0.008,1007 14.296,1008 7.238,1009 11.267,1010 -0.718,1011 13.738,1012 -1.154,1013 8.149,1014 10.626,1016 16.297,1017 7.872,1018 12.676,1019 -0.815,1020 15.502,1021 -1.664,1022 9.437,1023 12.332,1024 0.001,1025 18.729,1026 9.13,1027 3.078,1028 -1,1029 17.284,1030 -2.174,1031 10.332,1032 13.597,1034 20.909,1035 9.979,1036 2.534,1037 10.174,1038 19.08,1039 -2.347,1040 11.514,1041 15.187,1043 23.274,1044 11.126,1045 2.399,1046 7.006,1047 20.889,1048 4.491,1049 12.521,1050 16.574,1052 25.534,1053 12.086,1054 2.046,1055 6.841,1056 22.708,1057 3.445,1058 13.659,1059 18.112,1061 27.872,1062 13.186,1063 1.966,1064 5.803,1065 24.536,1066 3.233,1067 14.723,1068 19.559,1070 30.166,1071 14.202,1072 1.546,1073 5.754,1074 26.372,1075 2.811,1076 15.845,1077 21.075,1079 32.493,1080 15.283,1081 1.077,1082 3.235,1083 28.214,1084 2.7,1085 16.937,1086 22.55,1088 34.802,1089 16.328,1090 4651,1091 7674,1092 15.603,1093 24.841,1094 33.926,1095 33.746,1096 34.048,1097 33.738,1098 33.703,1099 46.388,1100 0.8,1101 92.748,1102 32.278,1103 5.404,1104 5.12,1105 6.304,1106 5.111,1107 5.078,1108 7.491,1109 0.8,1110 17.069,1111 4.949,1112 8.017,1113 1.475,1114 1.467,1115 1.48,1116 1.467,1117 1.465,1118 2.017,1119 0.035,1120 4.033,1121 1.403,1122 4.05,1123 4.095,1124 4.025,1125 3.922,1126 5.325,1127 3.94,1128 3.911,1129 3.945,1130 3.835,1131 3.847,1132 4.982,1133 3.842,1134 3.552,1135 3.628,1136 3.471,1137 3.351,1138 4.829,1139 3.368,1140 3.328,1141 3.406,1142 3.195,1143 3.153,1144 4.749,1145 3.157,1146 3.109,1147 3.224,1148 3.003,1149 2.814,1150 4.277,1151 2.85,1152 2.894,1153 2.986,1154 2.777,1155 2.735,1156 4.045,1157 2.715,1158 2.854,1159 2.925,1160 2.687,1161 2.675,1162 3.826,1163 2.688,1164 2.669,1165 2.763,1166 2.501,1167 2.466,1168 3.674,1169 2.471,1170 0.197,1171 0.136,1172 0.283,1173 0.175,1174 0.134,1175 4.541,1176 0.195,1177 3.12,1178 0.017,1179 6.502,1180 0.442,1181 4.036,1182 0.128,1183 3.078,1184 4.491,1185 0.4,1186 10.174,1187 2.949,1188 1.967,1189 1.931,1190 2.064,1191 2.12,1192 1.235,1193 2.095,1194 1.912,1195 1.882,1196 2.002,1197 2.001,1198 1.074,1199 2.017,1200 1.495,1201 1.425,1202 1.713,1203 1.729,1204 0.874,1205 1.724,1206 1.292,1207 1.225,1208 1.471,1209 1.521,1210 0.416,1211 1.523,1212 0.999,1213 0.9,1214 1.269,1215 1.378,1216 0.22,1217 1.358,1218 0.886,1219 0.821,1220 1.181,1221 1.12,1222 0.218,1223 1.125,1224 0.843,1225 0.761,1226 1.128,1227 1.062,1229 1.107,1230 0.64,1231 0.554,1232 0.962,1233 0.923,1235 0.945,1236 3.85,1238 5.142,1240 6.635,1242 8.224,1244 9.866,1250 11.396,1252 1.75,1253 3.322,1262 23.762,1263 54.637,1264 131.224,1265 158.485,1266 173.995,1267 176.75,1268 176.75,1269 24.652,1270 6.764,1271 102.74,1272 102.74,1273 18,1274 12.069,1275 4.17,1276 3.248,1277 32.458,1278 74,1279 69,1280 0.214,1281 149.822,1282 243.16,1283 357.326,1284 7555,1286 14.656,1287 0.698,1288 0.545,1289 14.656,1290 11.452,1291 10.22,1292 0.444,1293 0.291,1294 6.602,1295 9.883,1296 6.478,1297 5.398,1298 10.22,1299 6.687,1300 9.092,1301 0.293,1302 0.152,1303 9.092,1304 4.725,1305 7.316,1306 0.188,1307 0.082,1308 7.316,1309 3.184,1310 6.204,1311 0.124,1312 0.043,1313 6.204,1314 2.145,1315 4.924,1316 0.079,1317 0.023,1318 4.924,1319 1.399,1320 0.341,1321 63.624,1322 0.253,1323 21.201,1324 0.57,1325 108,1326 291.893,1327 117.88,1328 294.943,1329 411.82,1330 276,1331 124,1332 314.479,1333 133.353,1334 321.774,1335 465.89,1336 303,1337 6.553}
{0 CHEMBL331682,1 1.927,2 10.231,3 2.45,4 6.004,5 109.22,6 10.008,7 0.571,8 3.917,9 4.025,10 3.759,11 3.431,12 5.121,13 3.416,14 4.401,15 4.553,16 4.326,17 3.813,18 5.559,19 3.768,20 4.467,21 4.59,22 4.329,23 3.926,24 5.647,25 3.887,26 4.643,27 4.78,28 4.416,29 3.994,30 5.83,31 3.92,32 4.777,33 4.97,34 4.26,35 3.975,36 5.839,37 3.852,38 4.654,39 4.871,40 4.044,41 3.869,42 5.611,43 3.72,44 4.582,45 4.84,46 3.922,47 3.787,48 5.478,49 3.613,50 4.42,51 4.663,52 4.138,53 3.569,54 5.43,55 3.506,56 0.155,57 0.676,58 5.703,59 3.867,60 13.026,61 4.123,62 0.508,63 1.002,64 26.786,65 7.366,66 33.98,67 7.235,68 0.485,69 1.12,70 12.912,71 6.965,72 23.389,73 7.447,74 0.555,75 1.29,76 29.219,77 8.962,78 31.776,79 10.204,80 0.882,81 1.283,82 37.796,83 10.56,84 59.15,85 11.054,86 0.647,87 1.116,88 33.464,89 9.44,90 42.684,91 10.812,92 0.501,93 1.027,94 47.088,95 10.52,96 38.945,97 12.456,98 0.503,99 0.869,100 29.89,101 7.451,102 34.805,103 8.689,104 46,105 40,106 0.335,107 0.665,108 0.735,109 0.762,110 0.773,111 0.805,112 3.304,113 0.978,114 -2.53,115 -2.56,116 -2.5,118 1,119 36.4,124 3,125 1,139 2,140 2,141 4,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 1,169 1,170 5,172 3,173 3,175 4,178 5,180 1,181 2,182 4,187 2,189 1,191 1,192 1,193 4,195 1,196 3,197 1,198 5,200 2,201 2,204 3,205 1,207 1,210 3,211 1,212 2,214 1,215 2,218 2,221 2,226 1,229 4,231 1,234 7,238 1,239 2,240 1,243 2,246 5,259 4,260 2,262 2,263 2,265 2,270 2,273 904,274 17.489,275 17.489,276 17.489,277 17.489,278 17.489,279 15.485,280 26.478,281 9.966,282 18.588,283 13.603,284 13.603,285 13.603,286 13.603,287 13.603,288 10.331,289 39.077,290 4.423,291 15.188,292 3.532,293 1.635,294 1.228,295 1.075,296 1.012,297 0.824,298 3.981,301 1,302 1,303 558,304 3.162,306 57.817,307 156.315,310 108.794,314 1.325,315 26.517,318 1,319 1,320 1,321 0.8,323 0.83,324 0.5,325 0.73,326 57.25,327 266,328 4.703,329 3.439,330 6.903,331 4.195,332 3.265,333 4.678,334 0.86,335 11.556,336 3.046,337 4.419,338 3.369,339 6.523,340 4.003,341 3.06,342 4.104,343 0.86,344 10.257,345 2.879,346 3.84,347 2.749,348 5.68,349 3.377,350 2.48,351 3.32,352 0.86,353 7.438,354 2.23,355 3.563,356 2.555,357 5.288,358 3.187,359 2.255,360 2.881,361 0.657,362 6.725,363 2.088,364 3.435,365 2.527,366 5.19,367 2.972,368 2.061,369 2.811,371 6.118,372 1.867,373 3.355,374 2.228,375 5.139,376 2.91,377 2.034,378 2.604,380 6.025,381 1.757,382 3.218,383 1.992,384 4.941,385 2.712,386 1.821,387 2.485,389 5.465,390 1.602,391 2.614,392 1.946,393 4.26,394 2.158,395 1.352,396 1.643,398 3.638,399 1,400 2.22,401 1.787,402 3.809,403 1.966,404 1.146,405 1.204,407 2.476,408 0.902,409 1.796,410 1.049,411 3.274,412 1.506,413 0.605,414 0.7,415 1.416,416 0.54,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.399,426 0.769,427 2.73,428 1.147,429 0.304,430 0.327,431 0.396,432 0.254,433 1.143,434 0.249,435 2.66,436 0.709,437 -0.21,438 -0.25,439 -0.49,440 -0.159,441 1.007,442 0.088,443 2.486,444 0.566,445 -0.259,446 -0.338,448 -0.671,449 -0.193,450 0.743,451 -0.1,452 2.385,453 0.372,454 -0.527,455 -0.618,457 -1.12,458 -0.425,459 13.167,460 0.506,461 0.695,462 0.027,463 34.5,464 1.327,465 17,466 0.654,467 17.5,468 0.673,469 23.775,470 0.914,471 28.233,472 0.642,473 23.814,474 0.916,475 6.76,476 0.26,477 5.717,478 0.22,479 0.276,481 0.38,485 1.045,486 1.254,487 0.525,488 0.821,489 1.19,490 0.811,491 1.274,492 0.73,493 0.484,494 0.517,495 0.838,496 0.531,497 0.958,498 1.193,499 0.755,500 0.805,501 0.902,502 0.847,503 0.715,504 1.515,505 1.1,506 1.428,507 0.675,508 1.297,509 1.419,510 0.898,511 1.075,512 1.06,513 1.325,514 1.139,515 1.193,516 0.898,517 1.073,518 0.916,519 1.042,520 1.11,521 0.69,522 0.831,523 1.296,524 1.019,525 0.647,526 0.928,527 0.776,528 0.834,529 0.651,530 0.796,531 0.849,532 0.619,533 6,534 0.144,535 3.111,536 3.042,537 2.014,538 0.917,539 0.416,540 0.333,541 0.462,542 0.292,543 7259,544 25502,545 1.992,546 40.9,548 13,551 5,555 1.692,556 1.814,557 3.29,558 2.672,560 1,564 84.792,565 1.927,566 3.825,567 4.231,568 4.385,569 4.447,570 4.635,571 2.661,572 4.239,573 4.677,574 3.442,575 1118.72,576 8.107,577 13887.8,579 1,581 1,582 240.215,583 1.549,584 4.601,585 0.214,586 0.008,587 0.078,588 0.069,589 0.048,590 0.029,591 0.016,592 0.013,593 0.017,594 0.011,595 0.502,596 0.17,597 1,598 1.028,599 126.476,600 -0.179,601 -0.069,602 -0.001,603 0.025,604 -0.266,605 0.042,606 -0.121,607 0.325,608 0.192,609 0.407,610 0.083,611 0.377,612 0.016,613 -0.066,614 0.016,615 0.087,616 -0.062,617 0.029,618 0.203,619 -0.442,620 -0.062,621 -0.388,622 0.184,623 -0.344,624 -0.251,625 0.074,626 -0.092,627 -0.065,628 -0.27,629 -0.187,630 -0.233,631 0.009,632 -0.062,633 0.014,634 -0.227,635 -0.117,636 0.048,637 0.031,638 -0.035,639 0.058,640 0.143,641 0.18,642 0.179,643 0.059,644 0.243,645 0.146,646 0.121,647 0.403,648 1.507,649 2.04,650 0.577,651 20.444,652 1.022,653 1.132,654 1.301,655 1.693,656 0.698,657 3.367,658 3.714,659 4.025,660 4.331,661 4.489,662 4.533,663 4.554,664 4.625,665 4.691,666 4.745,667 6.046,668 0.663,669 440.36,670 3.367,671 4.92,672 5.79,673 6.693,674 7.58,675 8.487,676 9.379,677 10.286,678 11.181,679 12.088,680 11.4,684 2,685 1,690 2,694 2,695 2,696 2,699 1,700 8,702 16,711 2,712 1,716 3,717 1,718 44,719 16,720 1,721 28,722 1,723 46,724 16,725 12,726 4,727 2,729 3,730 4,741 12,742 4,754 1,757 18,758 8,759 5,760 10,761 2,764 5,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,804 1,805 1,806 3,810 26,811 2,816 1,817 1,818 3,825 1,828 1,829 6.8,834 3,836 14.333,837 8.793,838 5.917,839 2.132,840 3.155,841 1.435,842 0.984,843 6.064,844 10.409,845 3.611,846 4.287,847 4.939,848 5.579,849 6.067,850 6.352,851 6.617,852 6.934,853 7.069,854 7.316,855 0.857,856 44,857 9.508,859 3.918,860 7.798,861 17.83,863 13.98,865 2.298,866 59.75,869 1,870 153.024,871 115.003,872 163.33,874 33,876 31.278,877 129.679,878 186.024,879 117.376,880 32.649,881 2.106,882 84.747,883 51.899,884 58.473,885 4.227,886 230.256,888 153.024,889 201.101,890 33,891 31.278,892 45.954,893 153.024,894 33,897 5.55,898 143.97,899 51.582,900 77.232,901 153.024,902 150.376,903 160.957,906 153.024,907 63.401,908 51.602,909 63.965,910 132.365,911 153.024,912 150.376,913 160.957,915 0.579,916 0.365,917 0.213,918 0.11,919 19,920 10,921 0.13,922 6,923 1,924 1.133,925 3.624,926 219.434,927 0.133,928 15,929 114.211,930 1,933 19.412,934 8.122,935 3.859,936 1.527,937 150.376,938 3.67,939 8.295,942 1.46,943 4.87,945 83.805,946 464.357,947 36,956 44.982,957 49.788,958 0.353,959 0.701,960 0.775,961 0.803,962 0.815,963 0.849,964 4.86,965 1.352,966 5.802,967 5.465,968 4.394,969 4.973,970 1.841,971 6.668,972 4.199,973 6.105,974 1.146,975 7.399,976 3.638,977 4.111,978 5.007,980 7.681,981 3.852,982 7.449,983 0.605,984 9.094,985 2.476,986 6.043,987 7.303,988 1.538,989 10.801,990 5.718,991 8.833,992 0.396,993 10.844,994 1.416,995 6.553,996 8.135,998 12.637,999 6.167,1000 10.247,1001 0.304,1002 12.63,1003 0.603,1004 7.987,1005 9.951,1006 1.278,1007 15.295,1008 7.548,1009 11.683,1010 -0.21,1011 14.442,1012 0.396,1013 8.862,1014 11.155,1016 17.483,1017 8.357,1018 13.138,1019 -0.259,1020 16.273,1021 -0.49,1022 10.115,1023 12.789,1024 1.053,1025 19.986,1026 9.557,1027 3.265,1028 -0.527,1029 18.12,1030 -0.671,1031 11.154,1032 14.169,1034 22.317,1035 10.528,1036 3.06,1037 11.556,1038 19.981,1039 -1.12,1040 12.343,1041 15.734,1042 0.858,1043 24.769,1044 11.661,1045 2.48,1046 10.257,1047 21.851,1048 4.678,1049 13.454,1050 17.194,1052 27.158,1053 12.702,1054 2.255,1055 7.438,1056 23.73,1057 4.104,1058 14.623,1059 18.733,1060 0.691,1061 29.593,1062 13.811,1063 2.061,1064 6.725,1065 25.617,1066 3.32,1067 15.764,1068 20.231,1070 32.007,1071 14.883,1072 2.034,1073 6.118,1074 27.509,1075 2.881,1076 16.928,1077 21.762,1078 0.549,1079 34.438,1080 15.984,1081 1.821,1082 6.025,1083 29.407,1084 2.811,1085 18.083,1086 23.278,1088 36.863,1089 17.07,1090 7233,1091 13708,1092 17.918,1093 30.722,1094 41.421,1095 43.012,1096 44.876,1097 41.631,1098 41.56,1099 54.418,1100 6.475,1101 124.225,1102 37.014,1103 5.548,1104 5.439,1105 6.446,1106 5.331,1107 5.265,1108 7.678,1109 1.72,1110 18.597,1111 5.046,1112 16.046,1113 1.479,1114 1.536,1115 1.603,1116 1.487,1117 1.484,1118 1.943,1119 0.231,1120 4.437,1121 1.322,1122 4.073,1123 4.092,1124 6.885,1125 4.071,1126 5.303,1127 4.017,1128 3.924,1129 3.935,1130 4.242,1131 3.822,1132 4.984,1133 3.834,1134 3.464,1135 3.531,1136 3.899,1137 3.269,1138 4.976,1139 3.277,1140 3.303,1141 3.355,1142 3.448,1143 3.078,1144 4.625,1145 3.062,1146 3.275,1147 3.331,1148 3.286,1149 3.006,1150 4.58,1151 3.026,1152 3.203,1153 3.28,1154 3.144,1155 2.912,1156 4.469,1157 2.901,1158 3.074,1159 3.189,1160 3.047,1161 2.876,1162 4.316,1163 2.846,1164 3.021,1165 3.112,1166 2.969,1167 2.731,1168 4.072,1169 2.749,1170 0.168,1171 0.123,1172 0.247,1173 0.15,1174 0.117,1175 4.703,1176 0.167,1177 3.439,1178 0.031,1179 6.903,1180 0.413,1181 4.195,1182 0.109,1183 3.265,1184 4.678,1185 0.86,1186 11.556,1187 3.046,1188 1.886,1189 1.869,1190 1.962,1191 2.024,1192 1.125,1193 2.005,1194 1.808,1195 1.781,1196 1.843,1197 1.964,1198 1.011,1199 1.934,1200 1.491,1201 1.482,1202 1.597,1203 1.659,1204 0.725,1205 1.661,1206 1.227,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.205,1213 1.147,1214 1.567,1215 1.51,1216 0.573,1217 1.529,1218 1.158,1219 1.072,1220 1.493,1221 1.438,1222 0.559,1223 1.466,1224 0.998,1225 0.95,1226 1.263,1227 1.342,1228 0.296,1229 1.339,1230 0.956,1231 0.845,1232 1.037,1233 1.139,1234 0.09,1235 1.187,1236 4.043,1238 5.38,1239 2.398,1240 6.919,1241 4.844,1242 8.557,1243 7.034,1244 10.247,1245 3.566,1246 4.718,1250 11.714,1252 0.497,1253 3.341,1254 16.092,1262 29.151,1263 84.792,1264 168.287,1265 186.176,1266 192.931,1267 195.686,1268 203.95,1269 41.568,1270 7.253,1271 117.54,1272 145.78,1273 17,1274 12.608,1275 4.087,1276 3.17,1277 44.333,1278 97,1279 83,1280 0.231,1281 190.581,1282 316.26,1283 456.777,1284 12899,1285 2.3,1286 18.845,1287 0.725,1288 0.647,1289 20.198,1290 16.824,1291 12.477,1292 0.446,1293 0.326,1294 7.443,1295 10.931,1296 7.066,1297 5.907,1298 13.463,1299 9.127,1300 11.092,1301 0.277,1302 0.19,1303 12.739,1304 7.586,1305 9.492,1306 0.173,1307 0.103,1308 10.982,1309 5.659,1310 8.517,1311 0.114,1312 0.058,1313 10.296,1314 4.342,1315 6.429,1316 0.073,1317 0.033,1318 8.056,1319 2.919,1320 0.36,1321 92.511,1322 0.236,1323 24.814,1324 0.643,1325 136,1326 462.969,1327 263.673,1328 493.923,1329 663.96,1330 462,1331 163,1332 445.127,1333 235.647,1334 481.765,1335 708.32,1336 446,1337 4.77}
{0 CHEMBL33187,1 1.558,2 13.148,3 2.953,4 8.717,5 105.861,6 7.965,7 0.767,8 3.931,9 4.057,10 3.553,11 3.475,12 5.139,13 3.479,14 4.377,15 4.528,16 3.896,17 3.828,18 5.589,19 3.812,20 4.605,21 4.793,22 3.905,23 3.905,24 5.712,25 3.87,26 4.603,27 4.826,28 3.751,29 3.825,30 5.706,31 3.753,32 4.535,33 4.779,34 3.628,35 3.784,36 5.565,37 3.695,38 4.45,39 4.673,40 3.499,41 3.739,42 5.447,43 3.63,44 4.414,45 4.674,46 3.379,47 3.621,48 5.333,49 3.502,50 4.2,51 4.439,52 3.333,53 3.431,54 5.193,55 3.352,56 0.066,57 0.717,58 8.18,59 3.423,60 11.785,61 4.266,62 0.185,63 1.084,64 13.782,65 5.907,66 22.463,67 7.511,68 0.249,69 1.261,70 19.607,71 7.114,72 27.935,73 9.181,74 0.357,75 1.234,76 21.018,77 7.418,78 42.578,79 9.964,80 0.312,81 1.153,82 20.151,83 6.987,84 35.307,85 9.749,86 0.239,87 1.036,88 17.728,89 6.813,90 28.896,91 9.321,92 0.221,93 0.965,94 18.67,95 6.76,96 28.861,97 9.607,98 0.126,99 0.804,100 14.308,101 5.147,102 19.487,103 7.269,104 5,105 41,106 0.264,107 0.579,108 0.706,109 0.816,110 0.849,111 0.849,112 3.339,113 0.842,114 -4.37,115 -4.3,116 -4.06,119 44.4,125 1,139 10,140 2,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 9,169 2,170 7,172 3,173 3,175 3,178 8,180 1,182 7,185 1,187 4,189 4,191 1,192 1,193 2,195 3,196 3,197 1,198 3,200 2,201 5,204 1,205 1,207 1,210 2,211 1,212 1,214 1,215 11,218 1,221 2,224 1,229 12,234 4,238 1,239 1,240 1,241 6,243 1,246 5,251 4,254 1,256 2,259 1,260 5,265 5,270 3,273 1105,274 18.463,275 18.463,276 18.463,277 18.463,278 18.463,279 15.652,280 22.507,281 11.053,282 18.877,283 14.854,284 14.854,285 14.854,286 14.854,287 14.854,288 10.721,289 31.488,290 5.34,291 15.566,292 3.933,293 2.081,294 1.333,295 0.683,296 0.489,297 0.489,298 4.042,300 1,301 1,302 1,303 781,304 2.646,307 339.83,311 129.887,314 2.08,315 19.911,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 58,327 355,328 4.541,329 3.123,330 6.502,331 4.036,332 3.079,333 4.491,334 0.86,335 10.175,336 2.95,337 4.089,338 3.074,339 5.619,340 3.683,341 2.729,342 3.677,343 0.657,344 7.793,345 2.616,346 3.868,347 2.776,348 5.389,349 3.467,350 2.508,351 3.411,353 7.107,354 2.394,355 3.76,356 2.491,357 5.251,358 3.323,359 2.367,360 3.231,362 6.718,363 2.255,364 3.449,365 2.273,366 5.062,367 3.043,368 2.088,369 2.811,371 5.878,372 1.992,373 3.424,374 2.153,375 4.979,376 2.955,377 2.02,378 2.76,380 5.797,381 1.88,382 3.345,383 2.022,384 4.933,385 2.869,386 1.94,387 2.66,389 5.71,390 1.794,391 2.865,392 1.528,393 3.71,394 2.399,395 1.421,396 2.023,398 3.043,399 1.384,400 2.5,401 1.064,402 3.594,403 2,404 1.009,405 1.5,407 2.565,408 1,409 2.5,410 1.024,411 3.414,412 2,413 1,414 1.5,415 2.275,416 1,417 2.454,418 1,419 3.284,420 1.945,421 1,422 1.435,423 2.136,424 0.942,425 1.974,426 1,427 3.247,428 1.716,429 0.777,430 0.898,431 1.844,432 0.727,433 1.473,434 0.452,435 2.846,436 1.092,437 0.168,438 0.209,439 0.421,440 0.154,441 1.257,442 0.133,443 2.705,444 0.867,445 -0.052,446 -0.066,448 -0.131,449 -0.047,450 0.974,451 -0.227,452 2.549,453 0.49,454 -0.432,455 -0.559,457 -1.109,458 -0.395,459 12.733,460 0.472,461 0.588,462 0.022,463 42,464 1.556,465 24,466 0.889,467 18,468 0.667,469 15.99,470 0.592,471 27.467,472 0.61,473 29.308,474 1.085,475 8.451,476 0.313,477 4.719,478 0.175,479 0.063,481 0.314,485 1.076,486 1.153,487 0.77,488 0.897,489 1.249,490 0.795,491 0.79,492 1.012,493 0.803,494 1.058,495 0.544,496 0.961,497 1.384,498 1.183,499 1.042,500 1.092,501 1.009,502 1.038,503 1.099,504 0.966,505 1.077,506 1.054,507 0.886,508 1.074,509 0.881,510 0.781,511 1.03,512 0.891,513 0.983,514 0.96,515 0.858,516 0.98,517 1.153,518 1.121,519 1.049,520 1.176,521 0.741,522 0.848,523 0.96,524 0.962,525 0.828,526 0.989,527 0.825,528 1.123,529 0.887,530 1.064,531 0.713,532 0.996,533 5.5,534 0.136,535 2.222,536 1.25,537 1.631,538 0.424,539 0.34,540 0.391,541 0.151,542 0.132,543 10700,544 29209,545 2.142,546 40,548 12,550 1,551 5,555 1.692,556 2.051,557 3.652,558 2.511,559 1,560 1,564 70.126,565 1.558,566 3.411,567 4.159,568 4.808,569 5.003,570 5.003,571 3.12,572 4.31,573 4.727,574 3.831,575 1344.69,576 8.156,577 18269.6,579 1,581 1,582 247.133,583 1.218,584 4.706,585 0.183,586 0.008,587 0.054,588 0.031,589 0.049,590 0.014,591 0.013,592 0.017,593 0.007,594 0.007,595 0.383,597 1,598 0.454,599 137.494,600 -0.164,601 -0.012,602 0.018,603 0.059,604 -0.304,605 0.073,606 0.183,607 0.071,608 0.042,609 -0.089,610 0.243,611 -0.058,612 -0.163,613 -0.175,614 -0.1,615 -0.128,616 -0.1,617 -0.112,618 0.021,619 0.014,620 -0.088,621 -0.089,622 0.115,623 -0.113,624 -0.026,625 0.198,626 -0.042,627 0.086,628 -0.045,629 0.033,630 -0.052,631 -0.03,632 -0.201,633 -0.108,634 -0.215,635 -0.166,636 0.017,637 0.052,638 0.06,639 0.062,640 -0.016,641 0.067,642 0.009,643 -0.187,644 0.109,645 -0.063,646 0.126,647 0.024,648 1.55,649 2.299,650 0.815,651 28.727,652 1.005,653 1.126,654 3.14,655 9.86,656 0.69,657 3.434,658 3.738,659 3.97,660 4.22,661 4.466,662 4.431,663 4.511,664 4.625,665 4.71,666 4.71,667 7.566,668 0.667,669 358.44,670 3.434,671 4.963,672 5.796,673 6.658,674 7.505,675 8.369,676 9.223,677 10.088,678 10.945,679 11.812,680 13.3,684 2,685 1,690 3,694 2,695 11,696 3,700 6,702 23,711 2,712 1,716 1,718 45,719 23,720 2,721 30,723 48,724 20,725 19,726 3,727 9,729 4,730 5,741 19,742 1,753 1,754 1,757 18,758 7,759 5,760 7,764 6,769 0.75,770 1,775 1,776 1,781 4,785 1,802 3,810 27,811 2,816 1,817 1,818 1,829 2.2,834 1,836 13.167,837 7.85,838 5.889,839 2.421,840 4.304,841 1.566,842 1.036,843 4.833,844 11.905,845 3.75,846 4.388,847 4.973,848 5.57,849 6.166,850 6.333,851 6.681,852 7.075,853 7.458,854 7.55,855 0.889,856 40,857 9.872,859 4.152,860 7.716,861 18.69,863 15.015,865 2.216,866 59.833,869 1,870 153.024,871 130.86,872 134.162,874 11,877 130.86,878 164.024,879 134.162,881 2.106,882 160.557,883 80.138,884 40.765,885 4.227,886 141.253,888 153.024,889 265.022,890 11,893 154.74,894 11,897 13.052,898 181.887,899 68.367,901 153.024,902 145.162,903 130.86,906 153.024,907 27.05,908 103.81,909 18.011,910 127.151,911 153.024,912 145.162,913 130.86,915 0.578,916 0.327,917 0.178,918 0.101,919 20,920 8,921 0.104,922 5,923 1,924 1.091,925 4.098,926 221.917,927 0.091,928 22,929 116.382,933 17.218,934 7.579,935 4.139,936 1.147,937 145.162,938 21.151,939 12.324,943 3.97,945 83.805,946 429.046,947 41.5,956 45.24,957 50.69,958 0.284,959 0.621,960 0.757,961 0.876,962 0.911,963 0.911,964 4.954,965 1.421,966 5.759,967 5.71,968 4.419,969 5.075,970 1.207,971 6.512,972 4.326,973 6.165,974 1.009,975 7.276,976 3.043,977 3.892,978 4.808,980 7.248,981 3.74,982 7.462,983 1,984 8.886,985 2.565,986 5.958,987 7.311,988 0.903,989 10.323,990 5.775,991 8.793,992 1,993 10.551,994 2.275,995 6.217,996 7.852,998 11.886,999 5.975,1000 10.152,1001 0.777,1002 12.252,1003 2.136,1004 7.745,1005 9.818,1006 0.678,1007 14.473,1008 7.478,1009 11.533,1010 0.168,1011 13.979,1012 1.844,1013 8.398,1014 10.788,1016 16.43,1017 8.075,1018 12.931,1019 -0.052,1020 15.726,1021 0.421,1022 9.685,1023 12.503,1024 0.512,1025 18.843,1026 9.335,1027 3.079,1028 -0.432,1029 17.49,1030 -0.131,1031 10.552,1032 13.718,1034 20.994,1035 10.15,1036 2.729,1037 10.175,1038 19.268,1039 -1.109,1040 11.728,1041 15.31,1042 0.387,1043 23.344,1044 11.296,1045 2.508,1046 7.793,1047 21.059,1048 4.491,1049 12.711,1050 16.662,1052 25.585,1053 12.229,1054 2.367,1055 7.107,1056 22.861,1057 3.677,1058 13.84,1059 18.197,1060 0.293,1061 27.913,1062 13.324,1063 2.088,1064 6.718,1065 24.672,1066 3.411,1067 14.884,1068 19.621,1070 30.197,1071 14.32,1072 2.02,1073 5.878,1074 26.493,1075 3.231,1076 15.996,1077 21.133,1078 0.221,1079 32.518,1080 15.396,1081 1.94,1082 5.797,1083 28.321,1084 2.811,1085 17.071,1086 22.594,1088 34.82,1089 16.426,1090 9960,1091 16616,1092 20.572,1093 31.057,1094 44.516,1095 44.494,1096 44.593,1097 44.268,1098 44.209,1099 61.21,1100 3.035,1101 122.925,1102 42.175,1103 5.372,1104 5.123,1105 6.304,1106 5.111,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.95,1112 9.793,1113 1.484,1114 1.483,1115 1.486,1116 1.476,1117 1.474,1118 2.04,1119 0.101,1120 4.097,1121 1.406,1122 4.056,1123 4.099,1124 4.029,1125 3.932,1126 5.325,1127 3.949,1128 3.945,1129 3.968,1130 3.891,1131 3.856,1132 4.983,1133 3.862,1134 3.829,1135 3.862,1136 3.756,1137 3.771,1138 4.939,1139 3.763,1140 3.506,1141 3.579,1142 3.444,1143 3.292,1144 4.826,1145 3.323,1146 3.211,1147 3.283,1148 3.107,1149 3.017,1150 4.673,1151 3.029,1152 3.108,1153 3.223,1154 3.002,1155 2.813,1156 4.29,1157 2.85,1158 2.913,1159 2.96,1160 2.816,1161 2.735,1162 4.15,1163 2.73,1164 2.854,1165 2.925,1166 2.687,1167 2.735,1168 3.983,1169 2.715,1170 0.151,1171 0.104,1172 0.217,1173 0.135,1174 0.103,1175 4.541,1176 0.15,1177 3.123,1178 0.029,1179 6.502,1180 0.339,1181 4.036,1182 0.098,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.95,1188 1.97,1189 1.937,1190 2.049,1191 2.121,1192 1.17,1193 2.096,1194 1.914,1195 1.892,1196 2.003,1197 2.02,1198 1.066,1199 2.02,1200 1.838,1201 1.809,1202 1.961,1203 1.925,1204 1.032,1205 1.94,1206 1.418,1207 1.353,1208 1.569,1209 1.67,1210 0.666,1211 1.647,1212 1.157,1213 1.096,1214 1.385,1215 1.412,1216 0.353,1217 1.41,1218 0.997,1219 0.899,1220 1.266,1221 1.373,1222 0.218,1223 1.353,1224 0.886,1225 0.821,1226 1.181,1227 1.09,1228 0.218,1229 1.107,1230 0.886,1231 0.821,1232 1.181,1233 1.062,1234 0.148,1235 1.107,1236 4.111,1238 5.416,1240 6.917,1242 8.506,1244 10.142,1250 11.49,1252 0.633,1253 3.318,1254 5.799,1262 30.004,1263 70.126,1264 153.496,1265 187.159,1266 216.379,1267 225.133,1268 225.133,1269 32.925,1270 7.601,1271 111.97,1272 111.97,1273 24,1274 12.359,1275 4.585,1276 3.644,1277 40.65,1278 125,1279 113,1280 0.157,1281 185.604,1282 307.27,1283 444.635,1284 23284,1286 18.64,1287 0.69,1288 0.536,1289 18.64,1290 14.463,1291 13.17,1292 0.439,1293 0.281,1294 8.304,1295 12.711,1296 8.15,1297 6.782,1298 13.17,1299 8.417,1300 11.861,1301 0.289,1302 0.146,1303 11.861,1304 5.975,1305 9.708,1306 0.187,1307 0.077,1308 9.708,1309 3.997,1310 8.155,1311 0.122,1312 0.04,1313 8.155,1314 2.653,1315 6.785,1316 0.079,1317 0.021,1318 6.785,1319 1.81,1320 0.257,1321 82.138,1322 0.22,1323 26.667,1324 0.405,1325 142,1326 403.628,1327 156.088,1328 400.708,1329 561.22,1330 376,1331 164,1332 431.752,1333 177.506,1334 438.104,1335 636.07,1336 413,1337 5.538}
{0 CHEMBL331986,1 1.779,2 8.696,3 2.667,4 7.115,5 93.327,6 8.286,7 0.64,8 3.818,9 3.937,10 3.512,11 3.328,12 5.021,13 3.313,14 4.286,15 4.448,16 3.914,17 3.694,18 5.451,19 3.659,20 4.362,21 4.49,22 4.041,23 3.84,24 5.508,25 3.778,26 4.484,27 4.639,28 3.982,29 3.866,30 5.642,31 3.765,32 4.59,33 4.822,34 3.784,35 3.816,36 5.611,37 3.678,38 4.476,39 4.706,40 3.631,41 3.676,42 5.411,43 3.564,44 4.352,45 4.529,46 3.512,47 3.536,48 5.455,49 3.494,50 4.386,51 4.621,52 3.357,53 3.475,54 5.441,55 3.376,56 0.101,57 0.638,58 7.962,59 3.413,60 11.673,61 3.997,62 0.355,63 0.951,64 16.377,65 6.047,66 28.227,67 7.032,68 0.248,69 1.095,70 18.642,71 6.834,72 16.153,73 7.292,74 0.33,75 1.196,76 22.749,77 8.14,78 25.915,79 9.196,80 0.539,81 1.199,82 27.788,83 7.825,84 42.973,85 10.013,86 0.304,87 0.984,88 25.566,89 8.293,90 22.514,91 10.544,92 0.442,93 0.866,94 17.828,95 5.609,96 31.079,97 6.628,98 0.396,99 0.865,100 17.605,101 5.94,102 32.119,103 8.377,104 30,105 36,106 0.315,107 0.679,108 0.77,109 0.818,110 0.835,111 0.862,112 3.189,113 0.919,114 -3.48,115 -3.46,116 -3.3,119 37.5,120 1,124 2,139 3,140 2,141 3,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 3,169 1,170 5,172 3,173 4,175 4,178 4,180 1,182 6,187 2,189 4,191 1,193 4,195 1,196 2,197 3,198 3,200 4,201 2,204 2,205 1,206 1,207 2,210 1,212 3,215 3,218 2,221 4,224 1,226 3,229 3,231 2,233 1,234 4,239 1,241 2,243 1,245 2,246 2,248 1,249 1,251 2,256 2,259 1,260 1,262 2,263 2,265 2,270 2,273 673,274 15.411,275 15.411,276 15.411,277 15.411,278 15.411,279 13.408,280 18.452,281 8.781,282 16.164,283 12.188,284 12.188,285 12.188,286 12.188,287 12.188,288 9.048,289 20.988,290 3.996,291 13.273,292 3.542,293 1.491,294 0.975,295 0.707,296 0.607,297 0.457,298 3.864,300 1,301 1,302 1,303 422,304 2.739,306 44.872,307 131.939,310 88.175,314 1.214,315 20.511,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50.5,327 200,328 4.701,329 4.596,330 6.876,331 4.218,332 3.264,333 4.676,334 2.95,335 11.411,336 3.119,337 4.272,338 3.441,339 6.199,340 3.835,341 2.906,342 3.917,343 0.86,344 9.273,345 2.69,346 3.833,347 3.018,348 5.692,349 3.373,350 2.463,351 3.317,352 0.86,353 7.504,354 2.236,355 3.543,356 2.721,357 5.221,358 3.147,359 2.232,360 2.862,362 6.486,363 2.028,364 3.436,365 2.476,366 5.142,367 2.96,368 2.045,369 2.807,371 6.057,372 1.865,373 3.237,374 2.266,375 4.964,376 2.756,377 1.844,378 2.507,380 5.56,381 1.676,382 2.87,383 1.996,384 4.432,385 2.447,386 1.522,387 2.002,389 4.167,390 1.39,391 2.513,392 1.715,393 4.15,394 2.088,395 1.16,396 1.517,398 3.231,399 1.065,400 1.942,401 1.267,402 3.144,403 1.64,404 0.773,405 0.873,407 1.368,408 0.663,409 1.493,410 0.917,411 2.945,412 1.208,413 0.356,414 0.394,415 0.525,416 0.301,417 1.274,418 0.663,419 2.725,420 0.908,421 0.038,422 0.045,423 0.086,424 0.032,425 1.143,426 0.403,427 2.625,428 0.735,429 -0.183,430 -0.229,431 -0.467,432 -0.169,433 0.912,434 0.018,435 2.487,436 0.496,437 -0.407,438 -0.51,439 -0.902,440 -0.363,441 0.678,442 -0.166,443 2.272,444 0.312,445 -0.585,446 -0.684,448 -1.295,449 -0.518,450 0.578,451 -0.306,452 2.169,453 0.191,454 -0.742,455 -0.91,457 -1.868,458 -0.676,459 11,460 0.478,461 0.644,462 0.028,463 32,464 1.391,465 16.5,466 0.717,467 15.5,468 0.674,469 17.425,470 0.758,471 25,472 0.625,473 22.48,474 0.977,475 6.441,476 0.28,477 4.587,478 0.199,479 0.209,481 0.409,485 1.077,486 1.214,487 0.759,488 0.909,489 1.264,490 0.843,491 1.097,492 0.742,493 0.701,494 0.696,495 0.675,496 0.622,497 1.186,498 1.301,499 1.207,500 1.219,501 0.991,502 0.988,503 0.82,504 1.321,505 1.38,506 1.542,507 0.729,508 1.331,509 0.855,510 0.948,511 1.327,512 1.138,513 1.236,514 1.09,515 0.699,516 1.105,517 1.052,518 1.257,519 0.49,520 1.02,521 1.797,522 1.036,523 1.164,524 0.982,525 1.381,526 1.086,527 0.851,528 1.098,529 0.782,530 0.972,531 0.841,532 1.175,533 5.5,534 0.049,535 2.667,536 2.479,537 1.543,538 0.903,539 0.514,540 0.385,541 0.254,542 0.155,543 5044,544 15467,545 2.016,546 42.5,547 3,548 9,551 5,555 1.661,556 1.84,557 3.104,558 2.761,559 1,560 1,562 1,564 71.177,565 1.779,566 3.831,567 4.346,568 4.615,569 4.715,570 4.865,571 2.459,572 4.35,573 4.497,574 3.229,575 816.977,576 7.763,577 9129.84,578 1,579 1,580 1,581 1,582 212.877,583 1.538,584 4.428,585 0.22,586 0.008,587 0.074,588 0.065,589 0.045,590 0.033,591 0.019,592 0.015,593 0.013,594 0.011,595 0.505,596 0.17,597 1,598 0.982,599 106.012,600 -0.176,601 -0.03,602 0.04,603 0.061,604 -0.305,605 0.065,606 0.039,607 0.321,608 0.263,609 0.332,610 0.206,611 0.33,612 -0.207,613 -0.107,614 -0.032,615 -0.004,616 -0.161,617 -0.028,618 0.04,619 -0.177,620 -0.195,621 -0.334,622 0.105,623 -0.346,624 -0.021,625 0.102,626 -0.174,627 -0.053,628 -0.245,629 -0.105,630 0.132,631 -0.198,632 0.045,633 -0.152,634 0.223,635 0.047,636 -0.363,637 -0.073,638 -0.328,639 -0.109,640 -0.306,641 -0.191,642 0.111,643 -0.213,644 -0.065,645 -0.189,646 0.087,647 -0.221,648 1.522,649 1.961,650 0.652,651 16.185,652 1.014,653 1.133,654 2.25,655 5.06,656 0.679,657 3.258,658 3.611,659 3.912,660 4.205,661 4.394,662 4.511,663 4.554,664 4.635,665 4.682,666 4.644,667 5.283,668 0.647,669 331.44,670 3.258,671 4.812,672 5.68,673 6.581,674 7.467,675 8.374,676 9.267,677 10.177,678 11.074,679 11.985,680 12.5,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,716 2,718 40,719 16,720 1,721 25,723 42,724 15,725 12,726 3,727 3,729 3,730 4,734 1,741 12,742 3,753 1,754 1,757 17,758 6,759 5,760 8,761 1,764 5,769 0.667,770 2,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 3,810 23,811 2,818 2,819 1,829 5,834 2,836 12.5,837 8.067,838 5.139,839 1.999,840 3.206,841 1.455,842 0.998,843 4.454,844 10.247,845 3.526,846 4.216,847 4.865,848 5.509,849 6.031,850 6.372,851 6.712,852 7.12,853 7.353,854 7.601,855 0.833,856 38,857 8.403,859 3.485,860 7.775,861 15.809,863 12.51,865 2.275,866 52.333,869 1,870 141.253,871 116.1,872 116.151,874 22,876 32.22,877 83.88,878 163.253,879 116.151,880 30.591,882 94.223,883 35.286,884 57.703,885 4.227,886 173.473,888 141.253,889 200.031,890 22,891 32.22,893 141.253,894 22,897 30.347,898 136.113,899 33.571,900 32.22,901 141.253,902 138.151,903 116.1,906 141.253,907 57.08,908 59.02,909 16.786,910 121.365,911 141.253,912 138.151,913 116.1,915 0.585,916 0.359,917 0.199,918 0.104,919 18,920 9,921 0.095,922 4,923 1,924 1.133,925 3.384,926 187.546,927 0.133,928 15,929 104.042,930 1,933 16.079,934 6.371,935 3.006,936 1.403,937 121.365,938 5.633,939 8.212,940 3.238,943 4.807,945 82.58,946 395.504,947 33,956 40.542,957 45.322,958 0.334,959 0.72,960 0.817,961 0.867,962 0.886,963 0.914,964 4.771,965 1.16,966 5.694,967 4.167,968 4.29,969 4.902,970 3.062,971 6.55,972 4.133,973 6.021,974 0.773,975 7.286,976 3.231,977 4.007,978 4.913,980 7.526,981 3.799,982 7.364,983 0.356,984 8.973,985 1.368,986 5.932,987 7.232,988 5.041,989 10.641,990 5.651,991 8.744,992 0.038,993 10.714,994 0.525,995 6.431,996 8.04,998 12.433,999 6.107,1000 10.154,1001 -0.183,1002 12.49,1003 0.086,1004 7.865,1005 9.874,1006 7.186,1007 15.09,1008 7.486,1009 11.586,1010 -0.407,1011 14.292,1012 -0.467,1013 8.726,1014 11.062,1016 17.244,1017 8.307,1018 13.036,1019 -0.585,1020 16.113,1021 -0.902,1022 9.978,1023 12.707,1024 9.348,1025 19.744,1026 9.513,1027 3.264,1028 -0.742,1029 17.95,1030 -1.295,1031 11.006,1032 14.079,1034 22.054,1035 10.502,1036 2.906,1037 11.411,1038 19.801,1039 -1.868,1040 12.193,1041 15.65,1042 11.511,1043 24.501,1044 11.647,1045 2.463,1046 9.273,1047 21.662,1048 4.676,1049 13.296,1050 17.109,1052 26.879,1053 12.71,1054 2.232,1055 7.504,1056 23.534,1057 3.917,1058 14.463,1059 18.653,1060 13.675,1061 29.31,1062 13.838,1063 2.045,1064 6.486,1065 25.413,1066 3.317,1067 15.601,1068 20.153,1070 31.716,1071 14.935,1072 1.844,1073 6.057,1074 27.298,1075 2.862,1076 16.764,1077 21.689,1078 15.838,1079 34.144,1080 16.058,1081 1.522,1082 5.56,1083 29.19,1084 2.807,1085 17.919,1086 23.208,1088 36.563,1089 17.172,1090 5030,1091 8932,1092 16.126,1093 27.154,1094 37.279,1095 40.632,1096 39.93,1097 37.103,1098 37.202,1099 49.835,1100 9.34,1101 111.339,1102 34.129,1103 5.493,1104 6.596,1105 6.445,1106 5.379,1107 5.264,1108 7.676,1109 5.9,1110 18.576,1111 5.119,1112 13.287,1113 1.491,1114 1.625,1115 1.597,1116 1.484,1117 1.488,1118 1.993,1119 0.374,1120 4.454,1121 1.365,1122 4.111,1123 4.151,1124 4.189,1125 4.008,1126 5.319,1127 4.009,1128 3.891,1129 3.903,1130 3.907,1131 3.813,1132 4.981,1133 3.813,1134 3.443,1135 3.52,1136 3.518,1137 3.248,1138 4.913,1139 3.253,1140 3.32,1141 3.367,1142 3.195,1143 3.031,1144 4.738,1145 3.051,1146 3.153,1147 3.248,1148 3.099,1149 2.924,1150 4.601,1151 2.891,1152 3.126,1153 3.231,1154 2.975,1155 2.861,1156 4.155,1157 2.85,1158 3.014,1159 3.143,1160 2.878,1161 2.755,1162 4.091,1163 2.747,1164 2.864,1165 2.911,1166 2.776,1167 2.703,1168 3.86,1169 2.714,1170 0.188,1171 0.184,1172 0.275,1173 0.169,1174 0.131,1175 4.701,1176 0.187,1177 4.596,1178 0.118,1179 6.876,1180 0.456,1181 4.218,1182 0.125,1183 3.264,1184 4.676,1185 2.95,1186 11.411,1187 3.119,1188 1.871,1189 1.862,1190 1.938,1191 2.01,1192 1.085,1193 1.972,1194 1.825,1195 1.789,1196 1.886,1197 1.962,1198 1.011,1199 1.963,1200 1.533,1201 1.484,1202 1.679,1203 1.717,1204 0.715,1205 1.724,1206 1.237,1207 1.178,1208 1.592,1209 1.566,1210 0.586,1211 1.571,1212 1.133,1213 1.04,1214 1.536,1215 1.436,1216 0.557,1217 1.473,1218 1.081,1219 0.99,1220 1.31,1221 1.414,1222 0.35,1223 1.404,1224 0.945,1225 0.826,1226 1.263,1227 1.35,1228 0.166,1229 1.342,1230 0.865,1231 0.811,1232 1.1,1233 1.024,1235 1.072,1236 3.932,1238 5.273,1239 2.398,1240 6.812,1241 4.844,1242 8.445,1243 7.034,1244 10.126,1246 5.224,1250 11.616,1254 10.689,1255 1.511,1262 25.885,1263 71.177,1264 153.228,1265 173.858,1266 184.612,1267 188.612,1268 194.612,1269 31.293,1270 7.041,1271 112.07,1272 137.37,1273 17,1274 12.503,1275 4.087,1276 3.17,1277 36.689,1278 73,1279 70,1280 0.254,1281 165.078,1282 270.89,1283 394.551,1284 9570,1286 16.56,1287 0.72,1288 0.601,1289 16.914,1290 13.822,1291 11.028,1292 0.441,1293 0.306,1294 6.765,1295 10.019,1296 6.435,1297 5.403,1298 11.437,1299 7.659,1300 9.998,1301 0.278,1302 0.165,1303 10.64,1304 5.941,1305 8.593,1306 0.175,1307 0.095,1308 9.415,1309 4.636,1310 7.466,1311 0.113,1312 0.051,1313 8.406,1314 3.397,1315 5.502,1316 0.069,1317 0.029,1318 6.491,1319 2.292,1320 0.387,1321 74.286,1322 0.249,1323 22.126,1324 0.73,1325 122,1326 384.579,1327 162.429,1328 389.874,1329 539.73,1330 366,1331 146,1332 390.411,1333 183.58,1334 413.272,1335 605.18,1336 385,1337 5.109}
{0 CHEMBL33208,1 1.693,2 11,3 1.343,4 1.804,5 99.01,6 7.748,7 0.607,8 3.954,9 4.079,10 3.538,11 3.363,12 5.172,13 3.395,14 4.434,15 4.609,16 3.867,17 3.699,18 5.606,19 3.721,20 4.528,21 4.675,22 3.993,23 3.847,24 5.724,25 3.856,26 4.687,27 4.874,28 3.951,29 3.888,30 5.851,31 3.856,32 4.794,33 5.011,34 3.756,35 3.865,36 5.841,37 3.796,38 4.671,39 4.895,40 3.501,41 3.783,42 5.627,43 3.66,44 4.688,45 5.009,46 3.43,47 3.638,48 5.506,49 3.507,50 4.375,51 4.63,52 3.479,53 3.453,54 5.388,55 3.407,56 0.132,57 0.699,58 9.272,59 3.421,60 13.527,61 4.581,62 0.488,63 1.001,64 17.93,65 5.703,66 36.235,67 7.462,68 0.472,69 1.174,70 17.817,71 6.054,72 26.346,73 8.363,74 0.508,75 1.244,76 22.366,77 7.627,78 43.061,79 10.611,80 0.863,81 1.206,82 28.133,83 8.021,84 59.569,85 11.077,86 0.532,87 1.101,88 23.883,89 7.734,90 42.5,91 11.141,92 0.539,93 0.991,94 28.354,95 7.53,96 48.639,97 12.35,98 0.453,99 0.792,100 19.108,101 5.314,102 33.895,103 8.103,104 35,105 39,106 0.291,107 0.637,108 0.737,109 0.772,110 0.783,111 0.814,112 3.304,113 0.832,114 -2.41,115 -2.44,116 -2.39,119 37,124 3,125 1,139 3,140 2,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 5,172 3,173 3,175 3,178 1,180 1,181 2,182 7,185 1,187 4,191 1,192 2,193 3,195 3,196 3,197 1,198 1,200 2,201 1,204 1,205 1,207 1,210 4,211 1,212 1,214 1,215 3,218 1,221 2,224 1,229 2,234 4,238 1,239 1,240 1,243 1,245 2,246 7,251 2,256 2,259 1,260 1,265 1,270 1,273 920,274 17.643,275 17.643,276 17.643,277 17.643,278 17.643,279 15.582,280 26.188,281 10.181,282 18.445,283 13.619,284 13.619,285 13.619,286 13.619,287 13.619,288 10.281,289 37.292,290 4.557,291 14.636,292 3.83,293 1.814,294 1.235,295 1.028,296 0.968,297 0.788,298 3.985,300 1,301 1,302 1,303 602,304 3.082,307 229.767,311 120.969,314 1.538,315 26.203,318 1,319 0.83,320 1,321 0.8,323 1,324 1,325 0.8,326 58,327 286,328 4.541,329 3.379,330 6.523,331 4.038,332 3.081,333 4.491,334 0.86,335 10.257,336 2.951,337 4.42,338 3.121,339 6.502,340 4.006,341 3.058,342 4.104,343 0.86,344 10.174,345 2.894,346 3.785,347 2.712,348 5.381,349 3.4,350 2.452,351 3.238,352 0.86,353 7.048,354 2.321,355 3.555,356 2.555,357 5.218,358 3.182,359 2.22,360 2.879,361 0.657,362 6.571,363 2.13,364 3.427,365 2.428,366 5.19,367 2.972,368 2.061,369 2.811,371 6.118,372 1.883,373 3.356,374 2.161,375 5.062,376 2.961,377 2.031,378 2.678,380 5.801,381 1.867,382 3.355,383 2.031,384 4.965,385 2.871,386 1.947,387 2.604,389 5.738,390 1.795,391 2.454,392 1.951,393 3.811,394 2.01,395 1.173,396 1.435,398 2.565,399 0.977,400 2.236,401 1.105,402 3.71,403 1.944,404 1.008,405 1.222,407 2.532,408 0.94,409 1.886,410 1.057,411 3.227,412 1.633,413 0.717,414 0.811,415 1.598,416 0.654,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.43,426 0.875,427 2.744,428 1.159,429 0.315,430 0.339,431 0.416,432 0.264,433 1.33,434 0.247,435 2.58,436 0.941,437 0.021,438 0.027,439 0.049,440 0.019,441 0.976,442 0.046,443 2.492,444 0.526,445 -0.392,446 -0.471,448 -0.767,449 -0.355,450 0.834,451 -0.294,452 2.439,453 0.456,454 -0.461,455 -0.583,457 -1.154,458 -0.419,459 11.9,460 0.458,461 0.622,462 0.024,463 37,464 1.423,465 19,466 0.731,467 18,468 0.692,469 18.102,470 0.696,471 28.9,472 0.628,473 28.181,474 1.084,475 7.713,476 0.297,477 4.837,478 0.186,479 0.193,481 0.378,485 1.051,486 1.458,487 0.791,488 1.187,489 1.184,490 0.953,491 1.296,492 0.806,493 0.779,494 0.703,495 0.851,496 0.655,497 0.907,498 1.368,499 0.902,500 1.176,501 0.846,502 1.05,503 0.837,504 1.213,505 0.995,506 1.321,507 0.742,508 1.216,509 1.457,510 0.829,511 1.295,512 0.95,513 1.257,514 1.09,515 1.047,516 1.188,517 1.323,518 1.329,519 1.107,520 1.396,521 0.612,522 0.661,523 0.691,524 0.693,525 0.592,526 0.693,527 0.898,528 0.833,529 0.719,530 0.742,531 0.685,532 0.7,533 6,534 0.206,535 2.889,536 2.063,537 2.182,538 0.653,539 0.384,540 0.373,541 0.188,542 0.278,543 7796,544 24070,545 2.014,546 43.5,548 14,550 1,551 5,555 1.688,556 1.857,557 3.402,558 2.634,559 1,560 1,564 77.894,565 1.693,566 3.71,567 4.289,568 4.496,569 4.556,570 4.735,571 2.844,572 4.162,573 4.676,574 3.56,575 1157.13,576 8.087,577 14653.3,579 1,582 254.084,583 1.502,584 4.615,585 0.214,586 0.01,587 0.074,588 0.048,589 0.056,590 0.021,591 0.017,592 0.016,593 0.008,594 0.012,595 0.476,596 0.17,597 1,598 0.998,599 127.934,600 -0.157,601 -0.197,602 0.031,603 -0.095,604 -0.248,605 0.008,606 -0.109,607 0.275,608 0.168,609 0.315,610 0.088,611 0.293,612 0.067,613 -0.182,614 -0.035,615 -0.121,616 -0.005,617 -0.096,618 0.088,619 -0.129,620 -0.084,621 -0.29,622 0.148,623 -0.239,624 -0.225,625 0.117,626 -0.291,627 0.022,628 -0.229,629 -0.138,630 -0.16,631 -0.221,632 -0.377,633 -0.296,634 -0.282,635 -0.382,636 0.087,637 0.141,638 0.358,639 0.258,640 0.18,641 0.363,642 0.064,643 0.063,644 0.299,645 0.238,646 0.198,647 0.311,648 1.569,649 1.895,650 0.615,651 22.059,652 1.017,653 1.142,654 1.177,655 1.386,656 0.646,657 3.367,658 3.689,659 3.97,660 4.234,661 4.443,662 4.431,663 4.466,664 4.511,665 4.615,666 4.654,667 6.467,668 0.63,669 356.43,670 3.367,671 4.905,672 5.759,673 6.642,674 7.512,675 8.396,676 9.27,677 10.154,678 11.029,679 11.913,680 13,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 3,718 46,719 17,720 1,721 28,723 48,724 17,725 13,726 4,727 2,729 3,730 4,741 13,742 4,753 1,754 1,757 20,758 9,759 5,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 1,817 1,818 3,829 6.5,834 3,836 14,837 9.1,838 5.944,839 2.254,840 3.363,841 1.464,842 0.971,843 5.489,844 10.618,845 3.624,846 4.277,847 4.903,848 5.509,849 6.08,850 6.317,851 6.599,852 6.901,853 7.304,854 7.402,855 1,856 43,857 9.491,859 3.885,860 7.827,861 17.706,863 13.668,865 2.327,866 60.5,870 176.567,871 102.419,872 134.162,874 33,877 102.419,878 209.566,879 134.162,880 32.649,881 2.106,882 94.223,883 80.138,884 68.008,885 4.227,886 164.795,888 176.567,889 236.581,890 33,893 178.282,894 33,897 13.052,898 153.446,899 68.367,901 176.567,902 167.161,903 102.419,906 176.567,907 32.294,908 70.125,909 18.011,910 149.151,911 176.567,912 167.161,913 102.419,915 0.574,916 0.355,917 0.202,918 0.109,919 18,920 9,921 0.125,922 6,923 1,924 1.125,925 3.713,926 213.724,927 0.125,928 16,929 114.211,933 18.29,934 7.803,935 3.865,936 1.086,937 167.161,938 7.239,939 12.283,943 3.833,945 83.805,946 446.147,947 36.5,956 46.778,957 52.524,958 0.307,959 0.672,960 0.776,961 0.814,962 0.825,963 0.857,964 4.854,965 1.173,966 5.753,967 5.738,968 4.369,969 4.963,970 1.841,971 6.575,972 4.24,973 6.083,974 1.008,975 7.322,976 2.565,977 4.007,978 4.913,980 7.496,981 3.848,982 7.411,983 0.717,984 8.986,985 2.532,986 5.979,987 7.259,988 1.538,989 10.577,990 5.753,991 8.776,992 0.396,993 10.705,994 1.598,995 6.399,996 7.989,998 12.288,999 6.133,1000 10.169,1001 0.315,1002 12.458,1003 0.603,1004 7.854,1005 9.84,1006 1.278,1007 14.899,1008 7.54,1009 11.582,1010 0.021,1011 14.235,1012 0.416,1013 8.643,1014 10.948,1016 16.957,1017 8.282,1018 13.011,1019 -0.392,1020 16.03,1021 0.049,1022 9.893,1023 12.594,1024 1.053,1025 19.398,1026 9.491,1027 3.081,1028 -0.461,1029 17.839,1030 -0.767,1031 10.861,1032 13.894,1034 21.609,1035 10.409,1036 3.058,1037 10.257,1038 19.66,1039 -1.154,1040 12.03,1041 15.449,1042 0.858,1043 23.981,1044 11.535,1045 2.452,1046 10.174,1047 21.491,1048 4.491,1049 13.081,1050 16.844,1052 26.257,1053 12.536,1054 2.22,1055 7.048,1056 23.329,1057 4.104,1058 14.218,1059 18.358,1060 0.691,1061 28.602,1062 13.63,1063 2.061,1064 6.571,1065 25.174,1066 3.238,1067 15.307,1068 19.8,1070 30.905,1071 14.669,1072 2.031,1073 6.118,1074 27.024,1075 2.879,1076 16.432,1077 21.298,1078 0.549,1079 33.239,1080 15.749,1081 1.947,1082 5.801,1083 28.879,1084 2.811,1085 17.539,1086 22.763,1088 35.554,1089 16.806,1090 7690,1091 13637,1092 18.205,1093 29.728,1094 40.809,1095 42.203,1096 43.609,1097 40.813,1098 40.963,1099 54.182,1100 6.475,1101 118.942,1102 38.074,1103 5.372,1104 5.379,1105 6.066,1106 5.113,1107 5.081,1108 7.491,1109 1.72,1110 17.178,1111 4.951,1112 14.929,1113 1.457,1114 1.507,1115 1.557,1116 1.458,1117 1.463,1118 1.935,1119 0.231,1120 4.248,1121 1.36,1122 4.055,1123 4.098,1124 4.03,1125 3.926,1126 5.325,1127 3.946,1128 3.934,1129 3.947,1130 3.898,1131 3.834,1132 4.984,1133 3.846,1134 3.523,1135 3.593,1136 3.458,1137 3.3,1138 4.973,1139 3.332,1140 3.308,1141 3.37,1142 3.187,1143 3.079,1144 4.824,1145 3.098,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.207,1153 3.286,1154 3.003,1155 2.899,1156 4.466,1157 2.899,1158 3.109,1159 3.224,1160 2.981,1161 2.816,1162 4.318,1163 2.85,1164 3.028,1165 3.133,1166 2.837,1167 2.772,1168 4.146,1169 2.766,1170 0.162,1171 0.121,1172 0.233,1173 0.144,1174 0.11,1175 4.541,1176 0.16,1177 3.379,1178 0.031,1179 6.523,1180 0.366,1181 4.038,1182 0.105,1183 3.081,1184 4.491,1185 0.86,1186 10.257,1187 2.951,1188 1.968,1189 1.935,1190 2.029,1191 2.121,1192 1.172,1193 2.094,1194 1.883,1195 1.869,1196 1.958,1197 2.006,1198 1.062,1199 1.991,1200 1.428,1201 1.366,1202 1.619,1203 1.694,1204 0.689,1205 1.67,1206 1.244,1207 1.184,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.568,1215 1.527,1216 0.57,1217 1.536,1218 1.164,1219 1.077,1220 1.501,1221 1.49,1222 0.521,1223 1.507,1224 1.014,1225 0.913,1226 1.326,1227 1.379,1228 0.342,1229 1.362,1230 0.989,1231 0.89,1232 1.263,1233 1.288,1234 0.09,1235 1.306,1236 4.043,1238 5.361,1240 6.889,1242 8.517,1244 10.197,1246 4.727,1250 11.479,1252 0.514,1253 3.278,1254 16.061,1262 28.96,1263 77.894,1264 170.646,1265 197.29,1266 206.8,1267 209.555,1268 217.819,1269 38.998,1270 7.255,1271 130.43,1272 130.43,1273 18,1274 12.447,1275 4.17,1276 3.248,1277 44.513,1278 104,1279 90,1280 0.214,1281 180.995,1282 304.13,1283 433.389,1284 13420,1286 18.681,1287 0.719,1288 0.567,1289 18.681,1290 14.738,1291 12.55,1292 0.448,1293 0.277,1294 7.558,1295 11.762,1296 7.306,1297 6.143,1298 12.55,1299 7.769,1300 10.98,1301 0.282,1302 0.14,1303 10.98,1304 5.449,1305 9.353,1306 0.18,1307 0.073,1308 9.353,1309 3.819,1310 8.033,1311 0.118,1312 0.038,1313 8.033,1314 2.591,1315 6.45,1316 0.077,1317 0.021,1318 6.45,1319 1.755,1320 0.339,1321 80.946,1322 0.234,1323 25.137,1324 0.579,1325 134,1326 455.099,1327 152.516,1328 429.878,1329 588.53,1330 404,1331 158,1332 434.115,1333 177.043,1334 442.054,1335 642.13,1336 409,1337 5.482}
{0 CHEMBL332481,1 1.447,2 9.182,3 3.81,4 14.516,5 92.615,6 6.532,7 0.522,8 3.888,9 4.035,10 3.323,11 3.375,12 4.959,13 3.334,14 4.405,15 4.617,16 3.639,17 3.731,18 5.407,19 3.657,20 4.594,21 4.813,22 3.737,23 3.873,24 5.542,25 3.794,26 4.679,27 4.89,28 3.715,29 3.945,30 5.661,31 3.843,32 4.772,33 4.998,34 3.644,35 4.02,36 5.639,37 3.875,38 4.889,39 5.169,40 3.485,41 4.001,42 5.664,43 3.802,44 4.881,45 5.221,46 3.374,47 3.822,48 5.56,49 3.602,50 4.582,51 4.896,52 3.232,53 3.503,54 5.512,55 3.342,56 0.059,57 0.667,58 10.884,59 4.032,60 11.039,61 5.959,62 0.222,63 0.987,64 18.744,65 7.045,66 25.778,67 10.04,68 0.187,69 1.15,70 22.733,71 7.833,72 24.55,73 11.698,74 0.296,75 1.238,76 24.919,77 8.739,78 37.792,79 12.714,80 0.227,81 1.333,82 26.991,83 10.011,84 29.218,85 14.715,86 0.228,87 1.374,88 30.35,89 10.847,90 33.795,91 16.561,92 0.21,93 1.212,94 30.367,95 10.177,96 32.459,97 16.1,98 0.414,99 0.935,100 23.262,101 5.993,102 46.272,103 10.296,104 36,105 31,106 0.253,107 0.573,108 0.742,109 0.789,110 0.789,111 0.789,112 3.147,113 1.008,114 -4.5,115 -4.43,116 -4.17,119 37,120 3,121 3,125 1,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 5,172 3,173 3,175 1,178 11,180 1,182 6,187 1,189 12,191 1,193 5,195 1,196 1,197 1,198 2,200 2,201 13,204 2,205 1,207 5,212 3,215 12,218 3,221 5,226 3,229 6,231 3,234 4,239 4,241 1,243 4,245 2,246 4,248 1,249 1,251 4,254 1,256 4,265 2,270 2,273 628,274 14.834,275 14.834,276 14.834,277 14.834,278 14.834,279 13.281,280 21.466,281 8.783,282 15.217,283 11.18,284 11.18,285 11.18,286 11.18,287 11.18,288 8.725,289 25.817,290 3.899,291 11.719,292 4.077,293 2.239,294 1.272,295 1.006,296 1.006,297 1.006,298 3.805,300 1,301 1,302 1,303 409,304 2.915,307 153.593,314 1.289,315 17.029,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 47,327 202,328 4.431,329 3.345,330 6.53,331 4.055,332 3.076,333 4.114,334 0.86,335 10.304,336 3.012,337 4.228,338 3.074,339 6.088,340 3.814,341 2.856,342 3.875,343 0.68,344 8.843,345 2.741,346 3.602,347 2.546,348 5.284,349 3.238,350 2.283,351 2.935,353 6.731,354 2.18,355 3.364,356 2.358,357 5.19,358 3.061,359 2.061,360 2.664,362 6.118,363 2.061,364 3.355,365 2.2,366 4.922,367 2.942,368 2.003,369 2.604,371 5.655,372 1.871,373 2.824,374 1.957,375 4.151,376 2.367,377 1.447,378 1.953,380 3.687,381 1.329,382 2.411,383 1.538,384 3.863,385 2.257,386 1.344,387 1.409,389 2.899,390 1.212,391 1.767,392 1.019,393 3.045,394 1.663,395 0.695,396 0.727,398 1.086,399 0.668,400 1.618,401 0.648,402 2.875,403 1.396,404 0.396,405 0.466,407 0.882,408 0.396,409 1.576,410 0.456,411 2.859,412 1.347,413 0.394,414 0.452,415 0.603,416 0.374,417 1.128,418 0.135,419 2.359,420 0.886,421 -0.069,422 -0.077,423 -0.114,424 -0.065,425 0.799,426 -0.313,427 2.329,428 0.401,429 -0.513,430 -0.62,431 -1.234,432 -0.465,433 0.65,434 -0.319,435 2.294,436 0.377,437 -0.571,438 -0.66,439 -1.249,440 -0.544,441 0.608,442 -0.61,443 1.916,444 0.306,445 -0.694,446 -0.878,448 -1.641,449 -0.694,450 0.273,451 -0.7,452 1.649,453 0.008,454 -0.944,455 -1.068,457 -1.978,458 -0.894,459 10.433,460 0.474,461 0.503,462 0.023,463 27,464 1.227,465 13.5,466 0.614,467 13.5,468 0.614,469 19.356,470 0.88,471 24.967,472 0.543,473 18.048,474 0.82,475 5.007,476 0.228,477 5.576,478 0.253,479 0.22,481 0.335,485 1.045,486 1.32,487 0.97,488 1.163,489 1.272,490 1.066,491 0.825,492 0.914,493 0.813,494 0.986,495 0.537,496 0.923,497 1.213,498 1.097,499 0.925,500 1.015,501 0.891,502 0.952,503 1.411,504 1.025,505 1.193,506 1.127,507 1.087,508 1.146,509 1.108,510 1.206,511 1.234,512 1.288,513 0.903,514 1.292,515 0.688,516 1.131,517 1.089,518 1.221,519 0.796,520 1.209,521 0.375,522 0.954,523 0.638,524 0.896,525 0.441,526 0.815,527 0.968,528 0.908,529 0.943,530 0.832,531 1.096,532 0.866,533 5,534 0.037,535 2.444,536 1.813,537 1.538,538 0.729,539 0.547,540 0.326,541 0.189,542 0.152,543 4271,544 10209,545 1.944,546 52.2,547 12,548 4,550 1,551 4,553 3,555 1.649,556 1.784,557 3.15,558 1.825,560 1,564 66.558,565 1.447,566 3.285,567 4.251,568 4.518,569 4.518,570 4.518,571 2.613,572 4.096,573 4.43,574 3.276,575 756.804,576 7.629,577 8269.81,579 1,581 1,582 254.084,583 1.529,584 4.365,585 0.217,586 0.005,587 0.079,588 0.053,589 0.048,590 0.025,591 0.024,592 0.016,593 0.011,594 0.014,595 0.492,597 1,598 1.283,599 100.538,600 -0.086,601 -0.017,602 0.019,603 0.009,604 -0.205,605 0.03,606 0.219,607 0.197,608 0.174,609 0.105,610 0.287,611 0.123,612 -0.072,613 -0.016,614 0.07,615 0.05,616 -0.015,617 0.075,618 -0.142,619 0.072,620 -0.19,621 -0.063,622 -0.065,623 -0.126,624 -0.173,625 -0.151,626 -0.274,627 -0.201,628 -0.107,629 -0.248,630 -0.04,631 -0.177,632 -0.157,633 -0.199,634 -0.077,635 -0.195,636 0.189,637 -0.154,638 0.288,639 0.052,640 0.204,641 0.162,642 0.199,643 0.003,644 0.066,645 0.026,646 0.115,647 0.032,648 1.462,649 2.329,650 0.545,651 17.14,652 0.991,653 1.138,654 3.273,655 10.713,656 0.632,657 3.178,658 3.466,659 3.714,660 3.951,661 4.143,662 4.094,663 4.127,664 4.143,665 4.174,666 4.111,667 5.35,668 0.588,669 300.45,670 3.178,671 4.691,672 5.525,673 6.395,674 7.252,675 8.126,676 8.99,677 9.864,678 10.731,679 11.606,680 8.7,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,718 46,719 12,720 1,721 23,723 47,724 17,725 10,726 4,727 2,729 2,730 2,734 3,739 3,741 10,742 7,754 1,757 24,758 5,759 4,760 5,764 4,769 1,770 1,776 1,781 2,802 2,806 3,810 22,811 2,816 4,818 1,829 2.2,834 1,836 12.333,837 8.983,838 5.167,839 3.113,840 2.245,841 1.348,842 0.95,843 5.613,844 8.7,845 3.401,846 3.989,847 4.538,848 5.075,849 5.583,850 5.69,851 5.904,852 6.211,853 6.551,854 6.802,855 1,856 34,857 8.091,859 3.227,860 7.644,861 15.62,863 12.175,865 2.144,866 47.167,869 1,870 235.422,871 88.884,872 99.365,874 11,877 88.884,878 246.422,879 99.365,880 26.476,881 12.196,882 84.747,883 45.342,884 38.033,885 4.227,886 223.651,888 235.422,889 188.25,890 11,893 200.109,894 46.313,897 49.618,898 105.061,899 33.571,901 235.422,902 110.365,903 88.884,906 235.422,907 34.409,908 54.476,910 110.365,911 235.422,912 110.365,913 88.884,915 0.562,916 0.343,917 0.195,918 0.111,919 13,920 7,921 0.128,922 6,924 1,925 3.28,926 164.216,928 12,929 90.107,933 16.563,934 7.455,935 3.902,937 110.365,938 6.061,939 8.052,943 6.212,945 65.794,946 434.672,947 29,956 45.571,957 52.355,958 0.262,959 0.595,960 0.77,961 0.818,962 0.818,963 0.818,964 4.615,965 0.695,966 5.509,967 2.899,968 4.143,969 4.673,970 1.225,971 6.312,972 4.064,973 5.822,974 0.396,975 7.067,976 1.086,977 3.761,978 4.559,980 7.209,981 3.664,982 7.133,983 0.394,984 8.723,985 0.882,986 5.727,987 6.878,988 0.925,989 10.281,990 5.59,991 8.481,992 -0.069,993 10.434,994 0.603,995 6.133,996 7.524,998 11.966,999 5.98,1000 9.858,1001 -0.513,1002 12.18,1003 -0.114,1004 7.583,1005 9.354,1006 0.697,1007 14.563,1008 7.398,1009 11.255,1010 -0.571,1011 13.95,1012 -1.234,1013 8.36,1014 10.356,1016 16.595,1017 8.154,1018 12.667,1019 -0.694,1020 15.736,1021 -1.249,1022 9.602,1023 11.975,1024 0.525,1025 19.019,1026 9.37,1027 3.076,1028 -0.944,1029 17.537,1030 -1.641,1031 10.554,1032 13.16,1034 21.207,1035 10.3,1036 2.856,1037 10.304,1038 19.348,1039 -1.978,1040 11.711,1041 14.675,1042 0.395,1043 23.564,1044 11.434,1045 2.283,1046 8.843,1047 21.168,1048 4.114,1049 12.747,1050 15.958,1052 25.823,1053 12.447,1054 2.061,1055 6.731,1056 22.995,1057 3.875,1058 13.87,1059 17.419,1060 0.298,1061 28.157,1062 13.549,1063 2.003,1064 6.118,1065 24.828,1066 2.935,1067 14.944,1068 18.755,1070 30.449,1071 14.6,1072 1.447,1073 5.655,1074 26.667,1075 2.664,1076 16.056,1077 20.187,1078 0.224,1079 32.774,1080 15.691,1081 1.344,1082 3.687,1083 28.51,1084 2.604,1085 17.147,1086 21.552,1088 35.083,1089 16.761,1090 4441,1091 6991,1092 14.622,1093 29.091,1094 33.136,1095 33.725,1096 35.7,1097 33.152,1098 33.113,1099 42.399,1100 3.08,1101 93.616,1102 31.688,1103 5.206,1104 5.345,1105 6.289,1106 5.124,1107 5.076,1108 7.114,1109 1.72,1110 17.225,1111 5.012,1112 13.114,1113 1.441,1114 1.466,1115 1.552,1116 1.441,1117 1.44,1118 1.843,1119 0.134,1120 4.07,1121 1.378,1122 4.018,1123 4.046,1124 3.966,1125 3.949,1126 5.291,1127 3.949,1128 3.831,1129 3.882,1130 3.792,1131 3.674,1132 4.979,1133 3.697,1134 3.478,1135 3.557,1136 3.295,1137 3.342,1138 4.81,1139 3.318,1140 3.472,1141 3.542,1142 3.284,1143 3.266,1144 4.46,1145 3.259,1146 3.355,1147 3.437,1148 3.172,1149 3.191,1150 4.339,1151 3.175,1152 3.122,1153 3.228,1154 2.957,1155 2.889,1156 4.069,1157 2.893,1158 2.974,1159 3.09,1160 2.8,1161 2.659,1162 3.95,1163 2.684,1164 2.806,1165 2.899,1166 2.644,1167 2.565,1168 3.747,1169 2.57,1170 0.193,1171 0.145,1172 0.284,1173 0.176,1174 0.134,1175 4.431,1176 0.179,1177 3.345,1178 0.037,1179 6.53,1180 0.448,1181 4.055,1182 0.131,1183 3.076,1184 4.114,1185 0.86,1186 10.304,1187 3.012,1188 1.982,1189 1.961,1190 2.09,1191 2.073,1192 1.32,1193 2.078,1194 1.761,1195 1.716,1196 1.872,1197 1.949,1198 1.032,1199 1.927,1200 1.513,1201 1.44,1202 1.822,1203 1.705,1204 1.012,1205 1.748,1206 1.461,1207 1.387,1208 1.792,1209 1.702,1210 0.933,1211 1.736,1212 1.363,1213 1.287,1214 1.636,1215 1.572,1216 0.692,1217 1.604,1218 1.074,1219 0.989,1220 1.345,1221 1.384,1222 0.372,1223 1.38,1224 0.888,1225 0.774,1226 1.224,1227 1.258,1228 0.249,1229 1.267,1230 0.76,1231 0.676,1232 1.125,1233 1.067,1234 0.114,1235 1.08,1236 3.85,1238 5.142,1240 6.642,1242 8.246,1244 9.901,1246 6.294,1250 11.479,1252 3.24,1254 5.829,1262 27.068,1263 66.558,1264 151.087,1265 195.555,1266 207.819,1267 207.819,1268 207.819,1269 36.196,1270 6.455,1271 87.05,1272 87.05,1273 12,1274 12.147,1275 3.7,1276 2.807,1277 42.075,1278 70,1279 70,1280 0.302,1281 172.662,1282 293.09,1283 413.056,1284 4346,1286 16.113,1287 0.732,1288 0.614,1289 16.113,1290 13.518,1291 10.583,1292 0.46,1293 0.336,1294 7.644,1295 10.232,1296 7.355,1297 6.206,1298 10.583,1299 7.728,1300 9.018,1301 0.291,1302 0.168,1303 9.018,1304 5.199,1305 7.399,1306 0.185,1307 0.092,1308 7.399,1309 3.664,1310 6.129,1311 0.12,1312 0.05,1313 6.129,1314 2.574,1315 4.957,1316 0.08,1317 0.03,1318 4.957,1319 1.86,1320 0.463,1321 65.847,1322 0.262,1323 21.478,1324 0.861,1325 108,1326 283.65,1327 117.593,1328 279.278,1329 388.21,1330 262,1331 125,1332 293.426,1333 133.983,1334 298.473,1335 434.63,1336 281,1337 4.284}
{0 CHEMBL333424,1 1.764,2 7.833,3 2.343,4 5.49,5 82.066,6 12.864,7 0.632,8 3.488,9 3.625,10 3.511,11 3.099,12 4.738,13 3.063,14 3.905,15 4.057,16 3.994,17 3.501,18 5.141,19 3.423,20 4.12,21 4.273,22 4.243,23 3.65,24 5.331,25 3.538,26 4.217,27 4.434,28 4.54,29 3.634,30 5.341,31 3.429,32 4.052,33 4.293,34 3.556,35 3.356,36 5.065,37 3.175,38 3.798,39 4.024,40 3.757,41 3.178,42 4.941,43 3.057,44 3.749,45 3.979,46 4.092,47 3.05,48 4.975,49 2.922,50 3.325,51 3.511,52 3.223,53 2.711,54 4.682,55 2.518,56 0.097,57 0.465,58 1.808,59 2.07,60 14.637,61 2.198,62 0.162,63 0.678,64 6.774,65 4.045,66 17.682,67 4.835,68 0.202,69 0.789,70 15.977,71 5.319,72 20.098,73 5.569,74 0.325,75 0.771,76 64.344,77 7.675,78 38.332,79 7.535,80 0.25,81 0.631,82 47.314,83 6.694,84 28.283,85 7.111,86 0.187,87 0.535,88 9.152,89 3.688,90 24.377,91 3.923,92 0.255,93 0.451,94 26.733,95 4.473,96 22.178,97 4.747,98 0.163,99 0.317,100 23.862,101 3.178,102 20.649,103 2.908,104 26,105 27,106 0.341,107 0.693,108 0.77,109 0.833,110 0.833,111 0.833,112 2.96,113 1.051,114 -4.02,115 -3.97,116 -3.76,117 2,119 37.9,121 1,139 2,140 2,141 3,142 1,144 1,147 1,157 3,158 3,159 3,166 4,169 1,170 2,172 3,173 3,175 1,178 6,180 1,182 2,187 5,189 4,191 5,193 2,195 1,196 1,197 1,198 3,200 2,201 5,204 3,205 1,207 4,212 4,215 2,218 4,226 2,231 2,234 4,239 4,243 4,248 2,249 2,250 1,253 2,258 1,265 2,270 2,273 332,274 11.516,275 11.516,276 11.516,277 11.516,278 11.516,279 9.806,280 14.872,281 6.59,282 11.979,283 9.319,284 9.319,285 9.319,286 9.319,287 9.319,288 6.88,289 19.933,290 3.128,291 10.216,292 3.094,293 1.277,294 0.88,295 0.552,296 0.552,297 0.552,298 3.607,301 1,302 1,303 289,304 2.121,307 118.615,314 1.093,315 16.513,318 0.75,319 0.83,320 0.83,321 0.5,323 0.83,324 1,325 0.68,326 38,327 141,328 4.379,329 3.351,330 6.316,331 3.94,332 3.007,333 4.07,334 0.68,335 9.361,336 2.824,337 4.22,338 3.065,339 6.082,340 3.777,341 2.84,342 3.871,344 8.775,345 2.6,346 3.58,347 2.573,348 5.254,349 3.202,350 2.255,351 2.912,353 6.584,354 2.111,355 3.349,356 2.507,357 4.917,358 2.928,359 1.984,360 2.648,362 5.625,363 1.86,364 3.232,365 2.149,366 4.879,367 2.683,368 1.879,369 2.481,371 5.225,372 1.35,373 2.821,374 1.554,375 4.135,376 2.348,377 1.414,378 1.95,380 3.658,381 1.317,382 1.769,383 1.205,384 3.266,385 1.46,386 0.569,387 0.652,389 1.375,390 0.464,391 1.453,392 0.625,393 2.7,394 1.088,395 0.242,396 0.28,398 0.549,399 0.172,400 1,401 0.15,402 2.653,403 0.448,404 -0.347,405 -0.445,407 -0.898,408 -0.192,409 0.802,410 -0.107,411 2.359,412 0.397,413 -0.509,414 -0.615,415 -1.242,416 -0.386,417 0.677,418 -0.314,419 2.117,420 0.357,421 -0.534,422 -0.627,423 -1.372,424 -0.466,425 0.139,426 -0.691,427 1.488,428 -0.226,429 -1.108,430 -1.328,431 -2.81,432 -0.814,433 -0.043,434 -1,435 1.468,436 -0.451,437 -1.277,438 -1.539,439 -3.349,440 -1.129,441 -0.151,442 -1.243,443 1.37,444 -0.565,445 -1.414,446 -1.858,448 -4.04,449 -1.158,450 -0.232,451 -1.273,452 1.218,453 -0.634,454 -1.532,455 -2.036,457 -4.176,458 -1.353,459 10.167,460 0.565,461 0.617,462 0.034,463 24.75,464 1.375,465 13.5,466 0.75,467 11.25,468 0.625,469 15.334,470 0.852,471 18.033,472 0.622,473 13.05,474 0.725,475 4.441,476 0.247,477 4.029,478 0.224,479 0.38,481 0.344,485 1.173,486 1.01,487 0.481,488 0.482,489 1.464,490 0.585,491 0.476,492 0.82,493 0.577,494 0.615,495 0.43,496 0.707,497 0.974,498 1.31,499 0.993,500 1.092,501 0.847,502 1.118,503 1.058,504 0.874,505 0.98,506 1.008,507 1.023,508 1.135,509 1.067,510 0.991,511 1.174,512 1.171,513 0.932,514 1.125,515 1.289,516 1.003,517 0.675,518 0.612,519 1.366,520 0.762,521 0.524,522 1.301,523 1.322,524 1.353,525 0.539,526 0.938,527 1.293,528 1.031,529 1.903,530 1.692,531 1.316,532 1.571,533 5,535 2.444,536 1.563,537 1.178,538 0.347,539 0.507,540 0.264,541 0.14,542 0.051,543 2535,544 10275,545 1.931,546 37.9,547 2,548 2,550 1,551 6,555 1.586,556 1.742,557 2.965,558 4.058,560 1,564 51.164,565 1.764,566 3.581,567 3.978,568 4.306,569 4.306,570 4.306,571 2.414,572 3.461,573 4.146,574 3.058,575 467.864,576 7.031,577 4394.42,578 1,579 1,581 1,582 140.881,583 1.572,584 4.056,585 0.263,587 0.091,588 0.058,589 0.059,590 0.022,591 0.032,592 0.018,593 0.017,594 0.013,595 0.572,596 0.33,597 1,598 0.745,599 76.026,600 -0.349,601 0.177,602 -0.013,603 0.163,604 -0.461,605 0.147,606 0.271,607 0.266,608 0.028,609 0.142,610 0.263,611 0.138,612 -0.113,613 -0.264,614 -0.072,615 -0.186,616 -0.065,617 -0.237,618 -0.106,619 0.06,620 0.091,621 0.022,622 -0.103,623 -0.132,624 -0.164,625 -0.129,626 -0.153,627 -0.138,628 -0.083,629 -0.065,630 -0.288,632 0.038,633 0.221,634 -0.315,635 0.143,636 0.588,637 -0.45,638 0.046,639 -0.161,640 0.457,641 0.159,642 -0.078,643 -0.047,644 -0.355,645 -0.47,646 -0.009,647 -0.588,648 1.49,649 1.834,650 0.667,651 10.889,652 1.017,653 1.132,654 2.792,655 7.797,656 0.751,657 2.996,658 3.332,659 3.526,660 3.689,661 3.85,662 3.807,663 3.738,664 3.738,665 3.761,666 3.555,667 4.67,668 0.699,669 373.07,670 2.996,671 4.533,672 5.361,673 6.229,674 7.072,675 7.94,676 8.789,677 9.656,678 10.507,679 11.374,680 17.2,684 3,690 2,695 3,696 2,700 7,702 12,711 3,717 2,718 29,719 12,720 1,721 19,722 2,723 30,724 11,725 10,726 4,727 2,729 2,730 2,739 1,741 10,742 1,754 1,757 11,758 5,759 6,760 7,761 2,764 5,769 1,776 1,781 2,802 2,805 2,810 18,811 3,816 1,828 2,836 10.333,837 4.936,838 3.917,839 1.392,840 2.258,841 1.373,842 1.014,843 4.094,844 8.32,845 3.258,846 3.912,847 4.425,848 4.924,849 5.421,850 5.49,851 5.574,852 5.949,853 6.306,854 6.495,855 1,856 27,857 6.548,859 2.694,860 7.87,861 12.221,863 9.65,865 2.37,866 42.667,867 0.001,870 58.856,871 50,872 224.171,877 141.908,878 58.856,879 132.263,881 2.535,882 117.644,883 45.342,884 24.286,885 4.227,886 47.084,887 91.908,888 58.856,889 182.262,892 91.908,893 58.856,897 13.481,898 135.21,899 33.571,900 91.908,901 58.856,902 132.263,903 141.908,906 58.856,907 22,908 28,909 91.908,910 132.263,911 58.856,912 132.263,913 141.908,915 0.597,916 0.343,917 0.164,918 0.085,919 13,920 7,921 0.067,922 2,924 1,925 2.938,926 123.961,928 12,929 69.059,933 13.584,934 5.424,935 3.145,937 132.263,938 5.515,939 7.866,943 4.78,945 98.692,946 333.026,947 25,956 29.502,957 32.836,958 0.363,959 0.737,960 0.819,961 0.886,962 0.886,963 0.886,964 4.489,965 0.242,966 5.38,967 1.375,968 4.007,969 4.595,970 0.655,971 6.172,972 3.831,973 5.735,974 -0.347,975 6.946,976 0.549,977 3.761,978 4.559,980 7.013,981 3.442,982 7.06,983 -0.509,984 8.604,985 -0.898,986 5.602,987 6.827,988 0.356,989 10.059,990 5.305,991 8.415,992 -0.534,993 10.309,994 -1.242,995 6.066,996 7.487,998 11.618,999 5.624,1000 9.793,1001 -1.108,1002 12.044,1003 -1.372,1004 7.455,1005 9.305,1006 0.18,1007 14.209,1008 7.032,1009 11.187,1010 -1.277,1011 13.797,1012 -2.81,1013 8.245,1014 10.3,1016 16.095,1017 7.691,1018 12.594,1019 -1.414,1020 15.565,1021 -3.349,1022 9.456,1023 11.917,1024 0.087,1025 18.497,1026 8.896,1027 3.007,1028 -1.532,1029 17.345,1030 -4.04,1031 10.4,1032 13.09,1034 20.545,1035 9.728,1036 2.84,1037 9.361,1038 19.133,1039 -4.176,1040 11.537,1041 14.604,1042 0.041,1043 22.856,1044 10.837,1045 2.255,1046 8.775,1047 20.929,1048 4.07,1049 12.554,1050 15.873,1052 24.986,1053 11.76,1054 1.984,1055 6.584,1056 22.73,1057 3.871,1058 13.659,1059 17.332,1060 0.019,1061 27.253,1062 12.822,1063 1.879,1064 5.625,1065 24.537,1066 2.912,1067 14.712,1068 18.654,1070 29.426,1071 13.792,1072 1.414,1073 5.225,1074 26.348,1075 2.648,1076 15.805,1077 20.081,1078 0.009,1079 31.67,1080 14.833,1081 0.569,1082 3.658,1083 28.163,1084 2.481,1085 16.874,1086 21.433,1088 33.865,1089 15.828,1090 2630,1091 5375,1092 11.849,1093 21.779,1094 28.554,1095 29.409,1096 29.911,1097 28.622,1098 28.379,1099 37.73,1100 1.36,1101 82.302,1102 25.395,1103 5.142,1104 5.351,1105 5.62,1106 5.009,1107 5.007,1108 7.07,1109 1.36,1110 16.195,1111 4.824,1112 11.125,1113 1.503,1114 1.548,1115 1.574,1116 1.506,1117 1.494,1118 1.986,1119 0.072,1120 4.332,1121 1.337,1122 3.978,1123 4.01,1124 6.893,1125 3.94,1126 5.291,1127 3.919,1128 3.804,1129 3.848,1130 6.867,1131 3.668,1132 5.098,1133 3.683,1134 3.248,1135 3.331,1136 3.873,1137 3.074,1138 4.978,1139 3.073,1140 3.037,1141 3.164,1142 3.629,1143 2.97,1144 4.525,1145 2.852,1146 2.886,1147 3.007,1148 3.086,1149 2.729,1150 4.411,1151 2.754,1152 2.886,1153 2.904,1154 2.881,1155 2.578,1156 3.837,1157 2.605,1158 2.631,1159 2.768,1160 2.728,1161 2.292,1162 3.751,1163 2.277,1164 2.25,1165 2.398,1166 2.405,1167 2.088,1168 3.676,1169 1.977,1170 0.23,1171 0.176,1172 0.332,1173 0.207,1174 0.158,1175 4.379,1176 0.214,1177 3.351,1178 0.036,1179 6.316,1180 0.493,1181 3.94,1182 0.149,1183 3.007,1184 4.07,1185 0.68,1186 9.361,1187 2.824,1188 1.936,1189 1.916,1190 1.992,1191 2.031,1192 1.215,1193 2.028,1194 1.73,1195 1.689,1196 1.778,1197 1.888,1198 0.871,1199 1.875,1200 1.187,1201 1.118,1202 1.392,1203 1.454,1204 0.388,1205 1.451,1206 0.934,1207 0.84,1208 1.245,1209 1.335,1210 0.14,1211 1.323,1212 0.859,1213 0.823,1214 1.152,1215 1.179,1217 1.185,1218 0.809,1219 0.694,1220 1.01,1221 0.959,1223 0.992,1224 0.587,1225 0.445,1226 0.972,1227 0.933,1229 0.991,1230 0.184,1231 0.081,1232 0.523,1233 0.574,1235 0.568,1236 3.664,1238 4.99,1240 6.506,1242 8.109,1244 9.753,1245 6.806,1250 17.085,1252 0.615,1262 20.265,1263 51.164,1264 103.862,1265 115.372,1266 124.881,1267 124.881,1268 124.881,1269 26.498,1270 6.061,1271 103.84,1272 103.84,1273 12,1274 11.922,1275 3.7,1276 2.807,1277 31.02,1278 51,1279 46,1280 0.314,1281 141.734,1282 230.06,1283 337.591,1284 2659,1285 6.9,1286 13.284,1287 0.738,1288 0.694,1289 15.284,1290 12.494,1291 8.469,1292 0.446,1293 0.35,1294 5.11,1295 7.152,1296 4.888,1297 4.047,1298 9.624,1299 6.659,1300 8.042,1301 0.298,1302 0.204,1303 9.526,1304 5.497,1305 6.451,1306 0.195,1307 0.114,1308 7.974,1309 3.762,1310 4.837,1311 0.124,1312 0.072,1313 6.353,1314 2.811,1315 3.529,1316 0.077,1317 0.03,1318 4.071,1319 1.396,1320 0.479,1321 69.287,1322 0.291,1323 17.926,1324 0.892,1325 92,1326 270.536,1327 230.819,1328 347.087,1329 448.77,1330 318,1331 106,1332 278.284,1333 182.211,1334 311.944,1335 450.65,1336 291,1337 4.244}
{0 CHEMBL33357,1 1.567,2 11.5,3 2.284,4 5.218,5 102.534,6 7.873,7 0.759,8 3.911,9 4.04,10 3.524,11 3.444,12 5.107,13 3.448,14 4.378,15 4.54,16 3.88,17 3.823,18 5.555,19 3.807,20 4.566,21 4.742,22 3.945,23 3.963,24 5.668,25 3.925,26 4.654,27 4.862,28 3.835,29 3.942,30 5.753,31 3.86,32 4.679,33 4.937,34 3.644,35 3.842,36 5.657,37 3.731,38 4.502,39 4.758,40 3.472,41 3.695,42 5.426,43 3.586,44 4.379,45 4.622,46 3.444,47 3.62,48 5.35,49 3.524,50 4.261,51 4.486,52 3.411,53 3.536,54 5.269,55 3.454,56 0.066,57 0.708,58 8.261,59 3.37,60 11.745,61 4.298,62 0.254,63 1.079,64 14.786,65 5.933,66 25.449,67 7.602,68 0.194,69 1.281,70 18.021,71 6.943,72 20.702,73 9.236,74 0.271,75 1.337,76 20.867,77 8.065,78 37.149,79 11.059,80 0.34,81 1.27,82 24.155,83 8.17,84 40.147,85 11.72,86 0.238,87 1.047,88 20.244,89 6.979,90 30.544,91 9.969,92 0.288,93 0.933,94 17.75,95 6.307,96 28.543,97 8.837,98 0.136,99 0.871,100 14.739,101 5.422,102 19.567,103 7.636,104 11,105 41,106 0.267,107 0.628,108 0.791,109 0.882,110 0.89,111 0.89,112 3.304,113 0.84,114 -4.21,115 -4.16,116 -3.93,119 43.2,124 1,125 1,139 7,140 4,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 10,169 2,170 5,172 3,173 3,175 3,178 12,180 1,182 5,185 1,187 4,189 10,191 1,192 1,193 2,195 3,196 3,197 1,198 4,200 2,201 5,204 1,205 1,207 3,210 2,211 1,212 4,214 1,215 4,218 1,221 3,229 5,234 5,237 1,238 1,239 1,240 1,241 6,243 1,246 7,251 2,254 3,256 2,260 7,265 4,270 4,273 920,274 17.765,275 17.765,276 17.765,277 17.765,278 17.765,279 15.169,280 20.35,281 10.333,282 18.236,283 14.264,284 14.264,285 14.264,286 14.264,287 14.264,288 10.281,289 27.999,290 4.84,291 14.939,292 3.893,293 1.781,294 0.827,295 0.29,296 0.244,297 0.244,298 4.005,300 1,301 1,302 1,303 656,304 2.739,307 252.868,311 215.319,314 1.577,315 19.753,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 56,327 299,328 4.543,329 3.168,330 6.521,331 4.06,332 3.084,333 4.491,334 0.86,335 10.263,336 3.047,337 4.517,338 3.111,339 6.501,340 4.03,341 3.054,342 4.46,343 0.657,344 10.173,345 2.948,346 3.802,347 2.774,348 5.438,349 3.413,350 2.462,351 3.254,353 7.139,354 2.341,355 3.732,356 2.544,357 5.302,358 3.303,359 2.357,360 3.191,362 6.835,363 2.227,364 3.43,365 2.205,366 5.062,367 2.98,368 2.05,369 2.811,371 5.815,372 1.903,373 3.386,374 2.106,375 5.003,376 2.91,377 1.978,378 2.712,380 5.784,381 1.855,382 3.295,383 2.001,384 4.954,385 2.845,386 1.88,387 2.626,389 5.607,390 1.788,391 3.002,392 1.563,393 4.188,394 2.522,395 1.529,396 2.233,398 3.799,399 1.517,400 2.468,401 1.169,402 3.71,403 2.039,404 1.056,405 1.456,407 2.565,408 1.037,409 2.443,410 1.071,411 3.453,412 1.943,413 1.004,414 1.42,415 2.417,416 0.94,417 1.907,418 1.056,419 3.207,420 1.602,421 0.666,422 0.799,423 1.526,424 0.619,425 1.628,426 0.726,427 2.836,428 1.322,429 0.441,430 0.508,431 0.706,432 0.385,433 1.39,434 0.179,435 2.737,436 0.968,437 0.034,438 0.045,439 0.086,440 0.032,441 1.028,442 -0.21,443 2.583,444 0.601,445 -0.366,446 -0.485,448 -0.954,449 -0.351,450 0.951,451 -0.251,452 2.465,453 0.465,454 -0.458,455 -0.59,457 -1.072,458 -0.424,459 12.233,460 0.471,461 0.623,462 0.024,463 39.5,464 1.519,465 22,466 0.846,467 17.5,468 0.673,469 16.505,470 0.635,471 26.767,472 0.608,473 28.199,474 1.085,475 7.936,476 0.305,477 4.7,478 0.181,479 0.106,481 0.368,485 1.074,486 1.183,487 0.777,488 0.919,489 1.235,490 0.811,491 0.959,492 0.85,493 0.778,494 0.838,495 0.616,496 0.804,497 1.025,498 1.175,499 0.968,500 1.068,501 0.866,502 1.02,503 0.733,504 1.123,505 1.09,506 1.265,507 0.743,508 1.244,509 0.863,510 0.908,511 1.061,512 1.034,513 0.912,514 1.068,515 0.933,516 0.918,517 1.029,518 0.995,519 0.966,520 1.018,521 0.894,522 0.795,523 0.957,524 0.875,525 0.855,526 0.927,527 0.838,528 1.174,529 0.972,530 1.124,531 0.83,532 1.08,533 5.5,534 0.119,535 2.889,536 1.688,537 1.804,538 0.646,539 0.384,540 0.288,541 0.258,542 0.208,543 8513,544 23427,545 2.124,546 40.9,548 12,550 1,551 5,555 1.687,556 2,557 3.457,558 2.558,559 1,560 1,564 68.936,565 1.567,566 3.678,567 4.632,568 5.17,569 5.215,570 5.215,571 2.884,572 4.239,573 4.675,574 3.594,575 1168.07,576 8.078,577 14637.6,579 1,581 1,582 240.215,583 1.37,584 4.637,585 0.19,586 0.006,587 0.07,588 0.039,589 0.05,590 0.022,591 0.015,592 0.012,593 0.011,594 0.009,595 0.424,596 0.17,597 1,598 0.721,599 127.914,600 -0.164,601 -0.021,602 0.021,603 0.057,604 -0.284,605 0.074,606 0.093,607 0.233,608 0.095,609 0.15,610 0.198,611 0.117,612 -0.118,613 -0.11,614 -0.092,615 -0.084,616 -0.081,617 -0.086,618 0.092,619 -0.111,620 -0.171,621 -0.279,622 0.114,623 -0.276,624 0.004,625 0.031,626 -0.054,627 -0.053,628 -0.015,629 -0.061,630 -0.091,631 0.003,632 -0.025,633 0.009,634 -0.126,635 0.008,636 0.03,637 0.128,638 0.039,639 0.14,640 -0.011,641 0.096,642 -0.05,643 -0.209,644 -0.023,645 -0.119,646 -0.03,647 -0.077,648 1.547,649 1.924,650 0.769,651 21.444,652 1.005,653 1.129,654 2.985,655 8.91,656 0.683,657 3.401,658 3.738,659 4.025,660 4.304,661 4.564,662 4.605,663 4.682,664 4.754,665 4.898,666 4.883,667 6.501,668 0.659,669 346.43,670 3.401,671 4.949,672 5.808,673 6.693,674 7.567,675 8.455,676 9.333,677 10.221,678 11.101,679 11.988,680 13.6,684 2,685 1,690 3,694 4,695 8,696 3,700 5,702 22,711 2,712 1,716 1,718 44,719 22,720 2,721 29,723 47,724 19,725 17,726 4,727 6,729 4,730 6,741 17,742 2,753 1,754 1,757 18,758 7,759 5,760 7,764 6,769 0.5,770 1,775 1,776 1,781 4,785 2,802 2,806 1,810 26,811 2,816 1,817 1,818 1,829 2.3,834 1,836 13,837 8.1,838 5.694,839 2.338,840 4.562,841 1.592,842 1.041,843 4.288,844 12.268,845 3.714,846 4.407,847 5.072,848 5.721,849 6.345,850 6.647,851 7.008,852 7.368,853 7.785,854 7.803,855 0.875,856 43,857 9.509,859 4.023,860 7.712,861 18.051,863 14.679,865 2.212,866 57.5,870 153.024,871 113.217,872 134.162,874 11,877 113.217,878 164.024,879 134.162,880 10.883,881 2.106,882 132.128,883 80.138,884 40.667,885 4.227,886 141.253,888 153.024,889 247.379,890 11,893 154.74,894 11,897 13.052,898 164.244,899 68.367,901 153.024,902 145.162,903 113.217,906 153.024,907 26.953,908 86.264,909 18.011,910 127.151,911 153.024,912 145.162,913 113.217,915 0.583,916 0.347,917 0.192,918 0.108,919 21,920 9,921 0.085,922 4,923 2,924 1.2,925 3.837,926 221.548,927 0.2,928 20,929 122.211,933 16.517,934 6.75,935 3.28,936 3.461,937 145.162,938 15.846,939 12.382,943 3.293,945 83.805,946 411.403,947 40,956 44.24,957 49.69,958 0.287,959 0.674,960 0.848,961 0.947,962 0.955,963 0.955,964 4.938,965 1.529,966 5.796,967 5.607,968 4.419,969 5.094,970 1.207,971 6.611,972 4.337,973 6.176,974 1.056,975 7.356,976 3.799,977 4.007,978 5.007,980 7.496,981 3.898,982 7.504,983 1.004,984 9.011,985 2.565,986 6.019,987 7.432,988 0.903,989 10.591,990 5.876,991 8.869,992 0.666,993 10.722,994 2.417,995 6.399,996 8.159,998 12.292,999 6.237,1000 10.264,1001 0.441,1002 12.47,1003 1.526,1004 7.885,1005 10.06,1006 0.678,1007 14.907,1008 7.699,1009 11.68,1010 0.034,1011 14.243,1012 0.706,1013 8.648,1014 11.187,1016 16.964,1017 8.449,1018 13.114,1019 -0.366,1020 16.036,1021 0.086,1022 9.916,1023 12.864,1024 0.512,1025 19.404,1026 9.696,1027 3.084,1028 -0.458,1029 17.844,1030 -0.954,1031 10.868,1032 14.189,1034 21.615,1035 10.635,1036 3.054,1037 10.263,1038 19.663,1039 -1.072,1040 12.045,1041 15.766,1042 0.387,1043 23.986,1044 11.793,1045 2.462,1046 10.173,1047 21.493,1048 4.491,1049 13.087,1050 17.186,1052 26.263,1053 12.82,1054 2.357,1055 7.139,1056 23.331,1057 4.46,1058 14.227,1059 18.718,1060 0.293,1061 28.607,1062 13.943,1063 2.05,1064 6.835,1065 25.175,1066 3.254,1067 15.311,1068 20.181,1070 30.91,1071 15.01,1072 1.978,1073 5.815,1074 27.025,1075 3.191,1076 16.438,1077 21.694,1078 0.221,1079 33.243,1080 16.119,1081 1.88,1082 5.784,1083 28.879,1084 2.811,1085 17.541,1086 23.177,1088 35.558,1089 17.205,1090 8030,1091 13456,1092 19.592,1093 30.057,1094 43.224,1095 43.761,1096 44.493,1097 43.129,1098 43.193,1099 60.007,1100 3.035,1101 125.428,1102 41.28,1103 5.372,1104 5.168,1105 6.074,1106 5.136,1107 5.084,1108 7.491,1109 1.72,1110 17.158,1111 5.047,1112 11.682,1113 1.49,1114 1.509,1115 1.534,1116 1.487,1117 1.489,1118 2.069,1119 0.105,1120 4.325,1121 1.423,1122 4.109,1123 4.135,1124 4.069,1125 4.057,1126 5.325,1127 4.055,1128 4.024,1129 4.061,1130 4,1131 3.902,1132 4.983,1133 3.923,1134 3.579,1135 3.633,1136 3.503,1137 3.437,1138 4.945,1139 3.443,1140 3.47,1141 3.522,1142 3.398,1143 3.281,1144 4.823,1145 3.306,1146 3.213,1147 3.29,1148 3.094,1149 3.07,1150 4.594,1151 3.067,1152 3.179,1153 3.255,1154 3.003,1155 2.914,1156 4.258,1157 2.915,1158 3.109,1159 3.223,1160 2.978,1161 2.813,1162 4.122,1163 2.85,1164 2.896,1165 2.973,1166 2.775,1167 2.704,1168 4.027,1169 2.709,1170 0.157,1171 0.109,1172 0.225,1173 0.14,1174 0.106,1175 4.543,1176 0.155,1177 3.168,1178 0.03,1179 6.521,1180 0.354,1181 4.06,1182 0.105,1183 3.084,1184 4.491,1185 0.86,1186 10.263,1187 3.047,1188 2.079,1189 2.063,1190 2.157,1191 2.147,1192 1.328,1193 2.149,1194 1.957,1195 1.923,1196 2.007,1197 2.103,1198 1.083,1199 2.08,1200 1.535,1201 1.498,1202 1.704,1203 1.732,1204 0.821,1205 1.721,1206 1.402,1207 1.342,1208 1.576,1209 1.628,1210 0.625,1211 1.618,1212 1.196,1213 1.137,1214 1.522,1215 1.438,1216 0.551,1217 1.467,1218 1.153,1219 1.068,1220 1.409,1221 1.404,1222 0.371,1223 1.419,1224 0.998,1225 0.9,1226 1.267,1227 1.373,1228 0.218,1229 1.355,1230 0.872,1231 0.795,1232 1.146,1233 1.09,1235 1.11,1236 4.078,1238 5.407,1240 6.944,1242 8.579,1244 10.264,1246 1.669,1250 11.528,1252 0.645,1253 3.38,1254 5.295,1262 29.004,1263 68.936,1264 161.834,1265 203.809,1266 227.46,1267 229.46,1268 229.46,1269 31.577,1270 7.706,1271 111.97,1272 111.97,1273 24,1274 12.52,1275 4.524,1276 3.585,1277 38.229,1278 104,1279 100,1280 0.183,1281 178.939,1282 292.61,1283 428.372,1284 25166,1286 18.096,1287 0.696,1288 0.547,1289 18.096,1290 14.23,1291 12.635,1292 0.436,1293 0.28,1294 7.994,1295 12.145,1296 7.797,1297 6.49,1298 12.635,1299 8.121,1300 11.436,1301 0.279,1302 0.144,1303 11.436,1304 5.92,1305 9.795,1306 0.178,1307 0.077,1308 9.795,1309 4.259,1310 8.406,1311 0.115,1312 0.04,1313 8.406,1314 2.956,1315 6.98,1316 0.073,1317 0.021,1318 6.98,1319 2.035,1320 0.29,1321 79.23,1322 0.226,1323 25.19,1324 0.492,1325 140,1326 393.628,1327 152.759,1328 389.514,1329 545.87,1330 366,1331 166,1332 416.024,1333 178.178,1334 426.441,1335 621.73,1336 400,1337 6.432}
{0 CHEMBL333696,1 1.395,2 8.05,3 2.731,4 7.458,5 86.105,6 6.62,7 0.571,8 3.78,9 3.942,10 3.22,11 3.278,12 4.898,13 3.237,14 4.266,15 4.48,16 3.552,17 3.656,18 5.299,19 3.577,20 4.477,21 4.698,22 3.641,23 3.81,24 5.469,25 3.717,26 4.616,27 4.86,28 3.543,29 3.85,30 5.629,31 3.716,32 4.678,33 4.958,34 3.398,35 3.821,36 5.533,37 3.649,38 4.624,39 4.929,40 3.261,41 3.696,42 5.421,43 3.511,44 4.504,45 4.827,46 3.228,47 3.52,48 5.291,49 3.349,50 4.271,51 4.559,52 3.06,53 3.269,54 5.383,55 3.138,56 0.07,57 0.628,58 9.622,59 3.289,60 12.762,61 5.125,62 0.177,63 0.929,64 15.909,65 6.147,66 20.71,67 9.004,68 0.12,69 1.111,70 19.734,71 6.864,72 19.864,73 10.714,74 0.244,75 1.186,76 23.098,77 7.599,78 40.223,79 11.923,80 0.198,81 1.147,82 24.632,83 8.277,84 34.952,85 13.041,86 0.196,87 1.027,88 23.522,89 7.657,90 31.222,91 12.233,92 0.136,93 0.885,94 20.88,95 6.678,96 22.982,97 10.86,98 0.267,99 0.76,100 16.966,101 3.937,102 42.468,103 7.1,104 30,105 29,106 0.25,107 0.592,108 0.736,109 0.778,110 0.778,111 0.778,112 3.058,113 0.974,114 -4.01,115 -3.96,116 -3.75,119 36.6,120 2,121 3,139 2,140 4,141 1,142 1,144 1,147 1,157 3,158 3,159 3,166 10,169 1,170 2,172 3,173 3,175 3,178 11,180 3,182 2,187 5,189 12,191 5,193 2,195 1,196 1,197 1,198 5,200 2,201 11,204 5,205 1,207 4,212 4,215 8,218 4,221 4,226 4,229 3,231 4,234 4,239 4,243 4,246 4,248 2,249 2,250 1,251 4,253 2,256 4,258 1,265 2,270 2,273 478,274 13.257,275 13.257,276 13.257,277 13.257,278 13.257,279 11.651,280 18.544,281 7.636,282 13.45,283 10.194,284 10.194,285 10.194,286 10.194,287 10.194,288 7.733,289 22.409,290 3.438,291 10.521,292 3.962,293 2.05,294 1.244,295 1.012,296 1.012,297 1.012,298 3.711,300 1,301 1,302 1,303 327,304 2.55,307 134.953,314 1.16,315 16.026,316 1,317 1,318 0.75,319 0.83,320 0.83,321 0.9,322 1,323 0.83,324 1,325 0.88,326 42.5,327 161,328 4.409,329 3.248,330 6.431,331 4.037,332 3.046,333 4.097,334 0.68,335 9.855,336 3.019,337 4.225,338 3.04,339 6.085,340 3.81,341 2.85,342 3.873,344 8.822,345 2.742,346 3.586,347 2.497,348 5.257,349 3.223,350 2.263,351 2.919,353 6.62,354 2.175,355 3.355,356 2.358,357 5.19,358 3.061,359 2.061,360 2.652,362 6.118,363 2.061,364 3.352,365 2.147,366 4.917,367 2.933,368 1.987,369 2.604,371 5.628,372 1.868,373 2.821,374 1.554,375 4.136,376 2.348,377 1.414,378 1.95,380 3.658,381 1.317,382 1.982,383 1.214,384 3.506,385 1.872,386 0.896,387 0.946,389 1.805,390 0.873,391 1.618,392 0.649,393 2.989,394 1.396,395 0.398,396 0.469,398 0.885,399 0.396,400 1.576,401 0.456,402 2.859,403 1.353,404 0.396,405 0.452,407 0.603,408 0.379,409 1.139,410 0.094,411 2.359,412 0.884,413 -0.079,414 -0.091,415 -0.142,416 -0.076,417 0.798,418 -0.314,419 2.332,420 0.394,421 -0.514,422 -0.621,423 -1.242,424 -0.466,425 0.65,426 -0.412,427 2.294,428 0.311,429 -0.654,430 -0.762,431 -1.622,432 -0.63,433 0.553,434 -0.61,435 1.907,436 0.306,437 -0.694,438 -0.878,439 -1.641,440 -0.694,441 0.08,442 -0.948,443 1.387,444 -0.231,445 -1.178,446 -1.463,448 -3.168,449 -1.107,450 -0.116,451 -1.2,452 1.352,453 -0.451,454 -1.414,455 -1.675,457 -3.903,458 -1.353,459 9.5,460 0.475,461 0.541,462 0.027,463 25.75,464 1.288,465 13.5,466 0.675,467 12.25,468 0.613,469 15.853,470 0.793,471 22.3,472 0.544,473 16.993,474 0.85,475 4.802,476 0.24,477 4.743,478 0.237,479 0.232,481 0.368,485 1.261,486 1.21,487 0.993,488 1.007,489 1.42,490 0.973,491 0.396,492 0.94,493 0.761,494 0.997,495 0.407,496 0.935,497 0.876,498 1.274,499 0.96,500 1.161,501 0.774,502 1.084,503 1.077,504 1.104,505 1.228,506 1.22,507 1.134,508 1.239,509 0.883,510 1.052,511 1.077,512 1.138,513 0.921,514 1.132,515 0.805,516 0.967,517 0.946,518 1.012,519 0.815,520 0.999,521 0.486,522 1.065,523 0.628,524 0.918,525 0.489,526 0.81,527 1.487,528 1.127,529 1.242,530 1.086,531 1.345,532 1.127,533 5,535 2.444,536 1.813,537 1.338,538 0.528,539 0.507,540 0.326,541 0.164,542 0.123,543 3301,544 7977,545 1.938,546 51.2,547 12,548 2,550 1,551 6,555 1.62,556 1.765,557 3.013,558 3.764,560 1,562 1,564 57.208,565 1.395,566 3.308,567 4.113,568 4.345,569 4.345,570 4.345,571 2.441,572 3.784,573 4.296,574 3.138,575 596.265,576 7.351,577 6093.63,578 1,579 1,581 1,582 219.66,583 1.559,584 4.219,585 0.238,587 0.084,588 0.058,589 0.051,590 0.024,591 0.027,592 0.017,593 0.012,594 0.02,595 0.532,596 0.33,597 1,598 1.048,599 87.987,600 -0.213,601 0.102,602 -0.012,603 0.127,604 -0.292,605 0.089,606 0.391,607 0.202,608 0.193,609 0.122,610 0.292,611 0.131,612 -0.038,613 -0.153,614 -0.003,615 -0.07,616 0.003,617 -0.038,618 -0.103,619 -0.02,620 -0.259,621 -0.191,622 -0.094,623 -0.236,624 -0.091,625 -0.092,626 -0.127,627 -0.122,628 -0.075,629 -0.128,630 -0.018,631 -0.073,632 0.007,633 -0.027,634 -0.038,635 -0.01,636 0.232,637 -0.243,638 0.324,639 0.055,640 0.211,641 0.178,642 -0.015,643 -0.116,644 -0.209,645 -0.234,646 0.031,647 -0.244,648 1.466,649 2.15,650 0.6,651 13.7,652 0.99,653 1.142,654 2.78,655 7.731,656 0.637,657 3.091,658 3.401,659 3.638,660 3.829,661 4.007,662 3.951,663 3.989,664 3.97,665 3.932,666 3.892,667 4.962,668 0.593,669 271.41,670 3.091,671 4.615,672 5.451,673 6.319,674 7.172,675 8.042,676 8.902,677 9.771,678 10.634,679 11.503,680 12.2,684 3,690 2,695 3,696 2,700 7,702 12,711 3,718 41,719 12,720 1,721 21,723 42,724 15,725 10,726 4,727 2,729 2,730 2,734 2,739 3,741 10,742 5,753 1,754 1,757 21,758 5,759 6,760 5,764 5,769 1,776 1,781 2,802 2,806 2,810 20,811 3,816 3,836 11.333,837 7.65,838 4.583,839 2.571,840 2.26,841 1.36,842 0.977,843 4.452,844 8.531,845 3.332,846 3.951,847 4.494,848 5.007,849 5.515,850 5.596,851 5.792,852 6.088,853 6.411,854 6.683,855 1,856 31,857 7.335,859 2.973,860 7.708,861 14.062,863 11.135,865 2.208,866 44.167,867 0.001,870 176.567,871 72.98,872 132.263,877 72.98,878 176.567,879 132.263,880 17.65,881 7.604,882 117.644,883 45.342,884 24.546,885 4.227,886 164.795,888 176.567,889 205.243,893 176.567,897 36.201,898 135.471,899 33.571,901 176.567,902 132.263,903 72.98,906 176.567,907 27.33,908 45.65,910 132.263,911 176.567,912 132.263,913 72.98,915 0.578,916 0.351,917 0.183,918 0.096,919 13,920 7,921 0.095,922 4,924 1,925 3.105,926 143.998,928 12,929 78.439,933 14.601,934 6.098,935 3.217,937 132.263,938 5.944,939 7.993,943 5.947,945 98.692,946 381.809,947 27,956 40.578,957 46.813,958 0.26,959 0.617,960 0.768,961 0.811,962 0.811,963 0.811,964 4.554,965 0.398,966 5.451,967 1.805,968 4.078,969 4.635,970 0.655,971 6.252,972 4.02,973 5.779,974 0.396,975 7.017,976 0.885,977 3.761,978 4.559,980 7.135,981 3.68,982 7.099,983 -0.079,984 8.676,985 0.603,986 5.673,987 6.857,988 0.356,989 10.187,990 5.573,991 8.453,992 -0.514,993 10.386,994 -0.142,995 6.111,996 7.512,998 11.813,999 5.993,1000 9.831,1001 -0.654,1002 12.128,1003 -1.242,1004 7.531,1005 9.335,1006 0.18,1007 14.402,1008 7.397,1009 11.228,1010 -0.694,1011 13.891,1012 -1.622,1013 8.316,1014 10.335,1016 16.361,1017 8.167,1018 12.638,1019 -1.178,1020 15.669,1021 -1.641,1022 9.541,1023 11.952,1024 0.087,1025 18.771,1026 9.378,1027 3.046,1028 -1.414,1029 17.459,1030 -3.168,1031 10.491,1032 13.133,1034 20.889,1035 10.316,1036 2.85,1037 9.855,1038 19.258,1039 -3.903,1040 11.638,1041 14.647,1042 0.041,1043 23.222,1044 11.449,1045 2.263,1046 8.822,1047 21.066,1048 4.097,1049 12.665,1050 15.924,1052 25.418,1053 12.466,1054 2.061,1055 6.62,1056 22.88,1057 3.873,1058 13.78,1059 17.384,1060 0.019,1061 27.717,1062 13.569,1063 1.987,1064 6.118,1065 24.699,1066 2.919,1067 14.844,1068 18.714,1070 29.951,1071 14.624,1072 1.414,1073 5.628,1074 26.524,1075 2.652,1076 15.947,1077 20.145,1078 0.009,1079 32.236,1080 15.717,1081 0.896,1082 3.658,1083 28.352,1084 2.604,1085 17.029,1086 21.504,1088 34.491,1089 16.79,1090 3434,1091 5445,1092 13.235,1093 26.12,1094 30.706,1095 30.966,1096 33.028,1097 30.669,1098 30.622,1099 39.923,1100 1.36,1101 87.984,1102 29.661,1103 5.18,1104 5.248,1105 5.961,1106 5.106,1107 5.046,1108 7.097,1109 1.36,1110 16.776,1111 5.019,1112 12.132,1113 1.462,1114 1.475,1115 1.573,1116 1.46,1117 1.458,1118 1.901,1119 0.065,1120 4.19,1121 1.412,1122 4.017,1123 4.051,1124 3.963,1125 3.952,1126 5.291,1127 3.95,1128 3.831,1129 3.885,1130 3.79,1131 3.675,1132 5.087,1133 3.697,1134 3.478,1135 3.557,1136 3.284,1137 3.342,1138 4.978,1139 3.318,1140 3.36,1141 3.44,1142 3.209,1143 3.2,1144 4.52,1145 3.191,1146 3.158,1147 3.265,1148 2.968,1149 2.923,1150 4.41,1151 2.924,1152 3.03,1153 3.159,1154 2.866,1155 2.71,1156 4.069,1157 2.737,1158 2.886,1159 3.006,1160 2.728,1161 2.577,1162 3.948,1163 2.604,1164 2.72,1165 2.81,1166 2.498,1167 2.565,1168 3.744,1169 2.538,1170 0.21,1171 0.155,1172 0.306,1173 0.192,1174 0.145,1175 4.409,1176 0.195,1177 3.248,1178 0.032,1179 6.431,1180 0.469,1181 4.037,1182 0.144,1183 3.046,1184 4.097,1185 0.68,1186 9.855,1187 3.019,1188 1.988,1189 1.962,1190 2.097,1191 2.077,1192 1.319,1193 2.083,1194 1.762,1195 1.716,1196 1.871,1197 1.95,1198 1.031,1199 1.928,1200 1.513,1201 1.44,1202 1.822,1203 1.702,1204 1.012,1205 1.748,1206 1.363,1207 1.288,1208 1.642,1209 1.573,1210 0.696,1211 1.606,1212 1.118,1213 1.027,1214 1.389,1215 1.423,1216 0.378,1217 1.424,1218 0.93,1219 0.816,1220 1.246,1221 1.333,1222 0.249,1223 1.322,1224 0.809,1225 0.694,1226 1.153,1227 1.177,1228 0.073,1229 1.184,1230 0.76,1231 0.676,1232 1.125,1233 0.979,1235 1.034,1236 3.761,1238 5.069,1240 6.581,1242 8.186,1244 9.838,1246 4.213,1250 17.548,1252 2.521,1262 24.321,1263 57.208,1264 135.621,1265 168.64,1266 178.15,1267 178.15,1268 178.15,1269 31.93,1270 6.271,1271 103.84,1272 103.84,1273 12,1274 12.048,1275 3.7,1276 2.807,1277 36.32,1278 59,1279 58,1280 0.31,1281 156.276,1282 260.7,1283 373.073,1284 3455,1286 14.698,1287 0.735,1288 0.599,1289 14.698,1290 11.98,1291 9.545,1292 0.455,1293 0.325,1294 6.757,1295 9.306,1296 6.509,1297 5.498,1298 9.545,1299 6.817,1300 8.424,1301 0.29,1302 0.167,1303 8.424,1304 4.85,1305 7.053,1306 0.191,1307 0.094,1308 7.053,1309 3.484,1310 5.542,1311 0.123,1312 0.052,1313 5.542,1314 2.328,1315 4.226,1316 0.078,1317 0.029,1318 4.226,1319 1.562,1320 0.473,1321 59,1322 0.275,1323 19.684,1324 0.885,1325 100,1326 241.227,1327 107.077,1328 247.798,1329 344.33,1330 230,1331 116,1332 262.817,1333 122.495,1334 271.949,1335 392.33,1336 255,1337 4.42}
{0 CHEMBL333791,1 1.652,2 9.409,3 3.558,4 12.657,5 93.441,6 8.674,7 0.5,8 3.774,9 3.91,10 3.457,11 3.341,12 4.889,13 3.311,14 4.296,15 4.468,16 3.873,17 3.768,18 5.386,19 3.699,20 4.602,21 4.817,22 4.018,23 3.921,24 5.607,25 3.822,26 4.653,27 4.892,28 3.966,29 3.877,30 5.673,31 3.735,32 4.583,33 4.847,34 3.513,35 3.723,36 5.492,37 3.563,38 4.454,39 4.727,40 3.539,41 3.63,42 5.368,43 3.467,44 4.336,45 4.588,46 3.503,47 3.571,48 5.265,49 3.396,50 4.056,51 4.285,52 3.435,53 3.353,54 5.106,55 3.217,56 0.074,57 0.603,58 6.851,59 3.07,60 10.499,61 4.115,62 0.175,63 0.938,64 13.748,65 6.023,66 21.518,67 8.116,68 0.316,69 1.121,70 25,71 7.9,72 30.367,73 10.859,74 0.44,75 1.104,76 33.191,77 8.606,78 50.231,79 11.606,80 0.403,81 1.001,82 29.939,83 7.806,84 49.34,85 10.792,86 0.367,87 0.864,88 24.448,89 7.217,90 42.773,91 10.01,92 0.317,93 0.693,94 28.992,95 7.277,96 35.64,97 9.614,98 0.199,99 0.568,100 18.874,101 5.278,102 22.135,103 6.987,104 17,105 34,106 0.297,107 0.676,108 0.81,109 0.859,110 0.859,111 0.859,112 3.146,113 0.986,114 -4.77,115 -4.68,116 -4.4,119 38.5,121 3,122 1,125 1,139 3,140 1,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 3,172 3,173 3,175 2,178 7,180 1,182 3,187 7,189 4,191 1,193 3,195 1,196 1,197 1,198 7,200 2,201 3,204 4,205 1,207 1,212 3,215 4,218 3,224 2,225 1,226 1,228 1,229 9,231 1,241 10,250 1,253 1,254 2,260 8,265 4,270 4,273 592,274 14.585,275 14.585,276 14.585,277 14.585,278 14.585,279 12.899,280 17.974,281 8.452,282 15.039,283 11.816,284 11.816,285 11.816,286 11.816,287 11.816,288 9.353,289 21.134,290 3.998,291 12.683,292 3.633,293 1.529,294 0.789,295 0.513,296 0.513,297 0.513,298 3.825,299 2,300 1,301 1,302 1,303 442,304 2.449,307 179.352,311 92.351,314 1.463,315 21.794,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 47.167,327 207,328 4.417,329 3.358,330 6.502,331 4.049,332 3.08,333 4.091,334 0.4,335 10.175,336 2.99,337 4.326,338 3.266,339 6.39,340 3.874,341 2.962,342 3.986,344 9.636,345 2.65,346 3.568,347 2.623,348 5.31,349 3.369,350 2.403,351 2.835,353 6.876,354 2.319,355 3.332,356 2.489,357 5.062,358 2.977,359 2.044,360 2.564,362 5.803,363 1.899,364 3.232,365 2.222,366 4.97,367 2.913,368 1.964,369 2.481,371 5.755,372 1.858,373 3.226,374 2.176,375 4.841,376 2.707,377 1.879,378 2.321,380 5.104,381 1.468,382 2.901,383 1.69,384 4.041,385 2.482,386 1.505,387 2.057,389 3.593,390 1.441,391 2.097,392 1.305,393 3.71,394 1.984,395 1.01,396 1.072,398 2.565,399 0.981,400 1.98,401 1.254,402 3.306,403 1.761,404 0.857,405 0.939,407 1.944,408 0.743,409 1.352,410 0.632,411 2.787,412 1.076,413 0.184,414 0.204,415 0.454,416 0.148,417 1.024,418 0.173,419 2.616,420 0.676,421 -0.19,422 -0.217,423 -0.469,424 -0.149,425 1,426 0.118,427 2.481,428 0.473,429 -0.347,430 -0.445,431 -0.757,432 -0.229,433 0.844,434 -0.287,435 2.352,436 0.473,437 -0.45,438 -0.554,439 -1.159,440 -0.411,441 0.337,442 -0.512,443 2.207,444 0.152,445 -0.813,446 -0.863,448 -2.042,449 -0.714,450 0.265,451 -0.609,452 1.903,453 0.107,454 -0.828,455 -0.933,457 -2.435,458 -0.79,459 10.929,460 0.497,461 0.63,462 0.029,463 28,464 1.273,465 13.5,466 0.614,467 14.5,468 0.659,469 18.948,470 0.861,471 23.871,472 0.612,473 17.418,474 0.792,475 5.137,476 0.234,477 5.405,478 0.246,479 0.204,481 0.366,485 0.894,486 1.218,487 0.579,488 0.771,489 0.994,490 0.789,491 0.541,492 1.075,493 0.593,494 0.903,495 0.416,496 0.924,497 0.863,498 1.203,499 0.825,500 1.016,501 0.755,502 1.004,503 1.013,504 1.065,505 0.964,506 1.048,507 0.902,508 1.1,509 1.204,510 0.968,511 1.103,512 1.047,513 1.325,514 1.106,515 0.883,516 0.685,517 0.842,518 0.813,519 1.058,520 0.93,521 1.259,522 0.799,523 1.421,524 1.072,525 1.181,526 1.008,527 1.064,528 1.011,529 1.188,530 1.05,531 1.095,532 0.979,533 5,534 0.119,535 2.889,536 1.75,537 1.471,538 0.576,539 0.264,540 0.28,541 0.312,542 0.106,543 5000,544 16200,545 2.043,546 43.6,547 4,548 5,551 5,552 2,553 1,555 1.642,556 1.886,557 3.179,558 2.779,560 1,562 1,564 64.431,565 1.652,566 3.756,567 4.497,568 4.773,569 4.773,570 4.773,571 2.665,572 4.187,573 4.436,574 3.344,575 772.538,576 7.602,577 8521.31,578 1,579 1,580 1,581 1,582 206.131,583 1.495,584 4.376,585 0.208,586 0.013,587 0.085,588 0.05,589 0.053,590 0.027,591 0.013,592 0.015,593 0.017,594 0.006,595 0.488,596 0.17,597 1,598 0.65,599 101.372,600 -0.169,601 0.046,602 -0.012,603 0.111,604 -0.179,605 0.091,606 0.167,607 0.068,608 0.067,609 0.025,610 0.241,611 0.012,612 0.013,613 -0.173,614 0.023,615 -0.068,616 0.024,617 -0.047,618 -0.03,619 -0.091,620 -0.006,621 -0.088,622 0.027,623 -0.137,624 -0.252,625 -0.026,626 -0.193,627 -0.105,628 -0.308,629 -0.139,630 -0.009,631 0.244,632 0.022,633 0.14,634 -0.12,635 0.058,636 -0.178,637 0.038,638 -0.136,639 0.016,640 -0.181,641 0.048,642 -0.028,643 -0.105,644 -0.014,645 0.003,646 -0.065,647 0.046,648 1.421,649 2.059,650 0.727,651 16.083,652 1.009,653 1.136,654 3.541,655 12.539,656 0.694,657 3.219,658 3.555,659 3.807,660 4.043,661 4.234,662 4.234,663 4.234,664 4.331,665 4.489,666 4.443,667 5.613,668 0.653,669 338.27,670 3.219,671 4.762,672 5.609,673 6.488,674 7.348,675 8.228,676 9.092,677 9.972,678 10.839,679 11.719,680 12.8,684 2,685 1,690 2,695 3,696 2,700 7,702 12,711 2,712 1,717 2,718 39,719 12,720 1,721 24,723 41,724 15,725 10,726 3,727 3,729 3,730 4,731 2,736 3,737 1,739 3,741 10,742 5,743 1,753 1,754 1,757 17,758 5,759 5,760 7,761 2,764 5,769 0.667,776 1,781 3,785 1,802 2,807 2,810 22,811 2,816 4,817 1,820 1,828 2,836 11.667,837 6.686,838 4.778,839 2.264,840 2.28,841 1.33,842 1.002,843 4.613,844 9.193,845 3.434,846 4.043,847 4.564,848 5.063,849 5.507,850 5.532,851 5.496,852 5.712,853 6.03,854 6.167,855 1,856 35,857 8.083,859 3.441,860 7.76,861 15.449,863 12.882,865 2.26,866 49.722,870 141.253,871 58.065,872 117.376,873 78.297,877 58.065,878 219.551,879 117.376,881 9.709,882 94.223,883 51.582,884 15.7,885 4.227,886 141.253,887 78.297,888 141.253,889 175.442,891 78.297,893 129.482,894 11.771,897 14.365,898 109.495,899 129.879,901 141.253,902 117.376,903 136.363,906 141.253,907 29.637,908 28.429,909 18.011,910 177.663,911 141.253,912 117.376,913 136.363,915 0.59,916 0.346,917 0.184,918 0.095,919 17,920 8,921 0.073,922 3,923 1,924 1.125,925 3.408,926 170.594,927 0.125,928 16,929 90.107,933 15.654,934 6.484,935 3.421,937 117.376,938 5.468,939 8.329,943 4.741,945 83.805,946 394.992,947 30,956 39.342,957 44.286,958 0.313,959 0.711,960 0.851,961 0.903,962 0.903,963 0.903,964 4.682,965 1.01,966 5.609,967 3.593,968 4.234,969 4.727,970 0.278,971 6.418,972 4.097,973 5.893,974 0.857,975 7.174,976 2.565,977 3.892,978 4.62,980 7.31,981 3.633,982 7.206,983 0.184,984 8.835,985 1.944,986 5.832,987 6.909,988 0.05,989 10.393,990 5.59,991 8.551,992 -0.19,993 10.552,994 0.454,995 6.256,996 7.567,998 12.085,999 5.9,1000 9.925,1001 -0.347,1002 12.304,1003 -0.469,1004 7.704,1005 9.385,1006 0.008,1007 14.692,1008 7.361,1009 11.32,1010 -0.45,1011 14.08,1012 -0.757,1013 8.491,1014 10.408,1016 16.729,1017 8.053,1018 12.732,1019 -0.813,1020 15.875,1021 -1.159,1022 9.739,1023 12.02,1024 0.001,1025 19.158,1026 9.296,1027 3.08,1028 -0.828,1029 17.684,1030 -2.042,1031 10.701,1032 13.225,1034 21.345,1035 10.183,1036 2.962,1037 10.175,1038 19.505,1039 -2.435,1040 11.865,1041 14.738,1043 23.7,1044 11.329,1045 2.403,1046 9.636,1047 21.334,1048 4.091,1049 12.907,1050 16.034,1052 25.952,1053 12.312,1054 2.044,1055 6.876,1056 23.17,1057 3.986,1058 14.038,1059 17.495,1061 28.277,1062 13.417,1063 1.964,1064 5.803,1065 25.012,1066 2.835,1067 15.117,1068 18.839,1070 30.558,1071 14.45,1072 1.879,1073 5.755,1074 26.859,1075 2.564,1076 16.235,1077 20.272,1079 32.871,1080 15.539,1081 1.505,1082 5.104,1083 28.709,1084 2.481,1085 17.331,1086 21.641,1088 35.164,1089 16.596,1090 4878,1091 8884,1092 15.72,1093 27.074,1094 35.861,1095 36.963,1096 37.264,1097 36.049,1098 35.778,1099 45.1,1100 0.8,1101 103.811,1102 32.996,1103 5.363,1104 5.358,1105 6.048,1106 5.121,1107 5.08,1108 7.091,1109 0.8,1110 17.069,1111 4.99,1112 11.612,1113 1.494,1114 1.54,1115 1.553,1116 1.502,1117 1.491,1118 1.879,1119 0.033,1120 4.325,1121 1.375,1122 4.007,1123 4.053,1124 4.101,1125 3.903,1126 5.282,1127 3.904,1128 3.896,1129 3.92,1130 3.928,1131 3.828,1132 5.021,1133 3.825,1134 3.575,1135 3.647,1136 3.582,1137 3.388,1138 4.978,1139 3.402,1140 3.232,1141 3.323,1142 3.477,1143 3.035,1144 4.632,1145 3.03,1146 3.136,1147 3.244,1148 3.082,1149 2.889,1150 4.465,1151 2.903,1152 2.915,1153 3.021,1154 3.048,1155 2.849,1156 4.161,1157 2.815,1158 2.901,1159 2.918,1160 2.997,1161 2.722,1162 4.115,1163 2.719,1164 2.798,1165 2.903,1166 2.651,1167 2.501,1168 3.864,1169 2.512,1170 0.184,1171 0.14,1172 0.271,1173 0.169,1174 0.128,1175 4.417,1176 0.17,1177 3.358,1178 0.017,1179 6.502,1180 0.424,1181 4.049,1182 0.125,1183 3.08,1184 4.091,1185 0.4,1186 10.175,1187 2.99,1188 1.952,1189 1.912,1190 2.09,1191 2.091,1192 1.45,1193 2.091,1194 1.865,1195 1.845,1196 1.928,1197 1.951,1198 1.065,1199 1.957,1200 1.52,1201 1.455,1202 1.673,1203 1.745,1204 0.842,1205 1.737,1206 1.219,1207 1.136,1208 1.518,1209 1.466,1210 0.746,1211 1.488,1212 1.067,1213 0.978,1214 1.344,1215 1.397,1216 0.408,1217 1.387,1218 0.875,1219 0.827,1220 1.214,1221 1.197,1222 0.109,1223 1.226,1224 0.849,1225 0.79,1226 1.072,1227 1.057,1228 0.105,1229 1.072,1230 0.754,1231 0.64,1232 1,1233 0.962,1234 0.06,1235 1.004,1236 3.892,1238 5.22,1240 6.749,1242 8.373,1244 10.045,1247 12.34,1250 11.608,1252 3.468,1253 3.342,1256 0.425,1262 25.45,1263 64.431,1264 146.482,1265 175.376,1266 186.131,1267 186.131,1268 186.131,1269 35.128,1270 6.914,1271 89.85,1272 89.85,1273 18,1274 12.257,1275 3.7,1276 2.807,1277 34.607,1278 75,1279 64,1280 0.23,1281 165.548,1282 278.76,1283 395.698,1284 8818,1285 5.1,1286 15.69,1287 0.713,1288 0.612,1289 16.69,1290 13.455,1291 10.542,1292 0.439,1293 0.329,1294 7.12,1295 9.695,1296 6.915,1297 5.686,1298 11.119,1299 7.885,1300 9.784,1301 0.288,1302 0.185,1303 10.525,1304 6.293,1305 8.056,1306 0.183,1307 0.104,1308 8.773,1309 4.584,1310 6.781,1311 0.121,1312 0.06,1313 7.529,1314 3.349,1315 5.102,1316 0.075,1317 0.033,1318 5.413,1319 2.239,1320 0.359,1321 71.449,1322 0.252,1323 21.679,1324 0.631,1325 116,1326 314.654,1327 155.143,1328 373.703,1329 493.47,1330 346,1331 136,1332 322.74,1333 167.897,1334 347.989,1335 509.14,1336 328,1337 6.963}
{0 CHEMBL334021,1 1.733,2 13.714,3 4.427,4 19.602,5 128.817,6 12.547,7 0.6,8 3.965,9 4.077,10 3.993,11 3.629,12 5.11,13 3.543,14 4.448,15 4.596,16 4.459,17 4.024,18 5.572,19 3.886,20 4.669,21 4.847,22 4.746,23 4.157,24 5.711,25 3.978,26 4.671,27 4.877,28 5.352,29 4.263,30 5.694,31 3.941,32 4.611,33 4.821,34 4.436,35 4.179,36 5.543,37 3.868,38 4.583,39 4.804,40 4.594,41 4.106,42 5.537,43 3.817,44 4.505,45 4.719,46 4.906,47 3.969,48 5.535,49 3.709,50 4.251,51 4.45,52 4.276,53 3.793,54 5.282,55 3.523,56 0.049,57 0.686,58 2.126,59 4.105,60 10.756,61 4.769,62 0.224,63 1.076,64 9.989,65 8.108,66 25.357,67 8.816,68 0.246,69 1.301,70 40.653,71 13.236,72 31.226,73 11.387,74 0.468,75 1.322,76 112.142,77 16.792,78 44.694,79 12.488,80 0.15,81 1.295,82 108.886,83 18.417,84 27.695,85 14.675,86 0.202,87 1.224,88 58.864,89 14.461,90 29.096,91 12.717,92 0.152,93 1.155,94 89.576,95 16.216,96 28.353,97 11.793,98 0.333,99 0.836,100 53.803,101 11.226,102 28.805,103 9.134,104 17,105 40,106 0.295,107 0.625,108 0.75,109 0.819,110 0.836,111 0.85,112 3.373,113 1.084,114 -5.33,115 -5.22,116 -4.88,119 41.7,121 2,125 2,139 7,140 2,141 4,142 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 6,172 3,173 3,175 1,178 10,180 1,182 8,187 1,189 6,191 1,192 1,193 4,195 1,196 1,197 1,198 2,200 2,201 7,204 2,205 1,207 5,212 3,215 8,218 3,221 3,226 1,229 2,231 1,234 10,239 4,241 1,243 4,245 2,246 2,248 1,249 1,254 1,260 1,265 2,268 8,270 2,273 1364,274 18.775,275 18.775,276 18.775,277 18.775,278 18.775,279 16.366,280 23.521,281 11.376,282 19.59,283 14.822,284 14.822,285 14.822,286 14.822,287 14.822,288 11.345,289 30.783,290 5.457,291 16.325,292 3.852,293 1.909,294 1.175,295 0.766,296 0.667,297 0.583,298 4.056,302 1,303 814,304 3.162,307 323.547,314 2.449,315 21.514,318 0.75,319 0.83,320 0.83,321 0.7,322 0.5,323 0.83,324 1,325 0.78,326 58.8,327 384,328 4.401,329 3.402,330 6.426,331 3.944,332 3.037,333 4.088,334 0.86,335 9.825,336 2.81,337 4.225,338 3.079,339 6.087,340 3.784,341 2.85,342 3.873,343 0.86,344 8.831,345 2.539,346 3.896,347 2.871,348 5.34,349 3.467,350 2.522,351 3.444,352 0.68,353 6.965,354 2.382,355 3.598,356 2.549,357 5.283,358 3.225,359 2.28,360 2.93,362 6.725,363 2.104,364 3.364,365 2.461,366 4.922,367 2.944,368 2.007,369 2.663,371 5.656,372 1.868,373 3.232,374 2.222,375 4.879,376 2.657,377 1.879,378 2.481,380 5.225,381 1.595,382 2.959,383 2.055,384 4.145,385 2.639,386 1.717,387 2.119,389 3.706,390 1.377,391 2.825,392 1.796,393 3.85,394 2.412,395 1.464,396 1.953,398 3.52,399 1.314,400 2.661,401 1.543,402 3.642,403 2.344,404 1.403,405 1.672,407 3.073,408 1.135,409 2.5,410 1.379,411 3.39,412 2,413 1,414 1.5,415 2.228,416 1,417 2.084,418 1,419 3.247,420 1.816,421 0.975,422 1.054,423 2.136,424 0.749,425 1.654,426 0.933,427 3.032,428 1.373,429 0.453,430 0.521,431 1.091,432 0.395,433 1.43,434 0.616,435 2.718,436 1.097,437 0.249,438 0.283,439 0.578,440 0.144,441 1,442 0.171,443 2.653,444 0.653,445 -0.253,446 -0.288,448 -0.585,449 -0.084,450 0.961,451 0.093,452 2.359,453 0.403,454 -0.347,455 -0.445,457 -0.898,458 -0.134,459 15.552,460 0.555,461 0.647,462 0.023,463 37.5,464 1.339,465 20,466 0.714,467 17.5,468 0.625,469 27.424,470 0.979,471 28.248,472 0.588,473 21.602,474 0.771,475 6.893,476 0.246,477 6.632,478 0.237,479 0.263,481 0.257,485 1.012,486 1.024,487 0.474,488 0.536,489 1.183,490 0.722,491 1.094,492 0.833,493 0.573,494 0.602,495 0.718,496 0.796,497 1.417,498 1.056,499 0.918,500 0.961,501 1.04,502 0.958,503 1.214,504 0.753,505 0.683,506 0.636,507 1.101,508 0.847,509 0.677,510 1.183,511 1.753,512 1.664,513 0.891,514 1.387,515 0.966,516 1.018,517 1.249,518 1.149,519 1.033,520 1.052,521 1.053,522 1.385,523 1.833,524 1.885,525 0.699,526 1.232,527 1.144,528 0.77,529 1.437,530 1.256,531 0.926,532 0.983,533 5.5,534 0.12,535 2.667,536 1.875,537 1.449,538 0.583,539 0.628,540 0.351,541 0.329,542 0.161,543 11192,544 35129,545 2.034,546 41.7,547 2,548 11,550 1,551 4,554 2,555 1.704,556 1.909,557 3.683,558 1.698,563 2,564 83.201,565 1.733,566 3.676,567 4.41,568 4.819,569 4.918,570 5.002,571 3.183,572 4.182,573 4.774,574 3.906,575 1476.32,576 8.268,577 20917.5,582 268.078,583 1.379,584 4.74,585 0.183,586 0.006,587 0.067,588 0.047,589 0.043,590 0.019,591 0.021,592 0.012,593 0.014,594 0.006,595 0.418,597 0.88,598 0.573,599 144.872,600 -0.106,601 0.025,602 -0.003,603 0.018,604 -0.214,605 0.037,606 0.046,607 0.15,608 0.012,609 0.061,610 0.154,611 0.035,612 -0.159,613 -0.085,614 -0.01,615 -0.04,616 -0.09,617 -0.03,618 -0.038,619 0.221,620 0.232,621 0.298,622 -0.05,623 0.106,624 -0.035,625 -0.181,626 -0.189,627 -0.239,628 -0.101,629 -0.258,630 -0.068,631 -0.037,632 -0.056,633 -0.003,634 -0.114,635 -0.01,636 0.07,637 -0.404,638 -0.058,639 -0.291,640 0.26,641 -0.057,642 0.157,643 0.186,644 -0.092,645 0.015,646 0.107,647 0.081,648 1.481,649 2.489,650 0.643,651 33.908,652 1.003,653 1.116,654 4.101,655 16.821,656 0.773,657 3.434,658 3.714,659 3.912,660 4.111,661 4.263,662 4.22,663 4.22,664 4.304,665 4.419,666 4.369,667 7.919,668 0.685,669 602.24,670 3.434,671 4.949,672 5.765,673 6.613,674 7.444,675 8.296,676 9.133,677 9.989,678 10.831,679 11.688,680 8.3,684 2,690 2,695 8,696 2,700 8,702 18,711 2,716 2,717 2,718 48,719 18,720 2,721 30,723 50,724 20,725 16,726 5,727 7,729 3,730 3,739 2,741 16,742 4,757 20,758 6,759 4,760 8,761 2,762 2,764 4,769 1,770 2,776 1,781 3,802 3,809 2,810 28,811 2,816 4,818 2,828 2,829 4.2,834 2,836 14.667,837 8.352,838 6.25,839 2.67,840 2.977,841 1.418,842 1.004,843 8.125,844 10.1,845 3.689,846 4.27,847 4.773,848 5.276,849 5.753,850 5.759,851 5.883,852 6.249,853 6.603,854 6.826,855 1,856 40,857 10.285,859 4.18,860 7.663,861 19.717,863 15.522,865 2.163,866 60.573,870 188.338,871 227.603,872 99.365,874 22,876 113.564,877 114.039,878 210.337,879 99.365,881 14.254,882 132.128,883 45.342,884 51.224,885 4.227,886 290.131,888 188.338,889 213.405,890 22,892 113.564,893 164.795,894 45.542,897 25.2,898 154.633,899 33.571,900 113.564,901 188.338,902 121.365,903 114.039,904 113.564,906 188.338,907 38.658,908 188.945,910 121.365,911 188.338,912 121.365,913 114.039,914 113.564,915 0.572,916 0.325,917 0.171,918 0.088,919 17,920 8,921 0.16,922 8,924 1,925 4.123,926 221.574,928 18,929 124.606,933 21.538,934 10.563,935 6.423,937 121.365,938 15.647,939 8.041,943 6.452,945 65.794,946 537.306,947 39,956 48.152,957 53.59,958 0.31,959 0.658,960 0.79,961 0.863,962 0.881,963 0.896,964 4.894,965 1.464,966 5.727,967 3.706,968 4.394,969 4.956,970 1.586,971 6.469,972 4.206,973 6.086,974 1.403,975 7.245,976 3.52,977 3.892,978 4.691,980 7.222,981 3.498,982 7.374,983 1,984 8.862,985 3.073,986 5.922,987 7.112,988 1.285,989 10.296,990 5.591,991 8.696,992 0.975,993 10.538,994 2.228,995 6.217,996 7.625,998 11.873,999 5.687,1000 10.048,1001 0.453,1002 12.252,1003 2.136,1004 7.715,1005 9.536,1006 1.035,1007 14.455,1008 7.23,1009 11.421,1010 0.249,1011 13.992,1012 1.091,1013 8.404,1014 10.433,1016 16.395,1017 7.736,1018 12.811,1019 -0.253,1020 15.753,1021 0.578,1022 9.67,1023 12.105,1024 0.828,1025 18.792,1026 9.015,1027 3.037,1028 -0.347,1029 17.528,1030 -0.585,1031 10.561,1032 13.212,1034 20.901,1035 9.746,1036 2.85,1037 9.825,1038 19.316,1039 -0.898,1040 11.722,1041 14.757,1042 0.656,1043 23.222,1044 10.89,1045 2.522,1046 8.831,1047 21.114,1048 4.088,1049 12.714,1050 15.983,1052 25.412,1053 11.746,1054 2.28,1055 6.965,1056 22.919,1057 3.873,1058 13.831,1059 17.459,1060 0.515,1061 27.702,1062 12.822,1063 2.007,1064 6.725,1065 24.732,1066 3.444,1067 14.872,1068 18.754,1070 29.932,1071 13.749,1072 1.879,1073 5.656,1074 26.55,1075 2.93,1076 15.972,1077 20.192,1078 0.401,1079 32.21,1080 14.792,1081 1.717,1082 5.225,1083 28.373,1084 2.663,1085 17.038,1086 21.528,1088 34.461,1089 15.759,1090 10807,1091 19323,1092 19.879,1093 37.103,1094 43.86,1095 44.721,1096 44.589,1097 44.176,1098 43.675,1099 57.164,1100 4.8,1101 119.122,1102 38.823,1103 5.319,1104 5.402,1105 6.228,1106 5.033,1107 5.037,1108 7.088,1109 1.72,1110 16.659,1111 4.81,1112 13.831,1113 1.462,1114 1.491,1115 1.486,1116 1.473,1117 1.456,1118 1.905,1119 0.16,1120 3.971,1121 1.294,1122 3.983,1123 4.011,1124 10.699,1125 4.127,1126 5.291,1127 3.934,1128 3.889,1129 3.915,1130 10.692,1131 3.815,1132 4.979,1133 3.809,1134 3.803,1135 3.84,1136 3.888,1137 3.71,1138 4.87,1139 3.688,1140 3.576,1141 3.632,1142 3.819,1143 3.646,1144 4.788,1145 3.402,1146 3.221,1147 3.292,1148 3.676,1149 3.411,1150 4.459,1151 3.06,1152 3.055,1153 3.143,1154 3.422,1155 3.221,1156 4.374,1157 2.92,1158 2.969,1159 3.053,1160 3.079,1161 2.811,1162 4.247,1163 2.808,1164 2.863,1165 2.925,1166 2.924,1167 2.784,1168 3.748,1169 2.72,1170 0.147,1171 0.113,1172 0.214,1173 0.131,1174 0.101,1175 4.401,1176 0.136,1177 3.402,1178 0.029,1179 6.426,1180 0.327,1181 3.944,1182 0.094,1183 3.037,1184 4.088,1185 0.86,1186 9.825,1187 2.81,1188 1.935,1189 1.919,1190 2.005,1191 2.025,1192 1.229,1193 2.023,1194 1.874,1195 1.849,1196 1.984,1197 1.981,1198 1.16,1199 1.987,1200 1.732,1201 1.693,1202 1.848,1203 1.88,1204 1.031,1205 1.876,1206 1.564,1207 1.507,1208 1.748,1209 1.754,1210 0.878,1211 1.777,1212 1.158,1213 1.101,1214 1.353,1215 1.417,1216 0.461,1217 1.412,1218 0.96,1219 0.903,1220 1.269,1221 1.314,1222 0.374,1223 1.305,1224 0.888,1225 0.857,1226 1.21,1227 1.222,1228 0.218,1229 1.232,1230 0.886,1231 0.821,1232 1.181,1233 1.062,1234 0.173,1235 1.107,1236 4.111,1238 5.398,1240 6.874,1242 8.442,1244 10.056,1249 4.59,1250 11.5,1252 2.661,1254 11.682,1262 32.89,1263 83.201,1264 176.427,1265 211.672,1266 231.323,1267 236.078,1268 240.078,1269 44.979,1270 7.122,1271 96.28,1272 96.28,1273 18,1274 12.244,1275 4.248,1276 3.322,1277 50.113,1278 132,1279 132,1280 0.181,1281 224.43,1282 373.16,1283 539.369,1284 12694,1285 4.2,1286 19.933,1287 0.712,1288 0.692,1289 22.933,1290 19.384,1291 13.525,1292 0.451,1293 0.361,1294 8.697,1295 11.721,1296 8.39,1297 6.931,1298 15.257,1299 10.839,1300 11.989,1301 0.3,1302 0.21,1303 14.214,1304 8.392,1305 9.492,1306 0.194,1307 0.113,1308 11.483,1309 5.519,1310 7.792,1311 0.13,1312 0.08,1313 10.71,1314 4.791,1315 5.754,1316 0.082,1317 0.035,1318 6.921,1319 2.447,1320 0.295,1321 111.541,1322 0.224,1323 27.651,1324 0.465,1325 140,1326 418.683,1327 450.955,1328 487.549,1329 642.22,1330 454,1331 159,1332 411.5,1333 292.788,1334 446.228,1335 647.95,1336 419,1337 5.801}
{0 CHEMBL334198,1 1.79,2 7.9,3 3.365,4 11.321,5 85.205,6 9.557,7 0.727,8 3.604,9 3.727,10 3.424,11 3.234,12 4.82,13 3.193,14 4.043,15 4.187,16 3.874,17 3.63,18 5.273,19 3.559,20 4.204,21 4.352,22 3.911,23 3.74,24 5.345,25 3.625,26 4.215,27 4.384,28 3.893,29 3.653,30 5.422,31 3.52,32 4.217,33 4.449,34 3.518,35 3.49,36 5.302,37 3.375,38 4.109,39 4.35,40 3.405,41 3.413,42 5.062,43 3.272,44 3.95,45 4.162,46 3.325,47 3.286,48 5.062,49 3.163,50 3.848,51 4.1,52 3.051,53 3.003,54 4.972,55 2.875,56 0.083,57 0.534,58 4.608,59 2.464,60 10.808,61 2.66,62 0.182,63 0.819,64 9.461,65 4.63,66 17.6,67 5.501,68 0.193,69 0.932,70 16.82,71 6.117,72 17.923,73 6.109,74 0.264,75 0.937,76 20.572,77 6.505,78 22.624,79 6.746,80 0.345,81 0.89,82 16.312,83 4.763,84 35.874,85 5.082,86 0.189,87 0.716,88 17.184,89 6.033,90 17.699,91 7.682,92 0.17,93 0.605,94 13.945,95 4.635,96 19.748,97 5.451,98 0.229,99 0.496,100 15.062,101 4.012,102 25.882,103 5.045,104 17,105 32,106 0.332,107 0.717,108 0.807,109 0.877,110 0.877,111 0.877,112 3.059,113 0.966,114 -4.75,115 -4.67,116 -4.39,119 40.6,120 1,139 4,140 2,141 2,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 4,169 1,170 2,172 3,173 4,175 4,178 9,180 1,182 2,187 2,189 5,191 1,193 3,195 1,196 2,197 3,198 4,200 4,201 5,204 2,205 1,207 1,212 3,215 5,218 2,221 2,226 4,229 4,231 2,234 3,239 2,241 4,243 2,246 3,251 3,256 3,260 2,265 3,270 3,273 456,274 13.171,275 13.171,276 13.171,277 13.171,278 13.171,279 11.115,280 12.574,281 7.6,282 13.719,283 10.862,284 10.862,285 10.862,286 10.862,287 10.862,288 7.814,289 13.467,290 3.641,291 11.86,292 3.21,293 1.136,294 0.649,295 0.274,296 0.274,297 0.274,298 3.732,299 1,300 1,301 1,302 1,303 338,304 2.236,306 38.118,307 110.045,310 74.517,314 1.22,315 16.563,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 42.833,327 158,328 4.7,329 4.577,330 6.875,331 4.215,332 3.261,333 4.676,334 2.95,335 11.407,336 3.118,337 4.064,338 3.381,339 5.795,340 3.592,341 2.687,342 3.663,344 8.017,345 2.403,346 3.819,347 2.976,348 5.434,349 3.347,350 2.433,351 3.309,353 7.053,354 2.216,355 3.45,356 2.768,357 5.14,358 2.976,359 2.075,360 2.82,362 6.058,363 1.868,364 3.325,365 2.303,366 4.965,367 2.828,368 1.942,369 2.614,371 5.614,372 1.691,373 3.139,374 2.005,375 4.72,376 2.667,377 1.744,378 2.379,380 5.07,381 1.55,382 2.67,383 1.725,384 4.206,385 2.19,386 1.243,387 1.747,389 3.33,390 1.152,391 2.513,392 1.366,393 3.482,394 2.083,395 1.136,396 1.517,398 2.583,399 1.063,400 1.326,401 0.647,402 3.028,403 0.923,404 0.044,405 0.054,407 0.124,408 0.037,409 1.143,410 0.366,411 2.724,412 0.734,413 -0.185,414 -0.233,415 -0.481,416 -0.17,417 0.955,418 0.201,419 2.517,420 0.485,421 -0.393,422 -0.501,423 -0.901,424 -0.256,425 0.843,426 0.012,427 2.274,428 0.362,429 -0.474,430 -0.586,431 -1.201,432 -0.407,433 0.586,434 -0.306,435 2,436 0.221,437 -0.688,438 -0.816,439 -1.706,440 -0.611,441 0.275,442 -0.611,443 1.861,444 -0.11,445 -1.049,446 -1.401,448 -2.884,449 -0.971,450 0.043,451 -1.066,452 1.563,453 -0.378,454 -1.307,455 -1.782,457 -3.412,458 -1.119,459 10.048,460 0.502,461 0.63,462 0.032,463 28.75,464 1.438,465 15.5,466 0.775,467 13.25,468 0.663,469 14.297,470 0.715,471 20.552,472 0.642,473 17.943,474 0.897,475 5.529,476 0.276,477 4.013,478 0.201,479 0.2,481 0.398,485 1.047,486 1.027,487 0.629,488 0.64,489 1.229,490 0.657,491 0.422,492 0.838,493 0.606,494 0.776,495 0.362,496 0.73,497 1.223,498 1.238,499 1.301,500 1.227,501 1.029,502 1.046,503 0.748,504 1.239,505 1.131,506 1.395,507 0.631,508 1.234,509 1.553,510 0.824,511 1.034,512 0.843,513 1.612,514 0.985,515 0.43,516 1.011,517 0.711,518 1.027,519 0.445,520 0.992,521 1.136,522 1.069,523 1.092,524 1.041,525 1.114,526 1.085,527 1.246,528 0.981,529 1.12,530 0.935,531 1.288,532 1.065,533 5,534 0.012,535 2,536 2.417,537 1.192,538 0.667,539 0.336,540 0.26,541 0.142,542 0.09,543 3597,544 12168,545 2.048,546 37.5,547 3,548 4,551 5,555 1.619,556 1.875,557 2.994,558 2.917,560 1,562 1,564 57.265,565 1.79,566 3.864,567 4.351,568 4.726,569 4.726,570 4.726,571 2.466,572 4.022,573 4.295,574 3.119,575 592.547,576 7.343,577 5932.81,578 1,579 1,580 1,581 1,582 160,583 1.522,584 4.231,585 0.227,586 0.006,587 0.063,588 0.078,589 0.044,590 0.033,591 0.018,592 0.015,593 0.012,594 0.011,595 0.508,596 0.17,597 1,598 0.68,599 87.47,600 -0.256,601 0.104,602 -0.004,603 0.18,604 -0.374,605 0.132,606 0.353,607 0.23,608 0.173,609 0.157,610 0.325,611 0.157,612 -0.283,613 -0.146,614 -0.205,615 -0.106,616 -0.217,617 -0.128,618 0.18,619 -0.162,620 -0.075,621 -0.28,622 0.24,623 -0.298,624 -0.491,625 0.234,626 -0.199,627 0.06,628 -0.525,629 -0.088,630 0.261,631 -0.168,632 0.157,633 -0.036,634 0.234,635 0.098,636 -0.162,637 -0.169,638 -0.106,639 -0.111,640 -0.105,641 -0.09,642 -0.061,643 -0.168,644 -0.053,645 -0.079,646 -0.062,647 -0.037,648 1.504,649 1.907,650 0.75,651 13.08,652 1.014,653 1.126,654 3.525,655 12.422,656 0.737,657 3.135,658 3.497,659 3.761,660 4.078,661 4.234,662 4.317,663 4.357,664 4.454,665 4.443,666 4.331,667 4.863,668 0.695,669 305.82,670 3.135,671 4.691,672 5.549,673 6.45,674 7.326,675 8.234,676 9.118,677 10.028,678 10.918,679 11.831,680 15.6,684 2,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,717 1,718 32,719 16,720 1,721 22,723 34,724 13,725 12,726 2,727 4,729 3,730 4,731 1,734 1,741 12,742 1,753 1,754 1,757 12,758 4,759 5,760 7,761 2,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 1,807 1,810 20,811 2,819 1,828 1,836 10.667,837 5.96,838 4.278,839 1.666,840 3.113,841 1.461,842 1.042,843 3.498,844 9.859,845 3.434,846 4.139,847 4.768,848 5.43,849 5.933,850 6.254,851 6.602,852 7.031,853 7.22,854 7.419,855 1,856 31,857 7.299,859 3.098,860 7.789,861 13.751,863 11.208,865 2.289,866 45.778,870 82.398,871 96.824,872 116.151,873 39.149,876 32.22,877 64.604,878 121.546,879 116.151,880 8.825,882 103.699,883 35.286,884 28.717,885 4.227,886 114.617,887 39.149,888 82.398,889 180.755,891 71.368,893 82.398,897 30.347,898 116.837,899 72.72,900 32.22,901 82.398,902 116.151,903 135.972,906 82.398,907 50.094,908 46.73,909 16.786,910 138.514,911 82.398,912 116.151,913 135.972,915 0.594,916 0.343,917 0.194,918 0.1,919 17,920 8,921 0.059,922 2,923 1,924 1.133,925 3.181,926 154.055,927 0.133,928 15,929 86.439,930 1,933 13.55,934 5.163,935 2.598,936 1.459,937 99.365,938 7.647,939 8.16,940 3.222,943 4.241,945 82.58,946 334.521,947 30,956 32.444,957 36.016,958 0.358,959 0.773,960 0.87,961 0.945,962 0.945,963 0.945,964 4.673,965 1.136,966 5.565,967 3.33,968 4.174,969 4.824,970 2.913,971 6.405,972 4.007,973 5.93,974 0.044,975 7.143,976 2.583,977 3.892,978 4.808,980 7.334,981 3.624,982 7.268,983 -0.185,984 8.817,985 0.124,986 5.796,987 7.15,988 5.027,989 10.467,990 5.498,991 8.641,992 -0.393,993 10.547,994 -0.481,995 6.275,996 7.927,998 12.247,999 5.911,1000 10.044,1001 -0.474,1002 12.314,1003 -0.901,1004 7.713,1005 9.786,1006 7.185,1007 14.925,1008 7.32,1009 11.469,1010 -0.688,1011 14.109,1012 -1.201,1013 8.561,1014 10.961,1016 17.091,1017 8.126,1018 12.915,1019 -1.049,1020 15.927,1021 -1.706,1022 9.82,1023 12.623,1024 9.348,1025 19.608,1026 9.354,1027 3.261,1028 -1.307,1029 17.764,1030 -2.884,1031 10.844,1032 13.993,1034 21.937,1035 10.344,1036 2.687,1037 11.407,1038 19.617,1039 -3.412,1040 12.038,1041 15.576,1042 11.511,1043 24.399,1044 11.506,1045 2.433,1046 8.017,1047 21.483,1048 4.676,1049 13.144,1050 17.039,1052 26.792,1053 12.578,1054 2.075,1055 7.053,1056 23.36,1057 3.663,1058 14.318,1059 18.592,1060 13.675,1061 29.235,1062 13.719,1063 1.942,1064 6.058,1065 25.247,1066 3.309,1067 15.461,1068 20.097,1070 31.653,1071 14.826,1072 1.744,1073 5.614,1074 27.141,1075 2.82,1076 16.633,1077 21.64,1078 15.838,1079 34.09,1080 15.961,1081 1.243,1082 5.07,1083 29.042,1084 2.614,1085 17.793,1086 23.164,1088 36.517,1089 17.084,1090 3545,1091 6628,1092 14.334,1093 23.58,1094 33.542,1095 36.183,1096 34.927,1097 33.277,1098 33.126,1099 45.558,1100 5.9,1101 98.513,1102 30.197,1103 5.47,1104 6.577,1105 6.431,1106 5.367,1107 5.261,1108 7.676,1109 5.9,1110 18.555,1111 5.118,1112 10.629,1113 1.525,1114 1.645,1115 1.588,1116 1.513,1117 1.506,1118 2.071,1119 0.268,1120 4.478,1121 1.373,1122 4.11,1123 4.15,1124 4.197,1125 4.009,1126 5.319,1127 4.009,1128 3.868,1129 3.888,1130 3.982,1131 3.825,1132 4.981,1133 3.812,1134 3.441,1135 3.519,1136 3.624,1137 3.248,1138 4.936,1139 3.252,1140 3.132,1141 3.242,1142 3.288,1143 2.945,1144 4.741,1145 2.896,1146 3.015,1147 3.143,1148 3.051,1149 2.798,1150 4.317,1151 2.785,1152 2.888,1153 2.922,1154 2.958,1155 2.754,1156 4.101,1157 2.741,1158 2.863,1159 2.905,1160 2.776,1161 2.703,1162 3.86,1163 2.714,1164 2.49,1165 2.631,1166 2.43,1167 2.26,1168 3.654,1169 2.22,1170 0.214,1171 0.208,1172 0.313,1173 0.192,1174 0.148,1175 4.7,1176 0.213,1177 4.577,1178 0.134,1179 6.875,1180 0.518,1181 4.215,1182 0.142,1183 3.261,1184 4.676,1185 2.95,1186 11.407,1187 3.118,1188 1.875,1189 1.861,1190 1.941,1191 2.01,1192 1.081,1193 1.972,1194 1.826,1195 1.788,1196 1.886,1197 1.925,1198 1.01,1199 1.951,1200 1.532,1201 1.482,1202 1.679,1203 1.713,1204 0.714,1205 1.721,1206 1.084,1207 0.996,1208 1.31,1209 1.416,1210 0.351,1211 1.405,1212 0.945,1213 0.826,1214 1.263,1215 1.35,1216 0.176,1217 1.342,1218 0.872,1219 0.824,1220 1.11,1221 1.029,1222 0.11,1223 1.076,1224 0.849,1225 0.809,1226 1.014,1227 0.994,1229 1.035,1230 0.624,1231 0.516,1232 0.959,1233 0.906,1235 0.938,1236 3.807,1238 5.153,1239 2.398,1240 6.686,1241 4.844,1242 8.309,1243 7.034,1244 9.981,1246 1.974,1247 5.993,1250 11.517,1255 1.565,1262 22.229,1263 57.265,1264 123.635,1265 139.245,1266 151.245,1267 151.245,1268 151.245,1269 24.762,1270 6.746,1271 93.61,1272 118.91,1273 17,1274 12.349,1275 4.087,1276 3.17,1277 29.932,1278 58,1279 52,1280 0.262,1281 146.234,1282 233.92,1283 348.571,1284 6577,1285 3.1,1286 14.276,1287 0.714,1288 0.611,1289 15.129,1290 12.217,1291 9.542,1292 0.434,1293 0.322,1294 5.926,1295 8.515,1296 5.649,1297 4.691,1298 10.239,1299 7.085,1300 9.12,1301 0.285,1302 0.183,1303 10.197,1304 5.849,1305 7.318,1306 0.174,1307 0.101,1308 8.353,1309 4.255,1310 6.658,1311 0.115,1312 0.056,1313 7.845,1314 3.247,1315 4.752,1316 0.07,1317 0.031,1318 5.825,1319 2.12,1320 0.397,1321 66.31,1322 0.264,1323 19.619,1324 0.753,1325 108,1326 307.311,1327 158.191,1328 359.445,1329 489.74,1330 334,1331 128,1332 335.183,1333 167.465,1334 367.728,1335 539.53,1336 346,1337 4.321}
{0 CHEMBL334271,1 1.891,2 10.077,3 3.342,4 11.171,5 102.269,6 10.556,7 0.607,8 3.801,9 3.911,10 3.642,11 3.382,12 5.09,13 3.384,14 4.266,15 4.413,16 4.08,17 3.784,18 5.559,19 3.764,20 4.477,21 4.602,22 4.397,23 3.989,24 5.783,25 3.947,26 4.62,27 4.79,28 4.249,29 3.95,30 5.943,31 3.891,32 4.679,33 4.91,34 3.984,35 3.871,36 5.862,37 3.8,38 4.533,39 4.727,40 3.989,41 3.785,42 5.895,43 3.699,44 4.364,45 4.565,46 3.862,47 3.638,48 5.645,49 3.562,50 4.221,51 4.417,52 3.918,53 3.525,54 5.649,55 3.453,56 0.171,57 0.611,58 3.161,59 2.675,60 16.483,61 2.718,62 0.391,63 0.915,64 9.047,65 4.884,66 33.05,67 5.527,68 0.486,69 1.075,70 18.626,71 6.2,72 42.438,73 6.266,74 0.64,75 1.191,76 19.537,77 7.6,78 56.548,79 8.538,80 0.754,81 1.176,82 23.922,83 7.926,84 80.495,85 8.664,86 0.768,87 0.941,88 25.944,89 7.792,90 85.033,91 8.663,92 0.582,93 0.802,94 20.559,95 6.596,96 68.719,97 7.333,98 0.528,99 0.675,100 17.187,101 5.457,102 58.971,103 6.473,104 51,105 41,106 0.334,107 0.717,108 0.819,109 0.849,110 0.849,111 0.849,112 3.305,113 0.909,114 -4.69,115 -4.61,116 -4.34,119 41,120 1,125 1,139 2,140 3,141 4,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,166 3,169 3,170 7,172 3,173 3,175 1,178 6,180 1,182 4,187 1,189 4,191 1,192 2,193 12,195 3,196 3,197 1,198 3,200 2,201 5,204 3,205 1,207 2,212 1,215 2,218 1,220 3,221 6,223 1,224 1,226 2,229 6,231 2,234 1,241 3,245 2,246 6,248 2,249 2,251 2,254 5,256 2,260 1,268 2,273 920,274 16.955,275 16.955,276 16.955,277 16.955,278 16.955,279 14.612,280 21.165,281 9.536,282 17.638,283 13.669,284 13.669,285 13.669,286 13.669,287 13.669,288 10.165,289 28.752,290 4.392,291 14.957,292 3.394,293 1.228,294 0.654,295 0.481,296 0.481,297 0.481,298 3.977,299 3,301 1,302 1,303 551,304 3.162,307 224.648,311 118.275,314 1.396,315 34.423,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 57,327 262,328 4.656,329 3.528,330 6.838,331 4.192,332 3.22,333 4.616,334 1.23,335 11.245,336 3.135,337 4.395,338 3.354,339 6.387,340 3.945,341 3.04,342 4.078,343 0.521,344 9.706,345 2.749,346 3.957,347 3.197,348 6.05,349 3.587,350 2.677,351 3.426,353 8.553,354 2.428,355 3.753,356 2.7,357 5.748,358 3.363,359 2.434,360 3.065,362 7.641,363 2.15,364 3.452,365 2.623,366 5.097,367 2.971,368 2.037,369 2.86,371 5.912,372 1.893,373 3.37,374 2.451,375 5.01,376 2.894,377 1.968,378 2.693,380 5.794,381 1.814,382 3.232,383 2.183,384 4.879,385 2.707,386 1.879,387 2.481,389 5.225,390 1.441,391 2.847,392 2.047,393 4.445,394 2.428,395 1.469,396 1.884,398 4.094,399 1.378,400 2.694,401 1.831,402 4.157,403 2.258,404 1.301,405 1.751,407 3.364,408 1.235,409 2.034,410 1.613,411 3.176,412 1.536,413 0.518,414 0.699,415 1.067,416 0.514,417 1.628,418 1.197,419 2.967,420 1.167,421 0.425,422 0.478,423 0.911,424 0.24,425 1.388,426 0.535,427 2.823,428 0.885,433 1.192,434 0.173,435 2.681,436 0.835,437 -0.118,438 -0.145,439 -0.301,440 -0.112,441 1,442 0.111,443 2.653,444 0.477,445 -0.347,446 -0.445,448 -0.898,449 -0.229,450 0.934,451 -0.23,452 2.442,453 0.473,454 -0.438,455 -0.566,457 -1.128,458 -0.396,459 12.876,460 0.495,461 0.86,462 0.033,463 36.75,464 1.413,465 19,466 0.731,467 17.75,468 0.683,469 21.412,470 0.824,471 27.324,472 0.701,473 27.522,474 1.059,475 7.251,476 0.279,477 5.061,478 0.195,479 0.293,481 0.419,485 0.808,486 1.321,487 0.506,488 0.721,489 0.788,490 0.699,491 0.637,492 0.817,493 0.537,494 0.558,495 0.561,496 0.61,497 0.883,498 1.324,499 0.749,500 0.96,501 0.721,502 0.971,503 0.71,504 1.162,505 0.7,506 1.135,507 0.811,508 1.192,509 1.1,510 0.885,511 0.745,512 0.789,513 1.16,514 0.936,515 0.969,516 0.798,517 1.061,518 1.114,519 1.128,520 1.133,521 1.083,522 0.99,523 0.891,524 0.925,525 1.235,526 0.946,527 0.777,528 0.921,529 0.904,530 0.86,531 0.736,532 0.86,533 6.5,534 0.14,535 3.778,536 2.625,537 2.333,538 0.979,539 0.648,540 0.526,541 0.291,542 0.294,543 7124,544 30087,545 1.97,546 33.3,547 3,548 4,550 2,551 4,555 1.693,556 1.773,557 3.281,558 1.849,559 1,560 1,564 73.76,565 1.891,566 4.058,567 4.631,568 4.805,569 4.805,570 4.805,571 2.716,572 4.162,573 4.676,574 3.421,575 1111.91,576 8.111,577 13537.1,579 1,581 1,582 206.131,583 1.558,584 4.588,585 0.232,586 0.009,587 0.092,588 0.057,589 0.057,590 0.029,591 0.021,592 0.019,593 0.011,594 0.015,595 0.541,596 0.17,597 1,598 0.871,599 125.784,600 -0.169,601 -0.124,602 -0.017,603 0.049,604 -0.17,605 0.056,606 0.101,607 0.308,608 0.102,609 0.289,610 0.089,611 0.24,612 -0.075,613 -0.239,614 0.078,615 -0.074,616 -0.054,617 -0.124,618 0.132,619 -0.136,620 0.033,621 -0.236,622 0.064,623 -0.264,624 -0.209,625 0.097,626 -0.003,627 0.142,628 -0.183,629 0.077,630 0.065,631 0.113,632 -0.092,633 -0.103,634 0.038,635 -0.096,636 -0.085,637 -0.089,638 0.035,639 0.087,640 -0.086,641 0.11,642 0.226,643 0.01,644 0.142,645 0.155,646 0.268,647 0.175,648 1.616,649 4.624,650 0.615,651 20.26,652 1.034,653 1.131,654 3.465,655 12.006,656 0.74,657 3.367,658 3.738,659 4.025,660 4.277,661 4.489,662 4.564,663 4.575,664 4.654,665 4.718,666 4.745,667 5.886,668 0.717,669 411.7,670 3.367,671 4.934,672 5.802,673 6.701,674 7.583,675 8.484,676 9.371,677 10.272,678 11.161,679 12.063,680 15.4,684 2,687 1,690 3,694 2,695 3,696 3,700 8,702 17,711 2,717 3,718 39,719 18,720 1,721 28,723 41,724 16,725 13,726 4,727 2,729 3,730 4,731 3,734 1,741 14,742 2,744 1,748 1,749 1,754 1,757 13,758 7,759 4,760 10,761 3,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,791 1,802 2,806 1,807 3,810 26,811 2,816 1,821 1,828 3,829 2.6,832 1,836 14.667,837 7.395,838 5.694,839 2.029,840 3.307,841 1.46,842 0.997,843 5.389,844 10.501,845 3.651,846 4.331,847 4.956,848 5.562,849 6.129,850 6.436,851 6.716,852 7.082,853 7.441,854 7.599,855 0.857,856 46,857 9.504,859 4.07,860 8.058,861 17.395,863 13.976,865 2.558,866 66.5,870 105.94,871 78.071,872 119.275,873 117.446,874 25.145,877 78.071,878 248.531,879 119.275,880 8.825,881 5.23,882 84.747,883 110.039,884 32.965,885 4.227,886 82.398,887 117.446,888 105.94,889 197.346,890 25.145,891 117.446,893 107.655,894 25.145,897 25.002,898 120.273,899 167.803,901 105.94,902 144.42,903 195.517,906 105.94,907 30.251,908 50.945,910 258.742,911 105.94,912 144.42,913 195.517,915 0.597,916 0.365,917 0.193,918 0.101,919 20,920 11,921 0.073,922 3,923 1,924 1.125,925 3.57,926 222.184,927 0.125,928 16,929 114.211,933 18.92,934 7.406,935 3.671,936 0.987,937 144.42,938 4.734,939 12.304,943 3.07,945 65.794,946 445.877,947 37.5,951 11.624,952 0.669,956 40.327,957 44.107,958 0.358,959 0.768,960 0.876,961 0.909,962 0.909,963 0.909,964 4.907,965 1.469,966 5.832,967 5.225,968 4.419,969 5.017,970 1.487,971 6.693,972 4.251,973 6.164,974 1.301,975 7.437,976 4.094,977 4.205,978 5.047,979 0.325,980 7.684,981 3.913,982 7.506,983 0.518,984 9.136,985 3.364,986 6.075,987 7.332,988 1.615,989 10.793,990 5.788,991 8.883,992 0.425,993 10.887,994 1.067,995 6.608,996 8.126,997 0.74,998 12.555,999 6.222,1000 10.287,1002 12.671,1003 0.911,1004 8.012,1005 9.946,1006 1.853,1007 15.211,1008 7.625,1009 11.712,1010 -0.118,1011 14.476,1013 8.879,1014 11.106,1015 1.168,1016 17.316,1017 8.426,1018 13.154,1019 -0.347,1020 16.298,1021 -0.301,1022 10.113,1023 12.742,1024 2.14,1025 19.806,1026 9.647,1027 3.22,1028 -0.438,1029 18.134,1030 -0.898,1031 11.133,1032 14.085,1033 1.605,1034 22.07,1035 10.621,1036 3.04,1037 11.245,1038 19.98,1039 -1.128,1040 12.304,1041 15.644,1042 2.456,1043 24.499,1044 11.773,1045 2.677,1046 9.706,1047 21.835,1048 4.616,1049 13.392,1050 17.076,1051 2.049,1052 26.837,1053 12.828,1054 2.434,1055 8.553,1056 23.698,1057 4.078,1058 14.543,1059 18.606,1060 2.793,1061 29.247,1062 13.958,1063 2.037,1064 7.641,1065 25.567,1066 3.426,1067 15.662,1068 20.081,1069 2.494,1070 31.621,1071 15.051,1072 1.968,1073 5.912,1074 27.442,1075 3.065,1076 16.808,1077 21.6,1078 3.145,1079 34.026,1080 16.176,1081 1.879,1082 5.794,1083 29.321,1084 2.86,1085 17.943,1086 23.097,1087 2.938,1088 36.418,1089 17.289,1090 7075,1091 14696,1092 17.63,1093 28.869,1094 42.675,1095 45.569,1096 45.078,1097 42.216,1098 41.939,1099 56.065,1100 3.503,1101 127.022,1102 37.953,1103 5.492,1104 5.528,1105 6.36,1106 5.267,1107 5.22,1108 7.616,1109 2.335,1110 18.522,1111 5.135,1112 17.052,1113 1.524,1114 1.627,1115 1.61,1116 1.508,1117 1.498,1118 2.002,1119 0.125,1120 4.537,1121 1.355,1122 4.075,1123 4.114,1124 4.197,1125 3.966,1126 7.453,1127 3.981,1128 3.918,1129 3.934,1130 4.04,1131 3.864,1132 5.321,1133 3.858,1134 3.57,1135 3.626,1136 3.582,1137 3.383,1138 5.101,1139 3.407,1140 3.357,1141 3.406,1142 3.578,1143 3.115,1144 4.981,1145 3.145,1146 3.165,1147 3.26,1148 3.381,1149 2.93,1150 4.805,1151 2.943,1152 3.023,1153 3.153,1154 3.267,1155 2.849,1156 4.632,1157 2.815,1158 2.911,1159 2.976,1160 3.05,1161 2.707,1162 4.436,1163 2.725,1164 2.901,1165 2.918,1166 2.932,1167 2.676,1168 4.235,1169 2.671,1170 0.166,1171 0.126,1172 0.244,1173 0.15,1174 0.115,1175 4.656,1176 0.165,1177 3.528,1178 0.044,1179 6.838,1180 0.402,1181 4.192,1182 0.112,1183 3.22,1184 4.616,1185 1.23,1186 11.245,1187 3.135,1188 1.999,1189 1.969,1190 2.059,1191 2.133,1192 1.236,1193 2.112,1194 1.868,1195 1.857,1196 1.888,1197 1.953,1198 1.063,1199 1.95,1200 1.491,1201 1.437,1202 1.621,1203 1.702,1204 0.746,1205 1.691,1206 1.252,1207 1.192,1208 1.528,1209 1.522,1210 0.559,1211 1.516,1212 1.103,1213 1.026,1214 1.31,1215 1.396,1216 0.218,1217 1.383,1218 0.946,1219 0.827,1220 1.261,1221 1.336,1222 0.105,1223 1.34,1224 0.849,1225 0.827,1226 1.106,1227 1.145,1228 0.025,1229 1.138,1230 0.818,1231 0.747,1232 1,1233 0.962,1235 1.004,1236 4.043,1238 5.398,1240 6.954,1242 8.605,1244 10.306,1246 1.847,1247 18.063,1250 11.553,1252 0.219,1257 1.429,1262 27.96,1263 73.76,1264 158.256,1265 180.621,1266 187.376,1267 187.376,1268 187.376,1269 53.416,1270 7.194,1271 111.02,1272 111.02,1273 18,1274 12.586,1275 4.248,1276 3.392,1277 44.273,1278 93,1279 86,1280 0.239,1281 185.482,1282 312.24,1283 444.336,1284 11759,1285 7.7,1286 19.008,1287 0.731,1288 0.607,1289 20.508,1290 15.77,1291 12.312,1292 0.44,1293 0.303,1294 7.333,1295 11.038,1296 7.036,1297 5.806,1298 13.178,1299 8.485,1300 11.537,1301 0.281,1302 0.164,1303 12.612,1304 6.723,1305 9.88,1306 0.18,1307 0.093,1308 11.378,1309 5.1,1310 8.13,1311 0.115,1312 0.044,1313 8.945,1314 3.158,1315 6.111,1316 0.069,1317 0.023,1318 6.653,1319 1.987,1320 0.369,1321 86.527,1322 0.238,1323 24.713,1324 0.674,1325 138,1326 465.551,1327 196.682,1328 545.062,1329 706.87,1330 502,1331 165,1332 448.273,1333 221.521,1334 486.768,1335 713.5,1336 454,1337 6.602}
{0 CHEMBL334456,1 1.458,2 9.292,3 3.437,4 11.81,5 96.079,6 7.91,7 0.815,8 3.816,9 3.95,10 3.441,11 3.381,12 5.011,13 3.377,14 4.273,15 4.44,16 3.821,17 3.762,18 5.451,19 3.742,20 4.489,21 4.678,22 3.911,23 3.901,24 5.617,25 3.869,26 4.545,27 4.742,28 3.822,29 3.906,30 5.656,31 3.841,32 4.614,33 4.847,34 3.683,35 3.887,36 5.646,37 3.78,38 4.563,39 4.83,40 3.502,41 3.762,42 5.489,43 3.636,44 4.37,45 4.635,46 3.368,47 3.587,48 5.339,49 3.477,50 4.15,51 4.401,52 3.272,53 3.391,54 5.175,55 3.307,56 0.039,57 0.661,58 7.293,59 2.956,60 10.185,61 3.831,62 0.174,63 1.025,64 12.661,65 5.132,66 18.595,67 6.847,68 0.194,69 1.237,70 16.562,71 6.061,72 21.996,73 8.201,74 0.162,75 1.266,76 17.727,77 6.734,78 25.294,79 9.171,80 0.264,81 1.28,82 20.826,83 7.717,84 33.597,85 10.749,86 0.177,87 1.142,88 21.618,89 7.777,90 29.158,91 11.214,92 0.202,93 0.957,94 17.762,95 6.093,96 28.849,97 8.742,98 0.107,99 0.786,100 13.759,101 4.797,102 18.22,103 6.893,104 10,105 39,106 0.253,107 0.566,108 0.704,109 0.828,110 0.869,111 0.887,112 3.229,113 0.838,114 -5.25,115 -5.14,116 -4.81,119 45,124 1,139 9,140 2,141 1,143 2,144 2,147 1,157 2,158 2,159 2,166 10,169 2,170 5,172 3,173 3,178 11,181 2,182 6,184 1,185 1,189 9,193 6,195 1,196 1,197 1,198 2,200 2,201 7,204 2,205 1,206 2,207 5,209 2,210 2,212 2,215 7,218 2,221 3,229 6,234 5,236 1,237 1,239 2,241 4,243 2,246 6,251 3,254 1,256 3,260 6,265 5,270 5,273 722,274 16.292,275 16.292,276 16.292,277 16.292,278 16.292,279 13.718,280 16.003,281 9.454,282 16.622,283 13.321,284 13.321,285 13.321,286 13.321,287 13.321,288 9.469,289 23.321,290 4.468,291 13.888,292 3.864,293 2.064,294 1.27,295 0.557,296 0.319,297 0.219,298 3.928,300 1,301 1,302 1,303 493,304 2.646,307 217.85,311 185.822,314 1.375,315 15.643,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51,327 223,328 4.585,329 3.332,330 6.754,331 4.146,332 3.185,333 4.507,334 0.8,335 10.991,336 3.077,337 4.504,338 3.081,339 6.5,340 4.004,341 3.041,342 4.438,344 10.165,345 2.921,346 3.944,347 2.733,348 6.013,349 3.565,350 2.615,351 3.382,353 8.455,354 2.474,355 3.544,356 2.248,357 5.184,358 3.076,359 2.146,360 2.951,362 6.173,363 2.001,364 3.425,365 2.088,366 5.062,367 2.947,368 2.004,369 2.811,371 5.797,372 1.88,373 3.297,374 1.909,375 4.984,376 2.82,377 1.856,378 2.632,380 5.655,381 1.782,382 3.118,383 1.618,384 4.269,385 2.618,386 1.618,387 2.427,389 3.837,390 1.618,391 2.771,392 1.298,393 3.782,394 2.276,395 1.279,396 1.905,398 2.935,399 1.275,400 2.504,401 1.191,402 3.702,403 2.079,404 1.107,405 1.506,407 2.619,408 1.074,409 2.432,410 1.056,411 3.564,412 1.941,413 1,414 1.404,415 2.565,416 0.939,417 1.98,418 0.676,419 3.202,420 1.574,421 0.603,422 0.813,423 1.454,424 0.584,425 1.338,426 0.082,427 2.741,428 0.891,429 -0.034,430 -0.045,431 -0.086,432 -0.031,433 0.982,434 -0.298,435 2.57,436 0.517,437 -0.442,438 -0.576,439 -1.129,440 -0.408,441 0.943,442 -0.382,443 2.448,444 0.468,445 -0.474,446 -0.642,448 -1.17,449 -0.461,450 0.882,451 -0.618,452 2.303,453 0.382,454 -0.618,455 -0.927,457 -1.478,458 -0.618,459 11.4,460 0.475,461 0.627,462 0.026,463 37.75,464 1.573,465 21.5,466 0.896,467 16.25,468 0.677,469 14.667,470 0.611,471 24,472 0.6,473 26.619,474 1.109,475 7.485,476 0.312,477 4.146,478 0.173,479 0.114,481 0.386,485 1.119,486 1.205,487 0.765,488 0.882,489 1.305,490 0.793,491 0.644,492 0.924,493 0.704,494 0.862,495 0.458,496 0.805,497 1.042,498 1.039,499 0.905,500 0.928,501 0.775,502 0.903,503 1.019,504 1.185,505 1.105,506 1.189,507 0.774,508 1.165,509 0.892,510 0.921,511 1.162,512 1.129,513 1.029,514 1.174,515 0.858,516 0.955,517 0.989,518 1.023,519 0.793,520 1.025,521 0.996,522 0.798,523 0.997,524 0.877,525 1.052,526 0.926,527 0.956,528 1.07,529 0.894,530 0.975,531 0.881,532 0.935,533 4.5,534 0.087,535 3.111,536 2,537 1.733,538 0.708,539 0.424,540 0.335,541 0.222,542 0.128,543 6247,544 16265,545 2.135,546 40,548 12,551 4,555 1.671,556 2,557 3.192,558 1.777,560 1,562 1,564 58.309,565 1.458,566 3.258,567 4.052,568 4.765,569 5.003,570 5.103,571 2.657,572 4.252,573 4.561,574 3.303,575 911.612,576 7.876,577 10310.2,578 1,579 1,580 1,581 1,582 212.877,583 1.406,584 4.518,585 0.167,586 0.01,587 0.08,588 0.048,589 0.047,590 0.023,591 0.016,592 0.015,593 0.011,594 0.008,595 0.423,596 0.17,597 1,598 0.566,599 112.208,600 -0.171,601 -0.07,602 0.026,603 0.051,604 -0.341,605 0.064,606 0.323,607 0.166,608 0.148,609 0.085,610 0.27,611 0.09,612 0.006,613 0.033,614 -0.013,615 0.006,616 0.034,617 -0.004,618 -0.061,619 -0.155,620 -0.204,621 -0.235,622 0.048,623 -0.239,624 0.036,625 0.048,626 -0.198,627 -0.148,628 -0.103,629 -0.195,630 -0.027,631 -0.07,632 0.04,633 0.002,634 0.013,635 0.026,636 -0.06,637 0.121,638 0.032,639 0.124,640 -0.095,641 0.097,642 -0.025,643 -0.14,644 0.116,645 0.02,646 0.097,647 0.075,648 1.517,649 1.943,650 0.833,651 16.924,652 1.001,653 1.127,654 4.023,655 16.183,656 0.696,657 3.332,658 3.689,659 4.007,660 4.304,661 4.564,662 4.605,663 4.718,664 4.844,665 4.956,666 4.934,667 5.437,668 0.669,669 316.4,670 3.332,671 4.89,672 5.765,673 6.663,674 7.552,675 8.453,676 9.346,677 10.248,678 11.143,679 12.044,680 15,684 2,688 1,690 3,694 4,695 9,696 3,700 4,702 22,711 2,714 1,718 40,719 22,720 2,721 27,723 43,724 18,725 17,726 3,727 7,729 4,730 6,741 17,742 1,753 1,754 1,757 16,758 6,759 4,760 6,764 6,769 0.5,775 1,776 1,781 4,785 2,802 2,806 1,810 24,811 2,821 1,836 12,837 7.467,838 5.167,839 2.183,840 4.538,841 1.605,842 1.06,843 3.436,844 12.044,845 3.664,846 4.369,847 5.056,848 5.719,849 6.348,850 6.662,851 7.093,852 7.535,853 7.992,854 8.154,855 1,856 42,857 8.779,859 3.751,860 7.681,861 16.707,863 13.74,865 2.181,866 52.333,869 1,870 141.253,871 112.428,872 119.275,877 112.428,878 141.253,879 119.275,880 8.396,882 151.081,883 50.357,884 15.315,885 6.555,886 141.253,888 141.253,889 231.704,893 141.253,897 9.312,898 172.035,899 50.357,901 141.253,902 119.275,903 112.428,906 141.253,907 18.746,908 96.807,910 116.151,911 141.253,912 119.275,913 112.428,915 0.59,916 0.357,917 0.202,918 0.111,919 21,920 9,921 0.047,922 2,923 2,924 1.2,925 3.559,926 207.293,927 0.2,928 20,929 108.039,933 14.669,934 5.622,935 2.526,936 3.521,937 119.275,938 18.198,939 12.773,943 2.261,945 65.794,946 372.957,947 38,956 40.029,957 45.066,958 0.274,959 0.612,960 0.761,961 0.895,962 0.94,963 0.959,964 4.894,965 1.279,966 5.765,967 3.837,968 4.369,969 5.056,970 0.673,971 6.616,972 4.288,973 6.14,974 1.107,975 7.349,976 2.935,977 4.007,978 4.956,979 0.325,980 7.579,981 3.864,982 7.473,983 1,984 9.034,985 2.619,986 5.999,987 7.401,988 0.379,989 10.715,990 5.836,991 8.844,992 0.603,993 10.779,994 2.565,995 6.447,996 8.128,997 0.268,998 12.496,999 6.227,1000 10.246,1001 -0.034,1002 12.561,1003 1.454,1004 7.923,1005 10.04,1006 0.239,1007 15.15,1008 7.684,1009 11.672,1010 -0.442,1011 14.368,1012 -0.086,1013 8.748,1014 11.171,1015 0.188,1016 17.267,1017 8.46,1018 13.115,1019 -0.474,1020 16.194,1021 -1.129,1022 10.017,1023 12.852,1024 0.156,1025 19.748,1026 9.706,1027 3.185,1028 -0.618,1029 18.034,1030 -1.17,1031 11.016,1032 14.181,1033 0.125,1034 22.008,1035 10.661,1036 3.041,1037 10.991,1038 19.884,1039 -1.478,1040 12.202,1041 15.759,1042 0.102,1043 24.423,1044 11.82,1045 2.615,1046 10.165,1047 21.742,1048 4.507,1049 13.279,1050 17.18,1051 0.082,1052 26.746,1053 12.858,1054 2.146,1055 8.455,1056 23.607,1057 4.438,1058 14.434,1059 18.713,1060 0.066,1061 29.137,1062 13.982,1063 2.004,1064 6.173,1065 25.477,1066 3.382,1067 15.545,1068 20.177,1069 0.054,1070 31.489,1071 15.057,1072 1.856,1073 5.797,1074 27.351,1075 2.951,1076 16.689,1077 21.69,1078 0.043,1079 33.872,1080 16.169,1081 1.618,1082 5.655,1083 29.229,1084 2.811,1085 17.817,1086 23.173,1087 0.035,1088 36.238,1089 17.261,1090 5885,1091 9633,1092 18.205,1093 27.841,1094 41.246,1095 40.845,1096 42.475,1097 40.99,1098 40.911,1099 57.554,1100 1.6,1101 121.29,1102 39.253,1103 5.346,1104 5.332,1105 6.443,1106 5.219,1107 5.185,1108 7.507,1109 1.2,1110 18.389,1111 5.077,1112 10.385,1113 1.528,1114 1.513,1115 1.573,1116 1.518,1117 1.515,1118 2.132,1119 0.059,1120 4.492,1121 1.454,1122 4.114,1123 4.145,1124 4.078,1125 4.052,1126 5.324,1127 4.052,1128 4.008,1129 4.044,1130 3.979,1131 3.889,1132 4.99,1133 3.91,1134 3.557,1135 3.624,1136 3.489,1137 3.414,1138 4.911,1139 3.417,1140 3.421,1141 3.475,1142 3.327,1143 3.275,1144 4.766,1145 3.29,1146 3.228,1147 3.315,1148 3.091,1149 3.045,1150 4.358,1151 3.047,1152 3.113,1153 3.228,1154 3.002,1155 2.836,1156 4.229,1157 2.854,1158 2.957,1159 3.022,1160 2.798,1161 2.802,1162 3.959,1163 2.804,1164 2.709,1165 2.811,1166 2.544,1167 2.574,1168 3.891,1169 2.559,1170 0.17,1171 0.123,1172 0.25,1173 0.154,1174 0.118,1175 4.585,1176 0.167,1177 3.332,1178 0.03,1179 6.754,1180 0.407,1181 4.146,1182 0.114,1183 3.185,1184 4.507,1185 0.8,1186 10.991,1187 3.077,1188 2.078,1189 2.057,1190 2.156,1191 2.156,1192 1.297,1193 2.153,1194 1.948,1195 1.913,1196 2,1197 2.086,1198 1.06,1199 2.068,1200 1.518,1201 1.469,1202 1.698,1203 1.714,1204 0.753,1205 1.708,1206 1.394,1207 1.335,1208 1.601,1209 1.565,1210 0.639,1211 1.58,1212 1.207,1213 1.128,1214 1.467,1215 1.454,1216 0.393,1217 1.476,1218 1.001,1219 0.923,1220 1.273,1221 1.383,1222 0.325,1223 1.364,1224 0.985,1225 0.897,1226 1.235,1227 1.141,1228 0.062,1229 1.177,1230 0.691,1231 0.638,1232 0.951,1233 0.964,1235 0.97,1236 4.007,1238 5.352,1240 6.911,1242 8.568,1244 10.273,1246 1.976,1250 11.579,1257 2.025,1262 26.762,1263 58.309,1264 130.309,1265 162.083,1266 190.612,1267 200.122,1268 204.122,1269 27.092,1270 7.506,1271 93.95,1272 93.95,1273 24,1274 12.566,1275 4.524,1276 3.585,1277 33.807,1278 79,1279 76,1280 0.214,1281 165.351,1282 266.52,1283 395.216,1284 18447,1286 16.681,1287 0.695,1288 0.547,1289 16.681,1290 13.14,1291 11.631,1292 0.431,1293 0.279,1294 7.451,1295 11.271,1296 7.26,1297 6.049,1298 11.631,1299 7.545,1300 10.713,1301 0.275,1302 0.143,1303 10.713,1304 5.562,1305 9.348,1306 0.173,1307 0.075,1308 9.348,1309 4.043,1310 8.182,1311 0.112,1312 0.039,1313 8.182,1314 2.856,1315 6.758,1316 0.071,1317 0.02,1318 6.758,1319 1.943,1320 0.328,1321 72.21,1322 0.234,1323 23.007,1324 0.612,1325 132,1326 345.205,1327 142.907,1328 349.442,1329 498.52,1330 328,1331 159,1332 392.31,1333 170.241,1334 401.632,1335 590.81,1336 379,1337 5.481}
{0 CHEMBL337603,1 1.664,2 9.958,3 2.495,4 6.227,5 92.555,6 7.771,7 0.654,8 3.863,9 3.992,10 3.457,11 3.295,12 5.081,13 3.321,14 4.335,15 4.516,16 3.807,17 3.63,18 5.515,19 3.65,20 4.446,21 4.606,22 3.927,23 3.783,24 5.661,25 3.795,26 4.57,27 4.748,28 3.842,29 3.854,30 5.729,31 3.81,32 4.708,33 4.945,34 3.674,35 3.846,36 5.73,37 3.745,38 4.605,39 4.87,40 3.519,41 3.688,42 5.541,43 3.583,44 4.437,45 4.693,46 3.429,47 3.522,48 5.453,49 3.445,50 4.306,51 4.56,52 3.302,53 3.384,54 5.325,55 3.311,56 0.096,57 0.66,58 8.305,59 3.058,60 11.876,61 4.139,62 0.384,63 0.957,64 15.851,65 5.034,66 29.162,67 6.754,68 0.404,69 1.128,70 16.371,71 5.254,72 26.66,73 7.256,74 0.343,75 1.199,76 18.888,77 6.707,78 30.07,79 9.316,80 0.554,81 1.202,82 24.94,83 8.053,84 46.643,85 11.541,86 0.426,87 1.035,88 23.536,89 7.076,90 36.045,91 10.803,92 0.433,93 0.878,94 19.847,95 5.616,96 36.552,97 8.434,98 0.301,99 0.776,100 17.118,101 4.784,102 28.72,103 7.341,104 30,105 37,106 0.291,107 0.625,108 0.753,109 0.826,110 0.834,111 0.843,112 3.229,113 0.829,114 -3.41,115 -3.39,116 -3.25,119 38.1,124 3,139 5,141 3,143 2,144 2,147 1,157 2,158 2,159 2,166 2,169 2,170 7,172 3,173 3,178 1,181 3,182 7,184 1,185 1,189 1,192 1,193 4,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,206 3,207 2,209 2,210 2,212 2,215 3,218 2,220 1,221 1,229 1,233 1,234 6,236 1,237 1,239 2,243 2,246 3,251 1,256 1,259 2,262 1,263 1,265 2,270 2,273 754,274 16.118,275 16.118,276 16.118,277 16.118,278 16.118,279 14.107,280 23.236,281 9.19,282 16.796,283 12.659,284 12.659,285 12.659,286 12.659,287 12.659,288 9.481,289 32.966,290 4.153,291 13.591,292 3.728,293 1.822,294 1.092,295 0.673,296 0.625,297 0.578,298 3.906,300 1,301 1,302 1,303 505,304 3,307 201.229,311 105.888,314 1.465,315 21.445,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 53,327 239,328 4.556,329 3.306,330 6.554,331 4.075,332 3.129,333 4.496,334 0.86,335 10.336,336 2.961,337 4.315,338 3.142,339 6.368,340 3.913,341 2.966,342 3.944,343 0.86,344 9.667,345 2.808,346 3.972,347 2.978,348 6.089,349 3.621,350 2.696,351 3.379,352 0.8,353 8.771,354 2.487,355 3.561,356 2.291,357 5.2,358 3.1,359 2.175,360 2.938,362 6.296,363 2.013,364 3.425,365 2.187,366 5.062,367 2.948,368 2.008,369 2.811,371 5.797,372 1.88,373 3.276,374 2.101,375 4.976,376 2.815,377 1.866,378 2.58,380 5.671,381 1.765,382 2.919,383 1.951,384 4.375,385 2.521,386 1.609,387 2.057,389 4.129,390 1.461,391 2.458,392 1.216,393 3.761,394 1.975,395 1.019,396 1.44,398 2.565,399 0.972,400 2.198,401 1.057,402 3.691,403 1.859,404 0.941,405 1.141,407 2.35,408 0.86,409 1.82,410 0.942,411 3.022,412 1.508,413 0.611,414 0.718,415 1.12,416 0.543,417 1.45,418 0.89,419 2.758,420 1.178,421 0.328,422 0.357,423 0.438,424 0.276,425 1.316,426 0.097,427 2.609,428 0.882,429 -0.038,430 -0.05,431 -0.095,432 -0.035,433 0.966,434 -0.032,435 2.513,436 0.474,437 -0.446,438 -0.574,439 -0.906,440 -0.408,441 0.755,442 -0.298,443 2.415,444 0.399,445 -0.512,446 -0.602,448 -1.158,449 -0.458,450 0.582,451 -0.564,452 2.233,453 0.133,454 -0.815,455 -1.041,457 -2.09,458 -0.765,459 11.067,460 0.461,461 0.644,462 0.027,463 35.25,464 1.469,465 18.5,466 0.771,467 16.75,468 0.698,469 15.864,470 0.661,471 26.133,472 0.622,473 26.315,474 1.096,475 7.247,476 0.302,477 4.281,478 0.178,479 0.208,481 0.398,485 1.049,486 1.493,487 0.78,488 1.163,489 1.23,490 0.942,491 1.211,492 0.877,493 0.713,494 0.706,495 0.729,496 0.64,497 1.039,498 1.162,499 0.914,500 0.981,501 0.83,502 0.919,503 0.957,504 1.315,505 1.132,506 1.339,507 0.857,508 1.285,509 0.952,510 0.917,511 1.147,512 1.102,513 1.083,514 1.168,515 0.833,516 0.981,517 0.96,518 1.017,519 0.757,520 1.014,521 1.054,522 0.852,523 0.999,524 0.886,525 0.954,526 0.923,527 1.053,528 1.053,529 0.999,530 1.017,531 1.048,532 0.991,533 5.5,534 0.099,535 3.333,536 2,537 1.791,538 0.938,539 0.567,540 0.292,541 0.242,542 0.209,543 5918,544 17756,545 2.015,546 42.9,548 14,551 4,555 1.669,556 1.846,557 3.292,558 1.86,559 1,560 1,562 1,564 69.909,565 1.664,566 3.571,567 4.3,568 4.719,569 4.767,570 4.815,571 2.736,572 4.252,573 4.557,574 3.4,575 938.33,576 7.865,577 10798.9,578 1,579 1,581 1,582 226.477,583 1.528,584 4.493,585 0.212,586 0.008,587 0.09,588 0.049,589 0.05,590 0.032,591 0.023,592 0.013,593 0.012,594 0.013,595 0.501,596 0.17,597 1,598 0.961,599 113.296,600 -0.148,601 -0.256,602 0.037,603 -0.107,604 -0.291,605 -0.004,606 -0.032,607 0.212,608 0.225,609 0.287,610 0.162,611 0.292,612 -0.008,613 0.025,614 -0.039,615 0.009,616 0.03,617 -0.011,618 -0.072,619 -0.201,620 -0.257,621 -0.308,622 -0.028,623 -0.323,624 -0.03,625 0.044,626 -0.181,627 -0.101,628 -0.154,629 -0.171,630 -0.005,631 -0.082,632 0.036,633 -0.022,634 0.034,635 0.012,636 -0.064,637 0.068,638 0.01,639 0.079,640 -0.01,641 0.065,642 -0.124,643 -0.124,645 -0.054,646 -0.082,647 -0.002,648 1.539,649 1.9,650 0.667,651 19.319,652 1.014,653 1.14,654 2.184,655 4.77,656 0.655,657 3.296,658 3.638,659 3.932,660 4.174,661 4.407,662 4.477,663 4.554,664 4.595,665 4.673,666 4.7,667 5.74,668 0.636,669 326.4,670 3.296,671 4.844,672 5.707,673 6.594,674 7.473,675 8.363,676 9.245,677 10.137,678 11.021,679 11.913,680 14.3,684 2,688 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,714 1,716 2,718 42,719 17,720 1,721 26,723 44,724 16,725 13,726 3,727 3,729 3,730 4,741 13,742 3,753 1,754 1,757 18,758 8,759 4,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 3,810 24,811 2,818 2,821 1,829 4.8,834 2,836 13,837 8.467,838 5.389,839 2.093,840 3.345,841 1.472,842 0.982,843 4.487,844 10.44,845 3.57,846 4.234,847 4.873,848 5.482,849 6.082,850 6.382,851 6.756,852 7.13,853 7.555,854 7.764,855 0.857,856 41,857 8.754,859 3.604,860 7.806,861 16.362,863 12.724,865 2.306,866 55.333,869 1,870 164.795,871 101.631,872 119.275,874 22,877 101.631,878 186.795,879 119.275,880 30.162,882 113.176,883 50.357,884 42.656,885 6.555,886 164.795,888 164.795,889 220.906,890 22,893 164.795,894 22,897 9.312,898 161.238,899 50.357,901 164.795,902 141.275,903 101.631,906 164.795,907 24.087,908 80.668,910 138.151,911 164.795,912 141.275,913 101.631,915 0.584,916 0.361,917 0.194,918 0.103,919 18,920 9,921 0.091,922 4,923 1,924 1.125,925 3.489,926 196.476,927 0.125,928 16,929 110.039,933 16.392,934 6.569,935 3.129,936 1.11,937 141.275,938 9.266,939 12.619,943 3.25,945 65.794,946 407.701,947 34.5,956 42.567,957 47.9,958 0.309,959 0.662,960 0.797,961 0.875,962 0.884,963 0.893,964 4.806,965 1.019,966 5.714,967 4.129,968 4.317,969 4.92,970 1.593,971 6.553,972 4.186,973 6.044,974 0.941,975 7.299,976 2.565,977 4.007,978 4.856,979 0.325,980 7.503,981 3.813,982 7.374,983 0.611,984 8.98,985 2.35,986 5.948,987 7.215,988 1.294,989 10.587,990 5.701,991 8.741,992 0.328,993 10.714,994 1.12,995 6.415,996 7.928,997 0.268,998 12.302,999 6.097,1000 10.135,1001 -0.038,1002 12.481,1003 0.438,1004 7.852,1005 9.791,1006 1.061,1007 14.912,1008 7.494,1009 11.55,1010 -0.446,1011 14.269,1012 -0.095,1013 8.67,1014 10.882,1015 0.188,1016 16.95,1017 8.242,1018 12.979,1019 -0.512,1020 16.073,1021 -0.906,1022 9.91,1023 12.534,1024 0.861,1025 19.382,1026 9.442,1027 3.129,1028 -0.815,1029 17.889,1030 -1.158,1031 10.89,1032 13.821,1033 0.125,1034 21.565,1035 10.356,1036 2.966,1037 10.336,1038 19.714,1039 -2.09,1040 12.052,1041 15.379,1042 0.69,1043 23.925,1044 11.474,1045 2.696,1046 9.667,1047 21.545,1048 4.496,1049 13.106,1050 16.766,1051 0.082,1052 26.175,1053 12.466,1054 2.175,1055 8.771,1056 23.383,1057 3.944,1058 14.238,1059 18.283,1060 0.544,1061 28.504,1062 13.551,1063 2.008,1064 6.296,1065 25.225,1066 3.379,1067 15.326,1068 19.722,1069 0.054,1070 30.786,1071 14.581,1072 1.866,1073 5.797,1074 27.07,1075 2.938,1076 16.448,1077 21.223,1078 0.424,1079 33.105,1080 15.654,1081 1.609,1082 5.671,1083 28.919,1084 2.811,1085 17.552,1086 22.688,1087 0.035,1088 35.404,1089 16.702,1090 5864,1091 10281,1092 16.819,1093 27.512,1094 38.709,1095 39.519,1096 41.272,1097 38.631,1098 38.692,1099 51.723,1100 5.04,1101 114.284,1102 36.048,1103 5.32,1104 5.306,1105 6.107,1106 5.148,1107 5.129,1108 7.496,1109 1.72,1110 17.25,1111 4.961,1112 13.799,1113 1.489,1114 1.52,1115 1.587,1116 1.486,1117 1.488,1118 1.989,1119 0.194,1120 4.396,1121 1.386,1122 4.061,1123 4.104,1124 4.038,1125 3.928,1126 5.324,1127 3.95,1128 3.905,1129 3.927,1130 3.865,1131 3.802,1132 4.99,1133 3.814,1134 3.513,1135 3.58,1136 3.452,1137 3.296,1138 4.938,1139 3.326,1140 3.284,1141 3.356,1142 3.156,1143 3.047,1144 4.777,1145 3.063,1146 3.247,1147 3.314,1148 3.051,1149 2.953,1150 4.496,1151 2.96,1152 3.139,1153 3.235,1154 3.006,1155 2.89,1156 4.37,1157 2.885,1158 3.111,1159 3.227,1160 2.909,1161 2.807,1162 4.173,1163 2.841,1164 2.779,1165 2.857,1166 2.582,1167 2.642,1168 3.915,1169 2.617,1170 0.175,1171 0.127,1172 0.252,1173 0.157,1174 0.12,1175 4.556,1176 0.173,1177 3.306,1178 0.033,1179 6.554,1180 0.398,1181 4.075,1182 0.114,1183 3.129,1184 4.496,1185 0.86,1186 10.336,1187 2.961,1188 1.972,1189 1.937,1190 2.03,1191 2.126,1192 1.122,1193 2.099,1194 1.859,1195 1.839,1196 1.941,1197 1.987,1198 1.021,1199 1.973,1200 1.424,1201 1.361,1202 1.64,1203 1.685,1204 0.683,1205 1.669,1206 1.23,1207 1.159,1208 1.576,1209 1.524,1210 0.574,1211 1.539,1212 1.191,1213 1.115,1214 1.539,1215 1.505,1216 0.562,1217 1.514,1218 1.133,1219 1.036,1220 1.466,1221 1.411,1222 0.391,1223 1.451,1224 1,1225 0.898,1226 1.273,1227 1.383,1228 0.167,1229 1.364,1230 0.81,1231 0.74,1232 1.102,1233 1,1234 0.021,1235 1.038,1236 3.97,1238 5.303,1240 6.847,1242 8.485,1244 10.17,1246 5.086,1250 11.506,1254 10.597,1257 1.9,1262 26.719,1263 69.909,1264 149.974,1265 180.603,1266 198.213,1267 200.213,1268 202.213,1269 32.295,1270 7.095,1271 112.41,1272 112.41,1273 18,1274 12.442,1275 4.17,1276 3.248,1277 39.29,1278 83,1279 80,1280 0.238,1281 167.407,1282 278.04,1283 400.233,1284 10378,1286 17.267,1287 0.719,1288 0.569,1289 17.267,1290 13.647,1291 11.528,1292 0.443,1293 0.276,1294 7.009,1295 10.861,1296 6.761,1297 5.687,1298 11.528,1299 7.187,1300 10.32,1301 0.279,1302 0.138,1303 10.32,1304 5.103,1305 9.015,1306 0.18,1307 0.073,1308 9.015,1309 3.67,1310 7.455,1311 0.116,1312 0.037,1313 7.455,1314 2.398,1315 5.858,1316 0.072,1317 0.019,1318 5.858,1319 1.547,1320 0.368,1321 73.825,1322 0.244,1323 23.189,1324 0.666,1325 126,1326 406.676,1327 142.664,1328 389.763,1329 540.46,1330 366,1331 150,1332 409.401,1333 167.164,1334 415.999,1335 606.33,1336 387,1337 9.398}
{0 CHEMBL337746,1 1.898,2 8.565,3 1.858,4 3.453,5 86.241,6 9.205,7 0.68,8 3.733,9 3.827,10 3.627,11 3.299,12 4.975,13 3.286,14 4.204,15 4.322,16 3.955,17 3.642,18 5.685,19 3.637,20 4.376,21 4.505,22 4.099,23 3.769,24 5.821,25 3.758,26 4.451,27 4.566,28 4.038,29 3.758,30 5.978,31 3.737,32 4.469,33 4.627,34 3.867,35 3.684,36 5.86,37 3.643,38 4.431,39 4.642,40 3.6,41 3.505,42 5.894,43 3.448,44 4.094,45 4.299,46 3.331,47 3.285,48 5.268,49 3.238,50 3.92,51 4.115,52 3.228,53 3.113,54 5.34,55 3.063,56 0.161,57 0.603,58 7.181,59 3.323,60 25.883,61 3.009,62 0.423,63 0.898,64 11.356,65 5.247,66 58.104,67 5.343,68 0.469,69 1.06,70 16.03,71 6.297,72 47.039,73 5.924,74 0.652,75 1.044,76 17.601,77 7.105,78 72.364,79 6.406,80 0.598,81 1.037,82 21.297,83 6.766,84 81.129,85 6.711,86 0.781,87 0.883,88 21.327,89 6.455,90 116.675,91 7.414,92 0.38,93 0.674,94 12.888,95 4.518,96 50.764,97 5.481,98 0.364,99 0.598,100 11.192,101 3.785,102 43.988,103 4.755,104 27,105 37,106 0.339,107 0.653,108 0.763,109 0.86,110 0.87,111 0.87,112 3.19,113 0.959,114 -2.76,115 -2.77,116 -2.69,119 38.9,124 1,139 6,141 2,143 2,144 2,147 1,157 2,158 2,159 2,166 4,169 2,170 3,172 3,173 3,178 2,181 4,182 8,184 1,185 1,189 1,192 2,193 9,195 1,196 1,197 1,198 2,200 2,201 1,204 2,205 1,206 1,207 6,209 1,210 1,212 2,215 3,218 2,220 4,221 2,223 2,224 2,229 3,234 2,239 1,241 1,243 1,245 2,246 4,248 3,249 3,251 2,256 2,260 2,265 2,270 2,273 658,274 15.143,275 15.143,276 15.143,277 15.143,278 15.143,279 12.867,280 13.806,281 8.63,282 15.824,283 12.246,284 12.246,285 12.246,286 12.246,287 12.246,288 8.718,289 14.35,290 3.963,291 13.32,292 3.271,293 1.515,294 0.896,295 0.354,296 0.299,297 0.299,298 3.862,300 1,301 1,302 1,303 417,304 3.24,307 184.87,311 95.402,314 1.323,315 38.598,317 1,318 1,319 1,320 1,321 0.4,323 0.83,324 1,325 0.75,326 51.5,327 197,328 5.002,329 5.359,330 7.725,331 4.417,332 3.553,333 4.911,334 2.95,335 13.918,336 3.052,337 4.508,338 3.29,339 6.499,340 3.99,341 3.041,342 4.437,343 0.86,344 10.141,345 2.872,346 3.947,347 3.034,348 6.017,349 3.47,350 2.537,351 3.518,353 8.181,354 2.349,355 3.567,356 2.485,357 5.075,358 3.06,359 2.143,360 2.997,362 6.02,363 1.963,364 3.424,365 2.209,366 5.05,367 2.942,368 2,369 2.811,371 5.795,372 1.878,373 3.1,374 2.06,375 4.894,376 2.565,377 1.632,378 2.346,380 4.91,381 1.512,382 2.917,383 1.631,384 4.028,385 2.459,386 1.489,387 2.086,389 3.293,390 1.436,391 2.635,392 1.158,393 3.708,394 2.073,395 1.081,396 1.661,398 2.728,399 1.071,400 2.446,401 1.054,402 3.611,403 1.942,404 1,405 1.421,407 2.565,408 0.939,409 1.651,410 0.94,411 3.023,412 1.343,413 0.472,414 0.539,415 0.719,416 0.407,417 1.396,418 0.54,419 2.755,420 0.91,421 -0.007,422 -0.009,423 -0.017,424 -0.006,425 1,426 0.056,427 2.645,428 0.473,429 -0.446,430 -0.577,431 -1.146,432 -0.408,433 0.97,434 -0.255,435 2.503,436 0.339,437 -0.578,438 -0.727,439 -1.173,440 -0.514,441 0.781,442 -0.32,443 2.442,444 0.132,445 -0.814,446 -1.064,448 -2.098,449 -0.76,450 0.592,451 -0.532,452 2.135,453 0.092,454 -0.86,455 -1.181,457 -2.125,458 -0.791,459 10.833,460 0.471,461 0.742,462 0.032,463 36,464 1.565,465 20.5,466 0.891,467 15.5,468 0.674,469 13.625,470 0.592,471 24.567,472 0.682,473 27.574,474 1.199,475 7.074,476 0.308,477 3.856,478 0.168,479 0.182,480 0.077,481 0.323,485 0.769,486 1.235,487 0.824,488 1.135,489 0.871,490 0.811,491 0.83,492 0.962,493 0.696,494 0.872,495 0.644,496 0.755,497 0.966,498 1.028,499 1.033,500 1.095,501 0.88,502 0.86,503 1.254,504 1.174,505 1.244,506 1.253,507 1.329,508 1.103,509 1.321,510 1.152,511 1.389,512 1.351,513 1.562,514 1.203,515 1.116,516 0.76,517 1.025,518 0.813,519 1.305,520 0.939,521 1.044,522 0.983,523 0.766,524 0.852,525 1.056,526 0.974,527 0.447,528 1.165,529 0.986,530 1.152,531 0.316,532 1.181,533 6,534 0.054,535 3.778,536 2.563,537 1.898,538 0.944,539 0.446,540 0.417,541 0.164,542 0.124,543 4913,544 17123,545 2.006,546 36.1,548 9,551 4,555 1.662,556 1.828,557 3.078,558 1.951,559 1,560 1,562 1,564 68.344,565 1.898,566 3.655,567 4.274,568 4.816,569 4.871,570 4.871,571 2.546,572 4.263,573 4.497,574 3.197,575 808.933,576 7.765,577 8805.28,578 1,579 1,581 1,582 186.117,583 1.72,584 4.418,585 0.24,586 0.011,587 0.102,588 0.063,589 0.05,590 0.03,591 0.018,592 0.021,593 0.009,594 0.011,595 0.555,596 0.33,597 1,598 0.872,599 105.175,600 -0.075,601 -0.037,602 0.165,603 0.009,604 -0.265,605 0.085,606 0.117,607 0.107,608 0.191,609 0.137,610 0.192,611 0.148,612 -0.012,613 0.097,614 0.024,616 0.038,617 0.035,618 -0.053,619 -0.148,620 -0.179,621 -0.152,622 -0.016,623 -0.196,624 -0.228,625 -0.153,626 -0.281,627 -0.267,628 -0.258,629 -0.249,630 0.043,631 0.113,632 -0.038,633 0.108,634 0.034,635 0.064,636 -0.13,637 -0.111,638 0.057,639 0.014,640 -0.161,641 0.047,642 0.368,643 -0.184,644 -0.087,645 -0.243,646 0.329,647 -0.207,648 4.795,649 5.787,650 0.696,651 16.253,652 1.031,653 1.131,654 1.529,655 2.338,656 0.697,657 3.258,658 3.638,659 3.932,660 4.19,661 4.407,662 4.443,663 4.511,664 4.615,665 4.644,666 4.595,667 5.104,668 0.682,669 331.39,670 3.258,671 4.828,672 5.7,673 6.611,674 7.503,675 8.416,676 9.314,677 10.229,678 11.131,679 12.046,680 13.9,684 2,690 3,694 2,695 6,696 3,700 5,702 17,711 2,716 1,718 36,719 19,720 1,721 25,723 38,724 14,725 13,726 2,727 4,729 3,730 4,741 13,742 1,744 2,747 1,748 2,753 1,754 1,757 13,758 8,759 4,760 9,761 1,764 5,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,804 1,806 1,810 23,811 2,813 1,818 1,829 8.3,832 2,834 1,836 12.583,837 6.683,838 5,839 1.779,840 3.379,841 1.485,842 1.017,843 3.798,844 10.348,845 3.597,846 4.317,847 4.951,848 5.56,849 6.15,850 6.487,851 6.89,852 7.284,853 7.628,854 7.814,855 0.833,856 41,857 8.742,859 4.108,860 8.156,861 15.439,863 12.648,865 2.656,866 61.083,870 105.94,871 90.218,872 116.151,874 55.313,876 6.046,877 84.172,878 161.253,879 116.151,880 10.883,882 128.698,883 94.67,884 22.082,885 5.349,886 105.94,888 105.94,889 200.323,890 55.313,891 6.046,893 105.94,894 55.313,897 6.187,898 143.779,899 56.403,901 105.94,902 171.464,903 90.218,905 6.046,906 105.94,907 16.431,908 67.741,910 171.464,911 105.94,912 171.464,913 90.218,915 0.595,916 0.363,917 0.197,918 0.105,919 19,920 9,921 0.079,922 3,923 1,924 1.125,925 3.316,926 191.352,927 0.125,928 16,929 100.042,932 1,933 15.466,934 5.648,935 2.67,936 0.546,937 171.464,938 9.124,939 11.855,943 0.094,945 65.794,946 367.622,947 35.5,950 -3.879,951 25.573,956 37.102,957 40.701,958 0.367,959 0.707,960 0.827,961 0.931,962 0.942,963 0.942,964 4.846,965 1.081,966 5.753,967 3.293,968 4.317,969 5.004,970 2.99,971 6.673,972 4.15,973 6.134,974 1,975 7.396,976 2.728,977 4.205,978 5.198,980 8.021,981 3.873,982 7.52,983 0.472,984 9.159,985 2.565,986 6.066,987 7.446,988 5.034,989 11.125,990 5.684,991 8.953,992 -0.007,993 10.997,994 0.719,995 6.758,996 8.438,998 13.307,999 6.175,1000 10.422,1001 -0.446,1002 12.884,1003 -0.017,1004 8.185,1005 10.238,1006 7.185,1007 16.051,1008 7.539,1009 11.918,1010 -0.578,1011 14.807,1012 -1.146,1013 9.211,1014 11.565,1016 18.524,1017 8.367,1018 13.436,1019 -0.814,1020 16.756,1021 -1.173,1022 10.502,1023 13.213,1024 9.348,1025 21.179,1026 9.564,1027 3.553,1028 -0.86,1029 18.725,1030 -2.098,1031 11.663,1032 14.681,1034 23.752,1035 10.541,1036 3.041,1037 13.918,1038 20.709,1039 -2.125,1040 12.917,1041 16.275,1042 11.511,1043 26.385,1044 11.674,1045 2.537,1046 10.141,1047 22.704,1048 4.911,1049 14.132,1050 17.803,1052 28.995,1053 12.717,1054 2.143,1055 8.181,1056 24.71,1057 4.437,1058 15.379,1059 19.381,1060 13.675,1061 31.625,1062 13.826,1063 2,1064 6.02,1065 26.723,1066 3.518,1067 16.617,1068 20.934,1070 34.248,1071 14.899,1072 1.632,1073 5.795,1074 28.741,1075 2.997,1076 17.867,1077 22.508,1078 15.838,1079 36.878,1080 16,1081 1.489,1082 4.91,1083 30.765,1084 2.811,1085 19.116,1086 24.074,1088 39.507,1089 17.087,1090 4880,1091 9263,1092 16.008,1093 25.085,1094 37.992,1095 40.11,1096 40.061,1097 37.96,1098 37.898,1099 53.452,1100 7.62,1101 116.544,1102 34.958,1103 5.773,1104 7.359,1105 7.415,1106 5.556,1107 5.553,1108 7.911,1109 5.9,1110 22.222,1111 5.052,1112 12.856,1113 1.52,1114 1.604,1115 1.602,1116 1.518,1117 1.516,1118 2.138,1119 0.305,1120 4.662,1121 1.398,1122 4.154,1123 4.148,1124 4.755,1125 4.141,1126 7.715,1127 4.063,1128 3.936,1129 3.954,1130 3.963,1131 3.829,1132 6.999,1133 3.838,1134 3.636,1135 3.636,1136 3.707,1137 3.551,1138 5.32,1139 3.499,1140 3.296,1141 3.329,1142 3.278,1143 3.121,1144 4.987,1145 3.12,1146 3.249,1147 3.315,1148 3.063,1149 2.967,1150 4.836,1151 2.976,1152 3.113,1153 3.228,1154 3.005,1155 2.808,1156 4.739,1157 2.847,1158 2.787,1159 2.86,1160 2.61,1161 2.654,1162 4.38,1163 2.631,1164 2.66,1165 2.762,1166 2.531,1167 2.489,1168 4.167,1169 2.486,1170 0.2,1171 0.214,1172 0.309,1173 0.177,1174 0.142,1175 5.002,1176 0.196,1177 5.359,1178 0.118,1179 7.725,1180 0.557,1181 4.417,1182 0.122,1183 3.553,1184 4.911,1185 2.95,1186 13.918,1187 3.052,1188 2.03,1189 2.04,1190 2.01,1191 2.133,1192 1.225,1193 2.134,1194 1.88,1195 1.855,1196 1.956,1197 1.987,1198 1.021,1199 1.992,1200 1.499,1201 1.509,1202 1.573,1203 1.666,1204 0.625,1205 1.678,1206 1.2,1207 1.16,1208 1.502,1209 1.512,1210 0.573,1211 1.532,1212 1.186,1213 1.123,1214 1.273,1215 1.383,1216 0.311,1217 1.408,1218 0.998,1219 0.896,1220 1.15,1221 1.382,1222 0.161,1223 1.364,1224 0.814,1225 0.747,1226 1.049,1227 1,1229 1.041,1230 0.625,1231 0.56,1232 0.924,1233 0.93,1235 0.941,1236 3.932,1238 5.293,1240 6.87,1242 8.544,1244 10.266,1246 1.4,1250 11.264,1254 5.107,1262 24.546,1263 68.344,1264 131.588,1265 153.853,1266 173.362,1267 175.362,1268 175.362,1269 46.694,1270 6.969,1271 134.08,1272 142.46,1273 18,1274 12.56,1275 4.322,1276 3.524,1277 36.671,1278 70,1279 70,1280 0.265,1281 156.555,1282 259.74,1283 373.754,1284 8676,1286 16.613,1287 0.722,1288 0.561,1289 16.863,1290 12.91,1291 10.93,1292 0.437,1293 0.32,1294 6.508,1295 9.644,1296 6.236,1297 5.188,1298 11.719,1299 7.994,1300 10.368,1301 0.28,1302 0.176,1303 11.669,1304 6.504,1305 8.7,1306 0.174,1307 0.098,1308 10.025,1309 4.889,1310 7.335,1311 0.113,1312 0.054,1313 8.575,1314 3.498,1315 5.759,1316 0.071,1317 0.03,1318 6.911,1319 2.417,1320 0.4,1321 77.384,1322 0.25,1323 21.992,1324 0.776,1325 124,1326 435.627,1327 179.513,1328 439.996,1329 596.25,1330 404,1331 149,1332 415.44,1333 212.577,1334 456.543,1335 670.55,1336 426,1337 5.854}
{0 CHEMBL33921,1 1.577,2 11.52,3 3.04,4 9.244,5 98.295,6 7.03,7 0.462,8 3.966,9 4.098,10 3.448,11 3.432,12 5.13,13 3.414,14 4.471,15 4.657,16 3.752,17 3.796,18 5.649,19 3.737,20 4.705,21 4.921,22 3.771,23 3.938,24 5.713,25 3.851,26 4.803,27 5.045,28 3.688,29 3.958,30 5.786,31 3.837,32 4.794,33 5.05,34 3.652,35 3.938,36 5.709,37 3.804,38 4.776,39 5.036,40 3.684,41 3.864,42 5.751,43 3.752,44 4.658,45 4.889,46 3.596,47 3.794,48 5.666,49 3.689,50 4.674,51 4.95,52 3.448,53 3.699,54 5.683,55 3.573,56 0.075,57 0.701,58 10.925,59 4.249,60 15.944,61 5.897,62 0.334,63 1.045,64 19.314,65 7.438,66 51.452,67 10.241,68 0.275,69 1.237,70 24.982,71 8.669,72 47.356,73 12.646,74 0.413,75 1.287,76 28.312,77 9.529,78 61.966,79 13.935,80 0.286,81 1.257,82 27.957,83 9.642,84 52.427,85 14.404,86 0.501,87 1.183,88 28.233,89 8.855,90 62.212,91 13.384,92 0.294,93 1.114,94 24.364,95 7.833,96 45.627,97 11.74,98 0.4,99 1.066,100 25.585,101 7.029,102 56.217,103 11.342,104 35,105 34,106 0.27,107 0.631,108 0.805,109 0.876,110 0.89,111 0.89,112 3.266,113 0.95,114 -3.94,115 -3.9,116 -3.69,119 36.7,121 6,124 1,139 3,140 3,141 1,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 11,167 1,169 1,170 5,172 3,173 4,175 2,178 12,179 1,180 1,182 6,187 2,189 12,190 1,191 1,193 5,195 1,196 1,197 1,198 3,200 2,201 10,202 1,204 2,205 1,207 4,212 3,215 8,216 1,218 2,220 2,221 6,223 1,224 1,226 4,229 6,230 1,231 3,234 6,239 4,241 4,242 2,243 3,246 5,248 1,249 1,251 5,254 2,255 2,256 3,260 5,265 5,268 1,269 1,270 3,273 1071,274 16.577,275 16.577,276 16.577,277 16.577,278 16.577,279 14.817,280 21.377,281 10.042,282 16.934,283 12.776,284 12.776,285 12.776,286 12.776,287 12.776,288 10.102,289 24.119,290 4.735,291 13.258,292 4.038,293 1.936,294 0.919,295 0.505,296 0.424,297 0.424,298 3.93,300 1,301 1,302 1,303 584,304 3.606,307 179.585,314 1.859,315 27.357,317 1,318 1,319 1,320 0.83,321 1,322 1,323 1,324 1,325 0.98,326 55,327 288,328 4.331,329 3.596,330 6.251,331 3.956,332 2.98,333 3.975,334 2.341,335 9.444,336 2.911,337 4.161,338 3.255,339 5.984,340 3.722,341 2.765,342 3.813,343 0.86,344 8.479,345 2.65,346 3.574,347 2.933,348 5.253,349 3.276,350 2.291,351 2.884,352 0.68,353 6.647,354 2.25,355 3.546,356 2.582,357 4.963,358 3.221,359 2.222,360 2.746,362 5.821,363 2.197,364 3.44,365 2.324,366 4.659,367 3.025,368 2.1,369 2.709,371 5.182,372 1.934,373 2.928,374 1.938,375 4.42,376 2.556,377 1.598,378 2.074,380 4.275,381 1.548,382 2.773,383 1.685,384 4.075,385 2.543,386 1.554,387 1.889,389 3.501,390 1.509,391 2.641,392 1.492,393 3.646,394 2.293,395 1.345,396 1.636,398 3.197,399 1.271,400 1.996,401 1.169,402 3.141,403 1.828,404 0.85,405 0.935,407 1.748,408 0.824,409 1.775,410 0.986,411 3.026,412 1.534,413 0.602,414 0.68,415 1.2,416 0.555,417 1.54,418 0.615,419 2.731,420 1.249,421 0.322,422 0.379,423 0.67,424 0.297,425 1.09,426 0.54,427 2.399,428 0.91,429 -0.07,430 -0.076,431 -0.138,432 -0.067,433 0.936,434 0.219,435 2.359,436 0.619,437 -0.331,438 -0.393,439 -0.716,440 -0.313,441 0.795,442 -0.018,443 2.232,444 0.393,445 -0.515,446 -0.621,448 -1.242,449 -0.466,450 0.663,451 -0.314,452 2.112,453 0.344,454 -0.641,455 -0.748,457 -1.582,458 -0.621,459 11.6,460 0.464,461 0.596,462 0.024,463 30.5,464 1.22,465 15,466 0.6,467 15.5,468 0.62,469 20.725,470 0.829,471 28.6,472 0.584,473 22.161,474 0.886,475 5.965,476 0.239,477 6.026,478 0.241,479 0.17,481 0.302,485 0.939,486 1.293,487 0.9,488 1.134,489 0.893,490 1.018,491 0.628,492 0.989,493 0.85,494 1.081,495 0.399,496 1.028,497 0.917,498 1.165,499 1.011,500 1.131,501 0.879,502 1.097,503 0.913,504 0.969,505 1.083,506 1.073,507 0.8,508 1.108,509 0.693,510 1.087,511 0.947,512 1.126,513 0.724,514 1.092,515 0.808,516 0.912,517 0.867,518 0.906,519 0.734,520 0.906,521 1.008,522 1.281,523 1.067,524 1.196,525 0.85,526 1.16,527 0.907,528 0.947,529 1.065,530 0.982,531 0.749,532 1.019,533 5.5,534 0.111,535 2.444,536 1.25,537 1.307,538 0.667,539 0.467,540 0.398,541 0.246,542 0.157,543 6938,544 21579,545 1.95,546 49,547 10,548 6,550 1,551 5,552 2,555 1.679,556 1.807,557 3.469,558 2.607,559 1,560 1,564 77.268,565 1.577,566 3.679,567 4.696,568 5.11,569 5.191,570 5.191,571 2.953,572 4.404,573 4.607,574 3.662,575 1098.51,576 7.968,577 13927.9,579 1,581 1,582 275.121,583 1.469,584 4.56,585 0.212,586 0.008,587 0.072,588 0.037,589 0.044,590 0.023,591 0.016,592 0.015,593 0.011,594 0.009,595 0.445,596 0.17,597 1,598 1.87,599 122.883,600 -0.124,601 0.009,602 -0.004,603 0.042,604 -0.121,605 0.047,606 0.202,607 0.151,608 0.072,609 0.033,610 0.263,611 0.02,612 -0.101,613 -0.097,614 -0.079,615 -0.061,616 -0.09,617 -0.066,618 -0.084,619 0.044,620 -0.137,621 -0.046,622 -0.069,623 -0.097,624 -0.014,625 -0.108,626 -0.019,627 -0.086,628 -0.045,629 -0.057,630 0.083,631 0.032,632 0.104,633 0.085,634 0.009,635 0.092,636 -0.109,637 -0.274,638 -0.113,639 -0.169,640 -0.077,641 -0.152,642 -0.067,643 0.039,644 -0.09,645 -0.057,646 -0.019,647 -0.064,648 2.407,649 3.528,650 0.48,651 26.701,652 1.005,653 1.138,654 2.712,655 7.354,656 0.633,657 3.296,658 3.555,659 3.714,660 3.892,661 4.094,662 4.111,663 4.111,664 4.174,665 4.22,666 4.159,667 6.774,668 0.602,669 344.46,670 3.296,671 4.796,672 5.595,673 6.435,674 7.258,675 8.105,676 8.94,677 9.793,678 10.636,679 11.491,680 8.2,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 1,718 49,719 13,720 1,721 26,723 50,724 18,725 10,726 3,727 3,729 2,730 2,739 6,741 11,742 7,744 1,748 1,751 1,753 1,754 1,757 24,758 7,759 5,760 7,764 4,769 1,770 3,776 1,781 2,792 1,800 1,802 2,806 1,810 25,811 2,815 1,816 6,818 1,829 6.1,831 1,832 1,834 1,836 13.833,837 8.683,838 5.722,839 2.836,840 2.333,841 1.349,842 0.925,843 7.166,844 9.007,845 3.526,846 4.06,847 4.505,848 4.992,849 5.513,850 5.611,851 5.78,852 6.124,853 6.456,854 6.658,855 0.875,856 34,857 9.185,859 3.725,860 7.947,861 17.332,863 13.561,865 2.447,866 61.167,869 1,870 223.651,871 83.503,872 99.365,874 78.828,877 83.503,878 302.479,879 99.365,880 10.883,881 15.207,882 94.223,883 114.08,884 34.847,885 4.227,886 211.88,888 223.651,889 182.869,890 78.828,893 223.651,894 78.828,897 26.154,898 123.144,899 33.571,901 223.651,902 178.194,903 83.503,906 223.651,907 35.144,908 48.359,910 178.194,911 223.651,912 178.194,913 83.503,915 0.565,916 0.308,917 0.156,918 0.086,919 13,920 7,921 0.18,922 9,924 1,925 3.716,926 185.476,928 12,929 116.096,933 19.16,934 9.35,935 5.999,937 178.194,938 7.695,939 7.984,943 4.292,945 108.478,946 485.348,947 33,951 10.528,954 -0.741,956 49.225,957 55.773,958 0.281,959 0.655,960 0.836,961 0.91,962 0.925,963 0.925,964 4.727,965 1.345,966 5.557,967 3.501,968 4.234,969 4.745,970 2.482,971 6.282,972 4.167,973 5.909,974 0.85,975 7.067,976 3.197,977 3.761,978 4.543,979 2.243,980 7.034,981 3.658,982 7.193,983 0.602,984 8.674,985 1.748,986 5.746,987 6.862,988 3.668,989 10.064,990 5.623,991 8.51,992 0.322,993 10.338,994 1.2,995 6.043,996 7.416,997 4.112,998 11.622,999 5.879,1000 9.855,1001 -0.07,1002 12.037,1003 0.67,1004 7.514,1005 9.259,1006 5.207,1007 14.171,1008 7.337,1009 11.22,1010 -0.331,1011 13.762,1012 -0.138,1013 8.188,1014 10.174,1015 5.889,1016 16.083,1017 7.971,1018 12.6,1019 -0.515,1020 15.506,1021 -0.716,1022 9.436,1023 11.804,1024 6.849,1025 18.446,1026 9.205,1027 2.98,1028 -0.641,1029 17.264,1030 -1.242,1031 10.306,1032 12.914,1033 7.625,1034 20.524,1035 10.038,1036 2.765,1037 9.444,1038 19.033,1039 -1.582,1040 11.453,1041 14.431,1042 8.526,1043 22.809,1044 11.167,1045 2.291,1046 8.479,1047 20.812,1048 3.975,1049 12.424,1050 15.649,1051 9.342,1052 24.965,1053 12.105,1054 2.222,1055 6.647,1056 22.598,1057 3.813,1058 13.526,1059 17.104,1060 10.216,1061 27.217,1062 13.188,1063 2.1,1064 5.821,1065 24.39,1066 2.884,1067 14.549,1068 18.385,1069 11.051,1070 29.41,1071 14.181,1072 1.598,1073 5.182,1074 26.187,1075 2.746,1076 15.633,1077 19.803,1078 11.912,1079 31.649,1080 15.245,1081 1.554,1082 4.275,1083 27.988,1084 2.709,1085 16.682,1086 21.12,1087 12.755,1088 33.863,1089 16.267,1090 7116,1091 12639,1092 16.701,1093 31,1094 37.488,1095 38.384,1096 38.757,1097 37.253,1098 37.257,1099 47.44,1100 7.762,1101 100.33,1102 35.893,1103 5.24,1104 5.596,1105 6.024,1106 5.025,1107 4.98,1108 6.975,1109 3.925,1110 15.9,1111 4.911,1112 14.871,1113 1.442,1114 1.476,1115 1.491,1116 1.433,1117 1.433,1118 1.825,1119 0.299,1120 3.859,1121 1.38,1122 4.003,1123 4.034,1124 3.948,1125 3.927,1126 7.474,1127 3.927,1128 3.824,1129 3.877,1130 3.776,1131 3.672,1132 6.351,1133 3.69,1134 3.719,1135 3.765,1136 3.597,1137 3.575,1138 5.291,1139 3.57,1140 3.455,1141 3.493,1142 3.335,1143 3.26,1144 4.979,1145 3.268,1146 3.237,1147 3.306,1148 3.084,1149 3.004,1150 4.841,1151 3.015,1152 3.205,1153 3.282,1154 3.063,1155 2.958,1156 4.448,1157 2.97,1158 3.02,1159 3.132,1160 2.849,1161 2.764,1162 4.378,1163 2.76,1164 2.979,1165 3.055,1166 2.782,1167 2.692,1168 4.056,1169 2.714,1170 0.167,1171 0.138,1172 0.24,1173 0.152,1174 0.115,1175 4.331,1176 0.153,1177 3.596,1178 0.09,1179 6.251,1180 0.363,1181 3.956,1182 0.112,1183 2.98,1184 3.975,1185 2.341,1186 9.444,1187 2.911,1188 1.965,1189 1.941,1190 2.084,1191 2.063,1192 1.375,1193 2.067,1194 1.772,1195 1.723,1196 1.958,1197 1.952,1198 1.216,1199 1.948,1200 1.692,1201 1.644,1202 1.83,1203 1.87,1204 1.005,1205 1.87,1206 1.404,1207 1.359,1208 1.653,1209 1.64,1210 0.809,1211 1.64,1212 1.182,1213 1.111,1214 1.554,1215 1.495,1216 0.578,1217 1.513,1218 1.157,1219 1.085,1220 1.401,1221 1.424,1222 0.478,1223 1.422,1224 0.959,1225 0.896,1226 1.267,1227 1.305,1228 0.378,1229 1.302,1230 0.908,1231 0.797,1232 1.233,1233 1.236,1234 0.126,1235 1.243,1236 3.97,1238 5.242,1240 6.696,1242 8.242,1244 9.84,1246 1.632,1250 11.452,1251 8.661,1252 4.229,1254 5.434,1262 29.498,1263 77.268,1264 180.253,1265 230.101,1266 250.366,1267 254.366,1268 254.366,1269 55.709,1270 6.675,1271 124.35,1272 124.35,1273 12,1274 12.048,1275 3.807,1276 3,1277 51.764,1278 97,1279 113,1280 0.253,1281 187.32,1282 325.33,1283 448.821,1284 6458,1286 18.234,1287 0.729,1288 0.575,1289 18.234,1290 14.365,1291 11.99,1292 0.461,1293 0.317,1294 8.116,1295 11.482,1296 7.911,1297 6.618,1298 11.99,1299 8.237,1300 10.531,1301 0.31,1302 0.174,1303 10.531,1304 5.916,1305 7.881,1306 0.197,1307 0.1,1308 7.881,1309 3.998,1310 6.142,1311 0.128,1312 0.056,1313 6.142,1314 2.683,1315 4.754,1316 0.081,1317 0.03,1318 4.754,1319 1.794,1320 0.402,1321 75.652,1322 0.245,1323 24.737,1324 0.675,1325 120,1326 379.535,1327 133.357,1328 365.303,1329 482.22,1330 338,1331 134,1332 340.184,1333 144.977,1334 346.034,1335 492.61,1336 322,1337 5.387}
{0 CHEMBL33922,1 1.594,2 12.308,3 3.175,4 10.078,5 102.257,6 7.384,7 0.444,8 3.949,9 4.074,10 3.474,11 3.439,12 5.167,13 3.43,14 4.428,15 4.605,16 3.767,17 3.781,18 5.668,19 3.734,20 4.628,21 4.829,22 3.781,23 3.901,24 5.724,25 3.832,26 4.685,27 4.904,28 3.694,29 3.895,30 5.772,31 3.8,32 4.658,33 4.889,34 3.658,35 3.867,36 5.699,37 3.763,38 4.631,39 4.869,40 3.689,41 3.798,42 5.766,43 3.713,44 4.497,45 4.719,46 3.59,47 3.727,48 5.613,49 3.638,50 4.491,51 4.74,52 3.399,53 3.634,54 5.539,55 3.52,56 0.085,57 0.687,58 9.929,59 4.085,60 18.625,61 5.366,62 0.34,63 1.017,64 17.68,65 7.061,66 54.378,67 9.399,68 0.282,69 1.186,70 22.289,71 8.066,72 52.564,73 11.187,74 0.402,75 1.209,76 24.375,77 8.509,78 65.037,79 11.815,80 0.27,81 1.169,82 23.651,83 8.558,84 55.01,85 12.188,86 0.44,87 1.107,88 23.738,89 7.904,90 65.331,91 11.437,92 0.177,93 1.039,94 19.617,95 7.047,96 38.347,97 10.246,98 0.318,99 0.98,100 20.445,101 6.506,102 48.274,103 9.722,104 36,105 35,106 0.272,107 0.68,108 0.841,109 0.887,110 0.887,111 0.887,112 3.303,113 0.915,114 -4.1,115 -4.04,116 -3.83,119 39.6,121 5,124 1,138 2,139 3,140 3,141 1,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 12,167 1,169 1,170 5,172 3,173 4,175 2,178 13,179 1,180 1,182 6,187 2,189 13,190 1,191 1,193 5,195 1,196 1,197 1,198 3,200 2,201 11,202 1,204 2,205 1,207 4,212 3,215 9,216 1,218 2,220 2,221 6,223 1,224 1,226 4,229 7,230 1,231 3,234 6,239 4,241 6,242 1,243 3,246 4,248 1,249 1,251 4,254 4,255 2,256 3,260 5,265 5,268 2,269 2,270 3,273 1200,274 17.284,275 17.284,276 17.284,277 17.284,278 17.284,279 15.225,280 21.043,281 10.542,282 17.641,283 13.276,284 13.276,285 13.276,286 13.276,287 13.276,288 10.152,289 23.178,290 4.985,291 13.758,292 3.991,293 1.601,294 0.656,295 0.391,296 0.391,297 0.391,298 3.969,300 1,301 1,302 1,303 649,304 3.742,307 189.461,314 2,315 29.094,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 57,327 320,328 4.351,329 3.596,330 6.251,331 3.956,332 2.98,333 3.997,334 2.341,335 9.444,336 2.911,337 4.189,338 3.272,339 5.984,340 3.722,341 2.765,342 3.832,343 0.86,344 8.479,345 2.65,346 3.914,347 2.971,348 5.253,349 3.269,350 2.286,351 3.137,352 0.68,353 6.647,354 2.242,355 3.55,356 2.793,357 4.963,358 3.232,359 2.23,360 2.762,362 5.821,363 2.209,364 3.453,365 2.327,366 4.659,367 3.025,368 2.101,369 2.71,371 5.184,372 1.935,373 3.208,374 2.32,375 4.42,376 2.672,377 1.673,378 2.096,380 4.275,381 1.666,382 2.928,383 1.935,384 4.075,385 2.544,386 1.595,387 2.072,389 3.51,390 1.509,391 2.773,392 1.503,393 3.738,394 2.294,395 1.345,396 1.889,398 3.409,399 1.271,400 2.522,401 1.449,402 3.231,403 2.064,404 1.068,405 1.367,407 2.204,408 1.058,409 1.871,410 1.135,411 3.103,412 1.598,413 0.678,414 0.776,415 1.315,416 0.616,417 1.624,418 0.717,419 2.804,420 1.309,421 0.344,422 0.412,423 0.787,424 0.328,425 1.535,426 0.615,427 2.56,428 1.196,429 0.248,430 0.302,431 0.465,432 0.235,433 0.983,434 0.479,435 2.359,436 0.676,437 -0.271,438 -0.312,439 -0.518,440 -0.253,441 0.823,442 0.156,443 2.289,444 0.557,445 -0.43,446 -0.497,448 -1.065,449 -0.422,450 0.789,451 -0.034,452 2.17,453 0.392,454 -0.515,455 -0.621,457 -1.243,458 -0.467,459 12.1,460 0.465,461 0.596,462 0.023,463 33,464 1.269,465 17,466 0.654,467 16,468 0.615,469 20.251,470 0.779,471 28.7,472 0.598,473 24.661,474 0.949,475 6.623,476 0.255,477 5.868,478 0.226,479 0.163,481 0.289,485 0.947,486 1.202,487 0.86,488 1.044,489 0.902,490 0.942,491 0.648,492 0.915,493 0.818,494 1.003,495 0.432,496 0.962,497 0.985,498 1.121,499 1.012,500 1.075,501 0.97,502 1.055,503 1.026,504 0.936,505 1.123,506 1.033,507 0.93,508 1.089,509 0.789,510 1.086,511 0.984,512 1.114,513 0.858,514 1.091,515 0.79,516 0.924,517 0.862,518 0.905,519 0.762,520 0.903,521 0.686,522 1.327,523 0.937,524 1.219,525 0.45,526 1.14,527 0.814,528 1.002,529 1.093,530 1.047,531 0.663,532 1.094,533 5.5,534 0.116,535 2.444,536 1.25,537 1.307,538 0.667,539 0.508,540 0.335,541 0.271,542 0.147,543 7967,544 25824,545 1.952,546 45.8,547 8,548 6,550 1,551 5,552 2,555 1.688,556 1.814,557 3.554,558 2.558,559 1,560 1,564 76.505,565 1.594,566 3.984,567 4.929,568 5.194,569 5.194,570 5.194,571 3.094,572 4.47,573 4.663,574 3.759,575 1221.81,576 8.073,577 16179,579 1,581 1,582 268.078,583 1.448,584 4.62,585 0.204,586 0.007,587 0.07,588 0.036,589 0.042,590 0.022,591 0.016,592 0.012,593 0.012,594 0.007,595 0.429,596 0.17,597 1,598 2.008,599 130.322,600 -0.134,601 0.027,602 -0.01,603 0.054,604 -0.137,605 0.053,606 0.203,607 0.178,608 0.087,609 0.062,610 0.252,611 0.045,612 -0.127,613 -0.075,614 -0.088,615 -0.039,616 -0.135,617 -0.054,618 -0.127,619 0.082,620 -0.176,621 -0.025,622 -0.133,623 -0.099,624 -0.051,625 -0.097,626 -0.051,627 -0.084,628 -0.106,629 -0.069,630 0.098,631 0.046,632 0.109,633 0.09,634 0.046,635 0.096,636 -0.01,637 -0.299,638 -0.019,639 -0.191,640 0.091,641 -0.124,642 -0.055,643 0.012,644 -0.139,645 -0.081,646 -0.049,647 -0.112,648 2.441,649 3.471,650 0.462,651 29.55,652 1.007,653 1.132,654 2.867,655 8.217,656 0.651,657 3.332,658 3.584,659 3.738,660 3.912,661 4.111,662 4.127,663 4.127,664 4.174,665 4.248,666 4.174,667 7.207,668 0.624,669 354.45,670 3.332,671 4.828,672 5.624,673 6.46,674 7.28,675 8.124,676 8.957,677 9.807,678 10.648,679 11.501,680 8.3,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 1,718 48,719 14,720 1,721 27,723 49,724 19,725 10,726 3,727 3,729 2,730 2,739 5,740 2,741 11,742 6,744 1,748 1,751 1,753 1,754 1,757 22,758 7,759 5,760 7,764 4,769 1,770 3,776 1,781 2,788 2,792 1,800 1,802 2,806 1,810 26,811 2,815 1,816 5,818 1,823 1,827 2,829 6.3,831 1,832 1,834 1,836 14.333,837 8.683,838 5.972,839 2.711,840 3.009,841 1.446,842 0.928,843 7.402,844 9.752,845 3.611,846 4.143,847 4.62,848 5.119,849 5.656,850 5.857,851 6.156,852 6.455,853 6.786,854 7.056,855 1,856 35,857 9.522,859 3.843,860 7.987,861 17.781,863 13.668,865 2.487,866 64.667,869 1,870 200.109,871 115.03,872 99.365,874 78.828,877 115.03,878 278.937,879 99.365,880 10.883,881 12.673,882 94.223,883 114.08,884 34.847,885 38.288,886 188.338,888 200.109,889 214.396,890 78.828,893 200.109,894 78.828,897 23.619,898 123.144,899 67.632,901 200.109,902 178.194,903 115.03,906 200.109,907 32.61,908 48.359,909 34.061,910 178.194,911 200.109,912 178.194,913 115.03,915 0.563,916 0.306,917 0.155,918 0.085,919 13,920 7,921 0.143,922 7,924 1,925 3.838,926 193.741,928 12,929 122.211,933 19.711,934 9.764,935 6.33,937 178.194,938 7.296,939 7.953,943 3.749,945 108.478,946 493.332,947 36,951 10.471,954 -0.774,956 48.342,957 54.358,958 0.285,959 0.713,960 0.882,961 0.93,962 0.93,963 0.93,964 4.82,965 1.345,966 5.58,967 3.51,968 4.263,969 4.828,970 2.482,971 6.297,972 4.198,973 6.025,974 1.068,975 7.084,976 3.409,977 3.761,978 4.543,979 2.243,980 7.034,981 3.658,982 7.32,983 0.678,984 8.686,985 2.204,986 5.765,987 6.964,988 3.668,989 10.068,990 5.645,991 8.646,992 0.344,993 10.346,994 1.315,995 6.043,996 7.443,997 4.112,998 11.622,999 5.879,1000 9.998,1001 0.248,1002 12.042,1003 0.787,1004 7.525,1005 9.359,1006 5.207,1007 14.172,1008 7.35,1009 11.369,1010 -0.271,1011 13.765,1012 0.465,1013 8.188,1014 10.223,1015 5.889,1016 16.083,1017 7.971,1018 12.753,1019 -0.43,1020 15.508,1021 -0.518,1022 9.441,1023 11.898,1024 6.849,1025 18.447,1026 9.212,1027 2.98,1028 -0.515,1029 17.265,1030 -1.065,1031 10.306,1032 12.977,1033 7.625,1034 20.524,1035 10.038,1036 2.765,1037 9.444,1038 19.034,1039 -1.243,1040 11.455,1041 14.521,1042 8.526,1043 22.809,1044 11.171,1045 2.286,1046 8.479,1047 20.813,1048 3.997,1049 12.424,1050 15.723,1051 9.342,1052 24.965,1053 12.105,1054 2.23,1055 6.647,1056 22.598,1057 3.832,1058 13.528,1059 17.192,1060 10.216,1061 27.217,1062 13.19,1063 2.101,1064 5.821,1065 24.39,1066 3.137,1067 14.549,1068 18.466,1069 11.051,1070 29.41,1071 14.181,1072 1.673,1073 5.184,1074 26.187,1075 2.762,1076 15.634,1077 19.893,1078 11.912,1079 31.649,1080 15.245,1081 1.595,1082 4.275,1083 27.988,1084 2.71,1085 16.682,1086 21.208,1087 12.755,1088 33.863,1089 16.267,1090 8148,1091 14760,1092 17.394,1093 31.239,1094 39.837,1095 40.161,1096 39.924,1097 38.649,1098 38.628,1099 50.703,1100 7.762,1101 103.081,1102 37.261,1103 5.191,1104 5.596,1105 6.078,1106 5.025,1107 4.98,1108 6.997,1109 3.925,1110 15.9,1111 4.911,1112 15.372,1113 1.475,1114 1.487,1115 1.479,1116 1.431,1117 1.431,1118 1.878,1119 0.287,1120 3.818,1121 1.38,1122 3.995,1123 4.024,1124 3.949,1125 3.927,1126 7.474,1127 3.927,1128 3.818,1129 3.865,1130 3.779,1131 3.674,1132 6.351,1133 3.693,1134 3.731,1135 3.777,1136 3.609,1137 3.594,1138 5.291,1139 3.589,1140 3.466,1141 3.49,1142 3.389,1143 3.311,1144 4.98,1145 3.323,1146 3.253,1147 3.311,1148 3.112,1149 3.025,1150 4.912,1151 3.038,1152 3.211,1153 3.294,1154 3.072,1155 2.972,1156 4.656,1157 2.985,1158 3.04,1159 3.134,1160 2.881,1161 2.821,1162 4.447,1163 2.822,1164 2.99,1165 3.064,1166 2.832,1167 2.693,1168 4.236,1169 2.714,1170 0.161,1171 0.133,1172 0.232,1173 0.147,1174 0.11,1175 4.351,1176 0.148,1177 3.596,1178 0.087,1179 6.251,1180 0.35,1181 3.956,1182 0.108,1183 2.98,1184 3.997,1185 2.341,1186 9.444,1187 2.911,1188 1.955,1189 1.936,1190 2.047,1191 2.05,1192 1.291,1193 2.047,1194 1.765,1195 1.72,1196 1.961,1197 1.932,1198 1.212,1199 1.932,1200 1.706,1201 1.658,1202 1.824,1203 1.881,1204 0.887,1205 1.88,1206 1.413,1207 1.383,1208 1.62,1209 1.616,1210 0.798,1211 1.611,1212 1.195,1213 1.133,1214 1.559,1215 1.504,1216 0.574,1217 1.521,1218 1.163,1219 1.087,1220 1.403,1221 1.428,1222 0.407,1223 1.426,1224 0.984,1225 0.936,1226 1.236,1227 1.301,1228 0.264,1229 1.299,1230 0.908,1231 0.797,1232 1.206,1233 1.217,1234 0.135,1235 1.211,1236 4.007,1238 5.273,1240 6.72,1242 8.26,1244 9.853,1246 1.607,1250 11.434,1251 8.611,1252 2.742,1254 5.406,1261 6.172,1262 29.971,1263 76.505,1264 191.218,1265 236.568,1266 249.323,1267 249.323,1268 249.323,1269 58.06,1270 6.743,1271 124.35,1272 124.35,1273 12,1274 12.06,1275 3.907,1276 3.322,1277 55.206,1278 108,1279 126,1280 0.242,1281 191.057,1282 337.35,1283 457.94,1284 7214,1286 18.941,1287 0.728,1288 0.564,1289 18.941,1290 14.658,1291 12.49,1292 0.463,1293 0.305,1294 8.116,1295 11.982,1296 7.904,1297 6.615,1298 12.49,1299 8.237,1300 10.884,1301 0.311,1302 0.164,1303 10.884,1304 5.745,1305 8.131,1306 0.198,1307 0.092,1308 8.131,1309 3.753,1310 6.319,1311 0.129,1312 0.049,1313 6.319,1314 2.424,1315 4.879,1316 0.081,1317 0.026,1318 4.879,1319 1.554,1320 0.389,1321 78.652,1322 0.24,1323 25.74,1324 0.636,1325 124,1326 407.535,1327 137.357,1328 395.238,1329 522.62,1330 366,1331 138,1332 368.184,1333 148.977,1334 375.877,1335 533.91,1336 350,1337 4.602}
{0 CHEMBL341703,1 1.392,2 8.55,3 3.386,4 11.464,5 82.799,6 7.343,7 0.773,8 3.68,9 3.817,10 3.235,11 3.268,12 4.83,13 3.239,14 4.142,15 4.31,16 3.569,17 3.645,18 5.263,19 3.583,20 4.384,21 4.598,22 3.589,23 3.76,24 5.364,25 3.673,26 4.413,27 4.636,28 3.507,29 3.713,30 5.43,31 3.599,32 4.457,33 4.724,34 3.292,35 3.628,36 5.414,37 3.491,38 4.323,39 4.614,40 3.139,41 3.486,42 5.185,43 3.336,44 4.068,45 4.319,46 3.117,47 3.341,48 5.046,49 3.227,50 3.98,51 4.241,52 2.933,53 3.166,54 5.013,55 3.051,56 0.048,57 0.552,58 7.339,59 2.938,60 9.369,61 4.044,62 0.141,63 0.852,64 12.266,65 5.346,66 17.974,67 7.348,68 0.112,69 1.024,70 16.768,71 6.392,72 15.992,73 9.14,74 0.125,75 1.034,76 17.459,77 6.933,78 23.895,79 9.926,80 0.211,81 1.043,82 19.601,83 6.289,84 35.021,85 9.334,86 0.154,87 0.864,88 17.677,89 6.242,90 25.407,91 9.247,92 0.08,93 0.702,94 12.86,95 4.866,96 17.64,97 7.085,98 0.111,99 0.65,100 11.992,101 3.899,102 21.259,103 5.807,104 5,105 30,106 0.251,107 0.572,108 0.659,109 0.789,110 0.853,111 0.853,112 3.058,113 0.898,114 -5.01,115 -4.91,116 -4.61,119 44.4,121 2,139 8,140 3,143 1,144 1,147 1,157 2,158 2,159 2,166 13,169 1,170 3,172 3,173 3,175 1,178 16,180 1,182 3,187 1,189 13,191 1,193 5,195 1,196 1,197 1,198 5,200 2,201 9,204 5,205 1,207 3,212 4,215 9,218 4,221 2,226 3,229 8,231 3,234 4,239 3,241 6,243 3,246 4,251 3,254 3,256 3,260 2,265 3,268 1,270 3,273 490,274 13.637,275 13.637,276 13.637,277 13.637,278 13.637,279 11.53,280 12.033,281 8.213,282 13.816,283 10.888,284 10.888,285 10.888,286 10.888,287 10.888,288 7.803,289 12.359,290 3.922,291 11.187,292 3.778,293 2,294 1.521,295 0.799,296 0.444,297 0.444,298 3.741,300 1,301 1,302 1,303 369,304 2.236,307 151.838,311 79.208,314 1.195,315 12.777,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 42,327 171,328 4.615,329 3.243,330 6.767,331 4.142,332 3.165,333 4.573,335 11.061,336 3.095,337 3.903,338 2.739,339 5.399,340 3.529,341 2.534,342 3.447,344 7.065,345 2.524,346 3.713,347 2.47,348 5.28,349 3.267,350 2.323,351 3.174,353 6.678,354 2.191,355 3.451,356 2.078,357 5.06,358 2.963,359 2.011,360 2.863,362 5.821,363 1.912,364 3.155,365 1.983,366 4.776,367 2.768,368 1.81,369 2.381,371 5.056,372 1.726,373 2.915,374 1.567,375 3.681,376 2.483,377 1.485,378 2.085,380 3.147,381 1.482,382 2.664,383 1.256,384 3.642,385 2.2,386 1.217,387 1.733,389 2.76,390 1.194,391 2.5,392 1,393 3.247,394 2,395 1,396 1.5,398 2.136,399 1,400 1.849,401 0.7,402 3.176,403 1.621,404 0.628,405 0.743,407 1.498,408 0.623,409 1.285,410 0.041,411 2.725,412 0.831,413 -0.106,414 -0.141,415 -0.277,416 -0.099,417 1.09,418 -0.09,419 2.565,420 0.705,421 -0.278,422 -0.362,423 -0.724,424 -0.271,425 0.825,426 -0.314,427 2.356,428 0.421,429 -0.513,430 -0.628,431 -1.233,432 -0.478,433 0.586,434 -0.7,435 2.063,436 0.199,437 -0.785,438 -1.021,439 -1.762,440 -0.771,441 0.5,442 -0.86,443 1.648,444 0.015,445 -0.94,446 -1.268,448 -2.347,449 -0.901,450 0.368,451 -1,452 1.555,454 -1,455 -1.5,457 -2.363,458 -1,459 9.6,460 0.48,461 0.435,462 0.022,463 29.5,464 1.475,465 17,466 0.85,467 12.5,468 0.625,469 12.282,470 0.614,471 20.4,472 0.567,473 18.655,474 0.933,475 5.807,476 0.29,477 3.93,478 0.196,479 0.083,481 0.313,485 1.149,486 1.033,487 0.849,488 0.849,489 1.301,490 0.821,491 0.361,492 0.93,493 0.823,494 1.035,495 0.412,496 0.99,497 0.994,498 1.08,499 0.977,500 1.027,501 0.863,502 1.005,503 0.623,504 1.255,505 1.021,506 1.28,507 0.617,508 1.211,509 1.519,510 0.946,511 1.252,512 0.996,513 1.503,514 1.076,515 0.95,516 0.778,517 0.912,518 0.826,519 0.947,520 0.858,521 0.776,522 1.041,523 0.873,524 0.997,525 0.814,526 0.956,527 1.351,528 1.093,529 1.108,530 1.019,531 1.273,532 1.033,533 3.5,534 0.025,535 1.778,536 1.5,537 1.049,538 0.472,539 0.306,540 0.161,541 0.123,542 0.078,543 3806,544 9432,545 2.107,546 44.4,547 4,548 8,551 4,555 1.618,556 2,557 3.058,558 1.879,560 1,562 1,564 50.117,565 1.392,566 3.17,567 3.649,568 4.371,569 4.725,570 4.725,571 2.471,572 3.684,573 4.295,574 3.184,575 604.926,576 7.337,577 6126.52,578 1,579 1,580 1,581 1,582 186.117,583 1.295,584 4.266,585 0.159,586 0.008,587 0.059,588 0.05,589 0.04,590 0.024,591 0.017,592 0.009,593 0.009,594 0.01,595 0.385,596 0.33,597 1,598 0.548,599 88.123,600 -0.18,601 0.111,602 0.009,603 0.128,604 -0.27,605 0.097,606 0.446,607 0.132,608 0.057,609 -0.032,610 0.302,611 -0.031,612 -0.094,613 -0.069,614 -0.047,615 -0.044,616 -0.094,617 -0.041,618 0.202,619 -0.287,620 -0.084,621 -0.29,622 0.232,623 -0.232,624 -0.325,625 0.045,626 -0.252,627 -0.066,628 -0.32,629 -0.135,630 -0.056,631 0.119,632 0.101,633 0.163,634 -0.04,635 0.152,636 0.041,637 -0.11,638 0.096,639 0.002,640 0.079,641 0.045,642 -0.18,643 -0.107,644 -0.109,645 -0.084,646 -0.133,647 -0.088,648 1.449,649 1.996,650 0.8,651 13.2,652 0.992,653 1.125,654 3.784,655 14.32,656 0.683,657 3.135,658 3.434,659 3.689,660 3.97,661 4.159,662 4.143,663 4.159,664 4.234,665 4.304,666 4.205,667 5.038,668 0.646,669 264.36,670 3.135,671 4.654,672 5.493,673 6.365,674 7.22,675 8.1,676 8.963,677 9.847,678 10.714,679 11.601,680 11.1,684 2,690 2,694 2,695 8,696 2,700 4,702 17,711 2,718 36,719 17,720 2,721 22,723 38,724 16,725 14,726 4,727 8,729 3,730 4,739 2,741 14,742 2,753 1,754 1,757 16,758 4,759 4,760 4,764 4,769 0.667,776 1,781 3,785 1,802 2,810 20,811 2,816 2,836 10,837 6.233,838 4.417,839 2.054,840 3.329,841 1.497,842 1.032,843 3.421,844 10.029,845 3.45,846 4.094,847 4.714,848 5.339,849 5.894,850 6.097,851 6.401,852 6.781,853 7.154,854 7.17,855 0.833,856 30,857 7.332,859 3.068,860 7.65,861 14.092,863 11.486,865 2.15,866 43,867 0.001,870 141.253,871 96.194,872 99.365,877 96.194,878 141.253,879 99.365,881 5.069,882 141.604,883 33.571,884 11.088,885 4.227,886 141.253,888 141.253,889 195.56,893 141.253,897 9.112,898 152.876,899 33.571,901 141.253,902 99.365,903 96.194,906 141.253,907 20.384,908 75.81,910 99.365,911 141.253,912 99.365,913 96.194,915 0.574,916 0.332,917 0.19,918 0.101,919 15,920 6,921 0.079,922 3,923 1,924 1.125,925 3.281,926 149.648,927 0.125,928 16,929 82.439,933 12.733,934 5.374,935 2.696,936 1.721,937 99.365,938 16.348,939 8.301,943 3.134,945 65.794,946 336.813,947 30.5,956 35.709,957 40.484,958 0.269,959 0.613,960 0.706,961 0.846,962 0.914,963 0.914,964 4.647,965 1,966 5.46,967 2.76,968 4.111,969 4.779,971 6.248,972 4.059,973 5.862,974 0.628,975 6.997,976 2.136,977 3.611,978 4.559,980 7.116,981 3.516,982 7.167,983 -0.106,984 8.638,985 1.498,986 5.666,987 7.054,989 10.247,990 5.568,991 8.512,992 -0.278,993 10.345,994 -0.277,995 5.994,996 7.691,998 12.02,999 5.861,1000 9.891,1001 -0.513,1002 12.096,1003 -0.724,1004 7.516,1005 9.641,1007 14.673,1008 7.377,1009 11.295,1010 -0.785,1011 13.88,1012 -1.233,1013 8.263,1014 10.723,1016 16.831,1017 8.096,1018 12.722,1019 -0.94,1020 15.69,1021 -1.762,1022 9.556,1023 12.429,1025 19.324,1026 9.378,1027 3.165,1028 -1,1029 17.52,1030 -2.347,1031 10.515,1032 13.739,1034 21.635,1035 10.312,1036 2.534,1037 11.061,1038 19.367,1039 -2.363,1040 11.713,1041 15.336,1043 24.071,1044 11.495,1045 2.323,1046 7.065,1047 21.227,1048 4.573,1049 12.774,1050 16.759,1052 26.44,1053 12.53,1054 2.011,1055 6.678,1056 23.097,1057 3.447,1058 13.937,1059 18.31,1061 28.855,1062 13.674,1063 1.81,1064 5.821,1065 24.976,1066 3.174,1067 15.045,1068 19.785,1070 31.246,1071 14.758,1072 1.485,1073 5.056,1074 26.863,1075 2.863,1076 16.196,1077 21.317,1079 33.654,1080 15.889,1081 1.217,1082 3.147,1083 28.754,1084 2.381,1085 17.326,1086 22.816,1088 36.052,1089 16.995,1090 3691,1091 5908,1092 14.909,1093 24.591,1094 32.571,1095 32.306,1096 32.966,1097 32.437,1098 32.349,1099 44.995,1101 90.443,1102 31.493,1103 5.439,1104 5.243,1105 6.569,1106 5.214,1107 5.165,1108 7.573,1110 17.969,1111 5.095,1112 7.539,1113 1.481,1114 1.468,1115 1.498,1116 1.474,1117 1.47,1118 2.045,1120 4.111,1121 1.432,1122 4.083,1123 4.116,1124 4.049,1125 4.003,1126 5.306,1127 4.009,1128 3.898,1129 3.931,1130 3.825,1131 3.838,1132 4.981,1133 3.831,1134 3.503,1135 3.573,1136 3.424,1137 3.321,1138 4.758,1139 3.337,1140 3.327,1141 3.393,1142 3.188,1143 3.195,1144 4.685,1145 3.189,1146 3.099,1147 3.213,1148 2.971,1149 2.863,1150 4.178,1151 2.876,1152 2.854,1153 2.925,1154 2.696,1155 2.735,1156 3.939,1157 2.715,1158 2.841,1159 2.92,1160 2.687,1161 2.645,1162 3.72,1163 2.652,1164 2.725,1165 2.826,1166 2.565,1167 2.51,1168 3.674,1169 2.513,1170 0.21,1171 0.147,1172 0.308,1173 0.188,1174 0.144,1175 4.615,1176 0.208,1177 3.243,1179 6.767,1180 0.503,1181 4.142,1182 0.141,1183 3.165,1184 4.573,1186 11.061,1187 3.095,1188 2.036,1189 2.01,1190 2.12,1191 2.137,1192 1.329,1193 2.129,1194 1.902,1195 1.872,1196 2.019,1197 1.987,1198 1.12,1199 2.002,1200 1.451,1201 1.388,1202 1.661,1203 1.669,1204 0.832,1205 1.665,1206 1.327,1207 1.266,1208 1.52,1209 1.511,1210 0.426,1211 1.535,1212 1.015,1213 0.935,1214 1.278,1215 1.373,1216 0.308,1217 1.358,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.218,1223 1.107,1224 0.83,1225 0.743,1226 1.13,1227 1.05,1228 0.036,1229 1.077,1230 0.694,1231 0.606,1232 1.01,1233 0.984,1235 1.005,1236 3.807,1238 5.106,1240 6.616,1242 8.229,1244 9.897,1250 11.633,1252 1.864,1262 23.246,1263 50.117,1264 114.117,1265 131.362,1266 157.362,1267 170.117,1268 170.117,1269 23.424,1270 6.7,1271 77.82,1272 77.82,1273 18,1274 12.137,1275 4.17,1276 3.248,1277 29.952,1278 59,1279 60,1280 0.249,1281 145.826,1282 238.46,1283 347.575,1284 6692,1286 13.949,1287 0.697,1288 0.554,1289 13.949,1290 11.082,1291 9.737,1292 0.443,1293 0.299,1294 6.534,1295 9.536,1296 6.386,1297 5.318,1298 9.737,1299 6.584,1300 8.664,1301 0.289,1302 0.159,1303 8.664,1304 4.764,1305 7.045,1306 0.181,1307 0.087,1308 7.045,1309 3.381,1310 6.283,1311 0.121,1312 0.047,1313 6.283,1314 2.435,1315 4.826,1316 0.077,1317 0.026,1318 4.826,1319 1.625,1320 0.382,1321 59.817,1322 0.259,1323 19.831,1324 0.703,1325 104,1326 253.915,1327 110.383,1328 260.58,1329 366.78,1330 244,1331 121,1332 281.324,1333 126.662,1334 289.973,1335 421.13,1336 274,1337 6.292}
{0 CHEMBL342086,1 1.457,2 9.643,3 3.647,4 13.299,5 108.189,6 7.861,7 0.719,8 3.981,9 4.113,10 3.606,11 3.549,12 5.133,13 3.544,14 4.476,15 4.642,16 3.99,17 3.95,18 5.602,19 3.924,20 4.754,21 4.951,22 4.13,23 4.141,24 5.802,25 4.097,26 4.834,27 5.045,28 4.056,29 4.183,30 5.858,31 4.102,32 4.898,33 5.127,34 3.974,35 4.208,36 5.845,37 4.097,38 4.871,39 5.139,40 3.86,41 4.081,42 5.796,43 3.963,44 4.663,45 4.915,46 3.762,47 3.91,48 5.623,49 3.82,50 4.47,51 4.711,52 3.646,53 3.734,54 5.505,55 3.664,56 0.038,57 0.784,58 8.691,59 3.58,60 10.155,61 4.68,62 0.174,63 1.251,64 15.621,65 6.377,66 21.094,67 8.57,68 0.266,69 1.591,70 22.246,71 8.247,72 27.338,73 11.314,74 0.319,75 1.661,76 24.828,77 9.509,78 34.263,79 13.078,80 0.201,81 1.679,82 27.659,83 10.892,84 34.91,85 15.258,86 0.312,87 1.572,88 29.59,89 10.613,90 41.62,91 15.325,92 0.192,93 1.315,94 23.18,95 8.083,96 29.751,97 11.623,98 0.19,99 1.118,100 18.551,101 6.213,102 26.235,103 8.863,104 5,105 46,106 0.244,107 0.603,108 0.717,109 0.788,110 0.803,111 0.803,112 3.376,113 0.86,114 -5.1,115 -5,116 -4.68,119 44.7,121 2,125 1,139 8,140 2,141 2,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 11,169 2,170 4,172 3,173 3,178 12,181 4,182 6,184 1,185 1,189 11,192 2,193 2,195 3,196 3,197 1,200 2,201 11,205 1,207 4,209 1,210 1,215 11,220 2,221 10,223 1,224 1,229 7,234 8,241 3,246 10,248 1,249 1,251 4,256 4,260 12,265 6,270 6,273 1168,274 19.309,275 19.309,276 19.309,277 19.309,278 19.309,279 16.518,280 21.759,281 11.326,282 19.686,283 15.841,284 15.841,285 15.841,286 15.841,287 15.841,288 11.671,289 28.257,290 5.404,291 16.506,292 4.098,293 1.958,294 1.277,295 0.851,296 0.766,297 0.766,298 4.092,300 1,301 1,302 1,303 607,304 2.449,307 217.449,308 60.131,311 98.645,312 191.729,314 1.362,315 20.292,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 59.5,327 270,328 4.547,329 3.454,330 6.806,331 4.162,332 3.204,333 4.491,334 0.916,335 11.262,336 3.076,337 4.455,338 3.119,339 6.501,340 4.013,341 3.069,342 4.022,343 0.172,344 10.172,345 2.894,346 4.045,347 2.789,348 6.074,349 3.633,350 2.639,351 3.665,353 8.722,354 2.621,355 3.773,356 2.673,357 5.431,358 3.375,359 2.423,360 3.234,362 7.123,363 2.309,364 3.435,365 2.335,366 5.141,367 3.055,368 2.116,369 2.811,371 6.127,372 1.986,373 3.407,374 2.151,375 5.061,376 2.939,377 2.01,378 2.721,380 5.797,381 1.863,382 3.216,383 2.021,384 4.952,385 2.841,386 1.9,387 2.405,389 5.645,390 1.778,391 2.968,392 1.594,393 4.247,394 2.536,395 1.54,396 2.156,398 3.625,399 1.534,400 2.867,401 1.519,402 3.856,403 2.414,404 1.414,405 2.03,407 3.301,408 1.414,409 2.736,410 1.343,411 3.709,412 2.28,413 1.289,414 1.839,415 2.942,416 1.277,417 2.454,418 1.059,419 3.607,420 1.92,421 1.008,422 1.434,423 2.565,424 0.918,425 2.206,426 0.938,427 3.533,428 1.821,429 0.845,430 1.119,431 2.161,432 0.823,433 1.804,434 0.689,435 3.143,436 1.572,437 0.591,438 0.694,439 1.43,440 0.579,441 1.446,442 0.265,443 2.902,444 1.032,445 0.107,446 0.137,448 0.273,449 0.098,450 1.102,451 0.108,452 2.661,453 0.804,454 -0.184,455 -0.223,457 -0.457,458 -0.181,459 13.3,460 0.475,461 0.657,462 0.023,463 42.75,464 1.527,465 23.5,466 0.839,467 19.25,468 0.688,469 19.94,470 0.712,471 28.1,472 0.598,473 30.963,474 1.106,475 8.253,476 0.295,477 5.433,478 0.194,479 0.06,481 0.368,485 1.063,486 1.23,487 0.756,488 0.913,489 1.174,490 0.813,491 0.674,492 1.058,493 0.769,494 0.983,495 0.492,496 0.907,497 0.915,498 1.014,499 0.907,500 0.968,501 0.74,502 0.943,503 0.839,504 0.921,505 1.078,506 1.083,507 0.605,508 1.109,509 0.797,510 1.033,511 1.076,512 1.167,513 0.806,514 1.162,515 0.761,516 0.828,517 0.924,518 0.935,519 0.839,520 0.949,521 0.983,522 0.997,523 0.922,524 0.942,525 0.847,526 0.926,527 1.125,528 1.018,529 0.964,530 0.929,531 1.092,532 0.924,533 5,534 0.161,535 3.111,536 2.063,537 2.007,538 0.726,539 0.403,540 0.421,541 0.372,542 0.185,543 9536,544 23948,545 2.2,546 40.4,547 4,548 10,550 1,551 4,555 1.715,556 2.1,557 3.2,558 1.662,560 1,564 68.465,565 1.457,566 3.596,567 4.278,568 4.704,569 4.789,570 4.789,571 2.609,572 4.307,573 4.783,574 3.372,575 1274.49,576 8.342,577 16083.6,579 1,581 1,582 261.066,583 1.264,584 4.757,585 0.156,586 0.01,587 0.068,588 0.04,589 0.043,590 0.017,591 0.011,592 0.012,593 0.012,594 0.007,595 0.374,596 0.17,597 0.88,598 0.444,599 137.436,600 -0.143,601 -0.09,602 0.039,603 0.037,604 -0.218,605 0.059,606 0.264,607 0.029,608 0.087,609 -0.022,610 0.245,611 0.001,612 0.101,613 0.042,614 0.002,615 -0.015,616 0.038,617 -0.019,618 0.089,619 0.094,620 -0.153,621 -0.105,622 0.155,623 -0.153,624 -0.035,625 -0.092,626 -0.125,627 -0.143,628 -0.014,629 -0.146,630 0.1,631 0.073,632 0.104,633 0.087,634 0.005,635 0.095,636 -0.061,637 -0.059,638 0.084,639 0.058,640 -0.036,641 0.085,642 -0.08,643 -0.031,644 0.026,645 0.036,646 -0.046,647 0.044,648 1.567,649 1.99,650 0.893,651 20.449,652 1,653 1.127,654 3.874,655 15.008,656 0.694,657 3.497,658 3.85,659 4.174,660 4.5,661 4.796,662 4.913,663 5.069,664 5.236,665 5.425,666 5.509,667 5.797,668 0.666,669 369.47,670 3.497,671 5.056,672 5.932,673 6.832,674 7.724,675 8.627,676 9.525,677 10.43,678 11.329,679 12.234,680 14.9,684 2,688 1,690 4,694 2,695 9,696 4,700 7,702 23,711 2,714 1,718 47,719 23,720 2,721 32,723 51,724 21,725 18,726 4,727 8,729 5,730 9,736 2,739 2,741 18,742 3,754 1,757 19,758 7,759 4,760 7,764 7,769 0.4,774 1,776 1,781 4,782 1,785 1,786 2,802 2,810 28,811 2,816 3,821 1,836 13.333,837 8.417,838 6,839 2.742,840 4.595,841 1.555,842 1.069,843 4.066,844 12.872,845 3.795,846 4.46,847 5.094,848 5.716,849 6.322,850 6.595,851 7.008,852 7.451,853 7.923,854 8.178,855 1,856 52,857 10.288,859 4.459,860 7.625,861 19.801,863 16.689,865 2.125,866 59.5,869 1,870 176.567,871 114.76,872 136.061,877 114.76,878 176.567,879 136.061,881 7.175,882 141.604,883 78.913,884 30.673,885 4.227,886 164.795,888 176.567,889 250.821,893 178.282,897 26.146,898 155.817,899 67.142,901 176.567,902 136.061,903 114.76,906 176.567,907 29.903,908 87.982,910 132.936,911 176.567,912 136.061,913 114.76,915 0.586,916 0.351,917 0.204,918 0.117,919 25,920 10,921 0.039,922 2,923 3,924 1.24,925 3.897,926 266.195,927 0.24,928 25,929 120.606,933 16.905,934 6.735,935 3.055,936 0.883,937 136.061,938 18.736,939 17.196,943 6.16,945 65.794,946 427.387,947 43.5,956 47.014,957 52.979,958 0.262,959 0.647,960 0.77,961 0.847,962 0.862,963 0.862,964 5.035,965 1.54,966 5.922,967 5.645,968 4.533,969 5.147,970 0.918,971 6.765,972 4.45,973 6.259,974 1.414,975 7.494,976 3.625,977 4.111,978 4.956,979 0.325,980 7.703,981 3.972,982 7.578,983 1.289,984 9.167,985 3.301,986 6.151,987 7.408,988 0.671,989 10.847,990 5.983,991 8.932,992 1.008,993 10.901,994 2.942,995 6.553,996 8.037,997 0.393,998 12.628,999 6.326,1000 10.318,1001 0.845,1002 12.674,1003 2.565,1004 8.054,1005 9.953,1006 0.533,1007 15.282,1008 7.8,1009 11.726,1010 0.591,1011 14.475,1012 2.161,1013 8.85,1014 10.991,1015 0.384,1016 17.415,1017 8.538,1018 13.152,1019 0.107,1020 16.296,1021 1.43,1022 10.131,1023 12.669,1024 0.438,1025 19.9,1026 9.787,1027 3.204,1028 -0.184,1029 18.132,1030 0.273,1031 11.115,1032 13.922,1033 0.351,1034 22.182,1035 10.716,1036 3.069,1037 11.262,1038 19.98,1039 -0.457,1040 12.308,1041 15.489,1042 0.366,1043 24.609,1044 11.871,1045 2.639,1046 10.172,1047 21.837,1048 4.491,1049 13.38,1050 16.854,1051 0.312,1052 26.956,1053 12.891,1054 2.423,1055 8.722,1056 23.702,1057 4.022,1058 14.539,1059 18.371,1060 0.309,1061 29.363,1062 14.009,1063 2.116,1064 7.123,1065 25.573,1066 3.665,1067 15.651,1068 19.794,1069 0.273,1070 31.74,1071 15.071,1072 2.01,1073 6.127,1074 27.449,1075 3.234,1076 16.799,1077 21.291,1078 0.262,1079 34.143,1080 16.176,1081 1.9,1082 5.797,1083 29.33,1084 2.811,1085 17.93,1086 22.745,1087 0.236,1088 36.534,1089 17.259,1090 8772,1091 14079,1092 22.076,1093 32.608,1094 48.655,1095 48.364,1096 49.425,1097 48.325,1098 48.308,1099 65.519,1100 2.178,1101 142.288,1102 46.339,1103 5.428,1104 5.454,1105 6.492,1106 5.244,1107 5.204,1108 7.491,1109 1.605,1110 18.614,1111 5.076,1112 9.746,1113 1.52,1114 1.511,1115 1.545,1116 1.51,1117 1.51,1118 2.047,1119 0.068,1120 4.446,1121 1.448,1122 4.079,1123 4.122,1124 4.044,1125 3.985,1126 5.342,1127 3.988,1128 3.982,1129 4.025,1130 3.949,1131 3.831,1132 4.989,1133 3.862,1134 3.796,1135 3.826,1136 3.728,1137 3.748,1138 4.875,1139 3.74,1140 3.513,1141 3.583,1142 3.445,1143 3.327,1144 4.798,1145 3.347,1146 3.345,1147 3.412,1148 3.183,1149 3.23,1150 4.642,1151 3.21,1152 3.156,1153 3.242,1154 3.064,1155 2.936,1156 4.228,1157 2.959,1158 3.1,1159 3.218,1160 2.992,1161 2.779,1162 4.05,1163 2.822,1164 2.853,1165 2.918,1166 2.709,1167 2.75,1168 3.943,1169 2.733,1170 0.142,1171 0.108,1172 0.213,1173 0.13,1174 0.1,1175 4.547,1176 0.14,1177 3.454,1178 0.029,1179 6.806,1180 0.352,1181 4.162,1182 0.096,1183 3.204,1184 4.491,1185 0.916,1186 11.262,1187 3.076,1188 1.953,1189 1.918,1190 2.044,1191 2.118,1192 1.277,1193 2.084,1194 1.913,1195 1.885,1196 2.038,1197 2.01,1198 1.19,1199 2.01,1200 1.885,1201 1.847,1202 1.936,1203 1.99,1204 0.976,1205 2.005,1206 1.441,1207 1.381,1208 1.635,1209 1.661,1210 0.793,1211 1.648,1212 1.372,1213 1.311,1214 1.599,1215 1.532,1216 0.715,1217 1.571,1218 1.088,1219 1.015,1220 1.294,1221 1.382,1222 0.311,1223 1.366,1224 0.981,1225 0.874,1226 1.257,1227 1.347,1228 0.256,1229 1.333,1230 0.882,1231 0.824,1232 1.16,1233 1.047,1234 0.154,1235 1.089,1236 4.174,1238 5.517,1240 7.064,1241 2.708,1242 8.705,1243 5.38,1244 10.394,1250 11.647,1252 2.584,1257 2.294,1262 31.311,1263 68.465,1264 169.027,1265 201.066,1266 221.066,1267 225.066,1268 225.066,1269 32.967,1270 8.278,1271 106.84,1272 106.84,1273 31,1274 12.754,1275 4.585,1276 3.644,1277 37.452,1278 96,1279 106,1280 0.188,1281 190.601,1282 314.42,1283 456.827,1284 50354,1286 19.087,1287 0.682,1288 0.543,1289 19.087,1290 15.208,1291 13.687,1292 0.428,1293 0.287,1294 9.062,1295 13.272,1296 8.889,1297 7.336,1298 13.687,1299 9.168,1300 12.551,1301 0.273,1302 0.149,1303 12.551,1304 6.844,1305 10.916,1306 0.171,1307 0.079,1308 10.916,1309 5.05,1310 9.782,1311 0.11,1312 0.042,1313 9.782,1314 3.762,1315 8.421,1316 0.07,1317 0.023,1318 8.421,1319 2.745,1320 0.287,1321 84.914,1322 0.213,1323 26.088,1324 0.543,1325 156,1326 400.85,1327 168.961,1328 403.534,1329 575.75,1330 380,1331 188,1332 451.127,1333 201.822,1334 459.872,1335 678.53,1336 435,1337 5.292}
{0 CHEMBL342555,1 1.731,2 10.893,3 0.814,4 0.662,5 102.203,6 8.009,7 0.567,8 3.998,9 4.114,10 3.608,11 3.405,12 5.258,13 3.445,14 4.48,15 4.649,16 3.939,17 3.746,18 5.685,19 3.777,20 4.579,21 4.708,22 4.093,23 3.927,24 5.808,25 3.947,26 4.791,27 4.966,28 4.105,29 4.006,30 6.036,31 3.988,32 4.887,33 5.082,34 3.983,35 3.994,36 6.026,37 3.958,38 4.844,39 5.052,40 3.846,41 3.905,42 6.033,43 3.846,44 4.765,45 5.027,46 3.755,47 3.805,48 5.815,49 3.728,50 4.646,51 4.882,52 3.714,53 3.652,54 5.918,55 3.612,56 0.165,57 0.728,58 8.985,59 3.581,60 14.621,61 4.575,62 0.61,63 1.048,64 18.325,65 5.832,66 43.791,67 7.373,68 0.507,69 1.253,70 17.191,71 6.407,72 28.65,73 8.362,74 0.726,75 1.379,76 23.97,77 8.547,78 55.263,79 11.257,80 0.844,81 1.361,82 29.095,83 8.923,84 68.082,85 11.904,86 1.042,87 1.263,88 28.65,89 8.381,90 84.328,91 11.295,92 0.664,93 1.136,94 28.53,95 8.557,96 56.728,97 12.886,98 0.822,99 0.981,100 25.261,101 6.955,102 94.529,103 10.039,104 53,105 42,106 0.294,107 0.653,108 0.747,109 0.78,110 0.79,111 0.819,112 3.375,113 0.82,114 -2.24,115 -2.28,116 -2.25,119 37.5,124 3,125 1,139 3,140 2,141 4,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,166 2,169 3,170 9,172 3,173 3,175 1,178 2,180 1,181 2,182 6,187 1,191 1,192 5,193 8,195 3,196 3,197 1,198 2,200 2,201 2,204 2,205 1,206 1,207 1,212 1,215 2,218 1,220 5,221 5,223 1,224 1,226 1,229 2,231 1,233 1,234 3,245 4,246 7,248 2,249 2,251 2,256 2,259 1,260 1,273 1202,274 19.014,275 19.014,276 19.014,277 19.014,278 19.014,279 16.9,280 27.725,281 10.9,282 19.874,283 14.534,284 14.534,285 14.534,286 14.534,287 14.534,288 11.08,289 37.767,290 4.794,291 15.602,292 3.854,293 1.738,294 1.183,295 0.985,296 0.928,297 0.756,298 4.054,301 1,302 1,303 638,304 3.536,307 252.893,311 133.285,314 1.551,315 33.999,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 63,327 305,328 4.543,329 3.432,330 6.555,331 4.065,332 3.114,333 4.491,334 1.23,335 10.39,336 2.97,337 4.444,338 3.24,339 6.502,340 4.023,341 3.07,342 4.121,343 0.86,344 10.177,345 2.914,346 3.917,347 3.102,348 6.088,349 3.634,350 2.699,351 3.28,352 0.86,353 8.843,354 2.519,355 3.688,356 2.612,357 5.295,358 3.27,359 2.317,360 3.063,361 0.86,362 6.796,363 2.208,364 3.427,365 2.555,366 5.19,367 2.972,368 2.061,369 2.811,370 0.521,371 6.118,372 1.888,373 3.356,374 2.405,375 5.062,376 2.964,377 2.031,378 2.679,380 5.803,381 1.867,382 3.355,383 2.172,384 4.973,385 2.876,386 1.947,387 2.604,389 5.758,390 1.801,391 2.849,392 2.042,393 4.389,394 2.431,395 1.47,396 1.877,398 4.019,399 1.404,400 2.453,401 1.961,402 3.711,403 1.944,404 1.076,405 1.431,407 2.565,408 0.941,409 2.197,410 1.31,411 3.68,412 1.92,413 1.006,414 1.144,415 2.167,416 0.898,417 1.926,418 1.058,419 2.982,420 1.457,421 0.421,422 0.576,423 0.782,424 0.426,425 1.576,426 0.954,427 2.859,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.46,434 0.916,435 2.677,436 1.159,437 0.315,438 0.339,439 0.408,440 0.264,441 1.376,442 0.36,443 2.551,444 0.979,445 0.017,446 0.024,448 0.033,449 0.017,450 0.982,451 0.09,452 2.512,453 0.531,454 -0.388,455 -0.469,457 -0.786,458 -0.352,459 12.733,460 0.455,461 0.674,462 0.024,463 40,464 1.429,465 20.5,466 0.732,467 19.5,468 0.696,469 20.036,470 0.716,471 31.067,472 0.647,473 32.836,474 1.173,475 8.415,476 0.301,477 5.084,478 0.182,479 0.207,481 0.385,485 0.961,486 1.531,487 0.748,488 1.234,489 0.853,490 0.969,491 1.206,492 0.742,493 0.772,494 0.625,495 0.762,496 0.607,497 0.88,498 1.44,499 0.882,500 1.211,501 0.726,502 1.061,503 0.819,504 1.041,505 0.978,506 1.205,507 0.89,508 1.149,509 1.336,510 1.114,511 1.183,512 1.123,513 1.192,514 1.13,515 1.205,516 0.849,517 1.287,518 1.034,519 1.207,520 1.163,521 0.688,522 0.959,523 0.745,524 0.974,525 0.689,526 0.89,527 1.015,528 0.808,529 0.885,530 0.83,531 1.459,532 0.843,533 6.5,534 0.206,535 3.333,536 2.313,537 2.462,538 0.938,539 0.73,540 0.479,541 0.246,542 0.314,543 8874,544 29391,545 1.993,546 41.7,548 14,550 2,551 4,555 1.712,556 1.826,557 3.393,558 1.768,560 1,564 83.071,565 1.731,566 3.847,567 4.402,568 4.6,569 4.657,570 4.829,571 2.839,572 4.45,573 4.782,574 3.543,575 1339.4,576 8.324,577 17472.4,579 1,582 268.078,583 1.531,584 4.714,585 0.217,586 0.009,587 0.079,588 0.048,589 0.054,590 0.023,591 0.022,592 0.015,593 0.008,594 0.013,595 0.488,596 0.17,597 0.88,598 1.049,599 139.787,600 -0.141,601 -0.279,602 0.035,603 -0.146,604 -0.148,605 -0.022,606 -0.103,607 0.344,608 0.157,609 0.377,610 0.011,611 0.328,612 0.004,613 -0.237,614 -0.064,615 -0.144,616 -0.053,617 -0.116,618 0.102,619 0.044,620 -0.079,621 -0.177,622 0.039,623 -0.181,624 -0.241,625 -0.148,626 -0.21,627 -0.116,628 -0.173,629 -0.153,630 -0.089,631 0.111,632 -0.294,633 -0.065,634 -0.094,635 -0.205,636 0.113,637 -0.097,638 0.28,639 0.04,640 0.194,641 0.183,642 0.079,643 0.064,644 0.165,645 0.135,646 0.091,647 0.156,648 1.614,649 4.765,650 0.571,651 23.995,652 1.023,653 1.14,654 1.014,655 1.029,656 0.65,657 3.434,658 3.761,659 4.06,660 4.331,661 4.554,662 4.595,663 4.682,664 4.71,665 4.762,666 4.762,667 6.377,668 0.639,669 384.44,670 3.434,671 4.977,672 5.838,673 6.727,674 7.605,675 8.498,676 9.38,677 10.272,678 11.157,679 12.048,680 12.5,684 2,687 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 3,718 48,719 18,720 1,721 30,723 50,724 18,725 13,726 4,727 2,729 3,730 4,741 14,742 4,744 1,748 1,749 1,753 1,754 1,757 20,758 10,759 4,760 10,764 6,769 0.667,770 4,775 1,776 1,781 3,785 1,791 1,802 2,806 3,810 28,811 2,816 1,818 3,821 1,829 8.3,832 1,834 3,836 15.333,837 9.55,838 6.472,839 2.339,840 3.311,841 1.451,842 0.959,843 6.015,844 10.656,845 3.701,846 4.331,847 4.961,848 5.57,849 6.148,850 6.425,851 6.755,852 7.065,853 7.422,854 7.528,855 1,856 48,857 10.24,859 4.228,860 7.964,861 18.865,863 14.554,865 2.464,866 69,870 188.338,871 113.414,872 119.275,874 58.145,877 113.414,878 246.482,879 119.275,880 32.649,881 5.23,882 94.223,883 110.039,884 68.008,885 4.227,886 164.795,888 188.338,889 232.69,890 58.145,893 190.053,894 58.145,897 16.177,898 164.441,899 50.357,901 188.338,902 177.42,903 113.414,906 188.338,907 32.294,908 84.245,910 174.296,911 188.338,912 177.42,913 113.414,915 0.573,916 0.361,917 0.206,918 0.112,919 19,920 10,921 0.12,922 6,923 1,924 1.125,925 3.776,926 241.879,927 0.125,928 16,929 126.606,933 19.917,934 8.456,935 4.056,936 0.946,937 177.42,938 6.735,939 12.24,943 2.885,945 65.794,946 479.172,947 39.5,951 11.765,952 0.702,956 49.105,957 54.734,958 0.31,959 0.689,960 0.788,961 0.824,962 0.834,963 0.865,964 4.936,965 1.47,966 5.838,967 5.758,968 4.443,969 5.017,970 2.182,971 6.678,972 4.315,973 6.162,974 1.076,975 7.42,976 4.019,977 4.111,978 4.956,979 0.325,980 7.636,981 3.937,982 7.487,983 1.006,984 9.097,985 2.565,986 6.071,987 7.297,988 2.118,989 10.722,990 5.84,991 8.85,992 0.421,993 10.828,994 2.167,995 6.524,996 8.026,997 0.74,998 12.453,999 6.241,1000 10.242,1001 0.396,1002 12.593,1003 0.782,1004 7.968,1005 9.871,1006 2.175,1007 15.065,1008 7.642,1009 11.654,1010 0.315,1011 14.38,1012 0.603,1013 8.781,1014 10.979,1015 1.168,1016 17.128,1017 8.401,1018 13.083,1019 0.017,1020 16.183,1021 0.408,1022 10.025,1023 12.62,1024 2.332,1025 19.565,1026 9.605,1027 3.114,1028 -0.388,1029 17.999,1030 0.033,1031 11.007,1032 13.919,1033 1.605,1034 21.774,1035 10.533,1036 3.07,1037 10.39,1038 19.825,1039 -0.786,1040 12.173,1041 15.47,1042 2.564,1043 24.144,1044 11.657,1045 2.699,1046 10.177,1047 21.659,1048 4.491,1049 13.231,1050 16.865,1051 2.049,1052 26.417,1053 12.664,1054 2.317,1055 8.843,1056 23.499,1057 4.121,1058 14.368,1059 18.377,1060 2.851,1061 28.76,1062 13.757,1063 2.061,1064 6.796,1065 25.345,1066 3.28,1067 15.461,1068 19.819,1069 2.494,1070 31.062,1071 14.8,1072 2.031,1073 6.118,1074 27.195,1075 3.063,1076 16.588,1077 21.315,1078 3.176,1079 33.395,1080 15.881,1081 1.947,1082 5.803,1083 29.048,1084 2.811,1085 17.698,1086 22.78,1087 2.938,1088 35.711,1089 16.942,1090 8821,1091 16174,1092 19.304,1093 31.182,1094 44.266,1095 46.682,1096 47.376,1097 43.885,1098 43.882,1099 57.78,1100 8.663,1101 128.927,1102 40.918,1103 5.377,1104 5.432,1105 6.098,1106 5.14,1107 5.114,1108 7.491,1109 2.335,1110 17.311,1111 4.97,1112 16.967,1113 1.476,1114 1.556,1115 1.579,1116 1.463,1117 1.463,1118 1.926,1119 0.289,1120 4.298,1121 1.364,1122 4.062,1123 4.102,1124 4.036,1125 3.938,1126 7.453,1127 3.957,1128 3.934,1129 3.949,1130 3.903,1131 3.82,1132 5.324,1133 3.837,1134 3.575,1135 3.629,1136 3.512,1137 3.37,1138 4.983,1139 3.397,1140 3.359,1141 3.413,1142 3.293,1143 3.09,1144 4.972,1145 3.134,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.809,1151 3.026,1152 3.219,1153 3.292,1154 3.012,1155 2.91,1156 4.58,1157 2.917,1158 3.127,1159 3.225,1160 3.003,1161 2.863,1162 4.465,1163 2.862,1164 3.109,1165 3.202,1166 2.921,1167 2.812,1168 4.263,1169 2.848,1170 0.151,1171 0.114,1172 0.219,1173 0.135,1174 0.104,1175 4.543,1176 0.15,1177 3.432,1178 0.041,1179 6.555,1180 0.346,1181 4.065,1182 0.099,1183 3.114,1184 4.491,1185 1.23,1186 10.39,1187 2.97,1188 1.979,1189 1.947,1190 2.04,1191 2.124,1192 1.183,1193 2.1,1194 1.868,1195 1.856,1196 1.936,1197 2.008,1198 1.056,1199 1.984,1200 1.487,1201 1.434,1202 1.64,1203 1.731,1204 0.744,1205 1.706,1206 1.246,1207 1.191,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.57,1215 1.544,1216 0.572,1217 1.537,1218 1.167,1219 1.083,1220 1.524,1221 1.503,1222 0.556,1223 1.512,1224 1.084,1225 1.005,1226 1.343,1227 1.381,1228 0.236,1229 1.388,1230 0.998,1231 0.9,1232 1.265,1233 1.368,1234 0.09,1235 1.355,1236 4.111,1238 5.434,1240 6.969,1242 8.604,1244 10.29,1246 4.527,1250 11.495,1252 0.231,1254 15.999,1257 1.474,1262 30.675,1263 83.071,1264 184.64,1265 211.284,1266 220.794,1267 223.549,1268 231.814,1269 51.859,1270 7.345,1271 138.71,1272 138.71,1273 18,1274 12.577,1275 4.248,1276 3.392,1277 49.625,1278 107,1279 106,1280 0.227,1281 191.657,1282 327.58,1283 459.402,1284 14414,1286 20.259,1287 0.724,1288 0.56,1289 20.259,1290 15.67,1291 13.498,1292 0.45,1293 0.273,1294 7.965,1295 12.598,1296 7.706,1297 6.47,1298 13.498,1299 8.199,1300 11.701,1301 0.279,1302 0.138,1303 11.701,1304 5.799,1305 10.136,1306 0.178,1307 0.072,1308 10.136,1309 4.116,1310 8.705,1311 0.116,1312 0.037,1313 8.705,1314 2.801,1315 6.978,1316 0.074,1317 0.02,1318 6.978,1319 1.882,1320 0.354,1321 87.466,1322 0.228,1323 26.472,1324 0.632,1325 144,1326 522.147,1327 164.76,1328 489.299,1329 660.26,1330 458,1331 171,1332 477.321,1333 192.343,1334 485.735,1335 704.69,1336 448,1337 5.131}
{0 CHEMBL34259,1 1.779,2 14.697,3 0.384,4 0.147,5 115.875,6 8.264,7 0.486,8 4.129,9 4.252,10 3.741,11 3.552,12 5.436,13 3.591,14 4.604,15 4.769,16 4.115,17 3.915,18 6.017,19 3.931,20 4.866,21 5.051,22 4.182,23 4.069,24 6.157,25 4.065,26 4.964,27 5.17,28 4.129,29 4.083,30 6.238,31 4.056,32 4.961,33 5.173,34 4.087,35 4.047,36 6.34,37 4.011,38 4.882,39 5.104,40 4.023,41 3.967,42 6.338,43 3.926,44 4.744,45 4.943,46 3.922,47 3.875,48 6.141,49 3.844,50 4.687,51 4.908,52 3.76,53 3.767,54 5.947,55 3.735,56 0.265,57 0.868,58 9.752,59 3.866,60 38.452,61 4.934,62 0.64,63 1.288,64 17.974,65 6.489,66 92.407,67 8.866,68 0.861,69 1.517,70 25.487,71 8.079,72 111.973,73 10.957,74 0.992,75 1.524,76 30.516,77 9.339,78 140.439,79 12.694,80 1.125,81 1.449,82 31.389,83 9.196,84 175.502,85 13.019,86 1.17,87 1.321,88 29.753,89 8.807,90 175.427,91 12.489,92 0.838,93 1.193,94 24.573,95 7.811,96 130.855,97 10.817,98 0.786,99 1.115,100 23.94,101 6.377,102 106.055,103 9.05,104 74,105 49,106 0.292,107 0.694,108 0.838,109 0.874,110 0.88,111 0.88,112 3.531,113 0.836,114 -2.54,115 -2.57,116 -2.5,119 36.4,121 2,124 1,125 1,127 1,139 4,140 1,141 1,142 1,143 2,144 1,146 1,147 1,153 3,157 2,158 2,159 2,161 2,165 2,166 5,167 1,169 2,170 4,172 3,173 6,175 3,176 1,178 4,179 2,181 4,182 6,184 1,185 2,186 1,187 5,189 2,190 1,192 2,193 5,194 1,195 3,196 3,197 1,198 3,199 1,200 2,201 1,202 1,203 1,205 1,206 1,207 4,208 2,209 1,210 3,211 1,212 1,213 2,215 3,216 2,220 4,221 6,222 1,223 1,224 4,225 1,226 2,229 4,230 3,233 1,234 6,237 1,239 3,241 2,242 2,246 8,247 1,248 1,249 1,251 4,255 2,256 2,259 2,260 7,263 2,265 4,270 2,273 1988,274 21.378,275 21.378,276 21.378,277 21.378,278 21.378,279 18.861,280 26.293,281 12.441,282 21.807,283 17.228,284 17.228,285 17.228,286 17.228,287 17.228,288 13.344,289 32.22,290 5.908,291 17.937,292 4.003,293 1.549,294 0.668,295 0.45,296 0.414,297 0.414,298 4.207,301 1,303 1009,304 4.743,307 334.355,311 179.493,314 2.391,315 54.313,318 0.5,319 0.5,320 0.5,321 0.6,323 0.5,324 0.5,325 0.44,326 75,327 485,328 4.542,329 3.777,330 6.503,331 4.026,332 3.084,333 4.491,334 2.375,335 10.18,336 2.907,337 4.234,338 3.592,339 6.142,340 3.905,341 2.92,342 3.798,343 2.341,344 8.974,345 2.876,346 3.974,347 3.521,348 6.022,349 3.734,350 2.775,351 3.289,352 1.061,353 8.589,354 2.66,355 3.825,356 3.176,357 5.812,358 3.553,359 2.564,360 3.164,361 0.916,362 7.824,363 2.512,364 3.705,365 3.038,366 5.296,367 3.277,368 2.329,369 2.989,370 0.172,371 6.8,372 2.21,373 3.524,374 2.529,375 5.062,376 3.177,377 2.172,378 2.811,379 0.14,380 5.804,381 2.154,382 3.428,383 2.197,384 4.973,385 2.964,386 2.036,387 2.694,389 5.76,390 1.882,391 3.369,392 2.149,393 4.645,394 2.881,395 1.956,396 2.685,398 5.121,399 1.804,400 2.966,401 2.064,402 4.315,403 2.555,404 1.573,405 2.034,407 4.051,408 1.53,409 2.534,410 1.979,411 3.981,412 2.227,413 1.244,414 1.5,415 3.155,416 1.204,417 2.5,418 1.359,419 3.709,420 2.017,421 1.026,422 1.488,423 2.565,424 1.007,425 2.454,426 1.104,427 3.601,428 2,429 1,430 1.423,431 2.524,432 1,433 2.374,434 1.058,435 3.414,436 1.912,437 1,438 1.279,439 2.275,440 0.911,441 1.571,442 1,443 2.927,444 1.342,445 0.342,446 0.386,448 0.776,449 0.336,450 1.497,451 0.548,452 2.793,453 1.093,454 0.169,455 0.213,457 0.424,458 0.156,459 14.867,460 0.451,461 1.038,462 0.031,463 44.5,464 1.348,465 22,466 0.667,467 22.5,468 0.682,469 25.728,470 0.78,471 36.733,472 0.668,473 39.248,474 1.189,475 9.104,476 0.276,477 6.53,478 0.198,479 0.2,481 0.397,485 0.931,486 1.473,487 0.769,488 1.079,489 0.821,490 0.895,491 0.523,492 1.162,493 0.701,494 1.038,495 0.417,496 0.93,497 0.962,498 1.102,499 1.017,500 1.061,501 0.943,502 1.056,503 1.065,504 0.999,505 1.076,506 1.074,507 1.065,508 1.086,509 0.946,510 1.03,511 1.041,512 1.066,513 0.971,514 1.08,515 0.729,516 0.772,517 0.942,518 0.939,519 0.725,520 0.984,521 0.928,522 1.159,523 0.976,524 1.155,525 0.867,526 1.1,527 1.215,528 0.977,529 1.19,530 0.971,531 1.152,532 1.045,533 8.5,534 0.214,535 4.222,536 2.313,537 2.28,538 1.208,539 0.75,540 0.523,541 0.455,542 0.242,543 16151,544 59806,545 1.959,546 40,548 10,550 1,551 7,552 2,553 2,555 1.748,556 1.784,557 3.801,558 4.132,560 1,564 97.819,565 1.779,566 4.232,567 5.113,568 5.331,569 5.368,570 5.368,571 3.248,572 4.597,573 5.015,574 4.012,575 2118.48,576 8.756,577 33553.1,579 1,582 317.975,583 1.556,584 4.943,585 0.243,586 0.008,587 0.086,588 0.045,589 0.049,590 0.027,591 0.018,592 0.014,593 0.014,594 0.008,595 0.513,596 0.17,597 0.88,598 1.658,599 179.117,600 -0.201,601 -0.185,602 -0.024,603 0.027,604 -0.16,605 0.054,606 0.212,607 0.026,608 0.128,609 0.015,610 0.222,611 0.041,612 -0.092,613 -0.002,614 -0.122,615 -0.051,616 -0.116,617 -0.095,618 -0.136,619 0.005,620 -0.119,621 -0.066,622 -0.14,623 -0.092,624 0.004,625 -0.067,626 -0.059,627 -0.057,628 0.006,629 -0.07,630 0.205,631 0.18,632 0.055,633 0.064,634 0.203,635 0.034,636 0.006,637 -0.189,638 -0.014,639 -0.101,640 0.082,641 -0.068,642 -0.269,643 0.006,644 -0.209,645 -0.003,646 -0.202,647 -0.066,648 2.967,649 5.37,650 0.485,651 40.567,652 1.03,653 1.144,654 1.311,655 1.719,656 0.648,657 3.584,658 3.912,659 4.111,660 4.317,661 4.543,662 4.595,663 4.654,664 4.682,665 4.844,666 4.796,667 8.553,668 0.644,669 454.5,670 3.584,671 5.13,672 5.958,673 6.828,674 7.676,675 8.547,676 9.404,677 10.276,678 11.138,679 12.01,680 14.5,684 2,686 1,687 1,690 4,694 2,695 5,696 4,700 5,702 17,707 1,711 2,714 1,718 55,719 20,720 1,721 35,723 57,724 20,725 12,726 2,727 4,728 1,729 3,730 4,739 3,741 15,742 5,744 3,748 3,751 3,754 1,757 22,758 13,759 7,760 13,764 8,769 0.667,770 5,774 1,776 1,781 3,785 1,792 2,800 2,802 2,806 1,810 33,811 2,815 2,816 3,817 1,820 1,821 1,829 9.1,831 2,832 3,836 18.5,837 9.817,838 7.222,839 2.881,840 3.471,841 1.454,842 0.926,843 7.582,844 11.124,845 3.861,846 4.454,847 4.968,848 5.518,849 6.096,850 6.364,851 6.696,852 6.971,853 7.398,854 7.44,855 0.9,856 51,857 12.208,859 5.29,860 8.288,861 21.903,863 17.335,865 2.788,866 92,870 176.567,871 85.833,872 154.072,874 160.801,877 85.833,878 337.368,879 154.072,880 8.396,881 25.186,882 103.699,883 246.239,884 24.73,885 4.227,886 164.795,888 176.567,889 239.905,890 160.801,893 154.74,894 184.344,897 41.033,898 130.015,899 67.142,901 176.567,902 314.873,903 85.833,906 176.567,907 30.485,908 58.473,909 18.011,910 293.738,911 176.567,912 314.873,913 85.833,915 0.589,916 0.327,917 0.164,918 0.093,919 21,920 12,921 0.158,922 9,923 1,924 1.125,925 4.341,926 285.813,927 0.125,928 16,929 162.465,933 24.104,934 10.381,935 6.248,936 0.641,937 314.873,938 8.009,939 16.522,943 1.75,945 169.172,946 577.273,947 46.5,951 34.311,954 -3.054,956 56.636,957 62.94,958 0.308,959 0.732,960 0.884,961 0.922,962 0.928,963 0.928,964 5.101,965 1.956,966 5.964,967 5.76,968 4.595,969 5.142,970 3.11,971 6.751,972 4.516,973 6.321,974 1.573,975 7.52,976 5.121,977 4.29,978 5.056,979 2.903,980 7.612,981 4.175,982 7.631,983 1.244,984 9.17,985 4.051,986 6.18,987 7.331,988 4.388,989 10.653,990 6.023,991 8.97,992 1.026,993 10.872,994 3.155,995 6.608,996 8.002,997 4.832,998 12.282,999 6.417,1000 10.336,1001 1,1002 12.607,1003 2.565,1004 8.023,1005 9.827,1006 5.948,1007 14.854,1008 7.791,1009 11.72,1010 1,1011 14.363,1012 2.524,1013 8.788,1014 10.878,1015 6.632,1016 16.825,1017 8.518,1018 13.12,1019 0.342,1020 16.136,1021 2.275,1022 10.011,1023 12.515,1024 7.604,1025 19.22,1026 9.7,1027 3.084,1028 0.169,1029 17.921,1030 0.776,1031 10.941,1032 13.776,1033 8.385,1034 21.354,1035 10.589,1036 2.92,1037 10.18,1038 19.716,1039 0.424,1040 12.083,1041 15.328,1042 9.295,1043 23.68,1044 11.69,1045 2.775,1046 8.974,1047 21.519,1048 4.491,1049 13.096,1050 16.703,1051 10.118,1052 25.894,1053 12.659,1054 2.564,1055 8.589,1056 23.329,1057 3.798,1058 14.207,1059 18.219,1060 11,1061 28.197,1062 13.725,1063 2.329,1064 7.824,1065 25.144,1066 3.289,1067 15.261,1068 19.653,1069 11.843,1070 30.452,1071 14.734,1072 2.172,1073 6.8,1074 26.964,1075 3.164,1076 16.36,1077 21.155,1078 12.712,1079 32.749,1080 15.788,1081 2.036,1082 5.804,1083 28.789,1084 2.989,1085 17.437,1086 22.62,1087 13.563,1088 35.027,1089 16.817,1090 15960,1091 30832,1092 22.194,1093 35.648,1094 53.136,1095 54.507,1096 54.403,1097 52.44,1098 52.379,1099 68.488,1100 14.012,1101 149.643,1102 50.302,1103 5.453,1104 5.777,1105 5.917,1106 5.108,1107 5.084,1108 7.491,1109 3.989,1110 17.074,1111 4.907,1112 22.375,1113 1.518,1114 1.557,1115 1.554,1116 1.498,1117 1.497,1118 1.957,1119 0.4,1120 4.276,1121 1.437,1122 4.044,1123 4.094,1124 4.022,1125 3.9,1126 7.477,1127 3.917,1128 3.939,1129 3.972,1130 3.893,1131 3.82,1132 7.471,1133 3.841,1134 3.762,1135 3.801,1136 3.676,1137 3.588,1138 7.428,1139 3.6,1140 3.563,1141 3.625,1142 3.489,1143 3.368,1144 6.352,1145 3.389,1146 3.451,1147 3.472,1148 3.392,1149 3.183,1150 6.35,1151 3.228,1152 3.319,1153 3.382,1154 3.249,1155 3.066,1156 5.342,1157 3.101,1158 3.131,1159 3.22,1160 3.027,1161 2.85,1162 4.989,1163 2.883,1164 3.1,1165 3.154,1166 2.992,1167 2.779,1168 4.867,1169 2.821,1170 0.13,1171 0.108,1172 0.186,1173 0.115,1174 0.088,1175 4.542,1176 0.128,1177 3.777,1178 0.068,1179 6.503,1180 0.291,1181 4.026,1182 0.083,1183 3.084,1184 4.491,1185 2.375,1186 10.18,1187 2.907,1188 1.942,1189 1.908,1190 2.033,1191 2.116,1192 1.222,1193 2.082,1194 1.891,1195 1.854,1196 1.945,1197 2.023,1198 1.148,1199 2.014,1200 1.703,1201 1.662,1202 1.896,1203 1.905,1204 0.993,1205 1.9,1206 1.497,1207 1.436,1208 1.692,1209 1.726,1210 0.779,1211 1.718,1212 1.311,1213 1.285,1214 1.494,1215 1.611,1216 0.582,1217 1.563,1218 1.226,1219 1.16,1220 1.465,1221 1.516,1222 0.543,1223 1.506,1224 0.992,1225 0.963,1226 1.269,1227 1.377,1228 0.218,1229 1.357,1230 0.982,1231 0.875,1232 1.204,1233 1.316,1234 0.201,1235 1.256,1236 4.263,1238 5.587,1240 7.089,1242 8.676,1244 10.31,1246 1.816,1250 11.411,1251 17.913,1252 -0.218,1253 2.337,1256 -1.297,1257 1.86,1262 35.433,1263 97.819,1264 232.781,1265 281.22,1266 293.22,1267 295.22,1268 295.22,1269 94.24,1270 7.653,1271 210.54,1272 210.54,1273 18,1274 12.553,1275 4.392,1276 3.644,1277 64.688,1278 172,1279 152,1280 0.182,1281 222.571,1282 387.69,1283 534.834,1284 23794,1286 24.121,1287 0.731,1288 0.533,1289 24.121,1290 17.595,1291 15.634,1292 0.447,1293 0.279,1294 9.547,1295 14.786,1296 9.37,1297 7.758,1298 15.634,1299 9.75,1300 14.733,1301 0.301,1302 0.147,1303 14.733,1304 7.2,1305 11.23,1306 0.187,1307 0.079,1308 11.23,1309 4.721,1310 8.927,1311 0.121,1312 0.041,1313 8.927,1314 3.027,1315 7.114,1316 0.076,1317 0.021,1318 7.114,1319 1.917,1320 0.297,1321 100.014,1322 0.212,1323 31.328,1324 0.473,1325 168,1326 618.689,1327 193.419,1328 591.923,1329 776.75,1330 544,1331 193,1332 552.012,1333 216.071,1334 554.438,1335 801.74,1336 518,1337 8.563}
{0 CHEMBL342654,1 1.898,2 9.739,3 1.858,4 3.453,5 86.241,6 9.205,7 0.68,8 3.733,9 3.827,10 3.627,11 3.299,12 4.974,13 3.286,14 4.204,15 4.322,16 3.955,17 3.642,18 5.688,19 3.637,20 4.376,21 4.505,22 4.044,23 3.767,24 5.839,25 3.748,26 4.432,27 4.569,28 3.903,29 3.725,30 5.879,31 3.688,32 4.412,33 4.603,34 3.784,35 3.595,36 5.712,37 3.546,38 4.276,39 4.486,40 3.639,41 3.424,42 5.805,43 3.359,44 4.001,45 4.167,46 3.393,47 3.25,48 5.319,49 3.209,50 3.94,51 4.112,52 3.176,53 3.055,54 5.435,55 3.045,56 0.161,57 0.603,58 7.181,59 3.323,60 25.772,61 3.009,62 0.423,63 0.898,64 11.356,65 5.247,66 57.948,67 5.343,68 0.478,69 1.06,70 16.172,71 6.344,72 43.674,73 5.957,74 0.524,75 1.026,76 17.475,77 6.97,78 67.176,79 6.527,80 0.548,81 0.968,82 18.409,83 5.906,84 82.86,85 6.598,86 0.707,87 0.796,88 18.645,89 5.796,90 88.158,91 7.092,92 0.342,93 0.631,94 14.202,95 4.764,96 47.266,97 5.136,98 0.441,99 0.58,100 11.519,101 3.439,102 70.654,103 3.384,104 27,105 37,106 0.339,107 0.653,108 0.753,109 0.83,110 0.83,111 0.83,112 3.189,113 0.959,114 -2.76,115 -2.77,116 -2.69,119 38.9,124 1,139 6,141 2,143 2,144 2,147 1,157 2,158 2,159 2,166 3,169 2,170 4,172 3,173 3,178 2,181 4,182 10,184 1,185 1,189 2,193 9,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,207 3,209 1,210 1,212 2,215 4,218 2,220 6,223 2,224 2,229 2,233 1,234 5,239 2,243 2,246 5,248 2,249 2,251 2,256 2,265 2,270 2,273 686,274 15.09,275 15.09,276 15.09,277 15.09,278 15.09,279 12.843,280 14.955,281 8.521,282 15.788,283 12.231,284 12.231,285 12.231,286 12.231,287 12.231,288 8.726,289 15.652,290 3.928,291 13.328,292 3.271,293 1.515,294 0.952,295 0.521,296 0.521,297 0.521,298 3.862,300 1,301 1,302 1,303 476,304 3.24,307 190.371,311 100.079,314 1.49,315 37.793,317 1,318 1,319 1,320 1,321 0.4,323 0.83,324 1,325 0.75,326 51.5,327 224,328 4.978,329 5.351,330 7.669,331 4.381,332 3.52,333 4.887,334 2.95,335 13.629,336 3.021,337 4.503,338 3.202,339 6.492,340 3.981,341 3.034,342 4.43,343 0.86,344 10.12,345 2.849,346 3.91,347 2.984,348 5.593,349 3.456,350 2.511,351 3.476,353 7.079,354 2.362,355 3.595,356 2.765,357 5.257,358 3.101,359 2.185,360 3.031,362 6.314,363 1.998,364 3.425,365 2.222,366 5.064,367 2.947,368 2.008,369 2.811,371 5.799,372 1.879,373 3.267,374 2.065,375 5.005,376 2.798,377 1.868,378 2.558,380 5.721,381 1.722,382 2.925,383 1.481,384 4.261,385 2.307,386 1.338,387 2.066,389 3.796,390 1.292,391 2.5,392 1.074,393 3.708,394 2,395 1.003,396 1.5,398 2.565,399 1,400 2.447,401 1.043,402 3.414,403 1.945,404 1,405 1.423,407 2.275,408 0.942,409 1.653,410 1,411 3.089,412 1.35,413 0.487,414 0.549,415 0.742,416 0.416,417 1.396,418 0.558,419 2.775,420 0.91,421 -0.007,422 -0.009,423 -0.017,424 -0.006,425 1,426 0.056,427 2.642,428 0.473,429 -0.446,430 -0.577,431 -1.068,432 -0.408,433 0.97,434 -0.255,435 2.496,436 0.371,437 -0.548,438 -0.696,439 -1.158,440 -0.491,441 0.804,442 -0.32,443 2.418,444 0.132,445 -0.814,446 -1.065,448 -2.114,449 -0.76,450 0.592,451 -0.578,452 2.135,453 0.063,454 -0.86,455 -1.187,457 -2.549,458 -0.791,459 10.833,460 0.471,461 0.759,462 0.033,463 36,464 1.565,465 20.5,466 0.891,467 15.5,468 0.674,469 13.36,470 0.581,471 24.567,472 0.682,473 27.203,474 1.183,475 7.059,476 0.307,477 3.854,478 0.168,479 0.182,480 0.077,481 0.323,485 0.769,486 1.235,487 0.824,488 1.135,489 0.873,490 0.811,491 0.83,492 0.962,493 0.696,494 0.872,495 0.638,496 0.755,497 1.02,498 1.027,499 1.162,500 1.107,501 0.857,502 0.911,503 1.347,504 1.19,505 1.279,506 1.257,507 1.465,508 1.182,509 1.15,510 1.047,511 0.979,512 1.067,513 1.507,514 1.087,515 0.472,516 0.755,517 0.895,518 0.86,519 0.605,520 0.859,521 1.049,522 1.194,523 1.178,524 1.301,525 1.25,526 1.074,527 1.535,528 1.126,529 1.306,530 1.029,531 1.491,532 1.123,533 6.5,534 0.062,535 3.778,536 2.188,537 1.64,538 1.056,539 0.589,540 0.335,541 0.135,542 0.164,543 5185,544 18179,545 2.006,546 36.1,548 9,551 4,555 1.658,556 1.828,557 3.221,558 1.951,559 1,560 1,562 1,564 68.344,565 1.898,566 3.655,567 4.218,568 4.649,569 4.649,570 4.649,571 2.714,572 4.143,573 4.492,574 3.333,575 843.133,576 7.741,577 9242.5,578 1,579 1,581 1,582 186.117,583 1.72,584 4.418,585 0.26,586 0.008,587 0.102,588 0.055,589 0.048,590 0.039,591 0.024,592 0.016,593 0.008,594 0.015,595 0.574,596 0.33,597 1,598 0.872,599 106.291,600 -0.075,601 -0.037,602 0.165,603 0.009,604 -0.267,605 0.085,606 0.117,607 0.107,608 0.191,609 0.137,610 0.198,611 0.148,612 -0.068,613 0.098,614 -0.108,615 -0.013,616 0.06,617 -0.017,618 -0.266,619 -0.182,620 -0.267,621 -0.199,622 -0.167,623 -0.251,624 -0.17,625 -0.095,626 -0.008,627 -0.108,628 -0.302,629 -0.109,630 0.539,631 0.169,632 0.185,633 0.141,634 0.438,635 0.172,636 -0.047,637 -0.264,638 -0.085,639 -0.2,640 -0.081,641 -0.042,642 -0.305,643 -0.158,644 -0.397,645 -0.15,646 -0.152,647 -0.242,648 4.708,649 5.646,650 0.696,651 17.977,652 1.031,653 1.131,654 1.529,655 2.338,656 0.697,657 3.258,658 3.638,659 3.912,660 4.127,661 4.369,662 4.489,663 4.554,664 4.564,665 4.575,666 4.595,667 5.453,668 0.682,669 331.39,670 3.258,671 4.828,672 5.694,673 6.594,674 7.479,675 8.384,676 9.276,677 10.183,678 11.078,679 11.987,680 13.9,684 2,690 3,694 2,695 6,696 3,700 5,702 17,711 2,716 1,718 36,719 19,720 1,721 25,723 38,724 14,725 13,726 2,727 4,729 3,730 4,741 13,742 1,744 2,747 1,748 2,753 1,754 1,757 13,758 8,759 4,760 9,761 1,764 5,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,804 1,806 1,810 23,811 2,813 1,818 1,829 8.3,832 2,834 1,836 12.583,837 6.683,838 4.972,839 1.772,840 3.31,841 1.475,842 1.017,843 3.798,844 10.278,845 3.597,846 4.317,847 4.94,848 5.524,849 6.139,850 6.531,851 6.914,852 7.247,853 7.592,854 7.823,855 0.857,856 40,857 8.712,859 4.066,860 8.156,861 15.439,863 12.644,865 2.656,866 61.083,870 105.94,871 90.218,872 116.151,874 55.313,876 6.046,877 84.172,878 161.253,879 116.151,880 10.883,882 128.698,883 94.67,884 22.082,885 5.349,886 105.94,888 105.94,889 200.323,890 55.313,891 6.046,893 105.94,894 55.313,897 6.187,898 143.779,899 56.403,901 105.94,902 171.464,903 90.218,905 6.046,906 105.94,907 16.431,908 67.741,910 171.464,911 105.94,912 171.464,913 90.218,915 0.599,916 0.357,917 0.178,918 0.095,919 19,920 9,921 0.079,922 3,923 1,924 1.125,925 3.375,926 188.113,927 0.125,928 16,929 98.042,932 1,933 15.466,934 5.648,935 2.786,936 0.567,937 171.464,938 8.866,939 11.841,943 0.542,945 65.794,946 367.622,947 35.5,950 -3.791,951 25.291,956 37.102,957 40.701,958 0.367,959 0.707,960 0.816,961 0.899,962 0.899,963 0.899,964 4.846,965 1.003,966 5.746,967 3.796,968 4.317,969 5.004,970 2.99,971 6.648,972 4.15,973 6.134,974 1,975 7.381,976 2.565,977 4.205,978 5.198,980 7.972,981 3.873,982 7.518,983 0.487,984 9.133,985 2.275,986 6.057,987 7.441,988 5.034,989 11.044,990 5.676,991 8.947,992 -0.007,993 10.959,994 0.742,995 6.735,996 8.423,998 13.208,999 6.151,1000 10.411,1001 -0.446,1002 12.835,1003 -0.017,1004 8.154,1005 10.221,1006 7.185,1007 15.926,1008 7.51,1009 11.902,1010 -0.548,1011 14.747,1012 -1.068,1013 9.164,1014 11.538,1016 18.383,1017 8.318,1018 13.413,1019 -0.814,1020 16.687,1021 -1.158,1022 10.447,1023 13.184,1024 9.348,1025 21.014,1026 9.51,1027 3.52,1028 -0.86,1029 18.648,1030 -2.114,1031 11.594,1032 14.644,1034 23.569,1035 10.468,1036 3.034,1037 13.629,1038 20.625,1039 -2.549,1040 12.839,1041 16.235,1042 11.511,1043 26.18,1044 11.594,1045 2.511,1046 10.12,1047 22.614,1048 4.887,1049 14.042,1050 17.756,1052 28.769,1053 12.621,1054 2.185,1055 7.079,1056 24.614,1057 4.43,1058 15.281,1059 19.33,1060 13.675,1061 31.377,1062 13.722,1063 2.008,1064 6.314,1065 26.621,1066 3.476,1067 16.507,1068 20.878,1070 33.978,1071 14.782,1072 1.868,1073 5.799,1074 28.633,1075 3.031,1076 17.748,1077 22.448,1078 15.838,1079 36.587,1080 15.873,1081 1.338,1082 5.721,1083 30.651,1084 2.811,1085 18.986,1086 24.008,1088 39.194,1089 16.948,1090 5135,1091 9766,1092 16.008,1093 25.085,1094 38.007,1095 40.08,1096 39.904,1097 37.971,1098 37.908,1099 53.459,1100 7.62,1101 116.079,1102 34.963,1103 5.735,1104 7.351,1105 7.219,1106 5.516,1107 5.52,1108 7.887,1109 5.9,1110 21.636,1111 5.021,1112 13.093,1113 1.52,1114 1.603,1115 1.596,1116 1.519,1117 1.516,1118 2.138,1119 0.305,1120 4.643,1121 1.399,1122 4.152,1123 4.147,1124 4.754,1125 4.142,1126 7.715,1127 4.062,1128 3.935,1129 3.954,1130 3.963,1131 3.829,1132 6.999,1133 3.837,1134 3.653,1135 3.646,1136 3.721,1137 3.555,1138 5.32,1139 3.509,1140 3.318,1141 3.364,1142 3.281,1143 3.127,1144 4.987,1145 3.132,1146 3.173,1147 3.235,1148 3.007,1149 2.907,1150 4.85,1151 2.902,1152 3.112,1153 3.225,1154 2.995,1155 2.806,1156 4.741,1157 2.844,1158 2.854,1159 2.925,1160 2.687,1161 2.735,1162 4.327,1163 2.715,1164 2.652,1165 2.759,1166 2.528,1167 2.468,1168 4.164,1169 2.467,1170 0.199,1171 0.214,1172 0.307,1173 0.175,1174 0.141,1175 4.978,1176 0.195,1177 5.351,1178 0.118,1179 7.669,1180 0.545,1181 4.381,1182 0.121,1183 3.52,1184 4.887,1185 2.95,1186 13.629,1187 3.021,1188 2.031,1189 2.04,1190 2.011,1191 2.133,1192 1.224,1193 2.135,1194 1.88,1195 1.855,1196 1.952,1197 1.987,1198 1.021,1199 1.992,1200 1.502,1201 1.516,1202 1.57,1203 1.681,1204 0.639,1205 1.689,1206 1.228,1207 1.181,1208 1.498,1209 1.507,1210 0.543,1211 1.52,1212 1.111,1213 1.049,1214 1.273,1215 1.383,1216 0.294,1217 1.372,1218 0.996,1219 0.895,1220 1.181,1221 1.336,1222 0.218,1223 1.363,1224 0.886,1225 0.821,1226 1.047,1227 1.062,1229 1.107,1230 0.611,1231 0.542,1232 0.919,1233 0.929,1235 0.939,1236 3.932,1238 5.293,1240 6.864,1242 8.525,1244 10.232,1246 1.503,1250 11.248,1254 5.017,1262 24.546,1263 68.344,1264 131.588,1265 151.853,1266 167.362,1267 167.362,1268 167.362,1269 45.599,1270 6.969,1271 134.08,1272 142.46,1273 18,1274 12.506,1275 4.322,1276 3.524,1277 36.838,1278 74,1279 87,1280 0.249,1281 156.555,1282 259.74,1283 373.754,1284 8676,1286 16.613,1287 0.722,1288 0.561,1289 16.863,1290 12.91,1291 10.913,1292 0.437,1293 0.32,1294 6.502,1295 9.605,1296 6.228,1297 5.177,1298 11.702,1299 7.988,1300 10.435,1301 0.282,1302 0.177,1303 11.754,1304 6.56,1305 8.787,1306 0.179,1307 0.1,1308 10.114,1309 4.877,1310 7.004,1311 0.115,1312 0.053,1313 8.074,1314 3.257,1315 5.412,1316 0.069,1317 0.029,1318 6.412,1319 2.261,1320 0.383,1321 77.283,1322 0.25,1323 22.27,1324 0.71,1325 124,1326 435.627,1327 179.513,1328 440.076,1329 595.61,1330 404,1331 148,1332 414.44,1333 209.019,1334 455.568,1335 666.53,1336 425,1337 5.699}
{0 CHEMBL34293,1 1.609,2 12.321,3 3.29,4 10.821,5 109.041,6 8.14,7 0.6,8 3.934,9 4.043,10 3.553,11 3.486,12 5.23,13 3.491,14 4.366,15 4.505,16 3.882,17 3.834,18 5.716,19 3.816,20 4.546,21 4.697,22 3.929,23 3.96,24 5.787,25 3.924,26 4.653,27 4.839,28 3.801,29 3.923,30 5.883,31 3.857,32 4.606,33 4.824,34 3.718,35 3.868,36 5.705,37 3.786,38 4.546,39 4.768,40 3.765,41 3.824,42 5.711,43 3.759,44 4.47,45 4.669,46 3.688,47 3.78,48 5.659,49 3.712,50 4.438,51 4.666,52 3.519,53 3.67,54 5.569,55 3.585,56 0.105,57 0.659,58 7.902,59 3.739,60 18.931,61 4.275,62 0.34,63 0.984,64 13.873,65 6.331,66 48.734,67 7.595,68 0.204,69 1.162,70 16.439,71 7.392,72 30.392,73 8.986,74 0.422,75 1.228,76 20.983,77 8.198,78 62.351,79 9.937,80 0.311,81 1.158,82 21.246,83 8.299,84 56.962,85 10.904,86 0.374,87 1.108,88 20.15,89 7.673,90 48.809,91 10.471,92 0.203,93 1.057,94 17.135,95 7.048,96 33.92,97 9.263,98 0.298,99 1.013,100 17.735,101 6.421,102 44.73,103 8.67,104 30,105 41,106 0.272,107 0.665,108 0.769,109 0.849,110 0.866,111 0.866,112 3.374,113 0.835,114 -4.59,115 -4.51,116 -4.25,119 45.7,121 1,124 1,138 2,139 7,140 5,141 1,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 15,167 1,169 1,170 5,172 3,173 4,175 2,178 18,179 2,180 1,182 7,187 3,189 17,190 2,191 1,193 6,195 1,196 1,197 1,198 4,200 2,201 13,202 1,204 2,205 1,207 4,212 3,215 12,216 1,218 2,220 2,221 6,223 1,224 1,226 4,229 11,230 1,231 3,234 6,239 4,241 9,242 1,243 3,246 5,248 1,249 1,251 4,254 6,255 2,256 3,260 6,265 5,268 3,269 2,270 3,273 1294,274 18.679,275 18.679,276 18.679,277 18.679,278 18.679,279 16.075,280 21.264,281 10.929,282 19.036,283 14.71,284 14.71,285 14.71,286 14.71,287 14.71,288 10.734,289 23.806,290 5.103,291 15.192,292 3.914,293 1.593,294 0.982,295 0.511,296 0.408,297 0.408,298 4.055,300 1,301 1,302 1,303 724,304 3.317,307 301.342,314 1.893,315 30.625,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 61,327 345,328 4.364,329 3.577,330 6.251,331 3.957,332 2.981,333 4.008,334 1.437,335 9.445,336 2.912,337 4.239,338 3.274,339 5.984,340 3.789,341 2.791,342 3.856,343 0.86,344 8.48,345 2.781,346 4.154,347 3.012,348 5.929,349 3.721,350 2.76,351 3.775,352 0.68,353 8.228,354 2.651,355 3.974,356 2.899,357 5.361,358 3.404,359 2.41,360 3.292,362 6.956,363 2.389,364 3.559,365 2.641,366 5.177,367 3.169,368 2.187,369 2.888,371 6.439,372 2.144,373 3.446,374 2.324,375 4.963,376 3.021,377 2.095,378 2.753,380 5.821,381 1.932,382 3.056,383 1.981,384 4.42,385 2.544,386 1.595,387 2.074,389 4.273,390 1.509,391 2.928,392 1.933,393 4.074,394 2.302,395 1.346,396 1.905,398 3.497,399 1.283,400 2.773,401 1.499,402 3.798,403 2.291,404 1.292,405 1.888,407 3.003,408 1.27,409 2.678,410 1.162,411 3.414,412 2,413 1,414 1.5,415 2.275,416 1,417 2.5,418 1,419 3.25,420 1.775,421 0.816,422 1.307,423 1.78,424 0.774,425 1.859,426 0.809,427 3.1,428 1.478,429 0.53,430 0.701,431 1.14,432 0.498,433 1.545,434 0.615,435 2.77,436 1.235,437 0.314,438 0.372,439 0.626,440 0.288,441 1.063,442 0.464,443 2.444,444 0.718,445 -0.24,446 -0.288,448 -0.474,449 -0.226,450 0.968,451 0.248,452 2.359,453 0.593,454 -0.381,455 -0.476,457 -0.94,458 -0.372,459 13.1,460 0.468,461 0.715,462 0.026,463 40.5,464 1.446,465 23,466 0.821,467 17.5,468 0.625,469 18.729,470 0.669,471 28.9,472 0.628,473 31.561,474 1.127,475 8.397,476 0.3,477 5.06,478 0.181,479 0.15,481 0.344,485 0.947,486 1.025,487 0.773,488 0.868,489 0.936,490 0.788,491 0.678,492 0.759,493 0.739,494 0.833,495 0.442,496 0.814,497 0.876,498 1.169,499 0.989,500 1.153,501 0.755,502 1.101,503 1.168,504 0.948,505 1.221,506 1.081,507 1.082,508 1.149,509 0.82,510 0.974,511 0.969,512 1.009,513 0.875,514 1.017,515 0.545,516 0.88,517 0.765,518 0.873,519 0.409,520 0.863,521 0.701,522 1.244,523 0.954,524 1.167,525 0.477,526 1.122,527 0.745,528 0.967,529 1.075,530 1.034,531 0.664,532 1.083,533 6.5,534 0.14,535 3.333,536 1.375,537 1.649,538 0.882,539 0.527,540 0.434,541 0.332,542 0.207,543 10060,544 33224,545 2.013,546 39.1,547 2,548 10,550 1,551 5,555 1.708,556 1.867,557 3.571,558 2.467,559 1,560 1,564 74.032,565 1.609,566 3.931,567 4.542,568 5.012,569 5.116,570 5.116,571 3.071,572 4.084,573 4.777,574 3.754,575 1419.12,576 8.297,577 19423.3,579 1,581 1,582 254.084,583 1.47,584 4.727,585 0.217,586 0.006,587 0.081,588 0.033,589 0.047,590 0.027,591 0.015,592 0.014,593 0.013,594 0.008,595 0.461,597 1,598 0.887,599 142.751,600 -0.153,601 0.089,602 -0.015,603 0.103,604 -0.204,605 0.086,606 0.184,607 0.286,608 0.101,609 0.16,610 0.24,611 0.114,612 -0.104,613 -0.135,614 -0.147,615 -0.165,616 -0.053,617 -0.161,618 -0.175,619 0.041,620 -0.276,621 -0.104,622 -0.155,623 -0.192,624 -0.056,625 -0.028,626 0.005,628 -0.094,629 0.014,630 0.182,631 0.089,632 0.212,633 0.127,634 0.151,635 0.166,636 -0.023,637 -0.256,638 -0.035,639 -0.172,640 0.062,641 -0.121,642 -0.027,643 0.048,644 -0.106,645 -0.071,646 -0.049,647 -0.086,648 2.634,649 3.909,650 0.643,651 28.959,652 1.012,653 1.12,654 3.363,655 11.31,656 0.689,657 3.434,658 3.738,659 3.951,660 4.127,661 4.357,662 4.382,663 4.382,664 4.443,665 4.595,666 4.585,667 7.21,668 0.672,669 374.43,670 3.434,671 4.963,672 5.79,673 6.645,674 7.488,675 8.345,676 9.193,677 10.051,678 10.902,679 11.76,680 8.7,684 2,690 2,695 8,696 2,700 8,702 18,709 1,711 2,716 1,718 46,719 20,720 2,721 30,723 48,724 21,725 16,726 5,727 7,728 1,729 3,730 3,739 1,740 2,741 17,742 2,744 1,748 1,751 1,754 1,757 18,758 7,759 5,760 7,764 4,769 1,770 3,776 1,781 3,788 2,800 1,802 3,806 1,810 28,811 2,815 1,816 1,818 1,823 1,827 2,829 6.5,831 1,832 1,834 1,836 15,837 8.517,838 6.25,839 2.392,840 4.303,841 1.595,842 0.969,843 5.904,844 11.536,845 3.761,846 4.363,847 4.94,848 5.464,849 6.041,850 6.312,851 6.703,852 7.059,853 7.576,854 7.945,855 1,856 42,857 10.231,859 4.262,860 8,861 18.892,863 14.8,865 2.5,866 70,869 1,870 153.024,871 149.168,872 99.365,874 78.828,877 149.168,878 231.852,879 99.365,880 10.883,881 2.535,882 132.128,883 114.08,884 41.219,885 38.288,886 141.253,888 153.024,889 248.534,890 78.828,893 153.024,894 78.828,897 13.481,898 167.42,899 67.632,901 153.024,902 178.194,903 149.168,906 153.024,907 28.843,908 86.264,909 34.061,910 178.194,911 153.024,912 178.194,913 149.168,915 0.58,916 0.334,917 0.166,918 0.091,919 18,920 9,921 0.083,922 4,924 1,925 3.984,926 228.838,928 18,929 130.606,933 19.374,934 8.533,935 4.874,937 178.194,938 13.587,939 7.963,943 4.503,945 108.478,946 480.386,947 42,951 10.909,954 -0.967,956 46.574,957 51.528,958 0.291,959 0.712,960 0.822,961 0.907,962 0.926,963 0.926,964 4.987,965 1.346,966 5.771,967 4.273,968 4.419,969 5.05,970 2.019,971 6.532,972 4.363,973 6.22,974 1.292,975 7.309,976 3.497,977 4.007,978 4.796,980 7.338,981 3.928,982 7.532,983 1,984 8.938,985 3.003,986 5.979,987 7.253,988 2.402,989 10.35,990 5.883,991 8.875,992 0.816,993 10.619,994 2.275,995 6.33,996 7.75,998 11.918,999 6.209,1000 10.242,1001 0.53,1002 12.332,1003 1.78,1004 7.785,1005 9.687,1006 2.975,1007 14.441,1008 7.653,1009 11.627,1010 0.314,1011 14.066,1012 1.14,1013 8.489,1014 10.55,1016 16.341,1017 8.33,1018 13.024,1019 -0.24,1020 15.814,1021 0.626,1022 9.725,1023 12.239,1024 3.637,1025 18.678,1026 9.555,1027 2.981,1028 -0.381,1029 17.574,1030 -0.474,1031 10.604,1032 13.306,1034 20.736,1035 10.409,1036 2.791,1037 9.445,1038 19.342,1039 -0.94,1040 11.742,1041 14.858,1042 4.336,1043 22.998,1044 11.533,1045 2.76,1046 8.48,1047 21.118,1048 4.008,1049 12.71,1050 16.045,1052 25.135,1053 12.477,1054 2.41,1055 8.228,1056 22.898,1057 3.856,1058 13.804,1059 17.518,1060 5.05,1061 27.368,1062 13.554,1063 2.187,1064 6.956,1065 24.684,1066 3.775,1067 14.819,1068 18.777,1070 29.546,1071 14.546,1072 2.095,1073 6.439,1074 26.473,1075 3.292,1076 15.894,1077 20.205,1078 5.77,1079 31.77,1080 15.603,1081 1.595,1082 5.821,1083 28.266,1084 2.888,1085 16.933,1086 21.508,1088 33.969,1089 16.619,1090 9881,1091 18080,1092 19.592,1093 31.716,1094 45.752,1095 45.568,1096 45.914,1097 44.24,1098 44.236,1099 60.639,1100 5.953,1101 123.925,1102 42.867,1103 5.143,1104 5.577,1105 5.794,1106 5.026,1107 4.981,1108 7.008,1109 2.873,1110 15.9,1111 4.912,1112 15.985,1113 1.525,1114 1.519,1115 1.53,1116 1.475,1117 1.475,1118 2.021,1119 0.198,1120 4.131,1121 1.429,1122 4.013,1123 4.037,1124 3.97,1125 3.955,1126 7.475,1127 3.955,1128 3.908,1129 3.934,1130 3.861,1131 3.837,1132 6.351,1133 3.838,1134 3.802,1135 3.843,1136 3.764,1137 3.657,1138 5.291,1139 3.679,1140 3.392,1141 3.398,1142 3.36,1143 3.262,1144 4.981,1145 3.28,1146 3.238,1147 3.303,1148 3.128,1149 3.004,1150 4.948,1151 3.022,1152 3.208,1153 3.262,1154 3.073,1155 2.959,1156 4.761,1157 2.978,1158 3.016,1159 3.129,1160 2.871,1161 2.785,1162 4.488,1163 2.796,1164 2.967,1165 3.01,1166 2.824,1167 2.735,1168 4.446,1169 2.715,1170 0.145,1171 0.119,1172 0.208,1173 0.132,1174 0.099,1175 4.364,1176 0.134,1177 3.577,1178 0.048,1179 6.251,1180 0.315,1181 3.957,1182 0.097,1183 2.981,1184 4.008,1185 1.437,1186 9.445,1187 2.912,1188 1.972,1189 1.955,1190 2.054,1191 2.054,1192 1.215,1193 2.052,1194 1.893,1195 1.872,1196 1.99,1197 1.988,1198 1.082,1199 1.987,1200 1.736,1201 1.694,1202 1.822,1203 1.905,1204 0.877,1205 1.886,1206 1.318,1207 1.307,1208 1.574,1209 1.533,1210 0.575,1211 1.541,1212 1.173,1213 1.103,1214 1.416,1215 1.458,1216 0.41,1217 1.444,1218 1.137,1219 1.083,1220 1.306,1221 1.412,1222 0.257,1223 1.374,1224 0.919,1225 0.89,1226 1.234,1227 1.297,1228 0.218,1229 1.294,1230 0.907,1231 0.821,1232 1.181,1233 1.124,1234 0.12,1235 1.12,1236 4.111,1238 5.416,1240 6.911,1242 8.488,1244 10.106,1246 1.594,1250 11.469,1251 8.947,1252 0.47,1254 5.424,1261 6.1,1262 30.918,1263 74.032,1264 180.823,1265 208.923,1266 230.574,1267 235.329,1268 235.329,1269 51.55,1270 7.233,1271 124.35,1272 124.35,1273 18,1274 12.313,1275 4.392,1276 3.7,1277 49.829,1278 121,1279 120,1280 0.199,1281 194.067,1282 340.77,1283 465.282,1284 13683,1286 20.096,1287 0.718,1288 0.541,1289 20.096,1290 15.139,1291 13.457,1292 0.449,1293 0.278,1294 8.23,1295 12.955,1296 8.007,1297 6.693,1298 13.457,1299 8.352,1300 12.101,1301 0.295,1302 0.146,1303 12.101,1304 5.975,1305 9.805,1306 0.192,1307 0.08,1308 9.805,1309 4.061,1310 7.594,1311 0.124,1312 0.043,1313 7.594,1314 2.611,1315 6.014,1316 0.078,1317 0.022,1318 6.014,1319 1.732,1320 0.319,1321 84.45,1322 0.226,1323 27.122,1324 0.53,1325 142,1326 459.535,1327 155.357,1328 450.928,1329 606.38,1330 418,1331 163,1332 438.184,1333 174.641,1334 450.595,1335 646.13,1336 420,1337 5.086}
{0 CHEMBL34337,1 1.458,2 10,3 2.067,4 4.272,5 88.61,6 7.36,7 0.708,8 3.791,9 3.938,10 3.346,11 3.302,12 4.946,13 3.289,14 4.269,15 4.466,16 3.682,17 3.667,18 5.385,19 3.629,20 4.474,21 4.687,22 3.71,23 3.798,24 5.496,25 3.731,26 4.567,27 4.813,28 3.589,29 3.766,30 5.591,31 3.648,32 4.583,33 4.88,34 3.422,35 3.665,36 5.473,37 3.534,38 4.357,39 4.613,40 3.315,41 3.562,42 5.281,43 3.442,44 4.336,45 4.608,46 3.187,47 3.497,48 5.277,49 3.364,50 4.212,51 4.504,52 3.051,53 3.333,54 5.103,55 3.198,56 0.042,57 0.654,58 8.344,59 2.985,60 10.164,61 4.352,62 0.214,63 0.984,64 14.668,65 5.184,66 21.702,67 7.505,68 0.152,69 1.145,70 18.399,71 6.204,72 18.151,73 9.309,74 0.234,75 1.157,76 21.163,77 7.425,78 36.965,79 11.084,80 0.327,81 1.076,82 23.314,83 6.872,84 36.468,85 10.796,86 0.142,87 0.914,88 17.389,89 5.757,90 21.418,91 8.795,92 0.221,93 0.868,94 17.507,95 5.396,96 30.096,97 8.315,98 0.159,99 0.737,100 15.872,101 4.93,102 22.724,103 7.71,104 10,105 33,106 0.258,107 0.633,108 0.768,109 0.837,110 0.849,111 0.849,112 3.146,113 0.884,114 -4.14,115 -4.09,116 -3.87,119 40,121 1,124 1,125 1,139 6,140 2,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 8,169 2,170 5,172 3,173 3,175 1,178 8,180 1,181 1,182 5,187 1,189 5,191 1,192 1,193 2,195 3,196 3,197 1,198 1,200 2,201 2,204 1,205 1,206 2,207 3,209 1,210 1,212 1,215 2,218 1,221 2,229 3,234 4,236 1,237 1,239 1,241 4,243 1,246 4,251 1,254 3,256 1,260 5,265 3,268 1,270 3,273 636,274 14.792,275 14.792,276 14.792,277 14.792,278 14.792,279 12.729,280 16.229,281 8.798,282 15.136,283 11.849,284 11.849,285 11.849,286 11.849,287 11.849,288 8.801,289 19.832,290 4.211,291 12.411,292 3.864,293 1.739,294 0.975,295 0.588,296 0.519,297 0.519,298 3.828,300 1,301 1,302 1,303 473,304 2.828,307 187.196,311 96.184,314 1.545,315 14.835,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47,327 220,328 4.549,329 3.177,330 6.519,331 4.055,332 3.099,333 4.495,334 0.8,335 10.234,336 2.967,337 3.952,338 2.928,339 5.973,340 3.643,341 2.701,342 3.449,344 8.387,345 2.567,346 3.867,347 2.678,348 5.337,349 3.477,350 2.488,351 3.327,353 6.954,354 2.438,355 3.465,356 2.226,357 5.065,358 3.024,359 2.105,360 2.811,362 5.912,363 1.93,364 3.419,365 2.07,366 5.011,367 2.912,368 1.993,369 2.787,371 5.793,372 1.829,373 2.946,374 1.658,375 4.198,376 2.556,377 1.568,378 2.113,380 3.818,381 1.549,382 2.632,383 1.453,384 3.708,385 2.292,386 1.328,387 1.66,389 3.04,390 1.276,391 2.5,392 1.057,393 3.605,394 2,395 1.004,396 1.5,398 2.565,399 1,400 2.439,401 1,402 3.247,403 1.942,404 1,405 1.415,407 2.136,408 0.939,409 1.643,410 0.589,411 2.994,412 1.445,413 0.471,414 0.532,415 1.074,416 0.458,417 1.31,418 0.088,419 2.703,420 0.884,421 -0.038,422 -0.049,423 -0.094,424 -0.035,425 0.966,426 -0.297,427 2.534,428 0.469,429 -0.447,430 -0.577,431 -1.155,432 -0.407,433 0.71,434 -0.333,435 2.354,436 0.378,437 -0.601,438 -0.718,439 -1.33,440 -0.586,441 0.571,442 -0.675,443 2.045,444 0.134,445 -0.815,446 -1.042,448 -2.09,449 -0.754,450 0.5,451 -0.761,452 1.609,453 0.066,454 -0.867,455 -1.146,457 -2.347,458 -0.825,459 10.4,460 0.473,461 0.541,462 0.025,463 32.25,464 1.466,465 17.5,466 0.795,467 14.75,468 0.67,469 14.053,470 0.639,471 23.2,472 0.58,473 21.532,474 0.979,475 6.418,476 0.292,477 4.213,478 0.191,479 0.125,481 0.327,485 1.125,486 1.363,487 0.838,488 1.019,489 1.263,490 0.909,491 0.749,492 0.908,493 0.809,494 0.893,495 0.449,496 0.865,497 1.035,498 1.213,499 1.015,500 1.122,501 0.822,502 1.075,503 0.625,504 1.143,505 1.035,506 1.277,507 0.67,508 1.225,509 1.012,510 0.749,511 0.972,512 0.824,513 0.962,514 0.881,515 0.984,516 1.098,517 1.07,518 1.124,519 0.898,520 1.112,521 1.178,522 0.839,523 1.173,524 0.976,525 1.272,526 1.057,527 0.976,528 0.868,529 0.939,530 0.881,531 0.931,532 0.901,533 4.5,534 0.07,535 2.444,536 1.25,537 1.289,538 0.75,539 0.304,540 0.193,541 0.188,542 0.097,543 5216,544 13354,545 2.07,546 45,548 11,550 1,551 4,553 2,555 1.641,556 1.941,557 3.287,558 1.87,559 1,560 1,562 1,564 58.309,565 1.458,566 3.583,567 4.346,568 4.734,569 4.803,570 4.803,571 2.738,572 4.187,573 4.431,574 3.426,575 791.301,576 7.592,577 8761.25,578 1,579 1,581 1,582 212.877,583 1.395,584 4.392,585 0.188,586 0.006,587 0.074,588 0.038,589 0.048,590 0.033,591 0.014,592 0.011,593 0.012,594 0.007,595 0.43,596 0.33,597 1,598 0.595,599 101.938,600 -0.151,601 -0.142,602 0.028,603 0.007,604 -0.253,605 0.037,606 0.268,607 0.221,608 0.109,609 0.105,610 0.307,611 0.087,612 -0.083,613 -0.143,614 -0.09,615 -0.123,616 -0.046,617 -0.11,618 0.254,619 -0.166,620 -0.082,621 -0.278,622 0.214,623 -0.237,624 0.021,625 0.154,626 0.047,627 0.121,628 -0.022,629 0.094,630 -0.113,631 -0.14,632 -0.109,633 -0.125,634 -0.081,635 -0.118,636 -0.188,637 0.115,638 -0.189,639 -0.012,640 -0.272,641 -0.086,642 -0.078,643 0.019,644 0.064,645 0.1,646 -0.027,647 0.102,648 1.525,649 1.901,650 0.727,651 18.083,652 0.998,653 1.137,654 2.913,655 8.483,656 0.665,657 3.219,658 3.526,659 3.761,660 3.989,661 4.22,662 4.22,663 4.248,664 4.304,665 4.344,666 4.263,667 5.812,668 0.632,669 294.4,670 3.219,671 4.745,672 5.58,673 6.444,674 7.296,675 8.166,676 9.026,677 9.899,678 10.763,679 11.639,680 15,684 2,686 1,690 3,694 2,695 7,696 3,700 4,702 17,711 2,714 1,718 40,719 17,720 1,721 24,723 42,724 16,725 13,726 1,727 5,729 3,730 4,739 1,741 13,742 3,753 1,754 1,757 18,758 6,759 4,760 6,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,810 22,811 2,816 2,821 1,836 11.333,837 7.3,838 4.833,839 2.194,840 3.195,841 1.468,842 1.009,843 4.072,844 10.021,845 3.512,846 4.143,847 4.738,848 5.333,849 5.923,850 6.136,851 6.457,852 6.78,853 7.111,854 7.022,855 0.857,856 33,857 8.052,859 3.332,860 7.682,861 15.377,863 12.282,865 2.182,866 48,870 164.795,871 93.399,872 119.275,877 93.399,878 164.795,879 119.275,880 8.396,881 4.64,882 122.652,883 62.128,884 22.402,885 4.227,886 153.024,888 164.795,889 212.674,893 142.969,894 23.542,897 15.587,898 145.016,899 50.357,901 164.795,902 119.275,903 93.399,906 164.795,907 19.098,908 77.426,910 116.151,911 164.795,912 119.275,913 93.399,915 0.58,916 0.333,917 0.176,918 0.098,919 16,920 7,921 0.095,922 4,923 1,924 1.125,925 3.484,926 167.563,927 0.125,928 16,929 94.107,933 14.544,934 6.16,935 3.283,936 1.239,937 119.275,938 14.1,939 12.395,943 2.776,945 65.794,946 377.47,947 32.5,956 39.912,957 45.481,958 0.274,959 0.673,960 0.817,961 0.89,962 0.903,963 0.903,964 4.721,965 1.004,966 5.557,967 3.04,968 4.205,969 4.828,970 0.673,971 6.333,972 4.114,973 5.933,974 1,975 7.096,976 2.565,977 3.761,978 4.62,979 0.325,980 7.154,981 3.607,982 7.236,983 0.471,984 8.733,985 2.136,986 5.765,987 7.075,988 0.379,989 10.237,990 5.588,991 8.574,992 -0.038,993 10.428,994 1.074,995 6.111,996 7.687,997 0.268,998 11.879,999 5.873,1000 9.944,1001 -0.447,1002 12.161,1003 -0.094,1004 7.597,1005 9.622,1006 0.239,1007 14.479,1008 7.336,1009 11.336,1010 -0.601,1011 13.919,1012 -1.155,1013 8.326,1014 10.658,1015 0.188,1016 16.484,1017 8.008,1018 12.746,1019 -0.815,1020 15.696,1021 -1.33,1022 9.591,1023 12.355,1024 0.156,1025 18.908,1026 9.246,1027 3.099,1028 -0.867,1029 17.488,1030 -2.09,1031 10.513,1032 13.622,1033 0.125,1034 21.081,1035 10.115,1036 2.701,1037 10.234,1038 19.292,1039 -2.347,1040 11.683,1041 15.208,1042 0.102,1043 23.437,1044 11.251,1045 2.488,1046 8.387,1047 21.106,1048 4.495,1049 12.703,1050 16.594,1051 0.082,1052 25.688,1053 12.221,1054 2.105,1055 6.954,1056 22.928,1057 3.449,1058 13.835,1059 18.13,1060 0.066,1061 28.019,1062 13.315,1063 1.993,1064 5.912,1065 24.757,1066 3.327,1067 14.903,1068 19.576,1069 0.054,1070 30.307,1071 14.336,1072 1.568,1073 5.793,1074 26.591,1075 2.811,1076 16.023,1077 21.092,1078 0.043,1079 32.63,1080 15.415,1081 1.328,1082 3.818,1083 28.431,1084 2.787,1085 17.116,1086 22.567,1087 0.035,1088 34.935,1089 16.462,1090 5044,1091 8210,1092 16.008,1093 26.603,1094 35.743,1095 35.44,1096 36.313,1097 35.608,1098 35.513,1099 48.177,1100 1.6,1101 99.826,1102 33.905,1103 5.417,1104 5.177,1105 6.321,1106 5.131,1107 5.099,1108 7.495,1109 1.2,1110 17.128,1111 4.967,1112 9.917,1113 1.489,1114 1.477,1115 1.513,1116 1.484,1117 1.48,1118 2.007,1119 0.067,1120 4.159,1121 1.413,1122 4.055,1123 4.1,1124 4.03,1125 3.927,1126 5.324,1127 3.946,1128 3.912,1129 3.947,1130 3.837,1131 3.847,1132 4.982,1133 3.842,1134 3.603,1135 3.678,1136 3.519,1137 3.4,1138 4.821,1139 3.418,1140 3.335,1141 3.413,1142 3.216,1143 3.153,1144 4.749,1145 3.16,1146 3.112,1147 3.225,1148 3.003,1149 2.89,1150 4.276,1151 2.882,1152 3.101,1153 3.203,1154 2.907,1155 2.81,1156 4.061,1157 2.847,1158 2.854,1159 2.925,1160 2.687,1161 2.735,1162 3.826,1163 2.715,1164 2.732,1165 2.835,1166 2.557,1167 2.526,1168 3.714,1169 2.504,1170 0.19,1171 0.132,1172 0.272,1173 0.169,1174 0.129,1175 4.549,1176 0.187,1177 3.177,1178 0.033,1179 6.519,1180 0.426,1181 4.055,1182 0.124,1183 3.099,1184 4.495,1185 0.8,1186 10.234,1187 2.967,1188 1.972,1189 1.936,1190 2.068,1191 2.124,1192 1.253,1193 2.099,1194 1.913,1195 1.882,1196 2.005,1197 2.003,1198 1.087,1199 2.018,1200 1.546,1201 1.475,1202 1.759,1203 1.779,1204 0.898,1205 1.776,1206 1.292,1207 1.225,1208 1.528,1209 1.524,1210 0.629,1211 1.523,1212 1.111,1213 1.01,1214 1.431,1215 1.383,1216 0.345,1217 1.419,1218 0.996,1219 0.898,1220 1.267,1221 1.368,1222 0.218,1223 1.356,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1228 0.206,1229 1.107,1230 0.73,1231 0.644,1232 1.067,1233 0.989,1235 1.01,1236 3.892,1238 5.198,1240 6.706,1242 8.305,1244 9.954,1246 2.028,1250 11.483,1252 1.843,1257 2.134,1262 25.289,1263 58.309,1264 143.309,1265 173.858,1266 189.367,1267 192.122,1268 192.122,1269 26.886,1270 6.825,1271 93.95,1272 93.95,1273 18,1274 12.18,1275 4.17,1276 3.248,1277 34.64,1278 76,1279 74,1280 0.223,1281 159.414,1282 260.46,1283 380.731,1284 7926,1286 15.527,1287 0.706,1288 0.564,1289 15.527,1290 12.399,1291 10.631,1292 0.443,1293 0.295,1294 6.973,1295 10.257,1296 6.781,1297 5.672,1298 10.631,1299 7.071,1300 9.61,1301 0.291,1302 0.157,1303 9.61,1304 5.189,1305 7.859,1306 0.187,1307 0.086,1308 7.859,1309 3.603,1310 6.441,1311 0.122,1312 0.044,1313 6.441,1314 2.321,1315 5.157,1316 0.077,1317 0.023,1318 5.157,1319 1.571,1320 0.351,1321 66.294,1322 0.25,1323 21.893,1324 0.606,1325 114,1326 303.205,1327 124.241,1328 305.783,1329 426.94,1330 286,1331 132,1332 326.254,1333 142.186,1334 335.206,1335 484.97,1336 314,1337 5.854}
{0 CHEMBL34378,1 1.609,2 11.036,3 3.29,4 10.821,5 109.041,6 8.14,7 0.6,8 3.934,9 4.043,10 3.553,11 3.486,12 5.23,13 3.491,14 4.366,15 4.505,16 3.882,17 3.834,18 5.714,19 3.816,20 4.546,21 4.697,22 3.945,23 3.968,24 5.774,25 3.935,26 4.655,27 4.834,28 3.873,29 3.946,30 5.94,31 3.894,32 4.633,33 4.839,34 3.784,35 3.896,36 5.824,37 3.827,38 4.582,39 4.801,40 3.793,41 3.853,42 5.726,43 3.79,44 4.512,45 4.698,46 3.777,47 3.828,48 5.734,49 3.774,50 4.536,51 4.749,52 3.612,53 3.725,54 5.754,55 3.656,56 0.105,57 0.659,58 7.902,59 3.739,60 18.956,61 4.275,62 0.34,63 0.984,64 13.873,65 6.331,66 48.575,67 7.595,68 0.207,69 1.163,70 16.512,71 7.392,72 32.14,73 8.992,74 0.385,75 1.238,76 20.54,77 8.199,78 59.311,79 9.904,80 0.31,81 1.185,82 21.345,83 8.446,84 60.139,85 10.866,86 0.419,87 1.138,88 21.031,89 7.914,90 55.032,91 10.613,92 0.207,93 1.096,94 17.5,95 7.291,96 29.6,97 9.366,98 0.391,99 1.079,100 19.741,101 6.954,102 61.21,103 8.869,104 30,105 41,106 0.272,107 0.665,108 0.786,109 0.881,110 0.896,111 0.896,112 3.374,113 0.836,114 -4.59,115 -4.51,116 -4.25,119 45.7,121 1,124 1,138 2,139 7,140 5,141 1,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 15,167 1,169 1,170 5,172 3,173 4,175 2,178 18,179 2,180 1,182 7,187 3,189 17,190 3,191 1,193 7,195 1,196 1,197 1,198 5,200 2,201 13,202 2,204 2,205 1,207 5,212 4,215 12,216 1,218 2,220 2,221 6,223 1,224 1,226 4,229 11,230 2,231 3,234 7,239 5,241 9,242 2,243 3,246 6,248 1,249 1,251 5,254 6,255 1,256 3,260 5,261 1,265 4,268 3,269 1,270 3,273 1234,274 18.731,275 18.731,276 18.731,277 18.731,278 18.731,279 16.099,280 21.264,281 11.025,282 19.089,283 14.721,284 14.721,285 14.721,286 14.721,287 14.721,288 10.727,289 24.322,290 5.125,291 15.202,292 3.914,293 1.593,294 0.878,295 0.321,296 0.234,297 0.234,298 4.055,300 1,301 1,302 1,303 648,304 3.317,307 292.791,314 1.753,315 31.677,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 61,327 309,328 4.419,329 3.624,330 6.404,331 3.976,332 2.989,333 4.053,334 1.437,335 9.742,336 2.964,337 4.318,338 3.273,339 6.251,340 3.942,341 2.952,342 3.952,343 0.86,344 9.443,345 2.903,346 4.171,347 3.004,348 5.984,349 3.72,350 2.763,351 3.819,352 0.68,353 8.478,354 2.647,355 3.863,356 2.899,357 5.263,358 3.258,359 2.277,360 3.111,362 6.664,363 2.228,364 3.456,365 2.654,366 4.963,367 3.027,368 2.102,369 2.764,371 5.822,372 1.95,373 3.369,374 2.324,375 4.888,376 2.949,377 1.949,378 2.604,380 5.254,381 1.921,382 3.124,383 1.94,384 4.42,385 2.544,386 1.596,387 2.207,389 4.273,390 1.509,391 2.928,392 1.699,393 4.074,394 2.49,395 1.491,396 2.074,398 3.497,399 1.489,400 2.773,401 1.496,402 3.751,403 2.294,404 1.345,405 1.889,407 3.214,408 1.271,409 2.706,410 1.317,411 3.466,412 2.005,413 1,414 1.476,415 2.305,416 0.994,417 2.531,418 1.149,419 3.244,420 1.767,421 0.81,422 1.297,423 1.743,424 0.768,425 1.859,426 0.747,427 3.1,428 1.475,429 0.526,430 0.7,431 1.132,432 0.495,433 1.545,434 0.615,435 2.771,436 1.234,437 0.314,438 0.372,439 0.624,440 0.288,441 1.042,442 0.457,443 2.445,444 0.714,445 -0.243,446 -0.289,448 -0.478,449 -0.228,450 0.962,451 0.245,452 2.359,453 0.588,454 -0.388,455 -0.482,457 -0.985,458 -0.379,459 13.1,460 0.468,461 0.698,462 0.025,463 40.5,464 1.446,465 23,466 0.821,467 17.5,468 0.625,469 19.02,470 0.679,471 28.9,472 0.628,473 32.043,474 1.144,475 8.413,476 0.3,477 5.061,478 0.181,479 0.15,481 0.344,485 0.947,486 1.025,487 0.773,488 0.868,489 0.934,490 0.788,491 0.678,492 0.759,493 0.739,494 0.833,495 0.448,496 0.814,497 0.872,498 1.132,499 0.95,500 1.104,501 0.772,502 1.05,503 1.128,504 0.965,505 1.144,506 1.092,507 0.984,508 1.116,509 0.907,510 1.021,511 0.989,512 1.067,513 0.949,514 1.049,515 0.674,516 0.852,517 0.809,518 0.846,519 0.645,520 0.854,521 0.792,522 1.259,523 0.947,524 1.191,525 0.623,526 1.118,527 1.114,528 0.967,529 1.18,530 1.042,531 1.181,532 1.096,533 6,534 0.169,535 3.333,536 1.75,537 1.649,538 0.882,539 0.57,540 0.45,541 0.337,542 0.248,543 9556,544 30984,545 2.013,546 39.1,547 2,548 10,550 1,551 5,555 1.711,556 1.867,557 3.431,558 2.467,559 1,560 1,564 74.032,565 1.609,566 3.931,567 4.645,568 5.203,569 5.29,570 5.29,571 2.91,572 4.012,573 4.781,574 3.627,575 1371.19,576 8.318,577 18524,579 1,581 1,582 254.084,583 1.47,584 4.727,585 0.2,586 0.007,587 0.081,588 0.041,589 0.043,590 0.025,591 0.016,592 0.013,593 0.012,594 0.01,595 0.449,597 1,598 0.887,599 141.427,600 -0.153,601 0.089,602 -0.015,603 0.103,604 -0.202,605 0.086,606 0.184,607 0.286,608 0.101,609 0.16,610 0.234,611 0.114,612 -0.101,613 -0.098,614 -0.108,615 -0.115,616 -0.069,617 -0.109,618 -0.141,619 0.032,620 -0.213,621 -0.115,622 -0.06,623 -0.166,624 -0.07,625 -0.073,626 -0.023,627 -0.061,628 -0.055,629 -0.036,630 0.132,631 0.111,632 0.175,633 0.153,634 0.038,635 0.167,636 -0.035,637 -0.269,638 -0.034,639 -0.198,640 0.041,641 -0.133,642 -0.132,643 0.028,644 -0.186,645 -0.084,646 -0.166,647 -0.125,648 2.681,649 4.313,650 0.643,651 26.219,652 1.012,653 1.12,654 3.363,655 11.31,656 0.689,657 3.434,658 3.738,659 3.97,660 4.174,661 4.369,662 4.357,663 4.394,664 4.466,665 4.615,666 4.654,667 6.775,668 0.672,669 374.43,670 3.434,671 4.963,672 5.796,673 6.658,674 7.507,675 8.371,676 9.225,677 10.089,678 10.945,679 11.809,680 8.7,684 2,690 2,695 8,696 2,700 8,702 18,709 1,711 2,716 1,718 46,719 20,720 2,721 30,723 48,724 21,725 16,726 5,727 7,728 1,729 3,730 3,739 1,740 2,741 17,742 2,744 1,748 1,751 1,754 1,757 18,758 7,759 5,760 7,764 4,769 1,770 3,776 1,781 3,788 2,800 1,802 3,806 1,810 28,811 2,815 1,816 1,818 1,823 1,827 2,829 6.5,831 1,832 1,834 1,836 15,837 8.517,838 6.278,839 2.399,840 4.426,841 1.612,842 0.969,843 5.904,844 11.659,845 3.761,846 4.363,847 4.951,848 5.502,849 6.068,850 6.287,851 6.687,852 7.08,853 7.589,854 7.977,855 1,856 43,857 10.248,859 4.285,860 8,861 18.892,863 14.804,865 2.5,866 70,869 1,870 153.024,871 149.168,872 99.365,874 78.828,877 149.168,878 231.852,879 99.365,880 10.883,881 2.535,882 132.128,883 114.08,884 41.219,885 38.288,886 141.253,888 153.024,889 248.534,890 78.828,893 153.024,894 78.828,897 13.481,898 167.42,899 67.632,901 153.024,902 178.194,903 149.168,906 153.024,907 28.843,908 86.264,909 34.061,910 178.194,911 153.024,912 178.194,913 149.168,915 0.578,916 0.338,917 0.178,918 0.095,919 18,920 9,921 0.083,922 4,924 1,925 3.921,926 232.601,928 18,929 134.606,933 19.374,934 8.533,935 4.675,937 178.194,938 13.671,939 7.948,943 3.985,945 108.478,946 480.386,947 42,951 11.313,954 -1.015,956 46.574,957 51.528,958 0.291,959 0.712,960 0.841,961 0.942,962 0.958,963 0.958,964 4.987,965 1.491,966 5.778,967 4.273,968 4.419,969 5.05,970 2.019,971 6.558,972 4.363,973 6.22,974 1.345,975 7.324,976 3.497,977 4.007,978 4.796,980 7.416,981 3.928,982 7.534,983 1,984 8.969,985 3.214,986 5.989,987 7.259,988 2.402,989 10.466,990 5.894,991 8.882,992 0.81,993 10.669,994 2.305,995 6.365,996 7.778,998 12.123,999 6.248,1000 10.255,1001 0.526,1002 12.406,1003 1.743,1004 7.827,1005 9.715,1006 2.975,1007 14.683,1008 7.7,1009 11.647,1010 0.314,1011 14.166,1012 1.132,1013 8.569,1014 10.617,1016 16.672,1017 8.424,1018 13.055,1019 -0.243,1020 15.943,1021 0.624,1022 9.814,1023 12.303,1024 3.637,1025 19.049,1026 9.659,1027 2.989,1028 -0.388,1029 17.733,1030 -0.478,1031 10.732,1032 13.412,1034 21.185,1035 10.562,1036 2.952,1037 9.742,1038 19.533,1039 -0.985,1040 11.881,1041 14.963,1042 4.336,1043 23.489,1044 11.702,1045 2.763,1046 9.443,1047 21.341,1048 4.053,1049 12.884,1050 16.189,1052 25.69,1053 12.691,1054 2.277,1055 8.478,1056 23.155,1057 3.952,1058 13.993,1059 17.665,1060 5.05,1061 27.965,1062 13.789,1063 2.102,1064 6.664,1065 24.973,1066 3.819,1067 15.035,1068 18.958,1070 30.196,1071 14.82,1072 1.949,1073 5.822,1074 26.796,1075 3.111,1076 16.127,1077 20.392,1078 5.77,1079 32.461,1080 15.901,1081 1.596,1082 5.254,1083 28.621,1084 2.764,1085 17.189,1086 21.723,1088 34.706,1089 16.952,1090 9402,1091 17053,1092 19.592,1093 31.716,1094 45.729,1095 45.583,1096 46.088,1097 44.23,1098 44.225,1099 60.633,1100 5.953,1101 124.382,1102 42.857,1103 5.198,1104 5.624,1105 6.088,1106 5.045,1107 4.989,1108 7.053,1109 2.873,1110 16.205,1111 4.964,1112 15.689,1113 1.524,1114 1.519,1115 1.536,1116 1.474,1117 1.474,1118 2.021,1119 0.198,1120 4.146,1121 1.429,1122 4.015,1123 4.038,1124 3.973,1125 3.958,1126 7.475,1127 3.958,1128 3.908,1129 3.935,1130 3.864,1131 3.837,1132 6.351,1133 3.838,1134 3.801,1135 3.842,1136 3.761,1137 3.656,1138 5.291,1139 3.677,1140 3.327,1141 3.363,1142 3.265,1143 3.212,1144 4.98,1145 3.219,1146 3.279,1147 3.301,1148 3.218,1149 3.02,1150 4.942,1151 3.064,1152 3.217,1153 3.267,1154 3.075,1155 2.987,1156 4.757,1157 2.997,1158 3.088,1159 3.161,1160 2.936,1161 2.899,1162 4.513,1163 2.896,1164 2.995,1165 3.102,1166 2.838,1167 2.695,1168 4.447,1169 2.714,1170 0.147,1171 0.121,1172 0.213,1173 0.133,1174 0.1,1175 4.419,1176 0.135,1177 3.624,1178 0.048,1179 6.404,1180 0.325,1181 3.976,1182 0.099,1183 2.989,1184 4.053,1185 1.437,1186 9.742,1187 2.964,1188 1.973,1189 1.957,1190 2.054,1191 2.055,1192 1.216,1193 2.052,1194 1.893,1195 1.872,1196 1.99,1197 1.988,1198 1.084,1199 1.987,1200 1.735,1201 1.693,1202 1.822,1203 1.903,1204 0.877,1205 1.885,1206 1.286,1207 1.258,1208 1.574,1209 1.523,1210 0.575,1211 1.539,1212 1.17,1213 1.12,1214 1.415,1215 1.436,1216 0.409,1217 1.437,1218 1.124,1219 1.09,1220 1.286,1221 1.429,1222 0.25,1223 1.361,1224 1.075,1225 1.017,1226 1.242,1227 1.307,1228 0.226,1229 1.305,1230 0.908,1231 0.797,1232 1.233,1233 1.212,1234 0.119,1235 1.231,1236 4.111,1238 5.416,1240 6.917,1242 8.506,1244 10.139,1246 1.579,1250 11.465,1251 9.268,1252 0.441,1254 5.417,1261 5.927,1262 30.918,1263 74.032,1264 180.823,1265 213.677,1266 239.329,1267 243.329,1268 243.329,1269 53.665,1270 7.233,1271 124.35,1272 124.35,1273 18,1274 12.358,1275 4.392,1276 3.7,1277 49.646,1278 115,1279 106,1280 0.211,1281 194.067,1282 340.77,1283 465.282,1284 13683,1286 20.096,1287 0.718,1288 0.541,1289 20.096,1290 15.139,1291 13.474,1292 0.449,1293 0.279,1294 8.236,1295 12.972,1296 8.016,1297 6.701,1298 13.474,1299 8.358,1300 12.029,1301 0.293,1302 0.145,1303 12.029,1304 5.943,1305 9.757,1306 0.188,1307 0.078,1308 9.757,1309 4.077,1310 7.902,1311 0.123,1312 0.042,1313 7.902,1314 2.688,1315 6.176,1316 0.079,1317 0.022,1318 6.176,1319 1.741,1320 0.333,1321 84.551,1322 0.226,1323 26.828,1324 0.573,1325 142,1326 459.535,1327 155.357,1328 450.75,1329 606.94,1330 418,1331 164,1332 439.184,1333 175.641,1334 451.331,1335 649.13,1336 421,1337 4.602}
{0 CHEMBL34641,1 1.619,2 12.667,3 3.216,4 10.341,5 116.736,6 7.817,7 0.563,8 4.053,9 4.162,10 3.636,11 3.557,12 5.302,13 3.564,14 4.508,15 4.652,16 3.956,17 3.899,18 5.803,19 3.884,20 4.694,21 4.854,22 4.023,23 4.028,24 5.861,25 3.997,26 4.824,27 5.009,28 3.966,29 4.037,30 6.046,31 3.977,32 4.833,33 5.05,34 3.854,35 4.024,36 5.9,37 3.932,38 4.831,39 5.073,40 3.822,41 3.94,42 5.91,43 3.855,44 4.653,45 4.87,46 3.749,47 3.852,48 5.738,49 3.778,50 4.646,51 4.881,52 3.643,53 3.798,54 5.743,55 3.713,56 0.119,57 0.741,58 9.864,59 4.454,60 18.977,61 5.352,62 0.409,63 1.099,64 17.554,65 7.443,66 52.397,67 9.075,68 0.292,69 1.296,70 21.34,71 8.665,72 35.483,73 10.923,74 0.681,75 1.385,76 26.542,77 9.702,78 73.991,79 12.362,80 0.406,81 1.383,82 27.538,83 10.356,84 60.662,85 13.923,86 0.654,87 1.321,88 29.78,89 9.886,90 78.975,91 13.654,92 0.347,93 1.184,94 22.966,95 8.317,96 43.757,97 11.328,98 0.591,99 1.161,100 23.852,101 7.529,102 61.767,103 10.458,104 30,105 43,106 0.269,107 0.651,108 0.811,109 0.887,110 0.906,111 0.906,112 3.44,113 0.856,114 -4.06,115 -4.01,116 -3.8,119 42.3,121 1,124 1,125 1,134 2,139 7,140 4,141 2,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 12,167 1,169 1,170 8,172 3,173 4,175 2,178 13,179 1,180 1,182 9,183 1,187 2,189 11,190 2,191 1,192 1,193 8,195 1,196 2,197 1,198 4,200 2,201 8,202 1,204 2,205 1,207 6,212 3,215 7,216 1,218 2,220 2,221 8,223 1,224 1,226 4,229 6,230 1,231 3,234 6,239 4,241 7,242 1,243 3,245 1,246 4,248 1,249 1,251 4,254 9,255 2,256 3,260 2,265 4,268 8,269 2,270 2,273 1588,274 20.146,275 20.146,276 20.146,277 20.146,278 20.146,279 17.515,280 23.207,281 12.012,282 20.633,283 15.721,284 15.721,285 15.721,286 15.721,287 15.721,288 11.762,289 28.067,290 5.599,291 16.41,292 4.081,293 1.779,294 0.816,295 0.361,296 0.245,297 0.245,298 4.122,301 1,302 1,303 796,304 3.606,307 329.206,314 2.044,315 33.881,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 66,327 380,328 4.335,329 3.618,330 6.403,331 3.956,332 2.98,333 3.983,334 1.437,335 9.738,336 2.911,337 4.316,338 3.247,339 6.251,340 3.937,341 2.958,342 3.928,343 1.151,344 9.444,345 2.89,346 4.166,347 2.924,348 5.984,349 3.722,350 2.765,351 3.821,352 0.86,353 8.479,354 2.65,355 3.648,356 2.893,357 5.253,358 3.26,359 2.282,360 2.99,361 0.68,362 6.648,363 2.226,364 3.446,365 2.404,366 4.963,367 3.025,368 2.101,369 2.757,371 5.821,372 1.935,373 3.376,374 2.323,375 4.912,376 2.968,377 2.006,378 2.598,380 5.327,381 1.909,382 2.975,383 2.055,384 4.42,385 2.553,386 1.599,387 2.131,389 4.275,390 1.518,391 2.928,392 1.914,393 4.075,394 2.543,395 1.584,396 2.074,398 3.501,399 1.509,400 2.786,401 1.527,402 3.789,403 2.299,404 1.349,405 1.889,407 3.337,408 1.279,409 2.771,410 1.472,411 3.551,412 2.279,413 1.299,414 1.78,415 2.825,416 1.266,417 2.532,418 1.313,419 3.466,420 2.005,421 1,422 1.476,423 2.304,424 0.994,425 1.942,426 1.091,427 3.132,428 1.631,429 0.721,430 0.843,431 1.439,432 0.648,433 1.772,434 0.737,435 2.993,436 1.361,437 0.426,438 0.546,439 0.981,440 0.394,441 1.537,442 0.615,443 2.723,444 1.219,445 0.306,446 0.363,448 0.594,449 0.278,450 1.032,451 0.448,452 2.394,453 0.724,454 -0.219,455 -0.256,457 -0.436,458 -0.204,459 13.933,460 0.464,461 0.698,462 0.023,463 42,464 1.4,465 23,466 0.767,467 19,468 0.633,469 21.322,470 0.711,471 32.267,472 0.621,473 33.739,474 1.125,475 8.839,476 0.295,477 5.634,478 0.188,479 0.141,481 0.323,485 0.944,486 1.143,487 0.795,488 1.001,489 0.933,490 0.878,491 0.854,492 0.873,493 0.819,494 0.943,495 0.5,496 0.897,497 0.991,498 1.205,499 0.974,500 1.174,501 0.772,502 1.086,503 1.039,504 0.985,505 1.142,506 1.098,507 0.898,508 1.136,509 0.864,510 1.106,511 1.034,512 1.167,513 0.912,514 1.145,515 0.923,516 0.849,517 0.913,518 0.854,519 0.907,520 0.884,521 0.872,522 1.184,523 0.959,524 1.098,525 0.689,526 1.06,527 0.947,528 0.819,529 1.105,530 0.848,531 0.888,532 0.962,533 6,534 0.165,535 3.333,536 1.875,537 1.649,538 0.826,539 0.568,540 0.41,541 0.288,542 0.194,543 12458,544 39581,545 2.012,546 42.3,547 2,548 14,550 1,551 5,555 1.726,556 1.875,557 3.604,558 2.419,560 1,564 84.208,565 1.619,566 3.921,567 4.885,568 5.34,569 5.455,570 5.455,571 3.086,572 4.574,573 4.881,574 3.834,575 1667.85,576 8.497,577 24591.6,579 1,581 1,582 296.423,583 1.436,584 4.831,585 0.188,586 0.007,587 0.078,588 0.042,589 0.041,590 0.023,591 0.016,592 0.012,593 0.01,594 0.007,595 0.423,596 0.17,597 1,598 0.855,599 157.332,600 -0.131,601 0.026,602 0.002,603 0.042,604 -0.186,605 0.057,606 0.098,607 0.202,608 0.059,609 0.088,610 0.203,611 0.061,612 -0.112,613 -0.15,614 -0.089,615 -0.15,616 -0.054,617 -0.118,618 0.008,619 0.017,620 -0.188,621 -0.106,622 0.017,623 -0.174,624 -0.061,625 -0.15,626 -0.078,627 -0.152,628 -0.074,629 -0.124,630 0.026,631 0.07,632 0.11,633 0.129,634 -0.012,635 0.132,636 -0.062,637 -0.209,638 -0.002,639 -0.097,640 -0.005,641 -0.051,642 -0.047,643 0.19,644 -0.114,645 0.1,646 -0.115,647 0.011,648 2.694,649 4.232,650 0.6,651 31.796,652 1.013,653 1.126,654 2.833,655 8.028,656 0.667,657 3.497,658 3.784,659 4.007,660 4.205,661 4.382,662 4.344,663 4.344,664 4.382,665 4.477,666 4.489,667 7.739,668 0.648,669 406.48,670 3.497,671 5.017,672 5.844,673 6.698,674 7.541,675 8.398,676 9.245,677 10.103,678 10.953,679 11.81,680 7.7,684 2,690 2,695 8,696 2,700 8,702 18,709 1,711 2,716 2,718 52,719 20,720 2,721 32,723 54,724 22,725 16,726 5,727 7,728 3,729 3,730 3,739 1,741 19,742 3,744 2,748 1,749 2,751 1,754 1,757 22,758 8,759 5,760 8,764 4,769 1,770 4,776 1,781 3,795 2,800 1,802 3,806 1,810 30,811 2,815 1,816 2,818 2,829 7.7,831 1,832 1,834 2,836 16,837 9.35,838 6.778,839 2.697,840 3.973,841 1.542,842 0.954,843 7.143,844 11.299,845 3.784,846 4.363,847 4.9,848 5.41,849 5.915,850 6.005,851 6.244,852 6.515,853 6.88,854 7.198,855 1,856 45,857 11.003,859 4.563,860 7.967,861 20.392,863 15.9,865 2.467,866 74,869 1,870 200.109,871 140.71,872 99.365,874 89.828,877 140.71,878 289.937,879 99.365,880 10.883,881 7.127,882 151.081,883 114.08,884 54.276,885 4.227,886 188.338,888 200.109,889 240.075,890 89.828,893 200.109,894 89.828,897 18.073,898 169.478,899 52.524,901 200.109,902 189.193,903 140.71,906 200.109,907 35.493,908 105.217,910 189.193,911 200.109,912 189.193,913 140.71,915 0.573,916 0.334,917 0.177,918 0.094,919 18,920 9,921 0.148,922 8,924 1,925 4.173,926 248.41,928 18,929 147.207,933 21.462,934 9.985,935 5.65,937 189.193,938 13.865,939 7.984,943 4.213,945 108.478,946 530.012,947 43,951 11.232,952 3.695,954 -1.028,956 52.669,957 58.568,958 0.284,959 0.688,960 0.857,961 0.937,962 0.957,963 0.957,964 4.994,965 1.584,966 5.814,967 4.275,968 4.466,969 5.05,970 2.321,971 6.581,972 4.389,973 6.198,974 1.349,975 7.351,976 3.501,977 4.007,978 4.796,980 7.416,981 3.904,982 7.493,983 1.299,984 8.987,985 3.337,986 6.019,987 7.216,988 2.678,989 10.471,990 5.884,991 8.824,992 1,993 10.681,994 2.825,995 6.365,996 7.75,998 12.123,999 6.204,1000 10.183,1001 0.721,1002 12.413,1003 2.304,1004 7.843,1005 9.646,1006 3.188,1007 14.682,1008 7.66,1009 11.563,1010 0.426,1011 14.171,1012 1.439,1013 8.569,1014 10.561,1016 16.672,1017 8.36,1018 12.959,1019 0.306,1020 15.946,1021 0.981,1022 9.821,1023 12.215,1024 3.787,1025 19.048,1026 9.592,1027 2.98,1028 -0.219,1029 17.735,1030 0.594,1031 10.731,1032 13.331,1034 21.184,1035 10.476,1036 2.958,1037 9.738,1038 19.534,1039 -0.436,1040 11.884,1041 14.86,1042 4.437,1043 23.487,1044 11.609,1045 2.765,1046 9.444,1047 21.341,1048 3.983,1049 12.882,1050 16.085,1052 25.688,1053 12.582,1054 2.282,1055 8.479,1056 23.155,1057 3.928,1058 13.991,1059 17.544,1060 5.117,1061 27.963,1062 13.671,1063 2.101,1064 6.648,1065 24.973,1066 3.821,1067 15.032,1068 18.831,1070 30.194,1071 14.686,1072 2.006,1073 5.821,1074 26.795,1075 2.99,1076 16.123,1077 20.252,1078 5.813,1079 32.457,1080 15.756,1081 1.599,1082 5.327,1083 28.621,1084 2.757,1085 17.184,1086 21.573,1088 34.703,1089 16.793,1090 12192,1091 21868,1092 20.978,1093 34.693,1094 47.435,1095 48.218,1096 48.58,1097 46.741,1098 46.754,1099 62.353,1100 8.255,1101 129.424,1102 44.815,1103 5.135,1104 5.618,1105 6.108,1106 5.025,1107 4.98,1108 6.983,1109 2.873,1110 16.193,1111 4.911,1112 16.682,1113 1.482,1114 1.507,1115 1.518,1116 1.461,1117 1.461,1118 1.949,1119 0.258,1120 4.044,1121 1.4,1122 4.007,1123 4.034,1124 3.957,1125 3.932,1126 7.475,1127 3.933,1128 3.917,1129 3.934,1130 3.871,1131 3.839,1132 6.351,1133 3.842,1134 3.817,1135 3.864,1136 3.777,1137 3.668,1138 5.291,1139 3.689,1140 3.521,1141 3.561,1142 3.415,1143 3.386,1144 4.979,1145 3.386,1146 3.279,1147 3.306,1148 3.225,1149 3.024,1150 4.874,1151 3.066,1152 3.233,1153 3.277,1154 3.079,1155 3,1156 4.804,1157 3.01,1158 3.197,1159 3.267,1160 3.05,1161 2.951,1162 4.49,1163 2.961,1164 3.004,1165 3.126,1166 2.848,1167 2.762,1168 4.446,1169 2.76,1170 0.135,1171 0.113,1172 0.2,1173 0.124,1174 0.093,1175 4.335,1176 0.124,1177 3.618,1178 0.045,1179 6.403,1180 0.304,1181 3.956,1182 0.091,1183 2.98,1184 3.983,1185 1.437,1186 9.738,1187 2.911,1188 1.961,1189 1.94,1190 2.057,1191 2.057,1192 1.233,1193 2.055,1194 1.89,1195 1.874,1196 1.99,1197 1.994,1198 1.074,1199 1.99,1200 1.752,1201 1.708,1202 1.849,1203 1.926,1204 0.954,1205 1.907,1206 1.498,1207 1.457,1208 1.695,1209 1.678,1210 0.79,1211 1.686,1212 1.181,1213 1.122,1214 1.558,1215 1.494,1216 0.573,1217 1.515,1218 1.155,1219 1.104,1220 1.398,1221 1.429,1222 0.412,1223 1.419,1224 1.12,1225 1.082,1226 1.251,1227 1.419,1228 0.262,1229 1.36,1230 0.913,1231 0.861,1232 1.235,1233 1.294,1234 0.227,1235 1.295,1236 4.174,1238 5.468,1240 6.956,1242 8.534,1244 10.158,1246 1.602,1250 11.498,1251 9.201,1252 0.712,1254 11.025,1262 33.686,1263 84.208,1264 203.901,1265 254.016,1266 277.668,1267 283.668,1268 283.668,1269 59.934,1270 7.326,1271 133.58,1272 133.58,1273 18,1274 12.364,1275 4.392,1276 3.585,1277 55.517,1278 140,1279 122,1280 0.189,1281 210.583,1282 369.5,1283 505.581,1284 16450,1286 21.51,1287 0.717,1288 0.547,1289 21.51,1290 16.409,1291 14.474,1292 0.452,1293 0.285,1294 8.976,1295 13.839,1296 8.755,1297 7.307,1298 14.474,1299 9.131,1300 12.736,1301 0.296,1302 0.149,1303 12.736,1304 6.401,1305 10.249,1306 0.19,1307 0.081,1308 10.249,1309 4.365,1310 8.291,1311 0.126,1312 0.044,1313 8.291,1314 2.907,1315 6.426,1316 0.081,1317 0.024,1318 6.426,1319 1.885,1320 0.305,1321 91.459,1322 0.218,1323 28.854,1324 0.495,1325 150,1326 497.271,1327 166.9,1328 477.078,1329 639.86,1330 444,1331 172,1332 459.638,1333 187.296,1334 467.306,1335 673.97,1336 436,1337 5.194}
{0 CHEMBL34775,1 1.574,2 8.545,3 3.612,4 13.043,5 89.438,6 8.258,7 0.708,8 3.743,9 3.875,10 3.391,11 3.324,12 4.923,13 3.3,14 4.218,15 4.396,16 3.795,17 3.716,18 5.38,19 3.669,20 4.403,21 4.562,22 3.873,23 3.878,24 5.509,25 3.814,26 4.567,27 4.776,28 3.809,29 3.888,30 5.672,31 3.779,32 4.644,33 4.92,34 3.629,35 3.802,36 5.618,37 3.671,38 4.395,39 4.633,40 3.516,41 3.662,42 5.405,43 3.531,44 4.3,45 4.549,46 3.473,47 3.526,48 5.317,49 3.391,50 4.159,51 4.435,52 3.244,53 3.279,54 5.173,55 3.142,56 0.047,57 0.594,58 6.786,59 2.962,60 10.303,61 3.914,62 0.176,63 0.906,64 13.08,65 5.517,66 21.051,67 7.447,68 0.111,69 1.069,70 16.61,71 6.31,72 16.053,73 8.359,74 0.216,75 1.196,76 20.231,77 7.949,78 33.537,79 10.907,80 0.35,81 1.164,82 27.525,83 7.913,84 48.289,85 11.207,86 0.208,87 0.914,88 21.449,89 6.706,90 30.945,91 9.185,92 0.195,93 0.811,94 19.083,95 6.069,96 28.255,97 8.488,98 0.19,99 0.67,100 19.637,101 5.275,102 28.36,103 7.387,104 26,105 35,106 0.281,107 0.648,108 0.786,109 0.836,110 0.864,111 0.864,112 3.147,113 0.907,114 -5.16,115 -5.05,116 -4.73,119 42.1,120 2,121 1,139 3,140 5,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 10,169 2,170 4,172 3,173 3,175 1,178 15,180 1,182 4,187 1,189 13,191 1,192 1,193 6,195 3,196 3,197 1,198 3,200 2,201 9,204 3,205 1,207 4,212 2,215 9,218 2,221 4,226 3,229 6,231 3,234 6,239 3,241 4,243 3,246 4,251 3,256 3,260 4,265 4,270 4,273 584,274 14.378,275 14.378,276 14.378,277 14.378,278 14.378,279 12.14,280 16.917,281 8.202,282 14.748,283 11.806,284 11.806,285 11.806,286 11.806,287 11.806,288 8.524,289 21.68,290 3.892,291 12.463,292 3.674,293 1.619,294 0.849,295 0.566,296 0.408,297 0.408,298 3.822,299 1,300 1,301 1,302 1,303 400,304 2.345,307 171.176,311 89.431,314 1.405,315 18.359,316 1,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 46.833,327 188,328 4.657,329 3.347,330 6.837,331 4.193,332 3.219,333 4.617,334 0.68,335 11.244,336 3.143,337 4.246,338 3.128,339 6.116,340 3.854,341 2.872,342 3.893,344 8.947,345 2.819,346 3.88,347 2.777,348 5.747,349 3.452,350 2.498,351 3.393,353 7.668,354 2.385,355 3.465,356 2.57,357 5.096,358 3.008,359 2.107,360 2.861,362 5.925,363 1.912,364 3.443,365 2.189,366 5.01,367 2.943,368 2.026,369 2.781,371 5.803,372 1.822,373 3.354,374 2.05,375 4.915,376 2.889,377 1.963,378 2.665,380 5.618,381 1.734,382 2.849,383 1.755,384 4.328,385 2.47,386 1.48,387 1.98,389 3.937,390 1.464,391 2.689,392 1.45,393 4.096,394 2.252,395 1.293,396 1.759,398 3.363,399 1.237,400 1.754,401 0.74,402 3.191,403 1.429,404 0.464,405 0.578,407 1.144,408 0.443,409 1.406,410 0.582,411 2.825,412 1.033,413 0.113,414 0.139,415 0.254,416 0.094,417 1.196,418 0.119,419 2.736,420 0.838,421 -0.111,422 -0.137,423 -0.289,424 -0.104,425 1.008,426 -0.002,427 2.528,428 0.556,429 -0.358,430 -0.465,431 -0.982,432 -0.301,433 0.795,434 -0.295,435 2.367,436 0.391,437 -0.525,438 -0.635,439 -1.302,440 -0.453,441 0.479,442 -0.472,443 2.114,444 0.124,445 -0.805,446 -1.005,448 -2.076,449 -0.704,450 0.284,451 -0.691,452 2,453 -0.127,454 -1,455 -1.209,457 -2.442,458 -0.83,459 10.714,460 0.487,461 0.72,462 0.033,463 31.25,464 1.42,465 17,466 0.773,467 14.25,468 0.648,469 16.862,470 0.766,471 22.886,472 0.602,473 20.915,474 0.951,475 6.071,476 0.276,477 4.381,478 0.199,479 0.235,481 0.42,485 0.929,486 1.159,487 0.636,488 0.822,489 1.147,490 0.801,491 0.431,492 0.78,493 0.545,494 0.739,495 0.38,496 0.728,497 1.027,498 1.273,499 1.014,500 1.145,501 0.925,502 1.099,503 0.611,504 1.188,505 0.889,506 1.256,507 0.615,508 1.255,509 1.23,510 0.801,511 0.978,512 0.81,513 1.188,514 0.899,515 1.138,516 0.995,517 1.189,518 1.087,519 1.111,520 1.096,521 0.901,522 1.065,523 0.976,524 1.068,525 0.919,526 1.062,527 1.236,528 1.042,529 1.194,530 0.986,531 1.162,532 0.921,533 5.5,534 0.054,535 2.889,536 2.188,537 1.862,538 0.639,539 0.507,540 0.326,541 0.214,542 0.124,543 4560,544 13786,545 2.017,546 42.1,547 8,548 3,550 1,551 4,555 1.647,556 1.833,557 3.079,558 1.87,560 1,562 1,564 59.812,565 1.574,566 3.629,567 4.399,568 4.682,569 4.84,570 4.84,571 2.556,572 4.061,573 4.434,574 3.217,575 743.085,576 7.625,577 7929.7,578 1,579 1,580 1,581 1,582 199.421,583 1.544,584 4.36,585 0.229,586 0.011,587 0.083,588 0.059,589 0.058,590 0.025,591 0.022,592 0.016,593 0.013,594 0.011,595 0.527,596 0.17,597 1,598 0.688,599 99.688,600 -0.155,601 0.021,602 -0.004,603 0.089,604 -0.277,605 0.076,606 0.336,607 0.303,608 0.193,609 0.217,610 0.327,611 0.214,612 -0.169,613 -0.188,614 -0.168,615 -0.185,616 -0.158,617 -0.176,618 0.178,619 -0.179,620 -0.101,621 -0.302,622 0.185,623 -0.297,624 -0.225,625 0.142,626 -0.043,627 0.139,628 -0.186,629 0.08,630 -0.179,631 -0.055,632 -0.147,633 -0.085,634 -0.172,635 -0.101,636 0.03,637 -0.147,638 0.038,639 -0.069,640 -0.002,641 -0.055,642 -0.089,643 -0.174,644 0.036,645 0.031,646 -0.028,647 0.101,648 1.532,649 1.982,650 0.727,651 15.322,652 1.004,653 1.13,654 3.928,655 15.427,656 0.696,657 3.219,658 3.584,659 3.85,660 4.127,661 4.357,662 4.382,663 4.407,664 4.533,665 4.635,666 4.575,667 5.149,668 0.66,669 313.82,670 3.219,671 4.779,672 5.638,673 6.535,674 7.412,675 8.31,676 9.193,677 10.093,678 10.979,679 11.879,680 13.2,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,717 1,718 38,719 17,720 1,721 24,723 40,724 16,725 13,726 3,727 3,729 3,730 4,731 1,734 2,739 1,741 13,742 3,753 1,754 1,757 16,758 5,759 4,760 6,761 1,764 5,769 0.667,775 1,776 1,781 3,785 1,802 2,806 2,807 1,810 22,811 2,816 1,828 1,836 12,837 7.493,838 4.722,839 2.109,840 3.417,841 1.492,842 1.015,843 3.791,844 10.362,845 3.512,846 4.22,847 4.844,848 5.472,849 6.066,850 6.348,851 6.684,852 7.127,853 7.559,854 7.718,855 0.833,856 37,857 8.05,859 3.389,860 7.755,861 15.256,863 12.4,865 2.255,866 49.611,870 141.253,871 82.419,872 116.151,873 39.149,877 82.419,878 180.402,879 116.151,880 17.65,881 2.535,882 94.223,883 62.128,884 29.579,885 4.227,886 129.482,887 39.149,888 141.253,889 198.57,891 39.149,893 142.969,897 31.131,898 115.367,899 89.505,901 141.253,902 116.151,903 121.568,906 141.253,907 27.293,908 55.127,910 155.3,911 141.253,912 116.151,913 121.568,915 0.598,916 0.351,917 0.19,918 0.105,919 18,920 9,921 0.05,922 2,923 1,924 1.125,925 3.298,926 176.687,927 0.125,928 16,929 98.107,933 14.855,934 5.615,935 2.822,936 1.278,937 116.151,938 7.688,939 12.525,943 5.645,945 65.794,946 378.972,947 32.5,956 38.134,957 42.927,958 0.3,959 0.692,960 0.838,961 0.892,962 0.922,963 0.922,964 4.756,965 1.293,966 5.659,967 3.937,968 4.263,969 4.905,970 0.655,971 6.503,972 4.168,973 6.017,974 0.464,975 7.246,976 3.363,977 4.007,978 4.913,980 7.455,981 3.861,982 7.359,983 0.113,984 8.929,985 1.144,986 5.894,987 7.234,988 0.356,989 10.569,990 5.741,991 8.734,992 -0.111,993 10.665,994 0.254,995 6.382,996 8,998 12.327,999 6.205,1000 10.137,1001 -0.358,1002 12.437,1003 -0.289,1004 7.805,1005 9.85,1006 0.18,1007 14.99,1008 7.616,1009 11.559,1010 -0.525,1011 14.233,1012 -0.982,1013 8.643,1014 10.993,1016 17.112,1017 8.441,1018 12.999,1019 -0.805,1020 16.05,1021 -1.302,1022 9.889,1023 12.647,1024 0.087,1025 19.613,1026 9.671,1027 3.219,1028 -1,1029 17.882,1030 -2.076,1031 10.894,1032 13.982,1034 21.898,1035 10.662,1036 2.872,1037 11.244,1038 19.728,1039 -2.442,1040 12.072,1041 15.553,1042 0.041,1043 24.34,1044 11.822,1045 2.498,1046 8.947,1047 21.585,1048 4.617,1049 13.155,1050 16.984,1052 26.698,1053 12.887,1054 2.107,1055 7.668,1056 23.451,1057 3.893,1058 14.311,1059 18.522,1060 0.019,1061 29.12,1062 14.023,1063 2.026,1064 5.925,1065 25.325,1066 3.393,1067 15.431,1068 20,1070 31.509,1071 15.122,1072 1.963,1073 5.803,1074 27.206,1075 2.861,1076 16.582,1077 21.526,1078 0.009,1079 33.926,1080 16.251,1081 1.48,1082 5.618,1083 29.092,1084 2.781,1085 17.719,1086 23.027,1088 36.331,1089 17.367,1090 4504,1091 7936,1092 15.433,1093 26.455,1094 36.405,1095 36.942,1096 38.171,1097 36.216,1098 36.071,1099 49.333,1100 1.36,1101 107.807,1102 34.106,1103 5.427,1104 5.347,1105 6.16,1106 5.268,1107 5.219,1108 7.617,1109 1.36,1110 18.517,1111 5.143,1112 12.695,1113 1.517,1114 1.539,1115 1.59,1116 1.509,1117 1.503,1118 2.056,1119 0.057,1120 4.492,1121 1.421,1122 4.083,1123 4.119,1124 4.074,1125 3.993,1126 5.321,1127 4,1128 3.911,1129 3.938,1130 3.975,1131 3.845,1132 4.982,1133 3.845,1134 3.512,1135 3.578,1136 3.506,1137 3.341,1138 4.934,1139 3.359,1140 3.189,1141 3.274,1142 3.356,1143 3.068,1144 4.799,1145 3.042,1146 3.174,1147 3.255,1148 3.051,1149 2.976,1150 4.357,1151 2.97,1152 3.055,1153 3.154,1154 2.919,1155 2.85,1156 4.17,1157 2.865,1158 3.023,1159 3.137,1160 2.802,1161 2.704,1162 4.02,1163 2.721,1164 2.719,1165 2.804,1166 2.651,1167 2.544,1168 3.737,1169 2.536,1170 0.194,1171 0.139,1172 0.285,1173 0.175,1174 0.134,1175 4.657,1176 0.192,1177 3.347,1178 0.028,1179 6.837,1180 0.468,1181 4.193,1182 0.131,1183 3.219,1184 4.617,1185 0.68,1186 11.244,1187 3.143,1188 2.02,1189 1.994,1190 2.095,1191 2.137,1192 1.295,1193 2.121,1194 1.893,1195 1.868,1196 1.977,1197 1.981,1198 1.107,1199 1.99,1200 1.45,1201 1.392,1202 1.609,1203 1.667,1204 0.696,1205 1.659,1206 1.199,1207 1.132,1208 1.525,1209 1.418,1210 0.579,1211 1.453,1212 1.168,1213 1.081,1214 1.484,1215 1.395,1216 0.558,1217 1.436,1218 1.008,1219 0.931,1220 1.267,1221 1.34,1222 0.206,1223 1.341,1224 0.946,1225 0.826,1226 1.245,1227 1.262,1228 0.07,1229 1.27,1230 0.716,1231 0.637,1232 1.019,1233 0.949,1235 0.979,1236 3.892,1238 5.242,1240 6.79,1242 8.437,1244 10.134,1246 4.058,1247 6.091,1250 11.598,1252 0.727,1262 25.095,1263 59.812,1264 137.911,1265 167.157,1266 177.911,1267 183.911,1268 183.911,1269 30.734,1270 6.945,1271 90.71,1272 90.71,1273 18,1274 12.404,1275 4.17,1276 3.248,1277 34.406,1278 68,1279 62,1280 0.256,1281 160.953,1282 264.67,1283 384.485,1284 8618,1285 2.6,1286 15.853,1287 0.721,1288 0.598,1289 16.353,1290 13.147,1291 10.452,1292 0.436,1293 0.302,1294 6.841,1295 9.878,1296 6.538,1297 5.461,1298 10.741,1299 7.254,1300 9.979,1301 0.285,1302 0.165,1303 10.387,1304 5.758,1305 8.17,1306 0.178,1307 0.088,1308 8.432,1309 4.062,1310 6.99,1311 0.115,1312 0.045,1313 7.224,1314 2.742,1315 5.539,1316 0.072,1317 0.025,1318 5.834,1319 1.918,1320 0.39,1321 67.738,1322 0.255,1323 21.308,1324 0.735,1325 118,1326 319.763,1327 141.679,1328 353.158,1329 480.93,1330 328,1331 140,1332 342.651,1333 157.419,1334 363.032,1335 528.97,1336 340,1337 8.553}
{0 CHEMBL34823,1 1.647,2 10.708,3 2.262,4 5.118,5 93.055,6 7.771,7 0.48,8 3.832,9 3.951,10 3.399,11 3.319,12 5.106,13 3.326,14 4.283,15 4.448,16 3.703,17 3.651,18 5.602,19 3.627,20 4.451,21 4.622,22 3.717,23 3.767,24 5.642,25 3.726,26 4.518,27 4.714,28 3.624,29 3.76,30 5.724,31 3.69,32 4.491,33 4.717,34 3.578,35 3.743,36 5.567,37 3.65,38 4.5,39 4.741,40 3.616,41 3.691,42 5.587,43 3.612,44 4.407,45 4.618,46 3.566,47 3.607,48 5.604,49 3.547,50 4.392,51 4.625,52 3.342,53 3.448,54 5.613,55 3.378,56 0.109,57 0.611,58 8.074,59 3.416,60 19.913,61 4.26,62 0.354,63 0.891,64 14.435,65 5.875,66 53.459,67 7.522,68 0.299,69 1.026,70 17.237,71 6.485,72 50.218,73 8.444,74 0.417,75 1.051,76 19.497,77 6.943,78 64.297,79 9.115,80 0.223,81 1.03,82 19.06,83 7.292,84 40.972,85 10.323,86 0.392,87 1.001,88 20.366,89 7.008,90 47.476,91 10.192,92 0.228,93 0.938,94 17.436,95 6.187,96 33.218,97 8.697,98 0.439,99 0.846,100 18.688,101 5.332,102 64.418,103 7.489,104 34,105 33,106 0.289,107 0.715,108 0.848,109 0.884,110 0.884,111 0.884,112 3.228,113 0.868,114 -3.63,115 -3.6,116 -3.43,119 40.5,121 3,124 1,138 2,139 3,140 3,141 1,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 10,167 1,169 1,170 5,172 3,173 4,175 2,178 11,179 1,180 1,182 6,187 2,189 11,190 1,191 1,193 5,195 1,196 1,197 1,198 3,200 2,201 9,202 1,204 2,205 1,207 4,212 3,215 7,216 1,218 2,220 2,221 6,223 1,224 1,226 4,229 4,230 2,231 3,234 7,239 5,241 2,242 2,243 3,246 5,248 1,249 1,251 5,254 1,255 1,256 3,260 3,261 1,265 4,269 1,270 3,273 946,274 15.87,275 15.87,276 15.87,277 15.87,278 15.87,279 13.811,280 19.689,281 9.542,282 16.227,283 12.276,284 12.276,285 12.276,286 12.276,287 12.276,288 9.152,289 22.883,290 4.485,291 12.758,292 3.745,293 1.316,294 0.56,295 0.351,296 0.351,297 0.351,298 3.89,300 1,301 1,302 1,303 521,304 3.464,307 169.844,314 1.733,315 28.063,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 53,327 257,328 4.351,329 3.601,330 6.251,331 3.956,332 2.98,333 3.997,334 2.341,335 9.444,336 2.911,337 4.189,338 3.272,339 5.984,340 3.722,341 2.765,342 3.832,343 0.86,344 8.479,345 2.65,346 3.917,347 2.969,348 5.253,349 3.288,350 2.301,351 3.14,352 0.68,353 6.648,354 2.262,355 3.541,356 2.788,357 4.963,358 3.2,359 2.203,360 2.763,362 5.821,363 2.174,364 3.452,365 2.324,366 4.657,367 3.024,368 2.1,369 2.707,371 5.177,372 1.934,373 3.186,374 2.275,375 4.42,376 2.544,377 1.596,378 2.075,380 4.275,381 1.509,382 2.928,383 1.934,384 4.075,385 2.377,386 1.384,387 2.01,389 3.499,390 1.369,391 2.773,392 1.497,393 3.511,394 2.292,395 1.339,396 1.889,398 2.857,399 1.271,400 1.955,401 1.147,402 3.122,403 1.638,404 0.713,405 0.828,407 1.393,408 0.65,409 1.824,410 0.888,411 2.882,412 1.358,413 0.38,414 0.495,415 0.884,416 0.369,417 1.542,418 0.615,419 2.631,420 1.213,421 0.287,422 0.349,423 0.53,424 0.264,425 0.983,426 0.502,427 2.359,428 0.655,429 -0.285,430 -0.338,431 -0.551,432 -0.265,433 0.816,434 0.187,435 2.301,436 0.504,437 -0.486,438 -0.567,439 -1.24,440 -0.464,441 0.786,442 -0.035,443 2.175,444 0.392,445 -0.516,446 -0.621,448 -1.267,449 -0.48,450 0.585,451 -0.314,452 1.932,453 0.099,454 -0.905,455 -1.121,457 -2,458 -0.853,459 11.1,460 0.463,461 0.596,462 0.025,463 32,464 1.333,465 17,466 0.708,467 15,468 0.625,469 16.921,470 0.705,471 26.1,472 0.621,473 23.946,474 0.998,475 6.623,476 0.276,477 4.868,478 0.203,479 0.177,481 0.315,485 0.965,486 1.17,487 0.821,488 0.989,489 0.929,490 0.88,491 0.673,492 0.844,493 0.764,494 0.924,495 0.453,496 0.885,497 1.076,498 1.159,499 1.067,500 1.101,501 1.069,502 1.087,503 1.107,504 0.938,505 1.196,506 1.048,507 0.937,508 1.128,509 0.547,510 1.127,511 0.905,512 1.17,513 0.447,514 1.118,515 0.52,516 0.94,517 0.76,518 0.931,519 0.434,520 0.902,521 0.797,522 1.347,523 0.919,524 1.24,525 0.605,526 1.128,527 1.279,528 0.956,529 1.216,530 0.989,531 1.256,532 1.059,533 5.5,534 0.103,535 2.444,536 1.25,537 1.307,538 0.611,539 0.549,540 0.366,541 0.259,542 0.153,543 6013,544 21002,545 1.948,546 42.9,547 4,548 6,550 1,551 5,552 2,555 1.669,556 1.8,557 3.374,558 2.661,559 1,560 1,562 1,564 69.177,565 1.647,566 4.076,567 4.833,568 5.041,569 5.041,570 5.041,571 2.907,572 4.085,573 4.549,574 3.558,575 981.909,576 7.858,577 11921,578 1,579 1,581 1,582 226.477,583 1.49,584 4.498,585 0.22,586 0.009,587 0.074,588 0.038,589 0.045,590 0.022,591 0.019,592 0.014,593 0.013,594 0.01,595 0.462,596 0.17,597 1,598 1.725,599 115.56,600 -0.16,601 0.033,602 -0.019,603 0.069,604 -0.178,605 0.066,606 0.193,607 0.239,608 0.118,609 0.12,610 0.239,611 0.096,612 -0.19,613 -0.093,614 -0.18,615 -0.074,616 -0.211,617 -0.116,618 -0.183,619 0.094,620 -0.271,621 -0.049,622 -0.125,623 -0.16,624 0.025,625 -0.133,626 0.002,627 -0.132,628 0.054,629 -0.076,630 0.186,631 0.024,632 0.199,633 0.072,634 0.105,635 0.126,636 -0.023,637 -0.35,638 0.012,639 -0.234,640 0.074,641 -0.127,642 -0.192,643 0.015,644 -0.205,645 -0.066,646 -0.18,647 -0.118,648 2.529,649 3.49,650 0.5,651 23.868,652 1.014,653 1.132,654 2.397,655 5.744,656 0.66,657 3.258,658 3.526,659 3.689,660 3.871,661 4.078,662 4.094,663 4.111,664 4.143,665 4.205,666 4.143,667 6.354,668 0.641,669 326.39,670 3.258,671 4.762,672 5.565,673 6.409,674 7.235,675 8.085,676 8.924,677 9.778,678 10.624,679 11.481,680 9.5,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 1,718 42,719 14,720 1,721 25,723 43,724 17,725 10,726 3,727 3,729 2,730 2,739 3,740 2,741 11,742 4,744 1,748 1,751 1,753 1,754 1,757 18,758 7,759 5,760 7,764 4,769 1,770 3,776 1,781 2,788 2,792 1,800 1,802 2,806 1,810 24,811 2,815 1,816 3,818 1,823 1,827 2,829 7.1,831 1,832 1,834 1,836 13.333,837 7.683,838 5.472,839 2.211,840 2.967,841 1.449,842 0.932,843 6.135,844 9.57,845 3.555,846 4.111,847 4.6,848 5.107,849 5.663,850 5.857,851 6.168,852 6.469,853 6.801,854 7.096,855 1,856 33,857 8.766,859 3.559,860 8.069,861 16.148,863 12.334,865 2.569,866 61.667,870 153.024,871 109.961,872 99.365,874 78.828,877 109.961,878 231.852,879 99.365,880 10.883,881 7.604,882 94.223,883 114.08,884 34.847,885 38.288,886 141.253,888 153.024,889 209.326,890 78.828,893 153.024,894 78.828,897 18.55,898 123.144,899 67.632,901 153.024,902 178.194,903 109.961,906 153.024,907 27.541,908 48.359,909 34.061,910 178.194,911 153.024,912 178.194,913 109.961,915 0.568,916 0.31,917 0.157,918 0.087,919 13,920 7,921 0.116,922 5,924 1,925 3.593,926 177.208,928 12,929 110.039,933 17.739,934 8.3,935 5.221,937 178.194,938 7.092,939 7.898,943 3.526,945 108.478,946 441.179,947 34,951 10.49,954 -0.862,956 42.574,957 47.528,958 0.305,959 0.756,960 0.896,961 0.935,962 0.935,963 0.935,964 4.771,965 1.339,966 5.533,967 3.499,968 4.205,969 4.796,970 2.482,971 6.267,972 4.135,973 5.99,974 0.713,975 7.05,976 2.857,977 3.761,978 4.543,979 2.243,980 7.034,981 3.658,982 7.294,983 0.38,984 8.662,985 1.393,986 5.727,987 6.952,988 3.668,989 10.06,990 5.601,991 8.628,992 0.287,993 10.329,994 0.884,995 6.043,996 7.443,997 4.112,998 11.622,999 5.879,1000 9.985,1001 -0.285,1002 12.031,1003 0.53,1004 7.503,1005 9.356,1006 5.207,1007 14.17,1008 7.324,1009 11.359,1010 -0.486,1011 13.758,1012 -0.551,1013 8.188,1014 10.223,1015 5.889,1016 16.083,1017 7.971,1018 12.747,1019 -0.516,1020 15.503,1021 -1.24,1022 9.43,1023 11.898,1024 6.849,1025 18.446,1026 9.198,1027 2.98,1028 -0.905,1029 17.262,1030 -1.267,1031 10.306,1032 12.977,1033 7.625,1034 20.524,1035 10.038,1036 2.765,1037 9.444,1038 19.032,1039 -2,1040 11.45,1041 14.521,1042 8.526,1043 22.809,1044 11.164,1045 2.301,1046 8.479,1047 20.811,1048 3.997,1049 12.424,1050 15.723,1051 9.342,1052 24.965,1053 12.105,1054 2.203,1055 6.648,1056 22.598,1057 3.832,1058 13.525,1059 17.192,1060 10.216,1061 27.217,1062 13.187,1063 2.1,1064 5.821,1065 24.39,1066 3.14,1067 14.549,1068 18.466,1069 11.051,1070 29.41,1071 14.181,1072 1.596,1073 5.177,1074 26.187,1075 2.763,1076 15.633,1077 19.893,1078 11.912,1079 31.649,1080 15.244,1081 1.384,1082 4.275,1083 27.988,1084 2.707,1085 16.682,1086 21.209,1087 12.755,1088 33.863,1089 16.267,1090 6186,1091 11646,1092 16.008,1093 27.716,1094 37.398,1095 37.592,1096 37.433,1097 36.106,1098 36.094,1099 48.168,1100 7.762,1101 98.017,1102 34.727,1103 5.13,1104 5.601,1105 5.94,1106 5.025,1107 4.98,1108 6.997,1109 3.925,1110 15.9,1111 4.911,1112 14.358,1113 1.496,1114 1.504,1115 1.497,1116 1.444,1117 1.444,1118 1.927,1119 0.31,1120 3.921,1121 1.389,1122 3.994,1123 4.022,1124 3.949,1125 3.925,1126 7.474,1127 3.926,1128 3.816,1129 3.862,1130 3.779,1131 3.671,1132 6.351,1133 3.691,1134 3.659,1135 3.69,1136 3.568,1137 3.512,1138 5.291,1139 3.516,1140 3.325,1141 3.353,1142 3.26,1143 3.132,1144 4.98,1145 3.158,1146 3.217,1147 3.301,1148 3.075,1149 2.985,1150 4.91,1151 2.996,1152 3.126,1153 3.18,1154 2.97,1155 2.883,1156 4.653,1157 2.891,1158 2.998,1159 3.114,1160 2.84,1161 2.694,1162 4.447,1163 2.714,1164 2.82,1165 2.919,1166 2.662,1167 2.593,1168 4.224,1169 2.605,1170 0.174,1171 0.144,1172 0.25,1173 0.158,1174 0.119,1175 4.351,1176 0.16,1177 3.601,1178 0.094,1179 6.251,1180 0.378,1181 3.956,1182 0.116,1183 2.98,1184 3.997,1185 2.341,1186 9.444,1187 2.911,1188 1.954,1189 1.935,1190 2.043,1191 2.05,1192 1.217,1193 2.045,1194 1.753,1195 1.711,1196 1.862,1197 1.924,1198 1.072,1199 1.905,1200 1.616,1201 1.579,1202 1.794,1203 1.803,1204 0.874,1205 1.802,1206 1.245,1207 1.213,1208 1.571,1209 1.522,1210 0.574,1211 1.535,1212 1.168,1213 1.09,1214 1.409,1215 1.438,1216 0.408,1217 1.435,1218 1.062,1219 1.011,1220 1.254,1221 1.337,1222 0.234,1223 1.315,1224 0.908,1225 0.797,1226 1.233,1227 1.279,1228 0.116,1229 1.273,1230 0.786,1231 0.707,1232 1.1,1233 1.079,1235 1.097,1236 3.932,1238 5.209,1240 6.671,1242 8.223,1244 9.826,1246 1.583,1250 11.373,1251 8.616,1252 0.796,1254 5.361,1261 5.793,1262 26.918,1263 69.177,1264 171.193,1265 202.968,1266 211.722,1267 211.722,1268 211.722,1269 49.201,1270 6.603,1271 124.35,1272 124.35,1273 12,1274 12.036,1275 3.907,1276 3.322,1277 48.426,1278 87,1279 100,1280 0.264,1281 171.873,1282 302.75,1283 411.13,1284 5757,1286 17.527,1287 0.73,1288 0.552,1289 17.527,1290 13.244,1291 11.49,1292 0.46,1293 0.289,1294 7.116,1295 10.982,1296 6.923,1297 5.782,1298 11.49,1299 7.237,1300 10.177,1301 0.308,1302 0.153,1303 10.177,1304 5.038,1305 7.631,1306 0.196,1307 0.084,1308 7.631,1309 3.275,1310 5.965,1311 0.127,1312 0.045,1313 5.965,1314 2.104,1315 4.633,1316 0.08,1317 0.023,1318 4.633,1319 1.363,1320 0.416,1321 72.652,1322 0.25,1323 23.724,1324 0.717,1325 116,1326 399.535,1327 129.357,1328 386.915,1329 511.1,1330 358,1331 130,1332 360.184,1333 140.977,1334 367.555,1335 522.43,1336 342,1337 5.398}
{0 CHEMBL349149,1 1.562,2 9.458,3 3.353,4 11.243,5 95.725,6 7.373,7 0.654,8 3.886,9 4.01,10 3.436,11 3.388,12 5.052,13 3.382,14 4.373,15 4.543,16 3.766,17 3.75,18 5.488,19 3.722,20 4.531,21 4.705,22 3.856,23 3.905,24 5.581,25 3.862,26 4.654,27 4.839,28 3.809,29 3.954,30 5.707,31 3.869,32 4.789,33 5.036,34 3.62,35 3.929,36 5.738,37 3.796,38 4.703,39 4.987,40 3.501,41 3.786,42 5.545,43 3.647,44 4.504,45 4.745,46 3.537,47 3.65,48 5.46,49 3.574,50 4.413,51 4.63,52 3.548,53 3.588,54 5.508,55 3.521,56 0.048,57 0.649,58 9.218,59 3.761,60 10.917,61 4.954,62 0.265,63 0.973,64 16.761,65 6.512,66 27.278,67 8.448,68 0.169,69 1.157,70 19.208,71 7.259,72 18.251,73 9.886,74 0.199,75 1.267,76 22.02,77 8.68,78 29.279,79 11.834,80 0.44,81 1.341,82 27.58,83 8.974,84 48.945,85 13.168,86 0.279,87 1.148,88 26.449,89 8.928,90 37.056,91 13.196,92 0.274,93 0.954,94 21.199,95 7.107,96 30.501,97 9.922,98 0.306,99 0.92,100 18.487,101 6.158,102 31.834,103 8.786,104 21,105 36,106 0.271,107 0.607,108 0.73,109 0.822,110 0.854,111 0.877,112 3.229,113 0.881,114 -4.47,115 -4.4,116 -4.15,119 40.9,121 2,124 2,139 6,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 9,169 1,170 7,172 3,173 3,175 1,178 11,180 1,182 8,187 1,189 10,191 1,193 7,195 1,196 1,197 1,198 5,200 2,201 7,204 5,205 1,206 1,207 5,212 4,215 6,218 4,221 5,226 3,229 5,231 3,234 5,239 2,241 4,243 2,245 2,246 4,248 1,249 1,251 2,254 2,256 2,259 2,260 3,262 1,263 1,265 2,268 1,270 2,273 754,274 16.326,275 16.326,276 16.326,277 16.326,278 16.326,279 14.245,280 19.174,281 9.51,282 16.854,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.448,289 21.887,290 4.32,291 13.364,292 3.898,293 1.96,294 1.25,295 0.716,296 0.534,297 0.398,298 3.91,300 1,301 1,302 1,303 480,304 2.828,307 192.226,311 99.785,314 1.253,315 19.668,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52,327 227,328 4.615,329 3.255,330 6.767,331 4.143,332 3.166,333 4.573,334 0.86,335 11.062,336 3.096,337 4.266,338 3.163,339 6.172,340 3.869,341 2.901,342 3.91,343 0.86,344 9.169,345 2.807,346 3.724,347 2.687,348 5.342,349 3.295,350 2.354,351 3.178,353 6.787,354 2.216,355 3.543,356 2.518,357 5.22,358 3.159,359 2.235,360 2.867,362 6.489,363 2.056,364 3.451,365 2.103,366 5.061,367 2.963,368 2.012,369 2.85,371 5.822,372 1.912,373 3.16,374 2.078,375 4.79,376 2.79,377 1.838,378 2.381,380 5.112,381 1.74,382 2.916,383 1.886,384 4.387,385 2.541,386 1.572,387 2.059,389 4.219,390 1.517,391 2.663,392 1.271,393 3.681,394 2.199,395 1.217,396 1.731,398 2.767,399 1.193,400 2.013,401 1.237,402 3.294,403 1.721,404 0.795,405 0.935,407 1.681,408 0.726,409 1.775,410 0.917,411 3.014,412 1.542,413 0.611,414 0.691,415 1.184,416 0.567,417 1.45,418 0.714,419 2.732,420 1.185,421 0.326,422 0.357,423 0.446,424 0.277,425 1.285,426 0.154,427 2.694,428 0.831,429 -0.106,430 -0.14,431 -0.274,432 -0.099,433 1.084,434 -0.031,435 2.513,436 0.715,437 -0.25,438 -0.314,439 -0.559,440 -0.239,441 0.842,442 -0.215,443 2.359,444 0.445,445 -0.478,446 -0.591,448 -1.083,449 -0.437,450 0.675,451 -0.322,452 2.215,453 0.309,454 -0.622,455 -0.744,457 -1.367,458 -0.574,459 11.267,460 0.469,461 0.554,462 0.023,463 33.5,464 1.396,465 18,466 0.75,467 15.5,468 0.646,469 17.252,470 0.719,471 25.933,472 0.589,473 24.064,474 1.003,475 6.792,476 0.283,477 4.826,478 0.201,479 0.16,481 0.355,485 1.006,486 1.21,487 0.829,488 1.054,489 1.19,490 0.923,491 1.108,492 0.81,493 0.805,494 0.833,495 0.689,496 0.8,497 1.049,498 1.139,499 0.956,500 1.048,501 0.905,502 0.994,503 0.905,504 1.329,505 1.121,506 1.352,507 0.811,508 1.299,509 0.951,510 1.018,511 1.222,512 1.096,513 1.243,514 1.174,515 0.761,516 0.847,517 0.856,518 0.911,519 0.777,520 0.898,521 1.251,522 0.892,523 0.866,524 0.845,525 0.957,526 0.814,527 0.937,528 1.115,529 0.952,530 1.097,531 0.91,532 1.042,533 5,534 0.103,535 2.667,536 2,537 1.511,538 0.708,539 0.429,540 0.309,541 0.288,542 0.195,543 5946,544 16484,545 2.04,546 45.5,547 4,548 12,551 4,555 1.671,556 1.895,557 3.201,558 1.777,559 1,560 1,562 1,564 68.718,565 1.562,566 3.499,567 4.209,568 4.743,569 4.925,570 5.061,571 2.584,572 3.772,573 4.561,574 3.338,575 921.239,576 7.88,577 10819.7,579 1,581 1,582 240.215,583 1.459,584 4.507,585 0.192,586 0.01,587 0.074,588 0.051,589 0.043,590 0.026,591 0.017,592 0.011,593 0.011,594 0.01,595 0.447,597 1,598 0.921,599 113.351,600 -0.105,601 -0.012,602 0.03,603 0.006,604 -0.212,605 0.044,606 0.024,607 0.257,608 0.13,609 0.202,610 0.182,611 0.173,612 -0.132,613 -0.044,614 -0.05,615 -0.017,616 -0.097,617 -0.017,618 -0.039,619 -0.286,620 -0.214,621 -0.315,622 0.028,623 -0.307,624 -0.073,625 -0.028,626 -0.255,627 -0.133,628 -0.239,629 -0.203,630 0.013,631 0.037,632 0.138,633 0.074,634 0.047,635 0.124,636 -0.099,637 0.013,638 0.144,639 0.148,640 -0.004,641 0.178,642 0.167,643 -0.122,644 0.028,645 -0.123,646 0.107,647 -0.08,648 1.48,649 2.053,650 0.667,651 17.132,652 1.003,653 1.13,654 3.241,655 10.506,656 0.66,657 3.296,658 3.611,659 3.892,660 4.159,661 4.357,662 4.394,663 4.394,664 4.454,665 4.564,666 4.554,667 5.676,668 0.63,669 324.42,670 3.296,671 4.828,672 5.68,673 6.561,674 7.428,675 8.315,676 9.186,677 10.074,678 10.948,679 11.837,680 9.1,684 2,690 2,694 2,695 6,696 2,700 6,702 17,711 2,716 2,718 44,719 17,720 2,721 26,723 46,724 18,725 14,726 6,727 6,729 3,730 4,739 2,741 14,742 4,753 1,754 1,757 20,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 2,818 2,829 4.5,834 2,836 12.667,837 8.4,838 5.444,839 2.367,840 3.459,841 1.488,842 0.987,843 4.833,844 10.554,845 3.57,846 4.22,847 4.852,848 5.464,849 6.018,850 6.262,851 6.524,852 6.869,853 7.258,854 7.354,855 1,856 39,857 8.791,859 3.62,860 7.722,861 16.71,863 13.265,865 2.222,866 53.333,869 1,870 188.338,871 109.495,872 99.365,874 22,877 109.495,878 210.337,879 99.365,880 21.766,881 5.069,882 122.652,883 33.571,884 43.575,885 4.227,886 188.338,888 188.338,889 208.86,890 22,893 188.338,894 22,897 9.112,898 166.177,899 33.571,901 188.338,902 121.365,903 109.495,906 188.338,907 30.871,908 78.624,910 121.365,911 188.338,912 121.365,913 109.495,915 0.574,916 0.35,917 0.196,918 0.104,919 17,920 8,921 0.109,922 5,923 1,924 1.125,925 3.535,926 193.949,927 0.125,928 16,929 110.039,933 16.493,934 7.033,935 3.45,936 1.615,937 121.365,938 11.655,939 8.333,943 4.389,945 65.794,946 419.198,947 34.5,956 44.131,957 49.734,958 0.286,959 0.641,960 0.771,961 0.869,962 0.902,963 0.927,964 4.79,965 1.217,966 5.666,967 4.219,968 4.29,969 4.905,970 1.376,971 6.485,972 4.203,973 6.015,974 0.795,975 7.231,976 2.767,977 3.892,978 4.808,980 7.416,981 3.767,982 7.337,983 0.611,984 8.894,985 1.681,986 5.889,987 7.2,988 1.159,989 10.513,990 5.739,991 8.698,992 0.326,993 10.615,994 1.184,995 6.293,996 7.916,998 12.282,999 6.111,1000 10.09,1001 -0.106,1002 12.375,1003 0.446,1004 7.766,1005 9.795,1006 0.963,1007 14.91,1008 7.57,1009 11.504,1010 -0.25,1011 14.162,1012 -0.274,1013 8.555,1014 10.912,1016 17.04,1017 8.333,1018 12.937,1019 -0.478,1020 15.97,1021 -0.559,1022 9.818,1023 12.577,1024 0.787,1025 19.509,1026 9.582,1027 3.166,1028 -0.622,1029 17.795,1030 -1.083,1031 10.792,1032 13.895,1034 21.792,1035 10.534,1036 2.901,1037 11.062,1038 19.634,1039 -1.367,1040 11.971,1041 15.467,1042 0.634,1043 24.208,1044 11.697,1045 2.354,1046 9.169,1047 21.483,1048 4.573,1049 13.032,1050 16.885,1052 26.554,1053 12.736,1054 2.235,1055 6.787,1056 23.342,1057 3.91,1058 14.18,1059 18.419,1060 0.504,1061 28.953,1062 13.867,1063 2.012,1064 6.489,1065 25.208,1066 3.178,1067 15.281,1068 19.885,1070 31.328,1071 14.946,1072 1.838,1073 5.822,1074 27.081,1075 2.867,1076 16.419,1077 21.404,1078 0.395,1079 33.723,1080 16.066,1081 1.572,1082 5.112,1083 28.959,1084 2.85,1085 17.539,1086 22.894,1088 36.11,1089 17.164,1090 5872,1091 9877,1092 17.107,1093 29.023,1094 37.956,1095 38.917,1096 40.073,1097 37.998,1098 38.055,1099 51.067,1100 3.44,1101 109.476,1102 36.216,1103 5.456,1104 5.255,1105 6.336,1106 5.215,1107 5.166,1108 7.573,1109 1.72,1110 17.97,1111 5.096,1112 12.483,1113 1.46,1114 1.497,1115 1.541,1116 1.461,1117 1.464,1118 1.964,1119 0.132,1120 4.211,1121 1.393,1122 4.085,1123 4.117,1124 4.052,1125 4.004,1126 5.306,1127 4.01,1128 3.923,1129 3.941,1130 3.875,1131 3.84,1132 4.982,1133 3.845,1134 3.509,1135 3.577,1136 3.429,1137 3.324,1138 4.913,1139 3.34,1140 3.357,1141 3.414,1142 3.227,1143 3.199,1144 4.692,1145 3.198,1146 3.296,1147 3.354,1148 3.141,1149 3.017,1150 4.602,1151 3.038,1152 3.144,1153 3.236,1154 2.973,1155 2.873,1156 4.193,1157 2.877,1158 3.091,1159 3.204,1160 2.882,1161 2.848,1162 4.144,1163 2.845,1164 2.842,1165 2.92,1166 2.695,1167 2.654,1168 3.92,1169 2.658,1170 0.177,1171 0.125,1172 0.26,1173 0.159,1174 0.122,1175 4.615,1176 0.176,1177 3.255,1178 0.033,1179 6.767,1180 0.425,1181 4.143,1182 0.119,1183 3.166,1184 4.573,1185 0.86,1186 11.062,1187 3.096,1188 2.035,1189 2.01,1190 2.113,1191 2.137,1192 1.331,1193 2.128,1194 1.892,1195 1.874,1196 1.985,1197 1.999,1198 1.122,1199 1.995,1200 1.453,1201 1.392,1202 1.664,1203 1.677,1204 0.831,1205 1.672,1206 1.332,1207 1.273,1208 1.59,1209 1.573,1210 0.585,1211 1.575,1212 1.23,1213 1.168,1214 1.535,1215 1.522,1216 0.555,1217 1.541,1218 1.128,1219 1.035,1220 1.513,1221 1.419,1222 0.426,1223 1.456,1224 1.012,1225 0.93,1226 1.277,1227 1.37,1228 0.302,1229 1.357,1230 0.838,1231 0.753,1232 1.138,1233 1.051,1234 0.109,1235 1.081,1236 3.97,1238 5.283,1240 6.808,1242 8.435,1244 10.115,1246 3.316,1250 11.73,1252 1.557,1254 10.738,1262 27.73,1263 68.718,1264 153.976,1265 185.195,1266 208.705,1267 216.705,1268 222.705,1269 34.066,1270 7.095,1271 96.28,1272 96.28,1273 18,1274 12.37,1275 4.17,1276 3.248,1277 39.183,1278 83,1279 76,1280 0.236,1281 173.003,1282 290.64,1283 413.887,1284 11096,1286 17.104,1287 0.713,1288 0.573,1289 17.104,1290 13.744,1291 11.618,1292 0.447,1293 0.294,1294 7.503,1295 11.106,1296 7.266,1297 6.076,1298 11.618,1299 7.636,1300 10.175,1301 0.283,1302 0.152,1303 10.175,1304 5.456,1305 8.633,1306 0.18,1307 0.083,1308 8.633,1309 4.006,1310 7.472,1311 0.119,1312 0.045,1313 7.472,1314 2.858,1315 5.728,1316 0.074,1317 0.025,1318 5.728,1319 1.899,1320 0.365,1321 73.331,1322 0.242,1323 23.176,1324 0.662,1325 124,1326 365.386,1327 136.14,1328 353.069,1329 488.06,1330 332,1331 146,1332 363.415,1333 157.31,1334 371.944,1335 539.25,1336 347,1337 5.387}
{0 CHEMBL35020,1 1.609,2 11.679,3 3.29,4 10.821,5 109.041,6 8.14,7 0.6,8 3.934,9 4.043,10 3.553,11 3.486,12 5.23,13 3.491,14 4.366,15 4.505,16 3.882,17 3.834,18 5.716,19 3.816,20 4.546,21 4.697,22 3.929,23 3.96,24 5.785,25 3.924,26 4.653,27 4.84,28 3.819,29 3.93,30 5.873,31 3.868,32 4.608,33 4.818,34 3.777,35 3.884,36 5.784,37 3.814,38 4.573,39 4.79,40 3.772,41 3.837,42 5.754,43 3.772,44 4.481,45 4.68,46 3.711,47 3.797,48 5.628,49 3.732,50 4.47,51 4.684,52 3.6,53 3.704,54 5.681,55 3.634,56 0.105,57 0.659,58 7.902,59 3.739,60 18.931,61 4.275,62 0.34,63 0.984,64 13.873,65 6.331,66 48.759,67 7.595,68 0.204,69 1.162,70 16.439,71 7.392,72 30.208,73 8.986,74 0.425,75 1.229,76 21.056,77 8.198,78 64.283,79 9.944,80 0.27,81 1.167,82 20.729,83 8.301,84 51.991,85 10.864,86 0.414,87 1.126,88 20.766,89 7.818,90 56.958,91 10.472,92 0.207,93 1.069,94 17.4,95 7.144,96 31.993,97 9.404,98 0.297,99 1.041,100 17.835,101 6.568,102 42.337,103 8.632,104 30,105 41,106 0.272,107 0.665,108 0.786,109 0.881,110 0.896,111 0.896,112 3.374,113 0.835,114 -4.59,115 -4.51,116 -4.25,119 45.7,121 1,124 1,138 2,139 7,140 5,141 1,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 15,167 1,169 1,170 5,172 3,173 4,175 2,178 18,179 2,180 1,182 7,187 3,189 17,190 2,191 1,193 6,195 1,196 1,197 1,198 4,200 2,201 13,202 2,204 2,205 1,207 5,212 4,215 12,216 1,218 2,220 2,221 6,223 1,224 1,226 4,229 11,230 1,231 3,234 6,239 4,241 9,242 2,243 3,246 6,248 1,249 1,251 5,254 6,255 2,256 3,260 6,265 5,268 3,269 1,270 3,273 1264,274 18.679,275 18.679,276 18.679,277 18.679,278 18.679,279 16.075,280 21.264,281 10.97,282 19.036,283 14.727,284 14.727,285 14.727,286 14.727,287 14.727,288 10.74,289 23.806,290 5.129,291 15.208,292 3.914,293 1.593,294 0.878,295 0.321,296 0.234,297 0.234,298 4.055,300 1,301 1,302 1,303 686,304 3.317,307 296.744,314 1.796,315 31.056,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 61,327 327,328 4.368,329 3.581,330 6.251,331 3.957,332 2.981,333 4.011,334 1.437,335 9.445,336 2.913,337 4.257,338 3.274,339 5.985,340 3.82,341 2.821,342 3.871,343 0.86,344 8.489,345 2.813,346 4.161,347 3.011,348 5.975,349 3.72,350 2.762,351 3.795,352 0.68,353 8.456,354 2.649,355 3.942,356 2.899,357 5.327,358 3.353,359 2.362,360 3.231,362 6.816,363 2.334,364 3.527,365 2.643,366 5.151,367 3.147,368 2.163,369 2.847,371 6.316,372 2.125,373 3.443,374 2.324,375 4.963,376 3.021,377 2.093,378 2.75,380 5.821,381 1.932,382 3.074,383 1.948,384 4.42,385 2.544,386 1.595,387 2.074,389 4.273,390 1.509,391 2.928,392 1.906,393 4.074,394 2.382,395 1.381,396 2.038,398 3.497,399 1.374,400 2.773,401 1.499,402 3.785,403 2.293,404 1.344,405 1.889,407 3.081,408 1.271,409 2.696,410 1.212,411 3.437,412 2.005,413 1,414 1.475,415 2.324,416 0.994,417 2.53,418 1.143,419 3.246,420 1.763,421 0.808,422 1.294,423 1.751,424 0.765,425 1.859,426 0.722,427 3.1,428 1.466,429 0.515,430 0.694,431 1.124,432 0.487,433 1.545,434 0.615,435 2.771,436 1.232,437 0.312,438 0.371,439 0.617,440 0.286,441 0.991,442 0.435,443 2.452,444 0.669,445 -0.272,446 -0.327,448 -0.532,449 -0.253,450 0.895,451 0.201,452 2.359,453 0.542,454 -0.444,455 -0.551,457 -1.188,458 -0.438,459 13.1,460 0.468,461 0.715,462 0.026,463 40.5,464 1.446,465 23,466 0.821,467 17.5,468 0.625,469 18.856,470 0.673,471 28.9,472 0.628,473 31.773,474 1.135,475 8.397,476 0.3,477 5.06,478 0.181,479 0.15,481 0.344,485 0.947,486 1.025,487 0.773,488 0.868,489 0.936,490 0.788,491 0.678,492 0.759,493 0.739,494 0.833,495 0.441,496 0.814,497 0.876,498 1.169,499 0.989,500 1.153,501 0.761,502 1.101,503 1.165,504 0.915,505 1.187,506 1.037,507 1.092,508 1.104,509 0.782,510 1.025,511 0.925,512 1.066,513 0.765,514 1.03,515 0.683,516 0.879,517 0.836,518 0.878,519 0.613,520 0.887,521 0.691,522 1.211,523 0.923,524 1.128,525 0.514,526 1.083,527 0.85,528 1.024,529 1.096,530 1.102,531 0.774,532 1.119,533 6.5,534 0.144,535 3.111,536 1.5,537 1.729,538 0.826,539 0.529,540 0.465,541 0.304,542 0.232,543 9808,544 32104,545 2.013,546 39.1,547 2,548 10,550 1,551 5,555 1.71,556 1.867,557 3.519,558 2.467,559 1,560 1,564 74.032,565 1.609,566 3.931,567 4.645,568 5.203,569 5.29,570 5.29,571 2.942,572 4.111,573 4.78,574 3.69,575 1394.81,576 8.309,577 18977.1,579 1,581 1,582 254.084,583 1.47,584 4.727,585 0.217,586 0.007,587 0.076,588 0.036,589 0.048,590 0.024,591 0.015,592 0.014,593 0.011,594 0.009,595 0.456,597 1,598 0.887,599 142.107,600 -0.153,601 0.089,602 -0.015,603 0.103,604 -0.204,605 0.086,606 0.184,607 0.286,608 0.101,609 0.16,610 0.241,611 0.114,612 -0.104,613 -0.135,614 -0.147,615 -0.165,616 -0.059,617 -0.161,618 -0.172,619 0.075,620 -0.241,621 -0.059,622 -0.165,623 -0.145,624 -0.024,625 -0.072,626 0.033,627 -0.057,628 0.013,629 -0.007,630 0.129,631 0.085,632 0.148,633 0.119,634 0.077,635 0.132,636 -0.018,637 -0.223,638 -0.003,639 -0.131,640 0.019,641 -0.079,642 -0.045,643 -0.007,644 -0.137,645 -0.142,646 -0.025,647 -0.142,648 2.654,649 4.074,650 0.643,651 27.367,652 1.012,653 1.12,654 3.363,655 11.31,656 0.689,657 3.434,658 3.738,659 3.951,660 4.143,661 4.369,662 4.357,663 4.394,664 4.454,665 4.585,666 4.615,667 6.985,668 0.672,669 374.43,670 3.434,671 4.963,672 5.79,673 6.648,674 7.492,675 8.35,676 9.2,677 10.059,678 10.911,679 11.77,680 8.7,684 2,690 2,695 8,696 2,700 8,702 18,709 1,711 2,716 1,718 46,719 20,720 2,721 30,723 48,724 21,725 16,726 5,727 7,728 1,729 3,730 3,739 1,740 2,741 17,742 2,744 1,748 1,751 1,754 1,757 18,758 7,759 5,760 7,764 4,769 1,770 3,776 1,781 3,788 2,800 1,802 3,806 1,810 28,811 2,815 1,816 1,818 1,823 1,827 2,829 6.5,831 1,832 1,834 1,836 15,837 8.517,838 6.25,839 2.392,840 4.334,841 1.599,842 0.969,843 5.904,844 11.567,845 3.761,846 4.363,847 4.94,848 5.474,849 6.057,850 6.297,851 6.691,852 7.084,853 7.56,854 7.967,855 0.875,856 42,857 10.238,859 4.271,860 8,861 18.892,863 14.8,865 2.5,866 70,869 1,870 153.024,871 149.168,872 99.365,874 78.828,877 149.168,878 231.852,879 99.365,880 10.883,881 2.535,882 132.128,883 114.08,884 41.219,885 38.288,886 141.253,888 153.024,889 248.534,890 78.828,893 153.024,894 78.828,897 13.481,898 167.42,899 67.632,901 153.024,902 178.194,903 149.168,906 153.024,907 28.843,908 86.264,909 34.061,910 178.194,911 153.024,912 178.194,913 149.168,915 0.579,916 0.333,917 0.169,918 0.095,919 18,920 9,921 0.083,922 4,924 1,925 3.956,926 230.41,928 18,929 134.606,933 19.374,934 8.533,935 4.874,937 178.194,938 13.619,939 7.956,943 4.295,945 108.478,946 480.386,947 42,951 11.074,954 -0.987,956 46.574,957 51.528,958 0.291,959 0.712,960 0.841,961 0.942,962 0.958,963 0.958,964 4.987,965 1.381,966 5.771,967 4.273,968 4.419,969 5.05,970 2.019,971 6.535,972 4.363,973 6.22,974 1.344,975 7.309,976 3.497,977 4.007,978 4.796,980 7.338,981 3.928,982 7.532,983 1,984 8.939,985 3.081,986 5.979,987 7.253,988 2.402,989 10.363,990 5.883,991 8.875,992 0.808,993 10.621,994 2.324,995 6.33,996 7.75,998 11.931,999 6.209,1000 10.243,1001 0.515,1002 12.335,1003 1.751,1004 7.788,1005 9.689,1006 2.975,1007 14.466,1008 7.656,1009 11.627,1010 0.312,1011 14.07,1012 1.124,1013 8.494,1014 10.556,1016 16.367,1017 8.337,1018 13.026,1019 -0.272,1020 15.82,1021 0.617,1022 9.733,1023 12.245,1024 3.637,1025 18.713,1026 9.565,1027 2.981,1028 -0.444,1029 17.582,1030 -0.532,1031 10.617,1032 13.319,1034 20.773,1035 10.425,1036 2.821,1037 9.445,1038 19.352,1039 -1.188,1040 11.757,1041 14.871,1042 4.336,1043 23.04,1044 11.551,1045 2.762,1046 8.489,1047 21.129,1048 4.011,1049 12.73,1050 16.065,1052 25.179,1053 12.502,1054 2.362,1055 8.456,1056 22.912,1057 3.871,1058 13.826,1059 17.539,1060 5.05,1061 27.414,1062 13.583,1063 2.163,1064 6.816,1065 24.7,1066 3.795,1067 14.845,1068 18.803,1070 29.592,1071 14.58,1072 2.093,1073 6.316,1074 26.491,1075 3.231,1076 15.923,1077 20.232,1078 5.77,1079 31.817,1080 15.641,1081 1.595,1082 5.821,1083 28.286,1084 2.847,1085 16.965,1086 21.54,1088 34.016,1089 16.662,1090 9641,1091 17566,1092 19.592,1093 31.716,1094 45.809,1095 45.613,1096 45.903,1097 44.276,1098 44.273,1099 60.681,1100 5.953,1101 124.017,1102 42.904,1103 5.146,1104 5.581,1105 5.805,1106 5.026,1107 4.981,1108 7.011,1109 2.873,1110 15.901,1111 4.913,1112 15.846,1113 1.527,1114 1.52,1115 1.53,1116 1.476,1117 1.476,1118 2.023,1119 0.198,1120 4.134,1121 1.43,1122 4.013,1123 4.037,1124 3.97,1125 3.956,1126 7.475,1127 3.955,1128 3.908,1129 3.934,1130 3.862,1131 3.837,1132 6.351,1133 3.838,1134 3.802,1135 3.843,1136 3.763,1137 3.657,1138 5.291,1139 3.678,1140 3.373,1141 3.384,1142 3.336,1143 3.243,1144 4.981,1145 3.258,1146 3.248,1147 3.302,1148 3.155,1149 3.009,1150 4.947,1151 3.037,1152 3.213,1153 3.264,1154 3.074,1155 2.975,1156 4.76,1157 2.991,1158 3.065,1159 3.143,1160 2.919,1161 2.886,1162 4.496,1163 2.883,1164 2.993,1165 3.089,1166 2.837,1167 2.695,1168 4.446,1169 2.714,1170 0.146,1171 0.119,1172 0.208,1173 0.132,1174 0.099,1175 4.368,1176 0.134,1177 3.581,1178 0.048,1179 6.251,1180 0.315,1181 3.957,1182 0.097,1183 2.981,1184 4.011,1185 1.437,1186 9.445,1187 2.913,1188 1.972,1189 1.956,1190 2.054,1191 2.054,1192 1.216,1193 2.052,1194 1.893,1195 1.872,1196 1.99,1197 1.988,1198 1.083,1199 1.987,1200 1.735,1201 1.693,1202 1.822,1203 1.904,1204 0.877,1205 1.885,1206 1.304,1207 1.288,1208 1.574,1209 1.529,1210 0.575,1211 1.54,1212 1.172,1213 1.108,1214 1.415,1215 1.452,1216 0.409,1217 1.441,1218 1.133,1219 1.087,1220 1.294,1221 1.416,1222 0.251,1223 1.368,1224 1.04,1225 0.993,1226 1.236,1227 1.302,1228 0.226,1229 1.299,1230 0.908,1231 0.797,1232 1.23,1233 1.197,1234 0.118,1235 1.216,1236 4.111,1238 5.416,1240 6.911,1242 8.49,1244 10.111,1246 1.588,1250 11.467,1251 9.078,1252 0.458,1254 5.421,1261 6.031,1262 30.918,1263 74.032,1264 180.823,1265 213.677,1266 239.329,1267 243.329,1268 243.329,1269 52.208,1270 7.233,1271 124.35,1272 124.35,1273 18,1274 12.322,1275 4.392,1276 3.7,1277 49.726,1278 118,1279 106,1280 0.205,1281 194.067,1282 340.77,1283 465.282,1284 13683,1286 20.096,1287 0.718,1288 0.541,1289 20.096,1290 15.139,1291 13.457,1292 0.449,1293 0.278,1294 8.23,1295 12.955,1296 8.007,1297 6.694,1298 13.457,1299 8.352,1300 12.113,1301 0.295,1302 0.146,1303 12.113,1304 5.978,1305 9.737,1306 0.191,1307 0.079,1308 9.737,1309 4.039,1310 7.651,1311 0.123,1312 0.043,1313 7.651,1314 2.644,1315 6.185,1316 0.079,1317 0.022,1318 6.185,1319 1.745,1320 0.325,1321 84.45,1322 0.226,1323 26.972,1324 0.55,1325 142,1326 459.535,1327 155.357,1328 450.993,1329 606.4,1330 418,1331 163,1332 438.184,1333 174.641,1334 450.73,1335 646.39,1336 420,1337 6.187}
{0 CHEMBL350730,1 1.617,2 9.458,3 2.315,4 5.357,5 96.194,6 7.568,7 0.654,8 3.876,9 4.005,10 3.445,11 3.344,12 5.069,13 3.354,14 4.348,15 4.518,16 3.774,17 3.694,18 5.501,19 3.686,20 4.492,21 4.662,22 3.869,23 3.838,24 5.598,25 3.816,26 4.609,27 4.796,28 3.823,29 3.871,30 5.716,31 3.808,32 4.737,33 4.99,34 3.631,35 3.836,36 5.751,37 3.727,38 4.623,39 4.902,40 3.493,41 3.705,42 5.499,43 3.591,44 4.434,45 4.658,46 3.539,47 3.611,48 5.445,49 3.549,50 4.403,51 4.622,52 3.546,53 3.574,54 5.5,55 3.512,56 0.079,57 0.658,58 8.833,59 3.382,60 11.93,61 4.501,62 0.31,63 0.966,64 16.06,65 5.765,66 28.424,67 7.546,68 0.26,69 1.138,70 17.972,71 6.254,72 20.665,73 8.676,74 0.286,75 1.232,76 20.623,77 7.401,78 30.445,79 10.428,80 0.573,81 1.268,82 26.257,83 7.591,84 53.61,85 11.444,86 0.342,87 1.049,88 24.487,89 7.666,90 36.32,91 11.503,92 0.32,93 0.9,94 19.306,95 6.515,96 31.15,97 8.933,98 0.346,99 0.896,100 18.158,101 5.96,102 31.885,103 8.542,104 21,105 36,106 0.282,107 0.635,108 0.755,109 0.842,110 0.858,111 0.882,112 3.229,113 0.852,114 -3.47,115 -3.45,116 -3.3,119 39.5,124 2,125 1,139 6,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 6,172 3,173 3,175 3,178 5,180 1,182 6,185 1,187 4,189 3,191 1,193 3,195 1,196 2,197 1,198 6,200 2,201 1,204 4,205 1,206 1,207 2,210 2,211 1,212 4,214 1,215 3,218 3,221 3,226 1,229 4,231 1,234 5,238 1,239 1,240 1,241 4,243 1,245 2,246 4,248 1,249 1,251 1,254 2,256 1,259 2,260 3,262 1,263 1,265 2,268 1,270 2,273 754,274 16.326,275 16.326,276 16.326,277 16.326,278 16.326,279 14.245,280 22.895,281 9.51,282 16.909,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.448,289 33.686,290 4.32,291 13.454,292 3.809,293 1.782,294 1.093,295 0.593,296 0.5,297 0.361,298 3.91,300 1,301 1,302 1,303 480,304 2.828,307 192.226,311 99.785,314 1.253,315 20.884,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 52.5,327 227,328 4.615,329 3.257,330 6.767,331 4.142,332 3.166,333 4.573,334 0.86,335 11.062,336 3.092,337 4.266,338 3.139,339 6.172,340 3.856,341 2.901,342 3.91,343 0.86,344 9.169,345 2.764,346 3.724,347 2.685,348 5.342,349 3.291,350 2.354,351 3.178,352 0.657,353 6.787,354 2.206,355 3.543,356 2.535,357 5.22,358 3.155,359 2.235,360 2.867,362 6.489,363 2.047,364 3.451,365 2.103,366 5.061,367 2.963,368 2.012,369 2.85,371 5.822,372 1.912,373 3.16,374 2.078,375 4.79,376 2.781,377 1.838,378 2.381,380 5.112,381 1.726,382 2.916,383 1.848,384 4.387,385 2.522,386 1.572,387 2.059,389 4.219,390 1.488,391 2.663,392 1.281,393 3.681,394 2.197,395 1.217,396 1.731,398 2.767,399 1.191,400 2.013,401 1.234,402 3.294,403 1.703,404 0.795,405 0.935,407 1.681,408 0.714,409 1.775,410 0.918,411 3.014,412 1.519,413 0.611,414 0.691,415 1.184,416 0.552,417 1.45,418 0.83,419 2.732,420 1.183,421 0.326,422 0.357,423 0.446,424 0.277,425 1.285,426 0.123,427 2.694,428 0.83,429 -0.106,430 -0.14,431 -0.274,432 -0.099,433 1.084,434 -0.025,435 2.513,436 0.702,437 -0.25,438 -0.314,439 -0.559,440 -0.236,441 0.842,442 -0.208,443 2.359,444 0.44,445 -0.478,446 -0.591,448 -1.083,449 -0.435,450 0.675,451 -0.326,452 2.215,453 0.305,454 -0.622,455 -0.744,457 -1.367,458 -0.571,459 11.167,460 0.465,461 0.554,462 0.023,463 34.5,464 1.438,465 18.5,466 0.771,467 16,468 0.667,469 16.005,470 0.667,471 26.033,472 0.605,473 25.31,474 1.055,475 7.151,476 0.298,477 4.466,478 0.186,479 0.161,481 0.358,485 1.062,486 1.282,487 0.818,488 1.053,489 1.234,490 0.901,491 1.184,492 0.871,493 0.804,494 0.813,495 0.74,496 0.769,497 1.067,498 1.236,499 0.951,500 1.061,501 0.918,502 0.993,503 0.879,504 1.43,505 1.091,506 1.371,507 0.789,508 1.296,509 0.961,510 0.894,511 1.221,512 1.013,513 1.246,514 1.123,515 0.848,516 0.814,517 0.868,518 0.87,519 0.788,520 0.865,521 1.243,522 0.882,523 0.909,524 0.906,525 0.973,526 0.876,527 0.908,528 1.061,529 0.941,530 1.091,531 0.853,532 1.038,533 5,534 0.103,535 2.667,536 2,537 1.511,538 0.708,539 0.429,540 0.309,541 0.288,542 0.195,543 5946,544 17088,545 2.04,546 44.2,548 14,551 5,555 1.671,556 1.895,557 3.201,558 2.661,559 1,560 1,562 1,564 69.522,565 1.617,566 3.644,567 4.333,568 4.833,569 4.926,570 5.066,571 2.584,572 3.772,573 4.561,574 3.338,575 921.239,576 7.88,577 10819.7,579 1,581 1,582 233.329,583 1.459,584 4.507,585 0.192,586 0.01,587 0.074,588 0.051,589 0.043,590 0.026,591 0.017,592 0.011,593 0.011,594 0.01,595 0.447,596 0.17,597 1,598 0.921,599 113.351,600 -0.147,601 -0.058,602 0.023,603 -0.002,604 -0.266,605 0.046,606 -0.032,607 0.217,608 0.125,609 0.21,610 0.142,611 0.186,612 -0.105,613 -0.11,614 -0.055,615 -0.043,616 -0.093,617 -0.039,618 0.004,619 -0.358,620 -0.187,621 -0.354,622 0.061,623 -0.326,624 -0.041,625 0.11,626 -0.241,627 -0.086,628 -0.211,629 -0.176,630 -0.026,631 0.07,632 0.138,633 0.114,634 0.032,635 0.158,636 -0.1,637 0.037,638 0.085,639 0.112,640 -0.01,641 0.124,642 0.138,643 -0.085,644 0.031,645 -0.097,646 0.104,647 -0.059,648 1.5,649 2.025,650 0.667,651 17.132,652 1.008,653 1.135,654 2.245,655 5.038,656 0.657,657 3.296,658 3.611,659 3.892,660 4.159,661 4.357,662 4.394,663 4.394,664 4.454,665 4.564,666 4.554,667 5.676,668 0.633,669 325.41,670 3.296,671 4.828,672 5.68,673 6.561,674 7.428,675 8.315,676 9.186,677 10.074,678 10.948,679 11.837,680 11.6,684 2,685 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,712 1,716 2,718 43,719 17,720 2,721 26,723 45,724 17,725 14,726 6,727 6,729 3,730 4,741 14,742 3,753 1,754 1,757 19,758 7,759 5,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 1,817 1,818 2,829 4.7,834 2,836 12.667,837 8.15,838 5.444,839 2.179,840 3.459,841 1.488,842 0.992,843 4.805,844 10.554,845 3.57,846 4.22,847 4.852,848 5.464,849 6.018,850 6.262,851 6.524,852 6.869,853 7.258,854 7.354,855 1,856 39,857 8.771,859 3.61,860 7.764,861 16.526,863 12.973,865 2.264,866 54.333,869 1,870 164.795,871 106.103,872 117.376,874 22,877 106.103,878 186.795,879 117.376,880 21.766,881 2.106,882 122.652,883 51.582,884 43.146,885 4.227,886 164.795,888 164.795,889 223.479,890 22,893 164.795,894 22,897 6.149,898 165.748,899 51.582,901 164.795,902 139.376,903 106.103,906 164.795,907 27.479,908 78.624,909 18.011,910 121.365,911 164.795,912 139.376,913 106.103,915 0.574,916 0.35,917 0.196,918 0.104,919 17,920 8,921 0.111,922 5,923 1,924 1.125,925 3.535,926 193.949,927 0.125,928 16,929 110.039,933 16.455,934 7.008,935 3.435,936 1.512,937 139.376,938 11.312,939 8.278,943 3.794,945 83.805,946 410.274,947 34.5,956 43.349,957 48.817,958 0.298,959 0.672,960 0.798,961 0.891,962 0.908,963 0.934,964 4.79,965 1.217,966 5.666,967 4.219,968 4.29,969 4.905,970 1.573,971 6.485,972 4.188,973 6.015,974 0.795,975 7.231,976 2.767,977 3.892,978 4.808,980 7.416,981 3.753,982 7.337,983 0.611,984 8.894,985 1.681,986 5.889,987 7.2,988 1.27,989 10.513,990 5.711,991 8.698,992 0.326,993 10.615,994 1.184,995 6.293,996 7.916,998 12.282,999 6.084,1000 10.09,1001 -0.106,1002 12.375,1003 0.446,1004 7.766,1005 9.795,1006 1.022,1007 14.91,1008 7.531,1009 11.504,1010 -0.25,1011 14.162,1012 -0.274,1013 8.555,1014 10.912,1016 17.04,1017 8.295,1018 12.937,1019 -0.478,1020 15.97,1021 -0.559,1022 9.818,1023 12.577,1024 0.818,1025 19.509,1026 9.536,1027 3.166,1028 -0.622,1029 17.795,1030 -1.083,1031 10.792,1032 13.895,1034 21.792,1035 10.487,1036 2.901,1037 11.062,1038 19.634,1039 -1.367,1040 11.971,1041 15.467,1042 0.65,1043 24.208,1044 11.646,1045 2.354,1046 9.169,1047 21.483,1048 4.573,1049 13.032,1050 16.885,1052 26.554,1053 12.685,1054 2.235,1055 6.787,1056 23.342,1057 3.91,1058 14.18,1059 18.419,1060 0.511,1061 28.953,1062 13.812,1063 2.012,1064 6.489,1065 25.208,1066 3.178,1067 15.281,1068 19.885,1070 31.328,1071 14.891,1072 1.838,1073 5.822,1074 27.081,1075 2.867,1076 16.419,1077 21.404,1078 0.399,1079 33.723,1080 16.009,1081 1.572,1082 5.112,1083 28.959,1084 2.85,1085 17.539,1086 22.894,1088 36.11,1089 17.107,1090 5872,1091 10059,1092 17.107,1093 28.267,1094 37.956,1095 38.975,1096 40.073,1097 37.975,1098 38.055,1099 51.067,1100 4.755,1101 109.476,1102 35.934,1103 5.456,1104 5.257,1105 6.336,1106 5.213,1107 5.166,1108 7.573,1109 1.72,1110 17.97,1111 5.092,1112 12.483,1113 1.46,1114 1.499,1115 1.541,1116 1.461,1117 1.464,1118 1.964,1119 0.183,1120 4.211,1121 1.382,1122 4.08,1123 4.114,1124 4.049,1125 3.992,1126 5.306,1127 4.001,1128 3.913,1129 3.933,1130 3.869,1131 3.817,1132 4.982,1133 3.826,1134 3.496,1135 3.568,1136 3.423,1137 3.288,1138 4.927,1139 3.315,1140 3.335,1141 3.39,1142 3.207,1143 3.119,1144 4.695,1145 3.126,1146 3.274,1147 3.344,1148 3.132,1149 3.016,1150 4.603,1151 3.037,1152 3.144,1153 3.235,1154 2.957,1155 2.868,1156 4.25,1157 2.86,1158 3.076,1159 3.194,1160 2.88,1161 2.801,1162 4.151,1163 2.817,1164 2.831,1165 2.909,1166 2.69,1167 2.654,1168 3.997,1169 2.656,1170 0.177,1171 0.125,1172 0.26,1173 0.159,1174 0.122,1175 4.615,1176 0.176,1177 3.257,1178 0.033,1179 6.767,1180 0.425,1181 4.142,1182 0.119,1183 3.166,1184 4.573,1185 0.86,1186 11.062,1187 3.092,1188 2.025,1189 1.999,1190 2.093,1191 2.135,1192 1.251,1193 2.122,1194 1.869,1195 1.851,1196 1.96,1197 1.993,1198 1.062,1199 1.982,1200 1.416,1201 1.349,1202 1.596,1203 1.666,1204 0.689,1205 1.649,1206 1.271,1207 1.208,1208 1.576,1209 1.57,1210 0.585,1211 1.573,1212 1.225,1213 1.159,1214 1.535,1215 1.497,1216 0.555,1217 1.511,1218 1.128,1219 1.035,1220 1.482,1221 1.416,1222 0.425,1223 1.447,1224 0.981,1225 0.886,1226 1.266,1227 1.362,1228 0.192,1229 1.35,1230 0.829,1231 0.751,1232 1.113,1233 1.038,1234 0.058,1235 1.062,1236 3.97,1238 5.283,1240 6.808,1242 8.435,1244 10.115,1246 3.248,1250 11.686,1252 0.526,1253 3.342,1254 10.636,1262 27.224,1263 69.522,1264 156.7,1265 186.31,1266 207.82,1267 211.82,1268 217.82,1269 32.947,1270 7.095,1271 108.31,1272 108.31,1273 18,1274 12.37,1275 4.17,1276 3.248,1277 39.183,1278 83,1279 76,1280 0.236,1281 170.205,1282 284.34,1283 407.06,1284 11096,1286 17.104,1287 0.713,1288 0.564,1289 17.104,1290 13.537,1291 11.618,1292 0.447,1293 0.284,1294 7.233,1295 11.04,1296 7.015,1297 5.878,1298 11.618,1299 7.386,1300 10.175,1301 0.283,1302 0.144,1303 10.175,1304 5.198,1305 8.633,1306 0.18,1307 0.078,1308 8.633,1309 3.731,1310 7.472,1311 0.119,1312 0.041,1313 7.472,1314 2.593,1315 5.728,1316 0.074,1317 0.022,1318 5.728,1319 1.667,1320 0.365,1321 73.785,1322 0.242,1323 23.176,1324 0.662,1325 124,1326 379.719,1327 137.861,1328 365.922,1329 505.54,1330 344,1331 146,1332 377.105,1333 159.363,1334 385.072,1335 558.89,1336 359,1337 5.301}
{0 CHEMBL35080,1 1.633,2 13.333,3 3.338,4 11.144,5 114.981,6 8.089,7 0.563,8 4.019,9 4.124,10 3.631,11 3.536,12 5.3,13 3.549,14 4.465,15 4.604,16 3.95,17 3.868,18 5.804,19 3.862,20 4.621,21 4.767,22 3.993,23 3.988,24 5.852,25 3.964,26 4.735,27 4.917,28 3.894,29 3.977,30 5.936,31 3.922,32 4.738,33 4.951,34 3.85,35 3.941,36 5.909,37 3.864,38 4.677,39 4.906,40 3.798,41 3.851,42 5.794,43 3.787,44 4.526,45 4.718,46 3.734,47 3.766,48 5.76,49 3.722,50 4.491,51 4.707,52 3.595,53 3.702,54 5.687,55 3.632,56 0.131,57 0.71,58 8.824,59 4.168,60 20.563,61 4.757,62 0.423,63 1.051,64 16.045,65 6.97,66 54.647,67 8.193,68 0.294,69 1.222,70 18.299,71 7.916,72 34.871,73 9.473,74 0.5,75 1.301,76 23.064,77 8.862,78 65.931,79 10.776,80 0.55,81 1.272,82 24.687,83 9.355,84 67.233,85 12.459,86 0.552,87 1.188,88 24.473,89 8.531,90 66.117,91 11.506,92 0.356,93 1.066,94 19.067,95 7.11,96 55.893,97 9.025,98 0.502,99 1.03,100 19.207,101 6.54,102 55.712,103 8.66,104 30,105 43,106 0.272,107 0.67,108 0.813,109 0.891,110 0.898,111 0.898,112 3.44,113 0.839,114 -4.06,115 -4.01,116 -3.8,119 44,121 1,124 1,125 1,138 2,139 7,140 4,141 2,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 12,167 1,169 1,170 8,172 3,173 4,175 2,178 13,179 2,180 1,182 10,187 3,189 11,190 1,191 1,193 7,194 1,195 1,196 1,197 1,198 3,200 2,201 8,202 1,204 2,205 1,206 1,207 6,210 1,212 3,215 7,218 2,220 2,221 7,223 1,224 1,226 3,229 6,230 1,231 3,234 6,239 4,241 7,242 1,243 3,245 1,246 4,248 1,249 1,251 4,254 9,255 1,256 3,260 1,265 3,268 8,269 2,270 2,273 1624,274 20.093,275 20.093,276 20.093,277 20.093,278 20.093,279 17.374,280 24.324,281 11.956,282 20.588,283 15.727,284 15.727,285 15.727,286 15.727,287 15.727,288 11.603,289 28.499,290 5.604,291 16.426,292 4.011,293 1.626,294 0.768,295 0.295,296 0.255,297 0.255,298 4.122,301 1,302 1,303 839,304 3.606,307 332.761,314 2.044,315 34.678,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 66,327 400,328 4.351,329 3.58,330 6.251,331 3.956,332 2.98,333 3.997,334 1.437,335 9.444,336 2.91,337 4.198,338 3.273,339 5.984,340 3.806,341 2.817,342 3.832,343 1.419,344 8.479,345 2.78,346 4.185,347 3.016,348 5.975,349 3.722,350 2.765,351 3.79,352 0.86,353 8.463,354 2.65,355 3.915,356 2.931,357 5.258,358 3.279,359 2.32,360 3.14,361 0.68,362 6.653,363 2.231,364 3.619,365 2.746,366 5.233,367 3.221,368 2.255,369 2.927,371 6.522,372 2.151,373 3.453,374 2.325,375 4.963,376 3.024,377 2.1,378 2.762,380 5.821,381 1.934,382 3.196,383 2.314,384 4.42,385 2.545,386 1.596,387 2.086,389 4.275,390 1.509,391 2.928,392 1.939,393 4.075,394 2.479,395 1.516,396 2.071,398 3.501,399 1.445,400 2.846,401 1.836,402 3.811,403 2.295,404 1.346,405 1.894,407 3.244,408 1.272,409 2.773,410 1.497,411 3.566,412 2.257,413 1.269,414 1.886,415 2.812,416 1.247,417 2.53,418 1.202,419 3.435,420 2.005,421 1,422 1.475,423 2.323,424 0.994,425 1.979,426 1.14,427 3.132,428 1.629,429 0.72,430 0.845,431 1.437,432 0.646,433 1.834,434 0.767,435 2.993,436 1.348,437 0.413,438 0.55,439 0.966,440 0.383,441 1.543,442 0.615,443 2.724,444 1.212,445 0.302,446 0.362,448 0.581,449 0.274,450 0.992,451 0.436,452 2.4,453 0.679,454 -0.254,455 -0.297,457 -0.496,458 -0.234,459 13.933,460 0.464,461 0.715,462 0.024,463 42.5,464 1.417,465 23.5,466 0.783,467 19,468 0.633,469 20.884,470 0.696,471 31.667,472 0.633,473 33.77,474 1.126,475 8.896,476 0.297,477 5.56,478 0.185,479 0.141,481 0.323,485 0.953,486 1.1,487 0.772,488 0.954,489 0.937,490 0.834,491 0.869,492 0.816,493 0.787,494 0.881,495 0.501,496 0.839,497 0.998,498 1.211,499 1.014,500 1.184,501 0.798,502 1.115,503 1.144,504 0.994,505 1.188,506 1.113,507 1.079,508 1.152,509 0.678,510 1.034,511 0.934,512 1.083,513 0.704,514 1.068,515 0.812,516 0.863,517 0.85,518 0.852,519 0.702,520 0.861,521 1.044,522 1.193,523 1.007,524 1.072,525 0.933,526 1.043,527 0.869,528 0.876,529 1.099,530 0.906,531 0.694,532 1.006,533 6.5,534 0.144,535 3.111,536 1.625,537 1.649,538 0.826,539 0.609,540 0.378,541 0.263,542 0.204,543 12734,544 41934,545 2.012,546 40,547 2,548 12,550 1,551 5,555 1.725,556 1.875,557 3.688,558 2.419,559 1,560 1,564 81.647,565 1.633,566 4.018,567 4.876,568 5.349,569 5.389,570 5.389,571 3.115,572 4.574,573 4.88,574 3.887,575 1690.71,576 8.49,577 25104.9,579 1,581 1,582 282.193,583 1.436,584 4.831,585 0.203,586 0.006,587 0.072,588 0.037,589 0.043,590 0.023,591 0.017,592 0.011,593 0.009,594 0.008,595 0.431,596 0.17,597 1,598 0.855,599 157.948,600 -0.142,601 0.036,602 -0.004,603 0.051,604 -0.196,605 0.062,606 0.092,607 0.234,608 0.08,609 0.126,610 0.21,611 0.097,612 -0.138,613 -0.162,614 -0.158,615 -0.181,616 -0.069,617 -0.172,618 -0.167,619 0.006,620 -0.247,621 -0.128,622 -0.153,623 -0.192,624 0.14,625 -0.088,626 0.043,627 -0.074,628 0.078,629 -0.039,630 0.072,631 0.082,632 0.167,633 0.14,634 0.02,635 0.165,636 -0.133,637 -0.202,638 -0.056,639 -0.085,640 -0.053,641 -0.063,642 -0.011,643 0.148,644 -0.127,645 0.052,646 -0.032,647 -0.03,648 2.676,649 4.005,650 0.6,651 33.076,652 1.016,653 1.123,654 2.833,655 8.028,656 0.679,657 3.497,658 3.784,659 3.989,660 4.174,661 4.382,662 4.357,663 4.369,664 4.369,665 4.454,666 4.477,667 7.941,668 0.663,669 404.46,670 3.497,671 5.017,672 5.838,673 6.688,674 7.526,675 8.378,676 9.222,677 10.075,678 10.921,679 11.775,680 8,684 2,690 2,695 8,696 2,700 8,702 18,709 1,711 2,716 2,718 50,719 20,720 2,721 32,723 52,724 22,725 16,726 5,727 7,728 1,729 3,730 3,739 1,740 2,741 17,742 3,744 1,748 1,751 1,754 1,757 20,758 8,759 5,760 8,764 4,769 1,770 4,776 1,781 3,788 2,800 1,802 3,806 1,810 30,811 2,815 1,816 2,818 2,823 1,827 2,829 8,831 1,832 1,834 2,836 16,837 9.183,838 6.75,839 2.579,840 4.269,841 1.583,842 0.956,843 6.995,844 11.595,845 3.807,846 4.388,847 4.925,848 5.435,849 5.977,850 6.12,851 6.423,852 6.683,853 7.062,854 7.443,855 0.889,856 44,857 10.977,859 4.54,860 8,861 20.243,863 15.677,865 2.5,866 75,868 1,869 1,870 176.567,871 155.818,872 99.365,874 89.828,877 155.818,878 266.395,879 99.365,880 10.883,881 7.127,882 132.128,883 114.08,884 54.276,885 38.288,886 164.795,888 176.567,889 255.184,890 89.828,893 176.567,894 89.828,897 18.073,898 169.478,899 67.632,901 176.567,902 189.193,903 155.818,906 176.567,907 35.493,908 86.264,909 34.061,910 189.193,911 176.567,912 189.193,913 155.818,915 0.574,916 0.329,917 0.169,918 0.094,919 18,920 9,921 0.115,922 6,924 1,925 4.205,926 246.388,928 18,929 147.207,933 21.284,934 9.859,935 5.791,937 189.193,938 13.399,939 7.962,943 4.107,945 108.478,946 521.578,947 44,951 11.005,954 -1.01,956 50.785,957 56.152,958 0.289,959 0.712,960 0.864,961 0.948,962 0.955,963 0.955,964 5.027,965 1.516,966 5.808,967 4.275,968 4.466,969 5.075,970 2.447,971 6.558,972 4.389,973 6.248,974 1.346,975 7.335,976 3.501,977 4.007,978 4.796,980 7.338,981 3.904,982 7.552,983 1.269,984 8.957,985 3.244,986 6.009,987 7.25,988 2.952,989 10.369,990 5.875,991 8.888,992 1,993 10.633,994 2.812,995 6.33,996 7.73,998 11.931,999 6.171,1000 10.248,1001 0.72,1002 12.343,1003 2.323,1004 7.804,1005 9.664,1006 3.581,1007 14.466,1008 7.625,1009 11.626,1010 0.413,1011 14.075,1012 1.437,1013 8.494,1014 10.521,1016 16.367,1017 8.292,1018 13.017,1019 0.302,1020 15.824,1021 0.966,1022 9.741,1023 12.205,1024 4.26,1025 18.711,1026 9.52,1027 2.98,1028 -0.254,1029 17.584,1030 0.581,1031 10.616,1032 13.272,1034 20.772,1035 10.373,1036 2.817,1037 9.444,1038 19.353,1039 -0.496,1040 11.759,1041 14.818,1042 4.959,1043 23.038,1044 11.498,1045 2.765,1046 8.479,1047 21.13,1048 3.997,1049 12.728,1050 16.007,1052 25.177,1053 12.444,1054 2.32,1055 8.463,1056 22.912,1057 3.832,1058 13.825,1059 17.476,1060 5.666,1061 27.412,1062 13.523,1063 2.255,1064 6.653,1065 24.699,1066 3.79,1067 14.841,1068 18.736,1070 29.591,1071 14.517,1072 2.1,1073 6.522,1074 26.49,1075 3.14,1076 15.919,1077 20.161,1078 6.376,1079 31.815,1080 15.575,1081 1.596,1082 5.821,1083 28.285,1084 2.927,1085 16.96,1086 21.464,1088 34.014,1089 16.594,1090 12455,1091 22744,1092 20.978,1093 33.932,1094 48.205,1095 48.471,1096 48.395,1097 46.782,1098 46.799,1099 63.231,1100 8.791,1101 129.045,1102 44.855,1103 5.131,1104 5.58,1105 5.937,1106 5.025,1107 4.98,1108 6.997,1109 2.873,1110 15.9,1111 4.91,1112 16.826,1113 1.506,1114 1.515,1115 1.512,1116 1.462,1117 1.462,1118 1.976,1119 0.275,1120 4.033,1121 1.402,1122 4,1123 4.027,1124 3.955,1125 3.928,1126 7.475,1127 3.93,1128 3.916,1129 3.933,1130 3.867,1131 3.838,1132 6.351,1133 3.841,1134 3.812,1135 3.857,1136 3.776,1137 3.665,1138 5.291,1139 3.687,1140 3.478,1141 3.499,1142 3.413,1143 3.35,1144 4.981,1145 3.36,1146 3.282,1147 3.306,1148 3.23,1149 3.03,1150 4.949,1151 3.073,1152 3.223,1153 3.288,1154 3.077,1155 2.991,1156 4.811,1157 3.002,1158 3.18,1159 3.235,1160 3.025,1161 2.937,1162 4.633,1163 2.945,1164 3.002,1165 3.124,1166 2.845,1167 2.749,1168 4.447,1169 2.745,1170 0.136,1171 0.112,1172 0.195,1173 0.124,1174 0.093,1175 4.351,1176 0.125,1177 3.58,1178 0.045,1179 6.251,1180 0.295,1181 3.956,1182 0.091,1183 2.98,1184 3.997,1185 1.437,1186 9.444,1187 2.91,1188 1.953,1189 1.934,1190 2.041,1191 2.05,1192 1.215,1193 2.045,1194 1.89,1195 1.873,1196 1.989,1197 1.992,1198 1.07,1199 1.989,1200 1.745,1201 1.703,1202 1.83,1203 1.916,1204 0.885,1205 1.895,1206 1.432,1207 1.407,1208 1.611,1209 1.613,1210 0.668,1211 1.608,1212 1.18,1213 1.13,1214 1.542,1215 1.494,1216 0.571,1217 1.508,1218 1.154,1219 1.092,1220 1.395,1221 1.429,1222 0.404,1223 1.418,1224 1.103,1225 1.067,1226 1.245,1227 1.391,1228 0.227,1229 1.342,1230 0.909,1231 0.836,1232 1.235,1233 1.292,1234 0.15,1235 1.293,1236 4.174,1238 5.468,1240 6.95,1242 8.518,1244 10.13,1246 1.589,1250 11.476,1251 9.019,1252 0.576,1254 10.933,1261 5.944,1262 33.159,1263 81.647,1264 200.89,1265 243.786,1266 267.438,1267 269.438,1268 269.438,1269 57.956,1270 7.326,1271 133.58,1272 133.58,1273 18,1274 12.331,1275 4.392,1276 3.7,1277 55.586,1278 143,1279 128,1280 0.184,1281 207.655,1282 366.86,1283 498.439,1284 16450,1286 21.51,1287 0.717,1288 0.542,1289 21.51,1290 16.254,1291 14.457,1292 0.452,1293 0.28,1294 8.793,1295 13.819,1296 8.567,1297 7.15,1298 14.457,1299 8.948,1300 12.82,1301 0.298,1302 0.146,1303 12.82,1304 6.266,1305 10.228,1306 0.193,1307 0.079,1308 10.228,1309 4.203,1310 8.046,1311 0.126,1312 0.043,1313 8.046,1314 2.747,1315 6.411,1316 0.081,1317 0.023,1318 6.411,1319 1.781,1320 0.299,1321 91.358,1322 0.218,1323 28.982,1324 0.479,1325 150,1326 511.271,1327 166.9,1328 492.464,1329 659.12,1330 458,1331 171,1332 471.638,1333 185.963,1334 481.127,1335 690.85,1336 448,1337 4.854}
{0 CHEMBL35222,1 1.667,2 10.815,3 1.697,4 2.878,5 103.245,6 7.56,7 0.586,8 4.008,9 4.134,10 3.576,11 3.415,12 5.205,13 3.439,14 4.503,15 4.691,16 3.911,17 3.756,18 5.632,19 3.775,20 4.591,21 4.731,22 4.073,23 3.942,24 5.762,25 3.947,26 4.819,27 5.003,28 4.064,29 4.034,30 5.957,31 3.993,32 4.949,33 5.171,34 3.895,35 4.046,36 5.948,37 3.965,38 4.885,39 5.123,40 3.734,41 3.976,42 5.815,43 3.859,44 4.858,45 5.149,46 3.619,47 3.844,48 5.747,49 3.721,50 4.643,51 4.918,52 3.576,53 3.673,54 5.563,55 3.583,56 0.109,57 0.738,58 10.207,59 3.709,60 13.106,61 5.122,62 0.508,63 1.065,64 19.911,65 5.982,66 35.829,67 8.138,68 0.429,69 1.272,70 19.26,71 6.756,72 22.787,73 9.395,74 0.583,75 1.42,76 26.256,77 9.014,78 46.661,79 12.556,80 0.813,81 1.444,82 32.661,83 9.648,84 58.171,85 13.734,86 0.598,87 1.337,88 30.645,89 9.652,90 46.196,91 14.214,92 0.661,93 1.212,94 32.035,95 8.682,96 57.143,97 13.762,98 0.478,99 0.999,100 25.421,101 7.266,102 37.121,103 11.295,104 46,105 41,106 0.283,107 0.623,108 0.753,109 0.8,110 0.816,111 0.866,112 3.34,113 0.844,114 -2.64,115 -2.66,116 -2.59,119 36.7,124 4,125 1,139 3,140 2,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 7,172 3,173 3,175 1,178 1,180 1,181 3,182 9,187 1,191 1,192 3,193 4,195 3,196 3,197 1,198 1,200 2,201 1,204 1,205 1,206 3,207 1,209 1,210 1,212 1,215 2,218 1,220 1,221 2,229 2,233 1,234 5,236 1,237 1,239 1,241 1,243 1,245 1,246 4,251 1,256 1,259 3,260 3,262 1,263 1,265 2,270 2,273 1043,274 18.196,275 18.196,276 18.196,277 18.196,278 18.196,279 16.132,280 25.218,281 10.38,282 19.034,283 14.074,284 14.074,285 14.074,286 14.074,287 14.074,288 10.767,289 32.919,290 4.592,291 15.152,292 3.948,293 1.94,294 1.174,295 0.899,296 0.802,297 0.511,298 4.018,300 1,301 1,302 1,303 613,304 3.391,307 238.327,311 124.513,314 1.553,315 25.656,317 1,318 1,319 0.83,320 1,321 1,323 1,324 1,325 0.83,326 60,327 292,328 4.551,329 3.45,330 6.693,331 4.094,332 3.142,333 4.495,334 0.916,335 10.815,336 2.991,337 4.476,338 3.179,339 6.519,340 4.04,341 3.085,342 4.165,343 0.86,344 10.233,345 2.944,346 3.937,347 2.959,348 6.003,349 3.622,350 2.69,351 3.339,352 0.86,353 8.509,354 2.505,355 3.623,356 2.67,357 5.658,358 3.244,359 2.301,360 2.965,361 0.86,362 7.373,363 2.164,364 3.448,365 2.272,366 5.065,367 3.01,368 2.091,369 2.811,370 0.172,371 5.911,372 1.917,373 3.416,374 2.18,375 5.012,376 2.909,377 1.991,378 2.763,380 5.793,381 1.825,382 3.122,383 2.063,384 4.769,385 2.728,386 1.792,387 2.328,389 4.976,390 1.666,391 2.563,392 1.874,393 4.128,394 2.234,395 1.3,396 1.578,398 3.444,399 1.211,400 2.43,401 1.414,402 3.709,403 1.941,404 1.046,405 1.404,407 2.565,408 0.938,409 2.106,410 1.083,411 3.614,412 1.874,413 1,414 1.089,415 2.046,416 0.861,417 1.803,418 1.055,419 3.068,420 1.516,421 0.614,422 0.704,423 1.141,424 0.547,425 1.385,426 0.913,427 2.758,428 1.13,429 0.289,430 0.311,431 0.363,432 0.241,433 1.364,434 0.381,435 2.607,436 0.935,437 0.021,438 0.026,439 0.048,440 0.019,441 1.012,442 0.079,443 2.494,444 0.743,445 -0.175,446 -0.201,448 -0.335,449 -0.159,450 0.959,451 0.038,452 2.484,453 0.467,454 -0.448,455 -0.578,457 -1.012,458 -0.408,459 12.4,460 0.459,461 0.695,462 0.026,463 37.75,464 1.398,465 19,466 0.704,467 18.75,468 0.694,469 20.361,470 0.754,471 30.2,472 0.616,473 29.977,474 1.11,475 7.893,476 0.292,477 5.084,478 0.188,479 0.226,481 0.395,485 1.024,486 1.555,487 0.799,488 1.259,489 1.158,490 1.009,491 1.329,492 0.729,493 0.767,494 0.606,495 0.839,496 0.584,497 0.872,498 1.392,499 0.886,500 1.215,501 0.783,502 1.067,503 0.885,504 1.203,505 1.02,506 1.294,507 0.756,508 1.213,509 1.333,510 0.908,511 1.256,512 1.031,513 1.206,514 1.128,515 1.024,516 1.123,517 1.164,518 1.207,519 0.939,520 1.23,521 0.863,522 0.75,523 0.935,524 0.83,525 0.911,526 0.879,527 0.839,528 0.911,529 0.762,530 0.859,531 0.656,532 0.809,533 6,534 0.206,535 3.778,536 2.313,537 2.302,538 1.132,539 0.486,540 0.448,541 0.283,542 0.238,543 8137,544 24479,545 1.992,546 44.9,548 17,550 1,551 4,555 1.701,556 1.82,557 3.384,558 1.771,559 1,560 1,564 81.69,565 1.667,566 3.674,567 4.44,568 4.716,569 4.813,570 5.104,571 2.852,572 4.607,573 4.729,574 3.525,575 1237.38,576 8.211,577 15699.5,579 1,581 1,582 275.121,583 1.541,584 4.659,585 0.207,586 0.01,587 0.092,588 0.049,589 0.052,590 0.031,591 0.016,592 0.017,593 0.01,594 0.01,595 0.495,596 0.17,597 1,598 1.011,599 133.261,600 -0.124,601 -0.283,602 0.046,603 -0.149,604 -0.216,605 -0.026,606 -0.114,607 0.356,608 0.202,609 0.393,610 0.095,611 0.361,612 0.092,613 -0.169,614 -0.015,615 -0.128,616 0.038,617 -0.09,618 0.096,619 -0.113,620 -0.099,621 -0.244,622 0.135,623 -0.225,624 -0.21,625 0.071,626 -0.273,627 -0.044,628 -0.246,629 -0.16,630 -0.114,631 -0.18,632 -0.2,633 -0.181,634 -0.134,635 -0.212,636 -0.021,637 0.12,638 0.079,639 0.117,640 -0.027,641 0.126,642 0.039,643 -0.048,644 0.247,645 0.126,646 0.162,647 0.216,648 1.566,649 2.048,650 0.593,651 22.45,652 1.014,653 1.142,654 1.415,655 2.002,656 0.643,657 3.401,658 3.738,659 4.043,660 4.304,661 4.511,662 4.543,663 4.585,664 4.654,665 4.7,666 4.736,667 6.28,668 0.622,669 370.46,670 3.401,671 4.949,672 5.814,673 6.706,674 7.586,675 8.479,676 9.364,677 10.257,678 11.143,679 12.036,680 12.2,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,716 3,718 49,719 17,720 1,721 29,723 51,724 18,725 13,726 4,727 2,729 3,730 4,741 13,742 5,753 1,754 1,757 22,758 9,759 4,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 4,810 27,811 2,816 1,818 3,821 1,829 6.1,834 3,836 14.833,837 10.05,838 6.167,839 2.424,840 3.368,841 1.461,842 0.962,843 5.723,844 10.668,845 3.651,846 4.304,847 4.943,848 5.542,849 6.113,850 6.379,851 6.683,852 7.009,853 7.37,854 7.491,855 1,856 47,857 9.868,859 4.028,860 7.796,861 18.487,863 14.291,865 2.296,866 62,870 211.88,871 110.815,872 119.275,874 33,877 110.815,878 244.879,879 119.275,880 41.046,881 2.106,882 94.223,883 62.128,884 71.132,885 4.227,886 200.109,888 211.88,889 230.091,890 33,893 213.595,894 33,897 13.052,898 164.966,899 50.357,901 211.88,902 152.275,903 110.815,906 211.88,907 32.294,908 81.646,910 149.151,911 211.88,912 152.275,913 110.815,915 0.579,916 0.365,917 0.206,918 0.108,919 19,920 10,921 0.118,922 6,923 1,924 1.125,925 3.702,926 230.357,927 0.125,928 16,929 128.382,933 19.261,934 8.022,935 3.793,936 1.105,937 152.275,938 7.368,939 12.428,943 3.95,945 65.794,946 474.97,947 37.5,956 49.662,957 55.94,958 0.297,959 0.654,960 0.791,961 0.84,962 0.857,963 0.909,964 4.892,965 1.3,966 5.82,967 4.976,968 4.419,969 4.99,970 1.938,971 6.671,972 4.286,973 6.126,974 1.046,975 7.412,976 3.444,977 4.111,978 4.956,979 0.325,980 7.662,981 3.937,982 7.459,983 1,984 9.1,985 2.565,986 6.057,987 7.287,988 1.656,989 10.756,990 5.822,991 8.83,992 0.614,993 10.844,994 2.046,995 6.538,996 8.042,997 0.393,998 12.53,999 6.257,1000 10.23,1001 0.289,1002 12.621,1003 1.141,1004 7.976,1005 9.881,1006 1.418,1007 15.155,1008 7.649,1009 11.652,1010 0.021,1011 14.422,1012 0.363,1013 8.813,1014 11.007,1015 0.384,1016 17.257,1017 8.436,1018 13.089,1019 -0.175,1020 16.24,1021 0.048,1022 10.057,1023 12.645,1024 1.207,1025 19.716,1026 9.639,1027 3.142,1028 -0.448,1029 18.07,1030 -0.335,1031 11.056,1032 13.955,1033 0.351,1034 21.961,1035 10.589,1036 3.085,1037 10.815,1038 19.909,1039 -1.012,1040 12.226,1041 15.506,1042 1.019,1043 24.358,1044 11.717,1045 2.69,1046 10.233,1047 21.757,1048 4.495,1049 13.298,1050 16.906,1051 0.312,1052 26.666,1053 12.739,1054 2.301,1055 8.509,1056 23.611,1057 4.165,1058 14.44,1059 18.419,1060 0.852,1061 29.04,1062 13.839,1063 2.091,1064 7.373,1065 25.471,1066 3.339,1067 15.545,1068 19.863,1069 0.273,1070 31.377,1071 14.895,1072 1.991,1073 5.911,1074 27.334,1075 2.965,1076 16.679,1077 21.36,1078 0.706,1079 33.743,1080 15.985,1081 1.792,1082 5.793,1083 29.202,1084 2.811,1085 17.798,1086 22.827,1087 0.236,1088 36.095,1089 17.056,1090 8072,1091 14128,1092 18.611,1093 31.489,1094 42.829,1095 43.955,1096 46.266,1097 42.615,1098 42.724,1099 55.953,1100 7.338,1101 126.433,1102 39.658,1103 5.391,1104 5.45,1105 6.243,1106 5.17,1107 5.142,1108 7.495,1109 1.776,1110 18.041,1111 4.991,1112 16.416,1113 1.477,1114 1.516,1115 1.595,1116 1.469,1117 1.473,1118 1.929,1119 0.253,1120 4.36,1121 1.368,1122 4.061,1123 4.103,1124 4.036,1125 3.932,1126 5.325,1127 3.952,1128 3.935,1129 3.949,1130 3.901,1131 3.834,1132 4.983,1133 3.847,1134 3.57,1135 3.64,1136 3.499,1137 3.349,1138 4.97,1139 3.378,1140 3.326,1141 3.388,1142 3.211,1143 3.086,1144 4.816,1145 3.108,1146 3.277,1147 3.341,1148 3.113,1149 2.993,1150 4.578,1151 3.009,1152 3.216,1153 3.297,1154 3.017,1155 2.93,1156 4.465,1157 2.934,1158 3.168,1159 3.256,1160 3.002,1161 2.89,1162 4.297,1163 2.885,1164 3.108,1165 3.223,1166 2.944,1167 2.811,1168 4.164,1169 2.848,1170 0.157,1171 0.119,1172 0.231,1173 0.141,1174 0.108,1175 4.551,1176 0.155,1177 3.45,1178 0.032,1179 6.693,1180 0.373,1181 4.094,1182 0.103,1183 3.142,1184 4.495,1185 0.916,1186 10.815,1187 2.991,1188 1.973,1189 1.94,1190 2.035,1191 2.125,1192 1.198,1193 2.099,1194 1.883,1195 1.869,1196 1.958,1197 2.008,1198 1.066,1199 1.993,1200 1.487,1201 1.42,1202 1.692,1203 1.745,1204 0.779,1205 1.73,1206 1.251,1207 1.191,1208 1.588,1209 1.559,1210 0.587,1211 1.564,1212 1.214,1213 1.145,1214 1.572,1215 1.522,1216 0.577,1217 1.535,1218 1.17,1219 1.082,1220 1.546,1221 1.493,1222 0.565,1223 1.505,1224 1.142,1225 1.048,1226 1.432,1227 1.431,1228 0.461,1229 1.457,1230 0.997,1231 0.898,1232 1.295,1233 1.376,1234 0.331,1235 1.356,1236 4.078,1238 5.407,1240 6.95,1242 8.592,1244 10.285,1246 6.701,1250 11.573,1252 0.548,1254 16.321,1257 2.006,1262 30.487,1263 81.69,1264 180.043,1265 217.572,1266 231.082,1267 235.837,1268 250.101,1269 42.701,1270 7.3,1271 121.64,1272 121.64,1273 18,1274 12.564,1275 4.17,1276 3.248,1277 47.001,1278 103,1279 97,1280 0.227,1281 190.588,1282 321.43,1283 456.794,1284 13867,1286 19.552,1287 0.724,1288 0.581,1289 19.552,1290 15.685,1291 12.977,1292 0.447,1293 0.281,1294 7.935,1295 12.156,1296 7.616,1297 6.425,1298 12.977,1299 8.158,1300 11.414,1301 0.278,1302 0.143,1303 11.414,1304 5.881,1305 9.914,1306 0.177,1307 0.075,1308 9.914,1309 4.218,1310 8.528,1311 0.117,1312 0.04,1313 8.528,1314 2.885,1315 6.647,1316 0.074,1317 0.021,1318 6.647,1319 1.903,1320 0.355,1321 83.716,1322 0.232,1323 25.703,1324 0.629,1325 140,1326 466.412,1327 158.877,1328 440.551,1329 604.23,1330 414,1331 167,1332 446.89,1333 187.208,1334 456.383,1335 664.26,1336 421,1337 7.523}
{0 CHEMBL35437,1 1.633,2 12.667,3 3.338,4 11.144,5 114.981,6 8.089,7 0.563,8 4.019,9 4.124,10 3.631,11 3.536,12 5.301,13 3.549,14 4.465,15 4.604,16 3.95,17 3.868,18 5.8,19 3.862,20 4.621,21 4.767,22 4.014,23 3.989,24 5.846,25 3.97,26 4.744,27 4.915,28 3.955,29 3.989,30 6.024,31 3.943,32 4.756,33 4.965,34 3.841,35 3.967,36 5.888,37 3.891,38 4.727,39 4.96,40 3.804,41 3.864,42 5.901,43 3.799,44 4.491,45 4.691,46 3.724,47 3.757,48 5.681,49 3.707,50 4.472,51 4.678,52 3.619,53 3.71,54 5.646,55 3.648,56 0.131,57 0.71,58 8.824,59 4.168,60 20.58,61 4.757,62 0.423,63 1.051,64 16.045,65 6.97,66 54.633,67 8.193,68 0.281,69 1.222,70 18.281,71 7.915,72 35.68,73 9.495,74 0.661,75 1.306,76 23.088,77 8.838,78 71.731,79 10.697,80 0.421,81 1.3,82 24.757,83 9.525,84 63.41,85 12.34,86 0.636,87 1.221,88 26.488,89 8.901,90 85.399,91 11.913,92 0.275,93 1.051,94 18.209,95 7.021,96 41.373,97 9.262,98 0.491,99 1.021,100 18.426,101 6.37,102 50.998,103 8.319,104 30,105 43,106 0.272,107 0.67,108 0.806,109 0.885,110 0.898,111 0.898,112 3.44,113 0.839,114 -4.06,115 -4.01,116 -3.8,119 44,121 1,124 1,125 1,138 2,139 7,140 4,141 2,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 12,167 1,169 1,170 8,172 3,173 4,175 2,178 13,179 1,180 1,182 9,183 1,187 2,189 11,190 2,191 1,192 1,193 8,195 1,196 2,197 1,198 4,200 2,201 8,202 1,204 2,205 1,207 6,212 3,215 7,216 1,218 2,220 2,221 8,223 1,224 1,226 4,229 6,230 1,231 3,234 6,239 4,241 7,242 1,243 3,245 1,246 4,248 1,249 1,251 4,254 9,255 2,256 3,260 2,265 4,268 8,269 2,270 2,273 1588,274 20.146,275 20.146,276 20.146,277 20.146,278 20.146,279 17.398,280 24.324,281 12.012,282 20.633,283 15.721,284 15.721,285 15.721,286 15.721,287 15.721,288 11.586,289 29.096,290 5.599,291 16.41,292 4.011,293 1.626,294 0.808,295 0.335,296 0.255,297 0.255,298 4.122,301 1,302 1,303 796,304 3.606,307 329.206,314 2.044,315 35.278,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 66,327 380,328 4.352,329 3.619,330 6.403,331 3.956,332 2.98,333 3.997,334 1.437,335 9.738,336 2.911,337 4.317,338 3.273,339 6.251,340 3.937,341 2.958,342 3.928,343 1.419,344 9.444,345 2.89,346 4.188,347 3.01,348 5.984,349 3.722,350 2.765,351 3.832,352 0.86,353 8.479,354 2.65,355 3.912,356 2.929,357 5.253,358 3.26,359 2.282,360 3.136,361 0.68,362 6.648,363 2.226,364 3.454,365 2.751,366 4.963,367 3.025,368 2.101,369 2.762,371 5.821,372 1.935,373 3.377,374 2.331,375 4.912,376 2.968,377 2.006,378 2.598,380 5.327,381 1.909,382 3.198,383 2.322,384 4.42,385 2.553,386 1.599,387 2.168,389 4.275,390 1.518,391 2.928,392 1.937,393 4.075,394 2.543,395 1.584,396 2.074,398 3.501,399 1.509,400 2.919,401 1.609,402 3.789,403 2.299,404 1.349,405 1.953,407 3.337,408 1.279,409 2.773,410 1.495,411 3.551,412 2.279,413 1.299,414 1.888,415 2.825,416 1.266,417 2.532,418 1.315,419 3.466,420 2.005,421 1,422 1.476,423 2.304,424 0.994,425 1.995,426 1.144,427 3.132,428 1.631,429 0.721,430 0.849,431 1.439,432 0.648,433 1.839,434 0.784,435 2.993,436 1.361,437 0.426,438 0.568,439 0.981,440 0.394,441 1.543,442 0.615,443 2.723,444 1.219,445 0.306,446 0.365,448 0.594,449 0.278,450 1.037,451 0.468,452 2.394,453 0.724,454 -0.219,455 -0.256,457 -0.436,458 -0.204,459 13.933,460 0.464,461 0.698,462 0.023,463 42.5,464 1.417,465 23.5,466 0.783,467 19,468 0.633,469 21.046,470 0.702,471 31.667,472 0.633,473 34.016,474 1.134,475 8.912,476 0.297,477 5.562,478 0.185,479 0.141,481 0.323,485 0.953,486 1.1,487 0.772,488 0.954,489 0.936,490 0.834,491 0.869,492 0.816,493 0.787,494 0.881,495 0.51,496 0.839,497 0.979,498 1.211,499 0.966,500 1.178,501 0.8,502 1.085,503 1.046,504 0.978,505 1.157,506 1.097,507 0.943,508 1.141,509 0.91,510 1.076,511 1.036,512 1.133,513 0.972,514 1.119,515 0.943,516 0.808,517 0.882,518 0.794,519 0.95,520 0.824,521 0.782,522 1.22,523 0.884,524 1.095,525 0.521,526 1.027,527 0.888,528 0.876,529 1.105,530 0.901,531 0.756,532 1.003,533 6,534 0.165,535 3.333,536 1.875,537 1.649,538 0.826,539 0.568,540 0.41,541 0.288,542 0.194,543 12458,544 40686,545 2.012,546 40,547 2,548 12,550 1,551 5,555 1.726,556 1.875,557 3.604,558 2.419,559 1,560 1,564 81.647,565 1.633,566 4.018,567 4.836,568 5.309,569 5.389,570 5.389,571 3.086,572 4.574,573 4.881,574 3.834,575 1667.85,576 8.497,577 24591.6,579 1,581 1,582 282.193,583 1.436,584 4.831,585 0.188,586 0.007,587 0.078,588 0.042,589 0.041,590 0.023,591 0.016,592 0.012,593 0.01,594 0.007,595 0.423,596 0.17,597 1,598 0.855,599 157.332,600 -0.142,601 0.036,602 -0.004,603 0.051,604 -0.194,605 0.062,606 0.092,607 0.234,608 0.08,609 0.126,610 0.201,611 0.097,612 -0.118,613 -0.162,614 -0.109,615 -0.175,616 -0.071,617 -0.143,618 0.003,619 0.026,620 -0.217,621 -0.115,622 -0.005,623 -0.195,624 -0.077,625 -0.127,626 -0.068,627 -0.124,628 -0.097,629 -0.098,630 0.027,631 0.117,632 0.162,633 0.193,634 -0.001,635 0.202,636 -0.035,637 -0.221,638 0.05,639 -0.099,640 0.07,641 -0.025,642 -0.023,643 0.162,644 -0.149,645 0.056,646 -0.097,647 -0.039,648 2.718,649 4.214,650 0.6,651 31.796,652 1.016,653 1.123,654 2.833,655 8.028,656 0.679,657 3.497,658 3.784,659 4.007,660 4.205,661 4.382,662 4.344,663 4.344,664 4.382,665 4.477,666 4.489,667 7.739,668 0.663,669 404.46,670 3.497,671 5.017,672 5.844,673 6.698,674 7.541,675 8.398,676 9.245,677 10.103,678 10.953,679 11.81,680 8,684 2,690 2,695 8,696 2,700 8,702 18,709 1,711 2,716 2,718 50,719 20,720 2,721 32,723 52,724 22,725 16,726 5,727 7,728 1,729 3,730 3,739 1,740 2,741 17,742 3,744 1,748 1,751 1,754 1,757 20,758 8,759 5,760 8,764 4,769 1,770 4,776 1,781 3,788 2,800 1,802 3,806 1,810 30,811 2,815 1,816 2,818 2,823 1,827 2,829 8,831 1,832 1,834 2,836 16,837 9.183,838 6.778,839 2.586,840 4.358,841 1.595,842 0.956,843 6.995,844 11.685,845 3.807,846 4.388,847 4.936,848 5.452,849 5.969,850 6.109,851 6.41,852 6.695,853 7.079,854 7.44,855 1,856 45,857 10.988,859 4.555,860 8,861 20.243,863 15.681,865 2.5,866 75,868 1,869 1,870 176.567,871 155.818,872 99.365,874 89.828,877 155.818,878 266.395,879 99.365,880 10.883,881 7.127,882 132.128,883 114.08,884 54.276,885 38.288,886 164.795,888 176.567,889 255.184,890 89.828,893 176.567,894 89.828,897 18.073,898 169.478,899 67.632,901 176.567,902 189.193,903 155.818,906 176.567,907 35.493,908 86.264,909 34.061,910 189.193,911 176.567,912 189.193,913 155.818,915 0.573,916 0.334,917 0.177,918 0.094,919 18,920 9,921 0.115,922 6,924 1,925 4.173,926 248.41,928 18,929 147.207,933 21.284,934 9.859,935 5.565,937 189.193,938 13.522,939 7.956,943 3.809,945 108.478,946 521.578,947 44,951 11.214,954 -1.052,956 50.785,957 56.152,958 0.289,959 0.712,960 0.857,961 0.941,962 0.955,963 0.955,964 5.027,965 1.584,966 5.814,967 4.275,968 4.466,969 5.075,970 2.447,971 6.581,972 4.389,973 6.248,974 1.349,975 7.351,976 3.501,977 4.007,978 4.796,980 7.416,981 3.904,982 7.554,983 1.299,984 8.987,985 3.337,986 6.019,987 7.256,988 2.952,989 10.471,990 5.884,991 8.894,992 1,993 10.681,994 2.825,995 6.365,996 7.759,998 12.123,999 6.204,1000 10.261,1001 0.721,1002 12.413,1003 2.304,1004 7.843,1005 9.69,1006 3.581,1007 14.682,1008 7.66,1009 11.646,1010 0.426,1011 14.171,1012 1.439,1013 8.569,1014 10.579,1016 16.672,1017 8.36,1018 13.046,1019 0.306,1020 15.946,1021 0.981,1022 9.821,1023 12.257,1024 4.26,1025 19.048,1026 9.592,1027 2.98,1028 -0.219,1029 17.735,1030 0.594,1031 10.731,1032 13.356,1034 21.184,1035 10.476,1036 2.958,1037 9.738,1038 19.534,1039 -0.436,1040 11.884,1041 14.899,1042 4.959,1043 23.487,1044 11.609,1045 2.765,1046 9.444,1047 21.341,1048 3.997,1049 12.882,1050 16.114,1052 25.688,1053 12.582,1054 2.282,1055 8.479,1056 23.155,1057 3.928,1058 13.991,1059 17.583,1060 5.666,1061 27.963,1062 13.671,1063 2.101,1064 6.648,1065 24.973,1066 3.832,1067 15.032,1068 18.864,1070 30.194,1071 14.686,1072 2.006,1073 5.821,1074 26.795,1075 3.136,1076 16.123,1077 20.29,1078 6.376,1079 32.457,1080 15.756,1081 1.599,1082 5.327,1083 28.621,1084 2.762,1085 17.184,1086 21.61,1088 34.703,1089 16.793,1090 12192,1091 22175,1092 20.978,1093 33.932,1094 48.154,1095 48.444,1096 48.58,1097 46.741,1098 46.754,1099 63.188,1100 8.791,1101 129.424,1102 44.815,1103 5.132,1104 5.619,1105 6.108,1106 5.025,1107 4.98,1108 6.997,1109 2.873,1110 16.193,1111 4.911,1112 16.682,1113 1.505,1114 1.514,1115 1.518,1116 1.461,1117 1.461,1118 1.975,1119 0.275,1120 4.044,1121 1.4,1122 4.001,1123 4.027,1124 3.956,1125 3.929,1126 7.475,1127 3.931,1128 3.917,1129 3.933,1130 3.87,1131 3.838,1132 6.351,1133 3.842,1134 3.812,1135 3.857,1136 3.776,1137 3.665,1138 5.291,1139 3.687,1140 3.466,1141 3.492,1142 3.396,1143 3.347,1144 4.98,1145 3.355,1146 3.279,1147 3.305,1148 3.225,1149 3.023,1150 4.946,1151 3.066,1152 3.229,1153 3.271,1154 3.078,1155 2.997,1156 4.805,1157 3.007,1158 3.192,1159 3.265,1160 3.04,1161 2.943,1162 4.637,1163 2.953,1164 3.002,1165 3.124,1166 2.846,1167 2.749,1168 4.447,1169 2.747,1170 0.136,1171 0.113,1172 0.2,1173 0.124,1174 0.093,1175 4.352,1176 0.125,1177 3.619,1178 0.045,1179 6.403,1180 0.304,1181 3.956,1182 0.091,1183 2.98,1184 3.997,1185 1.437,1186 9.738,1187 2.911,1188 1.953,1189 1.934,1190 2.041,1191 2.05,1192 1.215,1193 2.045,1194 1.89,1195 1.873,1196 1.989,1197 1.992,1198 1.07,1199 1.988,1200 1.745,1201 1.703,1202 1.83,1203 1.916,1204 0.885,1205 1.895,1206 1.429,1207 1.403,1208 1.611,1209 1.604,1210 0.667,1211 1.605,1212 1.178,1213 1.122,1214 1.542,1215 1.487,1216 0.571,1217 1.506,1218 1.15,1219 1.099,1220 1.395,1221 1.429,1222 0.404,1223 1.415,1224 1.119,1225 1.077,1226 1.25,1227 1.415,1228 0.228,1229 1.359,1230 0.909,1231 0.836,1232 1.235,1233 1.292,1234 0.151,1235 1.294,1236 4.174,1238 5.468,1240 6.956,1242 8.534,1244 10.158,1246 1.584,1250 11.475,1251 9.183,1252 0.498,1254 10.914,1261 5.896,1262 33.159,1263 81.647,1264 200.89,1265 241.786,1266 265.438,1267 269.438,1268 269.438,1269 59.358,1270 7.326,1271 133.58,1272 133.58,1273 18,1274 12.364,1275 4.392,1276 3.7,1277 55.517,1278 140,1279 122,1280 0.189,1281 207.655,1282 366.86,1283 498.439,1284 16450,1286 21.51,1287 0.717,1288 0.542,1289 21.51,1290 16.254,1291 14.474,1292 0.452,1293 0.28,1294 8.799,1295 13.839,1296 8.576,1297 7.158,1298 14.474,1299 8.954,1300 12.736,1301 0.296,1302 0.145,1303 12.736,1304 6.234,1305 10.249,1306 0.19,1307 0.078,1308 10.249,1309 4.228,1310 8.291,1311 0.126,1312 0.042,1313 8.291,1314 2.791,1315 6.426,1316 0.081,1317 0.023,1318 6.426,1319 1.788,1320 0.305,1321 91.459,1322 0.218,1323 28.854,1324 0.495,1325 150,1326 511.271,1327 166.9,1328 492.269,1329 659.7,1330 458,1331 172,1332 472.638,1333 187.296,1334 481.847,1335 694.03,1336 449,1337 5.208}
{0 CHEMBL355093,1 1.749,2 9.318,3 3.76,4 14.138,5 95.695,6 10.819,7 0.708,8 3.682,9 3.806,10 3.558,11 3.303,12 4.889,13 3.279,14 4.128,15 4.273,16 4.002,17 3.699,18 5.346,19 3.644,20 4.367,21 4.539,22 4.127,23 3.832,24 5.509,25 3.749,26 4.392,27 4.585,28 4.099,29 3.757,30 5.61,31 3.649,32 4.338,33 4.557,34 3.729,35 3.618,36 5.445,37 3.474,38 4.148,39 4.388,40 3.61,41 3.467,42 5.194,43 3.337,44 4.027,45 4.238,46 3.665,47 3.431,48 5.095,49 3.288,50 3.853,51 4.046,52 3.998,53 3.325,54 4.998,55 3.18,56 0.085,57 0.547,58 2.854,59 2.5,60 11.49,61 2.825,62 0.171,63 0.83,64 6.255,65 4.615,66 17.772,67 5.626,68 0.24,69 0.972,70 19.303,71 6.403,72 22.025,73 7.212,74 0.351,75 0.929,76 20.554,77 6.878,78 38.973,79 8.134,80 0.402,81 0.859,82 34.386,83 7.077,84 40.611,85 8.004,86 0.25,87 0.712,88 18.623,89 5.671,90 29.788,91 6.947,92 0.239,93 0.605,94 17.106,95 5.24,96 26.551,97 6.258,98 0.175,99 0.531,100 26.301,101 4.782,102 17.474,103 5.236,104 17,105 34,106 0.318,107 0.679,108 0.799,109 0.9,110 0.9,111 0.9,112 3.147,113 0.964,114 -5.13,115 -5.02,116 -4.7,117 1,119 42.9,125 1,139 6,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 3,172 3,173 3,175 3,178 8,180 1,182 1,187 5,189 6,193 3,195 1,196 1,197 1,198 5,200 2,201 3,204 4,205 1,207 1,210 2,211 1,212 4,214 1,215 5,218 2,226 1,229 7,231 1,234 2,238 1,239 1,240 1,241 5,243 1,246 4,251 2,254 6,256 2,260 2,265 2,270 2,273 612,274 14.585,275 14.585,276 14.585,277 14.585,278 14.585,279 12.4,280 17.614,281 8.488,282 15.068,283 11.828,284 11.828,285 11.828,286 11.828,287 11.828,288 8.596,289 24.117,290 4.033,291 12.742,292 3.381,293 1.389,294 0.729,295 0.171,296 0.171,297 0.171,298 3.825,299 1,300 1,301 1,302 1,303 438,304 2.449,307 178.462,311 93.047,314 1.5,315 18.965,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 46.583,327 205,328 4.654,329 3.413,330 6.835,331 4.162,332 3.212,333 4.616,334 0.657,335 11.231,336 3.037,337 4.048,338 2.991,339 5.806,340 3.625,341 2.67,342 3.65,344 7.895,345 2.546,346 3.897,347 2.758,348 5.496,349 3.44,350 2.52,351 3.406,353 7.394,354 2.306,355 3.455,356 2.5,357 5.097,358 2.994,359 2.073,360 2.861,362 5.918,363 1.909,364 3.4,365 2.163,366 5.009,367 2.935,368 2,369 2.719,371 5.796,372 1.856,373 3.279,374 2.062,375 4.746,376 2.833,377 1.925,378 2.535,380 5.288,381 1.638,382 2.71,383 1.843,384 4.242,385 2.248,386 1.362,387 1.784,389 3.541,390 1.149,391 2.669,392 1.313,393 3.493,394 2.179,395 1.206,396 1.746,398 2.629,399 1.129,400 1.999,401 0.945,402 3.32,403 1.705,404 0.768,405 0.916,407 1.821,408 0.707,409 1.386,410 0.492,411 2.834,412 0.99,413 0.059,414 0.074,415 0.147,416 0.052,417 1.19,418 0.184,419 2.803,420 0.714,421 -0.116,422 -0.143,423 -0.302,424 -0.084,425 0.964,426 0.144,427 2.582,428 0.504,429 -0.394,430 -0.502,431 -0.89,432 -0.211,433 0.883,434 -0.285,435 2.168,436 0.379,437 -0.452,438 -0.572,439 -1.156,440 -0.403,441 0.654,442 -0.388,443 2,444 0.246,445 -0.67,446 -0.812,448 -1.722,449 -0.604,450 0.424,451 -0.726,452 2,453 0.082,454 -0.867,455 -1.126,457 -2.209,458 -0.816,459 11.548,460 0.525,461 0.63,462 0.029,463 31.75,464 1.443,465 17.5,466 0.795,467 14.25,468 0.648,469 16.529,470 0.751,471 22.052,472 0.63,473 20.009,474 0.91,475 6.056,476 0.275,477 4.486,478 0.204,479 0.247,481 0.346,485 0.987,486 1.064,487 0.48,488 0.585,489 1.183,490 0.648,491 0.589,492 0.937,493 0.563,494 0.719,495 0.466,496 0.792,497 1.034,498 1.194,499 0.954,500 0.983,501 0.903,502 0.978,503 0.895,504 1.171,505 0.82,506 1.088,507 0.753,508 1.114,509 1.327,510 0.88,511 1.208,512 1.248,513 1.422,514 1.243,515 0.884,516 0.82,517 0.664,518 0.782,519 0.877,520 0.888,521 1.229,522 0.707,523 0.847,524 0.871,525 1.199,526 0.96,527 0.952,528 1.073,529 1.212,530 1.027,531 0.831,532 0.977,533 5,534 0.07,535 2.444,536 2,537 1.591,538 0.583,539 0.304,540 0.333,541 0.156,542 0.161,543 4940,544 17126,545 2.043,546 37.1,548 8,551 5,555 1.643,556 1.886,557 3.187,558 2.779,560 1,564 61.206,565 1.749,566 3.74,567 4.4,568 4.958,569 4.958,570 4.958,571 2.704,572 4.096,573 4.432,574 3.344,575 772.369,576 7.602,577 8430.85,578 1,579 1,580 1,581 1,582 179.525,583 1.495,584 4.376,585 0.208,586 0.007,587 0.072,588 0.057,589 0.053,590 0.027,591 0.015,592 0.018,593 0.009,594 0.012,595 0.478,596 0.17,597 1,598 0.65,599 101.079,600 -0.227,601 0.088,602 -0.012,603 0.124,604 -0.338,605 0.107,606 0.175,607 0.144,608 0.027,609 0.07,610 0.214,611 0.042,612 -0.104,613 -0.17,614 -0.07,615 -0.077,616 -0.095,617 -0.079,618 0.18,619 -0.209,620 -0.024,621 -0.175,622 0.275,623 -0.169,624 -0.165,625 0.06,626 -0.195,627 -0.248,628 -0.266,629 -0.25,631 0.103,632 0.027,633 0.141,634 0.032,635 0.134,636 -0.164,637 0.19,638 -0.021,639 0.105,640 -0.173,641 0.063,642 0.027,643 -0.154,644 0.164,645 0.095,646 0.095,647 0.057,648 1.532,649 2.313,650 0.727,651 16.909,652 1.014,653 1.124,654 3.895,655 15.172,656 0.744,657 3.219,658 3.555,659 3.807,660 4.078,661 4.263,662 4.29,663 4.29,664 4.394,665 4.454,666 4.466,667 5.557,668 0.703,669 378.68,670 3.219,671 4.762,672 5.609,673 6.494,674 7.356,675 8.245,676 9.113,677 10.005,678 10.879,679 11.772,680 14.3,684 2,685 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,712 1,717 2,718 35,719 17,720 2,721 24,722 1,723 37,724 15,725 14,726 6,727 6,729 3,730 4,731 1,741 14,742 1,754 1,757 13,758 5,759 5,760 7,761 2,764 5,769 0.667,776 1,781 3,785 1,802 2,805 1,807 1,810 22,811 2,816 1,817 1,828 2,836 11.667,837 6.102,838 4.778,839 1.834,840 3.326,841 1.482,842 1.035,843 4.381,844 10.227,845 3.512,846 4.19,847 4.804,848 5.424,849 5.985,850 6.241,851 6.527,852 6.906,853 7.28,854 7.376,855 1,856 35,857 8.04,859 3.393,860 7.782,861 15.139,863 12.238,865 2.282,866 50.194,870 94.169,871 80.405,872 163.33,873 39.149,877 126.359,878 133.317,879 117.376,881 2.106,882 122.652,883 51.582,884 17.215,885 4.227,886 94.169,887 85.103,888 94.169,889 197.782,891 39.149,892 45.954,893 94.169,897 6.149,898 140.051,899 90.73,900 45.954,901 94.169,902 117.376,903 165.508,906 94.169,907 23.548,908 56.857,909 63.965,910 138.514,911 94.169,912 117.376,913 165.508,915 0.589,916 0.341,917 0.188,918 0.097,919 17,920 8,921 0.081,922 3,923 1,924 1.125,925 3.399,926 171.548,927 0.125,928 16,929 98.107,933 15.342,934 6.282,935 3.293,936 1.234,937 117.376,938 11.713,939 8.096,943 3.838,945 83.805,946 377.053,947 32.5,956 35.48,957 39.353,958 0.341,959 0.729,960 0.858,961 0.967,962 0.967,963 0.967,964 4.738,965 1.206,966 5.609,967 3.541,968 4.234,969 4.875,970 0.623,971 6.425,972 4.09,973 5.98,974 0.768,975 7.174,976 2.629,977 3.892,978 4.808,980 7.334,981 3.617,982 7.307,983 0.059,984 8.837,985 1.821,986 5.832,987 7.179,988 0.317,989 10.447,990 5.583,991 8.669,992 -0.116,993 10.557,994 0.147,995 6.256,996 7.899,998 12.199,999 5.891,1000 10.06,1001 -0.394,1002 12.315,1003 -0.302,1004 7.709,1005 9.779,1006 0.149,1007 14.862,1008 7.359,1009 11.474,1010 -0.452,1011 14.103,1012 -0.89,1013 8.509,1014 10.899,1016 16.997,1017 8.06,1018 12.906,1019 -0.67,1020 15.913,1021 -1.156,1022 9.768,1023 12.571,1024 0.067,1025 19.503,1026 9.312,1027 3.212,1028 -0.867,1029 17.742,1030 -1.722,1031 10.754,1032 13.899,1034 21.804,1035 10.216,1036 2.67,1037 11.231,1038 19.587,1039 -2.209,1040 11.939,1041 15.481,1042 0.03,1043 24.254,1044 11.374,1045 2.52,1046 7.895,1047 21.445,1048 4.616,1049 13.014,1050 16.913,1052 26.624,1053 12.38,1054 2.073,1055 7.394,1056 23.314,1057 3.65,1058 14.175,1059 18.458,1060 0.013,1061 29.054,1062 13.501,1063 2,1064 5.918,1065 25.192,1066 3.406,1067 15.293,1068 19.94,1070 31.452,1071 14.557,1072 1.925,1073 5.796,1074 27.079,1075 2.861,1076 16.448,1077 21.473,1078 0.006,1079 33.874,1080 15.664,1081 1.362,1082 5.288,1083 28.971,1084 2.719,1085 17.588,1086 22.979,1088 36.285,1089 16.745,1090 4824,1091 9087,1092 15.72,1093 26.046,1094 35.913,1095 36.524,1096 37.087,1097 35.971,1098 35.591,1099 48.614,1100 1.315,1101 103.32,1102 32.663,1103 5.482,1104 5.413,1105 6.396,1106 5.233,1107 5.212,1108 7.616,1109 1.315,1110 18.467,1111 5.037,1112 11.502,1113 1.496,1114 1.522,1115 1.545,1116 1.499,1117 1.483,1118 2.026,1119 0.055,1120 4.305,1121 1.361,1122 4.074,1123 4.106,1124 6.88,1125 3.989,1126 5.316,1127 3.996,1128 3.904,1129 3.931,1130 4.134,1131 3.869,1132 4.99,1133 3.85,1134 3.516,1135 3.584,1136 3.758,1137 3.314,1138 4.859,1139 3.34,1140 3.218,1141 3.295,1142 3.575,1143 3.072,1144 4.74,1145 3.054,1146 3.134,1147 3.235,1148 3.279,1149 2.937,1150 4.441,1151 2.941,1152 2.87,1153 2.916,1154 3.056,1155 2.844,1156 4.199,1157 2.782,1158 2.837,1159 2.901,1160 2.923,1161 2.638,1162 3.938,1163 2.65,1164 2.697,1165 2.789,1166 2.658,1167 2.44,1168 3.766,1169 2.447,1170 0.194,1171 0.142,1172 0.285,1173 0.173,1174 0.134,1175 4.654,1176 0.192,1177 3.413,1178 0.027,1179 6.835,1180 0.468,1181 4.162,1182 0.127,1183 3.212,1184 4.616,1185 0.657,1186 11.231,1187 3.037,1188 2.008,1189 1.984,1190 2.05,1191 2.119,1192 1.205,1193 2.103,1194 1.897,1195 1.874,1196 1.979,1197 1.97,1198 1.127,1199 1.986,1200 1.427,1201 1.364,1202 1.571,1203 1.667,1204 0.68,1205 1.649,1206 1.192,1207 1.124,1208 1.429,1209 1.416,1210 0.399,1211 1.431,1212 1.04,1213 0.971,1214 1.278,1215 1.384,1216 0.181,1217 1.367,1218 0.872,1219 0.83,1220 1.077,1221 1.02,1222 0.135,1223 1.055,1224 0.785,1225 0.712,1226 0.985,1227 0.98,1229 1.007,1230 0.625,1231 0.525,1232 0.931,1233 0.921,1235 0.948,1236 3.892,1238 5.22,1240 6.749,1242 8.377,1244 10.057,1245 3.453,1247 6.424,1250 11.501,1252 0.639,1253 3.295,1262 24.594,1263 61.206,1264 130.896,1265 154.015,1266 173.525,1267 173.525,1268 173.525,1269 30.767,1270 6.902,1271 89.85,1272 89.85,1273 18,1274 12.303,1275 4.17,1276 3.248,1277 34.576,1278 73,1279 66,1280 0.235,1281 163.274,1282 266.65,1283 390.15,1284 8522,1285 5.7,1286 15.69,1287 0.713,1288 0.628,1289 17.19,1290 13.818,1291 10.542,1292 0.439,1293 0.321,1294 6.548,1295 9.427,1296 6.329,1297 5.23,1298 11.408,1299 7.71,1300 9.803,1301 0.288,1302 0.178,1303 10.953,1304 6.065,1305 7.93,1306 0.18,1307 0.093,1308 8.883,1309 4.104,1310 6.969,1311 0.12,1312 0.051,1313 7.973,1314 2.981,1315 5.119,1316 0.073,1317 0.025,1318 5.695,1319 1.781,1320 0.366,1321 76.645,1322 0.252,1323 21.658,1324 0.651,1325 116,1326 329.105,1327 205.494,1328 397.711,1329 527.68,1330 368,1331 136,1332 346.61,1333 185.911,1334 377.533,1335 552.12,1336 355,1337 8.12}
{0 CHEMBL355151,1 1.406,2 8.55,3 3.064,4 9.387,5 82.16,6 8.135,7 0.773,8 3.58,9 3.705,10 3.221,11 3.209,12 4.841,13 3.197,14 3.982,15 4.125,16 3.55,17 3.554,18 5.244,19 3.519,20 4.18,21 4.369,22 3.56,23 3.632,24 5.335,25 3.581,26 4.098,27 4.286,28 3.459,29 3.505,30 5.382,31 3.446,32 4.022,33 4.231,34 3.22,35 3.372,36 5.239,37 3.3,38 3.928,39 4.157,40 3.086,41 3.292,42 4.962,43 3.193,44 3.856,45 4.059,46 3.098,47 3.253,48 4.957,49 3.166,50 3.866,51 4.103,52 2.921,53 3.121,54 4.944,55 3.018,56 0.039,57 0.481,58 5.305,59 2.297,60 10.476,61 2.787,62 0.114,63 0.723,64 8.411,65 3.988,66 15.559,67 5.169,68 0.088,69 0.854,70 11.823,71 4.742,72 18.02,73 6.149,74 0.083,75 0.795,76 10.732,77 4.552,78 24.164,79 6.033,80 0.12,81 0.739,82 10.473,83 3.722,84 29.205,85 4.699,86 0.063,87 0.62,88 10.361,89 4.301,90 17.939,91 5.89,92 0.033,93 0.588,94 8.863,95 3.86,96 13.132,97 5.209,98 0.078,99 0.608,100 9.706,101 3.617,102 17.436,103 4.841,104 5,105 30,106 0.257,107 0.548,108 0.646,109 0.795,110 0.845,111 0.845,112 3.058,113 0.835,114 -4.94,115 -4.84,116 -4.54,119 50,138 2,139 8,140 3,143 1,144 1,147 1,157 2,158 2,159 2,166 13,169 1,170 3,172 3,173 3,175 1,178 16,180 1,182 3,187 1,189 13,191 1,193 5,195 1,196 1,197 1,198 5,200 2,201 9,204 5,205 1,207 3,212 4,215 9,218 4,221 2,226 3,229 8,231 3,234 4,239 3,241 6,243 3,246 4,251 3,254 3,256 3,260 2,265 3,268 1,270 3,273 490,274 13.637,275 13.637,276 13.637,277 13.637,278 13.637,279 11.346,280 10.714,281 8.213,282 13.816,283 10.888,284 10.888,285 10.888,286 10.888,287 10.888,288 7.497,289 10.714,290 3.922,291 11.187,292 3.594,293 2,294 1.461,295 0.649,296 0.375,297 0.375,298 3.741,300 1,301 1,302 1,303 369,304 2.236,307 151.838,311 79.208,314 1.195,315 13.821,317 1,318 1,319 0.83,320 1,321 0.4,323 1,324 1,325 0.75,326 42,327 171,328 4.638,329 3.311,330 6.767,331 4.142,332 3.165,333 4.594,335 11.061,336 3.095,337 4.131,338 2.911,339 5.399,340 3.529,341 2.534,342 3.626,344 7.065,345 2.524,346 3.738,347 2.563,348 5.28,349 3.267,350 2.323,351 3.211,353 6.678,354 2.191,355 3.478,356 2.078,357 5.06,358 2.963,359 2.011,360 2.874,362 5.821,363 1.912,364 3.389,365 2.048,366 4.776,367 2.768,368 1.81,369 2.547,371 5.056,372 1.726,373 3.021,374 1.622,375 3.681,376 2.483,377 1.485,378 2.173,380 3.147,381 1.482,382 2.749,383 1.269,384 3.642,385 2.2,386 1.217,387 1.773,389 2.76,390 1.194,391 2.56,392 1,393 3.247,394 2,395 1,396 1.5,398 2.136,399 1,400 2.5,401 0.736,402 3.176,403 1.621,404 0.628,405 1.131,407 1.498,408 0.623,409 1.285,410 0.17,411 2.725,412 0.831,413 -0.106,414 -0.142,415 -0.277,416 -0.099,417 1.121,418 -0.045,419 2.565,420 0.705,421 -0.278,422 -0.365,423 -0.724,424 -0.271,425 0.845,426 -0.308,427 2.356,428 0.421,429 -0.513,430 -0.629,431 -1.233,432 -0.478,433 0.723,434 -0.672,435 2.063,436 0.199,437 -0.785,438 -1.138,439 -1.762,440 -0.771,441 0.5,442 -0.847,443 1.648,444 0.015,445 -0.94,446 -1.352,448 -2.347,449 -0.901,450 0.372,451 -1,452 1.555,454 -1,455 -1.5,457 -2.363,458 -1,459 9.6,460 0.48,461 0.435,462 0.022,463 31.5,464 1.575,465 19,466 0.95,467 12.5,468 0.625,469 10.505,470 0.525,471 19.2,472 0.6,473 20.432,474 1.022,475 6.367,476 0.318,477 3.371,478 0.169,479 0.083,481 0.313,485 1.184,486 0.915,487 0.77,488 0.708,489 1.345,490 0.691,491 0.355,492 0.817,493 0.735,494 0.918,495 0.442,496 0.884,497 1.119,498 0.995,499 0.923,500 0.895,501 0.985,502 0.887,503 0.726,504 1.209,505 0.925,506 1.162,507 0.685,508 1.087,509 1.643,510 1.007,511 1.301,512 1.007,513 1.684,514 1.09,515 0.72,516 0.906,517 0.907,518 0.973,519 0.834,520 0.965,521 0.695,522 1.165,523 0.955,524 1.17,525 0.652,526 1.11,527 1.237,528 1.158,529 1.197,530 1.16,531 1.107,532 1.17,533 3.5,534 0.025,535 1.778,536 1.5,537 1.049,538 0.472,539 0.306,540 0.161,541 0.123,542 0.078,543 3806,544 10368,545 2.107,546 37.5,548 8,551 4,555 1.618,556 2,557 3.058,558 1.879,560 1,562 1,564 44.98,565 1.406,566 3,567 3.539,568 4.351,569 4.625,570 4.625,571 2.471,572 3.684,573 4.295,574 3.184,575 604.926,576 7.337,577 6126.52,578 1,579 1,580 1,581 1,582 160,583 1.295,584 4.266,585 0.159,586 0.008,587 0.059,588 0.05,589 0.04,590 0.024,591 0.017,592 0.009,593 0.009,594 0.01,595 0.385,596 0.33,597 1,598 0.548,599 88.123,600 -0.234,601 0.147,602 -0.011,603 0.161,604 -0.382,605 0.115,606 0.475,607 0.19,608 0.068,609 -0.006,610 0.273,611 -0.017,612 -0.154,613 0.003,614 -0.02,615 0.041,616 -0.153,617 0.03,618 0.225,619 -0.229,620 -0.015,621 -0.226,622 0.328,623 -0.165,624 -0.427,625 0.041,626 -0.359,627 -0.1,628 -0.424,629 -0.196,630 0.017,631 -0.011,632 0.088,633 0.055,634 0.007,635 0.076,636 0.047,637 -0.254,638 -0.014,639 -0.176,640 0.118,641 -0.118,642 -0.17,643 -0.19,644 -0.181,645 -0.19,646 -0.153,647 -0.187,648 1.497,649 1.928,650 0.8,651 13.2,652 0.998,653 1.114,654 3.709,655 13.753,656 0.721,657 3.135,658 3.434,659 3.689,660 3.97,661 4.159,662 4.143,663 4.159,664 4.234,665 4.304,666 4.205,667 5.038,668 0.694,669 260.32,670 3.135,671 4.654,672 5.493,673 6.365,674 7.22,675 8.1,676 8.963,677 9.847,678 10.714,679 11.601,680 12.5,684 2,690 2,694 2,695 8,696 2,700 4,702 17,711 2,718 32,719 18,720 2,721 22,723 34,724 16,725 14,726 4,727 8,729 3,730 4,740 2,741 14,753 1,754 1,757 12,758 4,759 4,760 4,764 4,769 0.667,776 1,781 3,785 1,788 2,802 2,810 20,811 2,823 1,827 2,836 10,837 5.733,838 4.417,839 1.742,840 4.332,841 1.647,842 1.046,843 3.142,844 11.031,845 3.512,846 4.159,847 4.832,848 5.493,849 6.105,850 6.426,851 6.893,852 7.323,853 7.805,854 8.048,855 0.833,856 30,857 7.288,859 3.046,860 7.75,861 13.724,863 10.934,865 2.25,866 45,870 94.169,871 125.186,872 99.365,877 125.186,878 94.169,879 99.365,882 141.604,883 33.571,884 11.088,885 38.288,886 94.169,888 94.169,889 224.552,893 94.169,897 4.043,898 152.876,899 67.632,901 94.169,902 99.365,903 125.186,906 94.169,907 15.315,908 75.81,909 34.061,910 99.365,911 94.169,912 99.365,913 125.186,915 0.574,916 0.332,917 0.19,918 0.101,919 15,920 6,923 1,924 1.125,925 3.281,926 149.648,927 0.125,928 16,929 82.439,933 12.314,934 5.103,935 2.53,936 1.444,937 99.365,938 15.384,939 8.165,943 2.261,945 65.794,946 318.721,947 32.5,956 31.942,957 35.654,958 0.281,959 0.6,960 0.708,961 0.87,962 0.925,963 0.925,964 4.721,965 1,966 5.46,967 2.76,968 4.111,969 4.844,971 6.248,972 4.059,973 5.965,974 0.628,975 6.997,976 2.136,977 3.611,978 4.559,980 7.116,981 3.516,982 7.283,983 -0.106,984 8.638,985 1.498,986 5.666,987 7.147,989 10.247,990 5.568,991 8.641,992 -0.278,993 10.345,994 -0.277,995 5.994,996 7.732,998 12.02,999 5.861,1000 10.028,1001 -0.513,1002 12.096,1003 -0.724,1004 7.516,1005 9.739,1007 14.673,1008 7.377,1009 11.44,1010 -0.785,1011 13.88,1012 -1.233,1013 8.263,1014 10.785,1016 16.831,1017 8.096,1018 12.872,1019 -0.94,1020 15.69,1021 -1.762,1022 9.556,1023 12.52,1025 19.324,1026 9.378,1027 3.165,1028 -1,1029 17.52,1030 -2.347,1031 10.515,1032 13.811,1034 21.635,1035 10.312,1036 2.534,1037 11.061,1038 19.367,1039 -2.363,1040 11.713,1041 15.422,1043 24.071,1044 11.495,1045 2.323,1046 7.065,1047 21.227,1048 4.594,1049 12.774,1050 16.835,1052 26.44,1053 12.53,1054 2.011,1055 6.678,1056 23.097,1057 3.626,1058 13.937,1059 18.393,1061 28.855,1062 13.674,1063 1.81,1064 5.821,1065 24.976,1066 3.211,1067 15.045,1068 19.864,1070 31.246,1071 14.758,1072 1.485,1073 5.056,1074 26.863,1075 2.874,1076 16.196,1077 21.4,1079 33.654,1080 15.889,1081 1.217,1082 3.147,1083 28.754,1084 2.547,1085 17.326,1086 22.899,1088 36.052,1089 16.995,1090 3691,1091 6200,1092 14.909,1093 23.068,1094 33.816,1095 32.595,1096 32.966,1097 32.437,1098 32.349,1099 46.858,1101 90.443,1102 31.493,1103 5.138,1104 5.311,1105 6.569,1106 5.214,1107 5.165,1108 7.594,1110 17.969,1111 5.095,1112 7.539,1113 1.537,1114 1.482,1115 1.498,1116 1.474,1117 1.47,1118 2.13,1120 4.111,1121 1.432,1122 4.076,1123 4.107,1124 4.052,1125 4.005,1126 5.311,1127 4.011,1128 3.884,1129 3.913,1130 3.821,1131 3.828,1132 4.987,1133 3.823,1134 3.479,1135 3.544,1136 3.42,1137 3.301,1138 4.904,1139 3.326,1140 3.237,1141 3.283,1142 3.174,1143 3.164,1144 4.688,1145 3.162,1146 3.07,1147 3.168,1148 2.954,1149 2.823,1150 4.425,1151 2.843,1152 2.854,1153 2.925,1154 2.687,1155 2.735,1156 4.127,1157 2.715,1158 2.793,1159 2.878,1160 2.662,1161 2.611,1162 3.737,1163 2.617,1164 2.675,1165 2.765,1166 2.522,1167 2.463,1168 3.674,1169 2.47,1170 0.211,1171 0.15,1172 0.308,1173 0.188,1174 0.144,1175 4.638,1176 0.209,1177 3.311,1179 6.767,1180 0.503,1181 4.142,1182 0.141,1183 3.165,1184 4.594,1186 11.061,1187 3.095,1188 2.028,1189 2.006,1190 2.084,1191 2.123,1192 1.182,1193 2.11,1194 1.887,1195 1.86,1196 2,1197 1.963,1198 1.053,1199 1.979,1200 1.404,1201 1.347,1202 1.536,1203 1.63,1204 0.426,1205 1.614,1206 1.234,1207 1.204,1208 1.352,1209 1.394,1210 0.287,1211 1.382,1212 0.983,1213 0.896,1214 1.249,1215 1.27,1216 0.218,1217 1.279,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.141,1223 1.107,1224 0.774,1225 0.698,1226 1.043,1227 1.018,1229 1.029,1230 0.647,1231 0.556,1232 0.964,1233 0.903,1235 0.935,1236 3.807,1238 5.106,1240 6.616,1242 8.229,1244 9.897,1250 11.529,1261 6.216,1262 22.193,1263 44.98,1264 96,1265 113.245,1266 139.245,1267 148,1268 148,1269 22.3,1270 6.7,1271 77.82,1272 77.82,1273 18,1274 12.137,1275 4.248,1276 3.524,1277 29.952,1278 59,1279 60,1280 0.249,1281 139.971,1282 233.18,1283 333.289,1284 6692,1286 13.949,1287 0.697,1288 0.533,1289 13.949,1290 10.668,1291 9.737,1292 0.443,1293 0.278,1294 6.077,1295 9.536,1296 5.939,1297 4.966,1298 9.737,1299 6.126,1300 8.664,1301 0.289,1302 0.143,1303 8.664,1304 4.283,1305 7.045,1306 0.181,1307 0.074,1308 7.045,1309 2.884,1310 6.283,1311 0.121,1312 0.038,1313 6.283,1314 1.995,1315 4.826,1316 0.077,1317 0.02,1318 4.826,1319 1.264,1320 0.382,1321 59.817,1322 0.259,1323 19.831,1324 0.703,1325 104,1326 277.915,1327 110.383,1328 286.877,1329 403.3,1330 268,1331 121,1332 309.324,1333 126.662,1334 320.139,1335 463.93,1336 302,1337 4.523}
{0 CHEMBL35569,1 1.693,2 10.923,3 1.343,4 1.804,5 99.01,6 7.748,7 0.607,8 3.954,9 4.079,10 3.538,11 3.363,12 5.172,13 3.395,14 4.434,15 4.609,16 3.867,17 3.699,18 5.602,19 3.721,20 4.529,21 4.675,22 4.014,23 3.848,24 5.724,25 3.863,26 4.698,27 4.873,28 3.979,29 3.901,30 5.882,31 3.877,32 4.817,33 5.031,34 3.763,35 3.895,36 5.857,37 3.821,38 4.738,39 4.986,40 3.531,41 3.803,42 5.665,43 3.679,44 4.667,45 4.97,46 3.47,47 3.655,48 5.526,49 3.532,50 4.392,51 4.648,52 3.483,53 3.486,54 5.383,55 3.431,56 0.132,57 0.699,58 9.272,59 3.421,60 13.555,61 4.581,62 0.488,63 1.001,64 17.93,65 5.703,66 36.124,67 7.462,68 0.458,69 1.174,70 17.791,71 6.047,72 25.513,73 8.362,74 0.59,75 1.255,76 22.526,77 7.623,78 45.589,79 10.372,80 0.808,81 1.25,82 28.351,83 8.25,84 58.145,85 11.434,86 0.594,87 1.132,88 26.712,89 8.121,90 47.611,91 12.035,92 0.558,93 0.988,94 27.219,95 7.6,96 48.146,97 12.077,98 0.379,99 0.826,100 19.055,101 5.469,102 30.298,103 8.427,104 35,105 39,106 0.291,107 0.637,108 0.752,109 0.802,110 0.82,111 0.873,112 3.304,113 0.833,114 -2.41,115 -2.44,116 -2.39,119 37,124 3,125 1,139 3,140 2,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 5,172 3,173 3,175 3,178 1,180 1,181 2,182 7,185 1,187 3,191 1,192 2,193 3,195 3,196 4,197 1,198 2,200 2,201 1,204 1,205 1,207 1,210 3,211 1,212 1,214 1,215 2,218 1,221 2,224 1,229 2,233 1,234 5,238 1,239 1,240 1,241 1,243 1,245 1,246 4,251 1,256 1,259 3,260 3,262 1,263 1,265 2,270 2,273 916,274 17.696,275 17.696,276 17.696,277 17.696,278 17.696,279 15.607,280 24.703,281 10.183,282 18.49,283 13.596,284 13.596,285 13.596,286 13.596,287 13.596,288 10.256,289 33.039,290 4.51,291 14.606,292 3.83,293 1.814,294 1.148,295 0.854,296 0.751,297 0.441,298 3.985,300 1,301 1,302 1,303 598,304 3.082,307 227.358,311 118.929,314 1.479,315 26.464,318 1,319 0.83,320 1,321 0.8,323 1,324 1,325 0.8,326 58,327 284,328 4.541,329 3.437,330 6.688,331 4.074,332 3.123,333 4.491,334 0.86,335 10.788,336 2.968,337 4.473,338 3.12,339 6.502,340 4.032,341 3.076,342 4.164,343 0.86,344 10.174,345 2.942,346 3.784,347 2.787,348 5.694,349 3.397,350 2.453,351 3.237,352 0.86,353 7.515,354 2.311,355 3.622,356 2.542,357 5.308,358 3.238,359 2.297,360 2.956,361 0.657,362 6.845,363 2.158,364 3.428,365 2.262,366 5.062,367 2.968,368 2.041,369 2.811,371 5.803,372 1.886,373 3.368,374 2.153,375 4.972,376 2.881,377 1.962,378 2.691,380 5.755,381 1.8,382 3.121,383 2.031,384 4.745,385 2.728,386 1.792,387 2.327,389 4.915,390 1.665,391 2.455,392 1.874,393 3.72,394 1.959,395 1.11,396 1.435,398 2.565,399 0.948,400 2.16,401 1.197,402 3.702,403 1.936,404 1.008,405 1.144,407 2.336,408 0.924,409 2.043,410 1.058,411 3.281,412 1.767,413 0.853,414 0.984,415 1.774,416 0.773,417 1.663,418 0.914,419 2.938,420 1.356,421 0.465,422 0.533,423 0.854,424 0.411,425 1.385,426 0.874,427 2.699,428 1.13,429 0.289,430 0.311,431 0.363,432 0.241,433 1.327,434 0.268,435 2.538,436 0.934,437 0.02,438 0.025,439 0.044,440 0.018,441 0.976,442 0.038,443 2.492,444 0.538,445 -0.381,446 -0.46,448 -0.792,449 -0.347,450 0.841,451 -0.062,452 2.392,453 0.457,454 -0.462,455 -0.586,457 -1.027,458 -0.423,459 11.9,460 0.458,461 0.606,462 0.023,463 37,464 1.423,465 19,466 0.731,467 18,468 0.692,469 18.235,470 0.701,471 28.9,472 0.628,473 28.306,474 1.089,475 7.728,476 0.297,477 4.838,478 0.186,479 0.193,481 0.378,485 1.051,486 1.458,487 0.791,488 1.187,489 1.181,490 0.953,491 1.296,492 0.806,493 0.779,494 0.703,495 0.869,496 0.655,497 0.885,498 1.368,499 0.85,500 1.17,501 0.809,502 1.016,503 0.968,504 1.196,505 1.06,506 1.302,507 0.809,508 1.228,509 1.427,510 0.923,511 1.328,512 1.051,513 1.247,514 1.17,515 0.995,516 1.021,517 1.191,518 1.147,519 1.014,520 1.212,521 0.645,522 0.703,523 0.727,524 0.751,525 0.625,526 0.753,527 0.804,528 0.961,529 0.738,530 0.879,531 0.708,532 0.801,533 5.5,534 0.206,535 3.333,536 2.063,537 2.102,538 0.764,539 0.344,540 0.358,541 0.283,542 0.238,543 7668,544 23638,545 2.014,546 43.5,548 14,550 1,551 5,555 1.689,556 1.857,557 3.393,558 2.634,559 1,560 1,564 77.894,565 1.693,566 3.71,567 4.376,568 4.67,569 4.773,570 5.083,571 2.83,572 4.316,573 4.676,574 3.538,575 1149.78,576 8.091,577 14434.2,579 1,582 254.084,583 1.502,584 4.615,585 0.196,586 0.01,587 0.085,588 0.047,589 0.053,590 0.025,591 0.014,592 0.015,593 0.011,594 0.01,595 0.467,596 0.17,597 1,598 0.998,599 127.524,600 -0.157,601 -0.197,602 0.031,603 -0.095,604 -0.246,605 0.008,606 -0.109,607 0.275,608 0.168,609 0.315,610 0.07,611 0.293,612 0.089,613 -0.182,614 0.018,615 -0.114,616 0.031,617 -0.062,618 0.066,619 -0.106,620 -0.145,621 -0.274,622 0.121,623 -0.268,624 -0.252,625 0.039,626 -0.338,627 -0.072,628 -0.254,629 -0.213,630 -0.119,631 -0.1,632 -0.213,633 -0.139,634 -0.19,635 -0.192,636 0.107,637 0.115,638 0.311,639 0.223,640 0.166,641 0.303,642 0.043,643 -0.042,644 0.256,645 0.113,646 0.122,647 0.221,648 1.571,649 1.986,650 0.615,651 21.42,652 1.017,653 1.142,654 1.177,655 1.386,656 0.646,657 3.367,658 3.689,659 3.989,660 4.248,661 4.443,662 4.431,663 4.466,664 4.522,665 4.644,666 4.673,667 6.356,668 0.63,669 356.43,670 3.367,671 4.905,672 5.765,673 6.65,674 7.525,675 8.411,676 9.289,677 10.175,678 11.055,679 11.941,680 13,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 3,718 46,719 17,720 1,721 28,723 48,724 17,725 13,726 4,727 2,729 3,730 4,741 13,742 4,753 1,754 1,757 20,758 9,759 5,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 1,817 1,818 3,829 6.5,834 3,836 14,837 9.1,838 5.972,839 2.261,840 3.401,841 1.469,842 0.971,843 5.489,844 10.656,845 3.624,846 4.277,847 4.914,848 5.512,849 6.077,850 6.311,851 6.599,852 6.911,853 7.317,854 7.412,855 1,856 44,857 9.493,859 3.888,860 7.827,861 17.706,863 13.672,865 2.327,866 60.5,870 176.567,871 102.419,872 134.162,874 33,877 102.419,878 209.566,879 134.162,880 32.649,881 2.106,882 94.223,883 80.138,884 68.008,885 4.227,886 164.795,888 176.567,889 236.581,890 33,893 178.282,894 33,897 13.052,898 153.446,899 68.367,901 176.567,902 167.161,903 102.419,906 176.567,907 32.294,908 70.125,909 18.011,910 149.151,911 176.567,912 167.161,913 102.419,915 0.574,916 0.361,917 0.206,918 0.108,919 18,920 9,921 0.125,922 6,923 1,924 1.125,925 3.691,926 215.146,927 0.125,928 16,929 122.211,933 18.29,934 7.803,935 3.713,936 1.077,937 167.161,938 7.206,939 12.288,943 3.776,945 83.805,946 446.147,947 36.5,956 46.778,957 52.524,958 0.307,959 0.672,960 0.792,961 0.845,962 0.864,963 0.92,964 4.854,965 1.11,966 5.759,967 4.915,968 4.369,969 4.963,970 1.841,971 6.594,972 4.24,973 6.083,974 1.008,975 7.338,976 2.565,977 4.007,978 4.913,980 7.564,981 3.848,982 7.413,983 0.853,984 9.014,985 2.336,986 5.989,987 7.265,988 1.538,989 10.654,990 5.763,991 8.783,992 0.465,993 10.748,994 1.774,995 6.431,996 8.012,998 12.428,999 6.167,1000 10.182,1001 0.289,1002 12.518,1003 0.854,1004 7.888,1005 9.861,1006 1.278,1007 15.05,1008 7.576,1009 11.602,1010 0.02,1011 14.314,1012 0.363,1013 8.703,1014 10.983,1016 17.161,1017 8.345,1018 13.038,1019 -0.381,1020 16.127,1021 0.044,1022 9.956,1023 12.627,1024 1.053,1025 19.621,1026 9.557,1027 3.123,1028 -0.462,1029 17.955,1030 -0.792,1031 10.945,1032 13.936,1034 21.875,1035 10.497,1036 3.076,1037 10.788,1038 19.794,1039 -1.027,1040 12.119,1041 15.49,1042 0.858,1043 24.274,1044 11.63,1045 2.453,1046 10.174,1047 21.642,1048 4.491,1049 13.187,1050 16.89,1052 26.588,1053 12.648,1054 2.297,1055 7.515,1056 23.498,1057 4.164,1058 14.332,1059 18.404,1060 0.691,1061 28.965,1062 13.749,1063 2.041,1064 6.845,1065 25.359,1066 3.237,1067 15.434,1068 19.848,1070 31.305,1071 14.803,1072 1.962,1073 5.803,1074 27.226,1075 2.956,1076 16.569,1077 21.346,1078 0.549,1079 33.672,1080 15.892,1081 1.792,1082 5.755,1083 29.097,1084 2.811,1085 17.687,1086 22.812,1088 36.025,1089 16.962,1090 7571,1091 13418,1092 18.205,1093 29.728,1094 40.847,1095 42.126,1096 43.937,1097 40.844,1098 40.977,1099 54.217,1100 6.475,1101 119.461,1102 38.091,1103 5.378,1104 5.437,1105 6.238,1106 5.149,1107 5.123,1108 7.491,1109 1.72,1110 17.976,1111 4.968,1112 14.858,1113 1.459,1114 1.504,1115 1.569,1116 1.459,1117 1.463,1118 1.936,1119 0.231,1120 4.266,1121 1.36,1122 4.055,1123 4.098,1124 4.031,1125 3.926,1126 5.325,1127 3.946,1128 3.934,1129 3.947,1130 3.899,1131 3.834,1132 4.983,1133 3.847,1134 3.52,1135 3.59,1136 3.455,1137 3.298,1138 4.971,1139 3.33,1140 3.323,1141 3.377,1142 3.198,1143 3.076,1144 4.823,1145 3.096,1146 3.272,1147 3.334,1148 3.104,1149 2.993,1150 4.578,1151 3.007,1152 3.201,1153 3.282,1154 3.003,1155 2.896,1156 4.466,1157 2.895,1158 3.11,1159 3.225,1160 2.974,1161 2.83,1162 4.301,1163 2.851,1164 3.073,1165 3.173,1166 2.884,1167 2.807,1168 4.163,1169 2.817,1170 0.162,1171 0.123,1172 0.239,1173 0.146,1174 0.112,1175 4.541,1176 0.16,1177 3.437,1178 0.031,1179 6.688,1180 0.385,1181 4.074,1182 0.106,1183 3.123,1184 4.491,1185 0.86,1186 10.788,1187 2.968,1188 1.968,1189 1.935,1190 2.028,1191 2.121,1192 1.173,1193 2.094,1194 1.882,1195 1.869,1196 1.958,1197 2.007,1198 1.062,1199 1.991,1200 1.426,1201 1.364,1202 1.616,1203 1.691,1204 0.687,1205 1.667,1206 1.248,1207 1.189,1208 1.584,1209 1.559,1210 0.582,1211 1.563,1212 1.212,1213 1.144,1214 1.567,1215 1.521,1216 0.57,1217 1.535,1218 1.161,1219 1.073,1220 1.514,1221 1.483,1222 0.537,1223 1.504,1224 1.054,1225 0.958,1226 1.358,1227 1.381,1228 0.347,1229 1.368,1230 0.995,1231 0.897,1232 1.265,1233 1.325,1234 0.043,1235 1.337,1236 4.043,1238 5.361,1240 6.895,1242 8.531,1244 10.219,1246 4.731,1250 11.486,1252 0.479,1253 3.277,1254 16.181,1262 28.96,1263 77.894,1264 170.646,1265 201.29,1266 214.8,1267 219.555,1268 233.819,1269 39.658,1270 7.255,1271 130.43,1272 130.43,1273 18,1274 12.474,1275 4.17,1276 3.248,1277 44.471,1278 102,1279 90,1280 0.219,1281 180.995,1282 304.13,1283 433.389,1284 13420,1286 18.681,1287 0.719,1288 0.567,1289 18.681,1290 14.738,1291 12.566,1292 0.449,1293 0.278,1294 7.564,1295 11.783,1296 7.315,1297 6.148,1298 12.566,1299 7.775,1300 10.884,1301 0.279,1302 0.139,1303 10.884,1304 5.409,1305 9.449,1306 0.178,1307 0.073,1308 9.449,1309 3.867,1310 8.176,1311 0.118,1312 0.038,1313 8.176,1314 2.649,1315 6.405,1316 0.076,1317 0.021,1318 6.405,1319 1.738,1320 0.345,1321 81.047,1322 0.234,1323 25.061,1324 0.596,1325 134,1326 455.099,1327 152.516,1328 429.62,1329 589.07,1330 404,1331 159,1332 435.115,1333 178.375,1334 442.657,1335 644.73,1336 410,1337 5.482}
{0 CHEMBL356279,1 1.613,2 10.091,3 1.376,4 1.893,5 86.084,6 7.799,7 0.708,8 3.763,9 3.9,10 3.358,11 3.24,12 4.977,13 3.254,14 4.218,15 4.392,16 3.691,17 3.589,18 5.419,19 3.582,20 4.377,21 4.563,22 3.717,23 3.69,24 5.499,25 3.663,26 4.453,27 4.686,28 3.588,29 3.642,30 5.584,31 3.565,32 4.409,33 4.667,34 3.371,35 3.552,36 5.381,37 3.452,38 4.275,39 4.527,40 3.209,41 3.423,42 5.284,43 3.314,44 4.173,45 4.456,46 3.144,47 3.295,48 5.063,49 3.195,50 3.951,51 4.177,52 3.154,53 3.156,54 5.056,55 3.104,56 0.079,57 0.619,58 7.409,59 2.724,60 11.599,61 3.682,62 0.267,63 0.906,64 13.197,65 4.783,66 25.141,67 6.374,68 0.194,69 1.039,70 15.477,71 5.14,72 20.185,73 7.336,74 0.388,75 1.027,76 18.324,77 5.947,78 39.609,79 8.653,80 0.276,81 0.922,82 18.603,83 5.66,84 32.363,85 8.56,86 0.314,87 0.805,88 16.057,89 5.001,90 32.452,91 7.304,92 0.2,93 0.69,94 15.498,95 4.825,96 23.346,97 7.405,98 0.214,99 0.596,100 11.326,101 3.657,102 21.181,103 5.28,104 11,105 33,106 0.288,107 0.669,108 0.813,109 0.887,110 0.887,111 0.887,112 3.146,113 0.839,114 -3.4,115 -3.38,116 -3.24,119 39.5,124 1,125 1,139 5,140 2,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 4,169 2,170 6,172 3,173 3,175 4,178 4,180 1,182 4,187 3,189 1,191 1,192 1,193 3,195 3,196 5,197 1,198 4,200 2,201 2,204 2,205 1,212 1,215 3,218 1,221 3,224 2,225 1,226 1,228 1,229 4,231 1,234 2,241 2,245 1,246 6,250 1,251 2,253 1,254 1,256 2,260 2,265 1,270 1,273 616,274 14.903,275 14.903,276 14.903,277 14.903,278 14.903,279 12.843,280 20.35,281 8.778,282 15.374,283 11.799,284 11.799,285 11.799,286 11.799,287 11.799,288 8.65,289 29.704,290 4.125,291 12.474,292 3.635,293 1.502,294 0.694,295 0.283,296 0.283,297 0.283,298 3.829,300 1,301 1,302 1,303 475,304 2.55,307 182.459,311 94.702,314 1.463,315 18.404,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48,327 222,328 4.541,329 3.132,330 6.502,331 4.038,332 3.079,333 4.491,334 0.86,335 10.175,336 2.957,337 4.07,338 2.93,339 5.595,340 3.657,341 2.696,342 3.67,343 0.657,344 7.711,345 2.59,346 3.769,347 2.672,348 5.311,349 3.37,350 2.409,351 3.232,353 6.879,354 2.318,355 3.432,356 2.348,357 5.062,358 3.02,359 2.094,360 2.811,362 5.873,363 1.932,364 3.406,365 2.166,366 4.989,367 2.946,368 2.015,369 2.717,371 5.795,372 1.872,373 3.312,374 2.033,375 4.921,376 2.866,377 1.933,378 2.581,380 5.664,381 1.795,382 2.689,383 1.369,384 3.71,385 2.222,386 1.241,387 1.774,389 2.675,390 1.215,391 2.454,392 1.059,393 3.509,394 1.945,395 1.008,396 1.434,398 2.565,399 0.942,400 1.91,401 0.94,402 3.244,403 1.64,404 0.695,405 0.816,407 1.667,408 0.655,409 1.583,410 0.892,411 2.751,412 1.293,413 0.427,414 0.48,415 0.622,416 0.366,417 1.368,418 0.177,419 2.68,420 0.949,421 0.022,422 0.029,423 0.056,424 0.02,425 0.976,426 -0.284,427 2.562,428 0.487,429 -0.432,430 -0.561,431 -1.128,432 -0.396,433 0.787,434 -0.335,435 2.426,436 0.41,437 -0.546,438 -0.679,439 -1.294,440 -0.52,441 0.595,442 -0.421,443 2.105,444 0.165,445 -0.781,446 -0.982,448 -1.843,449 -0.721,450 0.557,451 -0.717,452 1.692,453 0.128,454 -0.815,455 -1.093,457 -2.193,458 -0.767,459 10.233,460 0.465,461 0.52,462 0.024,463 33,464 1.5,465 18,466 0.818,467 15,468 0.682,469 12.947,470 0.589,471 23.367,472 0.615,473 22.356,474 1.016,475 6.714,476 0.305,477 3.938,478 0.179,479 0.127,481 0.342,485 1.107,486 1.312,487 0.798,488 0.995,489 1.267,490 0.854,491 0.995,492 0.912,493 0.787,494 0.878,495 0.622,496 0.826,497 1.134,498 1.396,499 1.012,500 1.184,501 0.942,502 1.093,503 0.738,504 0.936,505 1.06,506 1.118,507 0.755,508 1.144,509 0.994,510 1.037,511 1.061,512 1.032,513 1.035,514 1.051,515 1.011,516 0.807,517 1.206,518 1.034,519 1.15,520 1.136,521 0.72,522 0.842,523 0.748,524 0.836,525 0.652,526 0.797,527 0.964,528 1.016,529 0.87,530 0.979,531 0.834,532 0.934,533 5,534 0.099,535 2,536 1.313,537 1.48,538 0.417,539 0.264,540 0.28,541 0.135,542 0.171,543 5208,544 15074,545 2.07,546 42.1,548 10,550 1,551 5,555 1.64,556 1.941,557 3.305,558 2.779,559 1,560 1,562 1,564 61.308,565 1.613,566 3.745,567 4.554,568 4.965,569 4.965,570 4.965,571 2.738,572 4.369,573 4.433,574 3.433,575 793.09,576 7.589,577 8849.12,578 1,579 1,582 199.421,583 1.395,584 4.392,585 0.208,586 0.008,587 0.061,588 0.04,589 0.055,590 0.019,591 0.015,592 0.016,593 0.008,594 0.011,595 0.44,596 0.33,597 1,598 0.797,599 102.198,600 -0.192,601 -0.097,602 0.013,603 0.023,604 -0.305,605 0.059,606 0.08,607 0.195,608 0.105,609 0.13,610 0.212,611 0.111,612 -0.189,613 -0.308,614 -0.124,615 -0.191,616 -0.13,617 -0.154,618 0.174,619 0.077,620 -0.11,621 -0.155,622 0.167,623 -0.187,624 -0.137,625 -0.106,626 -0.075,627 -0.047,628 -0.115,629 -0.049,630 -0.088,631 0.153,632 -0.228,633 -0.066,634 -0.217,635 -0.157,636 0.048,637 0.013,638 0.277,639 0.178,640 0.118,641 0.261,642 0.101,643 -0.065,644 0.109,645 0.022,646 0.149,647 0.054,648 1.542,649 1.863,650 0.727,651 17.273,652 1.009,653 1.139,654 2.172,655 4.718,656 0.666,657 3.219,658 3.526,659 3.761,660 4.007,661 4.234,662 4.205,663 4.248,664 4.304,665 4.419,666 4.407,667 5.878,668 0.644,669 296.37,670 3.219,671 4.745,672 5.58,673 6.447,674 7.298,675 8.168,676 9.025,677 9.897,678 10.757,679 11.63,680 15.8,684 2,685 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,712 1,716 1,718 38,719 17,720 1,721 24,723 40,724 15,725 13,726 2,727 4,729 3,730 4,741 13,742 2,753 1,754 1,757 16,758 7,759 5,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 1,810 22,811 2,816 1,817 1,818 1,829 2.6,834 1,836 11.333,837 6.933,838 4.889,839 1.935,840 3.331,841 1.482,842 1.009,843 4.045,844 10.244,845 3.512,846 4.159,847 4.76,848 5.366,849 5.952,850 6.159,851 6.471,852 6.807,853 7.22,854 7.255,855 0.857,856 33,857 8.026,859 3.323,860 7.78,861 15.087,863 11.884,865 2.28,866 50.167,870 129.482,871 89.118,872 134.162,874 11,877 89.118,878 140.482,879 134.162,880 10.883,881 2.106,882 113.176,883 80.138,884 35.521,885 4.227,886 117.711,888 129.482,889 223.28,890 11,893 131.197,894 11,897 13.052,898 140.145,899 68.367,901 129.482,902 145.162,903 89.118,906 129.482,907 21.807,908 67.312,909 18.011,910 127.151,911 129.482,912 145.162,913 89.118,915 0.577,916 0.335,917 0.181,918 0.101,919 16,920 7,921 0.1,922 4,923 1,924 1.125,925 3.482,926 167.265,927 0.125,928 16,929 98.107,933 14.506,934 6.135,935 3.267,936 1.189,937 145.162,938 11.354,939 12.282,943 3.184,945 83.805,946 363.762,947 32.5,956 38.356,957 43.275,958 0.307,959 0.714,960 0.868,961 0.946,962 0.946,963 0.946,964 4.721,965 1.008,966 5.557,967 2.675,968 4.205,969 4.844,970 1.207,971 6.33,972 4.102,973 5.941,974 0.695,975 7.091,976 2.565,977 3.761,978 4.691,980 7.125,981 3.619,982 7.251,983 0.427,984 8.718,985 1.667,986 5.765,987 7.115,988 0.903,989 10.192,990 5.577,991 8.597,992 0.022,993 10.398,994 0.622,995 6.089,996 7.754,998 11.792,999 5.862,1000 9.97,1001 -0.432,1002 12.113,1003 0.056,1004 7.576,1005 9.666,1006 0.678,1007 14.387,1008 7.313,1009 11.363,1010 -0.546,1011 13.853,1012 -1.128,1013 8.281,1014 10.713,1016 16.37,1017 7.979,1018 12.774,1019 -0.781,1020 15.612,1021 -1.294,1022 9.546,1023 12.397,1024 0.512,1025 18.792,1026 9.211,1027 3.079,1028 -0.815,1029 17.387,1030 -1.843,1031 10.451,1032 13.665,1034 20.958,1035 10.075,1036 2.696,1037 10.175,1038 19.176,1039 -2.193,1040 11.618,1041 15.242,1042 0.387,1043 23.315,1044 11.21,1045 2.409,1046 7.711,1047 20.977,1048 4.491,1049 12.626,1050 16.626,1052 25.565,1053 12.176,1054 2.094,1055 6.879,1056 22.789,1057 3.67,1058 13.755,1059 18.156,1060 0.293,1061 27.898,1062 13.27,1063 2.015,1064 5.873,1065 24.609,1066 3.232,1067 14.815,1068 19.598,1070 30.185,1071 14.288,1072 1.933,1073 5.795,1074 26.438,1075 2.811,1076 15.93,1077 21.108,1078 0.221,1079 32.509,1080 15.366,1081 1.241,1082 5.664,1083 28.273,1084 2.717,1085 17.017,1086 22.579,1088 34.814,1089 16.412,1090 5068,1091 8739,1092 16.008,1093 25.296,1094 35.277,1095 35.769,1096 36.188,1097 35.177,1098 35.237,1099 48.069,1100 3.035,1101 99.363,1102 33.326,1103 5.367,1104 5.132,1105 6.098,1106 5.113,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.957,1112 10.328,1113 1.47,1114 1.49,1115 1.508,1116 1.466,1117 1.468,1118 2.003,1119 0.126,1120 4.14,1121 1.389,1122 4.056,1123 4.099,1124 4.03,1125 3.934,1126 5.324,1127 3.952,1128 3.902,1129 3.932,1130 3.846,1131 3.813,1132 4.982,1133 3.817,1134 3.533,1135 3.599,1136 3.461,1137 3.346,1138 4.883,1139 3.367,1140 3.267,1141 3.334,1142 3.122,1143 2.986,1144 4.806,1145 3.005,1146 3.134,1147 3.235,1148 3.003,1149 2.888,1150 4.423,1151 2.898,1152 3.106,1153 3.216,1154 2.974,1155 2.81,1156 4.194,1157 2.847,1158 2.812,1159 2.89,1160 2.684,1161 2.655,1162 4.012,1163 2.65,1164 2.743,1165 2.821,1166 2.55,1167 2.586,1168 3.81,1169 2.571,1170 0.189,1171 0.131,1172 0.271,1173 0.168,1174 0.128,1175 4.541,1176 0.187,1177 3.132,1178 0.036,1179 6.502,1180 0.424,1181 4.038,1182 0.123,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.957,1188 1.978,1189 1.945,1190 2.046,1191 2.123,1192 1.168,1193 2.1,1194 1.874,1195 1.849,1196 1.973,1197 1.99,1198 1.05,1199 1.987,1200 1.466,1201 1.405,1202 1.627,1203 1.694,1204 0.727,1205 1.681,1206 1.201,1207 1.13,1208 1.564,1209 1.517,1210 0.572,1211 1.531,1212 1.073,1213 0.984,1214 1.325,1215 1.389,1216 0.243,1217 1.381,1218 0.994,1219 0.896,1220 1.258,1221 1.357,1222 0.157,1223 1.342,1224 0.815,1225 0.744,1226 1.104,1227 1.02,1228 0.089,1229 1.049,1230 0.743,1231 0.674,1232 1.014,1233 0.961,1235 0.983,1236 3.892,1238 5.198,1240 6.706,1242 8.307,1244 9.958,1246 1.64,1250 11.421,1252 0.597,1253 3.305,1254 5.194,1262 24.477,1263 61.308,1264 142.328,1265 173.057,1266 188.666,1267 188.666,1268 188.666,1269 26.741,1270 6.913,1271 111.97,1272 111.97,1273 18,1274 12.174,1275 4.17,1276 3.248,1277 34.681,1278 78,1279 74,1280 0.219,1281 153.818,1282 251.95,1283 367.076,1284 8904,1286 15.527,1287 0.706,1288 0.549,1289 15.527,1290 12.076,1291 10.652,1292 0.444,1293 0.28,1294 6.583,1295 10.161,1296 6.419,1297 5.369,1298 10.652,1299 6.71,1300 9.541,1301 0.289,1302 0.144,1303 9.541,1304 4.767,1305 7.819,1306 0.186,1307 0.077,1308 7.819,1309 3.221,1310 6.54,1311 0.121,1312 0.039,1313 6.54,1314 2.129,1315 5.299,1316 0.078,1317 0.021,1318 5.299,1319 1.439,1320 0.347,1321 67.331,1322 0.25,1323 21.879,1324 0.591,1325 114,1326 343.628,1327 126.759,1328 337.321,1329 466.51,1330 316,1331 132,1332 351.024,1333 144.15,1334 358.768,1335 518.73,1336 335,1337 6.102}
{0 CHEMBL356490,1 1.642,2 10.893,3 2.045,4 4.184,5 107.993,6 7.394,7 0.567,8 4.059,9 4.187,10 3.608,11 3.471,12 5.232,13 3.487,14 4.564,15 4.755,16 3.94,17 3.812,18 5.671,19 3.818,20 4.675,21 4.839,22 4.09,23 3.992,24 5.795,25 3.987,26 4.86,27 5.051,28 4.1,29 4.106,30 5.973,31 4.051,32 5.011,33 5.232,34 3.979,35 4.143,36 5.972,37 4.054,38 4.999,39 5.234,40 3.836,41 4.079,42 5.936,43 3.97,44 4.958,45 5.231,46 3.76,47 3.989,48 5.796,49 3.869,50 4.832,51 5.093,52 3.717,53 3.88,54 5.796,55 3.771,56 0.094,57 0.777,58 11.159,59 4.028,60 12.926,61 5.659,62 0.484,63 1.128,64 21.415,65 6.508,66 36.064,67 9.06,68 0.461,69 1.349,70 22.364,71 7.133,72 25.962,73 10.452,74 0.589,75 1.508,76 27.735,77 9.775,78 45.436,79 13.779,80 0.644,81 1.562,82 34.488,83 10.848,84 52.436,85 15.752,86 0.723,87 1.491,88 34.736,89 10.477,90 56.928,91 15.231,92 0.598,93 1.356,94 34.7,95 10.285,96 47.977,97 15.677,98 0.571,99 1.238,100 29.963,101 8.88,102 50.905,103 13.637,104 53,105 42,106 0.275,107 0.615,108 0.751,109 0.781,110 0.79,111 0.817,112 3.375,113 0.873,114 -2.88,115 -2.88,116 -2.79,119 36.5,120 1,124 3,125 2,139 3,140 2,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 2,169 2,170 10,172 3,173 3,175 1,178 2,180 1,181 2,182 6,187 1,191 1,192 5,193 5,195 3,196 3,197 1,198 2,200 2,201 5,204 2,205 1,206 1,212 1,215 3,218 1,220 2,221 7,223 1,224 1,226 1,229 3,231 1,234 4,245 2,246 9,248 1,249 1,251 3,256 3,259 1,260 1,273 1202,274 19.014,275 19.014,276 19.014,277 19.014,278 19.014,279 16.977,280 28.284,281 10.9,282 19.894,283 14.534,284 14.534,285 14.534,286 14.534,287 14.534,288 11.237,289 39.735,290 4.794,291 15.646,292 4.058,293 2.034,294 1.222,295 1.039,296 0.986,297 0.827,298 4.054,300 1,301 1,302 1,303 638,304 3.536,307 252.893,311 133.285,314 1.551,315 26.29,318 1,319 0.83,320 1,321 1,322 1,323 1,324 1,325 0.98,326 62,327 305,328 4.543,329 3.403,330 6.555,331 4.064,332 3.114,333 4.491,334 0.916,335 10.39,336 2.97,337 4.443,338 3.162,339 6.502,340 4.023,341 3.07,342 4.12,343 0.86,344 10.177,345 2.913,346 3.902,347 3.018,348 6.088,349 3.63,350 2.699,351 3.272,352 0.86,353 8.843,354 2.512,355 3.681,356 2.555,357 5.295,358 3.269,359 2.317,360 3.043,361 0.86,362 6.796,363 2.206,364 3.427,365 2.496,366 5.19,367 2.972,368 2.061,369 2.811,370 0.172,371 6.118,372 1.888,373 3.356,374 2.172,375 5.062,376 2.964,377 2.031,378 2.679,380 5.803,381 1.867,382 3.355,383 2.048,384 4.973,385 2.876,386 1.947,387 2.604,389 5.758,390 1.801,391 2.686,392 1.988,393 4.389,394 2.407,395 1.47,396 1.715,398 4.019,399 1.374,400 2.45,401 1.541,402 3.711,403 1.944,404 1.076,405 1.429,407 2.565,408 0.941,409 2.135,410 1.058,411 3.68,412 1.911,413 1.006,414 1.12,415 2.167,416 0.893,417 1.591,418 0.981,419 2.982,420 1.376,421 0.421,422 0.461,423 0.782,424 0.4,425 1.576,426 0.916,427 2.859,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.409,434 0.612,435 2.677,436 1.159,437 0.315,438 0.339,439 0.408,440 0.264,441 1.246,442 0.215,443 2.551,444 0.95,445 0.017,446 0.021,448 0.033,449 0.016,450 0.976,451 0.045,452 2.512,453 0.529,454 -0.388,455 -0.467,457 -0.786,458 -0.351,459 12.9,460 0.461,461 0.674,462 0.024,463 38.25,464 1.366,465 19,466 0.679,467 19.25,468 0.688,469 22.508,470 0.804,471 31.5,472 0.606,473 30.365,474 1.084,475 7.854,476 0.28,477 5.645,478 0.202,479 0.217,481 0.38,485 1.014,486 1.554,487 0.818,488 1.27,489 1.146,490 1.031,491 1.292,492 0.821,493 0.785,494 0.698,495 0.804,496 0.661,497 0.935,498 1.327,499 0.891,500 1.089,501 0.793,502 0.982,503 0.702,504 1.088,505 0.992,506 1.249,507 0.674,508 1.194,509 1.194,510 1.111,511 1.145,512 1.142,513 1.085,514 1.151,515 1.257,516 0.938,517 1.274,518 1.113,519 1.171,520 1.195,521 0.984,522 0.897,523 0.927,524 0.923,525 0.752,526 0.923,527 0.866,528 0.998,529 0.947,530 1.024,531 0.859,532 1.014,533 6.5,534 0.206,535 3.333,536 2.313,537 2.462,538 0.938,539 0.73,540 0.479,541 0.246,542 0.314,543 8874,544 26004,545 1.993,546 46.2,548 16,550 1,551 4,553 3,555 1.712,556 1.826,557 3.393,558 1.733,559 1,560 1,564 85.408,565 1.642,566 3.666,567 4.478,568 4.661,569 4.714,570 4.873,571 2.839,572 4.45,573 4.782,574 3.543,575 1339.4,576 8.324,577 17472.4,579 1,581 1,582 296.423,583 1.531,584 4.714,585 0.217,586 0.009,587 0.079,588 0.048,589 0.054,590 0.023,591 0.022,592 0.015,593 0.008,594 0.013,595 0.488,596 0.17,597 1,598 1.049,599 139.787,600 -0.109,601 -0.27,602 0.048,603 -0.142,604 -0.193,605 -0.026,606 -0.082,607 0.27,608 0.191,609 0.312,610 0.13,611 0.297,612 0.048,613 -0.132,614 0.02,615 -0.024,616 0.037,618 0.192,619 0.035,620 -0.076,621 -0.186,622 0.18,623 -0.191,624 -0.162,625 -0.127,626 -0.18,627 -0.109,628 -0.182,629 -0.149,630 -0.204,631 0.034,632 -0.295,633 -0.12,634 -0.276,635 -0.215,636 -0.075,637 -0.025,638 0.069,639 0.07,640 0.025,641 0.094,642 0.033,643 -0.081,644 0.037,645 -0.034,646 0.073,647 -0.008,648 1.558,649 1.976,650 0.571,651 23.995,652 1.01,653 1.141,654 1.647,655 2.713,656 0.639,657 3.434,658 3.761,659 4.06,660 4.331,661 4.554,662 4.595,663 4.682,664 4.71,665 4.762,666 4.762,667 6.377,668 0.616,669 384.49,670 3.434,671 4.977,672 5.838,673 6.727,674 7.605,675 8.498,676 9.38,677 10.272,678 11.157,679 12.048,680 11.5,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,716 3,718 52,719 17,720 1,721 30,723 54,724 19,725 13,726 4,727 2,729 3,730 4,734 1,741 13,742 6,754 1,757 24,758 9,759 4,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 4,810 28,811 2,816 2,818 3,821 1,829 5.8,834 3,836 15.333,837 10.55,838 6.472,839 2.817,840 3.299,841 1.449,842 0.958,843 6.263,844 10.644,845 3.676,846 4.317,847 4.947,848 5.555,849 6.132,850 6.399,851 6.718,852 7.012,853 7.389,854 7.486,855 1,856 48,857 10.249,859 4.169,860 7.768,861 19.304,863 14.941,865 2.268,866 63.5,870 235.422,871 113.35,872 119.275,874 33,877 113.35,878 268.422,879 119.275,880 41.474,881 4.211,882 94.223,883 62.128,884 71.132,885 4.227,886 223.651,888 235.422,889 232.625,890 33,893 201.824,894 68.313,897 23.983,898 156.57,899 50.357,901 235.422,902 152.275,903 113.35,906 235.422,907 34.399,908 82.075,910 149.151,911 235.422,912 152.275,913 113.35,915 0.573,916 0.361,917 0.206,918 0.112,919 19,920 10,921 0.13,922 7,923 1,924 1.125,925 3.776,926 241.879,927 0.125,928 16,929 126.606,933 20.234,934 8.668,935 4.181,936 1.15,937 152.275,938 7.515,939 12.495,943 4.062,945 65.794,946 501.047,947 38.5,956 52.545,957 59.355,958 0.288,959 0.643,960 0.786,961 0.818,962 0.827,963 0.855,964 4.914,965 1.47,966 5.838,967 5.758,968 4.443,969 5.004,970 1.938,971 6.678,972 4.31,973 6.141,974 1.076,975 7.42,976 4.019,977 4.111,978 4.956,979 0.325,980 7.636,981 3.937,982 7.47,983 1.006,984 9.097,985 2.565,986 6.071,987 7.288,988 1.656,989 10.722,990 5.834,991 8.835,992 0.421,993 10.828,994 2.167,995 6.524,996 8.023,997 0.393,998 12.453,999 6.238,1000 10.229,1001 0.396,1002 12.593,1003 0.782,1004 7.968,1005 9.865,1006 1.418,1007 15.065,1008 7.636,1009 11.644,1010 0.315,1011 14.38,1012 0.603,1013 8.781,1014 10.976,1015 0.384,1016 17.128,1017 8.397,1018 13.074,1019 0.017,1020 16.183,1021 0.408,1022 10.025,1023 12.616,1024 1.207,1025 19.565,1026 9.6,1027 3.114,1028 -0.388,1029 17.999,1030 0.033,1031 11.007,1032 13.916,1033 0.351,1034 21.774,1035 10.528,1036 3.07,1037 10.39,1038 19.825,1039 -0.786,1040 12.173,1041 15.468,1042 1.019,1043 24.144,1044 11.652,1045 2.699,1046 10.177,1047 21.659,1048 4.491,1049 13.231,1050 16.862,1051 0.312,1052 26.417,1053 12.658,1054 2.317,1055 8.843,1056 23.499,1057 4.12,1058 14.368,1059 18.375,1060 0.852,1061 28.76,1062 13.751,1063 2.061,1064 6.796,1065 25.345,1066 3.272,1067 15.461,1068 19.817,1069 0.273,1070 31.062,1071 14.794,1072 2.031,1073 6.118,1074 27.195,1075 3.043,1076 16.588,1077 21.313,1078 0.706,1079 33.395,1080 15.875,1081 1.947,1082 5.803,1083 29.048,1084 2.811,1085 17.698,1086 22.778,1087 0.236,1088 35.711,1089 16.936,1090 8821,1091 15237,1092 19.304,1093 33.25,1094 43.742,1095 45.107,1096 47.376,1097 43.778,1098 43.882,1099 57.111,1100 7.338,1101 128.927,1102 40.774,1103 5.379,1104 5.403,1105 6.098,1106 5.139,1107 5.114,1108 7.491,1109 1.776,1110 17.311,1111 4.97,1112 16.967,1113 1.458,1114 1.504,1115 1.579,1116 1.459,1117 1.463,1118 1.904,1119 0.245,1120 4.298,1121 1.359,1122 4.064,1123 4.105,1124 4.036,1125 3.94,1126 5.324,1127 3.958,1128 3.936,1129 3.955,1130 3.903,1131 3.823,1132 4.983,1133 3.839,1134 3.6,1135 3.662,1136 3.511,1137 3.406,1138 4.974,1139 3.422,1140 3.423,1141 3.501,1142 3.303,1143 3.229,1144 4.81,1145 3.233,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.235,1153 3.306,1154 3.03,1155 2.969,1156 4.468,1157 2.974,1158 3.177,1159 3.261,1160 3.003,1161 2.891,1162 4.324,1163 2.888,1164 3.109,1165 3.225,1166 2.946,1167 2.818,1168 4.149,1169 2.851,1170 0.151,1171 0.113,1172 0.219,1173 0.135,1174 0.104,1175 4.543,1176 0.15,1177 3.403,1178 0.031,1179 6.555,1180 0.346,1181 4.064,1182 0.099,1183 3.114,1184 4.491,1185 0.916,1186 10.39,1187 2.97,1188 1.981,1189 1.948,1190 2.048,1191 2.126,1192 1.22,1193 2.103,1194 1.873,1195 1.858,1196 1.95,1197 2.014,1198 1.072,1199 1.994,1200 1.55,1201 1.486,1202 1.798,1203 1.78,1204 0.945,1205 1.783,1206 1.384,1207 1.313,1208 1.59,1209 1.615,1210 0.692,1211 1.617,1212 1.227,1213 1.163,1214 1.588,1215 1.558,1216 0.584,1217 1.565,1218 1.188,1219 1.113,1220 1.57,1221 1.512,1222 0.572,1223 1.531,1224 1.15,1225 1.062,1226 1.523,1227 1.442,1228 0.556,1229 1.474,1230 1.006,1231 0.907,1232 1.289,1233 1.38,1234 0.226,1235 1.362,1236 4.111,1238 5.434,1240 6.969,1242 8.604,1244 10.29,1246 6.839,1250 11.611,1252 1.353,1254 16.319,1257 2.154,1262 32.014,1263 85.408,1264 190.648,1265 232.874,1266 242.384,1267 245.139,1268 253.403,1269 45.133,1270 7.345,1271 121.64,1272 121.64,1273 18,1274 12.577,1275 4.17,1276 3.248,1277 49.625,1278 107,1279 106,1280 0.227,1281 200.18,1282 338.73,1283 480.199,1284 14414,1286 20.259,1287 0.724,1288 0.585,1289 20.259,1290 16.392,1291 13.498,1292 0.45,1293 0.291,1294 8.509,1295 12.672,1296 8.191,1297 6.897,1298 13.498,1299 8.728,1300 11.701,1301 0.279,1302 0.145,1303 11.701,1304 6.079,1305 10.136,1306 0.178,1307 0.078,1308 10.136,1309 4.424,1310 8.705,1311 0.116,1312 0.041,1313 8.705,1314 3.038,1315 6.978,1316 0.074,1317 0.022,1318 6.978,1319 2.055,1320 0.354,1321 86.759,1322 0.228,1323 26.472,1324 0.632,1325 144,1326 470.412,1327 163.21,1328 444.281,1329 610.79,1330 418,1331 171,1332 453.242,1333 191.014,1334 461.059,1335 672.07,1336 427,1337 6.921}
{0 CHEMBL356722,1 1.616,2 11.067,3 2.722,4 7.409,5 117.021,6 7.651,7 0.667,8 4.091,9 4.222,10 3.676,11 3.555,12 5.273,13 3.568,14 4.578,15 4.756,16 4.029,17 3.924,18 5.71,19 3.924,20 4.712,21 4.879,22 4.131,23 4.075,24 5.813,25 4.058,26 4.874,27 5.06,28 4.162,29 4.162,30 6.007,31 4.111,32 5.047,33 5.291,34 4.02,35 4.173,36 6.034,37 4.088,38 4.949,39 5.196,40 3.916,41 4.086,42 5.894,43 3.989,44 4.88,45 5.13,46 3.861,47 4.031,48 5.807,49 3.939,50 4.828,51 5.076,52 3.856,53 4.009,54 5.777,55 3.909,56 0.088,57 0.841,58 10.691,59 4.038,60 13.225,61 5.446,62 0.385,63 1.256,64 19.996,65 6.852,66 32.281,67 9.185,68 0.348,69 1.47,70 21.76,71 7.661,72 21.373,73 10.649,74 0.439,75 1.659,76 26.234,77 9.583,78 39.913,79 13.378,80 0.7,81 1.741,82 35.508,83 10.126,84 61.478,85 15.061,86 0.521,87 1.545,88 32.249,89 10.46,90 48.275,91 15.061,92 0.488,93 1.434,94 30.456,95 9.77,96 44.043,97 14.087,98 0.384,99 1.383,100 28.427,101 9.954,102 38.5,103 14.449,104 30,105 47,106 0.266,107 0.645,108 0.782,109 0.813,110 0.825,111 0.831,112 3.441,113 0.847,114 -3.18,115 -3.17,116 -3.05,119 39.6,120 1,124 2,125 1,139 4,140 3,141 4,142 1,144 1,146 1,147 1,148 2,157 2,158 2,159 2,166 4,169 2,170 9,172 3,173 3,175 3,178 3,180 1,181 1,182 6,185 1,187 3,189 1,191 1,192 2,193 5,195 3,196 5,197 1,198 5,200 2,201 3,204 3,205 1,206 1,207 1,210 1,212 3,215 4,218 1,221 5,224 2,225 1,226 2,228 1,229 3,231 2,233 1,234 7,241 4,245 1,246 5,250 1,251 1,253 1,254 2,256 1,259 3,260 6,262 1,263 1,265 1,268 4,270 1,273 1402,274 20.394,275 20.394,276 20.394,277 20.394,278 20.394,279 17.702,280 28.407,281 11.763,282 21.134,283 16.136,284 16.136,285 16.136,286 16.136,287 16.136,288 11.963,289 39.467,290 5.372,291 17.153,292 4.112,293 1.813,294 0.986,295 0.797,296 0.722,297 0.684,298 4.134,301 1,302 1,303 716,304 3.082,306 75.759,307 259.476,311 137.073,314 1.471,315 24.632,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 65.5,327 332,328 4.654,329 3.336,330 6.835,331 4.186,332 3.213,333 4.616,334 0.86,335 11.231,336 3.13,337 4.479,338 3.295,339 6.574,340 4.068,341 3.115,342 4.185,343 0.86,344 10.487,345 2.967,346 3.992,347 2.944,348 6.035,349 3.573,350 2.648,351 3.523,352 0.657,353 8.613,354 2.448,355 3.907,356 2.739,357 5.801,358 3.501,359 2.545,360 3.411,362 7.861,363 2.428,364 3.538,365 2.36,366 5.238,367 3.119,368 2.177,369 2.906,371 6.357,372 2.047,373 3.452,374 2.195,375 5.095,376 2.972,377 2.036,378 2.86,380 5.898,381 1.901,382 3.377,383 2.131,384 5.007,385 2.897,386 1.971,387 2.702,389 5.787,390 1.818,391 3.056,392 2.045,393 4.531,394 2.636,395 1.695,396 2.254,398 4.559,399 1.593,400 2.709,401 1.669,402 4.252,403 2.326,404 1.379,405 1.779,407 3.567,408 1.302,409 2.515,410 1.469,411 3.835,412 2.146,413 1.227,414 1.52,415 2.846,416 1.118,417 2.118,418 1.078,419 3.321,420 1.745,421 0.805,422 1.014,423 1.902,424 0.754,425 2.102,426 0.936,427 3.158,428 1.591,429 0.636,430 0.927,431 1.372,432 0.6,433 1.869,434 0.823,435 3,436 1.546,437 0.618,438 0.765,439 1.334,440 0.574,441 1.488,442 0.618,443 2.841,444 1.21,445 0.357,446 0.39,448 0.5,449 0.302,450 1.362,451 0.375,452 2.813,453 1,454 0.078,455 0.096,457 0.171,458 0.071,459 13.967,460 0.466,461 0.746,462 0.025,463 43.25,464 1.442,465 22.5,466 0.75,467 20.75,468 0.692,469 23.031,470 0.768,471 32.233,472 0.608,473 34.228,474 1.141,475 8.831,476 0.294,477 5.681,478 0.189,479 0.165,481 0.387,485 1.052,486 1.413,487 0.794,488 1.1,489 1.181,490 0.92,491 1.172,492 0.897,493 0.765,494 0.763,495 0.734,496 0.715,497 0.966,498 1.28,499 0.919,500 1.091,501 0.849,502 1.005,503 0.752,504 1.246,505 1.028,506 1.3,507 0.669,508 1.234,509 1.251,510 0.949,511 1.201,512 0.96,513 1.284,514 1.046,515 1.03,516 0.901,517 1.061,518 1.036,519 0.906,520 1.055,521 1.095,522 0.847,523 1.008,524 0.92,525 0.946,526 0.947,527 0.726,528 0.979,529 0.862,530 1.039,531 0.666,532 0.993,533 6,534 0.232,535 3.778,536 2.528,537 2.293,538 1.08,539 0.602,540 0.539,541 0.396,542 0.338,543 11312,544 31647,545 2.067,546 43.4,547 3,548 12,549 2,550 1,551 5,555 1.731,556 1.915,557 3.402,558 2.452,560 1,564 85.648,565 1.616,566 3.915,567 4.742,568 4.93,569 5.006,570 5.044,571 2.799,572 4.574,573 4.882,574 3.57,575 1552.82,576 8.531,577 21337.1,579 1,581 1,582 303.58,583 1.475,584 4.828,585 0.182,586 0.008,587 0.08,588 0.05,589 0.046,590 0.026,591 0.016,592 0.015,593 0.011,594 0.01,595 0.443,596 0.17,597 1,598 0.855,599 152.977,600 -0.134,601 -0.188,602 0.04,603 -0.057,604 -0.235,605 0.018,606 -0.026,607 0.205,608 0.164,609 0.243,610 0.145,611 0.229,612 -0.01,613 -0.139,614 -0.035,615 -0.071,616 -0.042,617 -0.055,618 0.139,619 -0.146,620 -0.128,621 -0.286,622 0.181,623 -0.27,624 -0.191,625 0.04,626 -0.207,627 -0.013,628 -0.269,629 -0.093,630 -0.069,631 0.044,632 -0.073,633 -0.041,634 -0.046,635 -0.054,636 -0.12,637 0.083,638 -0.012,639 0.082,640 -0.093,641 0.061,642 0.079,643 -0.057,644 0.111,646 0.118,647 0.05,648 1.556,649 2.067,650 0.7,651 25.982,652 1.008,653 1.136,654 1.948,655 3.795,656 0.661,657 3.526,658 3.871,659 4.19,660 4.477,661 4.673,662 4.796,663 4.86,664 4.942,665 5.024,666 5.063,667 6.574,668 0.638,669 405.51,670 3.526,671 5.081,672 5.953,673 6.849,674 7.736,675 8.636,676 9.528,677 10.43,678 11.323,679 12.225,680 13.2,684 2,685 1,688 1,690 3,694 2,695 7,696 3,700 8,701 1,702 22,711 2,712 1,716 2,718 53,719 22,720 1,721 33,723 56,724 21,725 17,726 4,727 2,729 4,730 5,734 1,741 17,742 4,754 1,757 23,758 8,759 5,760 9,764 7,769 0.75,770 2,775 1,776 1,777 1,780 1,781 3,785 1,802 3,806 3,810 30,811 2,816 1,817 1,818 2,829 3.8,834 2,836 15.667,837 10.383,838 6.694,839 2.771,840 4.193,841 1.541,842 1.006,843 5.656,844 11.94,845 3.807,846 4.48,847 5.138,848 5.767,849 6.293,850 6.654,851 6.987,852 7.331,853 7.685,854 7.845,855 1,856 51,857 10.981,859 4.583,860 7.722,861 20.774,863 16.576,865 2.222,866 66.667,869 1,870 211.88,871 128.631,872 136.061,874 22,877 128.631,878 233.88,879 136.061,880 30.591,881 2.106,882 121.794,883 80.138,884 59.606,885 27.769,886 176.567,888 211.88,889 264.692,890 22,893 213.595,894 22,897 23.777,898 170.833,899 68.367,901 211.88,902 158.061,903 128.631,906 211.88,907 32.992,908 97.538,909 18.011,910 138.151,911 211.88,912 158.061,913 128.631,915 0.582,916 0.361,917 0.204,918 0.105,919 23,920 11,921 0.107,922 6,923 1,924 1.095,925 4.015,926 275.308,927 0.095,928 21,929 143.207,933 20.255,934 8.378,935 3.893,936 1.196,937 156.161,938 13.484,939 12.638,943 5.45,944 2.004,945 83.805,946 498.571,947 44,956 53.436,957 60.229,958 0.282,959 0.684,960 0.828,961 0.861,962 0.874,963 0.881,964 5.047,965 1.695,966 5.953,967 5.787,968 4.554,969 5.168,970 1.573,971 6.806,972 4.443,973 6.285,974 1.379,975 7.541,976 4.559,977 4.205,978 5.094,980 7.789,981 4.058,982 7.618,983 1.227,984 9.227,985 3.567,986 6.188,987 7.474,988 1.27,989 10.91,990 5.99,991 8.991,992 0.805,993 10.972,994 2.846,995 6.661,996 8.228,998 12.706,999 6.433,1000 10.395,1001 0.636,1002 12.754,1003 1.902,1004 8.11,1005 10.074,1006 1.022,1007 15.353,1008 7.842,1009 11.82,1010 0.618,1011 14.561,1012 1.372,1013 8.953,1014 11.216,1016 17.489,1017 8.657,1018 13.263,1019 0.357,1020 16.387,1021 1.334,1022 10.206,1023 12.855,1024 0.818,1025 19.974,1026 9.875,1027 3.213,1028 0.078,1029 18.227,1030 0.5,1031 11.217,1032 14.187,1034 22.256,1035 10.859,1036 3.115,1037 11.231,1038 20.078,1039 0.171,1040 12.397,1041 15.743,1042 0.65,1043 24.682,1044 12.009,1045 2.648,1046 10.487,1047 21.938,1048 4.616,1049 13.484,1050 17.168,1052 27.029,1053 13.067,1054 2.545,1055 8.613,1056 23.805,1057 4.185,1058 14.64,1059 18.693,1060 0.511,1061 29.435,1062 14.195,1063 2.177,1064 7.861,1065 25.679,1066 3.523,1067 15.761,1068 20.163,1070 31.811,1071 15.287,1072 2.036,1073 6.357,1074 27.558,1075 3.411,1076 16.911,1077 21.677,1078 0.399,1079 34.212,1080 16.409,1081 1.971,1082 5.898,1083 29.441,1084 2.906,1085 18.048,1086 23.17,1088 36.601,1089 17.518,1090 10844,1091 18282,1092 21.789,1093 35.04,1094 49.235,1095 49.846,1096 51.302,1097 48.941,1098 49,1099 65.894,1100 4.755,1101 144.973,1102 46.107,1103 5.503,1104 5.336,1105 6.43,1106 5.261,1107 5.213,1108 7.616,1109 1.72,1110 18.469,1111 5.13,1112 16.111,1113 1.492,1114 1.51,1115 1.555,1116 1.483,1117 1.485,1118 1.997,1119 0.144,1120 4.393,1121 1.397,1122 4.09,1123 4.129,1124 4.06,1125 3.973,1126 5.322,1127 3.99,1128 4.015,1129 4.053,1130 3.982,1131 3.897,1132 4.982,1133 3.913,1134 3.766,1135 3.798,1136 3.704,1137 3.647,1138 4.967,1139 3.655,1140 3.553,1141 3.618,1142 3.484,1143 3.362,1144 4.805,1145 3.385,1146 3.293,1147 3.366,1148 3.167,1149 3.036,1150 4.76,1151 3.055,1152 3.243,1153 3.311,1154 3.05,1155 2.949,1156 4.496,1157 2.957,1158 3.171,1159 3.265,1160 3.048,1161 2.941,1162 4.344,1163 2.948,1164 3.074,1165 3.174,1166 2.905,1167 2.809,1168 4.163,1169 2.823,1170 0.141,1171 0.101,1172 0.207,1173 0.127,1174 0.097,1175 4.654,1176 0.14,1177 3.336,1178 0.026,1179 6.835,1180 0.34,1181 4.186,1182 0.095,1183 3.213,1184 4.616,1185 0.86,1186 11.231,1187 3.13,1188 1.999,1189 1.968,1190 2.062,1191 2.134,1192 1.231,1193 2.113,1194 1.898,1195 1.878,1196 1.964,1197 2.033,1198 1.111,1199 2.012,1200 1.482,1201 1.438,1202 1.67,1203 1.716,1204 0.74,1205 1.7,1206 1.48,1207 1.421,1208 1.636,1209 1.651,1210 0.694,1211 1.63,1212 1.391,1213 1.338,1214 1.595,1215 1.593,1216 0.622,1217 1.622,1218 1.22,1219 1.14,1220 1.575,1221 1.527,1222 0.574,1223 1.541,1224 1.182,1225 1.098,1226 1.534,1227 1.488,1228 0.559,1229 1.506,1230 1.125,1231 1.038,1232 1.442,1233 1.397,1234 0.516,1235 1.411,1236 4.205,1238 5.541,1239 2.398,1240 7.081,1241 4.443,1242 8.722,1243 6.293,1244 10.418,1246 5.203,1250 11.749,1252 0.516,1253 3.478,1254 10.947,1262 33.794,1263 85.648,1264 207.51,1265 251.315,1266 261.315,1267 265.315,1268 267.315,1269 42.815,1270 7.748,1271 126.13,1272 126.13,1273 23,1274 12.747,1275 4.524,1276 3.585,1277 46.916,1278 120,1279 116,1280 0.192,1281 208.915,1282 347,1283 501.512,1284 24876,1286 21.25,1287 0.708,1288 0.567,1289 21.25,1290 17.009,1291 14.512,1292 0.44,1293 0.282,1294 9.125,1295 13.774,1296 8.828,1297 7.394,1298 14.512,1299 9.319,1300 12.942,1301 0.275,1302 0.143,1303 12.942,1304 6.742,1305 11.355,1306 0.175,1307 0.077,1308 11.355,1309 4.988,1310 9.911,1311 0.114,1312 0.039,1313 9.911,1314 3.42,1315 7.335,1316 0.069,1317 0.02,1318 7.335,1319 2.12,1320 0.299,1321 92.177,1322 0.214,1323 28.015,1324 0.534,1325 160,1326 479.009,1327 178.052,1328 463.223,1329 646.94,1330 436,1331 192,1332 492.091,1333 210.774,1334 501.436,1335 733.16,1336 468,1337 5.456}
{0 CHEMBL357573,1 1.622,2 9.182,3 3.277,4 10.74,5 94.131,6 7.996,7 0.522,8 3.783,9 3.938,10 3.387,11 3.264,12 4.982,13 3.248,14 4.241,15 4.446,16 3.726,17 3.61,18 5.39,19 3.562,20 4.429,21 4.654,22 3.859,23 3.72,24 5.546,25 3.678,26 4.415,27 4.603,28 3.833,29 3.736,30 5.626,31 3.685,32 4.535,33 4.764,34 3.741,35 3.749,36 5.67,37 3.677,38 4.595,39 4.871,40 3.666,41 3.72,42 5.595,43 3.591,44 4.477,45 4.755,46 3.678,47 3.561,48 5.559,49 3.42,50 4.228,51 4.5,52 3.235,53 3.298,54 5.282,55 3.125,56 0.117,57 0.63,58 7.928,59 2.958,60 13.654,61 4.247,62 0.219,63 0.885,64 14.692,65 5.233,66 24.681,67 7.526,68 0.302,69 0.991,70 20.484,71 5.184,72 29.565,73 8.071,74 0.288,75 1.021,76 20.006,77 5.403,78 33.293,79 8.055,80 0.341,81 1.08,82 20.38,83 5.279,84 41.801,85 8.529,86 0.357,87 0.983,88 24.725,89 7.11,90 42.704,91 10.897,92 0.458,93 0.769,94 26.886,95 6.31,96 50.433,97 9.681,98 0.385,99 0.566,100 24.781,101 5.38,102 39.893,103 7.696,104 33,105 31,106 0.29,107 0.674,108 0.808,109 0.875,110 0.875,111 0.875,112 3.147,113 0.95,114 -4.29,115 -4.23,116 -3.99,119 35,120 2,121 1,125 1,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 1,163 1,166 5,169 1,170 4,172 3,173 4,175 2,178 6,180 1,182 5,187 4,189 6,191 1,193 9,195 1,196 1,197 1,198 8,200 2,201 4,204 5,205 1,207 8,212 4,215 4,218 4,221 2,224 2,225 1,226 3,228 1,229 2,231 2,233 2,234 3,236 1,237 1,239 3,241 4,243 2,245 2,246 2,248 1,249 1,250 1,253 1,254 3,260 1,262 1,263 1,265 1,270 1,273 660,274 14.723,275 14.723,276 14.723,277 14.723,278 14.723,279 12.921,280 17.802,281 8.858,282 15.121,283 11.242,284 11.242,285 11.242,286 11.242,287 11.242,288 8.496,289 17.007,290 4.066,291 11.906,292 3.7,293 1.558,294 0.807,295 0.438,296 0.438,297 0.438,298 3.805,299 1,300 1,301 1,302 1,303 409,304 2.915,307 146.605,314 1.38,315 20.023,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 47.833,327 202,328 4.533,329 3.277,330 6.77,331 4.146,332 3.171,333 4.253,335 11.075,336 3.094,337 4.162,338 3.108,339 6.045,340 3.718,341 2.788,342 3.784,344 8.664,345 2.573,346 3.618,347 2.385,348 5.304,349 3.188,350 2.261,351 2.995,353 6.619,354 2.087,355 3.3,356 2.226,357 5.038,358 2.933,359 1.985,360 2.549,362 5.702,363 1.877,364 3.187,365 2.041,366 4.756,367 2.734,368 1.774,369 2.356,371 4.934,372 1.694,373 3.088,374 1.883,375 4.261,376 2.629,377 1.701,378 2.24,380 4.073,381 1.55,382 2.817,383 1.643,384 3.587,385 2.362,386 1.414,387 1.901,389 2.956,390 1.308,391 1.868,392 0.85,393 3.328,394 1.71,395 0.732,396 0.811,398 1.334,399 0.711,400 1.741,401 0.734,402 2.913,403 1.545,404 0.574,405 0.646,407 1.098,408 0.548,409 1.428,410 0.455,411 2.746,412 1.076,413 0.175,414 0.207,415 0.319,416 0.143,417 1.214,418 0.048,419 2.45,420 0.837,421 -0.104,422 -0.129,423 -0.217,424 -0.094,425 0.854,426 -0.258,427 2.273,428 0.45,429 -0.466,430 -0.568,431 -0.952,432 -0.394,433 0.815,434 -0.305,435 2.229,436 0.419,437 -0.489,438 -0.593,439 -1.151,440 -0.438,441 0.507,442 -0.673,443 1.891,444 0.129,445 -0.852,446 -0.986,448 -1.949,449 -0.811,450 0.236,451 -0.787,452 1.558,453 0.015,454 -0.918,455 -1.118,457 -2.218,458 -0.843,459 10.514,460 0.478,461 0.524,462 0.024,463 28.25,464 1.284,465 14.5,466 0.659,467 13.75,468 0.625,469 17.358,470 0.789,471 24.286,472 0.607,473 20.137,474 0.915,475 5.574,476 0.253,477 4.988,478 0.227,479 0.239,481 0.333,485 0.861,486 1.199,487 0.676,488 0.914,489 1.097,490 0.893,491 0.56,492 1.031,493 0.61,494 0.898,495 0.493,496 0.859,497 1.159,498 1.112,499 0.855,500 0.799,501 0.974,502 0.769,503 1.144,504 1.389,505 1.179,506 1.273,507 0.958,508 1.174,509 1.24,510 1.255,511 0.934,512 1.067,513 1.337,514 1.141,515 0.81,516 0.977,517 0.781,518 0.936,519 0.978,520 0.983,521 0.838,522 0.893,523 1.082,524 1.039,525 0.816,526 0.988,527 1.372,528 0.787,529 1.863,530 1.261,531 1.231,532 1.166,533 4.5,534 0.054,535 2.444,536 2.063,537 1.418,538 0.847,539 0.627,540 0.302,541 0.193,542 0.086,543 4203,544 13296,545 1.944,546 45,547 3,548 5,551 5,552 2,553 3,555 1.65,556 1.784,557 3.148,558 2.824,559 1,560 1,562 1,564 64.864,565 1.622,566 3.763,567 4.515,568 4.884,569 4.884,570 4.884,571 2.681,572 4.187,573 4.425,574 3.275,575 756.548,576 7.629,577 8224.14,578 1,579 1,580 1,581 1,582 212.877,583 1.529,584 4.365,585 0.196,586 0.008,587 0.079,588 0.061,589 0.043,590 0.029,591 0.025,592 0.014,593 0.014,594 0.009,595 0.477,597 1,598 1.611,599 100.349,600 -0.028,601 0.118,602 -0.003,603 0.084,604 -0.204,605 0.052,606 0.247,607 0.114,608 0.163,609 0.113,610 0.255,611 0.128,612 -0.142,613 -0.028,614 0.085,615 0.173,616 -0.081,617 0.183,618 -0.108,619 -0.227,620 -0.191,621 -0.265,622 0.018,623 -0.225,624 -0.277,625 -0.141,626 -0.186,627 -0.166,628 -0.278,629 -0.233,630 0.047,631 -0.047,632 0.083,633 0.025,634 -0.05,635 0.007,636 0.243,637 -0.036,638 0.142,639 -0.021,640 0.215,641 0.019,642 -0.069,643 0.029,644 -0.276,645 -0.177,646 -0.065,647 -0.146,648 1.498,649 2.044,650 0.545,651 17.455,652 1.008,653 1.148,654 3.062,655 9.373,656 0.662,657 3.178,658 3.466,659 3.714,660 3.97,661 4.159,662 4.205,663 4.22,664 4.19,665 4.143,666 4.007,667 5.324,668 0.628,669 319.84,670 3.178,671 4.691,672 5.525,673 6.399,674 7.259,675 8.144,676 9.014,677 9.904,678 10.78,679 11.671,680 17.5,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 40,719 13,720 1,721 23,723 41,724 14,725 10,726 3,727 3,729 2,730 2,731 1,734 2,739 1,741 10,742 4,744 1,750 2,753 1,754 1,757 18,758 7,759 5,760 8,761 1,764 7,769 1,776 1,781 2,802 2,806 2,807 1,810 22,811 2,816 2,817 1,828 1,836 12.333,837 7.61,838 5.111,839 2.474,840 2.59,841 1.399,842 0.959,843 5.524,844 9.083,845 3.434,846 4.025,847 4.59,848 5.17,849 5.711,850 5.983,851 6.279,852 6.597,853 6.854,854 7.052,855 1,856 34,857 8.022,859 3.227,860 7.831,861 15.026,863 11.483,865 2.331,866 51.278,869 1,870 153.024,871 70.332,872 150.457,873 39.149,877 70.332,878 192.173,879 150.457,880 17.65,881 22.528,882 94.223,883 33.571,884 15.385,885 37.431,886 153.024,887 39.149,888 153.024,889 220.789,891 39.149,893 117.711,894 35.313,897 44.835,898 109.18,899 105.923,901 153.024,902 150.457,903 109.48,906 153.024,907 24.253,908 46.079,909 17.888,910 171.718,911 153.024,912 150.457,913 109.48,915 0.564,916 0.334,917 0.186,918 0.103,919 13,920 7,921 0.122,922 5,924 1,925 3.282,926 164.907,928 12,929 98.107,933 16.461,934 7.383,935 3.855,937 150.457,938 5.451,939 8.283,943 4.057,945 83.683,946 412.962,947 30,953 7.706,956 40.338,957 45.923,958 0.305,959 0.707,960 0.848,961 0.918,962 0.918,963 0.918,964 4.644,965 0.732,966 5.509,967 2.956,968 4.143,969 4.71,971 6.323,972 4.035,973 5.859,974 0.574,975 7.072,976 1.334,977 3.761,978 4.559,980 7.265,981 3.568,982 7.17,983 0.175,984 8.74,985 1.098,986 5.727,987 6.918,989 10.379,990 5.536,991 8.519,992 -0.104,993 10.469,994 0.319,995 6.155,996 7.56,998 12.164,999 5.899,1000 9.899,1001 -0.466,1002 12.237,1003 -0.217,1004 7.61,1005 9.413,1007 14.81,1008 7.353,1009 11.301,1010 -0.489,1011 14.034,1012 -0.952,1013 8.423,1014 10.441,1016 16.953,1017 8.123,1018 12.722,1019 -0.852,1020 15.852,1021 -1.151,1022 9.678,1023 12.075,1025 19.435,1026 9.369,1027 3.171,1028 -0.918,1029 17.686,1030 -1.949,1031 10.67,1032 13.299,1034 21.729,1035 10.332,1036 2.788,1037 11.075,1038 19.533,1039 -2.218,1040 11.848,1041 14.828,1043 24.154,1044 11.495,1045 2.261,1046 8.664,1047 21.39,1048 4.253,1049 12.921,1050 16.153,1052 26.51,1053 12.546,1054 1.985,1055 6.619,1056 23.256,1057 3.784,1058 14.071,1059 17.633,1061 28.917,1062 13.68,1063 1.774,1064 5.702,1065 25.129,1066 2.995,1067 15.181,1068 19.01,1070 31.299,1071 14.77,1072 1.701,1073 4.934,1074 27.008,1075 2.549,1076 16.323,1077 20.466,1079 33.701,1080 15.895,1081 1.414,1082 4.073,1083 28.892,1084 2.356,1085 17.45,1086 21.871,1088 36.095,1089 17.003,1090 4397,1091 7942,1092 14.622,1093 26.466,1094 33.398,1095 33.867,1096 35.583,1097 33.299,1098 33.151,1099 43.487,1101 93.55,1102 31.171,1103 5.254,1104 5.277,1105 6.679,1106 5.216,1107 5.171,1108 7.253,1110 17.964,1111 5.094,1112 13.026,1113 1.452,1114 1.472,1115 1.547,1116 1.448,1117 1.441,1118 1.891,1120 4.067,1121 1.355,1122 4.013,1123 4.047,1124 4.052,1125 3.935,1126 5.286,1127 3.938,1128 3.768,1129 3.82,1130 3.823,1131 3.629,1132 5.015,1133 3.643,1134 3.551,1135 3.643,1136 3.434,1137 3.319,1138 4.974,1139 3.319,1140 3.392,1141 3.485,1142 3.288,1143 3.193,1144 4.819,1145 3.184,1146 3.145,1147 3.249,1148 3.204,1149 2.908,1150 4.466,1151 2.928,1152 3.071,1153 3.187,1154 2.982,1155 2.821,1156 4.238,1157 2.831,1158 2.875,1159 2.959,1160 2.893,1161 2.621,1162 3.967,1163 2.64,1164 2.726,1165 2.826,1166 2.596,1167 2.434,1168 3.965,1169 2.461,1170 0.197,1171 0.142,1172 0.294,1173 0.18,1174 0.138,1175 4.533,1176 0.185,1177 3.277,1179 6.77,1180 0.482,1181 4.146,1182 0.135,1183 3.171,1184 4.253,1186 11.075,1187 3.094,1188 1.959,1189 1.935,1190 2.026,1191 2.065,1192 1.193,1193 2.055,1194 1.709,1195 1.665,1196 1.857,1197 1.885,1198 1.011,1199 1.873,1200 1.513,1201 1.423,1202 1.816,1203 1.762,1204 0.95,1205 1.78,1206 1.382,1207 1.296,1208 1.617,1209 1.633,1210 0.603,1211 1.653,1212 1.044,1213 0.962,1214 1.271,1215 1.391,1216 0.232,1217 1.369,1218 0.982,1219 0.898,1220 1.236,1221 1.343,1222 0.137,1223 1.323,1224 0.813,1225 0.715,1226 1.123,1227 1.099,1228 0.124,1229 1.118,1230 0.68,1231 0.564,1232 1.052,1233 0.98,1234 0.051,1235 1.009,1236 3.85,1238 5.142,1240 6.642,1242 8.252,1244 9.92,1246 3.873,1247 6.155,1250 11.667,1252 1.274,1253 2.812,1262 25.138,1263 64.864,1264 150.538,1265 180.612,1266 195.367,1267 195.367,1268 195.367,1269 37.766,1270 6.494,1271 114.57,1272 114.57,1273 12,1274 12.202,1275 3.807,1276 3,1277 42.037,1278 68,1279 88,1280 0.308,1281 165.678,1282 277.97,1283 396.013,1284 4627,1285 2.5,1286 16.113,1287 0.732,1288 0.601,1289 16.613,1290 13.224,1291 10.562,1292 0.459,1293 0.317,1294 6.84,1295 9.847,1296 6.606,1297 5.556,1298 10.851,1299 7.284,1300 9.106,1301 0.294,1302 0.159,1303 9.477,1304 4.914,1305 7.331,1306 0.183,1307 0.083,1308 7.711,1309 3.331,1310 6.175,1311 0.119,1312 0.042,1313 6.41,1314 2.203,1315 4.756,1316 0.075,1317 0.023,1318 5.009,1319 1.459,1320 0.47,1321 69.396,1322 0.262,1323 21.464,1324 0.883,1325 108,1326 329.741,1327 134.454,1328 357.801,1329 482.53,1330 332,1331 125,1332 344.579,1333 147.36,1334 357.164,1335 515.75,1336 336,1337 4.724}
{0 CHEMBL357629,1 1.521,2 11.621,3 3.381,4 11.428,5 116.261,6 7.578,7 0.719,8 4.038,9 4.169,10 3.618,11 3.579,12 5.212,13 3.569,14 4.511,15 4.683,16 3.967,17 3.952,18 5.644,19 3.923,20 4.698,21 4.873,22 4.072,23 4.105,24 5.773,25 4.061,26 4.832,27 5.031,28 4.028,29 4.131,30 5.931,31 4.051,32 4.938,33 5.198,34 3.849,35 4.096,36 5.895,37 3.987,38 4.812,39 5.075,40 3.778,41 3.991,42 5.733,43 3.874,44 4.701,45 4.939,46 3.761,47 3.913,48 5.665,49 3.825,50 4.66,51 4.885,52 3.729,53 3.906,54 5.641,55 3.811,56 0.047,57 0.794,58 10.112,59 4.094,60 12.128,61 5.421,62 0.244,63 1.212,64 17.988,65 7.127,66 26.45,67 9.456,68 0.161,69 1.447,70 21.467,71 8.278,72 18.438,73 11.394,74 0.285,75 1.604,76 25.66,77 9.784,78 39.558,79 13.469,80 0.397,81 1.658,82 31.801,83 9.768,84 52.047,85 14.32,86 0.285,87 1.419,88 28.121,89 10.085,90 39.057,91 14.514,92 0.291,93 1.261,94 24.77,95 8.657,96 35.003,97 12.101,98 0.224,99 1.226,100 23.216,101 8.733,102 30.62,103 11.972,104 18,105 45,106 0.252,107 0.619,108 0.761,109 0.846,110 0.864,111 0.864,112 3.408,113 0.863,114 -4.81,115 -4.72,116 -4.43,119 43.1,120 1,124 1,125 1,139 8,140 5,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 13,169 2,170 5,172 3,173 3,175 3,178 15,180 1,182 5,185 1,187 4,189 11,191 1,192 1,193 6,195 3,196 4,197 1,198 7,200 2,201 8,204 3,205 1,207 2,212 3,215 7,218 1,221 4,224 2,225 1,226 4,228 1,229 7,231 2,233 1,234 6,239 1,241 8,246 5,250 1,251 1,253 1,254 8,256 1,259 2,260 6,262 1,263 1,265 2,268 7,270 2,273 1297,274 19.731,275 19.731,276 19.731,277 19.731,278 19.731,279 16.91,280 19.439,281 11.524,282 20.192,283 15.715,284 15.715,285 15.715,286 15.715,287 15.715,288 11.474,289 27.377,290 5.364,291 16.374,292 4.151,293 1.939,294 1.079,295 0.569,296 0.461,297 0.461,298 4.105,301 1,302 1,303 733,304 2.828,307 341.163,311 130.412,314 1.565,315 21.341,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 62,327 337,328 4.654,329 3.317,330 6.835,331 4.185,332 3.212,333 4.616,334 0.86,335 11.231,336 3.13,337 4.351,338 3.14,339 6.281,340 3.963,341 2.983,342 4.025,343 0.657,344 9.535,345 2.93,346 3.987,347 2.76,348 5.981,349 3.614,350 2.643,351 3.509,353 8.487,354 2.555,355 3.895,356 2.713,357 5.795,358 3.481,359 2.524,360 3.404,362 7.839,363 2.415,364 3.454,365 2.233,366 5.097,367 2.99,368 2.055,369 2.861,371 5.917,372 1.915,373 3.388,374 2.065,375 5.009,376 2.904,377 1.983,378 2.712,380 5.795,381 1.823,382 3.275,383 1.987,384 4.517,385 2.806,386 1.815,387 2.613,389 4.592,390 1.796,391 2.927,392 1.818,393 4.375,394 2.562,395 1.623,396 2.065,398 4.243,399 1.519,400 2.703,401 1.591,402 4.219,403 2.297,404 1.344,405 1.774,407 3.509,408 1.278,409 2.645,410 1.246,411 3.511,412 2.166,413 1.177,414 1.712,415 2.709,416 1.162,417 2.5,418 1,419 3.349,420 2,421 1,422 1.5,423 2.136,424 1,425 2.051,426 0.962,427 3.247,428 1.741,429 0.794,430 0.969,431 1.872,432 0.749,433 1.733,434 0.944,435 2.975,436 1.435,437 0.544,438 0.624,439 0.966,440 0.48,441 1.354,442 0.338,443 2.824,444 0.979,445 0.054,446 0.067,448 0.122,449 0.05,450 1.188,451 0.109,452 2.748,453 0.836,454 -0.116,455 -0.142,457 -0.299,458 -0.11,459 13.733,460 0.474,461 0.695,462 0.024,463 43,464 1.483,465 24,466 0.828,467 19,468 0.655,469 20.951,470 0.722,471 30.067,472 0.59,473 32.495,474 1.121,475 8.674,476 0.299,477 5.389,478 0.186,479 0.131,481 0.364,485 1.058,486 1.183,487 0.81,488 0.951,489 1.224,490 0.856,491 0.934,492 0.85,493 0.774,494 0.838,495 0.634,496 0.805,497 0.927,498 1.235,499 0.923,500 1.092,501 0.825,502 1.021,503 0.876,504 1.202,505 1.103,506 1.274,507 0.736,508 1.24,509 1.3,510 0.908,511 1.202,512 0.933,513 1.32,514 1.02,515 0.763,516 0.857,517 0.919,518 0.991,519 0.766,520 0.979,521 1.204,522 0.887,523 0.975,524 0.94,525 0.968,526 0.936,527 1.161,528 1.008,529 1.009,530 1.071,531 0.9,532 1.047,533 5.5,534 0.206,535 3.556,536 2.25,537 1.853,538 1.007,539 0.487,540 0.439,541 0.353,542 0.247,543 10958,544 28715,545 2.09,546 43.1,547 3,548 13,550 1,551 5,555 1.72,556 1.955,557 3.49,558 2.425,560 1,564 77.569,565 1.521,566 3.733,567 4.594,568 5.103,569 5.211,570 5.211,571 2.876,572 4.582,573 4.833,574 3.632,575 1474.49,576 8.417,577 19982.4,579 1,581 1,582 289.294,583 1.416,584 4.788,585 0.172,586 0.008,587 0.079,588 0.046,589 0.042,590 0.028,591 0.014,592 0.013,593 0.011,594 0.008,595 0.421,597 1,598 0.729,599 147.337,600 -0.132,601 -0.015,602 0.026,603 0.046,604 -0.256,605 0.062,606 0.126,607 0.232,608 0.129,609 0.163,610 0.193,611 0.14,612 -0.012,613 -0.158,614 -0.031,615 -0.095,616 -0.037,617 -0.07,618 0.095,619 -0.164,620 -0.176,621 -0.291,622 0.151,623 -0.285,624 -0.264,625 0.088,626 -0.197,627 0.006,628 -0.295,629 -0.064,630 0.098,631 0.066,632 0.08,633 0.011,634 0.083,635 0.04,636 -0.041,637 0.049,638 0.027,639 0.058,640 -0.042,641 0.056,642 -0.062,643 -0.079,644 -0.03,645 -0.049,646 -0.018,647 -0.043,648 1.546,649 2.052,650 0.759,651 25.677,652 1,653 1.128,654 3.582,655 12.829,656 0.678,657 3.497,658 3.829,659 4.127,660 4.394,661 4.615,662 4.682,663 4.762,664 4.844,665 4.934,666 4.997,667 6.742,668 0.648,669 386.5,670 3.497,671 5.043,672 5.905,673 6.79,674 7.665,675 8.555,676 9.435,677 10.327,678 11.21,679 12.103,680 11.8,684 2,685 1,690 3,694 2,695 9,696 3,700 8,702 23,711 2,712 1,716 1,718 51,719 23,720 2,721 32,723 54,724 22,725 19,726 4,727 8,729 4,730 5,734 1,741 19,742 3,754 1,757 22,758 7,759 5,760 7,764 6,769 0.75,770 1,775 1,776 1,781 4,785 1,802 3,806 2,810 29,811 2,816 1,817 1,818 1,829 2,834 1,836 14.833,837 9.683,838 6.417,839 2.768,840 4.372,841 1.565,842 1.021,843 5.299,844 12.107,845 3.795,846 4.46,847 5.104,848 5.721,849 6.305,850 6.586,851 6.952,852 7.309,853 7.679,854 7.864,855 0.875,856 49,857 10.624,859 4.451,860 7.678,861 20.24,863 16.331,865 2.178,866 63.167,868 1,869 1,870 200.109,871 135.929,872 134.162,874 11,877 135.929,878 211.109,879 134.162,880 19.708,881 2.106,882 141.604,883 80.138,884 45.078,885 4.227,886 188.338,888 200.109,889 270.091,890 11,893 201.824,894 11,897 21.877,898 178.131,899 68.367,901 200.109,902 145.162,903 135.929,906 200.109,907 31.363,908 104.566,909 18.011,910 127.151,911 200.109,912 145.162,913 135.929,915 0.582,916 0.352,917 0.196,918 0.103,919 22,920 10,921 0.093,922 5,923 1,924 1.091,925 4.024,926 258.07,927 0.091,928 22,929 136.881,933 19.124,934 8.035,935 3.856,936 1.225,937 145.162,938 18.085,939 12.624,943 6.336,945 83.805,946 481.199,947 43.5,956 51.007,957 57.521,958 0.268,959 0.658,960 0.81,961 0.9,962 0.919,963 0.919,964 5.022,965 1.623,966 5.894,967 4.592,968 4.511,969 5.147,970 1.207,971 6.723,972 4.436,973 6.253,974 1.344,975 7.466,976 4.243,977 4.111,978 5.007,980 7.662,981 4.013,982 7.576,983 1.177,984 9.138,985 3.509,986 6.12,987 7.436,988 0.903,989 10.774,990 5.989,991 8.937,992 1,993 10.869,994 2.709,995 6.538,996 8.119,998 12.541,999 6.39,1000 10.33,1001 0.794,1002 12.639,1003 2.136,1004 8.017,1005 10.02,1006 0.678,1007 15.177,1008 7.842,1009 11.745,1010 0.544,1011 14.435,1012 1.872,1013 8.817,1014 11.109,1016 17.293,1017 8.625,1018 13.179,1019 0.054,1020 16.251,1021 0.966,1022 10.084,1023 12.784,1024 0.512,1025 19.768,1026 9.869,1027 3.212,1028 -0.116,1029 18.082,1030 0.122,1031 11.066,1032 14.085,1034 22.039,1035 10.832,1036 2.983,1037 11.231,1038 19.924,1039 -0.299,1040 12.249,1041 15.662,1042 0.387,1043 24.459,1044 11.993,1045 2.643,1046 9.535,1047 21.776,1048 4.616,1049 13.315,1050 17.07,1052 26.801,1053 13.038,1054 2.524,1055 8.487,1056 23.636,1057 4.025,1058 14.468,1059 18.606,1060 0.293,1061 29.205,1062 14.169,1063 2.055,1064 7.839,1065 25.503,1066 3.509,1067 15.575,1068 20.069,1070 31.581,1071 15.253,1072 1.983,1073 5.917,1074 27.375,1075 3.404,1076 16.719,1077 21.591,1078 0.221,1079 33.985,1080 16.374,1081 1.815,1082 5.795,1083 29.253,1084 2.861,1085 17.847,1086 23.082,1088 36.378,1089 17.477,1090 10393,1091 16975,1092 21.383,1093 34.58,1094 47.785,1095 48.133,1096 49.28,1097 47.47,1098 47.502,1099 64.903,1100 3.035,1101 137.904,1102 45.603,1103 5.497,1104 5.317,1105 6.637,1106 5.26,1107 5.212,1108 7.616,1109 1.72,1110 18.468,1111 5.13,1112 14.032,1113 1.493,1114 1.504,1115 1.54,1116 1.483,1117 1.484,1118 2.028,1119 0.095,1120 4.309,1121 1.425,1122 4.081,1123 4.119,1124 4.053,1125 3.984,1126 5.321,1127 3.992,1128 3.99,1129 4.015,1130 3.946,1131 3.921,1132 4.982,1133 3.926,1134 3.768,1135 3.801,1136 3.699,1137 3.683,1138 4.903,1139 3.683,1140 3.542,1141 3.608,1142 3.473,1143 3.359,1144 4.802,1145 3.381,1146 3.246,1147 3.312,1148 3.087,1149 3.015,1150 4.71,1151 3.023,1152 3.212,1153 3.304,1154 3.06,1155 2.978,1156 4.348,1157 2.982,1158 3.134,1159 3.232,1160 3.033,1161 2.873,1162 4.214,1163 2.897,1164 3.023,1165 3.152,1166 2.81,1167 2.757,1168 4.045,1169 2.736,1170 0.145,1171 0.104,1172 0.214,1173 0.131,1174 0.1,1175 4.654,1176 0.144,1177 3.317,1178 0.027,1179 6.835,1180 0.351,1181 4.185,1182 0.098,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.13,1188 2.006,1189 1.98,1190 2.088,1191 2.134,1192 1.236,1193 2.114,1194 1.974,1195 1.949,1196 2.048,1197 2.055,1198 1.18,1199 2.059,1200 1.756,1201 1.727,1202 1.879,1203 1.874,1204 0.953,1205 1.878,1206 1.477,1207 1.416,1208 1.629,1209 1.7,1210 0.733,1211 1.689,1212 1.199,1213 1.13,1214 1.566,1215 1.503,1216 0.573,1217 1.524,1218 1.191,1219 1.101,1220 1.531,1221 1.453,1222 0.559,1223 1.481,1224 1.048,1225 0.962,1226 1.284,1227 1.364,1228 0.247,1229 1.345,1230 0.946,1231 0.845,1232 1.258,1233 1.329,1234 0.225,1235 1.332,1236 4.174,1238 5.501,1240 7.038,1242 8.672,1244 10.356,1246 3.641,1250 11.726,1252 0.549,1253 3.456,1254 5.525,1262 33.058,1263 77.569,1264 190.4,1265 234.274,1266 260.274,1267 265.784,1268 265.784,1269 39.838,1270 7.735,1271 111.97,1272 111.97,1273 24,1274 12.631,1275 4.585,1276 3.644,1277 44.723,1278 119,1279 109,1280 0.184,1281 204.789,1282 341.87,1283 491.445,1284 25582,1286 20.38,1287 0.703,1288 0.562,1289 20.38,1290 16.308,1291 14.063,1292 0.439,1293 0.288,1294 9.083,1295 13.578,1296 8.8,1297 7.363,1298 14.063,1299 9.21,1300 12.565,1301 0.279,1302 0.149,1303 12.565,1304 6.709,1305 10.869,1306 0.178,1307 0.08,1308 10.869,1309 4.91,1310 9.413,1311 0.118,1312 0.042,1313 9.413,1314 3.358,1315 7.249,1316 0.072,1317 0.022,1318 7.249,1319 2.174,1320 0.289,1321 87.795,1322 0.216,1323 27.497,1324 0.502,1325 154,1326 419.628,1327 166.759,1328 416.989,1329 585.4,1330 392,1331 183,1332 446.024,1333 195.704,1334 458.529,1335 668.93,1336 430,1337 6.357}
{0 CHEMBL358003,1 1.496,2 9.25,3 1.392,4 1.938,5 79.62,6 7.834,7 0.773,8 3.652,9 3.797,10 3.255,11 3.172,12 4.863,13 3.176,14 4.09,15 4.264,16 3.59,17 3.529,18 5.301,19 3.505,20 4.295,21 4.503,22 3.588,23 3.602,24 5.39,25 3.556,26 4.32,27 4.572,28 3.423,29 3.495,30 5.44,31 3.412,32 4.205,33 4.465,34 3.213,35 3.388,36 5.202,37 3.291,38 4.079,39 4.335,40 3.071,41 3.277,42 5.111,43 3.164,44 3.972,45 4.254,46 2.956,47 3.139,48 4.887,49 3.033,50 3.696,51 3.928,52 2.903,53 2.96,54 4.808,55 2.893,56 0.058,57 0.577,58 6.479,59 2.353,60 10.64,61 3.216,62 0.173,63 0.856,64 10.803,65 4.232,66 19.364,67 5.795,68 0.121,69 0.973,70 14.355,71 4.788,72 18.263,73 6.989,74 0.307,75 0.921,76 16.287,77 5.091,78 36.429,79 7.507,80 0.177,81 0.793,82 14.8,83 4.563,84 26.188,85 6.864,86 0.213,87 0.698,88 12.91,89 4.255,90 26.528,91 6.225,92 0.139,93 0.599,94 12.393,95 3.917,96 18.903,97 5.962,98 0.095,99 0.502,100 8.311,101 2.777,102 14.713,103 4.086,104 5,105 30,106 0.273,107 0.631,108 0.756,109 0.839,110 0.854,111 0.854,112 3.057,113 0.844,114 -3.64,115 -3.61,116 -3.44,119 41.2,125 1,139 6,140 2,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 6,169 2,170 4,172 3,173 3,175 4,178 5,180 1,182 3,187 4,189 2,191 1,192 1,193 2,195 3,196 4,197 1,198 4,200 2,201 2,204 2,205 1,212 1,215 4,218 1,221 2,224 2,225 1,226 1,228 1,229 5,231 1,234 2,241 3,246 5,250 1,251 2,253 1,254 1,256 2,260 4,265 2,270 2,273 466,274 13.585,275 13.585,276 13.585,277 13.585,278 13.585,279 11.497,280 16.037,281 8.156,282 13.877,283 10.888,284 10.888,285 10.888,286 10.888,287 10.888,288 7.817,289 23.348,290 3.93,291 11.376,292 3.592,293 1.633,294 0.949,295 0.493,296 0.412,297 0.412,298 3.741,300 1,301 1,302 1,303 400,304 2.236,307 160.195,311 82.75,314 1.45,315 14.936,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 43,327 185,328 4.541,329 3.132,330 6.502,331 4.038,332 3.078,333 4.491,334 0.657,335 10.175,336 2.957,337 3.913,338 2.764,339 5.406,340 3.527,341 2.559,342 3.451,344 7.147,345 2.477,346 3.749,347 2.494,348 5.24,349 3.323,350 2.355,351 3.224,353 6.685,354 2.282,355 3.429,356 2.177,357 5.062,358 2.972,359 2.039,360 2.811,362 5.801,363 1.894,364 3.371,365 2.04,366 4.966,367 2.884,368 1.958,369 2.697,371 5.741,372 1.806,373 2.916,374 1.562,375 3.711,376 2.475,377 1.492,378 2.086,380 3.148,381 1.464,382 2.5,383 1.059,384 3.639,385 2,386 1.008,387 1.5,389 2.565,390 1,391 2.454,392 1,393 3.247,394 1.945,395 1,396 1.434,398 2.136,399 0.942,400 1.907,401 0.894,402 3.166,403 1.633,404 0.687,405 0.81,407 1.615,408 0.648,409 1.368,410 0.176,411 2.721,412 0.949,413 0.022,414 0.029,415 0.055,416 0.02,417 0.976,418 -0.286,419 2.549,420 0.486,421 -0.433,422 -0.562,423 -1.125,424 -0.396,425 0.78,426 -0.354,427 2.392,428 0.404,429 -0.556,430 -0.688,431 -1.318,432 -0.532,433 0.562,434 -0.713,435 2.051,436 0.131,437 -0.815,438 -1.084,439 -2.08,440 -0.763,441 0.5,442 -0.788,443 1.562,444 0.054,445 -0.9,446 -1.204,448 -2.347,449 -0.865,450 0.414,451 -1,452 1.555,454 -1,455 -1.5,457 -2.452,458 -1,459 9.4,460 0.47,461 0.452,462 0.023,463 31,464 1.55,465 17.5,466 0.875,467 13.5,468 0.675,469 10.774,470 0.539,471 20.6,472 0.606,473 19.729,474 0.986,475 6.229,476 0.311,477 3.491,478 0.175,479 0.085,481 0.319,485 1.2,486 1.225,487 0.804,488 0.873,489 1.326,490 0.791,491 0.605,492 0.978,493 0.793,494 1.001,495 0.486,496 0.941,497 1.086,498 1.364,499 0.994,500 1.181,501 0.883,502 1.091,503 0.871,504 0.853,505 1.059,506 1.022,507 0.777,508 1.063,509 1.129,510 1.012,511 1.078,512 1.011,513 1.117,514 1.032,515 0.895,516 0.788,517 1.134,518 1.035,519 1.125,520 1.108,521 0.875,522 0.844,523 0.837,524 0.823,525 0.775,526 0.824,527 0.888,528 1.129,529 0.947,530 1.091,531 0.895,532 1.04,533 4,534 0.062,535 1.778,536 1,537 1.249,538 0.354,539 0.182,540 0.248,541 0.123,542 0.086,543 4058,544 11108,545 2.107,546 41.2,548 8,550 1,551 5,555 1.613,556 2,557 3.184,558 2.868,560 1,562 1,564 50.858,565 1.496,566 3.454,567 4.139,568 4.595,569 4.676,570 4.676,571 2.69,572 3.784,573 4.294,574 3.31,575 628.958,576 7.312,577 6456.33,578 1,579 1,582 172.974,583 1.295,584 4.266,585 0.182,586 0.009,587 0.059,588 0.034,589 0.054,590 0.019,591 0.011,592 0.017,593 0.009,594 0.008,595 0.402,596 0.5,597 1,598 0.548,599 89.233,600 -0.248,601 -0.037,603 0.099,604 -0.344,605 0.092,606 0.311,607 0.141,608 0.057,609 -0.015,610 0.266,611 -0.019,612 -0.14,613 -0.33,614 -0.085,615 -0.212,616 -0.085,617 -0.152,618 0.198,619 0.123,620 -0.072,621 -0.082,622 0.204,623 -0.115,624 -0.181,625 -0.08,626 -0.086,627 -0.036,628 -0.131,629 -0.044,630 0.044,631 0.156,632 -0.152,633 -0.055,634 -0.15,635 -0.122,636 -0.02,637 0.018,638 0.195,639 0.19,640 0.02,641 0.222,642 0.036,643 -0.153,644 0.005,645 -0.109,646 0.095,647 -0.066,648 1.53,649 1.842,650 0.8,651 15.1,652 1.004,653 1.137,654 2.407,655 5.794,656 0.679,657 3.135,658 3.434,659 3.664,660 3.912,661 4.143,662 4.094,663 4.143,664 4.22,665 4.317,666 4.234,667 5.405,668 0.654,669 266.34,670 3.135,671 4.654,672 5.485,673 6.347,674 7.195,675 8.062,676 8.918,677 9.788,678 10.649,679 11.521,680 17.6,684 2,685 1,690 3,694 2,695 7,696 3,700 4,702 17,711 2,712 1,718 34,719 17,720 1,721 22,723 36,724 14,725 13,726 1,727 5,729 3,730 4,741 13,742 1,753 1,754 1,757 14,758 6,759 5,760 6,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,810 20,811 2,816 1,817 1,836 10,837 5.85,838 4.389,839 1.782,840 3.277,841 1.489,842 1.035,843 3.354,844 9.977,845 3.45,846 4.094,847 4.694,848 5.301,849 5.895,850 6.082,851 6.417,852 6.776,853 7.181,854 7.162,855 1,856 29,857 7.299,859 3.05,860 7.75,861 13.778,863 10.996,865 2.25,866 45,870 105.94,871 82.468,872 134.162,877 82.468,878 105.94,879 134.162,881 2.106,882 122.652,883 80.138,884 19.278,885 4.227,886 94.169,888 105.94,889 216.63,893 107.655,897 13.052,898 133.495,899 68.367,901 105.94,902 134.162,903 82.468,906 105.94,907 16.563,908 65.905,909 18.011,910 116.151,911 105.94,912 134.162,913 82.468,915 0.576,916 0.327,917 0.179,918 0.1,919 15,920 6,921 0.083,922 3,923 1,924 1.125,925 3.336,926 146.888,927 0.125,928 16,929 82.439,933 12.634,934 5.31,935 2.808,936 1.227,937 134.162,938 13.632,939 12.26,943 2.537,945 83.805,946 322.57,947 30.5,956 34.145,957 38.651,958 0.294,959 0.679,960 0.813,961 0.903,962 0.919,963 0.919,964 4.647,965 1,966 5.451,967 2.565,968 4.111,969 4.779,970 0.623,971 6.213,972 4.025,973 5.862,974 0.687,975 6.974,976 2.136,977 3.611,978 4.559,980 6.986,981 3.481,982 7.164,983 0.022,984 8.595,985 1.615,986 5.652,987 7.043,988 0.317,989 10.075,990 5.486,991 8.503,992 -0.433,993 10.273,994 0.055,995 5.943,996 7.644,998 11.689,999 5.735,1000 9.871,1001 -0.556,1002 11.99,1003 -1.125,1004 7.459,1005 9.595,1006 0.149,1007 14.297,1008 7.219,1009 11.262,1010 -0.815,1011 13.734,1012 -1.318,1013 8.149,1014 10.626,1016 16.298,1017 7.867,1018 12.672,1019 -0.9,1020 15.5,1021 -2.08,1022 9.432,1023 12.332,1024 0.067,1025 18.73,1026 9.118,1027 3.078,1028 -1,1029 17.282,1030 -2.347,1031 10.333,1032 13.597,1034 20.911,1035 9.976,1036 2.559,1037 10.175,1038 19.08,1039 -2.452,1040 11.513,1041 15.188,1042 0.03,1043 23.275,1044 11.122,1045 2.355,1046 7.147,1047 20.889,1048 4.491,1049 12.523,1050 16.574,1052 25.535,1053 12.088,1054 2.039,1055 6.685,1056 22.709,1057 3.451,1058 13.661,1059 18.113,1060 0.013,1061 27.873,1062 13.19,1063 1.958,1064 5.801,1065 24.537,1066 3.224,1067 14.726,1068 19.559,1070 30.166,1071 14.212,1072 1.492,1073 5.741,1074 26.373,1075 2.811,1076 15.849,1077 21.075,1078 0.006,1079 32.494,1080 15.296,1081 1.008,1082 3.148,1083 28.215,1084 2.697,1085 16.942,1086 22.551,1088 34.802,1089 16.346,1090 3910,1091 6585,1092 14.909,1093 23.08,1094 32.605,1095 32.523,1096 32.785,1097 32.409,1098 32.398,1099 45.063,1100 1.315,1101 90.134,1102 30.981,1103 5.36,1104 5.132,1105 6.304,1106 5.113,1107 5.078,1108 7.491,1109 1.315,1110 17.069,1111 4.957,1112 7.675,1113 1.482,1114 1.478,1115 1.49,1116 1.473,1117 1.473,1118 2.048,1119 0.06,1120 4.097,1121 1.408,1122 4.055,1123 4.098,1124 4.029,1125 3.934,1126 5.324,1127 3.951,1128 3.888,1129 3.926,1130 3.82,1131 3.812,1132 4.982,1133 3.809,1134 3.528,1135 3.596,1136 3.455,1137 3.345,1138 4.828,1139 3.366,1140 3.162,1141 3.26,1142 3.043,1143 2.915,1144 4.762,1145 2.935,1146 3.107,1147 3.221,1148 3.002,1149 2.811,1150 4.217,1151 2.848,1152 2.854,1153 2.925,1154 2.687,1155 2.735,1156 4.035,1157 2.715,1158 2.802,1159 2.882,1160 2.684,1161 2.627,1162 3.819,1163 2.633,1164 2.641,1165 2.754,1166 2.451,1167 2.341,1168 3.674,1169 2.355,1170 0.206,1171 0.142,1172 0.296,1173 0.184,1174 0.14,1175 4.541,1176 0.204,1177 3.132,1178 0.03,1179 6.502,1180 0.462,1181 4.038,1182 0.134,1183 3.078,1184 4.491,1185 0.657,1186 10.175,1187 2.957,1188 1.979,1189 1.945,1190 2.052,1191 2.123,1192 1.168,1193 2.1,1194 1.879,1195 1.847,1196 1.99,1197 1.983,1198 1.049,1199 1.991,1200 1.465,1201 1.404,1202 1.623,1203 1.687,1204 0.726,1205 1.677,1206 1.088,1207 1.001,1208 1.329,1209 1.398,1210 0.246,1211 1.389,1212 0.995,1213 0.897,1214 1.259,1215 1.365,1216 0.218,1217 1.346,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.112,1223 1.107,1224 0.778,1225 0.706,1226 1.054,1227 1.009,1229 1.024,1230 0.598,1231 0.479,1232 0.953,1233 0.915,1235 0.934,1236 3.807,1238 5.106,1240 6.608,1242 8.205,1244 9.854,1250 11.385,1252 0.65,1253 3.31,1262 22.236,1263 50.858,1264 117.448,1265 140.709,1266 156.219,1267 158.974,1268 158.974,1269 22.231,1270 6.7,1271 102.74,1272 102.74,1273 18,1274 12.065,1275 4.17,1276 3.248,1277 30.133,1278 65,1279 60,1280 0.231,1281 140.23,1282 225.86,1283 333.92,1284 6718,1286 13.949,1287 0.697,1288 0.537,1289 13.949,1290 10.745,1291 9.72,1292 0.442,1293 0.281,1294 6.102,1295 9.387,1296 5.984,1297 4.993,1298 9.72,1299 6.187,1300 8.738,1301 0.291,1302 0.147,1303 8.738,1304 4.401,1305 7.075,1306 0.186,1307 0.077,1308 7.075,1309 2.925,1310 5.981,1311 0.122,1312 0.04,1313 5.981,1314 1.952,1315 4.853,1316 0.078,1317 0.021,1318 4.853,1319 1.318,1320 0.361,1321 60.624,1322 0.259,1323 20.094,1324 0.63,1325 104,1326 287.893,1327 113.88,1328 290.955,1329 406.14,1330 272,1331 120,1332 310.479,1333 129.492,1334 318.093,1335 460.95,1336 299,1337 5.638}
{0 CHEMBL358297,1 1.574,2 10.6,3 2.553,4 6.517,5 96.914,6 7.777,7 0.75,8 3.891,9 4.021,10 3.498,11 3.403,12 5.07,13 3.41,14 4.38,15 4.554,16 3.879,17 3.795,18 5.523,19 3.787,20 4.528,21 4.691,22 3.942,23 3.944,24 5.613,25 3.915,26 4.686,27 4.887,28 3.892,29 3.98,30 5.789,31 3.902,32 4.758,33 5.027,34 3.676,35 3.887,36 5.716,37 3.781,38 4.555,39 4.811,40 3.548,41 3.759,42 5.493,43 3.646,44 4.428,45 4.676,46 3.431,47 3.626,48 5.376,49 3.525,50 4.288,51 4.544,52 3.356,53 3.452,54 5.298,55 3.368,56 0.058,57 0.701,58 8.308,59 3.301,60 10.991,61 4.337,62 0.276,63 1.078,64 15.538,65 5.79,66 25.207,67 7.64,68 0.16,69 1.257,70 17.129,71 6.535,72 14.911,73 8.792,74 0.28,75 1.393,76 21.438,77 8.277,78 34.001,79 11.448,80 0.435,81 1.343,82 26.867,83 7.937,84 46.827,85 11.895,86 0.293,87 1.116,88 21.265,89 7.461,90 30.989,91 10.799,92 0.226,93 0.978,94 18.617,95 6.242,96 25.326,97 9.039,98 0.184,99 0.851,100 16.306,101 5.329,102 24.667,103 7.887,104 18,105 41,106 0.271,107 0.668,108 0.814,109 0.862,110 0.87,111 0.87,112 3.268,113 0.843,114 -3.79,115 -3.75,116 -3.56,119 41.9,120 1,124 1,125 1,139 4,140 4,141 1,142 1,144 1,146 1,147 1,148 1,149 1,157 2,158 2,159 2,166 6,169 2,170 10,172 3,173 3,175 1,178 6,180 1,182 8,187 1,189 3,191 1,192 2,193 8,195 3,196 3,197 1,198 3,200 2,201 4,204 3,205 1,206 1,212 1,215 5,218 1,220 2,221 3,223 1,224 1,226 2,229 8,231 2,234 3,241 4,246 7,248 1,249 1,251 3,256 3,259 1,260 6,265 2,270 2,273 829,274 16.903,275 16.903,276 16.903,277 16.903,278 16.903,279 14.364,280 19.877,281 9.617,282 17.414,283 13.738,284 13.738,285 13.738,286 13.738,287 13.738,288 9.86,289 27.674,290 4.474,291 14.485,292 3.852,293 1.541,294 0.686,295 0.407,296 0.361,297 0.361,298 3.963,300 1,301 1,302 1,303 581,304 2.646,306 48.518,307 177.982,310 91.002,311 100.457,314 1.504,315 18.896,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 54,327 265,328 4.662,329 3.337,330 6.839,331 4.197,332 3.225,333 4.62,334 0.86,335 11.25,336 3.139,337 4.544,338 3.143,339 6.546,340 4.044,341 3.081,342 4.499,343 0.522,344 10.356,345 2.972,346 3.921,347 2.799,348 5.818,349 3.515,350 2.558,351 3.426,353 7.964,354 2.446,355 3.723,356 2.626,357 5.386,358 3.289,359 2.358,360 3.165,362 6.948,363 2.187,364 3.454,365 2.214,366 5.102,367 2.988,368 2.052,369 2.861,371 5.962,372 1.914,373 3.391,374 2.057,375 5.025,376 2.906,377 1.984,378 2.717,380 5.811,381 1.825,382 3.156,383 1.872,384 4.898,385 2.689,386 1.73,387 2.443,389 5.268,390 1.657,391 2.859,392 1.545,393 4.279,394 2.396,395 1.426,396 2.007,398 3.779,399 1.378,400 2.693,401 1.441,402 4.128,403 2.256,404 1.307,405 1.763,407 3.398,408 1.238,409 2.15,410 1.024,411 3.281,412 1.681,413 0.706,414 1.001,415 1.663,416 0.686,417 1.708,418 0.763,419 3.117,420 1.391,421 0.502,422 0.575,423 0.967,424 0.441,425 1.544,426 0.493,427 2.826,428 1.191,429 0.265,430 0.334,431 0.529,432 0.245,433 1.2,434 0.113,435 2.801,436 0.838,437 -0.109,438 -0.136,439 -0.286,440 -0.103,441 1.03,442 -0.174,443 2.667,444 0.584,445 -0.348,446 -0.46,448 -0.922,449 -0.323,450 0.798,451 -0.305,452 2.428,453 0.4,454 -0.525,455 -0.639,457 -1.244,458 -0.484,459 11.733,460 0.469,461 0.695,462 0.028,463 36.75,464 1.47,465 19.5,466 0.78,467 17.25,468 0.69,469 17.467,470 0.699,471 26.067,472 0.606,473 26.263,474 1.051,475 7.339,476 0.294,477 4.724,478 0.189,479 0.153,481 0.418,485 1.046,486 1.312,487 0.771,488 1.004,489 1.215,490 0.862,491 0.988,492 0.816,493 0.71,494 0.737,495 0.567,496 0.7,497 1.081,498 1.287,499 0.981,500 1.115,501 0.89,502 1.046,503 0.69,504 1.184,505 1.091,506 1.327,507 0.637,508 1.289,509 1.07,510 0.861,511 1.119,512 0.89,513 1.217,514 0.977,515 0.697,516 0.853,517 0.982,518 1,519 0.892,520 1.03,521 0.98,522 1.012,523 1.039,524 1.02,525 0.921,526 1.036,527 0.812,528 1.069,529 0.887,530 1.026,531 0.954,532 0.972,533 5.5,534 0.152,535 3.111,536 2.479,537 1.777,538 0.834,539 0.571,540 0.329,541 0.311,542 0.138,543 7121,544 19408,545 2.105,546 41.9,547 3,548 9,549 1,550 1,551 4,555 1.679,556 1.948,557 3.332,558 1.776,559 1,560 1,562 1,564 67.702,565 1.574,566 3.885,567 4.74,568 5.019,569 5.066,570 5.066,571 2.823,572 4.324,573 4.615,574 3.457,575 1037.12,576 7.976,577 12178.7,579 1,581 1,582 233.329,583 1.473,584 4.565,585 0.196,586 0.012,587 0.076,588 0.058,589 0.047,590 0.028,591 0.021,592 0.014,593 0.014,594 0.008,595 0.473,596 0.33,597 1,598 0.795,599 119.649,600 -0.137,601 -0.13,602 0.038,603 -0.007,604 -0.261,605 0.041,606 0.09,607 0.277,608 0.188,609 0.252,610 0.236,611 0.23,612 -0.178,613 -0.181,614 -0.125,615 -0.117,616 -0.129,617 -0.113,618 0.12,619 -0.144,620 -0.189,621 -0.333,622 0.182,623 -0.325,624 -0.142,625 0.094,626 -0.105,627 0.058,628 -0.207,629 0.003,630 0.057,631 0.084,632 -0.002,633 0.005,634 -0.049,635 -0.008,636 -0.119,637 -0.072,638 -0.056,639 -0.024,640 -0.078,641 -0.029,642 0.04,643 -0.132,644 0.112,645 -0.044,646 0.043,647 0.033,648 1.532,649 2.031,650 0.76,651 19.952,652 1.006,653 1.132,654 2.559,655 6.546,656 0.676,657 3.367,658 3.738,659 4.06,660 4.369,661 4.585,662 4.7,663 4.812,664 4.934,665 5.024,666 5.094,667 5.908,668 0.651,669 334.42,670 3.367,671 4.934,672 5.814,673 6.72,674 7.613,675 8.523,676 9.421,677 10.331,678 11.231,679 12.142,680 14,684 2,688 1,690 3,694 4,695 6,696 3,700 5,701 1,702 21,711 2,716 1,718 43,719 21,720 1,721 28,723 46,724 18,725 15,726 3,727 3,729 4,730 6,734 1,741 15,742 3,753 1,754 1,757 18,758 6,759 4,760 7,764 6,769 0.5,770 1,775 1,776 1,777 1,780 1,781 3,784 1,785 1,802 2,806 2,810 25,811 2,816 1,818 1,829 2.3,834 1,836 12.833,837 8.383,838 5.417,839 2.318,840 4.34,841 1.566,842 1.039,843 3.79,844 12.005,845 3.676,846 4.404,847 5.096,848 5.769,849 6.341,850 6.728,851 7.146,852 7.58,853 7.93,854 8.25,855 1,856 43,857 9.154,859 3.896,860 7.7,861 17.418,863 14.303,865 2.2,866 55,869 1,870 164.795,871 102.661,872 118.05,874 11,877 102.661,878 175.795,879 118.05,880 19.708,881 2.106,882 112.747,883 62.128,884 40.422,885 18.142,886 141.253,888 164.795,889 220.711,890 11,893 166.511,894 11,897 23.777,898 144.862,899 50.357,901 164.795,902 129.05,903 102.661,906 164.795,907 26.953,908 77.607,910 127.151,911 164.795,912 129.05,913 102.661,915 0.593,916 0.361,917 0.202,918 0.106,919 22,920 10,921 0.065,922 3,923 2,924 1.211,925 3.651,926 217.595,927 0.211,928 19,929 114.096,933 15.817,934 5.99,935 2.694,936 3.529,937 127.151,938 11.969,939 12.62,943 3.404,944 2.166,945 65.794,946 396.506,947 38.5,956 43.24,957 48.69,958 0.29,959 0.716,960 0.874,961 0.925,962 0.934,963 0.934,964 4.922,965 1.426,966 5.826,967 5.268,968 4.419,969 5.091,970 1.106,971 6.688,972 4.324,973 6.182,974 1.307,975 7.419,976 3.779,977 4.111,978 5.094,980 7.67,981 3.983,982 7.529,983 0.706,984 9.108,985 3.398,986 6.066,987 7.466,988 0.807,989 10.796,990 5.898,991 8.915,992 0.502,993 10.853,994 1.663,995 6.553,996 8.284,998 12.595,999 6.361,1000 10.33,1001 0.265,1002 12.634,1003 0.967,1004 8.002,1005 10.143,1006 0.615,1007 15.251,1008 7.777,1009 11.768,1010 -0.109,1011 14.441,1012 0.529,1013 8.854,1014 11.343,1016 17.397,1017 8.608,1018 13.223,1019 -0.348,1020 16.267,1021 -0.286,1022 10.112,1023 13,1024 0.476,1025 19.89,1026 9.837,1027 3.225,1028 -0.525,1029 18.108,1030 -0.922,1031 11.131,1032 14.377,1034 22.183,1035 10.834,1036 3.081,1037 11.25,1038 19.962,1039 -1.244,1040 12.318,1041 15.951,1042 0.369,1043 24.615,1044 11.993,1045 2.558,1046 10.356,1047 21.826,1048 4.62,1049 13.411,1050 17.408,1052 26.97,1053 13.062,1054 2.358,1055 7.964,1056 23.698,1057 4.499,1058 14.573,1059 18.949,1060 0.284,1061 29.382,1062 14.197,1063 2.052,1064 6.948,1065 25.576,1066 3.426,1067 15.699,1068 20.441,1070 31.763,1071 15.298,1072 1.984,1073 5.962,1074 27.46,1075 3.165,1076 16.854,1077 21.969,1078 0.217,1079 34.168,1080 16.426,1081 1.73,1082 5.811,1083 29.349,1084 2.861,1085 17.996,1086 23.476,1088 36.562,1089 17.541,1090 6773,1091 11301,1092 18.611,1093 29.057,1094 42.611,1095 42.957,1096 44.409,1097 42.373,1098 42.385,1099 58.823,1100 2.763,1101 127.786,1102 40.256,1103 5.442,1104 5.337,1105 6.387,1106 5.272,1107 5.225,1108 7.62,1109 1.72,1110 18.541,1111 5.139,1112 12.693,1113 1.522,1114 1.534,1115 1.586,1116 1.513,1117 1.514,1118 2.101,1119 0.099,1120 4.564,1121 1.438,1122 4.155,1123 4.19,1124 4.119,1125 4.057,1126 5.322,1127 4.068,1128 4.026,1129 4.063,1130 4.004,1131 3.92,1132 4.984,1133 3.936,1134 3.572,1135 3.626,1136 3.503,1137 3.394,1138 4.973,1139 3.415,1140 3.433,1141 3.486,1142 3.352,1143 3.248,1144 4.8,1145 3.265,1146 3.175,1147 3.27,1148 3.051,1149 2.961,1150 4.594,1151 2.96,1152 3.138,1153 3.223,1154 2.933,1155 2.912,1156 4.183,1157 2.908,1158 3.027,1159 3.153,1160 2.906,1161 2.818,1162 4.041,1163 2.83,1164 3.023,1165 3.102,1166 2.803,1167 2.704,1168 4.009,1169 2.721,1170 0.166,1171 0.119,1172 0.244,1173 0.15,1174 0.115,1175 4.662,1176 0.165,1177 3.337,1178 0.031,1179 6.839,1180 0.402,1181 4.197,1182 0.112,1183 3.225,1184 4.62,1185 0.86,1186 11.25,1187 3.139,1188 2.005,1189 1.975,1190 2.07,1191 2.139,1192 1.255,1193 2.118,1194 1.917,1195 1.898,1196 1.995,1197 2.015,1198 1.132,1199 2.008,1200 1.586,1201 1.529,1202 1.722,1203 1.792,1204 0.854,1205 1.778,1206 1.375,1207 1.315,1208 1.581,1209 1.598,1210 0.583,1211 1.596,1212 1.224,1213 1.163,1214 1.572,1215 1.52,1216 0.561,1217 1.537,1218 1.135,1219 1.049,1220 1.438,1221 1.402,1222 0.515,1223 1.41,1224 0.989,1225 0.909,1226 1.264,1227 1.337,1228 0.224,1229 1.341,1230 0.946,1231 0.826,1232 1.231,1233 1.22,1234 0.09,1235 1.24,1236 4.043,1238 5.398,1239 2.398,1240 6.954,1241 4.727,1242 8.605,1243 6.823,1244 10.308,1246 3.672,1250 11.683,1252 0.675,1254 5.283,1262 28.004,1263 67.702,1264 167.065,1265 203.82,1266 215.82,1267 217.82,1268 217.82,1269 30.518,1270 7.665,1271 104.87,1272 104.87,1273 23,1274 12.659,1275 4.459,1276 3.524,1277 36.002,1278 89,1279 98,1280 0.203,1281 172.274,1282 277.95,1283 412.11,1284 22205,1286 17.552,1287 0.702,1288 0.561,1289 17.552,1290 14.023,1291 12.063,1292 0.431,1293 0.281,1294 7.732,1295 11.544,1296 7.486,1297 6.238,1298 12.063,1299 7.866,1300 11.172,1301 0.272,1302 0.145,1303 11.172,1304 5.942,1305 9.786,1306 0.172,1307 0.078,1308 9.786,1309 4.453,1310 8.654,1311 0.111,1312 0.04,1313 8.654,1314 3.119,1315 6.654,1316 0.069,1317 0.021,1318 6.654,1319 2.024,1320 0.315,1321 75.916,1322 0.232,1323 24.028,1324 0.564,1325 138,1326 386.94,1327 151.453,1328 380.963,1329 536.47,1330 358,1331 167,1332 413.503,1333 180.482,1334 423.037,1335 620.36,1336 396,1337 6.328}
{0 CHEMBL358351,1 1.804,2 10.174,3 3.386,4 11.462,5 94.035,6 10.872,7 0.68,8 3.677,9 3.793,10 3.541,11 3.275,12 4.943,13 3.275,14 4.122,15 4.259,16 3.978,17 3.67,18 5.43,19 3.644,20 4.348,21 4.495,22 4.267,23 3.812,24 5.654,25 3.754,26 4.36,27 4.566,28 4.01,29 3.655,30 5.644,31 3.573,32 4.238,33 4.459,34 3.553,35 3.501,36 5.338,37 3.402,38 4.12,39 4.329,40 3.446,41 3.424,42 5.261,43 3.305,44 4.013,45 4.248,46 3.528,47 3.333,48 5.094,49 3.232,50 3.774,51 3.915,52 3.62,53 3.223,54 5.147,55 3.156,56 0.153,57 0.546,58 2.476,59 2.19,60 15.34,61 2.108,62 0.283,63 0.808,64 5.688,65 4.017,66 23.679,67 4.522,68 0.458,69 0.915,70 18.22,71 5.464,72 34.613,73 5.5,74 0.558,75 0.89,76 19.126,77 5.88,78 48.783,79 6.68,80 0.437,81 0.768,82 17.36,83 5.462,84 43.856,85 6.175,86 0.409,87 0.671,88 15.751,89 4.888,90 37.254,91 5.45,92 0.345,93 0.566,94 16.295,95 4.874,96 31.823,97 5.865,98 0.299,99 0.444,100 11.495,101 3.311,102 25.832,103 3.453,104 26,105 36,106 0.33,107 0.7,108 0.803,109 0.854,110 0.854,111 0.854,112 3.188,113 0.916,114 -4.65,115 -4.57,116 -4.3,119 41.2,125 1,139 3,140 2,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 2,169 2,170 4,172 3,173 3,175 4,178 4,180 1,182 3,187 2,189 4,191 1,192 1,193 2,195 3,196 4,197 1,198 5,200 2,201 5,204 2,205 1,212 2,215 2,218 1,221 2,224 2,225 1,226 1,228 1,229 4,231 1,241 3,246 6,250 1,251 2,253 1,254 3,256 2,260 1,268 1,273 668,274 15.033,275 15.033,276 15.033,277 15.033,278 15.033,279 12.814,280 18.77,281 8.6,282 15.656,283 12.296,284 12.296,285 12.296,286 12.296,287 12.296,288 8.997,289 27.107,290 4.095,291 13.535,292 3.283,293 1.254,294 0.691,295 0.412,296 0.412,297 0.412,298 3.865,299 3,300 1,301 1,302 1,303 498,304 2.55,307 194.067,311 101.508,314 1.486,315 25.763,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 50,327 234,328 4.541,329 3.499,330 6.502,331 4.038,332 3.079,333 4.491,334 0.657,335 10.175,336 2.957,337 4.363,338 3.131,339 6.31,340 3.867,341 2.983,342 4.057,344 9.3,345 2.603,346 3.782,347 2.72,348 5.369,349 3.398,350 2.444,351 3.238,353 6.998,354 2.321,355 3.528,356 2.623,357 5.199,358 3.11,359 2.192,360 2.849,362 6.457,363 1.934,364 3.427,365 2.41,366 5.062,367 2.96,368 2.028,369 2.811,371 5.8,372 1.87,373 3.352,374 2.171,375 4.964,376 2.873,377 1.944,378 2.674,380 5.734,381 1.794,382 3.232,383 2.037,384 4.879,385 2.707,386 1.879,387 2.481,389 5.225,390 1.441,391 2.454,392 1.767,393 3.71,394 1.945,395 1.01,396 1.435,398 2.565,399 0.942,400 1.99,401 1.06,402 3.408,403 1.705,404 0.803,405 0.919,407 1.945,408 0.703,409 1.576,410 0.947,411 2.936,412 1.104,413 0.385,414 0.432,415 0.881,416 0.22,417 1.291,418 0.196,419 2.684,420 0.846,421 -0.014,422 -0.018,423 -0.036,424 -0.012,425 1,426 0.173,427 2.653,428 0.473,429 -0.347,430 -0.445,431 -0.898,432 -0.229,433 0.969,434 -0.205,435 2.523,436 0.471,437 -0.441,438 -0.57,439 -1.146,440 -0.399,441 0.618,442 -0.3,443 2.322,444 0.229,445 -0.672,446 -0.783,448 -1.785,449 -0.534,450 0.47,451 -0.485,452 2,453 0.124,454 -0.815,455 -1.095,457 -2.253,458 -0.702,459 11.543,460 0.502,461 0.736,462 0.032,463 33.25,464 1.446,465 17.5,466 0.761,467 15.75,468 0.685,469 16.775,470 0.729,471 23.857,472 0.702,473 22.253,474 0.968,475 6.477,476 0.282,477 4.458,478 0.194,479 0.255,481 0.39,485 0.91,486 1.205,487 0.505,488 0.601,489 1.044,490 0.612,491 0.65,492 0.934,493 0.553,494 0.673,495 0.515,496 0.713,497 0.984,498 1.351,499 0.766,500 0.968,501 0.867,502 0.998,503 0.686,504 0.867,505 0.726,506 0.949,507 0.687,508 1.052,509 0.972,510 1.037,511 0.908,512 1.064,513 1.053,514 1.151,515 1.055,516 0.786,517 1.125,518 1.12,519 1.23,520 1.263,521 0.944,522 0.808,523 0.793,524 0.684,525 0.822,526 0.732,527 1.197,528 1.127,529 1.367,530 1.229,531 1.155,532 1.095,533 6,534 0.14,535 2.889,536 1.813,537 1.822,538 0.41,539 0.384,540 0.373,541 0.188,542 0.258,543 5737,544 23793,545 2.016,546 32.4,548 5,550 1,551 5,555 1.653,556 1.84,557 3.298,558 2.803,560 1,564 61.352,565 1.804,566 3.834,567 4.396,568 4.676,569 4.676,570 4.676,571 2.736,572 4.263,573 4.5,574 3.447,575 872.067,576 7.72,577 10036.6,578 1,579 1,580 1,581 1,582 172.974,583 1.538,584 4.428,585 0.24,586 0.009,587 0.08,588 0.049,589 0.063,590 0.019,591 0.02,592 0.019,593 0.009,594 0.015,595 0.524,596 0.17,597 1,598 0.675,599 108.363,600 -0.237,601 -0.017,602 -0.028,603 0.134,604 -0.316,605 0.11,606 0.09,607 0.184,608 0.06,609 0.141,610 0.163,611 0.1,612 -0.07,613 -0.323,614 0.108,615 -0.066,616 -0.037,617 -0.122,618 0.215,619 0.125,620 0.106,621 -0.009,622 0.205,623 -0.071,624 -0.142,625 -0.09,626 -0.102,627 -0.097,628 -0.167,629 -0.109,630 -0.168,631 0.166,632 -0.242,633 -0.144,634 -0.319,635 -0.244,636 -0.064,637 0.066,638 0.157,639 0.377,640 0.034,641 0.414,642 -0.087,643 -0.17,644 -0.192,645 -0.233,646 -0.05,647 -0.169,648 1.571,649 1.89,650 0.696,651 17.784,652 1.033,653 1.132,654 3.424,655 11.722,656 0.755,657 3.258,658 3.611,659 3.85,660 4.078,661 4.29,662 4.29,663 4.29,664 4.357,665 4.489,666 4.511,667 5.981,668 0.727,669 369.66,670 3.258,671 4.812,672 5.659,673 6.541,674 7.402,675 8.283,676 9.149,677 10.029,678 10.897,679 11.777,680 17.6,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,717 3,718 34,719 17,720 1,721 25,723 36,724 14,725 13,726 4,727 2,729 3,730 4,731 3,741 13,742 1,753 1,754 1,757 11,758 6,759 5,760 9,761 3,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,807 3,810 23,811 2,816 1,817 1,828 3,836 12.5,837 6.029,838 4.944,839 1.736,840 3.339,841 1.476,842 1.021,843 4.636,844 10.347,845 3.541,846 4.234,847 4.834,848 5.427,849 6.004,850 6.235,851 6.488,852 6.832,853 7.258,854 7.335,855 0.857,856 37,857 8.375,859 3.569,860 7.949,861 15.46,863 12.438,865 2.449,866 56.333,870 70.627,871 64.541,872 134.162,873 117.446,877 64.541,878 188.073,879 134.162,881 2.106,882 94.223,883 80.138,884 29.78,885 4.227,886 58.856,887 117.446,888 70.627,889 198.703,891 117.446,893 72.342,897 13.052,898 115.568,899 185.813,901 70.627,902 134.162,903 181.987,906 70.627,907 27.065,908 37.476,909 18.011,910 233.597,911 70.627,912 134.162,913 181.987,915 0.597,916 0.348,917 0.178,918 0.095,919 18,920 9,921 0.083,922 3,923 1,924 1.125,925 3.485,926 180.692,927 0.125,928 16,929 98.042,933 16.33,934 6.529,935 3.53,936 1.099,937 134.162,938 6.925,939 12.203,943 3.107,945 83.805,946 386.776,947 33.5,956 35.116,957 38.483,958 0.355,959 0.754,960 0.864,961 0.919,962 0.919,963 0.919,964 4.781,965 1.01,966 5.673,967 5.225,968 4.29,969 4.92,970 0.623,971 6.485,972 4.107,973 6.034,974 0.803,975 7.244,976 2.565,977 4.007,978 4.913,980 7.353,981 3.681,982 7.368,983 0.385,984 8.906,985 1.945,986 5.9,987 7.229,988 0.317,989 10.429,990 5.582,991 8.735,992 -0.014,993 10.618,994 0.881,995 6.347,996 7.966,998 12.057,999 5.89,1000 10.127,1001 -0.347,1002 12.362,1003 -0.036,1004 7.769,1005 9.812,1006 0.149,1007 14.674,1008 7.32,1009 11.537,1010 -0.441,1011 14.127,1012 -0.898,1013 8.561,1014 10.918,1016 16.655,1017 7.996,1018 12.963,1019 -0.672,1020 15.91,1021 -1.146,1022 9.795,1023 12.565,1024 0.067,1025 19.092,1026 9.22,1027 3.079,1028 -0.815,1029 17.706,1030 -1.785,1031 10.756,1032 13.861,1034 21.242,1035 10.088,1036 2.983,1037 10.175,1038 19.513,1039 -2.253,1040 11.914,1041 15.417,1042 0.03,1043 23.602,1044 11.22,1045 2.444,1046 9.3,1047 21.329,1048 4.491,1049 12.955,1050 16.81,1052 25.833,1053 12.188,1054 2.192,1055 6.998,1056 23.153,1057 4.057,1058 14.083,1059 18.326,1060 0.013,1061 28.16,1062 13.28,1063 2.028,1064 6.457,1065 24.983,1066 3.238,1067 15.161,1068 19.767,1070 30.428,1071 14.299,1072 1.944,1073 5.8,1074 26.82,1075 2.849,1076 16.278,1077 21.265,1078 0.006,1079 32.742,1080 15.376,1081 1.879,1082 5.734,1083 28.66,1084 2.811,1085 17.374,1086 22.73,1088 35.029,1089 16.422,1090 5614,1091 11578,1092 16.126,1093 25.654,1094 37.691,1095 39.161,1096 39.081,1097 37.653,1098 37.492,1099 50.773,1100 1.315,1101 110.16,1102 33.571,1103 5.367,1104 5.499,1105 5.851,1106 5.113,1107 5.079,1108 7.491,1109 1.315,1110 17.069,1111 4.957,1112 13.576,1113 1.508,1114 1.566,1115 1.563,1116 1.506,1117 1.5,1118 2.031,1119 0.053,1120 4.406,1121 1.343,1122 4.056,1123 4.098,1124 4.193,1125 3.94,1126 5.324,1127 3.954,1128 3.907,1129 3.923,1130 4.02,1131 3.857,1132 5.105,1133 3.85,1134 3.531,1135 3.595,1136 3.582,1137 3.35,1138 4.982,1139 3.371,1140 3.174,1141 3.258,1142 3.507,1143 2.959,1144 4.813,1145 2.972,1146 3.108,1147 3.221,1148 3.349,1149 2.849,1150 4.632,1151 2.849,1152 2.901,1153 2.918,1154 3.173,1155 2.813,1156 4.451,1157 2.815,1158 2.824,1159 2.878,1160 3.003,1161 2.671,1162 4.299,1163 2.674,1164 2.641,1165 2.754,1166 2.833,1167 2.342,1168 4.128,1169 2.355,1170 0.182,1171 0.14,1172 0.26,1173 0.162,1174 0.123,1175 4.541,1176 0.18,1177 3.499,1178 0.026,1179 6.502,1180 0.407,1181 4.038,1182 0.118,1183 3.079,1184 4.491,1185 0.657,1186 10.175,1187 2.957,1188 1.978,1189 1.945,1190 2.038,1191 2.122,1192 1.168,1193 2.098,1194 1.862,1195 1.85,1196 1.885,1197 1.94,1198 1.041,1199 1.943,1200 1.462,1201 1.404,1202 1.601,1203 1.674,1204 0.72,1205 1.665,1206 1.078,1207 1.003,1208 1.306,1209 1.389,1210 0.212,1211 1.377,1212 0.994,1213 0.897,1214 1.25,1215 1.352,1216 0.105,1217 1.336,1218 0.849,1219 0.827,1220 1,1221 0.963,1223 1.004,1224 0.755,1225 0.709,1226 0.956,1227 0.962,1229 0.966,1230 0.598,1231 0.479,1232 0.877,1233 0.913,1235 0.93,1236 3.932,1238 5.273,1240 6.806,1242 8.431,1244 10.104,1247 17.925,1250 11.396,1252 0.487,1253 3.192,1262 24.718,1263 61.352,1264 130.345,1265 149.464,1266 158.974,1267 158.974,1268 158.974,1269 36.31,1270 7.009,1271 102.74,1272 102.74,1273 18,1274 12.315,1275 4.17,1276 3.248,1277 37.065,1278 84,1279 70,1280 0.22,1281 165.228,1282 271.49,1283 394.917,1284 9883,1285 8.8,1286 16.56,1287 0.72,1288 0.605,1289 18.06,1290 13.915,1291 10.936,1292 0.437,1293 0.305,1294 6.503,1295 9.774,1296 6.279,1297 5.165,1298 11.802,1299 7.632,1300 10.385,1301 0.288,1302 0.166,1303 11.46,1304 5.982,1305 8.555,1306 0.186,1307 0.094,1308 10.053,1309 4.332,1310 6.878,1311 0.119,1312 0.046,1313 7.724,1314 2.65,1315 5.352,1316 0.074,1317 0.023,1318 5.837,1319 1.674,1320 0.347,1321 77.442,1322 0.249,1323 22.649,1324 0.593,1325 122,1326 390.503,1327 178.438,1328 477.36,1329 621.61,1330 440,1331 143,1332 393.067,1333 197.193,1334 430.308,1335 630.45,1336 403,1337 5.337}
{0 CHEMBL359454,1 1.558,2 10,3 2.29,4 5.245,5 98.669,6 7.476,7 0.607,8 3.929,9 4.063,10 3.504,11 3.428,12 5.061,13 3.427,14 4.449,15 4.636,16 3.886,17 3.832,18 5.528,19 3.812,20 4.616,21 4.796,22 3.975,23 3.994,24 5.633,25 3.955,26 4.77,27 4.97,28 3.954,29 4.043,30 5.835,31 3.963,32 4.875,33 5.144,34 3.697,35 3.99,36 5.773,37 3.863,38 4.729,39 5.008,40 3.546,41 3.85,42 5.575,43 3.707,44 4.552,45 4.827,46 3.474,47 3.7,48 5.4,49 3.577,50 4.422,51 4.687,52 3.453,53 3.533,54 5.409,55 3.45,56 0.048,57 0.728,58 9.355,59 3.552,60 10.786,61 4.921,62 0.281,63 1.133,64 17.697,65 6.303,66 26.05,67 8.708,68 0.145,69 1.339,70 20.258,71 7.302,72 14.404,73 10.408,74 0.349,75 1.469,76 24.641,77 9.065,78 37.402,79 12.759,80 0.412,81 1.464,82 30.426,83 8.987,84 47.456,85 13.807,86 0.366,87 1.237,88 26.616,89 8.734,90 36.431,91 13.099,92 0.193,93 1.045,94 22.015,95 7.387,96 25.528,97 11.215,98 0.274,99 0.923,100 19.376,101 5.791,102 30.22,103 8.87,104 18,105 41,106 0.268,107 0.656,108 0.836,109 0.869,110 0.869,111 0.869,112 3.268,113 0.874,114 -4.13,115 -4.08,116 -3.86,119 40,120 1,121 1,124 1,125 2,139 3,140 4,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 6,169 2,170 10,172 3,173 3,175 1,178 6,180 1,182 7,187 1,189 3,191 1,192 3,193 9,195 3,196 3,197 1,198 3,200 2,201 4,204 3,205 1,212 1,215 4,218 1,220 2,221 4,223 1,224 1,226 2,229 8,231 2,234 2,241 3,245 1,246 9,248 1,249 1,251 3,254 2,256 3,260 2,265 1,270 1,273 811,274 16.955,275 16.955,276 16.955,277 16.955,278 16.955,279 14.819,280 21.793,281 9.659,282 17.459,283 13.732,284 13.732,285 13.732,286 13.732,287 13.732,288 10.454,289 29.438,290 4.45,291 14.469,292 3.933,293 1.673,294 0.628,295 0.434,296 0.434,297 0.434,298 3.963,300 1,301 1,302 1,303 548,304 2.646,306 46.963,307 176.124,310 90.122,311 98.676,314 1.36,315 19.782,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54,327 250,328 4.657,329 3.442,330 6.84,331 4.202,332 3.231,333 4.616,334 0.916,335 11.26,336 3.142,337 4.45,338 3.288,339 6.708,340 4.105,341 3.14,342 4.072,343 0.86,344 10.883,345 3.03,346 3.919,347 2.853,348 5.874,349 3.531,350 2.577,351 3.416,352 0.172,353 8.156,354 2.457,355 3.574,356 2.6,357 5.635,358 3.248,359 2.322,360 2.863,362 7.292,363 2.144,364 3.451,365 2.19,366 5.097,367 2.966,368 2.034,369 2.824,371 5.904,372 1.893,373 3.358,374 2.051,375 5.01,376 2.892,377 1.965,378 2.662,380 5.791,381 1.814,382 2.941,383 1.847,384 4.563,385 2.547,386 1.553,387 2.115,389 4.227,390 1.544,391 2.724,392 1.676,393 4.202,394 2.392,395 1.444,396 1.792,398 3.704,399 1.363,400 2.589,401 1.524,402 4.108,403 2.224,404 1.279,405 1.608,407 3.394,408 1.204,409 2.068,410 1.153,411 3.363,412 1.891,413 0.932,414 1.033,415 2.065,416 0.888,417 1.663,418 0.813,419 3.16,420 1.378,421 0.467,422 0.531,423 1.002,424 0.422,425 1.484,426 0.596,427 2.824,428 1.175,429 0.252,430 0.3,431 0.473,432 0.232,433 1.198,434 0.115,435 2.741,436 0.838,437 -0.109,438 -0.135,439 -0.286,440 -0.103,441 0.998,442 -0.115,443 2.633,444 0.582,445 -0.351,446 -0.441,448 -0.935,449 -0.325,450 0.745,451 -0.293,452 2.428,453 0.404,454 -0.523,455 -0.622,457 -1.204,458 -0.482,459 11.733,460 0.469,461 0.678,462 0.027,463 35.25,464 1.41,465 18,466 0.72,467 17.25,468 0.69,469 19.251,470 0.77,471 26.667,472 0.593,473 24.768,474 0.991,475 6.918,476 0.277,477 5.161,478 0.206,479 0.153,481 0.418,485 1.034,486 1.36,487 0.803,488 1.058,489 1.173,490 0.913,491 0.984,492 0.841,493 0.743,494 0.772,495 0.559,496 0.738,497 1.018,498 1.288,499 0.945,500 1.128,501 0.814,502 1.039,503 0.823,504 1.193,505 1.104,506 1.322,507 0.676,508 1.281,509 1.164,510 0.945,511 1.193,512 0.99,513 1.213,514 1.071,515 0.791,516 0.798,517 1.013,518 0.959,519 0.867,520 1.011,521 0.677,522 0.979,523 0.845,524 0.988,525 0.761,526 0.946,527 0.951,528 0.974,529 0.868,530 0.912,531 1.038,532 0.881,533 5,534 0.119,535 3.333,536 2.507,537 1.822,538 0.778,539 0.517,540 0.336,541 0.282,542 0.182,543 6961,544 18079,545 2.105,546 44.4,547 3,548 10,550 1,551 4,553 2,555 1.68,556 1.948,557 3.272,558 1.776,559 1,560 1,564 70.126,565 1.558,566 3.819,567 4.864,568 5.058,569 5.058,570 5.058,571 2.71,572 4.484,573 4.618,574 3.394,575 1018.16,576 7.986,577 11923.2,579 1,581 1,582 247.133,583 1.473,584 4.565,585 0.179,586 0.009,587 0.081,588 0.057,589 0.046,590 0.026,591 0.02,592 0.013,593 0.012,594 0.01,595 0.453,596 0.33,597 1,598 0.795,599 119.131,600 -0.12,601 -0.139,602 0.045,603 -0.013,604 -0.197,605 0.038,606 0.093,607 0.268,608 0.182,609 0.239,610 0.24,611 0.219,612 -0.123,613 -0.172,614 -0.053,615 -0.1,616 -0.062,617 -0.069,618 0.145,619 -0.137,620 -0.183,621 -0.308,622 0.184,623 -0.309,624 -0.229,625 0.013,626 -0.202,627 -0.037,628 -0.244,629 -0.1,630 0.015,631 0.113,632 -0.022,633 0.031,634 -0.046,635 0.002,636 0.039,637 -0.079,638 0.137,639 0.025,640 0.034,641 0.088,642 0.083,643 -0.042,644 0.143,645 0.046,646 0.043,647 0.097,648 1.523,649 2.048,650 0.76,651 18.768,652 1.003,653 1.136,654 2.902,655 8.423,656 0.663,657 3.367,658 3.738,659 4.078,660 4.394,661 4.595,662 4.691,663 4.804,664 4.942,665 5.03,666 5.112,667 5.739,668 0.634,669 336.44,670 3.367,671 4.934,672 5.82,673 6.73,674 7.628,675 8.541,676 9.443,677 10.356,678 11.26,679 12.174,680 13.3,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,716 1,718 45,719 17,720 1,721 28,723 48,724 18,725 13,726 3,727 3,729 4,730 6,734 1,736 1,739 1,741 13,742 5,753 1,754 1,757 20,758 7,759 4,760 7,764 6,769 0.5,770 1,775 1,776 1,780 1,781 3,784 1,785 1,802 2,806 2,810 25,811 2,816 3,818 1,821 1,829 2.2,834 1,836 12.833,837 8.717,838 5.444,839 2.539,840 3.498,841 1.456,842 1.026,843 3.942,844 11.162,845 3.624,846 4.304,847 4.959,848 5.585,849 6.138,850 6.434,851 6.778,852 7.157,853 7.524,854 7.715,855 0.857,856 44,857 9.184,859 3.914,860 7.66,861 17.637,863 14.636,865 2.16,866 54,870 188.338,871 90.003,872 119.275,874 11,877 90.003,878 199.338,879 119.275,880 19.708,881 6.746,882 94.223,883 62.128,884 45.017,885 4.227,886 176.567,888 188.338,889 209.278,890 11,893 166.511,894 34.542,897 26.518,898 130.688,899 50.357,901 188.338,902 130.275,903 90.003,906 188.338,907 32.818,908 60.309,910 127.151,911 188.338,912 130.275,913 90.003,915 0.591,916 0.367,917 0.211,918 0.108,919 22,920 10,921 0.063,922 3,923 2,924 1.211,925 3.62,926 219.304,927 0.211,928 19,929 116.096,933 16.062,934 6.136,935 2.676,936 1.312,937 130.275,938 8.012,939 12.676,943 6.069,945 65.794,946 408.615,947 36.5,956 45.123,957 51.106,958 0.284,959 0.695,960 0.886,961 0.921,962 0.921,963 0.921,964 4.885,965 1.444,966 5.832,967 4.227,968 4.419,969 4.99,970 1.382,971 6.708,972 4.324,973 6.123,974 1.279,975 7.433,976 3.704,977 4.111,978 4.956,979 0.325,980 7.727,981 3.983,982 7.463,983 0.932,984 9.134,985 3.394,986 6.075,987 7.296,988 1.115,989 10.866,990 5.906,991 8.84,992 0.467,993 10.892,994 2.065,995 6.581,996 8.075,997 0.393,998 12.706,999 6.388,1000 10.25,1001 0.252,1002 12.687,1003 1.002,1004 8.034,1005 9.918,1006 0.921,1007 15.371,1008 7.807,1009 11.682,1010 -0.109,1011 14.508,1012 0.473,1013 8.906,1014 11.078,1015 0.384,1016 17.545,1017 8.658,1018 13.132,1019 -0.351,1020 16.348,1021 -0.286,1022 10.169,1023 12.724,1024 0.764,1025 20.047,1026 9.89,1027 3.231,1028 -0.523,1029 18.202,1030 -0.935,1031 11.204,1032 14.068,1033 0.351,1034 22.358,1035 10.902,1036 3.14,1037 11.26,1038 20.067,1039 -1.204,1040 12.397,1041 15.633,1042 0.634,1043 24.801,1044 12.066,1045 2.577,1046 10.883,1047 21.942,1048 4.616,1049 13.502,1050 17.066,1051 0.312,1052 27.168,1053 13.145,1054 2.322,1055 8.156,1056 23.823,1057 4.072,1058 14.67,1059 18.598,1060 0.525,1061 29.589,1062 14.285,1063 2.034,1064 7.292,1065 25.711,1066 3.416,1067 15.806,1068 20.074,1069 0.273,1070 31.979,1071 15.393,1072 1.965,1073 5.904,1074 27.603,1075 2.863,1076 16.967,1077 21.595,1078 0.433,1079 34.392,1080 16.526,1081 1.553,1082 5.791,1083 29.499,1084 2.824,1085 18.116,1086 23.093,1087 0.236,1088 36.793,1089 17.647,1090 6626,1091 10800,1092 18.611,1093 29.819,1094 42.47,1095 43.13,1096 44.692,1097 42.387,1098 42.394,1099 55.667,1100 3.898,1101 128.302,1102 40.267,1103 5.562,1104 5.442,1105 6.429,1106 5.277,1107 5.231,1108 7.616,1109 1.776,1110 18.578,1111 5.142,1112 12.591,1113 1.517,1114 1.54,1115 1.596,1116 1.514,1117 1.514,1118 1.988,1119 0.139,1120 4.582,1121 1.438,1122 4.09,1123 4.129,1124 4.06,1125 3.982,1126 5.321,1127 3.995,1128 3.978,1129 4.011,1130 3.935,1131 3.884,1132 4.982,1133 3.893,1134 3.558,1135 3.62,1136 3.487,1137 3.38,1138 4.868,1139 3.399,1140 3.401,1141 3.469,1142 3.277,1143 3.233,1144 4.798,1145 3.231,1146 3.24,1147 3.306,1148 3.063,1149 2.989,1150 4.418,1151 2.996,1152 3.172,1153 3.269,1154 3.05,1155 2.946,1156 4.197,1157 2.951,1158 3.024,1159 3.153,1160 2.863,1161 2.772,1162 4.051,1163 2.785,1164 3.013,1165 3.11,1166 2.789,1167 2.702,1168 3.994,1169 2.718,1170 0.166,1171 0.123,1172 0.244,1173 0.15,1174 0.115,1175 4.657,1176 0.165,1177 3.442,1178 0.033,1179 6.84,1180 0.402,1181 4.202,1182 0.112,1183 3.231,1184 4.616,1185 0.916,1186 11.26,1187 3.142,1188 1.997,1189 1.966,1190 2.059,1191 2.132,1192 1.242,1193 2.11,1194 1.876,1195 1.857,1196 1.973,1197 1.97,1198 1.176,1199 1.97,1200 1.555,1201 1.489,1202 1.76,1203 1.778,1204 1.004,1205 1.776,1206 1.39,1207 1.322,1208 1.598,1209 1.615,1210 0.686,1211 1.621,1212 1.19,1213 1.113,1214 1.57,1215 1.506,1216 0.572,1217 1.528,1218 1.159,1219 1.073,1220 1.49,1221 1.413,1222 0.558,1223 1.435,1224 1.022,1225 0.945,1226 1.268,1227 1.34,1228 0.294,1229 1.341,1230 0.946,1231 0.826,1232 1.25,1233 1.281,1234 0.121,1235 1.287,1236 4.043,1238 5.398,1239 2.398,1240 6.959,1241 4.727,1242 8.62,1243 6.843,1244 10.331,1246 3.738,1250 11.711,1252 2.668,1254 5.48,1257 2.335,1262 28.531,1263 70.126,1264 171.849,1265 218.869,1266 227.624,1267 227.624,1268 227.624,1269 31.78,1270 7.665,1271 103.18,1272 103.18,1273 23,1274 12.688,1275 4.17,1276 3.248,1277 35.941,1278 87,1279 83,1280 0.208,1281 175.202,1282 291.49,1283 419.252,1284 22201,1286 17.552,1287 0.702,1288 0.571,1289 17.552,1290 14.283,1291 12.08,1292 0.431,1293 0.291,1294 8.026,1295 11.565,1296 7.777,1297 6.452,1298 12.08,1299 8.162,1300 11.088,1301 0.27,1302 0.151,1303 11.088,1304 6.204,1305 9.814,1306 0.169,1307 0.083,1308 9.814,1309 4.796,1310 8.86,1311 0.111,1312 0.044,1313 8.86,1314 3.522,1315 6.742,1316 0.069,1317 0.023,1318 6.742,1319 2.297,1320 0.32,1321 76.017,1322 0.232,1323 23.897,1324 0.584,1325 138,1326 376.94,1327 151.453,1328 369.639,1329 520.79,1330 348,1331 168,1332 400.151,1333 181.814,1334 408.579,1335 601.96,1336 383,1337 6.824}
{0 CHEMBL36,1 1.603,2 6.941,3 2.751,4 7.565,5 71.542,6 8.291,7 0.667,8 3.499,9 3.638,10 3.14,11 3.062,12 4.695,13 3.035,14 3.947,15 4.124,16 3.516,17 3.422,18 5.139,19 3.365,20 4.149,21 4.352,22 3.565,23 3.532,24 5.253,25 3.465,26 4.132,27 4.315,28 3.484,29 3.504,30 5.312,31 3.427,32 4.257,33 4.489,34 3.326,35 3.469,36 5.388,37 3.369,38 4.29,39 4.592,40 3.07,41 3.331,42 5.232,43 3.144,44 3.974,45 4.304,46 3.021,47 2.94,48 4.93,49 2.71,50 3.3,51 3.592,52 2.294,53 2.359,54 4.251,55 2.083,56 0.048,57 0.46,58 5.483,59 2.293,60 9.798,61 3.094,62 0.132,63 0.676,64 10.107,65 4.277,66 17.925,67 5.795,68 0.159,69 0.772,70 15.4,71 4.782,72 20.44,73 6.553,74 0.137,75 0.793,76 13.469,77 4.81,78 22.216,79 6.571,80 0.203,81 0.861,82 14.316,83 4.472,84 33.65,85 6.462,86 0.241,87 0.739,88 19.179,89 5.623,90 37.954,91 8.248,92 0.253,93 0.431,94 17.93,95 4.756,96 33.682,97 7.045,98 0.131,99 0.178,100 12.599,101 2.704,102 18.094,103 3.562,104 18,105 25,106 0.308,107 0.676,108 0.771,109 0.822,110 0.822,111 0.822,112 2.909,113 0.945,114 -4.28,115 -4.22,116 -3.98,119 40,120 1,121 1,139 4,140 2,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 3,172 3,173 3,175 1,178 9,180 1,182 3,187 1,189 8,191 1,193 5,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,207 5,212 5,215 5,218 5,226 2,229 2,231 2,234 2,239 3,241 1,243 3,254 1,265 1,270 1,273 316,274 11.232,275 11.232,276 11.232,277 11.232,278 11.232,279 9.689,280 11.564,281 6.533,282 11.546,283 8.799,284 8.799,285 8.799,286 8.799,287 8.799,288 6.5,289 13.446,290 3.003,291 9.377,292 3.304,293 1.387,294 0.892,295 0.625,296 0.625,297 0.625,298 3.556,299 1,300 1,301 1,302 1,303 241,304 2,307 105.02,314 0.9,315 14.857,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 36.333,327 118,328 4.515,329 3.239,330 6.762,331 4.129,332 3.154,333 4.229,335 11.037,336 3.079,337 3.921,338 2.906,339 5.395,340 3.436,341 2.504,342 3.513,344 6.945,345 2.325,346 3.546,347 2.385,348 5.04,349 3.084,350 2.186,351 2.906,353 5.987,354 1.928,355 3.299,356 2.226,357 5.019,358 2.929,359 1.983,360 2.548,362 5.694,363 1.864,364 3.086,365 1.905,366 4.694,367 2.645,368 1.717,369 2.297,371 4.828,372 1.544,373 2.5,374 1,375 3.414,376 2,377 1,378 1.5,380 2.275,381 1,382 1.742,383 0.775,384 3.291,385 1.544,386 0.572,387 0.645,389 1.095,390 0.547,391 1.353,392 0.381,393 2.734,394 1.025,395 0.108,396 0.128,398 0.209,399 0.093,400 0.949,401 -0.016,402 2.355,403 0.47,404 -0.388,405 -0.491,407 -0.921,408 -0.277,409 0.822,410 -0.305,411 2.181,412 0.428,413 -0.481,414 -0.589,415 -1.153,416 -0.437,417 0.5,418 -0.673,419 2,420 0.017,421 -0.909,422 -1.018,423 -2.012,424 -0.813,425 0.233,426 -1,427 1.6,429 -1,430 -1.5,431 -3,432 -1,433 -0.066,434 -1.022,435 1.448,436 -0.537,437 -1.317,438 -1.617,439 -3.147,440 -1.065,441 -0.229,442 -1.391,443 1.145,444 -0.632,445 -1.519,446 -2.003,448 -4.048,449 -1.382,450 -0.5,451 -1.494,452 1,453 -0.745,454 -1.715,455 -2.133,457 -4.939,458 -1.653,459 8.314,460 0.489,461 0.473,462 0.028,463 23.75,464 1.397,465 13,466 0.765,467 10.75,468 0.632,469 11.237,470 0.661,471 18.086,472 0.603,473 14.878,474 0.875,475 4.568,476 0.269,477 3.545,478 0.209,479 0.242,481 0.361,485 0.963,486 1.15,487 0.635,488 0.791,489 1.201,490 0.796,491 0.413,492 0.907,493 0.574,494 0.851,495 0.384,496 0.838,497 1.149,498 1.042,499 0.954,500 0.875,501 0.951,502 0.856,503 0.869,504 1.348,505 0.978,506 1.267,507 0.791,508 1.219,509 1.264,510 1.244,511 0.883,512 1.073,513 1.376,514 1.21,515 0.984,516 0.875,517 0.784,518 0.855,519 1.133,520 0.983,521 0.387,522 0.726,523 0.694,524 0.84,525 0.506,526 0.787,527 1.818,528 0.665,529 2.275,530 1.233,531 1.637,532 1.084,533 4,535 2,536 1.75,537 1.187,538 0.479,539 0.424,540 0.122,541 0.066,543 1998,544 6616,545 1.96,546 43.3,547 3,548 4,551 4,552 2,555 1.576,556 1.789,557 2.778,558 2.12,560 1,561 1,562 1,564 48.081,565 1.603,566 3.52,567 4.015,568 4.282,569 4.282,570 4.282,571 2.19,572 3.69,573 4.058,574 2.853,575 388.004,576 6.892,577 3432.01,578 1,579 1,581 1,582 147.207,583 1.549,584 3.989,585 0.222,587 0.08,588 0.067,589 0.049,590 0.025,591 0.035,592 0.015,593 0.022,595 0.517,596 0.33,597 1,598 0.972,599 68.856,600 -0.188,601 0.065,602 -0.017,603 0.117,604 -0.317,605 0.087,606 0.335,607 0.192,608 0.149,609 0.105,610 0.315,611 0.108,612 -0.191,613 0.009,614 -0.045,615 0.08,616 -0.117,617 0.082,618 -0.014,619 -0.266,620 -0.194,621 -0.337,622 0.07,623 -0.302,624 -0.343,625 -0.156,626 -0.257,627 -0.242,628 -0.321,629 -0.346,630 -0.124,631 0.006,632 0.026,633 0.066,634 -0.177,635 -0.003,636 0.535,637 -0.019,638 0.466,639 0.207,640 0.444,641 0.306,642 -0.249,643 -0.036,644 -0.208,645 -0.015,646 -0.225,647 0.044,648 1.461,649 1.904,650 0.706,651 9.446,652 1.005,653 1.134,654 3.048,655 9.293,656 0.69,657 2.944,658 3.258,659 3.497,660 3.761,661 3.932,662 3.871,663 3.807,664 3.638,665 3.497,666 3.135,667 4.12,668 0.652,669 248.74,670 2.944,671 4.466,672 5.303,673 6.184,674 7.043,675 7.929,676 8.796,677 9.683,678 10.552,679 11.44,680 13.3,684 2,690 2,695 4,696 2,700 6,702 12,711 2,717 1,718 30,719 12,720 1,721 18,723 31,724 12,725 10,726 2,727 4,729 2,730 2,731 1,734 1,739 1,741 10,742 2,754 1,757 13,758 4,759 4,760 5,761 1,764 4,769 1,776 1,781 2,802 2,806 1,807 1,810 17,811 2,816 1,828 1,836 9.5,837 5.543,838 3.833,839 1.77,840 2.332,841 1.391,842 0.987,843 3.383,844 8.3,845 3.219,846 3.85,847 4.425,848 5.017,849 5.547,850 5.725,851 5.968,852 6.193,853 6.405,854 6.477,855 0.8,856 26,857 6.2,859 2.54,860 7.83,861 11.648,863 9.146,865 2.33,866 39.611,867 0.001,870 105.94,871 66.12,872 99.365,873 39.149,877 66.12,878 145.089,879 99.365,880 8.825,881 2.535,882 103.699,883 33.571,884 12.629,885 4.227,886 105.94,887 39.149,888 105.94,889 165.486,891 39.149,893 105.94,897 16.016,898 115.899,899 72.72,901 105.94,902 99.365,903 105.269,906 105.94,907 19.39,908 46.73,910 138.514,911 105.94,912 99.365,913 105.269,915 0.579,916 0.342,917 0.193,918 0.108,919 12,920 6,921 0.065,922 2,924 1,925 2.813,926 116.893,928 12,929 65.487,933 11.989,934 4.798,935 2.443,937 99.365,938 7.414,939 8.197,943 3.912,945 65.794,946 310.574,947 24,956 30.149,957 34.013,958 0.327,959 0.717,960 0.818,961 0.873,962 0.873,963 0.873,964 4.431,965 0.108,966 5.303,967 1.095,968 3.932,969 4.533,971 6.12,972 3.818,973 5.661,974 -0.388,975 6.87,976 0.209,977 3.611,978 4.407,980 7.071,981 3.402,982 6.979,983 -0.481,984 8.536,985 -0.921,986 5.525,987 6.763,989 10.172,990 5.335,991 8.332,992 -0.909,993 10.261,994 -1.153,995 5.969,996 7.384,998 11.975,999 5.724,1000 9.713,1001 -1,1002 12.026,1003 -2.012,1004 7.407,1005 9.257,1007 14.627,1008 7.171,1009 11.115,1010 -1.317,1011 13.819,1012 -3,1013 8.219,1014 10.252,1016 16.797,1017 7.957,1018 12.534,1019 -1.519,1020 15.637,1021 -3.147,1022 9.47,1023 11.906,1025 19.291,1026 9.205,1027 3.154,1028 -1.715,1029 17.473,1030 -4.048,1031 10.462,1032 13.104,1034 21.607,1035 10.18,1036 2.504,1037 11.037,1038 19.325,1039 -4.939,1040 11.641,1041 14.649,1043 24.043,1044 11.349,1045 2.186,1046 6.945,1047 21.189,1048 4.229,1049 12.717,1050 15.958,1052 26.412,1053 12.408,1054 1.983,1055 5.987,1056 23.064,1057 3.513,1058 13.87,1059 17.448,1061 28.826,1062 13.547,1063 1.717,1064 5.694,1065 24.946,1066 2.906,1067 14.984,1068 18.817,1070 31.216,1071 14.644,1072 1,1073 4.828,1074 26.835,1075 2.548,1076 16.131,1077 20.279,1079 33.622,1080 15.772,1081 0.572,1082 2.275,1083 28.729,1084 2.297,1085 17.262,1086 21.681,1088 36.019,1089 16.884,1090 2102,1091 3906,1092 11.444,1093 20.688,1094 26.593,1095 26.928,1096 28.342,1097 26.652,1098 26.449,1099 35.532,1101 76.144,1102 24.76,1103 5.177,1104 5.239,1105 6.284,1106 5.199,1107 5.154,1108 7.229,1110 17.92,1111 5.079,1112 9.482,1113 1.477,1114 1.496,1115 1.575,1116 1.481,1117 1.469,1118 1.974,1120 4.23,1121 1.376,1122 4.002,1123 4.036,1124 4.033,1125 3.929,1126 5.286,1127 3.93,1128 3.747,1129 3.79,1130 3.816,1131 3.623,1132 4.985,1133 3.632,1134 3.392,1135 3.485,1136 3.287,1137 3.193,1138 4.926,1139 3.184,1140 3.106,1141 3.215,1142 3.204,1143 2.889,1144 4.466,1145 2.902,1146 2.877,1147 2.963,1148 2.909,1149 2.735,1150 4.24,1151 2.715,1152 2.854,1153 2.925,1154 2.687,1155 2.618,1156 3.965,1157 2.636,1158 2.657,1159 2.746,1160 2.563,1161 2.421,1162 3.674,1163 2.413,1164 2.324,1165 2.486,1166 2.189,1167 1.899,1168 3.609,1169 1.888,1170 0.251,1171 0.18,1172 0.376,1173 0.229,1174 0.175,1175 4.515,1176 0.235,1177 3.239,1179 6.762,1180 0.613,1181 4.129,1182 0.171,1183 3.154,1184 4.229,1186 11.037,1187 3.079,1188 1.957,1189 1.933,1190 2.034,1191 2.059,1192 1.186,1193 2.052,1194 1.703,1195 1.66,1196 1.86,1197 1.85,1198 1.003,1199 1.855,1200 1.381,1201 1.296,1202 1.618,1203 1.633,1204 0.599,1205 1.652,1206 1.009,1207 0.932,1208 1.268,1209 1.372,1210 0.218,1211 1.355,1212 0.886,1213 0.821,1214 1.181,1215 1.102,1216 0.133,1217 1.119,1218 0.805,1219 0.708,1220 1.119,1221 1.062,1222 0.047,1223 1.107,1224 0.626,1225 0.531,1226 0.934,1227 0.858,1229 0.898,1230 0.288,1231 0.117,1232 0.745,1233 0.714,1235 0.745,1236 3.611,1238 4.92,1240 6.438,1242 8.056,1244 9.727,1246 2.001,1247 5.855,1250 11.487,1252 0.745,1262 19.547,1263 48.081,1264 105.597,1265 120.452,1266 128.452,1267 128.452,1268 128.452,1269 22.785,1270 5.969,1271 77.82,1272 77.82,1273 12,1274 11.974,1275 3.7,1276 2.807,1277 28.208,1278 40,1279 45,1280 0.356,1281 129.037,1282 213.01,1283 306.611,1284 2252,1285 3.3,1286 12.414,1287 0.73,1288 0.6,1289 12.914,1290 10.2,1291 8.113,1292 0.451,1293 0.315,1294 5.274,1295 7.603,1296 5.088,1297 4.257,1298 8.402,1299 5.671,1300 7.319,1301 0.293,1302 0.163,1303 7.728,1304 4.086,1305 5.81,1306 0.182,1307 0.086,1308 6.099,1309 2.749,1310 4.986,1311 0.119,1312 0.044,1313 5.152,1314 1.859,1315 3.876,1316 0.078,1317 0.025,1318 4.09,1319 1.254,1320 0.524,1321 53.25,1322 0.296,1323 16.724,1324 1.08,1325 86,1326 242.118,1327 107.903,1328 274.395,1329 368.88,1330 254,1331 100,1332 256.187,1333 115.42,1334 271.592,1335 395.05,1336 256,1337 5.824}
{0 CHEMBL361101,1 1.429,2 7.813,3 2.049,4 4.198,5 66.721,6 7.143,7 0.706,8 3.489,9 3.639,10 3.007,11 3.021,12 4.657,13 2.995,14 3.935,15 4.122,16 3.296,17 3.368,18 5.066,19 3.3,20 4.15,21 4.378,22 3.242,23 3.442,24 5.131,25 3.34,26 4.177,27 4.44,28 2.997,29 3.334,30 5.16,31 3.182,32 4.118,33 4.428,34 2.803,35 3.182,36 4.968,37 3.023,38 3.823,39 4.096,40 2.827,41 3.013,42 4.784,43 2.899,44 3.718,45 3.987,46 2.715,47 2.856,48 4.801,49 2.765,50 3.543,51 3.843,52 2.343,53 2.579,54 4.543,55 2.449,56 0.044,57 0.471,58 6.434,59 2.328,60 8.985,61 3.407,62 0.14,63 0.692,64 10.56,65 4.276,66 16.87,67 6.031,68 0.092,69 0.783,70 13.731,71 4.819,72 15.72,73 7.271,74 0.174,75 0.744,76 14.752,77 4.888,78 29.313,79 7.442,80 0.169,81 0.644,82 14.685,83 4.371,84 25.749,85 6.954,86 0.068,87 0.518,88 10.36,89 3.51,90 14.891,91 5.423,92 0.102,93 0.478,94 9.391,95 2.49,96 18.767,97 4.108,98 0.088,99 0.368,100 8.123,101 2.182,102 15.645,103 3.616,104 5,105 22,106 0.274,107 0.615,108 0.709,109 0.796,110 0.84,111 0.84,112 2.851,113 0.911,114 -3.74,115 -3.7,116 -3.52,119 40,121 2,139 5,140 2,142 1,144 1,147 1,157 2,158 2,159 2,166 9,169 1,170 2,172 3,173 3,175 1,178 10,180 1,182 2,187 1,189 8,191 1,193 2,195 1,196 1,197 1,198 2,200 2,201 5,204 2,205 1,207 2,212 2,215 3,218 2,221 4,226 3,229 1,231 3,234 4,239 3,243 3,246 2,251 3,256 3,265 2,270 2,273 250,274 10.776,275 10.776,276 10.776,277 10.776,278 10.776,279 9.196,280 10.201,281 6.591,282 10.956,283 8.394,284 8.394,285 8.394,286 8.394,287 8.394,288 6.157,289 9.159,290 3.162,291 8.691,292 3.477,293 1.704,294 1.212,295 0.758,296 0.533,297 0.533,298 3.505,301 1,302 1,303 261,304 2,307 106.147,314 1.109,315 10.591,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 34,327 125,328 4.232,329 3.032,330 6.06,331 3.819,332 2.86,333 3.88,335 8.711,336 2.75,337 3.891,338 2.693,339 5.337,340 3.5,341 2.506,342 3.442,344 6.956,345 2.49,346 3.46,347 2.28,348 4.955,349 3.04,350 2.114,351 2.775,353 5.801,354 1.951,355 2.939,356 1.697,357 4.176,358 2.536,359 1.559,360 2.107,362 3.792,363 1.526,364 2.83,365 1.524,366 3.634,367 2.367,368 1.414,369 1.962,371 3.122,372 1.341,373 2.5,374 1,375 3.247,376 2,377 1,378 1.5,380 2.136,381 1,382 1.962,383 0.838,384 3.166,385 1.716,386 0.741,387 0.878,389 1.691,390 0.721,391 1.26,392 0.216,393 2.477,394 0.949,400 0.799,401 -0.314,402 2.359,403 0.394,404 -0.514,405 -0.621,407 -1.242,408 -0.466,409 0.69,410 -0.483,411 1.922,412 0.326,413 -0.66,414 -0.833,415 -1.463,416 -0.65,417 0.5,418 -0.991,419 1.555,421 -1,422 -1.44,423 -2.347,424 -1,425 0.15,426 -1,427 1.374,428 -0.171,429 -1.126,430 -1.5,431 -2.919,432 -1.066,433 -0.15,434 -1.26,435 1.134,436 -0.444,437 -1.414,438 -1.856,439 -4.015,440 -1.355,441 -0.241,442 -1.419,443 1,444 -0.626,445 -1.549,446 -2.038,448 -4.067,449 -1.449,450 -0.5,451 -1.653,452 0.781,453 -0.937,454 -1.93,455 -2.256,457 -4.789,458 -1.872,459 7.6,460 0.475,461 0.332,462 0.021,463 23,464 1.438,465 13,466 0.813,467 10,468 0.625,469 8.902,470 0.556,471 17,472 0.567,473 13.283,474 0.83,475 4.584,476 0.287,477 3.17,478 0.198,479 0.105,481 0.263,485 1.188,486 1.16,487 0.894,488 0.926,489 1.326,490 0.88,491 0.394,492 0.932,493 0.86,494 1.086,495 0.423,496 1.042,497 0.95,498 1.213,499 1.05,500 1.181,501 0.838,502 1.137,503 0.958,504 1.019,505 1.207,506 1.201,507 1.014,508 1.231,509 1.155,510 0.719,511 0.988,512 0.77,513 1.141,514 0.843,515 0.703,516 1.083,517 0.764,518 0.967,519 0.691,520 0.889,521 1.472,522 1.124,523 1.071,524 0.941,525 1.349,526 0.952,527 1.292,528 1.027,529 1.009,530 0.906,531 1.126,532 0.918,533 3,534 0.012,535 1.556,536 0.625,537 0.604,538 0.347,539 0.122,540 0.134,541 0.102,542 0.03,543 2073,544 5471,545 2.03,546 46.7,547 4,548 5,550 1,551 4,555 1.545,556 1.92,557 2.981,558 2.137,560 1,561 1,562 1,564 42.884,565 1.429,566 3.203,567 3.695,568 4.148,569 4.374,570 4.374,571 2.43,572 3.203,573 3.975,574 3.066,575 367.906,576 6.664,577 3232.08,579 1,581 1,582 147.207,583 1.299,584 3.94,585 0.176,586 0.012,587 0.071,588 0.031,589 0.043,590 0.029,591 0.009,592 0.012,593 0.015,594 0.01,595 0.409,596 0.5,597 1,598 0.625,599 65.401,600 -0.206,601 0.058,602 -0.006,603 0.11,604 -0.273,605 0.083,606 0.438,607 0.179,608 0.04,609 -0.041,610 0.309,611 -0.051,612 -0.096,613 -0.198,614 -0.122,615 -0.175,616 -0.077,617 -0.156,618 -0.004,619 -0.058,620 -0.25,621 -0.24,622 -0.041,623 -0.271,624 -0.165,625 0.155,626 0.016,627 0.166,628 -0.157,629 0.123,630 0.1,631 -0.181,632 0.203,633 0.029,634 0.158,635 0.113,636 -0.225,637 -0.134,638 -0.072,639 -0.046,640 -0.149,641 -0.04,642 -0.137,643 -0.129,644 0.008,645 -0.011,646 -0.014,647 0.013,648 1.444,649 1.754,650 0.75,651 9.172,652 0.994,653 1.136,654 2.509,655 6.293,656 0.661,657 2.89,658 3.135,659 3.296,660 3.434,661 3.584,662 3.401,663 3.258,664 3.332,665 3.332,666 3.219,667 4.661,668 0.624,669 214.3,670 2.89,671 4.369,672 5.165,673 5.989,674 6.799,675 7.626,676 8.441,677 9.27,678 10.088,679 10.917,680 13.3,684 2,690 2,695 6,696 2,700 4,702 12,711 2,718 30,719 12,720 1,721 17,723 31,724 12,725 10,726 1,727 5,729 2,730 2,739 2,741 10,742 2,754 1,757 14,758 4,759 4,760 4,764 4,769 1,776 1,781 2,802 2,810 16,811 2,816 2,836 8.333,837 5.067,838 3.611,839 1.64,840 2.181,841 1.378,842 0.99,843 3.248,844 7.947,845 3.178,846 3.738,847 4.22,848 4.677,849 5.15,850 4.933,851 4.894,852 5.251,853 5.642,854 5.901,855 1,856 20,857 5.842,859 2.358,860 7.729,861 11.129,863 8.699,865 2.229,866 35.667,867 0.002,870 117.711,871 72.096,872 99.365,877 72.096,878 117.711,879 99.365,881 5.069,882 113.176,883 45.342,884 15.419,885 4.227,886 105.94,888 117.711,889 171.461,893 117.711,897 16.016,898 121.875,899 33.571,901 117.711,902 99.365,903 72.096,906 117.711,907 15.667,908 56.429,910 99.365,911 117.711,912 99.365,913 72.096,915 0.567,916 0.315,917 0.158,918 0.084,919 10,920 4,921 0.097,922 3,924 1,925 2.931,926 99.554,928 12,929 60,933 10.742,934 4.838,935 2.863,937 99.365,938 11.934,939 7.869,943 2.918,945 65.794,946 289.172,947 23,956 29.825,957 34.069,958 0.291,959 0.653,960 0.753,961 0.845,962 0.891,963 0.891,964 4.344,966 5.106,967 1.691,968 3.807,969 4.419,971 5.796,972 3.741,973 5.523,974 -0.514,975 6.592,977 3.219,978 4.007,980 6.447,981 3.102,982 6.792,983 -0.66,984 8.174,985 -1.242,986 5.283,987 6.543,989 9.468,990 5.155,991 8.095,992 -1,993 9.814,994 -1.463,995 5.485,996 6.899,998 10.937,999 5.305,1000 9.425,1001 -1.126,1002 11.49,1003 -2.347,1004 7.015,1005 8.911,1007 13.446,1008 6.826,1009 10.775,1010 -1.414,1011 13.191,1012 -2.919,1013 7.609,1014 9.657,1016 15.268,1017 7.371,1018 12.141,1019 -1.549,1020 14.91,1021 -4.015,1022 8.887,1023 11.402,1025 17.581,1026 8.635,1027 2.86,1028 -1.93,1029 16.644,1030 -4.067,1031 9.689,1032 12.373,1034 19.571,1035 9.388,1036 2.506,1037 8.711,1038 18.388,1039 -4.789,1040 10.842,1041 13.964,1043 21.801,1044 10.521,1045 2.114,1046 6.956,1047 20.14,1048 3.88,1049 11.755,1050 15.074,1052 23.874,1053 11.386,1054 1.559,1055 5.801,1056 21.9,1057 3.442,1058 12.847,1059 16.571,1061 26.067,1062 12.452,1063 1.414,1064 3.792,1065 23.665,1066 2.775,1067 13.82,1068 17.768,1070 28.183,1071 13.377,1072 1,1073 3.122,1074 25.435,1075 2.107,1076 14.884,1077 19.207,1079 30.36,1080 14.409,1081 0.741,1082 2.136,1083 27.21,1084 1.962,1085 15.889,1086 20.461,1088 32.498,1089 15.369,1090 2095,1091 3479,1092 11.326,1093 19.83,1094 24.687,1095 24.528,1096 24.915,1097 24.451,1098 24.388,1099 33.087,1101 64.418,1102 23.557,1103 5.055,1104 5.032,1105 5.862,1106 4.888,1107 4.86,1108 6.88,1110 14.952,1111 4.75,1112 6.524,1113 1.452,1114 1.443,1115 1.466,1116 1.438,1117 1.435,1118 1.946,1120 3.789,1121 1.386,1122 3.957,1123 3.999,1124 3.893,1125 3.881,1126 5.29,1127 3.876,1128 3.831,1129 3.878,1130 3.778,1131 3.692,1132 4.978,1133 3.71,1134 3.346,1135 3.425,1136 3.204,1137 3.173,1138 4.75,1139 3.172,1140 3.054,1141 3.178,1142 2.905,1143 2.777,1144 4.449,1145 2.796,1146 2.888,1147 2.994,1148 2.739,1149 2.735,1150 3.895,1151 2.715,1152 2.854,1153 2.925,1154 2.687,1155 2.599,1156 3.74,1157 2.627,1158 2.644,1159 2.745,1160 2.43,1161 2.425,1162 3.674,1163 2.414,1164 2.25,1165 2.399,1166 2.004,1167 1.881,1168 3.455,1169 1.853,1170 0.249,1171 0.178,1172 0.356,1173 0.225,1174 0.168,1175 4.232,1176 0.228,1177 3.032,1179 6.06,1180 0.512,1181 3.819,1182 0.162,1183 2.86,1184 3.88,1186 8.711,1187 2.75,1188 1.936,1189 1.904,1190 2.069,1191 2.039,1192 1.268,1193 2.046,1194 1.776,1195 1.732,1196 1.882,1197 1.941,1198 0.976,1199 1.929,1200 1.329,1201 1.257,1202 1.566,1203 1.551,1204 0.603,1205 1.569,1206 0.965,1207 0.867,1208 1.262,1209 1.349,1210 0.218,1211 1.338,1212 0.886,1213 0.821,1214 1.181,1215 1.153,1216 0.183,1217 1.164,1218 0.826,1219 0.716,1220 1.151,1221 1.062,1223 1.107,1224 0.647,1225 0.546,1226 1.008,1227 0.909,1229 0.95,1230 0.235,1231 0.085,1232 0.776,1233 0.593,1235 0.662,1236 3.555,1238 4.812,1240 6.267,1242 7.808,1244 9.386,1250 11.187,1252 1.758,1262 18.72,1263 42.884,1264 96.087,1265 110.842,1266 124.452,1267 131.207,1268 131.207,1269 18.037,1270 5.765,1271 77.82,1272 77.82,1273 12,1274 11.493,1275 3.7,1276 2.807,1277 26.122,1278 45,1279 36,1280 0.293,1281 120.705,1282 197.8,1283 286.279,1284 1954,1286 11.38,1287 0.711,1288 0.558,1289 11.38,1290 8.927,1291 7.754,1292 0.456,1293 0.304,1294 5.112,1295 7.547,1296 4.995,1297 4.183,1298 7.754,1299 5.163,1300 6.737,1301 0.306,1302 0.165,1303 6.737,1304 3.624,1305 5.28,1306 0.203,1307 0.094,1308 5.28,1309 2.442,1310 4.083,1311 0.136,1312 0.052,1313 4.083,1314 1.551,1315 3.069,1316 0.088,1317 0.029,1318 3.069,1319 1.009,1320 0.455,1321 47.964,1322 0.297,1323 16.447,1324 0.803,1325 78,1326 203.915,1327 84.05,1328 208.392,1329 286.42,1330 194,1331 87,1332 213.972,1333 92.329,1334 220.602,1335 313.69,1336 207,1337 4.399}
{0 CHEMBL362254,1 1.905,2 8.611,3 2.514,4 6.321,5 73.068,6 10.184,7 0.632,8 3.471,9 3.582,10 3.276,11 3.014,12 4.752,13 3.022,14 3.9,15 4.031,16 3.668,17 3.358,18 5.22,19 3.342,20 4.076,21 4.213,22 3.862,23 3.451,24 5.429,25 3.399,26 4.046,27 4.233,28 3.385,29 3.254,30 5.227,31 3.165,32 3.945,33 4.182,34 3.183,35 3.072,36 5.093,37 2.988,38 3.699,39 3.897,40 3.168,41 2.986,42 4.869,43 2.922,44 3.607,45 3.806,46 3.164,47 2.949,48 4.847,49 2.888,50 3.602,51 3.835,52 3.274,53 2.824,54 4.903,55 2.73,56 0.133,57 0.418,58 2.956,59 1.992,60 13.991,61 2.061,62 0.278,63 0.584,64 6.572,65 3.638,66 21.494,67 3.958,68 0.451,69 0.613,70 14.532,71 4.389,72 30.664,73 4.618,74 0.415,75 0.555,76 14.08,77 4.737,78 37.415,79 5.221,80 0.474,81 0.5,82 16.281,83 3.931,84 46.407,85 4.534,86 0.307,87 0.424,88 11.715,89 3.448,90 22.282,91 4.108,92 0.195,93 0.428,94 5.666,95 2.376,96 18.913,97 2.74,98 0.284,99 0.327,100 11.572,101 2.91,102 27.598,103 3.711,104 17,105 26,106 0.371,107 0.723,108 0.807,109 0.882,110 0.895,111 0.895,112 2.959,113 0.91,114 -3.76,115 -3.72,116 -3.54,119 39.3,125 1,139 3,140 1,141 3,142 1,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 1,172 3,173 3,178 4,181 2,182 2,184 1,185 1,189 6,193 1,195 1,196 1,197 1,200 2,201 2,205 1,207 3,209 1,210 1,212 1,218 1,221 5,226 2,231 2,234 2,239 2,243 2,246 2,251 3,256 3,260 2,265 2,270 2,273 336,274 11.723,275 11.723,276 11.723,277 11.723,278 11.723,279 10.066,280 14.268,281 6.843,282 12.252,283 9.328,284 9.328,285 9.328,286 9.328,287 9.328,288 6.948,289 17.194,290 3.25,291 10.336,292 2.903,293 1.098,294 0.67,295 0.286,296 0.214,297 0.214,298 3.611,299 2,301 1,302 1,303 320,304 2.236,307 122.828,314 1.21,315 20.114,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 39.667,327 155,328 4.244,329 3.327,330 6.061,331 3.799,332 2.875,333 3.891,334 1.151,335 8.717,336 2.653,337 4.199,338 3.115,339 5.948,340 3.718,341 2.807,342 3.857,344 8.311,345 2.553,346 3.541,347 2.649,348 5.208,349 3.144,350 2.238,351 2.849,353 6.423,354 1.941,355 3.428,356 2.294,357 4.953,358 2.992,359 2.077,360 2.741,362 5.786,363 1.86,364 2.848,365 2.135,366 4.173,367 2.381,368 1.473,369 1.979,371 3.77,372 1.332,373 2.82,374 1.728,375 4.042,376 2.306,377 1.414,378 1.948,380 3.524,381 1.199,382 2.018,383 1.186,384 3.292,385 1.689,386 0.816,387 0.95,389 1.878,390 0.696,391 1.459,392 0.74,393 2.661,394 1.042,395 0.211,396 0.251,398 0.468,399 0.15,400 1.124,401 0.334,402 2.375,403 0.688,404 -0.116,405 -0.137,407 -0.262,408 -0.086,409 0.797,410 -0.069,411 2.359,412 0.392,413 -0.514,414 -0.621,415 -1.242,416 -0.441,417 0.726,418 -0.314,419 2.162,420 0.253,421 -0.627,422 -0.782,423 -1.61,424 -0.466,425 0.225,426 -0.549,427 1.8,428 -0.115,429 -1,430 -1.207,431 -2.672,432 -0.801,433 0.034,434 -0.914,435 1.373,436 -0.355,437 -1.24,438 -1.562,439 -3.199,440 -1.063,441 -0.171,442 -1.126,443 1.281,444 -0.588,445 -1.414,446 -1.845,448 -4.018,449 -1.124,450 -0.207,451 -1.272,452 1.155,453 -0.691,454 -1.476,455 -1.894,457 -4.041,458 -1.341,459 8.862,460 0.492,461 0.527,462 0.029,463 25.5,464 1.417,465 13.5,466 0.75,467 12,468 0.667,469 11.35,470 0.631,471 19.338,472 0.691,473 15.927,474 0.885,475 5.142,476 0.286,477 3.416,478 0.19,479 0.251,481 0.339,485 0.945,486 1.211,487 0.53,488 0.717,489 1.127,490 0.69,491 0.905,492 0.879,493 0.594,494 0.745,495 0.622,496 0.761,497 1.034,498 1.094,499 0.913,500 1.006,501 0.854,502 1.058,503 1.264,504 1.054,505 1.045,506 1.159,507 1.067,508 1.228,509 1.072,510 0.64,511 0.984,512 0.826,513 1.202,514 0.917,515 0.8,516 1.095,517 0.808,518 0.983,519 0.707,520 0.918,521 0.902,522 1.278,523 0.749,524 0.817,525 1.196,526 0.965,527 0.65,528 1.046,529 0.933,530 0.943,531 0.766,532 0.857,533 4.5,534 0.041,535 2.444,536 1,537 0.987,538 0.403,539 0.202,540 0.283,541 0.188,542 0.076,543 2783,544 11749,545 1.963,546 35.7,548 5,550 1,551 4,555 1.581,556 1.8,557 3.098,558 2.159,560 1,562 1,564 53.333,565 1.905,566 3.709,567 4.138,568 4.522,569 4.593,570 4.593,571 2.483,572 3.614,573 4.146,574 3.198,575 489.24,576 7.008,577 4709.05,578 1,579 1,581 1,582 134.606,583 1.53,584 4.076,585 0.237,586 0.014,587 0.094,588 0.04,589 0.058,590 0.029,591 0.013,592 0.02,593 0.016,594 0.011,595 0.532,596 0.5,597 1,598 0.714,599 77.334,600 -0.213,601 -0.006,602 -0.024,603 0.084,604 -0.344,605 0.084,606 0.007,607 0.212,608 0.063,609 0.132,610 0.123,611 0.091,612 0.037,613 -0.079,614 0.009,615 -0.07,616 0.042,617 -0.183,618 -0.197,619 -0.151,620 -0.165,621 -0.192,622 -0.127,623 -0.25,624 -0.073,625 0.28,626 -0.076,627 0.127,628 -0.185,629 0.093,630 0.086,631 -0.19,632 0.059,634 0.105,635 0.117,636 -0.218,637 -0.18,638 -0.029,639 0.031,640 -0.297,641 -0.076,642 0.233,643 -0.161,644 0.254,645 0.086,646 0.297,647 0.219,648 1.561,649 1.965,650 0.667,651 11.333,652 1.033,653 1.134,654 2.529,655 6.394,656 0.723,657 2.996,658 3.296,659 3.466,660 3.584,661 3.761,662 3.638,663 3.466,664 3.584,665 3.638,666 3.584,667 5.082,668 0.699,669 285.15,670 2.996,671 4.511,672 5.323,673 6.168,674 6.995,675 7.838,676 8.67,677 9.512,678 10.345,679 11.188,680 14.3,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 1,717 2,718 28,719 12,720 1,721 19,723 29,724 11,725 10,726 3,727 3,729 2,730 2,731 2,741 10,742 1,754 1,757 10,758 5,759 4,760 7,761 2,764 4,769 1,770 1,776 1,781 2,802 2,807 2,810 18,811 2,816 1,818 1,828 2,829 3.6,834 1,836 10,837 4.852,838 3.972,839 1.358,840 2.203,841 1.366,842 0.976,843 4.111,844 8.227,845 3.258,846 3.871,847 4.363,848 4.814,849 5.306,850 5.211,851 5.073,852 5.437,853 5.866,854 6.173,855 0.833,856 25,857 6.533,859 2.684,860 8.012,861 11.968,863 9.21,865 2.512,866 45.222,870 70.627,871 61.726,872 99.365,873 78.297,874 11,877 61.726,878 159.924,879 99.365,881 4.592,882 94.223,883 45.342,884 35.478,885 4.227,886 58.856,887 78.297,888 70.627,889 161.091,890 11,891 78.297,893 70.627,894 11,897 15.539,898 111.981,899 111.868,901 70.627,902 110.365,903 140.023,906 70.627,907 24.25,908 37.476,910 188.663,911 70.627,912 110.365,913 140.023,915 0.587,916 0.332,917 0.154,918 0.083,919 12,920 6,921 0.103,922 3,924 1,925 3.041,926 119.605,928 12,929 75.059,933 13.204,934 5.605,935 3.388,937 110.365,938 6.654,939 7.588,943 2.503,945 65.794,946 321.015,947 25,956 28.916,957 31.751,958 0.396,959 0.772,960 0.861,961 0.941,962 0.955,963 0.955,964 4.466,965 0.211,966 5.313,967 1.878,968 3.97,969 4.554,970 1.294,971 6.057,972 3.77,973 5.685,974 -0.116,975 6.847,976 0.468,977 3.611,978 4.407,980 6.823,981 3.252,982 6.989,983 -0.514,984 8.473,985 -0.262,986 5.517,987 6.742,988 1.506,989 9.822,990 5.155,991 8.324,992 -0.627,993 10.148,994 -1.242,995 5.889,996 7.311,998 11.323,999 5.356,1000 9.683,1001 -1,1002 11.852,1003 -1.61,1004 7.313,1005 9.173,1006 1.731,1007 13.845,1008 6.785,1009 11.058,1010 -1.24,1011 13.576,1012 -2.672,1013 8.024,1014 10.087,1016 15.669,1017 7.34,1018 12.447,1019 -1.414,1020 15.314,1021 -3.199,1022 9.243,1023 11.729,1024 1.968,1025 17.997,1026 8.546,1027 2.875,1028 -1.476,1029 17.062,1030 -4.018,1031 10.121,1032 12.828,1034 19.979,1035 9.287,1036 2.807,1037 8.717,1038 18.819,1039 -4.041,1040 11.247,1041 14.352,1042 2.214,1043 22.217,1044 10.379,1045 2.238,1046 8.311,1047 20.582,1048 3.891,1049 12.208,1050 15.557,1052 24.28,1053 11.22,1054 2.077,1055 6.423,1056 22.35,1057 3.857,1058 13.29,1059 17.012,1060 2.468,1061 26.474,1062 12.253,1063 1.473,1064 5.786,1065 24.122,1066 2.849,1067 14.294,1068 18.278,1070 28.578,1071 13.148,1072 1.414,1073 3.77,1074 25.898,1075 2.741,1076 15.356,1077 19.693,1078 2.727,1079 30.751,1080 14.149,1081 0.816,1082 3.524,1083 27.677,1084 1.979,1085 16.38,1086 20.995,1088 32.877,1089 15.075,1090 2842,1091 5938,1092 12.137,1093 20.239,1094 28.061,1095 29.03,1096 29.039,1097 27.994,1098 27.82,1099 36.932,1100 2.302,1101 77.753,1102 24.769,1103 5.072,1104 5.327,1105 5.445,1106 4.868,1107 4.875,1108 6.891,1109 2.302,1110 14.963,1111 4.653,1112 10.193,1113 1.477,1114 1.528,1115 1.528,1116 1.473,1117 1.464,1118 1.944,1119 0.121,1120 4.092,1121 1.304,1122 3.941,1123 3.964,1124 4.116,1125 3.882,1126 5.305,1127 3.873,1128 3.827,1129 3.872,1130 3.827,1131 3.642,1132 5.042,1133 3.678,1134 3.252,1135 3.297,1136 3.415,1137 3.073,1138 4.983,1139 3.072,1140 3.057,1141 3.17,1142 3.377,1143 2.793,1144 4.612,1145 2.798,1146 2.885,1147 2.989,1148 3.007,1149 2.762,1150 4.49,1151 2.762,1152 2.875,1153 2.921,1154 2.807,1155 2.577,1156 4.32,1157 2.609,1158 2.546,1159 2.597,1160 2.638,1161 2.324,1162 4.069,1163 2.308,1164 2.25,1165 2.398,1166 2.356,1167 1.791,1168 3.739,1169 1.816,1170 0.223,1171 0.175,1172 0.319,1173 0.2,1174 0.151,1175 4.244,1176 0.205,1177 3.327,1178 0.061,1179 6.061,1180 0.459,1181 3.799,1182 0.14,1183 2.875,1184 3.891,1185 1.151,1186 8.717,1187 2.653,1188 1.896,1189 1.881,1190 1.968,1191 1.999,1192 1.134,1193 1.989,1194 1.726,1195 1.683,1196 1.793,1197 1.92,1198 0.744,1199 1.901,1200 1.165,1201 1.126,1202 1.379,1203 1.433,1204 0.548,1205 1.419,1206 0.957,1207 0.854,1208 1.256,1209 1.329,1210 0.161,1211 1.325,1212 0.867,1213 0.824,1214 1.127,1215 1.144,1217 1.153,1218 0.799,1219 0.691,1220 1.077,1221 1.01,1223 1.053,1224 0.481,1225 0.417,1226 0.715,1227 0.7,1229 0.733,1230 0.152,1232 0.526,1233 0.574,1235 0.569,1236 3.664,1238 4.963,1240 6.45,1242 8.022,1244 9.632,1247 11.708,1250 11.018,1252 0.286,1254 5.465,1262 19.563,1263 53.333,1264 103.851,1265 115.851,1266 126.606,1267 128.606,1268 128.606,1269 26.093,1270 6.023,1271 87.05,1272 87.05,1273 12,1274 11.753,1275 3.7,1276 2.807,1277 31.197,1278 56,1279 46,1280 0.283,1281 131.774,1282 219.71,1283 313.289,1284 2694,1285 7.1,1286 13.121,1287 0.729,1288 0.597,1289 14.121,1290 10.742,1291 8.559,1292 0.45,1293 0.303,1294 4.983,1295 7.659,1296 4.819,1297 3.985,1298 9.136,1299 5.763,1300 7.867,1301 0.303,1302 0.167,1303 8.608,1304 4.329,1305 6.262,1306 0.202,1307 0.094,1308 7.176,1309 2.919,1310 4.528,1311 0.129,1312 0.046,1313 4.929,1314 1.621,1315 3.489,1316 0.083,1317 0.025,1318 3.869,1319 1.058,1320 0.443,1321 60.05,1322 0.287,1323 18.272,1324 0.77,1325 90,1326 316.057,1327 130.632,1328 366.331,1329 472.94,1330 338,1331 102,1332 298.152,1333 138.711,1334 321.561,1335 465.72,1336 300,1337 4.246}
{0 CHEMBL36245,1 1.638,2 10.2,3 1.713,4 2.934,5 96.782,6 7.565,7 0.63,8 3.922,9 4.053,10 3.493,11 3.358,12 5.114,13 3.375,14 4.408,15 4.597,16 3.83,17 3.706,18 5.557,19 3.711,20 4.521,21 4.68,22 3.903,23 3.874,24 5.639,25 3.853,26 4.705,27 4.923,28 3.864,29 3.919,30 5.793,31 3.842,32 4.768,33 5.021,34 3.724,35 3.878,36 5.735,37 3.781,38 4.627,39 4.848,40 3.606,41 3.785,42 5.599,43 3.688,44 4.669,45 4.95,46 3.484,47 3.68,48 5.599,49 3.582,50 4.442,51 4.692,52 3.429,53 3.556,54 5.426,55 3.457,56 0.082,57 0.699,58 9.271,59 3.374,60 11.979,61 4.687,62 0.397,63 1.019,64 17.607,65 5.56,66 31.428,67 7.616,68 0.253,69 1.203,70 18.054,71 6.305,72 19.404,73 8.811,74 0.414,75 1.298,76 23.673,77 8.236,78 41.941,79 12.033,80 0.601,81 1.245,82 27.515,83 8.246,84 45.948,85 12.302,86 0.322,87 1.115,88 22.55,89 7.49,90 31.662,91 10.862,92 0.555,93 1.047,94 26.261,95 6.712,96 48.491,97 10.447,98 0.348,99 0.877,100 19.769,101 6.387,102 29.819,103 9.528,104 30,105 38,106 0.283,107 0.647,108 0.77,109 0.809,110 0.809,111 0.809,112 3.267,113 0.846,114 -3.15,115 -3.14,116 -3.02,119 37.8,124 3,125 1,139 4,140 2,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 9,172 3,173 3,175 1,178 3,180 1,181 1,182 8,187 1,189 1,191 1,192 2,193 2,195 3,196 3,197 1,198 1,200 2,201 1,204 1,205 1,206 4,207 2,209 1,210 1,212 1,215 3,218 1,221 2,229 2,234 4,236 1,237 1,239 1,241 1,243 1,245 2,246 7,251 2,254 1,256 2,265 1,270 1,273 868,274 16.721,275 16.721,276 16.721,277 16.721,278 16.721,279 14.713,280 25.178,281 9.658,282 17.414,283 13.204,284 13.204,285 13.204,286 13.204,287 13.204,288 10.001,289 36.309,290 4.461,291 14.131,292 3.854,293 1.743,294 1.028,295 0.806,296 0.806,297 0.806,298 3.946,300 1,301 1,302 1,303 538,304 3.162,307 215.691,311 112.239,314 1.568,315 21.211,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 55,327 255,328 4.55,329 3.218,330 6.52,331 4.058,332 3.102,333 4.495,334 0.916,335 10.238,336 2.969,337 4.209,338 3.086,339 6.019,340 3.817,341 2.855,342 3.844,343 0.86,344 8.68,345 2.746,346 3.918,347 2.905,348 5.753,349 3.579,350 2.643,351 3.332,352 0.86,353 8.089,354 2.469,355 3.489,356 2.555,357 5.067,358 3.07,359 2.139,360 2.811,361 0.172,362 6.073,363 1.994,364 3.423,365 2.368,366 5.039,367 2.972,368 2.061,369 2.808,371 5.818,372 1.884,373 3.355,374 2.189,375 4.974,376 2.951,377 2.013,378 2.604,380 5.805,381 1.867,382 3.31,383 2.056,384 4.969,385 2.886,386 1.951,387 2.575,389 5.775,390 1.811,391 2.523,392 1.411,393 4.061,394 2.175,395 1.232,396 1.529,398 3.316,399 1.158,400 2.415,401 1.09,402 3.706,403 1.94,404 1.001,405 1.387,407 2.565,408 0.937,409 1.593,410 1.056,411 2.896,412 1.328,413 0.481,414 0.522,415 0.683,416 0.405,417 1.576,418 0.916,419 2.842,420 1.27,421 0.396,422 0.452,423 0.602,424 0.342,425 1.38,426 0.187,427 2.768,428 0.95,429 0.022,430 0.029,431 0.059,432 0.021,433 1.017,434 0.014,435 2.667,436 0.721,437 -0.24,438 -0.285,439 -0.643,440 -0.231,441 0.956,442 -0.298,443 2.514,444 0.467,445 -0.449,446 -0.578,448 -1.158,449 -0.41,450 0.65,451 -0.339,452 2.278,453 0.24,454 -0.694,455 -0.878,457 -1.599,458 -0.637,459 11.567,460 0.463,461 0.677,462 0.027,463 35.75,464 1.43,465 18.5,466 0.74,467 17.25,468 0.69,469 17.374,470 0.695,471 27.433,472 0.61,473 26.777,474 1.071,475 7.363,476 0.295,477 4.632,478 0.185,479 0.199,481 0.38,485 1.037,486 1.495,487 0.802,488 1.181,489 1.198,490 0.97,491 1.234,492 0.771,493 0.769,494 0.669,495 0.691,496 0.648,497 1.133,498 1.37,499 1.054,500 1.215,501 0.971,502 1.135,503 0.563,504 1.166,505 0.957,506 1.273,507 0.629,508 1.204,509 0.959,510 0.802,511 1.045,512 0.92,513 0.998,514 0.991,515 1.084,516 1.275,517 1.172,518 1.324,519 0.956,520 1.287,521 1.286,522 0.648,523 1.08,524 0.71,525 1.157,526 0.823,527 0.791,528 1.055,529 0.876,530 1.067,531 0.648,532 1.017,533 6.5,534 0.136,535 2.444,536 2.125,537 1.831,538 0.903,539 0.487,540 0.37,541 0.148,542 0.257,543 6847,544 20025,545 2.015,546 44.4,548 15,550 1,551 4,555 1.68,556 1.852,557 3.331,558 1.815,559 1,560 1,562 1,564 73.698,565 1.638,566 3.749,567 4.464,568 4.686,569 4.686,570 4.686,571 2.759,572 4.134,573 4.618,574 3.48,575 1043.94,576 7.982,577 12643.7,579 1,581 1,582 247.133,583 1.516,584 4.555,585 0.241,586 0.008,587 0.064,588 0.053,589 0.051,590 0.029,591 0.018,592 0.015,593 0.006,594 0.014,595 0.5,596 0.17,597 1,598 0.942,599 120.602,600 -0.129,601 -0.244,602 0.04,603 -0.103,604 -0.244,605 -0.006,606 -0.048,607 0.328,608 0.182,609 0.33,610 0.199,611 0.296,612 -0.188,613 -0.191,614 -0.18,615 -0.162,616 -0.165,617 -0.171,618 0.208,619 -0.12,620 -0.039,621 -0.243,622 0.191,623 -0.2,624 0.004,625 0.149,626 -0.058,627 0.055,628 -0.083,629 -0.006,630 -0.149,631 -0.296,632 -0.227,633 -0.29,634 -0.135,635 -0.281,636 -0.216,637 0.246,638 -0.043,639 0.208,640 -0.173,641 0.139,642 0.117,643 -0.155,644 0.107,645 -0.04,646 0.179,647 0.014,648 1.554,649 1.932,650 0.64,651 20.464,652 1.01,653 1.14,654 1.916,655 3.672,656 0.651,657 3.332,658 3.664,659 3.912,660 4.174,661 4.407,662 4.454,663 4.489,664 4.533,665 4.575,666 4.615,667 6.093,668 0.628,669 340.43,670 3.332,671 4.875,672 5.72,673 6.603,674 7.465,675 8.35,676 9.217,677 10.103,678 10.973,679 11.859,680 13.3,684 2,686 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,714 1,716 2,718 45,719 17,720 1,721 27,723 47,724 17,725 13,726 3,727 3,729 3,730 4,741 13,742 4,753 1,754 1,757 20,758 8,759 4,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 3,810 25,811 2,816 1,818 2,821 1,829 4.4,834 2,836 13.5,837 8.967,838 5.583,839 2.25,840 3.324,841 1.465,842 0.977,843 4.992,844 10.47,845 3.597,846 4.248,847 4.854,848 5.469,849 6.052,850 6.319,851 6.621,852 6.944,853 7.312,854 7.42,855 0.857,856 40,857 9.13,859 3.739,860 7.773,861 17.178,863 13.39,865 2.273,866 56.833,870 188.338,871 104.165,872 119.275,874 22,877 104.165,878 210.337,879 119.275,880 30.162,881 2.106,882 103.699,883 62.128,884 54.889,885 4.227,886 176.567,888 188.338,889 223.44,890 22,893 190.053,894 22,897 13.052,898 158.316,899 50.357,901 188.338,902 141.275,903 104.165,906 188.338,907 27.05,908 80.239,910 138.151,911 188.338,912 141.275,913 104.165,915 0.581,916 0.344,917 0.186,918 0.106,919 18,920 9,921 0.106,922 5,923 1,924 1.125,925 3.62,926 203.98,927 0.125,928 16,929 108.096,933 17.359,934 7.19,935 3.794,936 1.145,937 141.275,938 9.39,939 12.405,943 3.838,945 65.794,946 433.778,947 35.5,956 45.451,957 51.315,958 0.298,959 0.683,960 0.813,961 0.853,962 0.853,963 0.853,964 4.83,965 1.232,966 5.72,967 5.775,968 4.344,969 4.934,970 1.698,971 6.526,972 4.222,973 6.06,974 1.001,975 7.28,976 3.316,977 4.007,978 4.856,979 0.325,980 7.38,981 3.839,982 7.381,983 0.481,984 8.93,985 2.565,986 5.943,987 7.207,988 1.422,989 10.45,990 5.725,991 8.735,992 0.396,993 10.63,994 0.683,995 6.347,996 7.888,997 0.393,998 12.063,999 6.082,1000 10.115,1001 0.022,1002 12.361,1003 0.602,1004 7.79,1005 9.758,1006 1.2,1007 14.665,1008 7.489,1009 11.514,1010 -0.24,1011 14.114,1012 0.059,1013 8.55,1014 10.826,1015 0.384,1016 16.637,1017 8.204,1018 12.928,1019 -0.449,1020 15.884,1021 -0.643,1022 9.791,1023 12.486,1024 1.01,1025 19.057,1026 9.411,1027 3.102,1028 -0.694,1029 17.667,1030 -1.158,1031 10.728,1032 13.762,1033 0.351,1034 21.206,1035 10.304,1036 2.855,1037 10.238,1038 19.461,1039 -1.599,1040 11.885,1041 15.325,1042 0.845,1043 23.554,1044 11.426,1045 2.643,1046 8.68,1047 21.264,1048 4.495,1049 12.91,1050 16.709,1051 0.312,1052 25.787,1053 12.408,1054 2.139,1055 8.089,1056 23.076,1057 3.844,1058 14.033,1059 18.23,1060 0.702,1061 28.11,1062 13.495,1063 2.061,1064 6.073,1065 24.895,1066 3.332,1067 15.101,1068 19.669,1069 0.273,1070 30.384,1071 14.52,1072 2.013,1073 5.818,1074 26.72,1075 2.811,1076 16.213,1077 21.173,1078 0.579,1079 32.7,1080 15.594,1081 1.951,1082 5.805,1083 28.551,1084 2.808,1085 17.303,1086 22.641,1087 0.236,1088 34.995,1089 16.641,1090 6751,1091 11671,1092 17.512,1093 29.273,1094 39.925,1095 40.715,1096 41.763,1097 39.68,1098 39.795,1099 52.775,1100 5.618,1101 115.403,1102 37.207,1103 5.383,1104 5.218,1105 6.073,1106 5.134,1107 5.102,1108 7.495,1109 1.776,1110 17.132,1111 4.969,1112 14.295,1113 1.479,1114 1.508,1115 1.547,1116 1.47,1117 1.474,1118 1.955,1119 0.208,1120 4.274,1121 1.378,1122 4.059,1123 4.102,1124 4.034,1125 3.932,1126 5.324,1127 3.951,1128 3.924,1129 3.945,1130 3.877,1131 3.833,1132 4.982,1133 3.841,1134 3.566,1135 3.637,1136 3.495,1137 3.348,1138 4.922,1139 3.376,1140 3.303,1141 3.371,1142 3.174,1143 3.068,1144 4.815,1145 3.084,1146 3.293,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.154,1153 3.248,1154 3.003,1155 2.891,1156 4.312,1157 2.885,1158 3.108,1159 3.223,1160 2.936,1161 2.811,1162 4.158,1163 2.848,1164 2.903,1165 3.001,1166 2.666,1167 2.723,1168 4.013,1169 2.694,1170 0.169,1171 0.119,1172 0.241,1173 0.15,1174 0.115,1175 4.55,1176 0.166,1177 3.218,1178 0.034,1179 6.52,1180 0.379,1181 4.058,1182 0.11,1183 3.102,1184 4.495,1185 0.916,1186 10.238,1187 2.969,1188 1.974,1189 1.94,1190 2.041,1191 2.125,1192 1.195,1193 2.099,1194 1.888,1195 1.868,1196 1.97,1197 2.003,1198 1.066,1199 1.996,1200 1.486,1201 1.418,1202 1.692,1203 1.741,1204 0.779,1205 1.728,1206 1.23,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.161,1214 1.545,1215 1.506,1216 0.571,1217 1.509,1218 1.133,1219 1.035,1220 1.432,1221 1.429,1222 0.468,1223 1.456,1224 0.997,1225 0.898,1226 1.309,1227 1.376,1228 0.333,1229 1.356,1230 0.946,1231 0.853,1232 1.266,1233 1.176,1234 0.09,1235 1.229,1236 4.007,1238 5.333,1240 6.855,1242 8.471,1244 10.136,1246 5.219,1250 11.535,1252 0.635,1254 10.627,1257 2.038,1262 28.246,1263 73.698,1264 168.715,1265 200.869,1266 210.869,1267 210.869,1268 210.869,1269 34.596,1270 7.145,1271 112.41,1272 112.41,1273 18,1274 12.394,1275 4.17,1276 3.248,1277 41.825,1278 92,1279 83,1280 0.225,1281 176.999,1282 295.34,1283 423.638,1284 11555,1286 17.974,1287 0.719,1288 0.574,1289 17.974,1290 14.354,1291 11.995,1292 0.444,1293 0.282,1294 7.435,1295 11.31,1296 7.156,1297 6.024,1298 11.995,1299 7.617,1300 10.886,1301 0.286,1302 0.148,1303 10.886,1304 5.609,1305 8.963,1306 0.183,1307 0.079,1308 8.963,1309 3.855,1310 7.511,1311 0.117,1312 0.04,1313 7.511,1314 2.573,1315 6.042,1316 0.075,1317 0.021,1318 6.042,1319 1.725,1320 0.352,1321 76.707,1322 0.239,1323 24.185,1324 0.619,1325 130,1326 410.676,1327 145.998,1328 394.683,1329 542.06,1330 370,1331 152,1332 403.344,1333 167.668,1334 413.307,1335 596.37,1336 382,1337 7.143}
{0 CHEMBL36310,1 1.597,2 13.148,3 2.954,4 8.727,5 104.388,6 7.066,7 0.429,8 4.049,9 4.175,10 3.534,11 3.484,12 5.209,13 3.477,14 4.561,15 4.742,16 3.828,17 3.832,18 5.737,19 3.786,20 4.789,21 5.004,22 3.844,23 3.955,24 5.801,25 3.885,26 4.85,27 5.081,28 3.766,29 3.968,30 5.849,31 3.867,32 4.858,33 5.106,34 3.736,35 3.955,36 5.805,37 3.839,38 4.819,39 5.07,40 3.768,41 3.876,42 5.817,43 3.784,44 4.739,45 4.964,46 3.692,47 3.789,48 5.795,49 3.711,50 4.666,51 4.906,52 3.507,53 3.724,54 5.742,55 3.609,56 0.097,57 0.742,58 11.877,59 4.592,60 16.919,61 6.315,62 0.407,63 1.087,64 21.413,65 7.836,66 56.513,67 10.723,68 0.423,69 1.262,70 27.785,71 8.905,72 55.393,73 12.997,74 0.523,75 1.294,76 29.96,77 9.554,78 66.945,79 13.914,80 0.527,81 1.274,82 30.41,83 9.751,84 61.977,85 14.57,86 0.55,87 1.195,88 29.55,89 8.911,90 64.258,91 13.506,92 0.62,93 1.095,94 27.413,95 7.891,96 63.415,97 11.701,98 0.667,99 1.043,100 25.42,101 7.202,102 74.495,103 11.097,104 37,105 36,106 0.269,107 0.621,108 0.802,109 0.874,110 0.893,111 0.893,112 3.339,113 0.951,114 -3.69,115 -3.66,116 -3.48,119 35.8,121 6,124 1,125 1,139 3,140 2,141 2,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 8,167 1,169 1,170 8,172 3,173 4,175 2,178 7,179 1,180 1,182 9,187 2,189 6,190 1,191 1,193 6,195 1,196 1,197 1,198 3,200 2,201 5,202 1,204 2,205 1,206 1,207 5,212 3,215 5,216 1,218 2,220 2,221 4,223 1,224 1,226 3,229 5,231 2,233 2,234 3,235 1,236 1,237 1,239 2,241 6,243 2,245 1,246 1,248 1,249 2,251 1,254 6,256 1,260 3,262 1,263 1,265 2,268 4,269 2,270 2,273 1332,274 17.991,275 17.991,276 17.991,277 17.991,278 17.991,279 16.231,280 23.131,281 11.042,282 18.486,283 13.776,284 13.776,285 13.776,286 13.776,287 13.776,288 11.102,289 28.299,290 5.235,291 14.475,292 4.131,293 2.042,294 0.972,295 0.543,296 0.429,297 0.429,298 4.006,300 1,301 1,302 1,303 721,304 3.873,307 199.457,314 2.08,315 31.451,317 1,318 1,319 0.83,320 0.83,321 1,322 1,323 0.83,324 0.5,325 0.86,326 60,327 355,328 4.331,329 3.596,330 6.251,331 3.951,332 2.98,333 3.975,334 2.341,335 9.444,336 2.894,337 4.161,338 3.264,339 5.984,340 3.715,341 2.765,342 3.813,343 0.86,344 8.479,345 2.627,346 3.571,347 2.951,348 5.253,349 3.243,350 2.284,351 2.883,352 0.86,353 6.647,354 2.223,355 3.55,356 2.732,357 4.963,358 3.2,359 2.234,360 2.746,361 0.68,362 5.821,363 2.09,364 3.44,365 2.324,366 4.659,367 3.023,368 2.101,369 2.71,371 5.184,372 1.93,373 2.928,374 1.96,375 4.42,376 2.744,377 1.752,378 2.074,380 4.275,381 1.733,382 2.801,383 1.854,384 4.075,385 2.544,386 1.595,387 1.889,389 3.577,390 1.509,391 2.773,392 1.57,393 3.801,394 2.294,395 1.347,396 1.801,398 3.487,399 1.271,400 2.333,401 1.468,402 3.361,403 2.219,404 1.25,405 1.314,407 2.568,408 1.2,409 1.912,410 1.132,411 3.119,412 1.663,413 0.746,414 0.837,415 1.484,416 0.675,417 1.668,418 0.97,419 2.902,420 1.472,421 0.532,422 0.582,423 1.104,424 0.494,425 1.527,426 0.615,427 2.682,428 1.243,429 0.32,430 0.374,431 0.652,432 0.294,433 1.077,434 0.543,435 2.364,436 0.889,437 -0.057,438 -0.062,439 -0.114,440 -0.054,441 0.938,442 0.216,443 2.358,444 0.623,445 -0.32,446 -0.379,448 -0.669,449 -0.299,450 0.795,451 0.032,452 2.222,453 0.396,454 -0.514,455 -0.621,457 -1.242,458 -0.466,459 12.433,460 0.46,461 0.596,462 0.022,463 32.5,464 1.204,465 15.5,466 0.574,467 17,468 0.63,469 22.753,470 0.843,471 31.367,472 0.592,473 24.195,474 0.896,475 6.388,476 0.237,477 6.602,478 0.245,479 0.158,481 0.282,485 0.944,486 1.363,487 0.888,488 1.212,489 0.895,490 1.052,491 0.802,492 1.036,493 0.881,494 1.118,495 0.451,496 1.042,497 1.086,498 1.127,499 1.007,500 1.072,501 0.925,502 1.034,503 1.043,504 0.99,505 1.096,506 1.075,507 0.867,508 1.097,509 0.815,510 1.045,511 0.958,512 1.064,513 0.777,514 1.048,515 0.844,516 0.995,517 0.858,518 0.981,519 0.759,520 0.936,521 1.224,522 1.062,523 1.07,524 1.017,525 0.914,526 1.029,527 0.95,528 0.996,529 1.179,530 1.04,531 0.931,532 1.131,533 5.5,534 0.107,535 2.444,536 1.25,537 1.307,538 0.667,539 0.508,540 0.366,541 0.222,542 0.167,543 9104,544 28433,545 1.954,546 49.1,547 8,548 8,550 1,551 5,552 2,553 2,555 1.697,556 1.82,557 3.64,558 2.547,559 1,560 1,564 84.658,565 1.597,566 3.686,567 4.756,568 5.185,569 5.299,570 5.299,571 3.134,572 4.533,573 4.717,574 3.851,575 1351.85,576 8.175,577 18688.2,579 1,581 1,582 303.58,583 1.427,584 4.677,585 0.196,586 0.006,587 0.068,588 0.035,589 0.041,590 0.022,591 0.016,592 0.013,593 0.01,594 0.008,595 0.414,596 0.17,597 0.88,598 2.138,599 137.867,600 -0.115,601 -0.044,602 0.006,603 -0.01,604 -0.117,605 0.025,606 0.123,607 0.098,608 0.056,609 -0.006,610 0.244,612 -0.137,613 -0.082,614 -0.05,615 -0.023,616 -0.097,617 -0.019,618 -0.118,619 0.028,620 -0.136,621 -0.052,622 -0.09,623 -0.094,624 0.012,625 -0.073,626 -0.008,627 -0.038,628 -0.05,629 -0.028,630 0.069,631 -0.039,632 0.115,633 0.01,634 0.015,635 0.06,636 -0.063,637 -0.095,638 -0.067,639 -0.033,640 -0.061,641 -0.058,642 0.036,643 0.012,644 -0.199,645 -0.07,646 -0.04,647 -0.163,648 2.413,649 3.469,650 0.444,651 32.593,652 1.008,653 1.14,654 2.464,655 6.07,656 0.627,657 3.367,658 3.611,659 3.761,660 3.932,661 4.127,662 4.143,663 4.143,664 4.19,665 4.248,666 4.205,667 7.648,668 0.599,669 374.49,670 3.367,671 4.86,672 5.652,673 6.485,674 7.302,675 8.143,676 8.973,677 9.821,678 10.66,679 11.511,680 7.5,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 2,718 53,719 13,720 1,721 28,723 54,724 19,725 10,726 3,727 3,729 2,730 2,739 6,741 11,742 8,744 1,748 1,751 1,753 1,754 1,757 26,758 8,759 5,760 8,764 4,769 1,770 4,776 1,781 2,792 1,800 1,802 2,806 1,810 27,811 2,815 1,816 7,818 2,829 7.5,831 1,832 1,834 2,836 14.833,837 9.35,838 6.222,839 3.086,840 2.312,841 1.34,842 0.915,843 8.457,844 9.119,845 3.584,846 4.094,847 4.527,848 5.006,849 5.521,850 5.619,851 5.786,852 6.12,853 6.451,854 6.652,855 0.889,856 36,857 9.925,859 4.002,860 7.951,861 18.683,863 14.445,865 2.451,866 66.167,869 1,870 247.193,871 90.154,872 99.365,874 89.828,877 90.154,878 337.021,879 99.365,880 10.883,881 19.8,882 94.223,883 114.08,884 47.905,885 4.227,886 235.422,888 247.193,889 189.519,890 89.828,893 223.651,894 113.37,897 30.746,898 125.202,899 33.571,901 247.193,902 189.193,903 90.154,906 247.193,907 41.794,908 48.359,910 189.193,911 247.193,912 189.193,913 90.154,915 0.56,916 0.304,917 0.154,918 0.084,919 13,920 7,921 0.204,922 11,924 1,925 3.96,926 202.014,928 12,929 128.382,933 21.096,934 10.824,935 7.136,937 189.193,938 7.238,939 7.967,943 3.633,945 108.478,946 526.54,947 35,951 10.469,954 -0.746,956 53.436,957 60.398,958 0.279,959 0.643,960 0.83,961 0.905,962 0.925,963 0.925,964 4.779,965 1.347,966 5.602,967 3.577,968 4.29,969 4.779,970 2.599,971 6.312,972 4.199,973 5.947,974 1.25,975 7.101,976 3.487,977 3.761,978 4.543,979 2.243,980 7.034,981 3.627,982 7.222,983 0.746,984 8.698,985 2.568,986 5.784,987 6.875,988 3.696,989 10.072,990 5.614,991 8.53,992 0.532,993 10.354,994 1.484,995 6.043,996 7.416,997 4.112,998 11.622,999 5.827,1000 9.87,1001 0.32,1002 12.048,1003 1.104,1004 7.535,1005 9.262,1006 5.211,1007 14.172,1008 7.295,1009 11.23,1010 -0.057,1011 13.769,1012 0.652,1013 8.188,1014 10.174,1015 5.889,1016 16.083,1017 7.905,1018 12.607,1019 -0.32,1020 15.51,1021 -0.114,1022 9.447,1023 11.805,1024 6.85,1025 18.447,1026 9.141,1027 2.98,1028 -0.514,1029 17.267,1030 -0.669,1031 10.306,1032 12.914,1033 7.625,1034 20.524,1035 9.961,1036 2.765,1037 9.444,1038 19.035,1039 -1.242,1040 11.458,1041 14.431,1042 8.526,1043 22.809,1044 11.09,1045 2.284,1046 8.479,1047 20.813,1048 3.975,1049 12.424,1050 15.649,1051 9.342,1052 24.965,1053 12.02,1054 2.234,1055 6.647,1056 22.599,1057 3.813,1058 13.529,1059 17.104,1060 10.216,1061 27.217,1062 13.1,1063 2.101,1064 5.821,1065 24.391,1066 2.883,1067 14.549,1068 18.385,1069 11.051,1070 29.41,1071 14.088,1072 1.752,1073 5.184,1074 26.187,1075 2.746,1076 15.635,1077 19.803,1078 11.912,1079 31.649,1080 15.147,1081 1.595,1082 4.275,1083 27.988,1084 2.71,1085 16.682,1086 21.12,1087 12.755,1088 33.863,1089 16.164,1090 9286,1091 16513,1092 18.087,1093 33.216,1094 39.991,1095 41.101,1096 41.226,1097 39.82,1098 39.813,1099 49.997,1100 9.482,1101 105.445,1102 37.878,1103 5.267,1104 5.596,1105 6.116,1106 5.02,1107 4.98,1108 6.975,1109 3.925,1110 15.9,1111 4.894,1112 15.864,1113 1.428,1114 1.468,1115 1.472,1116 1.422,1117 1.422,1118 1.786,1119 0.339,1120 3.766,1121 1.353,1122 3.988,1123 4.018,1124 3.94,1125 3.895,1126 7.474,1127 3.901,1128 3.81,1129 3.858,1130 3.768,1131 3.65,1132 6.351,1133 3.671,1134 3.761,1135 3.812,1136 3.625,1137 3.627,1138 5.291,1139 3.617,1140 3.538,1141 3.578,1142 3.413,1143 3.342,1144 4.98,1145 3.347,1146 3.28,1147 3.325,1148 3.152,1149 3.03,1150 4.898,1151 3.05,1152 3.217,1153 3.3,1154 3.074,1155 2.972,1156 4.574,1157 2.987,1158 3.155,1159 3.219,1160 2.973,1161 2.903,1162 4.447,1163 2.91,1164 3.001,1165 3.123,1166 2.842,1167 2.695,1168 4.174,1169 2.714,1170 0.155,1171 0.128,1172 0.223,1173 0.141,1174 0.106,1175 4.331,1176 0.142,1177 3.596,1178 0.084,1179 6.251,1180 0.337,1181 3.951,1182 0.103,1183 2.98,1184 3.975,1185 2.341,1186 9.444,1187 2.894,1188 1.932,1189 1.912,1190 2.036,1191 2.05,1192 1.364,1193 2.042,1194 1.769,1195 1.715,1196 2.001,1197 1.947,1198 1.208,1199 1.963,1200 1.724,1201 1.68,1202 1.821,1203 1.902,1204 1.057,1205 1.886,1206 1.497,1207 1.447,1208 1.753,1209 1.723,1210 0.865,1211 1.729,1212 1.203,1213 1.146,1214 1.568,1215 1.518,1216 0.642,1217 1.531,1218 1.165,1219 1.089,1220 1.427,1221 1.445,1222 0.571,1223 1.44,1224 1.102,1225 1.04,1226 1.39,1227 1.394,1228 0.401,1229 1.393,1230 0.908,1231 0.798,1232 1.235,1233 1.292,1234 0.247,1235 1.293,1236 4.043,1238 5.303,1240 6.744,1242 8.278,1244 9.866,1246 1.61,1250 11.454,1251 8.613,1252 4.705,1254 11.222,1262 31.74,1263 84.658,1264 195.338,1265 252.07,1266 274.825,1267 280.825,1268 280.825,1269 64.49,1270 6.808,1271 133.58,1272 133.58,1273 12,1274 12.071,1275 3.807,1276 3,1277 58.746,1278 120,1279 139,1280 0.232,1281 200.909,1282 351.42,1283 481.977,1284 8026,1286 19.648,1287 0.728,1288 0.573,1289 19.648,1290 15.48,1291 12.99,1292 0.464,1293 0.317,1294 8.722,1295 12.345,1296 8.528,1297 7.122,1298 12.99,1299 8.877,1300 11.238,1301 0.312,1302 0.172,1303 11.238,1304 6.196,1305 8.381,1306 0.2,1307 0.098,1308 8.381,1309 4.103,1310 6.495,1311 0.13,1312 0.054,1313 6.495,1314 2.68,1315 5.004,1316 0.082,1317 0.028,1318 5.004,1319 1.733,1320 0.376,1321 82.56,1322 0.235,1323 26.733,1324 0.601,1325 128,1326 431.271,1327 144.9,1328 406.889,1329 536.62,1330 378,1331 142,1332 377.638,1333 156.299,1334 379.684,1335 542.17,1336 354,1337 4.921}
{0 CHEMBL366869,1 1.656,2 13.912,3 2.287,4 5.23,5 127.622,6 7.857,7 0.486,8 4.193,9 4.303,10 3.791,11 3.669,12 5.396,13 3.686,14 4.706,15 4.862,16 4.147,17 4.04,18 5.88,19 4.042,20 4.885,21 5.039,22 4.271,23 4.175,24 6.089,25 4.171,26 5.015,27 5.193,28 4.218,29 4.185,30 6.29,31 4.157,32 5.033,33 5.218,34 4.074,35 4.154,36 6.146,37 4.107,38 5.01,39 5.203,40 3.995,41 4.12,42 6.105,43 4.045,44 5.024,45 5.283,46 3.993,47 4.071,48 5.99,49 3.971,50 4.918,51 5.153,52 4,53 3.979,54 5.971,55 3.928,56 0.137,57 0.871,58 11.171,59 5.014,60 17.152,61 6.139,62 0.562,63 1.323,64 22.211,65 8.483,66 42.193,67 10.5,68 0.603,69 1.536,70 26.241,71 9.951,72 46.989,73 12.592,74 0.891,75 1.635,76 32.092,77 11.038,78 110.321,79 14.024,80 0.888,81 1.571,82 34.35,83 11.41,84 95.761,85 14.071,86 0.929,87 1.553,88 33.358,89 11.292,90 97.583,91 14.558,92 0.897,93 1.521,94 37.11,95 12.213,96 73.08,97 17.753,98 0.694,99 1.403,100 32.172,101 10.22,102 62.609,103 14.356,104 41,105 52,106 0.268,107 0.622,108 0.772,109 0.809,110 0.809,111 0.809,112 3.56,113 0.861,114 -3.02,115 -3.02,116 -2.91,119 40.7,121 2,124 2,125 2,139 6,140 4,141 3,142 1,144 1,147 1,153 2,157 2,158 2,159 2,166 10,169 3,170 10,172 3,173 3,175 1,178 10,180 1,181 2,182 12,187 1,189 5,191 1,192 3,193 15,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,207 11,212 3,215 4,218 3,220 2,221 3,226 1,229 3,231 1,233 6,234 4,236 2,237 2,239 2,241 1,243 2,245 2,246 3,248 1,249 1,254 1,259 4,260 9,262 2,263 2,268 4,273 2214,274 23.016,275 23.016,276 23.016,277 23.016,278 23.016,279 20.577,280 31.174,281 13.397,282 23.727,283 18.093,284 18.093,285 18.093,286 18.093,287 18.093,288 14.182,289 40.676,290 6.139,291 19.016,292 4.226,293 2.033,294 1.102,295 0.873,296 0.873,297 0.873,298 4.253,301 1,302 1,303 1019,304 3.606,306 85.243,307 359.487,310 164.646,314 2.393,315 45.938,318 1,319 0.67,320 0.83,321 0.8,322 0.5,323 0.83,324 0.5,325 0.73,326 75.5,327 473,328 4.585,329 3.952,330 6.964,331 4.291,332 3.301,333 4.146,334 1.349,335 11.689,336 3.262,337 4.431,338 3.395,339 6.53,340 4.027,341 3.077,342 4.114,343 0.86,344 10.305,345 2.928,346 4.229,347 3.256,348 6.088,349 3.81,350 2.857,351 3.875,352 0.86,353 8.844,354 2.721,355 3.603,356 3.079,357 5.685,358 3.24,359 2.287,360 2.936,361 0.86,362 7.258,363 2.175,364 3.539,365 2.555,366 5.491,367 3.202,368 2.239,369 2.812,370 0.8,371 6.733,372 2.15,373 3.441,374 2.551,375 5.284,376 3.066,377 2.061,378 2.665,379 0.68,380 6.426,381 2.093,382 3.365,383 2.436,384 5.19,385 2.972,386 2.026,387 2.65,389 6.118,390 1.871,391 3.355,392 2.235,393 4.922,394 2.943,395 2.005,396 2.604,398 5.656,399 1.867,400 2.847,401 2.096,402 4.155,403 2.572,404 1.618,405 1.959,407 3.717,408 1.542,409 2.822,410 1.876,411 3.947,412 2.358,413 1.418,414 1.947,415 3.454,416 1.329,417 2.607,418 1.549,419 3.726,420 2.309,421 1.351,422 1.604,423 3.008,424 1.288,425 2.48,426 1.355,427 3.618,428 1.942,429 0.988,430 1.387,431 2.27,432 0.934,433 2.148,434 1.349,435 3.528,436 1.887,437 0.914,438 1.074,439 2.21,440 0.874,441 1.765,442 1.261,443 3.103,444 1.435,445 0.503,446 0.572,448 1.012,449 0.455,450 1.618,451 0.916,452 2.978,453 1.33,454 0.396,455 0.461,457 0.881,458 0.363,459 15.667,460 0.461,461 0.836,462 0.025,463 46.25,464 1.36,465 23.5,466 0.691,467 22.75,468 0.669,469 27.726,470 0.815,471 37.133,472 0.629,473 39.148,474 1.151,475 9.474,476 0.279,477 6.948,478 0.204,479 0.157,481 0.377,485 0.862,486 1.334,487 0.75,488 1.13,489 0.735,490 0.939,491 0.992,492 0.85,493 0.793,494 0.842,495 0.648,496 0.792,497 0.964,498 1.187,499 0.879,500 1.122,501 0.898,502 1,503 1.138,504 1.035,505 1.102,506 1.127,507 1.199,508 1.108,509 1.565,510 1.012,511 1.283,512 1.065,513 1.357,514 1.116,515 1.238,516 1.123,517 1.282,518 1.193,519 1.023,520 1.25,521 0.557,522 0.878,523 0.744,524 0.938,525 0.338,526 0.909,527 0.903,528 1.034,529 0.809,530 0.986,531 0.604,532 0.901,533 6.5,534 0.199,535 4.222,536 3.799,537 2.08,538 1.014,539 0.678,540 0.514,541 0.476,542 0.478,543 17884,544 53933,545 2.042,546 42.4,547 2,548 16,550 1,551 4,554 2,555 1.758,556 1.889,557 3.693,558 1.575,560 1,564 97.721,565 1.656,566 3.849,567 4.781,568 5.01,569 5.01,570 5.01,571 3.16,572 4.558,573 5.061,574 3.941,575 2211.05,576 8.859,577 34959.2,582 347.076,583 1.484,584 5.006,585 0.176,586 0.006,587 0.081,588 0.067,589 0.041,590 0.023,591 0.017,592 0.013,593 0.012,594 0.012,595 0.446,596 0.17,597 0.75,598 0.832,599 184.574,600 -0.096,601 -0.123,602 0.036,603 -0.058,604 -0.104,605 0.014,606 0.003,607 0.239,608 0.11,609 0.181,610 0.04,611 0.163,612 0.022,613 -0.119,614 0.024,615 -0.093,616 -0.01,617 -0.036,618 -0.021,619 -0.019,620 -0.14,621 -0.138,622 0.018,623 -0.158,624 -0.318,625 -0.068,626 -0.283,627 -0.07,628 -0.239,629 -0.155,630 -0.122,631 -0.171,632 -0.296,633 -0.194,634 -0.126,635 -0.273,636 0.279,637 -0.001,638 0.289,639 0.061,640 0.188,641 0.146,642 0.064,643 -0.118,644 0.215,645 -0.006,646 0.086,647 0.112,648 1.953,649 5.502,650 0.618,651 38.412,652 1.017,653 1.13,654 1.79,655 3.203,656 0.66,657 3.638,658 3.97,659 4.277,660 4.543,661 4.727,662 4.71,663 4.779,664 4.852,665 4.898,666 4.949,667 8.214,668 0.643,669 463.54,670 3.638,671 5.187,672 6.052,673 6.94,674 7.821,675 8.713,676 9.6,677 10.493,678 11.383,679 12.277,680 8.5,684 2,687 1,690 2,695 7,696 2,700 9,702 18,711 2,716 3,718 59,719 20,720 2,721 37,723 62,724 24,725 16,726 6,727 6,728 2,729 4,730 5,739 2,741 18,742 6,744 2,748 2,751 2,754 1,757 25,758 10,759 4,760 10,764 5,767 1,769 0.75,770 5,776 1,780 1,781 3,784 1,802 3,806 2,810 34,811 2,816 4,818 3,821 1,829 8.5,832 2,834 3,836 18,837 11.183,838 7.639,839 3.25,840 3.274,841 1.412,842 0.976,843 7.196,844 11.215,845 3.892,846 4.483,847 5.064,848 5.602,849 6.082,850 6.177,851 6.418,852 6.669,853 6.947,854 7.128,855 1,856 57,857 12.576,859 5.373,860 7.936,861 23.372,863 18.75,865 2.436,866 82.833,870 247.193,871 141.547,872 102.49,874 83.29,877 141.547,878 330.483,879 102.49,880 21.766,881 14.891,882 122.652,883 105.041,884 70.52,885 4.227,886 235.422,888 247.193,889 244.037,890 83.29,893 223.651,894 106.832,897 25.838,898 184.628,899 33.571,901 247.193,902 185.779,903 141.547,906 247.193,907 53.876,908 90.795,910 182.655,911 247.193,912 185.779,913 141.547,915 0.579,916 0.359,917 0.201,918 0.107,919 24,920 12,921 0.145,922 9,923 1,924 1.095,925 4.444,926 312.129,927 0.095,928 21,929 152.974,933 23.796,934 10.282,935 4.959,937 185.779,938 12.026,939 7.977,943 4.229,945 65.794,946 574.519,947 48,951 25.004,954 -0.572,956 59.982,957 66.691,958 0.282,959 0.654,960 0.813,961 0.852,962 0.852,963 0.852,964 5.139,965 2.005,966 6.047,967 6.118,968 4.654,969 5.17,970 2.413,971 6.891,972 4.57,973 6.349,974 1.618,975 7.631,976 5.656,977 4.29,978 5.027,979 0.325,980 7.863,981 4.189,982 7.665,983 1.418,984 9.316,985 3.717,986 6.279,987 7.355,988 2.426,989 10.99,990 6.131,991 9.019,992 1.351,993 11.061,994 3.454,995 6.746,996 8.009,997 0.931,998 12.803,999 6.583,1000 10.405,1001 0.988,1002 12.843,1003 3.008,1004 8.209,1005 9.832,1006 2.612,1007 15.461,1008 8.014,1009 11.815,1010 0.914,1011 14.653,1012 2.27,1013 9.062,1014 10.859,1015 1.621,1016 17.631,1017 8.852,1018 13.243,1019 0.503,1020 16.482,1021 2.21,1022 10.329,1023 12.471,1024 2.943,1025 20.135,1026 10.095,1027 3.301,1028 0.396,1029 18.326,1030 1.012,1031 11.358,1032 13.683,1033 2.316,1034 22.459,1035 11.11,1036 3.077,1037 11.689,1038 20.183,1039 0.881,1040 12.553,1041 15.196,1042 3.374,1043 24.913,1044 12.287,1045 2.857,1046 10.305,1047 22.051,1048 4.146,1049 13.66,1050 16.502,1051 2.996,1052 27.302,1053 13.381,1054 2.287,1055 8.844,1056 23.927,1057 4.114,1058 14.832,1059 17.966,1060 3.867,1061 29.742,1062 14.539,1063 2.239,1064 7.258,1065 25.811,1066 3.875,1067 15.973,1068 19.32,1069 3.659,1070 32.161,1071 15.669,1072 2.061,1073 6.733,1074 27.701,1075 2.936,1076 17.141,1077 20.759,1078 4.396,1079 34.6,1080 16.825,1081 2.026,1082 6.426,1083 29.596,1084 2.812,1085 18.298,1086 22.139,1087 4.307,1088 37.033,1089 17.972,1090 17026,1091 29722,1092 24.274,1093 38.915,1094 55.307,1095 58.216,1096 58.191,1097 54.796,1098 54.884,1099 70.55,1100 10.818,1101 160.423,1102 52.414,1103 5.541,1104 5.952,1105 6.643,1106 5.369,1107 5.301,1108 7.146,1109 2.549,1110 18.826,1111 5.262,1112 19.441,1113 1.495,1114 1.573,1115 1.573,1116 1.481,1117 1.483,1118 1.907,1119 0.292,1120 4.336,1121 1.417,1122 4.034,1123 4.056,1124 3.997,1125 3.937,1126 7.447,1127 3.946,1128 3.975,1129 3.998,1130 3.937,1131 3.884,1132 7.408,1133 3.892,1134 3.815,1135 3.854,1136 3.783,1137 3.648,1138 5.291,1139 3.675,1140 3.612,1141 3.671,1142 3.485,1143 3.453,1144 4.982,1145 3.451,1146 3.352,1147 3.39,1148 3.259,1149 3.148,1150 4.957,1151 3.171,1152 3.303,1153 3.355,1154 3.144,1155 3.038,1156 4.687,1157 3.054,1158 3.267,1159 3.333,1160 3.131,1161 3.006,1162 4.58,1163 3.026,1164 3.104,1165 3.21,1166 2.973,1167 2.843,1168 4.457,1169 2.858,1170 0.124,1171 0.107,1172 0.188,1173 0.116,1174 0.089,1175 4.585,1176 0.112,1177 3.952,1178 0.036,1179 6.964,1180 0.316,1181 4.291,1182 0.088,1183 3.301,1184 4.146,1185 1.349,1186 11.689,1187 3.262,1188 1.929,1189 1.912,1190 2.017,1191 2.051,1192 1.221,1193 2.039,1194 1.887,1195 1.868,1196 1.986,1197 1.959,1198 1.183,1199 1.968,1200 1.733,1201 1.694,1202 1.882,1203 1.934,1204 1.085,1205 1.908,1206 1.633,1207 1.576,1208 1.795,1209 1.847,1210 0.863,1211 1.842,1212 1.265,1213 1.234,1214 1.59,1215 1.558,1216 0.584,1217 1.565,1218 1.227,1219 1.163,1220 1.552,1221 1.54,1222 0.567,1223 1.523,1224 1.205,1225 1.14,1226 1.415,1227 1.502,1228 0.56,1229 1.495,1230 1.06,1231 0.994,1232 1.333,1233 1.378,1234 0.359,1235 1.375,1236 4.317,1238 5.645,1239 2.398,1240 7.174,1241 4.949,1242 8.796,1243 7.195,1244 10.468,1246 3.065,1250 11.519,1252 1.376,1254 16.97,1257 1.241,1262 37.949,1263 97.721,1264 227.102,1265 282.056,1266 295.566,1267 295.566,1268 295.566,1269 77.587,1270 7.94,1271 144.58,1272 144.58,1273 23,1274 12.804,1275 4.392,1276 3.585,1277 57.13,1278 167,1279 164,1280 0.162,1281 233.164,1282 411.53,1283 560.681,1284 34991,1286 24.242,1287 0.713,1288 0.556,1289 24.242,1290 18.907,1291 16.422,1292 0.444,1293 0.287,1294 10.403,1295 15.562,1296 10.147,1297 8.421,1298 16.422,1299 10.623,1300 14.508,1301 0.279,1302 0.147,1303 14.508,1304 7.654,1305 12.678,1306 0.179,1307 0.077,1308 12.678,1309 5.482,1310 10.69,1311 0.115,1312 0.041,1313 10.69,1314 3.808,1315 8.488,1316 0.076,1317 0.023,1318 8.488,1319 2.596,1320 0.26,1321 104.804,1322 0.203,1323 31.848,1324 0.426,1325 178,1326 602.237,1327 200.527,1328 566.846,1329 766.51,1330 530,1331 212,1332 556.311,1333 235.331,1334 561.473,1335 823.86,1336 524,1337 4.161}
{0 CHEMBL366989,1 1.411,2 7.842,3 2.501,4 6.256,5 78.57,6 7.586,7 0.81,8 3.604,9 3.739,10 3.188,11 3.199,12 4.79,13 3.177,14 4.048,15 4.208,16 3.526,17 3.58,18 5.206,19 3.527,20 4.271,21 4.462,22 3.548,23 3.703,24 5.306,25 3.625,26 4.345,27 4.573,28 3.382,29 3.655,30 5.376,31 3.535,32 4.303,33 4.562,34 3.241,35 3.539,36 5.226,37 3.405,38 4.142,39 4.404,40 3.186,41 3.35,42 5.145,43 3.248,44 3.986,45 4.248,46 3.049,47 3.147,48 5.072,49 3.062,50 3.743,51 4.019,52 2.587,53 2.825,54 4.812,55 2.707,56 0.043,57 0.512,58 6.406,59 2.59,60 9.392,61 3.465,62 0.136,63 0.783,64 10.552,65 4.686,66 16.156,67 6.324,68 0.084,69 0.932,70 13.996,71 5.666,72 14.298,73 7.843,74 0.17,75 0.965,76 16.164,77 6.215,78 28.439,79 8.737,80 0.116,81 0.88,82 16.451,83 6.217,84 22.978,85 8.962,86 0.104,87 0.767,88 14.091,89 4.919,90 20.626,91 7.187,92 0.101,93 0.67,94 12.033,95 3.809,96 20.215,97 5.63,98 0.117,99 0.516,100 9.642,101 2.732,102 20.291,103 4.064,104 5,105 29,106 0.259,107 0.584,108 0.709,109 0.818,110 0.871,111 0.893,112 3.011,113 0.868,114 -4.37,115 -4.31,116 -4.06,119 45.5,121 1,139 7,140 4,142 1,144 1,147 1,157 2,158 2,159 2,166 13,169 1,170 2,172 3,173 3,175 1,178 17,180 1,182 2,187 1,189 17,191 1,193 2,195 1,196 1,197 1,198 2,200 2,201 12,204 2,205 1,207 4,212 3,215 6,218 3,221 6,226 4,229 1,231 4,234 6,239 5,243 5,246 2,251 4,256 4,265 3,270 3,273 397,274 12.93,275 12.93,276 12.93,277 12.93,278 12.93,279 10.815,280 11.769,281 7.686,282 13.111,283 10.376,284 10.376,285 10.376,286 10.376,287 10.376,288 7.329,289 16.208,290 3.652,291 10.673,292 3.634,293 1.868,294 1.187,295 0.591,296 0.303,297 0.182,298 3.693,300 1,301 1,302 1,303 323,304 2,307 139.166,311 72.869,314 1.042,315 11.821,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 40,327 149,328 4.506,329 3.217,330 6.522,331 4.058,332 3.061,333 4.434,334 0.68,335 10.267,336 3.053,337 4.218,338 2.916,339 6.058,340 3.778,341 2.818,342 3.877,344 8.717,345 2.708,346 3.556,347 2.372,348 5.205,349 3.147,350 2.191,351 2.942,353 6.319,354 2.103,355 3.368,356 2.092,357 4.929,358 2.926,359 1.966,360 2.698,362 5.621,363 1.871,364 3.118,365 1.618,366 4.227,367 2.618,368 1.618,369 2.427,371 3.858,372 1.618,373 2.835,374 1.572,375 4.068,376 2.37,377 1.432,378 1.968,380 3.608,381 1.34,382 2.765,383 1.274,384 3.592,385 2.267,386 1.268,387 1.896,389 2.825,390 1.265,391 2.357,392 1.003,393 3.348,394 1.907,395 0.913,396 1.296,398 2.132,399 0.907,400 1.623,401 0.538,402 2.945,403 1.29,404 0.336,405 0.418,407 0.798,408 0.319,409 1.126,410 -0.08,411 2.376,412 0.72,413 -0.255,414 -0.336,415 -0.621,416 -0.249,417 0.882,418 -0.314,419 2.358,420 0.393,421 -0.514,422 -0.621,423 -1.242,424 -0.466,425 0.798,426 -0.618,427 2.196,428 0.382,429 -0.618,430 -0.927,431 -1.478,432 -0.618,433 0.615,434 -0.675,435 2,436 0.202,437 -0.784,438 -1.069,439 -1.994,440 -0.771,441 0.32,442 -0.956,443 1.847,444 -0.09,445 -1.07,446 -1.465,448 -2.709,449 -1.04,450 0.032,451 -1.216,452 1.382,453 -0.341,454 -1.299,455 -1.8,457 -3.605,458 -1.247,459 9.1,460 0.479,461 0.435,462 0.023,463 29,464 1.526,465 17,466 0.895,467 12,468 0.632,469 10.713,470 0.564,471 19.1,472 0.579,473 18.202,474 0.958,475 5.806,476 0.306,477 3.431,478 0.181,479 0.088,481 0.33,485 1.16,486 1.004,487 0.821,488 0.804,489 1.321,490 0.777,491 0.388,492 0.813,493 0.796,494 0.95,495 0.444,496 0.927,497 0.94,498 1.096,499 1.017,500 1.089,501 0.815,502 1.067,503 0.916,504 0.943,505 1.174,506 1.136,507 0.948,508 1.177,509 0.821,510 0.976,511 0.985,512 1.038,513 0.888,514 1.033,515 0.976,516 1.081,517 0.875,518 0.956,519 0.922,520 0.913,521 1.281,522 1.229,523 0.952,524 0.992,525 1.06,526 0.943,527 1.784,528 1.085,529 1.294,530 1.003,531 1.664,532 1.074,533 3.5,534 0.012,535 2.222,536 1.125,537 1.009,538 0.382,539 0.285,540 0.214,541 0.139,542 0.046,543 3213,544 8371,545 2.113,546 42.4,547 2,548 7,550 1,551 4,555 1.604,556 2,557 2.974,558 1.935,560 1,562 1,564 46.559,565 1.411,566 3.176,567 3.858,568 4.453,569 4.741,570 4.863,571 2.379,572 4.037,573 4.224,574 3.057,575 522.731,576 7.198,577 5053.11,578 1,579 1,581 1,582 166.465,583 1.324,584 4.189,585 0.167,586 0.012,587 0.077,588 0.039,589 0.044,590 0.019,591 0.015,592 0.013,593 0.015,594 0.011,595 0.413,596 0.33,597 1,598 0.565,599 81.437,600 -0.203,601 0.122,602 0.004,603 0.143,604 -0.307,605 0.107,606 0.418,607 0.243,608 0.055,609 0.032,610 0.26,611 0.006,612 -0.121,613 -0.088,614 -0.127,615 -0.108,616 -0.086,617 -0.117,618 -0.023,619 0.03,620 -0.234,621 -0.16,622 -0.032,623 -0.211,624 -0.022,625 -0.074,626 0.002,627 -0.033,628 -0.046,629 -0.016,630 0.013,631 -0.148,632 0.134,633 0.018,634 0.05,635 0.077,636 -0.06,637 -0.253,638 0.072,639 -0.064,640 0.065,641 0.005,642 -0.361,643 -0.079,644 -0.247,645 -0.113,646 -0.283,647 -0.156,648 1.459,649 1.882,650 0.842,651 11.058,652 0.995,653 1.123,654 3.143,655 9.877,656 0.692,657 3.091,658 3.401,659 3.664,660 3.912,661 4.143,662 4.094,663 4.143,664 4.234,665 4.304,666 4.127,667 4.673,668 0.658,669 250.33,670 3.091,671 4.615,672 5.46,673 6.33,674 7.191,675 8.064,676 8.931,677 9.805,678 10.674,679 11.549,680 12.1,684 2,690 2,694 2,695 8,696 2,700 4,702 17,711 2,718 33,719 17,720 2,721 21,723 35,724 15,725 14,726 3,727 7,729 3,730 4,739 1,741 14,742 1,754 1,757 14,758 4,759 4,760 4,764 4,769 0.667,776 1,781 3,785 1,802 2,810 19,811 2,816 1,836 9.5,837 5.733,838 4.167,839 1.793,840 3.435,841 1.519,842 1.043,843 2.957,844 10.057,845 3.418,846 4.078,847 4.698,848 5.301,849 5.886,850 6.071,851 6.427,852 6.857,853 7.276,854 7.296,855 1,856 29,857 6.946,859 2.915,860 7.684,861 13.276,863 10.828,865 2.184,866 41.5,867 0.001,870 117.711,871 93.66,872 99.365,877 93.66,878 117.711,879 99.365,881 2.535,882 132.128,883 45.342,884 20.564,885 4.227,886 105.94,888 117.711,889 193.025,893 117.711,897 13.481,898 145.973,899 33.571,901 117.711,902 99.365,903 93.66,906 117.711,907 18.279,908 75.381,910 99.365,911 117.711,912 99.365,913 93.66,915 0.579,916 0.339,917 0.186,918 0.103,919 15,920 6,921 0.057,922 2,923 1,924 1.125,925 3.159,926 141.167,927 0.125,928 16,929 78.711,933 11.785,934 4.767,935 2.317,936 2.441,937 99.365,938 16.216,939 7.997,943 2.753,945 65.794,946 310.736,947 29.5,956 32.825,957 37.069,958 0.28,959 0.63,960 0.765,961 0.883,962 0.94,963 0.964,964 4.618,965 0.913,966 5.434,967 2.825,968 4.078,969 4.762,970 0.655,971 6.225,972 4.027,973 5.842,974 0.336,975 6.978,976 2.132,977 3.611,978 4.559,980 7.081,981 3.533,982 7.152,983 -0.255,984 8.624,985 0.798,986 5.645,987 7.045,988 0.356,989 10.18,990 5.558,991 8.501,992 -0.514,993 10.331,994 -0.621,995 5.994,996 7.676,998 11.877,999 5.89,1000 9.881,1001 -0.618,1002 12.076,1003 -1.242,1004 7.498,1005 9.617,1006 0.18,1007 14.48,1008 7.386,1009 11.285,1010 -0.784,1011 13.849,1012 -1.478,1013 8.241,1014 10.667,1016 16.525,1017 8.122,1018 12.706,1019 -1.07,1020 15.641,1021 -1.994,1022 9.515,1023 12.358,1024 0.087,1025 18.949,1026 9.388,1027 3.061,1028 -1.299,1029 17.447,1030 -2.709,1031 10.448,1032 13.622,1034 21.144,1035 10.318,1036 2.818,1037 10.267,1038 19.265,1039 -3.605,1040 11.621,1041 15.196,1042 0.041,1043 23.5,1044 11.486,1045 2.191,1046 8.717,1047 21.091,1048 4.434,1049 12.644,1050 16.567,1052 25.761,1053 12.507,1054 1.966,1055 6.319,1056 22.924,1057 3.877,1058 13.774,1059 18.087,1060 0.019,1061 28.092,1062 13.633,1063 1.618,1064 5.621,1065 24.762,1066 2.942,1067 14.839,1068 19.512,1070 30.384,1071 14.697,1072 1.432,1073 3.858,1074 26.605,1075 2.698,1076 15.952,1077 21.009,1078 0.009,1079 32.707,1080 15.808,1081 1.268,1082 3.608,1083 28.451,1084 2.427,1085 17.038,1086 22.461,1088 35.015,1089 16.893,1090 3126,1091 5127,1092 14.216,1093 22.83,1094 31.407,1095 31.352,1096 32.073,1097 31.233,1098 31.207,1099 43.916,1100 1.36,1101 88.294,1102 30.366,1103 5.27,1104 5.217,1105 6.211,1106 5.127,1107 5.061,1108 7.434,1109 1.36,1110 17.134,1111 5.053,1112 7.358,1113 1.496,1114 1.493,1115 1.527,1116 1.487,1117 1.486,1118 2.091,1119 0.065,1120 4.204,1121 1.446,1122 4.1,1123 4.122,1124 4.053,1125 4.062,1126 5.291,1127 4.057,1128 3.851,1129 3.906,1130 3.814,1131 3.696,1132 4.979,1133 3.718,1134 3.475,1135 3.522,1136 3.374,1137 3.388,1138 4.89,1139 3.38,1140 3.221,1141 3.298,1142 3.107,1143 3.071,1144 4.452,1145 3.072,1146 3.036,1147 3.148,1148 2.901,1149 2.798,1150 4.325,1151 2.812,1152 2.9,1153 2.994,1154 2.754,1155 2.61,1156 3.886,1157 2.637,1158 2.69,1159 2.794,1160 2.541,1161 2.572,1162 3.742,1163 2.559,1164 2.652,1165 2.717,1166 2.455,1167 2.448,1168 3.523,1169 2.438,1170 0.215,1171 0.153,1172 0.311,1173 0.193,1174 0.146,1175 4.506,1176 0.211,1177 3.217,1178 0.032,1179 6.522,1180 0.489,1181 4.058,1182 0.145,1183 3.061,1184 4.434,1185 0.68,1186 10.267,1187 3.053,1188 2.087,1189 2.069,1190 2.171,1191 2.141,1192 1.34,1193 2.152,1194 1.778,1195 1.733,1196 1.872,1197 1.963,1198 0.988,1199 1.937,1200 1.484,1201 1.441,1202 1.659,1203 1.609,1204 0.677,1205 1.631,1206 1.197,1207 1.136,1208 1.419,1209 1.425,1210 0.44,1211 1.429,1212 0.966,1213 0.881,1214 1.248,1215 1.307,1216 0.21,1217 1.307,1218 0.844,1219 0.73,1220 1.165,1221 1.134,1222 0.059,1223 1.151,1224 0.696,1225 0.638,1226 1.047,1227 0.969,1229 1.007,1230 0.664,1231 0.565,1232 0.948,1233 0.837,1235 0.878,1236 3.761,1238 5.069,1240 6.589,1242 8.206,1244 9.869,1250 11.391,1252 0.702,1262 21.72,1263 46.559,1264 104.814,1265 127.304,1266 146.955,1267 156.465,1268 160.465,1269 20.701,1270 6.623,1271 77.82,1272 77.82,1273 18,1274 12.09,1275 4.17,1276 3.248,1277 27.752,1278 53,1279 52,1280 0.263,1281 136.233,1282 221.16,1283 324.169,1284 5970,1286 13.242,1287 0.697,1288 0.546,1289 13.242,1290 10.375,1291 9.237,1292 0.44,1293 0.289,1294 6.023,1295 9.031,1296 5.879,1297 4.899,1298 9.237,1299 6.074,1300 8.291,1301 0.286,1302 0.154,1303 8.291,1304 4.454,1305 6.938,1306 0.183,1307 0.084,1308 6.938,1309 3.177,1310 5.831,1311 0.119,1312 0.045,1313 5.831,1314 2.222,1315 4.78,1316 0.077,1317 0.025,1318 4.78,1319 1.545,1320 0.398,1321 56.863,1322 0.265,1323 18.756,1324 0.757,1325 100,1326 249.915,1327 106.05,1328 256.597,1329 360.1,1330 240,1331 117,1332 274.972,1333 122.329,1334 284.589,1335 411.8,1336 268,1337 4.532}
{0 CHEMBL367061,1 1.738,2 11.897,3 3.015,4 9.088,5 108.612,6 8.28,7 0.581,8 4.001,9 4.107,10 3.635,11 3.445,12 5.3,13 3.479,14 4.461,15 4.6,16 3.97,17 3.785,18 5.821,19 3.812,20 4.613,21 4.742,22 4.067,23 3.916,24 5.887,25 3.934,26 4.758,27 4.929,28 4.013,29 3.944,30 6.009,31 3.933,32 4.788,33 4.97,34 3.965,35 3.953,36 5.928,37 3.932,38 4.756,39 4.92,40 3.946,41 3.953,42 5.938,43 3.92,44 4.817,45 5.046,46 3.881,47 3.929,48 5.884,49 3.849,50 4.72,51 4.952,52 3.767,53 3.781,54 5.824,55 3.708,56 0.248,57 0.713,58 8.367,59 3.835,60 14.364,61 4.505,62 0.561,63 1.024,64 16.149,65 6.517,66 62.954,67 7.594,68 0.623,69 1.191,70 17.682,71 7.08,72 32.789,73 8.368,74 0.765,75 1.264,76 23.253,77 8.361,78 69.188,79 10.186,80 0.853,81 1.244,82 25.875,83 8.846,84 77.049,85 10.792,86 0.848,87 1.254,88 23.188,89 8.528,90 63.668,91 10.363,92 0.819,93 1.261,94 28.254,95 9.833,96 61.772,97 13.793,98 0.738,99 1.147,100 25.509,101 8.337,102 54.931,103 11.946,104 46,105 43,106 0.293,107 0.636,108 0.748,109 0.796,110 0.796,111 0.796,112 3.408,113 0.818,114 -3.36,115 -3.34,116 -3.2,119 39.6,121 1,124 2,139 6,140 2,141 5,142 1,144 1,147 1,157 2,158 2,159 2,160 2,166 6,169 2,170 8,172 3,173 3,175 1,178 6,180 1,181 2,182 14,187 1,189 4,191 1,192 1,193 11,195 1,196 1,197 1,198 2,200 2,204 2,205 1,206 1,207 11,212 3,215 4,218 3,220 2,221 5,226 1,229 6,231 1,233 4,236 2,237 2,239 2,241 4,243 2,245 4,246 2,248 1,249 1,254 4,259 4,260 5,262 2,263 2,268 2,273 1380,274 19.342,275 19.342,276 19.342,277 19.342,278 19.342,279 16.761,280 29.031,281 11.217,282 20.031,283 15.148,284 15.148,285 15.148,286 15.148,287 15.148,288 11.216,289 38.784,290 5.148,291 16.087,292 3.847,293 1.816,294 1.146,295 0.865,296 0.865,297 0.865,298 4.087,301 1,302 1,303 723,304 3.391,307 317.377,314 2.183,315 38.484,318 1,319 0.83,320 1,321 0.6,323 0.83,324 0.5,325 0.68,326 65.5,327 345,328 4.445,329 3.778,330 6.546,331 4.041,332 3.094,333 4.127,334 2.612,335 10.38,336 2.934,337 4.253,338 3.423,339 6.089,340 3.818,341 2.863,342 3.946,343 0.86,344 8.849,345 2.733,346 4.225,347 3.088,348 5.928,349 3.737,350 2.768,351 3.875,352 0.86,353 8.223,354 2.676,355 3.769,356 2.762,357 5.361,358 3.32,359 2.373,360 3.234,361 0.86,362 7,363 2.239,364 3.569,365 2.555,366 5.202,367 3.157,368 2.21,369 2.91,370 0.68,371 6.457,372 2.091,373 3.355,374 2.493,375 5.19,376 2.972,377 2.061,378 2.654,380 6.118,381 1.867,382 3.352,383 2.159,384 4.918,385 2.925,386 1.978,387 2.604,389 5.634,390 1.86,391 2.936,392 2.009,393 4.144,394 2.352,395 1.418,396 2.043,398 3.671,399 1.32,400 2.82,401 1.589,402 3.859,403 2.256,404 1.284,405 1.948,407 3.031,408 1.244,409 2.5,410 1.547,411 3.661,412 2,413 1,414 1.5,415 2.275,416 1,417 2.062,418 1,419 3.414,420 1.781,421 0.919,422 1.017,423 2.178,424 0.784,425 1.618,426 1,427 3.014,428 1.332,429 0.403,430 0.472,431 0.886,432 0.372,433 1.576,434 0.916,435 2.859,436 1.27,437 0.396,438 0.452,439 0.603,440 0.342,441 1.311,442 0.793,443 2.712,444 0.981,445 0.09,446 0.105,448 0.167,449 0.079,450 1.028,451 0.521,452 2.359,453 0.639,454 -0.313,455 -0.399,457 -0.769,458 -0.295,459 13.167,460 0.454,461 0.767,462 0.026,463 42.75,464 1.474,465 23.5,466 0.81,467 19.25,468 0.664,469 19.923,470 0.687,471 31.833,472 0.663,473 34.656,474 1.195,475 8.832,476 0.305,477 5.074,478 0.175,479 0.187,481 0.372,485 0.761,486 1.217,487 0.712,488 1.064,489 0.735,490 0.898,491 0.939,492 0.875,493 0.719,494 0.892,495 0.494,496 0.782,497 0.97,498 1.245,499 0.946,500 1.185,501 0.662,502 1.074,503 1.083,504 1.012,505 1.074,506 1.136,507 0.993,508 1.106,509 1.253,510 0.904,511 1.073,512 0.949,513 0.917,514 0.971,515 1.086,516 1.095,517 1.189,518 1.174,519 0.572,520 1.211,521 0.575,522 0.981,523 0.833,524 1.085,525 0.369,526 1.063,527 0.634,528 1.136,529 0.895,530 1.169,531 0.587,532 1.132,533 7,534 0.099,535 3.333,536 2.063,537 2.12,538 1,539 0.749,540 0.587,541 0.403,542 0.334,543 10305,544 37004,545 1.993,546 39.6,547 2,548 12,550 1,551 4,555 1.72,556 1.832,557 3.496,558 1.731,559 1,560 1,564 83.438,565 1.738,566 3.769,567 4.439,568 4.72,569 4.72,570 4.72,571 3.095,572 4.306,573 4.824,574 3.703,575 1503.35,576 8.411,577 20438.2,579 1,581 1,582 268.078,583 1.519,584 4.768,585 0.226,586 0.004,587 0.078,588 0.045,589 0.05,590 0.024,591 0.019,592 0.016,593 0.013,594 0.012,595 0.488,596 0.17,597 0.88,598 0.976,599 147.849,600 0.009,601 0.004,602 0.033,603 -0.003,604 -0.115,605 0.023,606 0.023,607 0.2,608 0.15,609 0.157,610 0.212,611 0.177,612 -0.034,613 -0.141,614 -0.106,615 -0.147,616 -0.016,617 -0.137,618 -0.106,619 0.003,620 -0.146,621 -0.125,622 -0.095,623 -0.137,624 -0.21,625 0.042,626 -0.1,627 0.076,628 -0.138,629 0.028,630 -0.102,631 -0.096,632 -0.268,633 -0.143,634 -0.032,635 -0.232,636 0.206,637 -0.079,638 0.171,639 -0.047,640 0.139,641 0.02,642 0.167,643 -0.222,644 0.116,645 -0.165,646 0.069,647 -0.075,648 2.48,649 3.801,650 0.621,651 30.428,652 1.028,653 1.134,654 2.127,655 4.523,656 0.659,657 3.466,658 3.784,659 4.025,660 4.248,661 4.489,662 4.522,663 4.605,664 4.71,665 4.844,666 4.86,667 6.944,668 0.654,669 397.43,670 3.466,671 5.004,672 5.844,673 6.715,674 7.574,675 8.448,676 9.314,677 10.189,678 11.058,679 11.934,680 10.4,684 2,690 2,691 1,695 7,696 2,700 9,702 18,711 2,713 1,716 3,718 48,719 20,720 2,721 31,723 50,724 19,725 16,726 6,727 6,729 3,730 3,739 1,741 16,742 3,744 2,746 1,748 2,754 1,757 19,758 9,759 4,760 10,764 5,769 1,770 5,776 1,781 3,802 3,806 2,810 29,811 2,816 1,818 3,829 10.4,834 3,835 2,836 15.833,837 9.183,838 6.528,839 2.41,840 3.291,841 1.451,842 0.957,843 6.362,844 10.596,845 3.761,846 4.388,847 4.918,848 5.448,849 5.993,850 6.182,851 6.474,852 6.842,853 7.289,854 7.608,855 1,856 46,857 10.606,859 4.428,860 8.086,861 19.373,863 15.013,865 2.586,866 75,869 1,870 176.567,871 124.534,872 105.035,874 83.747,877 124.534,878 260.313,879 105.035,880 27.436,881 2.535,882 122.652,883 45.342,884 72.149,885 4.227,886 164.795,887 50.747,888 176.567,889 229.57,890 83.747,893 176.567,894 33,895 50.747,897 13.481,898 176.848,899 39.241,901 176.567,902 188.782,903 124.534,906 176.567,907 36.863,908 93.341,910 183.112,911 176.567,912 188.782,913 124.534,915 0.58,916 0.342,917 0.179,918 0.101,919 19,920 10,921 0.14,922 7,924 1,925 3.946,926 247.533,928 18,929 126.881,933 20.638,934 8.94,935 4.852,937 183.112,938 10.823,939 7.923,943 3.484,945 65.794,946 489.883,947 42,949 -0.48,951 21.603,956 49.331,957 54.445,958 0.311,959 0.675,960 0.795,961 0.845,962 0.845,963 0.845,964 4.987,965 1.418,966 5.838,967 5.634,968 4.466,969 5.075,970 2.866,971 6.635,972 4.356,973 6.214,974 1.284,975 7.396,976 3.671,977 4.111,978 4.987,979 2.361,980 7.509,981 3.956,982 7.533,983 1,984 9.047,985 3.031,986 6.057,987 7.299,988 4.211,989 10.56,990 5.853,991 8.885,992 0.919,993 10.751,994 2.275,995 6.463,996 7.953,997 4.506,998 12.21,999 6.206,1000 10.262,1001 0.403,1002 12.487,1003 2.178,1004 7.904,1005 9.774,1006 5.955,1007 14.789,1008 7.612,1009 11.656,1010 0.396,1011 14.246,1012 0.886,1013 8.663,1014 10.773,1015 6.556,1016 16.789,1017 8.312,1018 13.064,1019 0.09,1020 16.021,1021 0.603,1022 9.899,1023 12.385,1024 7.795,1025 19.198,1026 9.516,1027 3.094,1028 -0.313,1029 17.809,1030 0.167,1031 10.831,1032 13.562,1033 8.548,1034 21.366,1035 10.388,1036 2.863,1037 10.38,1038 19.607,1039 -0.769,1040 11.981,1041 15.071,1042 9.67,1043 23.714,1044 11.502,1045 2.768,1046 8.849,1047 21.415,1048 4.127,1049 12.998,1050 16.344,1051 10.509,1052 25.963,1053 12.461,1054 2.373,1055 8.223,1056 23.229,1057 3.946,1058 14.115,1059 17.799,1060 11.563,1061 28.291,1062 13.536,1063 2.21,1064 7,1065 25.05,1066 3.875,1067 15.175,1068 19.125,1069 12.452,1070 30.58,1071 14.539,1072 2.061,1073 6.457,1074 26.877,1075 3.234,1076 16.28,1077 20.552,1078 13.468,1079 32.904,1080 15.598,1081 1.978,1082 6.118,1083 28.708,1084 2.91,1085 17.361,1086 21.908,1087 14.386,1088 35.214,1089 16.624,1090 10195,1091 19485,1092 19.997,1093 31.631,1094 45.737,1095 47.924,1096 48.239,1097 45.601,1098 45.717,1099 61.775,1100 11.745,1101 130.941,1102 43.088,1103 5.237,1104 5.778,1105 6.076,1106 5.112,1107 5.094,1108 7.127,1109 4.612,1110 17.301,1111 4.934,1112 17.618,1113 1.475,1114 1.546,1115 1.556,1116 1.471,1117 1.475,1118 1.993,1119 0.379,1120 4.224,1121 1.39,1122 4.026,1123 4.046,1124 3.99,1125 3.915,1126 7.815,1127 3.927,1128 3.936,1129 3.967,1130 3.898,1131 3.814,1132 6.999,1133 3.824,1134 3.807,1135 3.843,1136 3.777,1137 3.642,1138 5.291,1139 3.669,1140 3.482,1141 3.497,1142 3.456,1143 3.084,1144 4.995,1145 3.159,1146 3.303,1147 3.355,1148 3.154,1149 3.006,1150 4.975,1151 3.051,1152 3.277,1153 3.345,1154 3.144,1155 3.002,1156 4.722,1157 3.026,1158 3.104,1159 3.211,1160 2.922,1161 2.832,1162 4.58,1163 2.833,1164 2.983,1165 3.093,1166 2.815,1167 2.735,1168 4.453,1169 2.715,1170 0.143,1171 0.122,1172 0.211,1173 0.13,1174 0.1,1175 4.445,1176 0.133,1177 3.778,1178 0.084,1179 6.546,1180 0.335,1181 4.041,1182 0.095,1183 3.094,1184 4.127,1185 2.612,1186 10.38,1187 2.934,1188 1.943,1189 1.928,1190 2.027,1191 2.089,1192 1.209,1193 2.058,1194 1.882,1195 1.856,1196 1.978,1197 2.036,1198 1.06,1199 2.011,1200 1.721,1201 1.683,1202 1.799,1203 1.915,1204 0.86,1205 1.881,1206 1.23,1207 1.19,1208 1.59,1209 1.645,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.552,1215 1.558,1216 0.561,1217 1.539,1218 1.174,1219 1.127,1220 1.349,1221 1.506,1222 0.366,1223 1.519,1224 1.056,1225 0.966,1226 1.239,1227 1.38,1228 0.218,1229 1.377,1230 0.888,1231 0.821,1232 1.206,1233 1.261,1234 0.134,1235 1.266,1236 4.143,1238 5.46,1240 6.971,1242 8.571,1244 10.216,1246 3.004,1250 11.445,1252 0.427,1254 16.771,1262 31.369,1263 83.438,1264 180.917,1265 213.059,1266 226.568,1267 226.568,1268 226.568,1269 60.334,1270 7.305,1271 151.33,1272 151.33,1273 18,1274 12.474,1275 4.392,1276 3.585,1277 52.45,1278 120,1279 121,1280 0.215,1281 195.523,1282 340.03,1283 468.837,1284 13833,1286 20.966,1287 0.723,1288 0.544,1289 20.966,1290 15.786,1291 13.905,1292 0.449,1293 0.273,1294 8.245,1295 13.027,1296 8.031,1297 6.716,1298 13.905,1299 8.45,1300 12.49,1301 0.29,1302 0.139,1303 12.49,1304 5.998,1305 10.217,1306 0.186,1307 0.075,1308 10.217,1309 4.099,1310 8.185,1311 0.119,1312 0.039,1313 8.185,1314 2.681,1315 6.693,1316 0.076,1317 0.021,1318 6.693,1319 1.846,1320 0.338,1321 89.818,1322 0.224,1323 27.624,1324 0.588,1325 148,1326 558.237,1327 170.191,1328 524.927,1329 700.43,1330 486,1331 172,1332 515.7,1333 194,1334 514.363,1335 739.63,1336 477,1337 4.301}
{0 CHEMBL367220,1 1.745,2 16.091,3 2.455,4 6.028,5 127.435,6 7.893,7 0.514,8 4.196,9 4.304,10 3.92,11 3.685,12 5.333,13 3.668,14 4.712,15 4.867,16 4.184,17 4.022,18 6.014,19 3.992,20 4.896,21 5.061,22 4.243,23 4.146,24 6.097,25 4.09,26 4.995,27 5.188,28 4.099,29 4.113,30 6.161,31 4.034,32 4.972,33 5.193,34 3.975,35 4.054,36 6.04,37 3.962,38 4.865,39 5.07,40 3.935,41 4.021,42 5.977,43 3.917,44 4.902,45 5.146,46 3.879,47 3.967,48 5.92,49 3.864,50 4.805,51 5.044,52 3.942,53 3.887,54 5.834,55 3.795,56 0.176,57 0.899,58 14.939,59 5.521,60 26.001,61 6.628,62 0.641,63 1.312,64 25.301,65 9.271,66 75.022,67 11.114,68 0.711,69 1.516,70 33.253,71 11.238,72 64.091,73 13.542,74 0.823,75 1.529,76 38.1,77 12.067,78 96.871,79 14.686,80 0.976,81 1.447,82 37.839,83 11.093,84 104.994,85 14.308,86 0.78,87 1.365,88 32.563,89 11.1,90 78.388,91 14.433,92 0.711,93 1.376,94 33.258,95 10.094,96 80.538,97 13.926,98 0.65,99 1.235,100 32.38,101 9.907,102 59.721,103 13.224,104 38,105 48,106 0.282,107 0.615,108 0.804,109 0.862,110 0.869,111 0.869,112 3.531,113 0.997,114 -2.59,115 -2.62,116 -2.55,119 36.7,120 1,121 1,124 1,125 3,139 7,140 2,141 4,142 1,144 1,147 1,157 2,158 2,159 2,166 8,169 2,170 4,172 3,173 5,175 1,178 8,181 3,182 10,184 1,185 1,187 2,189 5,193 9,195 1,196 2,197 1,198 2,200 2,201 1,205 1,206 1,207 5,209 1,210 1,212 2,215 4,218 1,220 3,221 6,226 4,229 3,231 2,234 4,237 1,239 4,241 1,243 2,245 2,246 5,248 1,249 1,251 3,254 1,256 2,259 4,260 5,262 1,263 1,265 1,268 2,270 1,273 2185,274 21.825,275 21.825,276 21.825,277 21.825,278 21.825,279 19.233,280 27.293,281 12.86,282 22.593,283 17.171,284 17.171,285 17.171,286 17.171,287 17.171,288 13.185,289 30.217,290 6.006,291 18.348,292 4.162,293 2.101,294 0.932,295 0.571,296 0.525,297 0.525,298 4.21,301 1,302 1,303 1114,304 4.243,307 403.701,314 2.634,315 43.896,318 1,319 0.5,320 0.83,321 1,322 0.5,323 0.67,325 0.64,326 73.5,327 531,328 4.844,329 4.683,330 7.293,331 4.291,332 3.374,333 4.697,334 1.151,335 12.404,336 3.065,337 4.274,338 3.237,339 6.173,340 3.863,341 2.915,342 3.917,343 0.86,344 9.172,345 2.765,346 4.222,347 3.106,348 6.059,349 3.773,350 2.844,351 3.873,352 0.86,353 8.706,354 2.633,355 3.835,356 2.651,357 5.255,358 3.4,359 2.401,360 3.393,362 6.666,363 2.398,364 3.577,365 2.562,366 5.149,367 3.236,368 2.286,369 2.885,371 6.32,372 2.166,373 3.438,374 2.322,375 4.954,376 3.005,377 2.09,378 2.752,380 5.794,381 1.901,382 3.086,383 2.254,384 4.733,385 2.729,386 1.784,387 2.292,389 4.772,390 1.687,391 2.948,392 1.917,393 4.409,394 2.587,395 1.636,396 2.077,398 4.313,399 1.546,400 2.848,401 1.736,402 4.171,403 2.424,404 1.478,405 1.98,407 3.767,408 1.399,409 2.653,410 1.611,411 3.718,412 2.381,413 1.45,414 1.656,415 3.238,416 1.334,417 2.5,418 1.253,419 3.414,420 2,421 1,422 1.5,423 2.275,424 1,425 2.095,426 1.102,427 3.35,428 1.826,429 0.916,430 1.042,431 2.051,432 0.825,433 1.913,434 1,435 3.249,436 1.63,437 0.739,438 0.84,439 1.678,440 0.653,441 1.648,442 0.939,443 2.95,444 1.379,445 0.495,446 0.556,448 0.854,449 0.433,450 1.328,451 0.543,452 2.707,453 1.031,454 0.123,455 0.14,457 0.255,458 0.111,459 15.5,460 0.47,461 0.892,462 0.027,463 44.75,464 1.356,465 23.5,466 0.712,467 21.25,468 0.644,469 26.091,470 0.791,471 37.3,472 0.622,473 36.407,474 1.103,475 8.939,476 0.271,477 6.841,478 0.207,479 0.159,480 0.054,481 0.258,485 0.812,486 1.385,487 0.843,488 1.289,489 0.859,490 0.991,491 0.983,492 0.929,493 0.869,494 0.946,495 0.623,496 0.888,497 1.058,498 1.172,499 1.165,500 1.23,501 0.907,502 1.09,503 1.356,504 1.073,505 1.241,506 1.182,507 1.381,508 1.144,509 1.288,510 0.839,511 1.104,512 0.912,513 1.374,514 0.989,515 0.825,516 1.17,517 1.039,518 1.17,519 0.808,520 1.159,521 1.051,522 0.949,523 0.883,524 0.855,525 1.038,526 0.965,527 0.857,528 0.959,529 0.811,530 0.956,531 0.601,532 0.889,533 8,534 0.194,535 4.444,536 2,537 1.649,538 1.049,539 0.405,540 0.464,541 0.451,542 0.286,543 17781,544 55232,545 1.987,546 45,547 3,548 16,550 1,551 5,554 2,555 1.746,556 1.842,557 3.911,558 2.401,560 1,564 104.705,565 1.745,566 3.806,567 4.975,568 5.336,569 5.382,570 5.382,571 3.374,572 4.802,573 5.016,574 4.131,575 2181.06,576 8.745,577 35958.3,582 354.413,583 1.573,584 4.957,585 0.229,586 0.006,587 0.093,588 0.041,589 0.04,590 0.029,591 0.011,592 0.014,593 0.013,594 0.008,595 0.485,596 0.17,597 0.63,598 0.753,599 181.452,600 -0.03,601 -0.108,602 0.171,603 -0.079,604 -0.204,605 0.025,606 0.092,607 0.169,608 0.086,609 0.098,610 0.248,611 0.084,612 0.006,613 -0.091,614 -0.093,615 -0.118,616 0.017,617 -0.101,618 -0.18,619 -0.093,620 -0.198,621 -0.148,622 -0.142,623 -0.169,624 -0.153,625 0.1,626 -0.123,627 0.043,628 -0.216,629 -0.023,630 0.119,631 -0.218,632 -0.083,633 -0.147,634 0.08,635 -0.14,636 -0.107,637 -0.021,638 0.011,639 0.037,640 -0.117,641 0.01,642 0.091,643 -0.038,644 0.2,645 0.032,646 0.107,647 0.118,648 4.461,649 5.311,650 0.545,651 43.006,652 1.016,653 1.134,654 1.364,655 1.859,656 0.655,657 3.584,658 3.892,659 4.078,660 4.22,661 4.394,662 4.369,663 4.263,664 4.317,665 4.431,666 4.489,667 9.217,668 0.628,669 473.61,670 3.584,671 5.118,672 5.938,673 6.795,674 7.63,675 8.488,676 9.328,677 10.186,678 11.028,679 11.886,680 8.3,682 1,684 2,690 2,695 8,696 2,700 8,702 18,711 2,716 3,718 60,719 20,720 2,721 35,723 62,724 22,725 16,726 5,727 7,729 3,730 3,734 1,739 1,741 16,742 6,744 2,747 1,748 2,754 1,757 27,758 10,759 5,760 11,761 1,764 5,769 1,770 5,776 1,781 3,802 3,804 1,806 2,810 33,811 2,814 1,816 4,817 1,818 3,829 8.3,832 2,834 3,836 17.917,837 10.983,838 7.347,839 3.189,840 2.927,841 1.396,842 0.964,843 8.605,844 10.323,845 3.85,846 4.46,847 4.925,848 5.374,849 5.854,850 5.899,851 5.859,852 5.934,853 6.297,854 6.61,855 0.909,856 49,857 12.364,859 5.325,860 7.962,861 22.725,863 17.936,865 2.462,866 81.25,870 258.964,871 142.601,872 115.77,874 77.313,876 5.807,877 136.794,878 336.277,879 115.77,880 19.708,881 13.825,882 154.341,883 89.655,884 65.699,885 4.227,886 247.193,888 258.964,889 252.564,890 77.313,891 5.807,893 235.422,894 100.855,897 50.002,898 168.991,899 39.378,901 258.964,902 193.083,903 142.601,905 5.807,906 258.964,907 41.704,908 95.089,909 16.405,910 176.678,911 258.964,912 193.083,913 142.601,915 0.581,916 0.331,917 0.162,918 0.087,919 20,920 10,921 0.177,922 11,924 1,925 4.501,926 275.053,928 18,929 157.71,932 1,933 24.893,934 11.407,935 7.12,937 193.083,938 13.471,939 7.709,943 3.685,945 82.199,946 594.648,947 46,950 -3.544,951 24.621,956 60.942,957 68.026,958 0.295,959 0.644,960 0.842,961 0.903,962 0.911,963 0.911,964 5.078,965 1.636,966 5.943,967 4.772,968 4.575,969 5.147,970 1.888,971 6.742,972 4.447,973 6.308,974 1.478,975 7.509,976 4.313,977 4.29,978 5.198,980 7.881,981 4.085,982 7.646,983 1.45,984 9.189,985 3.767,986 6.209,987 7.434,988 1.902,989 10.861,990 5.943,991 9.028,992 1,993 10.942,994 3.238,995 6.735,996 8.287,998 12.866,999 6.362,1000 10.447,1001 0.916,1002 12.744,1003 2.275,1004 8.167,1005 10.063,1006 1.983,1007 15.47,1008 7.74,1009 11.891,1010 0.739,1011 14.583,1012 2.051,1013 9.056,1014 11.268,1016 17.797,1017 8.51,1018 13.356,1019 0.495,1020 16.451,1021 1.678,1022 10.316,1023 12.881,1024 2.122,1025 20.316,1026 9.705,1027 3.374,1028 0.123,1029 18.34,1030 0.854,1031 11.369,1032 14.25,1034 22.759,1035 10.639,1036 2.915,1037 12.404,1038 20.248,1039 0.255,1040 12.571,1041 15.803,1042 2.306,1043 25.265,1044 11.763,1045 2.844,1046 9.172,1047 22.17,1048 4.697,1049 13.699,1050 17.253,1052 27.752,1053 12.776,1054 2.401,1055 8.706,1056 24.103,1057 3.917,1058 14.887,1059 18.787,1060 2.522,1061 30.259,1062 13.875,1063 2.286,1064 6.666,1065 26.046,1066 3.873,1067 16.051,1068 20.278,1070 32.763,1071 14.929,1072 2.09,1073 6.32,1074 27.996,1075 3.393,1076 17.239,1077 21.808,1078 2.759,1079 35.275,1080 16.021,1081 1.784,1082 5.794,1083 29.953,1084 2.885,1085 18.421,1086 23.321,1088 37.786,1089 17.096,1090 17300,1091 30696,1092 22.652,1093 39.324,1094 50.99,1095 52.885,1096 52.952,1097 50.993,1098 51.065,1099 67.199,1100 5.742,1101 144.53,1102 47.831,1103 5.781,1104 6.683,1105 7.036,1106 5.373,1107 5.374,1108 7.697,1109 2.302,1110 19.553,1111 5.065,1112 19.596,1113 1.457,1114 1.511,1115 1.513,1116 1.457,1117 1.459,1118 1.92,1119 0.164,1120 4.129,1121 1.367,1122 4.08,1123 4.065,1124 4.735,1125 4.066,1126 7.717,1127 3.981,1128 3.95,1129 3.968,1130 3.909,1131 3.855,1132 6.999,1133 3.861,1134 3.833,1135 3.879,1136 3.801,1137 3.641,1138 5.305,1139 3.677,1140 3.713,1141 3.745,1142 3.727,1143 3.619,1144 4.986,1145 3.565,1146 3.52,1147 3.539,1148 3.416,1149 3.377,1150 4.922,1151 3.346,1152 3.307,1153 3.356,1154 3.182,1155 3.054,1156 4.704,1157 3.075,1158 3.183,1159 3.255,1160 3.022,1161 2.927,1162 4.605,1163 2.933,1164 3.077,1165 3.179,1166 2.925,1167 2.868,1168 4.47,1169 2.844,1170 0.138,1171 0.134,1172 0.208,1173 0.123,1174 0.096,1175 4.844,1176 0.134,1177 4.683,1178 0.033,1179 7.293,1180 0.354,1181 4.291,1182 0.088,1183 3.374,1184 4.697,1185 1.151,1186 12.404,1187 3.065,1188 1.973,1189 1.977,1190 2.026,1191 2.044,1192 1.239,1193 2.082,1194 1.898,1195 1.883,1196 1.999,1197 2.02,1198 1.16,1199 2.01,1200 1.728,1201 1.685,1202 1.866,1203 1.948,1204 1.122,1205 1.913,1206 1.648,1207 1.614,1208 1.795,1209 1.834,1210 0.763,1211 1.858,1212 1.431,1213 1.424,1214 1.579,1215 1.604,1216 0.744,1217 1.648,1218 1.231,1219 1.176,1220 1.531,1221 1.54,1222 0.599,1223 1.55,1224 1.126,1225 1.059,1226 1.403,1227 1.418,1228 0.542,1229 1.414,1230 1.048,1231 0.973,1232 1.308,1233 1.348,1234 0.49,1235 1.361,1236 4.263,1238 5.572,1240 7.069,1242 8.65,1244 10.273,1246 3.439,1250 11.246,1252 1.252,1253 2.575,1254 16.796,1262 37.663,1263 104.705,1264 228.34,1265 298.497,1266 320.149,1267 322.904,1268 322.904,1269 80.834,1270 7.396,1271 151.68,1272 160.06,1273 18,1274 12.441,1275 4.392,1276 3.585,1277 64.811,1278 183,1279 173,1280 0.166,1281 238.359,1282 413.08,1283 573.355,1284 18703,1286 23.847,1287 0.723,1288 0.584,1289 24.097,1290 19.262,1291 15.78,1292 0.451,1293 0.332,1294 10.075,1295 14.2,1296 9.677,1297 8.086,1298 16.601,1299 11.634,1300 14.385,1301 0.3,1302 0.186,1303 15.709,1304 8.931,1305 11.345,1306 0.196,1307 0.105,1308 12.452,1309 6.103,1310 8.582,1311 0.128,1312 0.059,1313 9.449,1314 3.927,1315 6.616,1316 0.083,1317 0.034,1318 7.334,1319 2.748,1320 0.275,1321 108.69,1322 0.21,1323 31.806,1324 0.42,1325 166,1326 571.786,1327 224.59,1328 559.799,1329 750.02,1330 518,1331 189,1332 514.966,1333 254.295,1334 554.858,1335 800.55,1336 516,1337 5.344}
{0 CHEMBL367308,1 1.905,2 7.944,3 2.514,4 6.321,5 73.068,6 10.184,7 0.632,8 3.471,9 3.582,10 3.276,11 3.014,12 4.753,13 3.022,14 3.9,15 4.031,16 3.668,17 3.358,18 5.218,19 3.342,20 4.075,21 4.213,22 3.798,23 3.462,24 5.378,25 3.416,26 4.083,27 4.227,28 3.778,29 3.339,30 5.44,31 3.251,32 3.937,33 4.184,34 3.132,35 3.079,36 5.04,37 2.989,38 3.697,39 3.897,40 3.334,41 3.061,42 4.829,43 2.998,44 3.657,45 3.797,46 3.573,47 3.015,48 5.202,49 2.979,50 3.596,51 3.835,52 2.84,53 2.786,54 4.738,55 2.647,56 0.133,57 0.418,58 2.956,59 1.992,60 14.068,61 2.061,62 0.278,63 0.584,64 6.572,65 3.638,66 21.216,67 3.958,68 0.415,69 0.603,70 11.097,71 4.336,72 30.451,73 4.627,74 0.579,75 0.537,76 22.086,77 5.11,78 46.482,79 5.141,80 0.424,81 0.501,82 14.812,83 3.873,84 42.788,85 4.541,86 0.253,87 0.414,88 9.631,89 3.427,90 21.283,91 4.108,92 0.315,93 0.389,94 9.663,95 2.452,96 29.717,97 2.726,98 0.269,99 0.341,100 13.362,101 3.037,102 25.659,103 3.662,104 17,105 26,106 0.371,107 0.723,108 0.793,109 0.84,110 0.84,111 0.84,112 2.96,113 0.911,114 -3.76,115 -3.72,116 -3.54,119 39.3,125 1,139 3,140 1,141 3,142 1,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 1,172 3,173 3,178 7,181 2,184 1,185 1,189 3,193 4,195 1,196 1,197 1,200 2,201 3,205 1,207 3,209 1,210 1,212 1,218 1,234 8,239 5,243 5,246 2,251 1,256 1,265 4,270 4,273 332,274 11.776,275 11.776,276 11.776,277 11.776,278 11.776,279 10.09,280 12.613,281 6.887,282 12.291,283 9.322,284 9.322,285 9.322,286 9.322,287 9.322,288 6.928,289 14.188,290 3.23,291 10.281,292 2.903,293 1.098,294 0.741,295 0.5,296 0.5,297 0.5,298 3.611,299 2,301 1,302 1,303 295,304 2.236,307 120.193,314 1.074,315 20.74,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 39.667,327 143,328 4.333,329 3.415,330 6.392,331 3.898,332 2.976,333 3.99,334 1.151,335 9.644,336 2.702,337 4.219,338 3.073,339 6.054,340 3.76,341 2.834,342 3.873,344 8.688,345 2.612,346 3.464,347 2.623,348 4.96,349 3.027,350 2.126,351 2.777,353 5.821,354 1.912,355 3.232,356 2.383,357 4.841,358 2.707,359 1.879,360 2.481,362 5.104,363 1.505,364 2.94,365 1.981,366 4.211,367 2.533,368 1.585,369 2.107,371 3.904,372 1.441,373 2.832,374 1.577,375 4.009,376 2.355,377 1.414,378 1.965,380 3.472,381 1.318,382 2.085,383 1.276,384 3.303,385 1.748,386 0.881,387 1.029,389 1.968,390 0.733,391 1.453,392 0.859,393 2.696,394 1.089,395 0.244,396 0.281,398 0.568,399 0.185,400 1,401 0.199,402 2.359,403 0.525,404 -0.314,405 -0.366,407 -0.726,408 -0.229,409 0.927,410 0.173,411 2.352,412 0.473,413 -0.347,414 -0.445,415 -0.757,416 -0.234,417 0.793,418 -0.314,419 2.164,420 0.391,421 -0.515,422 -0.621,423 -1.242,424 -0.466,425 0.152,426 -0.626,427 1.797,428 -0.19,429 -1.083,430 -1.29,431 -2.839,432 -0.845,433 0.045,434 -0.917,435 1.373,436 -0.458,437 -1.243,438 -1.588,439 -3.146,440 -1.049,441 -0.164,442 -1.235,443 1.353,444 -0.517,445 -1.414,446 -1.863,448 -3.788,449 -1.212,450 -0.232,451 -1.255,452 1.19,453 -0.636,454 -1.532,455 -2.036,457 -4.041,458 -1.329,459 8.862,460 0.492,461 0.511,462 0.028,463 25.5,464 1.417,465 13.5,466 0.75,467 12,468 0.667,469 11.604,470 0.645,471 19.338,472 0.691,473 16.035,474 0.891,475 5.158,476 0.287,477 3.417,478 0.19,479 0.251,481 0.339,485 0.945,486 1.211,487 0.53,488 0.717,489 1.124,490 0.69,491 0.905,492 0.879,493 0.594,494 0.745,495 0.628,496 0.761,497 1.13,498 1.065,499 1.01,500 0.943,501 0.974,502 0.974,503 1.233,504 1.08,505 1.434,506 1.518,507 1.131,508 1.423,509 1.157,510 0.619,511 0.87,512 0.649,513 1.209,514 0.816,515 0.936,516 1.026,517 0.611,518 0.574,519 0.751,520 0.596,521 0.666,522 1.436,523 1.249,524 1.467,525 0.836,526 1.233,527 1.125,528 1.015,529 1.407,530 1.131,531 1.351,532 1.161,533 4,534 0.012,535 2.667,536 1.375,537 0.827,538 0.458,539 0.367,540 0.165,541 0.192,542 0.03,543 2655,544 10853,545 1.963,546 35.7,548 5,550 1,551 4,555 1.585,556 1.8,557 2.96,558 2.159,560 1,562 1,564 53.333,565 1.905,566 3.709,567 4.066,568 4.307,569 4.307,570 4.307,571 2.394,572 3.461,573 4.147,574 3.086,575 472.121,576 7.027,577 4518.57,578 1,579 1,581 1,582 134.606,583 1.53,584 4.076,585 0.211,586 0.012,587 0.103,588 0.053,589 0.044,590 0.033,591 0.022,592 0.01,593 0.021,594 0.006,595 0.513,596 0.5,597 1,598 0.714,599 76.555,600 -0.213,601 -0.006,602 -0.024,603 0.084,604 -0.341,605 0.084,606 0.007,607 0.212,608 0.063,609 0.132,610 0.116,611 0.091,612 -0.063,613 -0.049,614 -0.092,615 -0.005,616 -0.077,617 -0.095,618 0.04,619 -0.201,620 -0.178,621 -0.476,622 -0.015,623 -0.47,624 -0.199,625 0.306,626 -0.03,627 0.294,628 -0.226,629 0.202,630 -0.056,631 -0.117,632 0.263,633 0.424,634 0.064,635 0.451,636 0.293,637 -0.373,638 -0.04,639 -0.528,640 0.309,641 -0.377,642 -0.259,643 -0.129,644 -0.238,645 -0.109,646 -0.316,647 -0.096,648 1.573,649 1.965,650 0.667,651 10.84,652 1.033,653 1.134,654 2.529,655 6.394,656 0.723,657 2.996,658 3.296,659 3.497,660 3.638,661 3.738,662 3.664,663 3.526,664 3.526,665 3.638,666 3.497,667 4.808,668 0.699,669 285.15,670 2.996,671 4.511,672 5.333,673 6.184,674 7.018,675 7.871,676 8.709,677 9.562,678 10.402,679 11.255,680 14.3,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 1,717 2,718 28,719 12,720 1,721 19,723 29,724 11,725 10,726 3,727 3,729 2,730 2,731 2,741 10,742 1,754 1,757 10,758 5,759 4,760 7,761 2,764 4,769 1,770 1,776 1,781 2,802 2,807 2,810 18,811 2,816 1,818 1,828 2,829 3.6,834 1,836 10,837 4.852,838 4,839 1.364,840 2.265,841 1.376,842 0.976,843 4.111,844 8.289,845 3.258,846 3.871,847 4.382,848 4.838,849 5.276,850 5.211,851 5.116,852 5.422,853 5.852,854 6.124,855 1,856 26,857 6.539,859 2.693,860 8.012,861 11.968,863 9.215,865 2.512,866 45.222,870 70.627,871 61.726,872 99.365,873 78.297,874 11,877 61.726,878 159.924,879 99.365,881 4.592,882 94.223,883 45.342,884 35.478,885 4.227,886 58.856,887 78.297,888 70.627,889 161.091,890 11,891 78.297,893 70.627,894 11,897 15.539,898 111.981,899 111.868,901 70.627,902 110.365,903 140.023,906 70.627,907 24.25,908 37.476,910 188.663,911 70.627,912 110.365,913 140.023,915 0.585,916 0.339,917 0.167,918 0.08,919 12,920 6,921 0.103,922 3,924 1,925 3.002,926 121.375,928 12,929 69.059,933 13.204,934 5.605,935 3.171,937 110.365,938 6.626,939 7.577,943 2.327,945 65.794,946 321.015,947 25,956 28.916,957 31.751,958 0.396,959 0.772,960 0.846,961 0.896,962 0.896,963 0.896,964 4.466,965 0.244,966 5.323,967 1.968,968 3.97,969 4.554,970 1.294,971 6.094,972 3.77,973 5.685,974 -0.314,975 6.872,976 0.568,977 3.611,978 4.407,980 6.952,981 3.252,982 6.993,983 -0.347,984 8.521,985 -0.726,986 5.533,987 6.753,988 1.506,989 9.991,990 5.169,991 8.335,992 -0.515,993 10.225,994 -0.757,995 5.943,996 7.355,998 11.645,999 5.415,1000 9.704,1001 -1.083,1002 11.965,1003 -1.242,1004 7.375,1005 9.215,1006 1.731,1007 14.205,1008 6.843,1009 11.093,1010 -1.243,1011 13.729,1012 -2.839,1013 8.141,1014 10.176,1016 16.189,1017 7.456,1018 12.497,1019 -1.414,1020 15.51,1021 -3.146,1022 9.37,1023 11.814,1024 1.968,1025 18.568,1026 8.661,1027 2.976,1028 -1.532,1029 17.305,1030 -3.788,1031 10.302,1032 12.96,1034 20.694,1035 9.455,1036 2.834,1037 9.644,1038 19.109,1039 -4.041,1040 11.444,1041 14.482,1042 2.214,1043 22.998,1044 10.55,1045 2.126,1046 8.688,1047 20.922,1048 3.99,1049 12.453,1050 15.727,1052 25.189,1053 11.435,1054 1.879,1055 5.821,1056 22.74,1057 3.873,1058 13.557,1059 17.185,1060 2.468,1061 27.462,1062 12.476,1063 1.585,1064 5.104,1065 24.563,1066 2.777,1067 14.601,1068 18.485,1070 29.684,1071 13.407,1072 1.414,1073 3.904,1074 26.39,1075 2.481,1076 15.689,1077 19.907,1078 2.727,1079 31.943,1080 14.42,1081 0.881,1082 3.472,1083 28.22,1084 2.107,1085 16.749,1086 21.239,1088 34.181,1089 15.375,1090 2721,1091 5595,1092 12.137,1093 20.239,1094 28.065,1095 29.051,1096 29.223,1097 28.085,1098 27.878,1099 37.008,1100 2.302,1101 78.336,1102 24.819,1103 5.169,1104 5.415,1105 5.938,1106 4.967,1107 4.976,1108 6.99,1109 2.302,1110 16.203,1111 4.702,1112 9.957,1113 1.477,1114 1.529,1115 1.538,1116 1.478,1117 1.467,1118 1.948,1119 0.121,1120 4.123,1121 1.306,1122 3.943,1123 3.964,1124 4.102,1125 3.884,1126 5.305,1127 3.875,1128 3.827,1129 3.872,1130 3.82,1131 3.641,1132 5.017,1133 3.677,1134 3.24,1135 3.299,1136 3.582,1137 3.027,1138 4.98,1139 3.035,1140 3.053,1141 3.171,1142 3.127,1143 2.849,1144 4.632,1145 2.815,1146 2.901,1147 2.989,1148 3.057,1149 2.759,1150 4.584,1151 2.79,1152 2.88,1153 2.918,1154 2.876,1155 2.577,1156 4.223,1157 2.608,1158 2.553,1159 2.596,1160 2.699,1161 2.352,1162 4.115,1163 2.33,1164 2.25,1165 2.398,1166 2.148,1167 1.791,1168 3.74,1169 1.816,1170 0.228,1171 0.18,1172 0.336,1173 0.205,1174 0.157,1175 4.333,1176 0.21,1177 3.415,1178 0.061,1179 6.392,1180 0.508,1181 3.898,1182 0.142,1183 2.976,1184 3.99,1185 1.151,1186 9.644,1187 2.702,1188 1.895,1189 1.881,1190 1.958,1191 1.996,1192 1.134,1193 1.985,1194 1.727,1195 1.683,1196 1.797,1197 1.92,1198 0.747,1199 1.903,1200 1.178,1201 1.124,1202 1.439,1203 1.45,1204 0.575,1205 1.441,1206 0.959,1207 0.854,1208 1.259,1209 1.34,1210 0.105,1211 1.334,1212 0.849,1213 0.827,1214 1.127,1215 1.15,1217 1.157,1218 0.8,1219 0.691,1220 1,1221 0.962,1223 1.004,1224 0.474,1225 0.419,1226 0.679,1227 0.691,1229 0.716,1230 0.152,1232 0.526,1233 0.574,1235 0.569,1236 3.664,1238 4.963,1240 6.46,1242 8.048,1244 9.676,1247 12.028,1250 11.023,1252 0.177,1254 5.465,1262 19.563,1263 53.333,1264 103.851,1265 113.851,1266 120.606,1267 120.606,1268 120.606,1269 27.058,1270 6.023,1271 87.05,1272 87.05,1273 12,1274 11.813,1275 3.7,1276 2.807,1277 31.057,1278 53,1279 46,1280 0.3,1281 131.774,1282 219.71,1283 313.289,1284 2694,1285 7.1,1286 13.121,1287 0.729,1288 0.597,1289 14.121,1290 10.742,1291 8.575,1292 0.451,1293 0.304,1294 4.989,1295 7.66,1296 4.829,1297 3.989,1298 9.153,1299 5.769,1300 7.782,1301 0.299,1302 0.165,1303 8.524,1304 4.281,1305 6.261,1306 0.196,1307 0.092,1308 6.978,1309 2.943,1310 4.883,1311 0.132,1312 0.05,1313 5.631,1314 1.836,1315 3.325,1316 0.081,1317 0.024,1318 3.635,1319 0.965,1320 0.462,1321 60.151,1322 0.287,1323 18.081,1324 0.838,1325 90,1326 316.057,1327 130.632,1328 366.006,1329 473.42,1330 338,1331 103,1332 299.152,1333 135.902,1334 321.997,1335 467.57,1336 301,1337 5.59}
{0 CHEMBL367802,1 1.397,2 10.12,3 3.609,4 13.026,5 103.952,6 7.487,7 0.786,8 3.891,9 4.025,10 3.47,11 3.475,12 5.037,13 3.452,14 4.367,15 4.539,16 3.836,17 3.869,18 5.473,19 3.826,20 4.595,21 4.782,22 3.906,23 4.032,24 5.62,25 3.963,26 4.713,27 4.934,28 3.811,29 4.031,30 5.71,31 3.919,32 4.741,33 4.999,34 3.662,35 3.961,36 5.658,37 3.822,38 4.642,39 4.912,40 3.532,41 3.851,42 5.502,43 3.709,44 4.524,45 4.787,46 3.418,47 3.761,48 5.446,49 3.625,50 4.38,51 4.647,52 3.349,53 3.625,54 5.263,55 3.491,56 0.051,57 0.685,58 8.753,59 3.526,60 10.643,61 4.78,62 0.189,63 1.079,64 15.214,65 6.113,66 20.17,67 8.39,68 0.125,69 1.309,70 19.542,71 7.659,72 17.517,73 10.667,74 0.177,75 1.408,76 23.279,77 9.194,78 30.469,79 13.011,80 0.263,81 1.398,82 25.538,83 9.483,84 34.93,85 13.642,86 0.175,87 1.228,88 23.616,89 8.798,90 27.325,91 12.775,92 0.229,93 1.114,94 20.775,95 7.386,96 31.868,97 10.636,98 0.102,99 0.936,100 18.032,101 7.103,102 18.996,103 10.288,104 10,105 40,106 0.238,107 0.564,108 0.709,109 0.838,110 0.875,111 0.89,112 3.267,113 0.87,114 -5.29,115 -5.17,116 -4.84,119 45.5,124 1,125 1,139 10,140 4,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 13,169 1,170 6,172 3,173 3,175 1,178 16,180 1,182 7,187 1,189 14,191 1,193 4,195 1,196 1,197 1,198 3,200 2,201 8,204 3,205 1,206 2,207 4,209 1,210 1,212 3,215 8,218 3,221 1,229 10,234 2,236 1,237 1,239 1,241 12,243 1,246 4,251 2,254 8,256 2,260 6,265 4,268 2,270 4,273 834,274 16.947,275 16.947,276 16.947,277 16.947,278 16.947,279 14.348,280 16.551,281 9.89,282 17.226,283 13.831,284 13.831,285 13.831,286 13.831,287 13.831,288 9.957,289 23.229,290 4.695,291 14.293,292 4.063,293 2.155,294 1.306,295 0.551,296 0.335,297 0.244,298 3.967,300 1,301 1,302 1,303 559,304 2.828,307 239.617,311 204.215,314 1.485,315 14.156,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 52.5,327 253,328 4.552,329 3.242,330 6.534,331 4.082,332 3.111,333 4.495,334 0.916,335 10.299,336 3.045,337 4.495,338 3.097,339 6.503,340 4.024,341 3.034,342 4.43,343 0.172,344 10.184,345 2.987,346 3.93,347 2.855,348 5.975,349 3.605,350 2.665,351 3.339,353 8.407,354 2.503,355 3.531,356 2.277,357 5.199,358 3.104,359 2.146,360 2.921,362 6.263,363 2.076,364 3.431,365 2.159,366 5.064,367 2.982,368 2.031,369 2.811,371 5.866,372 1.908,373 3.402,374 2.051,375 5.007,376 2.927,377 1.975,378 2.751,380 5.792,381 1.874,382 3.118,383 1.618,384 4.26,385 2.618,386 1.618,387 2.427,389 3.888,390 1.618,391 2.773,392 1.453,393 4.007,394 2.301,395 1.325,396 1.907,398 3.407,399 1.294,400 2.603,401 1.267,402 3.707,403 2.234,404 1.25,405 1.63,407 2.802,408 1.225,409 2.442,410 1.057,411 3.586,412 1.978,413 1.004,414 1.418,415 2.565,416 0.975,417 2.262,418 0.939,419 3.3,420 1.834,421 0.844,422 1.173,423 1.979,424 0.835,425 1.393,426 0.19,427 2.828,428 0.988,429 0.035,430 0.046,431 0.09,432 0.033,433 1.186,434 0.037,435 2.657,436 0.815,437 -0.15,438 -0.189,439 -0.367,440 -0.145,441 0.966,442 -0.298,443 2.51,444 0.478,445 -0.448,446 -0.578,448 -1.157,449 -0.412,450 0.882,451 -0.612,452 2.345,453 0.382,454 -0.618,455 -0.927,457 -1.478,458 -0.618,459 12,460 0.48,461 0.644,462 0.026,463 37.75,464 1.51,465 21.5,466 0.86,467 16.25,468 0.65,469 16.401,470 0.656,471 25.2,472 0.573,473 26.707,474 1.068,475 7.538,476 0.302,477 4.576,478 0.183,479 0.108,481 0.367,485 1.134,486 1.133,487 0.815,488 0.883,489 1.3,490 0.825,491 0.742,492 0.842,493 0.791,494 0.836,495 0.445,496 0.822,497 1.068,498 1.141,499 1.011,500 1.063,501 0.816,502 1.037,503 0.793,504 1.164,505 1.077,506 1.22,507 0.722,508 1.188,509 0.86,510 0.945,511 1.084,512 1.083,513 0.978,514 1.104,515 0.858,516 0.937,517 0.966,518 0.987,519 0.766,520 0.988,521 1.163,522 0.747,523 1.132,524 0.91,525 1.226,526 0.998,527 0.568,528 0.956,529 0.806,530 0.969,531 0.583,532 0.925,533 5,534 0.103,535 3.111,536 1.75,537 1.693,538 0.813,539 0.366,540 0.323,541 0.209,542 0.177,543 7360,544 18034,545 2.13,546 43.2,548 15,551 4,555 1.679,556 2,557 3.301,558 1.697,560 1,564 61.456,565 1.397,566 3.305,567 4.153,568 4.908,569 5.124,570 5.215,571 2.713,572 4.374,573 4.62,574 3.44,575 1031.93,576 7.982,577 12307.5,579 1,581 1,582 240.215,583 1.388,584 4.579,585 0.179,586 0.006,587 0.078,588 0.042,589 0.047,590 0.027,591 0.014,592 0.013,593 0.009,594 0.009,595 0.424,596 0.17,597 1,598 0.553,599 119.971,600 -0.139,601 0.002,602 0.03,603 0.071,604 -0.29,605 0.07,606 0.255,607 0.246,608 0.1,609 0.128,610 0.27,611 0.102,612 -0.137,613 -0.095,614 -0.109,615 -0.092,616 -0.063,617 -0.096,618 0.069,619 -0.186,620 -0.135,621 -0.232,622 0.098,623 -0.212,624 0.075,625 0.003,626 -0.094,627 -0.097,628 -0.063,629 -0.112,630 -0.022,631 -0.028,632 0.037,633 0.021,634 0.017,635 0.033,636 -0.174,637 0.213,638 -0.135,639 0.07,640 -0.243,641 -0.011,642 0.125,643 -0.075,644 0.189,645 0.065,646 0.168,647 0.121,648 1.471,649 2.003,650 0.8,651 18.934,652 0.993,653 1.123,654 4.056,655 16.448,656 0.69,657 3.367,658 3.714,659 4.007,660 4.29,661 4.543,662 4.575,663 4.644,664 4.754,665 4.844,666 4.828,667 5.935,668 0.654,669 329.44,670 3.367,671 4.92,672 5.784,673 6.673,674 7.551,675 8.443,676 9.324,677 10.216,678 11.099,679 11.991,680 11.4,684 2,686 1,690 2,694 4,695 10,696 2,700 4,702 22,711 2,714 1,718 44,719 22,720 3,721 28,723 47,724 20,725 18,726 6,727 10,729 4,730 6,741 18,742 2,753 1,754 1,757 19,758 5,759 4,760 5,764 5,769 0.5,776 1,781 4,785 2,802 2,806 1,810 25,811 2,816 1,821 1,836 12.5,837 8.1,838 5.389,839 2.425,840 4.503,841 1.597,842 1.052,843 3.902,844 12.049,845 3.689,846 4.382,847 5.05,848 5.697,849 6.312,850 6.595,851 6.966,852 7.348,853 7.745,854 7.762,855 0.857,856 42,857 9.165,859 3.889,860 7.613,861 17.653,863 14.603,865 2.113,866 52.833,869 1,870 176.567,871 125.297,872 102.49,877 125.297,878 176.567,879 102.49,880 8.396,881 2.106,882 160.557,883 33.571,884 18.93,885 4.227,886 176.567,888 176.567,889 227.787,893 176.567,897 6.149,898 188.067,899 33.571,901 176.567,902 102.49,903 125.297,906 176.567,907 22.138,908 106.283,910 99.365,911 176.567,912 102.49,913 125.297,915 0.588,916 0.35,917 0.196,918 0.108,919 21,920 9,921 0.064,922 3,923 2,924 1.2,925 3.702,926 214.023,927 0.2,928 20,929 114.096,933 15.67,934 6.226,935 2.966,936 4.095,937 102.49,938 20.797,939 8.283,943 2.938,945 65.794,946 404.353,947 39,956 43.694,957 49.398,958 0.256,959 0.605,960 0.761,961 0.899,962 0.939,963 0.955,964 4.916,965 1.325,966 5.778,967 3.888,968 4.394,969 5.069,970 0.918,971 6.605,972 4.333,973 6.155,974 1.25,975 7.347,976 3.407,977 4.007,978 4.956,979 0.325,980 7.516,981 3.9,982 7.481,983 1.004,984 9.015,985 2.802,986 6.004,987 7.4,988 0.671,989 10.628,990 5.888,991 8.845,992 0.844,993 10.74,994 2.565,995 6.415,996 8.115,997 0.393,998 12.353,999 6.264,1000 10.239,1001 0.035,1002 12.503,1003 1.979,1004 7.895,1005 10.029,1006 0.533,1007 14.974,1008 7.736,1009 11.657,1010 -0.15,1011 14.29,1012 0.09,1013 8.684,1014 11.153,1015 0.384,1016 17.037,1017 8.499,1018 13.093,1019 -0.448,1020 16.095,1021 -0.367,1022 9.95,1023 12.835,1024 0.438,1025 19.478,1026 9.754,1027 3.111,1028 -0.618,1029 17.913,1030 -1.157,1031 10.917,1032 14.158,1033 0.351,1034 21.687,1035 10.7,1036 3.034,1037 10.299,1038 19.742,1039 -1.478,1040 12.093,1041 15.736,1042 0.366,1043 24.057,1044 11.864,1045 2.665,1046 10.184,1047 21.578,1048 4.495,1049 13.143,1050 17.153,1051 0.312,1052 26.329,1053 12.895,1054 2.146,1055 8.407,1056 23.42,1057 4.43,1058 14.283,1059 18.685,1060 0.309,1061 28.671,1062 14.021,1063 2.031,1064 6.263,1065 25.268,1066 3.339,1067 15.37,1068 20.146,1069 0.273,1070 30.972,1071 15.091,1072 1.975,1073 5.866,1074 27.12,1075 2.921,1076 16.497,1077 21.658,1078 0.262,1079 33.303,1080 16.202,1081 1.618,1082 5.792,1083 28.974,1084 2.811,1085 17.602,1086 23.138,1087 0.236,1088 35.616,1089 17.29,1090 6906,1091 10933,1092 18.898,1093 30.358,1094 42.434,1095 42.112,1096 43.428,1097 42.126,1098 42.072,1099 58.694,1100 2.178,1101 123.085,1102 40.75,1103 5.383,1104 5.242,1105 6.223,1106 5.154,1107 5.111,1108 7.495,1109 1.605,1110 17.195,1111 5.045,1112 10.812,1113 1.515,1114 1.504,1115 1.551,1116 1.505,1117 1.503,1118 2.096,1119 0.078,1120 4.396,1121 1.455,1122 4.114,1123 4.143,1124 4.072,1125 4.062,1126 5.308,1127 4.059,1128 4.038,1129 4.068,1130 4.004,1131 3.958,1132 4.982,1133 3.967,1134 3.601,1135 3.672,1136 3.524,1137 3.444,1138 4.897,1139 3.448,1140 3.453,1141 3.504,1142 3.359,1143 3.319,1144 4.7,1145 3.332,1146 3.288,1147 3.367,1148 3.158,1149 3.115,1150 4.351,1151 3.117,1152 3.13,1153 3.236,1154 3.02,1155 2.931,1156 4.242,1157 2.931,1158 3.053,1159 3.125,1160 2.904,1161 2.872,1162 3.981,1163 2.88,1164 2.775,1165 2.875,1166 2.574,1167 2.588,1168 3.817,1169 2.568,1170 0.163,1171 0.116,1172 0.233,1173 0.146,1174 0.111,1175 4.552,1176 0.161,1177 3.242,1178 0.033,1179 6.534,1180 0.368,1181 4.082,1182 0.109,1183 3.111,1184 4.495,1185 0.916,1186 10.299,1187 3.045,1188 2.085,1189 2.065,1190 2.169,1191 2.152,1192 1.334,1193 2.156,1194 2.005,1195 1.978,1196 2.068,1197 2.108,1198 1.187,1199 2.101,1200 1.557,1201 1.503,1202 1.745,1203 1.769,1204 0.881,1205 1.762,1206 1.437,1207 1.38,1208 1.635,1209 1.591,1210 0.673,1211 1.609,1212 1.257,1213 1.188,1214 1.473,1215 1.491,1216 0.512,1217 1.503,1218 1.08,1219 1.012,1220 1.382,1221 1.386,1222 0.39,1223 1.371,1224 1.044,1225 0.959,1226 1.294,1227 1.261,1228 0.237,1229 1.307,1230 0.794,1231 0.7,1232 1.14,1233 1.032,1234 0.181,1235 1.072,1236 4.043,1238 5.38,1240 6.925,1242 8.566,1244 10.255,1246 2.067,1250 11.668,1252 0.794,1257 2.191,1262 28.795,1263 61.456,1264 145.412,1265 182.731,1266 215.95,1267 225.46,1268 229.46,1269 28.975,1270 7.546,1271 81.06,1272 81.06,1273 24,1274 12.52,1275 4.524,1276 3.585,1277 35.98,1278 90,1279 83,1280 0.197,1281 177.741,1282 290.12,1283 425.449,1284 20274,1286 17.389,1287 0.696,1288 0.559,1289 17.389,1290 13.977,1291 12.114,1292 0.433,1293 0.29,1294 8.04,1295 11.807,1296 7.805,1297 6.51,1298 12.114,1299 8.122,1300 11.163,1301 0.279,1302 0.154,1303 11.163,1304 6.163,1305 9.501,1306 0.176,1307 0.082,1308 9.501,1309 4.454,1310 8.265,1311 0.115,1312 0.044,1313 8.265,1314 3.173,1315 6.794,1316 0.073,1317 0.024,1318 6.794,1319 2.199,1320 0.307,1321 74.738,1322 0.23,1323 24.11,1324 0.545,1325 136,1326 329.56,1327 144.465,1328 336.767,1329 478.22,1330 316,1331 162,1332 370.789,1333 170.326,1334 383.825,1335 560.19,1336 361,1337 7.77}
{0 CHEMBL367882,1 1.641,2 15.813,3 2.492,4 6.212,5 120.678,6 7.882,7 0.514,8 4.122,9 4.235,10 3.725,11 3.625,12 5.314,13 3.635,14 4.63,15 4.781,16 4.077,17 3.994,18 5.82,19 3.984,20 4.858,21 5.042,22 4.137,23 4.084,24 6.043,25 4.061,26 4.894,27 5.09,28 3.97,29 4.011,30 6.145,31 3.959,32 4.823,33 5.053,34 3.76,35 3.931,36 5.914,37 3.847,38 4.708,39 4.923,40 3.707,41 3.89,42 5.738,43 3.792,44 4.676,45 4.901,46 3.679,47 3.819,48 5.783,49 3.724,50 4.609,51 4.871,52 3.569,53 3.707,54 5.543,55 3.612,56 0.11,57 0.825,58 10.24,59 4.626,60 16.874,61 5.682,62 0.424,63 1.266,64 19.548,65 7.968,66 34.336,67 9.926,68 0.548,69 1.447,70 26.957,71 9.724,72 52.755,73 12.565,74 0.732,75 1.415,76 29.614,77 10.034,78 106.461,79 12.695,80 0.717,81 1.308,82 28.948,83 9.178,84 89.352,85 12.23,86 0.515,87 1.189,88 24.771,89 9.263,90 62.484,91 12.343,92 0.55,93 1.182,94 23.898,95 8.255,96 70.076,97 11.509,98 0.367,99 1.072,100 23.811,101 7.862,102 42.407,103 11.346,104 17,105 48,106 0.269,107 0.62,108 0.768,109 0.839,110 0.839,111 0.839,112 3.501,113 0.875,114 -3.54,115 -3.51,116 -3.35,119 41.8,121 2,125 3,139 8,140 3,141 2,142 1,144 1,147 1,153 2,157 2,158 2,159 2,166 11,169 3,170 9,172 3,173 3,178 10,181 2,182 12,184 1,185 1,189 5,192 1,193 11,195 1,196 1,197 1,200 2,201 4,205 1,206 1,207 6,209 1,210 1,212 1,215 8,218 1,220 1,221 4,226 2,229 7,231 2,233 2,234 8,239 3,241 3,243 3,246 5,251 2,256 2,259 2,260 8,262 1,263 1,265 2,268 4,270 2,273 1854,274 21.69,275 21.69,276 21.69,277 21.69,278 21.69,279 19.251,280 25.667,281 12.895,282 22.185,283 17.24,284 17.24,285 17.24,286 17.24,287 17.24,288 13.502,289 28.786,290 6.119,291 18.018,292 4.14,293 1.995,294 1.091,295 0.655,296 0.655,297 0.655,298 4.198,301 1,302 1,303 1099,304 3.464,306 83.884,307 350.186,310 160.991,314 2.66,315 39.98,318 1,319 0.83,320 0.83,321 0.8,323 1,324 1,325 0.78,326 70.5,327 506,328 4.585,329 3.952,330 6.964,331 4.291,332 3.301,333 4.146,334 1.349,335 11.689,336 3.262,337 4.233,338 3.256,339 6.06,340 3.789,341 2.861,342 3.881,343 1.151,344 8.712,345 2.653,346 4.034,347 3.135,348 5.685,349 3.617,350 2.648,351 3.634,352 0.86,353 7.383,354 2.564,355 3.541,356 2.918,357 5.491,358 3.213,359 2.255,360 2.818,361 0.8,362 7.258,363 2.162,364 3.521,365 2.641,366 5.49,367 3.165,368 2.226,369 2.811,371 6.426,372 2.093,373 3.441,374 2.434,375 5.133,376 3.066,377 2.087,378 2.727,380 6.386,381 2.077,382 3.427,383 2.299,384 4.952,385 3.003,386 2.026,387 2.65,389 5.79,390 1.9,391 2.854,392 1.973,393 4.172,394 2.636,395 1.649,396 1.98,398 3.772,399 1.624,400 2.846,401 1.769,402 3.828,403 2.385,404 1.475,405 1.956,407 3.446,408 1.347,409 2.65,410 1.646,411 3.636,412 2.348,413 1.366,414 1.655,415 2.982,416 1.33,417 2.5,418 1.35,419 3.618,420 2,421 1,422 1.5,423 2.275,424 1,425 2.48,426 1.261,427 3.414,428 1.942,429 0.945,430 1.387,431 2.21,432 0.934,433 2.15,434 1.19,435 3.367,436 1.887,437 0.914,438 1.065,439 2.117,440 0.878,441 1.99,442 1,443 3.239,444 1.676,445 0.77,446 0.892,448 1.766,449 0.69,450 1.598,451 0.972,452 2.848,453 1.263,454 0.289,455 0.347,457 0.672,458 0.276,459 14.833,460 0.464,461 0.733,462 0.023,463 44.25,464 1.383,465 23,466 0.719,467 21.25,468 0.664,469 23.43,470 0.732,471 34.367,472 0.625,473 34.065,474 1.065,475 8.873,476 0.277,477 6.652,478 0.208,479 0.099,481 0.33,485 0.842,486 1.278,487 0.75,488 1.065,489 0.727,490 0.905,491 0.858,492 0.98,493 0.837,494 1.017,495 0.596,496 0.947,497 1.049,498 1.064,499 0.916,500 1.073,501 0.856,502 0.986,503 1.345,504 1.036,505 1.179,506 1.118,507 1.253,508 1.126,509 1.246,510 0.766,511 1.194,512 0.887,513 1.403,514 1.002,515 0.906,516 1.062,517 1.046,518 1.113,519 1.011,520 1.13,521 0.738,522 1.122,523 1.055,524 1.145,525 0.832,526 1.161,527 0.744,528 0.941,529 0.83,530 0.946,531 0.488,532 0.906,533 5.5,534 0.16,535 3.778,536 2.674,537 1.378,538 0.834,539 0.333,540 0.314,541 0.321,542 0.21,543 18170,544 53983,545 2.082,546 41.8,548 14,550 1,551 4,553 4,555 1.733,556 1.959,557 3.869,558 1.601,560 1,564 90.281,565 1.641,566 3.786,567 4.69,568 5.127,569 5.127,570 5.127,571 3.292,572 4.265,573 4.976,574 4.128,575 2047.61,576 8.636,577 33706.7,579 1,582 317.975,583 1.366,584 4.936,585 0.157,586 0.006,587 0.079,588 0.055,589 0.035,590 0.026,591 0.011,592 0.011,593 0.012,594 0.007,595 0.399,596 0.17,597 1,598 0.531,599 175.363,600 -0.097,601 -0.086,602 0.031,603 -0.021,604 -0.105,605 0.03,606 0.077,607 0.114,608 0.04,609 -0.001,610 0.063,612 0.002,613 -0.061,614 0.037,615 -0.074,616 0.03,617 -0.019,618 -0.121,619 -0.091,620 -0.174,621 -0.135,622 0.016,623 -0.165,624 -0.168,625 0.178,626 -0.172,627 0.08,628 -0.203,629 -0.02,630 -0.005,631 -0.151,632 -0.07,633 -0.074,634 -0.092,635 -0.092,636 0.108,637 -0.163,638 -0.077,639 -0.151,640 0.015,641 -0.15,642 0.016,643 -0.029,644 0.19,645 0.045,646 0.061,647 0.143,648 1.892,649 5.346,650 0.656,651 39.438,652 1.014,653 1.128,654 2.309,655 5.333,656 0.667,657 3.584,658 3.892,659 4.159,660 4.382,661 4.554,662 4.5,663 4.489,664 4.554,665 4.554,666 4.533,667 9.389,668 0.649,669 433.51,670 3.584,671 5.118,672 5.964,673 6.83,674 7.691,675 8.563,676 9.432,677 10.308,678 11.182,679 12.061,680 9.1,684 2,687 1,690 2,695 9,696 2,700 7,702 18,711 2,716 2,718 55,719 20,720 2,721 35,723 58,724 23,725 16,726 4,727 8,728 2,729 4,730 5,739 2,741 18,742 5,744 2,748 2,751 2,754 1,757 23,758 9,759 4,760 9,764 5,767 1,769 0.75,770 4,776 1,780 1,781 3,784 1,802 3,810 32,811 2,816 5,818 2,821 1,829 7.3,832 2,834 2,836 16.333,837 9.683,838 7.083,839 3.181,840 3.313,841 1.423,842 0.989,843 6.759,844 11.137,845 3.85,846 4.413,847 4.958,848 5.454,849 5.924,850 5.907,851 6.037,852 6.234,853 6.472,854 6.556,855 1,856 49,857 11.828,859 5.063,860 7.922,861 22.105,863 17.85,865 2.422,866 77.5,869 1,870 223.651,871 134.897,872 102.49,874 72.29,877 134.897,878 295.941,879 102.49,881 19.484,882 141.604,883 105.041,884 51.091,885 4.227,886 211.88,888 223.651,889 237.387,890 72.29,893 176.567,894 119.374,897 30.43,898 173.385,899 33.571,901 223.651,902 174.779,903 134.897,906 223.651,907 50.039,908 87.982,910 171.655,911 223.651,912 174.779,913 134.897,915 0.579,916 0.342,917 0.182,918 0.097,919 22,920 10,921 0.155,922 9,923 1,924 1.095,925 4.559,926 270.835,927 0.095,928 21,929 146,933 21.903,934 9.875,935 5.136,937 174.779,938 15.832,939 7.712,943 3.272,945 65.794,946 533.327,947 46,951 24.692,954 -0.451,956 55.771,957 62.066,958 0.284,959 0.655,960 0.811,961 0.887,962 0.887,963 0.887,964 5.078,965 1.649,966 5.938,967 5.79,968 4.575,969 5.1,970 2.295,971 6.732,972 4.496,973 6.269,974 1.475,975 7.489,976 3.772,977 4.111,978 4.832,979 0.325,980 7.621,981 4.01,982 7.564,983 1.366,984 9.145,985 3.446,986 6.151,987 7.234,988 2.502,989 10.737,990 6.004,991 8.895,992 1,993 10.864,994 2.982,995 6.538,996 7.779,997 0.931,998 12.521,999 6.381,1000 10.261,1001 0.945,1002 12.624,1003 2.275,1004 8.032,1005 9.656,1006 2.801,1007 15.175,1008 7.84,1009 11.651,1010 0.914,1011 14.416,1012 2.21,1013 8.832,1014 10.59,1015 1.621,1016 17.351,1017 8.636,1018 13.062,1019 0.77,1020 16.231,1021 2.117,1022 10.112,1023 12.235,1024 3.171,1025 19.863,1026 9.893,1027 3.301,1028 0.289,1029 18.064,1030 1.766,1031 11.112,1032 13.375,1033 2.316,1034 22.206,1035 10.893,1036 2.861,1037 11.689,1038 19.914,1039 0.672,1040 12.314,1041 14.905,1042 3.595,1043 24.676,1044 12.081,1045 2.648,1046 8.712,1047 21.777,1048 4.146,1049 13.409,1050 16.158,1051 2.996,1052 27.088,1053 13.175,1054 2.255,1055 7.383,1056 23.652,1057 3.881,1058 14.586,1059 17.627,1060 4.059,1061 29.547,1062 14.344,1063 2.226,1064 7.258,1065 25.537,1066 3.634,1067 15.726,1068 18.943,1069 3.659,1070 31.986,1071 15.482,1072 2.087,1073 6.426,1074 27.43,1075 2.818,1076 16.9,1077 20.38,1078 4.553,1079 34.442,1080 16.65,1081 2.026,1082 6.386,1083 29.331,1084 2.811,1085 18.061,1086 21.733,1087 4.307,1088 36.892,1089 17.808,1090 17044,1091 29538,1092 23.463,1093 36.699,1094 52.269,1095 54.476,1096 53.51,1097 51.696,1098 51.695,1099 66.977,1100 8.319,1101 145.924,1102 49.642,1103 5.545,1104 5.952,1105 6.729,1106 5.368,1107 5.301,1108 7.146,1109 2.549,1110 18.826,1111 5.262,1112 15.735,1113 1.493,1114 1.556,1115 1.529,1116 1.477,1117 1.477,1118 1.914,1119 0.238,1120 4.169,1121 1.418,1122 4.027,1123 4.048,1124 3.99,1125 3.932,1126 7.447,1127 3.941,1128 3.939,1129 3.964,1130 3.887,1131 3.852,1132 7.408,1133 3.853,1134 3.829,1135 3.877,1136 3.792,1137 3.64,1138 5.305,1139 3.676,1140 3.662,1141 3.723,1142 3.521,1143 3.523,1144 4.985,1145 3.512,1146 3.414,1147 3.456,1148 3.321,1149 3.21,1150 4.856,1151 3.233,1152 3.245,1153 3.294,1154 3.14,1155 3.029,1156 4.687,1157 3.045,1158 3.083,1159 3.182,1160 2.973,1161 2.843,1162 4.597,1163 2.858,1164 3.014,1165 3.085,1166 2.95,1167 2.824,1168 4.354,1169 2.835,1170 0.131,1171 0.113,1172 0.199,1173 0.123,1174 0.094,1175 4.585,1176 0.118,1177 3.952,1178 0.039,1179 6.964,1180 0.334,1181 4.291,1182 0.093,1183 3.301,1184 4.146,1185 1.349,1186 11.689,1187 3.262,1188 1.904,1189 1.883,1190 2.02,1191 2.021,1192 1.281,1193 2.017,1194 1.887,1195 1.868,1196 1.986,1197 1.959,1198 1.134,1199 1.968,1200 1.729,1201 1.685,1202 1.933,1203 1.95,1204 1.085,1205 1.922,1206 1.692,1207 1.633,1208 1.797,1209 1.883,1210 0.796,1211 1.89,1212 1.358,1213 1.319,1214 1.555,1215 1.627,1216 0.742,1217 1.599,1218 1.163,1219 1.12,1220 1.4,1221 1.443,1222 0.556,1223 1.425,1224 1.007,1225 0.994,1226 1.26,1227 1.345,1228 0.323,1229 1.334,1230 0.994,1231 0.927,1232 1.242,1233 1.244,1234 0.218,1235 1.248,1236 4.263,1238 5.572,1239 2.398,1240 7.074,1241 4.949,1242 8.664,1243 7.195,1244 10.301,1250 11.218,1252 2.553,1254 11.367,1257 1.304,1262 35.707,1263 90.281,1264 208.226,1265 257.975,1266 281.975,1267 281.975,1268 281.975,1269 65.748,1270 7.824,1271 135.35,1272 135.35,1273 23,1274 12.599,1275 4.392,1276 3.585,1277 52.594,1278 186,1279 160,1280 0.134,1281 219.576,1282 385.44,1283 527.525,1284 34398,1286 22.501,1287 0.703,1288 0.543,1289 22.501,1290 17.361,1291 15.525,1292 0.444,1293 0.292,1294 10.034,1295 14.838,1296 9.875,1297 8.161,1298 15.525,1299 10.205,1300 13.752,1301 0.286,1302 0.152,1303 13.752,1304 7.273,1305 11.747,1306 0.186,1307 0.08,1308 11.747,1309 5.042,1310 9.539,1311 0.121,1312 0.042,1313 9.539,1314 3.357,1315 7.413,1316 0.079,1317 0.024,1318 7.413,1319 2.226,1320 0.225,1321 98.098,1322 0.206,1323 31.194,1324 0.332,1325 166,1326 542.502,1327 186.313,1328 516.093,1329 699.03,1330 482,1331 194,1332 510.675,1333 214.619,1334 512.568,1335 751.64,1336 482,1337 5.217}
{0 CHEMBL368065,1 1.565,2 13.607,3 3.513,4 12.344,5 110.353,6 7.317,7 0.6,8 4.045,9 4.165,10 3.585,11 3.528,12 5.197,13 3.524,14 4.537,15 4.7,16 3.878,17 3.858,18 5.646,19 3.831,20 4.722,21 4.908,22 3.928,23 3.957,24 5.801,25 3.904,26 4.768,27 4.978,28 3.769,29 3.925,30 5.752,31 3.835,32 4.792,33 5.03,34 3.677,35 3.898,36 5.734,37 3.79,38 4.716,39 4.951,40 3.654,41 3.851,42 5.632,43 3.741,44 4.676,45 4.928,46 3.63,47 3.784,48 5.606,49 3.694,50 4.57,51 4.804,52 3.66,53 3.734,54 5.578,55 3.658,56 0.057,57 0.744,58 11.024,59 4.553,60 12.16,61 5.938,62 0.306,63 1.097,64 20.024,65 7.642,66 30.829,67 9.793,68 0.492,69 1.251,70 24.848,71 8.78,72 41.086,73 11.926,74 0.356,75 1.254,76 26.694,77 9.587,78 41.912,79 12.911,80 0.568,81 1.246,82 28.469,83 9.233,84 51.84,85 12.984,86 0.396,87 1.16,88 26.03,89 9.266,90 37.853,91 12.939,92 0.355,93 1.128,94 25.43,95 8.129,96 38.872,97 11.68,98 0.378,99 1.026,100 22.368,101 7.676,102 35.576,103 10.862,104 11,105 39,106 0.262,107 0.587,108 0.773,109 0.856,110 0.874,111 0.874,112 3.373,113 0.9,114 -3.93,115 -3.88,116 -3.68,119 40.4,121 2,124 1,125 2,139 8,140 2,141 3,142 1,144 1,147 1,157 2,158 2,159 2,166 11,169 1,170 4,172 3,173 3,178 11,181 3,182 7,184 1,185 1,189 8,193 4,195 1,196 1,197 1,200 2,201 4,205 1,206 1,207 5,209 1,210 1,212 1,215 4,218 1,220 1,221 7,226 2,229 4,231 2,234 4,239 2,241 5,243 2,245 2,246 3,248 1,249 1,251 2,254 7,256 2,259 2,260 3,262 1,263 1,265 1,268 7,270 1,273 1378,274 19.146,275 19.146,276 19.146,277 19.146,278 19.146,279 16.842,280 24.049,281 11.636,282 19.743,283 14.759,284 14.759,285 14.759,286 14.759,287 14.759,288 11.336,289 28.505,290 5.476,291 15.64,292 4.135,293 2.194,294 1.082,295 0.582,296 0.476,297 0.476,298 4.06,301 1,302 1,303 808,304 3.24,307 324.924,314 2.564,315 23.7,318 1,319 1,320 0.83,321 1,322 0.5,323 1,324 1,325 0.9,326 61,327 381,328 4.274,329 3.237,330 6.173,331 3.863,332 2.915,333 3.917,334 1.151,335 9.172,336 2.765,337 4.222,338 3.106,339 6.059,340 3.773,341 2.844,342 3.873,343 0.86,344 8.706,345 2.633,346 3.896,347 2.724,348 5.34,349 3.521,350 2.521,351 3.444,352 0.86,353 6.965,354 2.52,355 3.576,356 2.646,357 5.255,358 3.234,359 2.284,360 2.885,362 6.665,363 2.165,364 3.438,365 2.314,366 4.954,367 3.004,368 2.09,369 2.752,371 5.794,372 1.901,373 2.972,374 2.245,375 4.409,376 2.661,377 1.727,378 2.124,380 4.309,381 1.623,382 2.918,383 1.741,384 4.171,385 2.51,386 1.545,387 2.064,389 3.767,390 1.471,391 2.848,392 1.675,393 3.719,394 2.383,395 1.475,396 1.979,398 3.307,399 1.336,400 2.5,401 1.471,402 3.477,403 2.245,404 1.272,405 1.5,407 2.751,408 1.232,409 2.487,410 1.158,411 3.292,412 2,413 1,414 1.485,415 2.136,416 1,417 2.03,418 1,419 3.247,420 1.731,421 0.832,422 0.966,423 1.914,424 0.741,425 1.787,426 0.941,427 3.007,428 1.496,429 0.594,430 0.689,431 1.258,432 0.531,433 1.5,434 0.745,435 2.713,436 1.259,437 0.369,438 0.406,439 0.62,440 0.325,441 1.282,442 0.397,443 2.612,444 0.966,445 0.047,446 0.056,448 0.109,449 0.043,450 0.953,451 0.106,452 2.359,453 0.648,454 -0.279,455 -0.323,457 -0.596,458 -0.256,459 13.1,460 0.468,461 0.52,462 0.019,463 38.5,464 1.375,465 20.5,466 0.732,467 18,468 0.643,469 20.113,470 0.718,471 30.7,472 0.59,473 27.854,474 0.995,475 7.869,476 0.281,477 5.783,478 0.207,479 0.099,481 0.267,485 0.988,486 1.261,487 0.833,488 1.124,489 1.146,490 0.967,491 1.213,492 0.937,493 0.923,494 1.006,495 0.824,496 0.945,497 1.016,498 1.069,499 1.001,500 1.101,501 0.823,502 1.062,503 1.201,504 1.099,505 1.122,506 1.21,507 1.001,508 1.177,509 1.157,510 0.855,511 1.123,512 0.955,513 1.131,514 1.021,515 0.94,516 1.048,517 0.957,518 1.065,519 0.731,520 1.038,521 1.124,522 0.903,523 0.929,524 0.866,525 1.032,526 0.863,527 0.85,528 0.909,529 0.812,530 0.917,531 0.68,532 0.875,533 5,534 0.148,535 2.667,536 1.188,537 1.218,538 0.59,539 0.323,540 0.432,541 0.263,542 0.167,543 11284,544 30349,545 2.055,546 46.2,547 2,548 15,550 1,551 4,553 2,555 1.704,556 1.953,557 3.698,558 1.662,560 1,564 81.39,565 1.565,566 3.506,567 4.618,568 5.118,569 5.224,570 5.224,571 3.24,572 4.522,573 4.775,574 3.908,575 1477.18,576 8.273,577 21105.4,579 1,581 1,582 296.423,583 1.255,584 4.752,585 0.167,586 0.007,587 0.068,588 0.03,589 0.038,590 0.02,591 0.011,592 0.015,593 0.009,594 0.006,595 0.372,596 0.17,597 1,598 0.689,599 145.117,600 -0.087,601 -0.052,602 0.036,603 -0.038,604 -0.178,605 0.02,606 -0.026,607 0.133,608 0.027,609 0.031,610 0.103,611 0.028,612 0.139,613 -0.039,614 -0.035,615 -0.089,616 0.115,617 -0.092,618 -0.086,619 -0.136,620 -0.145,621 -0.199,622 -0.053,623 -0.191,624 -0.041,625 0.093,626 -0.12,627 0.016,628 -0.124,629 -0.049,630 0.046,631 -0.138,632 0.025,633 -0.048,634 0.074,635 -0.025,636 -0.107,637 0.037,638 0.073,639 0.102,640 -0.061,641 0.119,642 0.149,643 0.043,644 0.175,645 0.08,646 0.223,647 0.121,648 1.555,649 2.38,650 0.643,651 33.643,652 1.004,653 1.13,654 2.697,655 7.276,656 0.654,657 3.434,658 3.689,659 3.892,660 4.06,661 4.234,662 4.143,663 4.127,664 4.248,665 4.357,666 4.431,667 7.955,668 0.625,669 380.49,670 3.434,671 4.934,672 5.746,673 6.581,674 7.405,675 8.242,676 9.072,677 9.911,678 10.743,679 11.583,680 7.7,684 2,690 2,695 9,696 2,700 7,702 18,711 2,716 3,718 52,719 18,720 2,721 30,723 54,724 21,725 16,726 4,727 8,729 3,730 3,739 2,741 16,742 5,754 1,757 24,758 7,759 4,760 7,764 4,769 1,770 3,776 1,781 3,802 3,806 1,810 28,811 2,816 4,818 3,829 5.8,834 3,836 14.333,837 9.317,838 6.389,839 2.856,840 2.976,841 1.418,842 0.965,843 7.2,844 10.096,845 3.689,846 4.241,847 4.747,848 5.22,849 5.7,850 5.596,851 5.637,852 5.924,853 6.309,854 6.67,855 1,856 39,857 10.269,859 4.159,860 7.72,861 19.517,863 15.15,865 2.22,866 62.167,868 1,869 1,870 235.422,871 136.323,872 99.365,874 33,877 136.323,878 268.422,879 99.365,880 10.883,881 14.254,882 141.604,883 45.342,884 64.149,885 4.227,886 223.651,888 235.422,889 235.688,890 33,893 211.88,894 56.542,897 25.2,898 176.917,899 33.571,901 235.422,902 132.365,903 136.323,906 235.422,907 40.582,908 95.74,910 132.365,911 235.422,912 132.365,913 136.323,915 0.564,916 0.325,917 0.169,918 0.09,919 16,920 7,921 0.167,922 9,924 1,925 4.169,926 218.856,928 18,929 130.606,933 20.082,934 10.039,935 5.919,937 132.365,938 17.48,939 7.753,943 4.269,945 65.794,946 504.11,947 39,956 52.225,957 58.773,958 0.275,959 0.615,960 0.81,961 0.898,962 0.916,963 0.916,964 4.879,965 1.475,966 5.687,967 3.767,968 4.369,969 4.927,970 1.888,971 6.402,972 4.259,973 6.052,974 1.272,975 7.186,976 3.307,977 3.761,978 4.559,980 7.111,981 3.601,982 7.325,983 1,984 8.782,985 2.751,986 5.872,987 7.056,988 1.902,989 10.147,990 5.663,991 8.634,992 0.832,993 10.437,994 2.136,995 6.089,996 7.487,998 11.685,999 5.814,1000 9.974,1001 0.594,1002 12.129,1003 1.914,1004 7.627,1005 9.443,1006 1.983,1007 14.206,1008 7.319,1009 11.334,1010 0.369,1011 13.847,1012 1.258,1013 8.249,1014 10.264,1016 16.096,1017 7.865,1018 12.71,1019 0.047,1020 15.584,1021 0.62,1022 9.528,1023 11.964,1024 2.122,1025 18.425,1026 9.114,1027 2.915,1028 -0.279,1029 17.334,1030 0.109,1031 10.359,1032 13,1034 20.477,1035 9.866,1036 2.844,1037 9.172,1038 19.095,1039 -0.596,1040 11.516,1041 14.558,1042 2.306,1043 22.729,1044 10.987,1045 2.521,1046 8.706,1047 20.864,1048 3.917,1049 12.455,1050 15.72,1052 24.856,1053 11.849,1054 2.284,1055 6.965,1056 22.641,1057 3.873,1058 13.555,1059 17.197,1060 2.522,1061 27.077,1062 12.906,1063 2.09,1064 6.665,1065 24.422,1066 3.444,1067 14.55,1068 18.435,1070 29.241,1071 13.828,1072 1.727,1073 5.794,1074 26.208,1075 2.885,1076 15.624,1077 19.863,1078 2.759,1079 31.45,1080 14.853,1081 1.545,1082 4.309,1083 27.998,1084 2.752,1085 16.648,1086 21.147,1088 33.632,1089 15.807,1090 10892,1091 18050,1092 20.167,1093 34,1094 43.099,1095 43.967,1096 44.055,1097 42.977,1098 43.034,1099 56.28,1100 5.742,1101 114.947,1102 40.571,1103 5.174,1104 5.237,1105 5.975,1106 4.934,1107 4.915,1108 6.917,1109 2.302,1110 15.463,1111 4.765,1112 12.334,1113 1.437,1114 1.466,1115 1.469,1116 1.433,1117 1.434,1118 1.876,1119 0.191,1120 3.832,1121 1.352,1122 3.973,1123 3.997,1124 3.918,1125 3.885,1126 5.305,1127 3.884,1128 3.903,1129 3.933,1130 3.831,1131 3.836,1132 4.986,1133 3.833,1134 3.832,1135 3.877,1136 3.8,1137 3.64,1138 4.923,1139 3.677,1140 3.53,1141 3.587,1142 3.379,1143 3.38,1144 4.749,1145 3.369,1146 3.307,1147 3.357,1148 3.179,1149 3.059,1150 4.605,1151 3.079,1152 3.183,1153 3.254,1154 3.022,1155 2.929,1156 4.464,1157 2.935,1158 3.066,1159 3.169,1160 2.93,1161 2.806,1162 4.33,1163 2.822,1164 2.962,1165 3.043,1166 2.801,1167 2.737,1168 4.119,1169 2.744,1170 0.142,1171 0.108,1172 0.206,1173 0.129,1174 0.097,1175 4.274,1176 0.131,1177 3.237,1178 0.038,1179 6.173,1180 0.306,1181 3.863,1182 0.092,1183 2.915,1184 3.917,1185 1.151,1186 9.172,1187 2.765,1188 1.927,1189 1.9,1190 2.066,1191 2.031,1192 1.279,1193 2.037,1194 1.894,1195 1.875,1196 1.994,1197 2,1198 1.137,1199 2,1200 1.727,1201 1.684,1202 1.804,1203 1.943,1204 0.973,1205 1.909,1206 1.532,1207 1.474,1208 1.782,1209 1.716,1210 0.746,1211 1.742,1212 1.232,1213 1.177,1214 1.579,1215 1.541,1216 0.599,1217 1.55,1218 1.126,1219 1.063,1220 1.396,1221 1.419,1222 0.539,1223 1.41,1224 0.984,1225 0.91,1226 1.288,1227 1.337,1228 0.476,1229 1.332,1230 0.932,1231 0.835,1232 1.253,1233 1.209,1234 0.218,1235 1.229,1236 4.111,1238 5.38,1240 6.843,1242 8.393,1244 9.987,1246 1.614,1250 11.259,1252 2.803,1254 16.989,1262 32.498,1263 81.39,1264 182.33,1265 240.158,1266 266.158,1267 271.668,1268 271.668,1269 43.833,1270 7.12,1271 105.51,1272 105.51,1273 18,1274 12.15,1275 4.248,1276 3.322,1277 50.037,1278 133,1279 128,1280 0.178,1281 202.849,1282 348.69,1283 486.711,1284 12785,1286 19.769,1287 0.706,1288 0.564,1289 19.769,1290 15.798,1291 13.652,1292 0.455,1293 0.3,1294 8.84,1295 13.036,1296 8.628,1297 7.206,1298 13.652,1299 8.999,1300 11.629,1301 0.298,1302 0.159,1303 11.629,1304 6.189,1305 9.49,1306 0.198,1307 0.086,1308 9.49,1309 4.134,1310 7.488,1311 0.131,1312 0.047,1313 7.488,1314 2.695,1315 5.856,1316 0.086,1317 0.026,1318 5.856,1319 1.769,1320 0.292,1321 86.285,1322 0.223,1323 27.682,1324 0.459,1325 138,1326 431.121,1327 154.015,1328 409.863,1329 559.31,1330 386,1331 156,1332 408.426,1333 172.236,1334 413.226,1335 595.81,1336 386,1337 4.234}
{0 CHEMBL368645,1 1.681,2 10.75,3 1.385,4 1.919,5 106.648,6 7.926,7 0.548,8 4.01,9 4.127,10 3.626,11 3.455,12 5.217,13 3.486,14 4.506,15 4.673,16 3.988,17 3.826,18 5.661,19 3.85,20 4.623,21 4.756,22 4.147,23 4.022,24 5.788,25 4.032,26 4.803,27 4.969,28 4.164,29 4.103,30 5.986,31 4.071,32 4.937,33 5.146,34 3.996,35 4.071,36 5.978,37 4.013,38 4.846,39 5.076,40 3.761,41 3.93,42 5.834,43 3.845,44 4.728,45 4.999,46 3.61,47 3.794,48 5.596,49 3.686,50 4.56,51 4.821,52 3.546,53 3.651,54 5.525,55 3.554,56 0.122,57 0.75,58 9.185,59 3.724,60 13.032,61 4.694,62 0.496,63 1.121,64 18.467,65 6.244,66 35.325,67 7.78,68 0.458,69 1.347,70 18.184,71 6.944,72 22.852,73 8.943,74 0.558,75 1.512,76 23.139,77 9.211,78 39.676,79 12.101,80 0.733,81 1.524,82 30.622,83 9.477,84 56.595,85 12.865,86 0.727,87 1.341,88 28.942,89 8.779,90 53.005,91 11.949,92 0.497,93 1.138,94 27.625,95 8.746,96 40.25,97 12.831,98 0.453,99 0.985,100 22.756,101 7.474,102 38.345,103 10.959,104 35,105 45,106 0.284,107 0.66,108 0.753,109 0.777,110 0.787,111 0.816,112 3.375,113 0.823,114 -2.8,115 -2.81,116 -2.73,119 39.6,124 3,125 1,134 1,136 1,139 2,140 3,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 10,172 3,173 3,175 1,178 4,180 1,181 2,182 6,187 1,191 1,192 5,193 8,195 3,196 3,197 1,198 3,200 2,201 4,204 3,205 1,206 1,212 1,215 2,218 1,220 2,221 6,223 1,224 1,226 2,229 2,231 2,234 4,245 2,246 7,248 1,249 1,251 2,256 2,259 1,260 1,273 1082,274 19.143,275 19.143,276 19.143,277 19.143,278 19.143,279 16.956,280 28.284,281 10.869,282 19.988,283 15.101,284 15.101,285 15.101,286 15.101,287 15.101,288 11.505,289 39.735,290 4.857,291 16.192,292 3.904,293 1.681,294 1.126,295 0.985,296 0.928,297 0.756,298 4.071,300 1,301 1,302 1,303 649,304 2.915,307 257.696,311 195.863,314 1.714,315 26.434,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 62,327 301,328 4.681,329 3.419,330 6.891,331 4.227,332 3.253,333 4.636,334 0.916,335 11.527,336 3.172,337 4.444,338 3.31,339 6.555,340 4.039,341 3.094,342 4.122,343 0.86,344 10.388,345 2.917,346 4.027,347 3.018,348 6.126,349 3.673,350 2.737,351 3.5,352 0.86,353 8.979,354 2.561,355 3.743,356 2.59,357 5.797,358 3.373,359 2.431,360 3.07,361 0.86,362 7.862,363 2.285,364 3.463,365 2.555,366 5.19,367 2.978,368 2.061,369 2.874,370 0.172,371 6.118,372 1.907,373 3.375,374 2.183,375 5.102,376 2.972,377 2.043,378 2.697,380 5.935,381 1.867,382 3.355,383 2.056,384 5.01,385 2.903,386 1.976,387 2.604,389 5.799,390 1.824,391 3.007,392 1.991,393 4.489,394 2.502,395 1.538,396 2.107,398 4.226,399 1.48,400 2.694,401 1.65,402 4.373,403 2.371,404 1.437,405 1.735,407 4.095,408 1.337,409 2.291,410 1.523,411 3.702,412 1.911,413 1.072,414 1.179,415 2.217,416 0.893,417 2.098,418 0.983,419 3.45,420 1.713,421 0.768,422 1.02,423 1.887,424 0.723,425 1.576,426 0.916,427 2.904,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.46,434 0.878,435 2.859,436 1.159,437 0.318,438 0.34,439 0.414,440 0.265,441 1.379,442 0.239,443 2.705,444 0.984,445 0.055,446 0.072,448 0.137,449 0.051,450 1.069,451 0.084,452 2.658,453 0.593,454 -0.35,455 -0.436,457 -0.735,458 -0.326,459 12.9,460 0.461,461 0.708,462 0.025,463 40.25,464 1.438,465 20.5,466 0.732,467 19.75,468 0.705,469 20.712,470 0.74,471 30.3,472 0.631,473 31.701,474 1.132,475 8.279,476 0.296,477 5.27,478 0.188,479 0.178,481 0.419,485 1.016,486 1.434,487 0.75,488 1.15,489 1.143,490 0.921,491 1.292,492 0.754,493 0.748,494 0.626,495 0.825,496 0.592,497 0.903,498 1.283,499 0.861,500 1.065,501 0.823,502 0.961,503 0.663,504 1.176,505 0.951,506 1.296,507 0.615,508 1.215,509 1.331,510 1.103,511 1.212,512 1.079,513 1.246,514 1.122,515 1.312,516 0.865,517 1.306,518 1.037,519 1.235,520 1.152,521 0.821,522 0.863,523 0.856,524 0.921,525 0.694,526 0.904,527 0.638,528 0.913,529 0.789,530 0.983,531 0.686,532 0.941,533 6,534 0.206,535 3.556,536 2.563,537 2.627,538 1.042,539 0.664,540 0.436,541 0.282,542 0.294,543 9171,544 27368,545 2.072,546 41.7,548 14,549 1,550 1,551 4,555 1.711,556 1.909,557 3.369,558 1.733,559 1,560 1,564 80.664,565 1.681,566 3.904,567 4.459,568 4.6,569 4.657,570 4.829,571 2.914,572 4.379,573 4.78,574 3.519,575 1330.33,576 8.314,577 16952.2,579 1,582 268.078,583 1.497,584 4.723,585 0.194,586 0.01,587 0.079,588 0.049,589 0.053,590 0.025,591 0.021,592 0.016,593 0.011,594 0.013,595 0.47,596 0.17,597 1,598 0.961,599 138.934,600 -0.134,601 -0.221,602 0.047,603 -0.103,604 -0.225,605 0.002,606 -0.118,607 0.325,608 0.179,609 0.371,610 0.082,611 0.335,612 0.027,613 -0.11,614 -0.033,615 -0.029,616 -0.038,617 -0.032,618 0.205,619 -0.081,620 -0.081,621 -0.262,622 0.218,623 -0.249,624 -0.238,625 -0.132,626 -0.233,627 -0.099,628 -0.247,629 -0.158,630 -0.237,631 0.086,632 -0.304,633 -0.074,634 -0.285,635 -0.184,636 -0.003,637 -0.014,638 0.181,639 0.095,640 0.084,641 0.167,642 0.169,643 -0.043,644 0.231,645 0.037,646 0.186,647 0.124,648 1.559,649 2.069,650 0.714,651 24.878,652 1.016,653 1.136,654 1.572,655 2.47,656 0.661,657 3.466,658 3.829,659 4.174,660 4.5,661 4.771,662 4.89,663 5.063,664 5.215,665 5.403,666 5.513,667 6.241,668 0.645,669 380.45,670 3.466,671 5.03,672 5.916,673 6.828,674 7.729,675 8.644,676 9.55,677 10.466,678 11.374,679 12.29,680 12.5,684 2,686 1,690 3,694 2,695 3,696 3,700 8,702 17,711 2,714 1,716 3,718 48,719 18,720 1,721 31,723 51,724 19,725 13,726 4,727 2,728 2,729 4,730 7,741 15,742 4,744 1,749 2,753 1,754 1,757 20,758 9,759 4,760 9,764 6,769 0.5,770 3,775 1,776 1,781 4,785 2,795 1,802 2,806 3,810 28,811 2,816 1,818 3,821 1,829 6.3,834 3,836 14.667,837 9.633,838 6.278,839 2.436,840 3.905,841 1.489,842 0.999,843 4.869,844 11.894,845 3.726,846 4.394,847 5.069,848 5.724,849 6.332,850 6.694,851 7.126,852 7.554,853 8.031,854 8.36,855 1,856 52,857 10.246,859 4.314,860 7.774,861 19.262,863 15.439,865 2.274,866 63.667,870 188.338,871 114.652,872 119.275,874 33,877 114.652,878 221.337,879 119.275,880 32.649,881 11.153,882 94.223,883 62.128,884 74.318,885 15.998,886 164.795,888 188.338,889 233.927,890 33,893 190.053,894 33,897 13.052,898 159.327,899 59.833,901 188.338,902 152.275,903 114.652,906 188.338,907 35.479,908 82.297,910 149.151,911 188.338,912 152.275,913 114.652,915 0.583,916 0.369,917 0.216,918 0.118,919 23,920 11,921 0.078,922 4,923 2,924 1.2,925 3.797,926 256.847,927 0.2,928 20,929 126.606,933 18.59,934 7.334,935 3.201,936 1.183,937 152.275,938 5.56,939 12.627,943 4.953,945 65.794,946 455.265,947 40.5,952 3.917,956 48.778,957 54.524,958 0.301,959 0.699,960 0.798,961 0.824,962 0.834,963 0.865,964 4.985,965 1.538,966 5.927,967 5.799,968 4.511,969 5.081,970 1.938,971 6.806,972 4.388,973 6.225,974 1.437,975 7.529,976 4.226,977 4.205,978 5.047,979 0.325,980 7.828,981 4.048,982 7.565,983 1.072,984 9.228,985 4.095,986 6.172,987 7.39,988 1.656,989 10.955,990 5.959,991 8.942,992 0.768,993 10.982,994 2.217,995 6.661,996 8.159,997 0.393,998 12.778,999 6.417,1000 10.35,1001 0.396,1002 12.772,1003 1.887,1004 8.116,1005 10.002,1006 1.418,1007 15.435,1008 7.833,1009 11.779,1010 0.318,1011 14.586,1012 0.603,1013 8.971,1014 11.157,1015 0.384,1016 17.598,1017 8.657,1018 13.226,1019 0.055,1020 16.418,1021 0.414,1022 10.232,1023 12.801,1024 1.207,1025 20.095,1026 9.886,1027 3.253,1028 -0.35,1029 18.264,1030 0.137,1031 11.254,1032 14.145,1033 0.351,1034 22.403,1035 10.879,1036 3.094,1037 11.527,1038 20.121,1039 -0.735,1040 12.443,1041 15.708,1042 1.019,1043 24.845,1044 12.039,1045 2.737,1046 10.388,1047 21.987,1048 4.636,1049 13.539,1050 17.143,1051 0.312,1052 27.216,1053 13.107,1054 2.431,1055 8.979,1056 23.861,1057 4.122,1058 14.704,1059 18.676,1060 0.852,1061 29.642,1062 14.245,1063 2.061,1064 7.862,1065 25.741,1066 3.5,1067 15.834,1068 20.155,1069 0.273,1070 32.043,1071 15.348,1072 2.043,1073 6.118,1074 27.625,1075 3.07,1076 16.992,1077 21.677,1078 0.706,1079 34.466,1080 16.48,1081 1.976,1082 5.935,1083 29.515,1084 2.874,1085 18.138,1086 23.177,1087 0.236,1088 36.882,1089 17.6,1090 8855,1091 15417,1092 20.403,1093 31.728,1094 46.606,1095 47.568,1096 49.499,1097 46.225,1098 46.359,1099 60.816,1100 7.338,1101 140.374,1102 43.253,1103 5.538,1104 5.419,1105 6.433,1106 5.302,1107 5.253,1108 7.636,1109 1.776,1110 18.812,1111 5.172,1112 15.527,1113 1.503,1114 1.534,1115 1.597,1116 1.491,1117 1.495,1118 1.962,1119 0.237,1120 4.528,1121 1.395,1122 4.104,1123 4.14,1124 4.08,1125 3.997,1126 5.323,1127 4.013,1128 3.923,1129 3.939,1130 3.894,1131 3.813,1132 4.986,1133 3.829,1134 3.628,1135 3.682,1136 3.573,1137 3.441,1138 4.975,1139 3.468,1140 3.303,1141 3.365,1142 3.219,1143 3.09,1144 4.82,1145 3.108,1146 3.298,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.221,1153 3.294,1154 3.065,1155 2.976,1156 4.482,1157 2.986,1158 3.169,1159 3.252,1160 2.982,1161 2.893,1162 4.423,1163 2.893,1164 3.087,1165 3.198,1166 2.916,1167 2.808,1168 4.141,1169 2.825,1170 0.151,1171 0.11,1172 0.222,1173 0.136,1174 0.105,1175 4.681,1176 0.15,1177 3.419,1178 0.03,1179 6.891,1180 0.372,1181 4.227,1182 0.102,1183 3.253,1184 4.636,1185 0.916,1186 11.527,1187 3.172,1188 2.029,1189 2,1190 2.084,1191 2.155,1192 1.265,1193 2.134,1194 1.86,1195 1.848,1196 1.925,1197 1.998,1198 1.055,1199 1.974,1200 1.547,1201 1.495,1202 1.67,1203 1.768,1204 0.74,1205 1.745,1206 1.227,1207 1.164,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.225,1213 1.163,1214 1.57,1215 1.517,1216 0.572,1217 1.532,1218 1.176,1219 1.102,1220 1.524,1221 1.477,1222 0.556,1223 1.487,1224 1.144,1225 1.061,1226 1.397,1227 1.394,1228 0.464,1229 1.396,1230 1.003,1231 0.905,1232 1.279,1233 1.359,1234 0.194,1235 1.356,1236 4.143,1238 5.493,1240 7.062,1242 8.735,1244 10.462,1246 4.757,1250 11.744,1252 0.581,1254 16.296,1257 2.05,1262 30.96,1263 80.664,1264 187.395,1265 214.039,1266 220.794,1267 223.549,1268 231.814,1269 39.364,1270 7.989,1271 121.64,1272 121.64,1273 24,1274 12.803,1275 4.248,1276 3.392,1277 42.447,1278 107,1279 100,1280 0.202,1281 189.859,1282 323.73,1283 455.017,1284 31424,1286 19.836,1287 0.708,1288 0.563,1289 19.836,1290 15.762,1291 13.55,1292 0.437,1293 0.274,1294 8.29,1295 12.731,1296 8.026,1297 6.702,1298 13.55,1299 8.508,1300 12.106,1301 0.269,1302 0.138,1303 12.106,1304 6.19,1305 10.774,1306 0.168,1307 0.072,1308 10.774,1309 4.636,1310 9.726,1311 0.109,1312 0.037,1313 9.726,1314 3.332,1315 8.01,1316 0.068,1317 0.02,1318 8.01,1319 2.325,1320 0.313,1321 87.066,1322 0.221,1323 26.318,1324 0.566,1325 152,1326 490.412,1327 171.21,1328 464.955,1329 645.46,1330 438,1331 185,1332 485.594,1333 205.181,1334 494.064,1335 725.65,1336 459,1337 6.328}
{0 CHEMBL368735,1 1.618,2 18.5,3 4.138,4 17.122,5 161.966,6 7.605,7 0.558,8 4.393,9 4.503,10 4.065,11 3.943,12 5.518,13 3.905,14 4.899,15 5.046,16 4.365,17 4.313,18 6.096,19 4.261,20 5.128,21 5.291,22 4.486,23 4.474,24 6.297,25 4.398,26 5.275,27 5.474,28 4.398,29 4.476,30 6.423,31 4.386,32 5.271,33 5.481,34 4.296,35 4.438,36 6.297,37 4.347,38 5.209,39 5.413,40 4.233,41 4.416,42 6.269,43 4.3,44 5.285,45 5.541,46 4.178,47 4.344,48 6.241,49 4.217,50 5.129,51 5.362,52 4.083,53 4.226,54 6.128,55 4.123,56 0.138,57 1.061,58 18.114,59 7.327,60 27.508,61 8.703,62 0.381,63 1.603,64 29.608,65 12.098,66 59.907,67 14.668,68 0.511,69 2.015,70 40.803,71 15.364,72 59.894,73 18.713,74 0.716,75 2.155,76 48.442,77 17.114,78 103.45,79 21.429,80 0.767,81 2.059,82 46.788,83 16.2,84 97.981,85 20.952,86 0.642,87 2.03,88 43.709,89 16.196,90 88.815,91 21.004,92 0.79,93 2.04,94 50.463,95 17.109,96 97.839,97 23.106,98 0.675,99 1.811,100 42.347,101 13.711,102 82.332,103 18.038,104 54,105 60,106 0.249,107 0.54,108 0.694,109 0.774,110 0.814,111 0.835,112 3.717,113 0.988,114 -3.1,115 -3.1,116 -2.98,119 40.5,121 2,124 2,125 2,139 13,140 2,141 9,157 3,158 3,159 3,166 10,169 1,170 3,175 9,178 12,180 6,181 2,182 12,187 7,189 10,191 5,192 1,193 13,196 1,197 1,198 3,200 2,201 10,204 3,205 1,207 5,212 3,215 16,218 3,221 5,223 2,224 4,226 1,229 5,231 1,234 7,236 2,237 4,239 8,241 1,243 4,246 4,248 1,249 1,251 5,254 1,256 2,260 4,262 2,263 2,265 1,268 7,273 3424,274 26.736,275 26.736,276 26.736,277 26.736,278 26.736,279 23.496,280 38.384,281 15.633,282 27.615,283 21.062,284 21.062,285 21.062,286 21.062,287 21.062,288 16.047,289 51.521,290 7.236,291 22.344,292 4.592,293 2.695,294 1.696,295 1.171,296 0.912,297 0.777,298 4.407,303 1577,304 4.416,307 655.284,314 2.725,315 49.522,318 0.5,319 0.33,320 0.5,321 0.4,322 0.5,323 0.33,325 0.37,326 87,327 740,328 4.969,329 5.351,330 7.666,331 4.375,332 3.511,333 4.863,334 2.95,335 13.611,336 2.999,337 4.431,338 3.395,339 6.53,340 4.029,341 3.077,342 4.114,343 0.86,344 10.305,345 2.94,346 4.229,347 3.125,348 6.088,349 3.837,350 2.857,351 3.875,352 0.86,353 8.844,354 2.785,355 3.954,356 3.079,357 5.628,358 3.526,359 2.555,360 3.552,361 0.86,362 7.207,363 2.477,364 3.816,365 2.62,366 5.299,367 3.375,368 2.404,369 3.343,370 0.68,371 6.733,372 2.324,373 3.603,374 2.555,375 5.284,376 3.262,377 2.284,378 2.936,379 0.4,380 6.577,381 2.225,382 3.365,383 2.548,384 5.19,385 2.98,386 2.061,387 2.665,389 6.118,390 1.948,391 3.355,392 2.421,393 4.997,394 2.972,395 2.008,396 2.604,398 5.681,399 1.867,400 3.278,401 2.232,402 4.922,403 2.872,404 1.921,405 2.548,407 5.656,408 1.814,409 2.93,410 2.085,411 4.227,412 2.616,413 1.669,414 2.055,415 3.812,416 1.575,417 2.826,418 1.63,419 4.155,420 2.401,421 1.417,422 1.953,423 3.709,424 1.392,425 2.693,426 1.549,427 3.941,428 2.32,429 1.343,430 1.699,431 3.467,432 1.31,433 2.5,434 1.379,435 3.582,436 2,437 1.099,438 1.5,439 2.529,440 1,441 2.5,442 1.127,443 3.414,444 2,445 1,446 1.5,448 2.275,449 1,450 2.189,451 1,452 3.414,453 1.981,454 1,455 1.17,457 2.275,458 0.959,459 19.1,460 0.478,461 1.053,462 0.026,463 55.25,464 1.381,465 30.5,466 0.763,467 24.75,468 0.619,469 33.732,470 0.843,471 43.9,472 0.593,473 48.696,474 1.217,475 11.085,476 0.277,477 8.121,478 0.203,479 0.15,480 0.044,481 0.288,485 0.835,486 1.109,487 0.879,488 1.099,489 0.895,490 0.921,491 1.073,492 1.04,493 0.848,494 0.93,495 0.696,496 0.892,497 0.948,498 1.202,499 1.139,500 1.221,501 0.858,502 1.089,503 1.161,504 1.042,505 1.114,506 1.117,507 1.297,508 1.073,509 1.42,510 0.916,511 0.963,512 0.891,513 1.243,514 0.981,515 0.96,516 1.152,517 1.11,518 1.184,519 0.581,520 1.213,521 0.925,522 0.939,523 0.84,524 0.905,525 0.763,526 0.918,527 1.291,528 1.011,529 1.025,530 0.929,531 0.919,532 0.974,533 9.5,534 0.173,535 5.333,536 3.188,537 2.342,538 1.361,539 0.951,540 0.649,541 0.452,542 0.325,543 30611,544 85749,545 2.015,546 45.9,547 2,548 23,551 7,554 2,555 1.793,556 1.868,557 4.081,558 3.747,564 119.709,565 1.618,566 3.514,567 4.514,568 5.039,569 5.297,570 5.432,571 3.544,572 4.634,573 5.295,574 4.316,575 3366.32,576 9.301,577 63914.9,582 459.5,583 1.573,584 5.237,585 0.221,586 0.005,587 0.089,588 0.049,589 0.04,590 0.025,591 0.019,592 0.014,593 0.011,594 0.008,595 0.48,596 0.17,597 0.63,598 0.789,599 232.84,600 -0.035,601 0.106,602 0.137,603 0.047,604 -0.206,605 0.077,606 -0.029,607 0.029,608 0.098,609 0.119,610 0.142,611 0.095,612 0.041,613 -0.112,614 -0.063,615 -0.116,616 0.046,617 -0.095,618 -0.036,619 -0.045,620 -0.102,621 -0.106,622 -0.05,623 -0.095,624 -0.203,625 0.014,626 -0.07,627 0.037,628 -0.185,629 -0.013,630 0.004,631 -0.164,632 -0.179,633 -0.2,634 0.071,635 -0.223,636 0.076,637 -0.044,638 0.106,639 0.03,640 0.054,641 0.078,642 -0.142,643 -0.053,644 -0.066,645 -0.003,646 -0.075,647 -0.015,648 4.525,649 5.826,650 0.6,651 57.68,652 1.005,653 1.124,654 1.872,655 3.504,656 0.667,657 3.784,658 4.111,659 4.357,660 4.554,661 4.762,662 4.796,663 4.836,664 4.844,665 4.905,666 4.963,667 10.458,668 0.632,669 562.75,670 3.784,671 5.333,672 6.176,673 7.05,674 7.911,675 8.789,676 9.656,677 10.536,678 11.407,679 12.288,680 5.4,684 3,685 1,695 13,700 11,702 24,711 3,712 1,716 3,718 74,719 26,720 4,721 43,723 77,724 30,725 24,726 11,727 13,729 4,730 4,739 2,741 24,742 6,744 2,747 1,748 2,757 34,758 9,759 7,760 10,761 1,764 4,769 1,770 5,781 4,802 4,804 1,806 2,810 40,811 3,813 1,816 4,817 1,818 3,829 6.8,832 2,834 3,836 21.417,837 13.333,838 8.917,839 3.944,840 4.029,841 1.494,842 0.991,843 9.814,844 12.178,845 4.06,846 4.691,847 5.236,848 5.744,849 6.263,850 6.444,851 6.66,852 6.832,853 7.148,854 7.444,855 1,856 65,857 14.995,859 6.542,860 7.856,861 27.93,863 22.672,865 2.356,866 94.25,870 317.82,871 199,872 116.702,874 77.313,876 6.046,877 192.954,878 395.132,879 116.702,880 21.766,881 11.767,882 227.929,883 62.324,884 69.23,886 317.82,888 317.82,889 309.657,890 77.313,891 6.046,893 294.278,894 100.855,897 11.767,898 279.879,899 24.057,901 317.82,902 194.015,903 199,905 6.046,906 317.82,907 47.997,908 144.957,909 18.011,910 176.004,911 317.82,912 194.015,913 199,915 0.581,916 0.343,917 0.177,918 0.098,919 26,920 13,921 0.156,922 12,924 1,925 5.012,926 373.395,928 24,929 194.877,932 1,933 29.552,934 13.284,935 7.413,937 194.015,938 22.091,943 6.544,945 116.702,946 710.835,947 57,950 -3.609,951 25.652,956 74.374,957 83.188,958 0.261,959 0.566,960 0.727,961 0.811,962 0.853,963 0.875,964 5.298,965 2.008,966 6.184,967 6.118,968 4.796,969 5.38,970 3.182,971 7.02,972 4.683,973 6.534,974 1.921,975 7.771,976 5.681,977 4.511,978 5.4,980 8.189,981 4.272,982 7.876,983 1.669,984 9.473,985 5.656,986 6.45,987 7.677,988 5.051,989 11.252,990 6.194,991 9.263,992 1.417,993 11.251,994 3.812,995 6.995,996 8.521,998 13.327,999 6.562,1000 10.686,1001 1.343,1002 13.082,1003 3.709,1004 8.444,1005 10.325,1006 7.187,1007 16.022,1008 7.986,1009 12.139,1010 1.099,1011 14.954,1012 3.467,1013 9.365,1014 11.543,1016 18.439,1017 8.714,1018 13.614,1019 1,1020 16.858,1021 2.529,1022 10.647,1023 13.181,1024 9.348,1025 21.053,1026 9.936,1027 3.511,1028 1,1029 18.788,1030 2.275,1031 11.74,1032 14.578,1034 23.591,1035 10.84,1036 3.077,1037 13.611,1038 20.739,1039 2.275,1040 12.971,1041 16.157,1042 11.511,1043 26.191,1044 11.976,1045 2.857,1046 10.305,1047 22.706,1048 4.863,1049 14.141,1050 17.642,1052 28.772,1053 12.967,1054 2.555,1055 8.844,1056 24.687,1057 4.114,1058 15.364,1059 19.204,1060 13.675,1061 31.374,1062 14.067,1063 2.404,1064 7.207,1065 26.679,1066 3.875,1067 16.569,1068 20.732,1070 33.971,1071 15.101,1072 2.284,1073 6.733,1074 28.68,1075 3.552,1076 17.796,1077 22.293,1078 15.838,1079 36.575,1080 16.186,1081 2.061,1082 6.577,1083 30.687,1084 3.343,1085 19.019,1086 23.843,1088 39.179,1089 17.242,1090 29260,1091 49201,1092 28.027,1093 49.364,1094 63.399,1095 66.128,1096 66.279,1097 63.39,1098 63.4,1099 84.097,1100 13.22,1101 183.4,1102 59.912,1103 5.892,1104 7.351,1105 7.431,1106 5.491,1107 5.511,1108 7.863,1109 5.9,1110 21.57,1111 4.999,1112 24.014,1113 1.474,1114 1.538,1115 1.541,1116 1.474,1117 1.474,1118 1.956,1119 0.307,1120 4.265,1121 1.393,1122 4.135,1123 4.114,1124 4.754,1125 4.155,1126 7.715,1127 4.062,1128 4.005,1129 4.023,1130 3.963,1131 3.934,1132 6.999,1133 3.934,1134 3.861,1135 3.889,1136 3.812,1137 3.772,1138 5.183,1139 3.775,1140 3.84,1141 3.87,1142 3.776,1143 3.763,1144 5.107,1145 3.764,1146 3.636,1147 3.68,1148 3.685,1149 3.512,1150 4.973,1151 3.472,1152 3.489,1153 3.487,1154 3.412,1155 3.376,1156 4.955,1157 3.337,1158 3.303,1159 3.359,1160 3.172,1161 3.115,1162 4.726,1163 3.12,1164 3.298,1165 3.355,1166 3.144,1167 3.006,1168 4.58,1169 3.026,1170 0.116,1171 0.124,1172 0.178,1173 0.102,1174 0.082,1175 4.969,1176 0.113,1177 5.351,1178 0.069,1179 7.666,1180 0.317,1181 4.375,1182 0.07,1183 3.511,1184 4.863,1185 2.95,1186 13.611,1187 2.999,1188 2.028,1189 2.045,1190 2.062,1191 2.075,1192 1.266,1193 2.114,1194 1.967,1195 1.946,1196 2.023,1197 2.061,1198 1.248,1199 2.062,1200 1.84,1201 1.811,1202 1.964,1203 1.961,1204 1.182,1205 1.963,1206 1.821,1207 1.801,1208 1.914,1209 1.935,1210 1.016,1211 1.931,1212 1.597,1213 1.542,1214 1.83,1215 1.782,1216 0.999,1217 1.806,1218 1.36,1219 1.38,1220 1.59,1221 1.558,1222 0.63,1223 1.565,1224 1.254,1225 1.202,1226 1.567,1227 1.524,1228 0.584,1229 1.551,1230 1.227,1231 1.163,1232 1.403,1233 1.506,1234 0.578,1235 1.529,1236 4.466,1238 5.79,1240 7.311,1242 8.923,1244 10.582,1246 3.17,1250 17.607,1252 2.293,1253 3.285,1254 17.217,1262 46.749,1263 119.709,1264 260.069,1265 334.01,1266 372.87,1267 391.99,1268 401.99,1269 100.053,1270 8.149,1271 151.92,1272 160.3,1273 24,1274 12.825,1275 4.755,1276 3.907,1277 73.957,1278 258,1279 242,1280 0.136,1281 292.128,1282 509.3,1283 704.551,1284 49271,1286 28.7,1287 0.718,1288 0.583,1289 28.95,1290 23.332,1291 19.205,1292 0.447,1293 0.329,1294 12.609,1295 17.684,1296 12.127,1297 10.124,1298 19.994,1299 14.154,1300 17.363,1301 0.289,1302 0.186,1303 18.682,1304 11.14,1305 14.394,1306 0.187,1307 0.105,1308 15.735,1309 8.122,1310 11.319,1311 0.12,1312 0.058,1313 12.396,1314 5.448,1315 9.017,1316 0.078,1317 0.033,1318 9.943,1319 3.873,1320 0.226,1321 128.576,1322 0.189,1323 37.044,1324 0.344,1325 206,1326 617.808,1327 263.742,1328 615.298,1329 833.05,1330 570,1331 240,1332 578.524,1333 304.359,1334 628.289,1335 909.07,1336 585,1337 4.62}
{0 CHEMBL368759,1 1.737,2 16.258,3 2.472,4 6.109,5 120.972,6 7.921,7 0.545,8 4.126,9 4.236,10 3.862,11 3.642,12 5.255,13 3.617,14 4.636,15 4.789,16 4.124,17 3.983,18 5.955,19 3.941,20 4.846,21 5.024,22 4.145,23 4.091,24 6.026,25 4.018,26 4.915,27 5.121,28 3.961,29 4.021,30 6.075,31 3.921,32 4.833,33 5.073,34 3.826,35 3.928,36 5.886,37 3.819,38 4.701,39 4.91,40 3.805,41 3.878,42 5.847,43 3.772,44 4.69,45 4.924,46 3.722,47 3.829,48 5.756,49 3.72,50 4.64,51 4.894,52 3.683,53 3.735,54 5.65,55 3.621,56 0.154,57 0.856,58 13.997,59 5.153,60 25.167,61 6.184,62 0.53,63 1.261,64 22.879,65 8.779,66 68.85,67 10.584,68 0.577,69 1.455,70 32.164,71 10.86,72 61.284,73 13.098,74 0.742,75 1.424,76 36.063,77 11.327,78 94.487,79 13.784,80 0.681,81 1.301,82 33.566,83 9.964,84 92.715,85 13.058,86 0.674,87 1.187,88 28.275,89 9.553,90 71.686,91 12.353,92 0.445,93 1.2,94 25.679,95 8.273,96 63.732,97 11.288,98 0.419,99 1.075,100 27.964,101 8.704,102 48.703,103 11.501,104 26,105 45,106 0.284,107 0.617,108 0.779,109 0.837,110 0.849,111 0.849,112 3.47,113 1.01,114 -3.11,115 -3.1,116 -2.98,119 37.5,120 1,121 1,125 3,139 8,140 2,141 3,142 1,144 1,147 1,157 2,158 2,159 2,166 9,169 2,170 4,172 3,173 5,175 1,178 10,181 2,182 8,184 1,185 1,187 2,189 6,193 9,195 1,196 2,197 1,198 2,200 2,201 2,205 1,207 4,209 1,210 1,212 2,215 4,218 1,220 3,221 6,226 5,229 3,231 2,234 6,239 5,241 1,243 3,246 7,251 3,254 1,256 2,259 2,260 5,262 1,263 1,265 2,268 4,270 2,273 1786,274 20.455,275 20.455,276 20.455,277 20.455,278 20.455,279 17.863,280 24.374,281 12.147,282 21.057,283 16.255,284 16.255,285 16.255,286 16.255,287 16.255,288 12.368,289 25.62,290 5.783,291 17.263,292 4.07,293 2.039,294 1.049,295 0.692,296 0.621,297 0.621,298 4.151,301 1,302 1,303 1062,304 4.062,307 379.709,314 2.62,315 39.359,318 1,319 0.67,320 0.83,321 0.8,323 0.83,324 0.5,325 0.66,326 68.5,327 504,328 4.844,329 4.683,330 7.293,331 4.291,332 3.374,333 4.697,334 1.151,335 12.404,336 3.065,337 4.233,338 3.135,339 6.06,340 3.789,341 2.861,342 3.881,343 0.86,344 8.712,345 2.653,346 4.034,347 2.918,348 5.49,349 3.617,350 2.648,351 3.634,353 7.383,354 2.564,355 3.835,356 2.641,357 5.149,358 3.4,359 2.401,360 3.393,362 6.386,363 2.398,364 3.522,365 2.562,366 5.132,367 3.17,368 2.238,369 2.816,371 6.32,372 2.08,373 3.427,374 2.299,375 4.952,376 3.003,377 2.088,378 2.727,380 5.79,381 1.9,382 3.085,383 1.956,384 4.733,385 2.695,386 1.723,387 2.292,389 4.77,390 1.67,391 2.849,392 1.761,393 4.172,394 2.5,395 1.524,396 1.98,398 3.772,399 1.484,400 2.665,401 1.652,402 3.728,403 2.381,404 1.468,405 1.664,407 3.303,408 1.334,409 2.5,410 1.273,411 3.414,412 2,413 1,414 1.5,415 2.275,416 1,417 2.5,418 1.104,419 3.414,420 2,421 1,422 1.5,423 2.275,424 1,425 2.063,426 1,427 3.341,428 1.804,429 0.906,430 1.012,431 2.024,432 0.806,433 1.885,434 1,435 3.218,436 1.625,437 0.732,438 0.819,439 1.643,440 0.648,441 1.357,442 0.524,443 2.811,444 1.059,445 0.136,446 0.157,448 0.314,449 0.125,450 1.12,451 0.397,452 2.6,453 0.814,454 -0.106,455 -0.12,457 -0.243,458 -0.096,459 14.667,460 0.473,461 0.841,462 0.027,463 42.75,464 1.379,465 23,466 0.742,467 19.75,468 0.637,469 22.958,470 0.741,471 34.533,472 0.617,473 33.005,474 1.065,475 8.44,476 0.272,477 6.392,478 0.206,479 0.134,480 0.057,481 0.239,485 0.783,486 1.331,487 0.847,488 1.24,489 0.855,490 0.96,491 0.859,492 0.974,493 0.877,494 1.007,495 0.578,496 0.956,497 1.124,498 1.151,499 1.195,500 1.221,501 0.91,502 1.1,503 1.397,504 1.026,505 1.268,506 1.149,507 1.402,508 1.134,509 1.176,510 0.832,511 1.042,512 0.908,513 1.387,514 0.946,515 0.794,516 1.111,517 1.025,518 1.101,519 0.841,520 1.075,521 1.031,522 1.067,523 0.951,524 0.958,525 1.14,526 1.081,527 0.948,528 0.93,529 0.92,530 0.955,531 0.646,532 0.888,533 7.5,534 0.132,535 4,536 1.563,537 1.338,538 0.931,539 0.323,540 0.37,541 0.365,542 0.16,543 16003,544 48930,545 2.004,546 44.6,547 3,548 14,550 1,551 5,554 2,555 1.726,556 1.869,557 3.925,558 2.445,560 1,564 97.267,565 1.737,566 3.768,567 4.758,568 5.115,569 5.187,570 5.187,571 3.37,572 4.632,573 4.928,574 4.147,575 1928.27,576 8.544,577 31204.4,579 1,582 325.212,583 1.525,584 4.873,585 0.227,586 0.006,587 0.089,588 0.036,589 0.038,590 0.03,591 0.01,592 0.013,593 0.014,594 0.006,595 0.469,596 0.17,597 0.88,598 0.584,599 168.76,600 -0.018,601 -0.07,602 0.175,603 -0.05,604 -0.21,605 0.043,606 0.171,607 0.13,608 0.065,609 0.033,610 0.274,611 0.014,612 -0.051,613 -0.1,614 -0.115,615 -0.126,616 0.001,617 -0.114,618 -0.18,619 -0.071,620 -0.204,621 -0.123,622 -0.14,623 -0.162,624 -0.138,625 0.101,626 -0.048,627 0.052,628 -0.196,629 0.035,630 0.184,631 -0.169,632 -0.039,633 -0.074,634 0.106,635 -0.059,636 -0.151,637 -0.088,638 -0.077,639 -0.057,640 -0.159,641 -0.111,642 -0.039,643 -0.018,644 0.117,645 0.047,646 0.078,647 0.129,648 4.423,649 5.23,650 0.581,651 39.6,652 1.013,653 1.132,654 1.876,655 3.518,656 0.663,657 3.526,658 3.829,659 3.989,660 4.111,661 4.29,662 4.248,663 4.111,664 4.159,665 4.248,666 4.263,667 9.37,668 0.633,669 443.58,670 3.526,671 5.056,672 5.866,673 6.715,674 7.541,675 8.39,676 9.22,677 10.07,678 10.902,679 11.753,680 8.9,682 1,684 2,690 2,695 9,696 2,700 7,702 18,711 2,716 2,718 56,719 20,720 2,721 33,723 58,724 21,725 16,726 4,727 8,729 3,730 3,734 1,739 1,741 16,742 5,744 2,747 1,748 2,754 1,757 25,758 9,759 5,760 10,761 1,764 5,769 1,770 4,776 1,781 3,802 3,804 1,806 1,810 31,811 2,814 1,816 4,817 1,818 2,829 7.1,832 2,834 2,836 16.583,837 9.9,838 6.819,839 3.029,840 2.975,841 1.409,842 0.976,843 7.82,844 10.255,845 3.807,846 4.413,847 4.858,848 5.294,849 5.782,850 5.79,851 5.721,852 5.797,853 6.152,854 6.425,855 0.909,856 44,857 11.618,859 5.029,860 7.954,861 21.416,863 17.044,865 2.454,866 76.083,869 1,870 235.422,871 135.951,872 115.77,874 66.313,876 5.807,877 130.143,878 301.735,879 115.77,880 8.825,881 13.825,882 163.817,883 89.655,884 49.456,885 4.227,886 223.651,888 235.422,889 245.914,890 66.313,891 5.807,893 211.88,894 89.855,897 50.002,898 162.341,899 39.378,901 235.422,902 182.083,903 135.951,905 5.807,906 235.422,907 36.461,908 93.683,909 16.405,910 165.678,911 235.422,912 182.083,913 135.951,915 0.583,916 0.322,917 0.153,918 0.083,919 19,920 9,921 0.172,922 10,924 1,925 4.431,926 247.621,928 18,929 143.58,932 1,933 22.972,934 10.553,935 6.906,937 182.083,938 15.517,939 7.691,943 3.495,945 82.199,946 553.456,947 44,950 -3.507,951 24.46,956 56.731,957 63.401,958 0.299,959 0.649,960 0.819,961 0.881,962 0.893,963 0.893,964 5.027,965 1.524,966 5.866,967 4.77,968 4.511,969 5.1,970 1.635,971 6.645,972 4.393,973 6.253,974 1.468,975 7.42,976 3.772,977 4.205,978 5.121,980 7.774,981 4.001,982 7.586,983 1,984 9.089,985 3.303,986 6.129,987 7.376,988 1.723,989 10.738,990 5.874,991 8.963,992 1,993 10.832,994 2.275,995 6.635,996 8.206,998 12.762,999 6.263,1000 10.376,1001 0.906,1002 12.629,1003 2.275,1004 8.074,1005 9.997,1006 1.865,1007 15.367,1008 7.654,1009 11.816,1010 0.732,1011 14.467,1012 2.024,1013 8.951,1014 11.189,1016 17.718,1017 8.4,1018 13.279,1019 0.136,1020 16.336,1021 1.643,1022 10.217,1023 12.813,1024 2.048,1025 20.247,1026 9.603,1027 3.374,1028 -0.106,1029 18.23,1030 0.314,1031 11.267,1032 14.179,1034 22.707,1035 10.523,1036 2.861,1037 12.404,1038 20.144,1039 -0.243,1040 12.475,1041 15.74,1042 2.261,1043 25.223,1044 11.652,1045 2.648,1046 8.712,1047 22.073,1048 4.697,1049 13.606,1050 17.193,1052 27.72,1053 12.66,1054 2.401,1055 7.383,1056 24.015,1057 3.881,1058 14.8,1059 18.733,1060 2.495,1061 30.235,1062 13.763,1063 2.238,1064 6.386,1065 25.967,1066 3.634,1067 15.969,1068 20.229,1070 32.745,1071 14.816,1072 2.088,1073 6.32,1074 27.926,1075 3.393,1076 17.165,1077 21.764,1078 2.743,1079 35.261,1080 15.913,1081 1.723,1082 5.79,1083 29.891,1084 2.816,1085 18.353,1086 23.283,1088 37.776,1089 16.991,1090 15473,1091 27251,1092 21.553,1093 37.108,1094 48.265,1095 49.675,1096 49.451,1097 48.195,1098 48.197,1099 64.142,1100 4.022,1101 134.743,1102 45.452,1103 5.778,1104 6.683,1105 7.039,1106 5.372,1107 5.374,1108 7.697,1109 2.302,1110 19.553,1111 5.065,1112 17.317,1113 1.463,1114 1.505,1115 1.499,1116 1.46,1117 1.461,1118 1.944,1119 0.122,1120 4.083,1121 1.377,1122 4.08,1123 4.064,1124 4.735,1125 4.066,1126 7.717,1127 3.981,1128 3.941,1129 3.964,1130 3.892,1131 3.854,1132 6.999,1133 3.854,1134 3.83,1135 3.877,1136 3.792,1137 3.641,1138 5.305,1139 3.676,1140 3.713,1141 3.745,1142 3.727,1143 3.619,1144 4.985,1145 3.565,1146 3.52,1147 3.539,1148 3.416,1149 3.377,1150 4.856,1151 3.346,1152 3.242,1153 3.295,1154 3.137,1155 3.022,1156 4.703,1157 3.037,1158 3.078,1159 3.183,1160 2.934,1161 2.87,1162 4.597,1163 2.844,1164 3.04,1165 3.135,1166 2.852,1167 2.759,1168 4.358,1169 2.788,1170 0.147,1171 0.142,1172 0.221,1173 0.13,1174 0.102,1175 4.844,1176 0.142,1177 4.683,1178 0.035,1179 7.293,1180 0.376,1181 4.291,1182 0.093,1183 3.374,1184 4.697,1185 1.151,1186 12.404,1187 3.065,1188 1.973,1189 1.977,1190 2.027,1191 2.044,1192 1.239,1193 2.082,1194 1.903,1195 1.882,1196 2.017,1197 2.017,1198 1.16,1199 2.013,1200 1.728,1201 1.684,1202 1.866,1203 1.945,1204 1.121,1205 1.913,1206 1.648,1207 1.614,1208 1.796,1209 1.833,1210 0.763,1211 1.858,1212 1.431,1213 1.424,1214 1.531,1215 1.604,1216 0.744,1217 1.648,1218 1.169,1219 1.12,1220 1.421,1221 1.444,1222 0.571,1223 1.435,1224 1.051,1225 0.975,1226 1.312,1227 1.351,1228 0.498,1229 1.362,1230 0.957,1231 0.858,1232 1.256,1233 1.303,1234 0.269,1235 1.323,1236 4.205,1238 5.509,1240 6.997,1242 8.564,1244 10.171,1246 1.908,1250 11.194,1252 1.49,1253 2.578,1254 11.257,1262 35.421,1263 97.267,1264 211.019,1265 266.457,1266 286.457,1267 290.457,1268 290.457,1269 70.861,1270 7.281,1271 142.45,1272 150.83,1273 18,1274 12.314,1275 4.392,1276 3.585,1277 58.989,1278 178,1279 151,1280 0.156,1281 224.77,1282 386.99,1283 540.199,1284 16893,1286 22.269,1287 0.718,1288 0.578,1289 22.519,1290 17.931,1291 14.831,1292 0.449,1293 0.337,1294 9.588,1295 13.399,1296 9.234,1297 7.699,1298 15.652,1299 11.105,1300 13.664,1301 0.304,1302 0.191,1303 14.988,1304 8.59,1305 10.576,1306 0.2,1307 0.11,1308 11.683,1309 5.809,1310 7.852,1311 0.131,1312 0.062,1313 8.718,1314 3.696,1315 6.063,1316 0.084,1317 0.036,1318 6.78,1319 2.592,1320 0.263,1321 101.882,1322 0.215,1323 30.51,1324 0.387,1325 156,1326 516.05,1327 211.711,1328 513.514,1329 689.01,1330 474,1331 176,1332 473.421,1333 237.863,1334 513.207,1335 738.89,1336 479,1337 5.354}
{0 CHEMBL369501,1 1.662,2 7.882,3 1.675,4 2.805,5 71.994,6 8.611,7 0.667,8 3.484,9 3.63,10 3.151,11 3,12 4.715,13 2.996,14 3.908,15 4.082,16 3.499,17 3.347,18 5.142,19 3.307,20 4.113,21 4.317,22 3.558,23 3.438,24 5.269,25 3.363,26 4.129,27 4.358,28 3.307,29 3.312,30 5.268,31 3.188,32 4.037,33 4.324,34 2.994,35 3.136,36 5.025,37 3.006,38 3.762,39 4.014,40 3.112,41 3.032,42 4.807,43 2.945,44 3.688,45 3.896,46 3.233,47 2.938,48 5.022,49 2.878,50 3.57,51 3.839,52 2.622,53 2.688,54 4.645,55 2.553,56 0.078,57 0.465,58 5.047,59 1.975,60 11.188,61 2.633,62 0.168,63 0.661,64 8.897,65 3.62,66 17.768,67 4.842,68 0.227,69 0.718,70 13.591,71 4.447,72 21.603,73 6.011,74 0.311,75 0.643,76 18.03,77 4.555,78 36.075,79 6.238,80 0.297,81 0.562,82 16.473,83 4.011,84 35.174,85 5.809,86 0.132,87 0.466,88 10.551,89 3.327,90 15.816,91 4.75,92 0.227,93 0.422,94 10.992,95 2.517,96 26.427,97 3.591,98 0.16,99 0.337,100 10.96,101 2.629,102 19.723,103 3.727,104 10,105 24,106 0.321,107 0.691,108 0.806,109 0.886,110 0.9,111 0.9,112 2.907,113 0.899,114 -3.49,115 -3.46,116 -3.31,119 37.9,125 1,139 4,140 1,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,172 3,173 3,175 1,178 6,185 2,186 1,187 1,188 1,189 4,195 1,196 1,197 1,198 3,200 2,201 1,205 1,207 2,211 1,212 2,214 1,218 1,221 2,226 1,231 1,234 6,239 4,243 4,246 2,251 2,256 2,265 3,270 3,273 291,274 11.276,275 11.276,276 11.276,277 11.276,278 11.276,279 9.643,280 14.249,281 6.73,282 11.622,283 8.855,284 8.855,285 8.855,286 8.855,287 8.855,288 6.541,289 20.165,290 3.186,291 9.482,292 3.196,293 1.283,294 0.69,295 0.276,296 0.207,297 0.207,298 3.56,299 1,301 1,302 1,303 278,304 2.121,307 113.17,314 1.093,315 14.714,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 36.833,327 134,328 4.241,329 3.209,330 6.079,331 3.82,332 2.878,333 3.884,334 0.657,335 8.765,336 2.707,337 4.146,338 2.962,339 5.998,340 3.702,341 2.762,342 3.767,344 8.481,345 2.576,346 3.463,347 2.308,348 4.96,349 3.036,350 2.125,351 2.777,353 5.819,354 1.934,355 2.941,356 2.05,357 4.266,358 2.55,359 1.603,360 2.107,362 4.031,363 1.52,364 2.858,365 1.628,366 4.115,367 2.367,368 1.414,369 2.001,371 3.638,372 1.332,373 2.817,374 1.499,375 3.604,376 2.333,377 1.414,378 1.944,380 2.982,381 1.232,382 1.998,383 0.925,384 3.228,385 1.698,386 0.764,387 0.915,389 1.743,390 0.709,391 1.362,392 0.48,393 2.558,394 1.01,395 0.108,396 0.13,398 0.244,399 0.092,400 0.951,401 0.086,402 2.359,403 0.526,404 -0.325,405 -0.39,407 -0.706,408 -0.236,409 0.795,410 -0.314,411 2,412 0.392,413 -0.515,414 -0.621,415 -1.242,416 -0.466,417 0.617,418 -0.544,419 2,420 0.162,421 -0.792,422 -1.037,423 -1.891,424 -0.726,425 0.151,426 -0.989,427 1.609,428 -0.184,429 -1.123,430 -1.444,431 -2.956,432 -1.048,433 -0.096,434 -1.146,435 1.373,436 -0.452,437 -1.414,438 -1.841,439 -3.459,440 -1.141,441 -0.172,442 -1.274,443 1.067,444 -0.621,445 -1.414,446 -1.896,448 -4.036,449 -1.344,450 -0.244,451 -1.405,452 1,453 -0.673,454 -1.551,455 -2.039,457 -4.143,458 -1.437,459 8.214,460 0.483,461 0.421,462 0.025,463 24.75,464 1.456,465 13.5,466 0.794,467 11.25,468 0.662,469 9.731,470 0.572,471 18.186,472 0.627,473 15.095,474 0.888,475 5.031,476 0.296,477 3.133,478 0.184,479 0.184,481 0.304,485 1.069,486 1.258,487 0.629,488 0.769,489 1.218,490 0.756,491 0.629,492 1.013,493 0.651,494 0.903,495 0.498,496 0.907,497 0.956,498 1.096,499 0.961,500 1.04,501 0.835,502 1.055,503 1.207,504 1.103,505 1.453,506 1.36,507 1.15,508 1.331,509 1.183,510 0.65,511 1.02,512 0.758,513 1.22,514 0.866,515 0.779,516 0.989,517 0.619,518 0.733,519 0.685,520 0.724,521 0.967,522 1.229,523 1.124,524 1.218,525 1.052,526 1.082,527 1.278,528 0.991,529 1.261,530 1.047,531 1.289,532 1.039,533 3.5,534 0.012,535 2.222,536 0.938,537 0.716,538 0.403,539 0.245,540 0.149,541 0.147,542 0.03,543 2358,544 7980,545 1.994,546 41.4,548 6,550 1,551 5,555 1.566,556 1.855,557 2.977,558 3.117,560 1,561 1,562 1,564 48.199,565 1.662,566 3.575,567 4.168,568 4.582,569 4.651,570 4.651,571 2.419,572 3.852,573 4.064,574 3.079,575 418.743,576 6.851,577 3850.16,578 1,579 1,581 1,582 140.881,583 1.447,584 4.01,585 0.194,586 0.012,587 0.093,588 0.041,589 0.045,590 0.031,591 0.016,592 0.011,593 0.018,594 0.007,595 0.469,596 0.5,597 1,598 0.682,599 70.978,600 -0.258,601 -0.017,602 -0.025,603 0.123,604 -0.342,605 0.098,606 0.185,607 0.133,608 0.058,609 0.031,610 0.209,611 0.002,612 -0.009,613 -0.053,614 -0.047,615 -0.083,616 -0.012,617 -0.122,618 -0.111,619 -0.158,620 -0.309,621 -0.376,622 -0.12,623 -0.376,624 -0.2,625 0.227,626 -0.065,627 0.183,628 -0.214,629 0.119,630 0.029,631 -0.075,632 0.256,633 0.258,634 0.118,635 0.297,636 0.204,637 -0.239,638 0.044,639 -0.246,640 0.167,641 -0.152,642 -0.224,643 -0.144,644 -0.124,645 -0.054,646 -0.186,647 -0.034,648 1.509,649 1.922,650 0.706,651 10.007,652 1.013,653 1.141,654 2.257,655 5.094,656 0.687,657 2.944,658 3.219,659 3.401,660 3.526,661 3.664,662 3.526,663 3.401,664 3.434,665 3.497,666 3.367,667 4.747,668 0.657,669 249.73,670 2.944,671 4.443,672 5.252,673 6.089,674 6.913,675 7.751,676 8.579,677 9.417,678 10.247,679 11.085,680 17.2,684 2,685 1,690 2,695 5,696 2,700 5,702 12,711 2,712 1,717 1,718 29,719 12,720 1,721 18,723 30,724 11,725 10,726 2,727 4,729 2,730 2,731 1,741 10,742 1,754 1,757 12,758 5,759 5,760 6,761 1,764 5,769 1,776 1,781 2,802 2,807 1,810 17,811 2,816 1,817 1,828 1,836 9.167,837 4.876,838 3.806,839 1.44,840 2.231,841 1.378,842 0.994,843 3.661,844 8.131,845 3.219,846 3.807,847 4.304,848 4.751,849 5.215,850 5.066,851 5.011,852 5.34,853 5.752,854 6.019,855 1,856 23,857 6.178,859 2.514,860 7.879,861 11.505,863 8.888,865 2.379,866 40.444,867 0.001,870 82.398,871 62.728,872 117.376,873 39.149,877 62.728,878 121.546,879 117.376,881 2.106,882 103.699,883 63.353,884 18.49,885 4.227,886 70.627,887 39.149,888 82.398,889 180.104,891 39.149,893 82.398,897 13.052,898 115.47,899 90.73,901 82.398,902 117.376,903 101.877,906 82.398,907 15.776,908 46.952,909 18.011,910 138.514,911 82.398,912 117.376,913 101.877,915 0.577,916 0.329,917 0.16,918 0.082,919 11,920 5,921 0.1,922 3,924 1,925 2.967,926 110.174,928 12,929 69.487,933 11.951,934 5.207,935 2.987,937 117.376,938 9.123,939 7.723,943 2.801,945 83.805,946 301.651,947 24,956 29.367,957 33.096,958 0.342,959 0.736,960 0.858,961 0.943,962 0.957,963 0.957,964 4.407,965 0.108,966 5.22,967 1.743,968 3.892,969 4.489,970 0.623,971 5.953,972 3.755,973 5.608,974 -0.325,975 6.742,976 0.244,977 3.434,978 4.227,980 6.72,981 3.179,982 6.897,983 -0.515,984 8.362,985 -0.706,986 5.416,987 6.654,988 0.317,989 9.74,990 5.159,991 8.222,992 -0.792,993 10.038,994 -1.242,995 5.74,996 7.153,998 11.301,999 5.359,1000 9.574,1001 -1.123,1002 11.75,1003 -1.891,1004 7.209,1005 9.073,1006 0.149,1007 13.82,1008 6.828,1009 10.946,1010 -1.414,1011 13.485,1012 -2.956,1013 7.902,1014 9.943,1016 15.705,1017 7.407,1018 12.333,1019 -1.414,1020 15.237,1021 -3.459,1022 9.144,1023 11.619,1024 0.067,1025 18.028,1026 8.635,1027 2.878,1028 -1.551,1029 17.001,1030 -4.036,1031 10.016,1032 12.687,1034 20.057,1035 9.406,1036 2.762,1037 8.765,1038 18.773,1039 -4.143,1040 11.153,1041 14.229,1042 0.03,1043 22.293,1044 10.514,1045 2.125,1046 8.481,1047 20.551,1048 3.884,1049 12.112,1050 15.409,1052 24.389,1053 11.384,1054 1.603,1055 5.819,1056 22.334,1057 3.767,1058 13.199,1059 16.873,1060 0.013,1061 26.585,1062 12.431,1063 1.414,1064 4.031,1065 24.12,1066 2.777,1067 14.2,1068 18.119,1070 28.713,1071 13.353,1072 1.414,1073 3.638,1074 25.91,1075 2.107,1076 15.265,1077 19.537,1078 0.006,1079 30.89,1080 14.368,1081 0.764,1082 2.982,1083 27.701,1084 2.001,1085 16.287,1086 20.822,1088 33.033,1089 15.318,1090 2401,1091 4498,1092 11.731,1093 19.932,1094 26.32,1095 26.706,1096 27.168,1097 26.277,1098 26.137,1099 35.05,1100 1.315,1101 71.405,1102 24.201,1103 5.071,1104 5.209,1105 5.769,1106 4.889,1107 4.878,1108 6.884,1109 1.315,1110 15.016,1111 4.707,1112 8.335,1113 1.462,1114 1.484,1115 1.509,1116 1.46,1117 1.452,1118 1.947,1119 0.073,1120 3.967,1121 1.344,1122 3.947,1123 3.989,1124 4.015,1125 3.875,1126 5.295,1127 3.868,1128 3.829,1129 3.876,1130 3.823,1131 3.657,1132 4.981,1133 3.688,1134 3.288,1135 3.381,1136 3.304,1137 3.072,1138 4.93,1139 3.079,1140 3.053,1141 3.176,1142 3.163,1143 2.801,1144 4.482,1145 2.796,1146 2.887,1147 2.992,1148 2.901,1149 2.761,1150 4.343,1151 2.764,1152 2.876,1153 2.922,1154 2.734,1155 2.583,1156 4.032,1157 2.613,1158 2.591,1159 2.685,1160 2.487,1161 2.359,1162 3.74,1163 2.346,1164 2.25,1165 2.398,1166 2.145,1167 1.796,1168 3.567,1169 1.816,1170 0.236,1171 0.178,1172 0.338,1173 0.212,1174 0.16,1175 4.241,1176 0.216,1177 3.209,1178 0.037,1179 6.079,1180 0.487,1181 3.82,1182 0.15,1183 2.878,1184 3.884,1185 0.657,1186 8.765,1187 2.707,1188 1.91,1189 1.885,1190 2.01,1191 2.023,1192 1.156,1193 2.018,1194 1.746,1195 1.695,1196 1.825,1197 1.931,1198 0.82,1199 1.916,1200 1.239,1201 1.159,1202 1.491,1203 1.511,1204 0.588,1205 1.509,1206 0.961,1207 0.858,1208 1.26,1209 1.347,1210 0.172,1211 1.337,1212 0.868,1213 0.824,1214 1.138,1215 1.152,1217 1.161,1218 0.809,1219 0.697,1220 1.104,1221 1.018,1223 1.062,1224 0.551,1225 0.46,1226 0.826,1227 0.81,1229 0.835,1230 0.152,1232 0.597,1233 0.575,1235 0.569,1236 3.611,1238 4.89,1240 6.368,1242 7.933,1244 9.537,1247 6.033,1250 11.105,1252 0.553,1253 3.107,1262 19.042,1263 48.199,1264 103.662,1265 120.881,1266 132.881,1267 134.881,1268 134.881,1269 21.093,1270 5.9,1271 89.85,1272 89.85,1273 12,1274 11.653,1275 3.7,1276 2.807,1277 28.546,1278 49,1279 41,1280 0.295,1281 126.239,1282 206.71,1283 299.784,1284 2319,1285 3.4,1286 12.251,1287 0.721,1288 0.575,1289 12.751,1290 9.777,1291 8.165,1292 0.454,1293 0.3,1294 4.978,1295 7.6,1296 4.846,1297 4.04,1298 8.453,1299 5.396,1300 7.255,1301 0.302,1302 0.162,1303 7.626,1304 3.879,1305 5.807,1306 0.2,1307 0.091,1308 6.187,1309 2.633,1310 4.407,1311 0.134,1312 0.048,1313 4.676,1314 1.58,1315 3.235,1316 0.085,1317 0.025,1318 3.414,1319 0.96,1320 0.458,1321 54.057,1322 0.292,1323 17.275,1324 0.816,1325 84,1326 252.451,1327 107.29,1328 283.184,1329 375.83,1330 262,1331 95,1332 255.525,1333 114.121,1334 271.075,1335 389.64,1336 254,1337 4.146}
{0 CHEMBL369645,1 1.621,2 14.152,3 2.883,4 8.314,5 125.802,6 7.716,7 0.5,8 4.167,9 4.283,10 3.753,11 3.671,12 5.348,13 3.675,14 4.683,15 4.843,16 4.107,17 4.05,18 5.839,19 4.032,20 4.898,21 5.077,22 4.197,23 4.171,24 6.05,25 4.143,26 4.993,27 5.192,28 4.093,29 4.147,30 6.227,31 4.092,32 4.963,33 5.177,34 3.922,35 4.091,36 6.036,37 4.01,38 4.887,39 5.106,40 3.847,41 4.041,42 5.893,43 3.945,44 4.891,45 5.129,46 3.848,47 3.974,48 5.937,49 3.87,50 4.789,51 5.034,52 3.784,53 3.902,54 5.749,55 3.805,56 0.097,57 0.863,58 11.213,59 4.962,60 15.968,61 6.244,62 0.438,63 1.331,64 21.542,65 8.563,66 36.378,67 10.923,68 0.455,69 1.553,70 27.833,71 10.34,72 45.638,73 13.564,74 0.703,75 1.609,76 32.556,77 10.967,78 108.814,79 14.35,80 0.727,81 1.502,82 32.926,83 10.895,84 86.884,85 14.288,86 0.488,87 1.432,88 29.707,89 10.515,90 70.68,91 14.196,92 0.759,93 1.367,94 31.396,95 10.696,96 83.68,97 15.01,98 0.551,99 1.267,100 28.127,101 9.658,102 51.815,103 13.725,104 27,105 50,106 0.263,107 0.62,108 0.786,109 0.858,110 0.858,111 0.858,112 3.531,113 0.883,114 -3.75,115 -3.71,116 -3.53,119 41.4,121 3,124 1,125 2,139 7,140 4,141 2,142 1,144 1,147 1,153 2,157 2,158 2,159 2,166 12,169 3,170 10,172 3,173 3,175 1,178 11,180 1,181 1,182 14,187 1,189 7,191 1,192 1,193 13,195 1,196 1,197 1,198 2,200 2,201 4,204 2,205 1,206 1,207 11,212 3,215 7,218 3,221 4,226 2,229 8,231 2,233 4,234 3,236 1,237 1,239 2,241 5,243 2,245 3,246 4,248 1,249 1,251 1,254 1,256 1,260 8,262 1,263 1,265 1,268 2,270 1,273 2057,274 22.353,275 22.353,276 22.353,277 22.353,278 22.353,279 19.914,280 28.255,281 13.163,282 22.899,283 17.672,284 17.672,285 17.672,286 17.672,287 17.672,288 13.862,289 34.275,290 6.142,291 18.425,292 4.237,293 2.03,294 1.007,295 0.565,296 0.565,297 0.565,298 4.226,301 1,302 1,303 1010,304 3.536,306 81.223,307 343.008,310 156.772,314 2.208,315 41.411,318 1,319 0.83,320 0.83,321 0.8,322 0.5,323 1,324 1,325 0.85,326 72.5,327 467,328 4.585,329 3.952,330 6.964,331 4.291,332 3.301,333 4.146,334 1.349,335 11.689,336 3.262,337 4.307,338 3.256,339 6.188,340 3.913,341 2.949,342 3.955,343 0.86,344 9.235,345 2.847,346 4.197,347 3.245,348 6.073,349 3.765,350 2.82,351 3.84,352 0.86,353 8.782,354 2.662,355 3.593,356 3.062,357 5.685,358 3.227,359 2.277,360 2.922,361 0.8,362 7.258,363 2.163,364 3.54,365 2.539,366 5.491,367 3.207,368 2.243,369 2.812,370 0.68,371 6.63,372 2.151,373 3.441,374 2.436,375 5.247,376 3.066,377 2.026,378 2.662,380 6.426,381 2.093,382 3.363,383 2.303,384 4.915,385 2.94,386 2.001,387 2.65,389 5.631,390 1.869,391 2.977,392 2.171,393 4.419,394 2.725,395 1.789,396 2.1,398 4.378,399 1.678,400 2.838,401 1.943,402 4.127,403 2.486,404 1.52,405 1.952,407 3.654,408 1.454,409 2.823,410 1.593,411 3.817,412 2.351,413 1.418,414 1.95,415 3.364,416 1.32,417 2.617,418 1.508,419 3.628,420 2.32,421 1.336,422 1.621,423 2.952,424 1.311,425 2.48,426 1.35,427 3.618,428 1.942,429 0.914,430 1.387,431 2.21,432 0.934,433 2.123,434 1.261,435 3.328,436 1.835,437 0.868,438 1.013,439 1.954,440 0.829,441 1.882,442 1.104,443 3.137,444 1.594,445 0.685,446 0.778,448 1.35,449 0.614,450 1.592,451 0.939,452 2.932,453 1.275,454 0.33,455 0.394,457 0.745,458 0.308,459 15.333,460 0.465,461 0.784,462 0.024,463 44.75,464 1.356,465 23,466 0.697,467 21.75,468 0.659,469 26.349,470 0.798,471 35.667,472 0.615,473 35.981,474 1.09,475 8.975,476 0.272,477 6.999,478 0.212,479 0.128,481 0.352,485 0.836,486 1.287,487 0.767,488 1.082,489 0.72,490 0.927,491 0.857,492 0.918,493 0.815,494 0.938,495 0.593,496 0.888,497 0.989,498 1.153,499 0.901,500 1.103,501 0.864,502 1.001,503 1.245,504 1.018,505 1.144,506 1.093,507 1.213,508 1.098,509 1.395,510 0.922,511 1.22,512 0.984,513 1.331,514 1.064,515 1.08,516 1.092,517 1.145,518 1.159,519 1.056,520 1.171,521 0.743,522 0.973,523 0.932,524 1.043,525 0.663,526 1.041,527 0.706,528 0.958,529 0.86,530 0.999,531 0.452,532 0.977,533 6,534 0.263,535 4,536 3.236,537 1.769,538 0.841,539 0.597,540 0.405,541 0.276,542 0.305,543 17491,544 50880,545 2.061,546 43.1,547 2,548 14,550 1,551 4,553 4,555 1.748,556 1.922,557 3.739,558 1.573,560 1,564 94.018,565 1.621,566 3.828,567 4.851,568 5.293,569 5.293,570 5.293,571 3.168,572 4.597,573 5.021,574 3.971,575 2096.69,576 8.766,577 33459.1,579 1,582 339.763,583 1.434,584 4.971,585 0.167,586 0.008,587 0.08,588 0.061,589 0.039,590 0.022,591 0.017,592 0.012,593 0.008,594 0.009,595 0.423,596 0.17,597 1,598 0.718,599 179.105,600 -0.088,601 -0.084,602 0.033,603 -0.021,604 -0.095,605 0.028,606 0.077,607 0.179,608 0.078,609 0.088,610 0.067,611 0.075,612 -0.013,613 -0.12,614 0.029,615 -0.085,616 0.003,617 -0.025,618 -0.103,619 -0.027,620 -0.16,621 -0.115,622 0.015,623 -0.141,624 -0.228,625 0.018,626 -0.213,627 0.002,628 -0.203,629 -0.088,630 -0.141,631 -0.14,632 -0.172,633 -0.151,634 -0.153,635 -0.166,636 0.231,637 -0.077,638 0.084,639 -0.042,640 0.118,641 -0.018,642 0.162,643 -0.043,644 0.143,645 0.002,646 0.094,647 0.052,648 1.906,649 5.439,650 0.636,651 36.283,652 1.011,653 1.129,654 2.52,655 6.352,656 0.663,657 3.611,658 3.932,659 4.22,660 4.466,661 4.644,662 4.615,663 4.654,664 4.718,665 4.71,666 4.718,667 8.449,668 0.642,669 447.54,670 3.611,671 5.153,672 6.009,673 6.887,674 7.758,675 8.641,676 9.519,677 10.405,678 11.287,679 12.174,680 8.6,684 2,687 1,690 2,695 8,696 2,700 8,702 18,711 2,716 2,718 58,719 20,720 2,721 36,723 61,724 24,725 16,726 5,727 7,728 2,729 4,730 5,739 3,741 18,742 6,744 2,748 2,751 2,754 1,757 25,758 9,759 4,760 9,764 5,767 1,769 0.75,770 4,776 1,780 1,781 3,784 1,802 3,806 1,810 33,811 2,816 5,818 2,821 1,829 6.9,832 2,834 2,836 17.167,837 10.6,838 7.361,839 3.34,840 3.358,841 1.426,842 0.985,843 6.992,844 11.237,845 3.871,846 4.449,847 5.012,848 5.534,849 6.017,850 6.075,851 6.298,852 6.558,853 6.79,854 6.921,855 1,856 53,857 12.21,859 5.22,860 7.899,861 22.879,863 18.524,865 2.399,866 79.167,869 1,870 247.193,871 137.431,872 102.49,874 72.29,877 137.431,878 319.483,879 102.49,880 10.883,881 17.426,882 132.128,883 105.041,884 54.276,885 4.227,886 235.422,888 247.193,889 239.921,890 72.29,893 200.109,894 119.374,897 28.373,898 177.978,899 33.571,901 247.193,902 174.779,903 137.431,906 247.193,907 51.167,908 89.389,910 171.655,911 247.193,912 174.779,913 137.431,915 0.579,916 0.35,917 0.192,918 0.102,919 23,920 11,921 0.148,922 9,923 1,924 1.095,925 4.478,926 292.509,927 0.095,928 21,929 156.465,933 22.867,934 10.09,935 5.038,937 174.779,938 14.14,939 7.987,943 4.342,945 65.794,946 559.404,947 47,951 24.877,954 -0.478,956 58.654,957 65.481,958 0.277,959 0.653,960 0.828,961 0.904,962 0.904,963 0.904,964 5.109,965 1.789,966 5.994,967 5.631,968 4.615,969 5.136,970 2.27,971 6.815,972 4.544,973 6.309,974 1.52,975 7.563,976 4.378,977 4.205,978 4.934,979 0.325,980 7.745,981 4.114,982 7.616,983 1.418,984 9.234,985 3.654,986 6.217,987 7.296,988 2.324,989 10.867,990 6.088,991 8.959,992 1.336,993 10.967,994 3.364,995 6.648,996 7.9,997 0.931,998 12.658,999 6.505,1000 10.336,1001 0.914,1002 12.739,1003 2.952,1004 8.125,1005 9.748,1006 2.551,1007 15.31,1008 7.954,1009 11.736,1010 0.868,1011 14.539,1012 2.21,1013 8.953,1014 10.731,1015 1.621,1016 17.473,1017 8.771,1018 13.156,1019 0.685,1020 16.36,1021 1.954,1022 10.224,1023 12.357,1024 2.911,1025 19.974,1026 10.023,1027 3.301,1028 0.33,1029 18.197,1030 1.35,1031 11.238,1032 13.534,1033 2.316,1034 22.3,1035 11.028,1036 2.949,1037 11.689,1038 20.048,1039 0.745,1040 12.434,1041 15.051,1042 3.359,1043 24.758,1044 12.21,1045 2.82,1046 9.235,1047 21.91,1048 4.146,1049 13.532,1050 16.328,1051 2.996,1052 27.154,1053 13.301,1054 2.277,1055 8.782,1056 23.782,1057 3.955,1058 14.704,1059 17.79,1060 3.86,1061 29.602,1062 14.462,1063 2.243,1064 7.258,1065 25.662,1066 3.84,1067 15.84,1068 19.122,1069 3.659,1070 32.03,1071 15.593,1072 2.026,1073 6.63,1074 27.55,1075 2.922,1076 17.008,1077 20.555,1078 4.393,1079 34.478,1080 16.752,1081 2.001,1082 6.426,1083 29.444,1084 2.812,1085 18.164,1086 21.917,1087 4.307,1088 36.921,1089 17.902,1090 16555,1091 28387,1092 23.868,1093 38.46,1094 53.912,1095 56.265,1096 55.805,1097 53.388,1098 53.387,1099 68.88,1100 9.098,1101 153.405,1102 51.401,1103 5.547,1104 5.952,1105 6.725,1106 5.36,1107 5.301,1108 7.146,1109 2.549,1110 18.826,1111 5.262,1112 17.626,1113 1.498,1114 1.563,1115 1.55,1116 1.483,1117 1.483,1118 1.913,1119 0.253,1120 4.261,1121 1.428,1122 4.032,1123 4.055,1124 3.994,1125 3.936,1126 7.447,1127 3.945,1128 3.971,1129 3.998,1130 3.927,1131 3.884,1132 7.408,1133 3.89,1134 3.81,1135 3.852,1136 3.772,1137 3.647,1138 5.291,1139 3.672,1140 3.66,1141 3.72,1142 3.519,1143 3.521,1144 4.98,1145 3.51,1146 3.408,1147 3.452,1148 3.312,1149 3.207,1150 4.915,1151 3.229,1152 3.304,1153 3.364,1154 3.174,1155 3.064,1156 4.687,1157 3.084,1158 3.14,1159 3.235,1160 2.973,1161 2.883,1162 4.474,1163 2.888,1164 3.077,1165 3.141,1166 2.972,1167 2.851,1168 4.45,1169 2.858,1170 0.127,1171 0.11,1172 0.193,1173 0.119,1174 0.092,1175 4.585,1176 0.115,1177 3.952,1178 0.037,1179 6.964,1180 0.325,1181 4.291,1182 0.091,1183 3.301,1184 4.146,1185 1.349,1186 11.689,1187 3.262,1188 1.933,1189 1.912,1190 2.033,1191 2.049,1192 1.282,1193 2.042,1194 1.887,1195 1.868,1196 1.986,1197 1.959,1198 1.203,1199 1.968,1200 1.738,1201 1.695,1202 1.939,1203 1.935,1204 1.085,1205 1.925,1206 1.686,1207 1.628,1208 1.809,1209 1.875,1210 0.873,1211 1.871,1212 1.353,1213 1.314,1214 1.574,1215 1.621,1216 0.781,1217 1.594,1218 1.236,1219 1.174,1220 1.55,1221 1.537,1222 0.573,1223 1.548,1224 1.086,1225 1.003,1226 1.363,1227 1.397,1228 0.376,1229 1.394,1230 1.014,1231 0.994,1232 1.252,1233 1.296,1234 0.326,1235 1.289,1236 4.29,1238 5.609,1239 2.398,1240 7.125,1241 4.949,1242 8.732,1243 7.195,1244 10.387,1246 1.579,1250 11.498,1252 2.581,1254 11.344,1257 1.297,1262 37.234,1263 94.018,1264 222.006,1265 281.357,1266 307.008,1267 307.008,1268 307.008,1269 71.792,1270 7.879,1271 135.35,1272 135.35,1273 23,1274 12.706,1275 4.392,1276 3.585,1277 54.685,1278 169,1279 154,1280 0.152,1281 229.168,1282 402.74,1283 550.93,1284 34688,1286 23.372,1287 0.708,1288 0.554,1289 23.372,1290 18.284,1291 15.974,1292 0.444,1293 0.294,1294 10.415,1295 15.262,1296 10.194,1297 8.45,1298 15.974,1299 10.594,1300 14.131,1301 0.283,1302 0.153,1303 14.131,1304 7.664,1305 12.207,1306 0.182,1307 0.081,1308 12.207,1309 5.451,1310 10.132,1311 0.118,1312 0.043,1313 10.132,1314 3.731,1315 7.905,1316 0.077,1317 0.024,1318 7.905,1319 2.509,1320 0.248,1321 100.997,1322 0.205,1323 31.342,1324 0.393,1325 172,1326 550.502,1327 191.648,1328 524.672,1329 711.24,1330 490,1331 203,1332 518.766,1333 222.899,1334 523.864,1335 767.64,1336 491,1337 5.754}
{0 CHEMBL370239,1 1.627,2 11.448,3 3.13,4 9.799,5 110.528,6 7.829,7 0.548,8 4.012,9 4.13,10 3.598,11 3.527,12 5.261,13 3.53,14 4.484,15 4.651,16 3.942,17 3.886,18 5.765,19 3.864,20 4.655,21 4.816,22 4.011,23 4.043,24 5.827,25 4.009,26 4.762,27 4.946,28 3.994,29 4.083,30 5.977,31 4.013,32 4.833,33 5.072,34 3.869,35 4.059,36 5.894,37 3.968,38 4.736,39 4.959,40 3.833,41 4.024,42 5.752,43 3.928,44 4.771,45 5.003,46 3.872,47 3.992,48 5.826,49 3.906,50 4.716,51 4.925,52 3.849,53 3.88,54 5.894,55 3.831,56 0.106,57 0.743,58 9.4,59 4.117,60 19.699,61 5.092,62 0.387,63 1.122,64 17.356,65 7.165,66 56.81,67 9.199,68 0.309,69 1.326,70 20.23,71 8.008,72 50.303,73 10.249,74 0.361,75 1.457,76 23.046,77 9.435,78 61.053,79 12.442,80 0.432,81 1.488,82 27.539,83 9.233,84 65.231,85 13.145,86 0.262,87 1.354,88 23.935,89 9.402,90 43.33,91 13.103,92 0.324,93 1.33,94 26.036,95 9.87,96 49.389,97 13.817,98 0.388,99 1.241,100 24.462,101 8.383,102 58.658,103 11.167,104 45,105 43,106 0.272,107 0.691,108 0.848,109 0.877,110 0.877,111 0.877,112 3.408,113 0.865,114 -4.46,115 -4.39,116 -4.14,119 42,120 1,121 3,124 1,138 2,139 3,140 5,141 1,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 13,167 1,169 2,170 7,172 3,173 4,175 2,178 16,179 1,180 1,182 7,187 2,189 15,190 1,191 1,192 1,193 9,195 3,196 3,197 1,198 4,200 2,201 13,202 1,204 3,205 1,207 7,212 3,215 13,216 1,218 2,221 7,226 4,229 10,230 2,231 3,233 1,234 11,239 5,241 6,242 3,243 3,246 9,251 6,254 3,255 1,256 3,259 2,260 6,261 1,262 1,263 1,265 5,268 2,269 1,270 4,273 1470,274 19.231,275 19.231,276 19.231,277 19.231,278 19.231,279 16.592,280 22.457,281 11.323,282 19.65,283 15.227,284 15.227,285 15.227,286 15.227,287 15.227,288 11.186,289 26.988,290 5.316,291 15.81,292 4.017,293 1.506,294 0.565,295 0.39,296 0.39,297 0.39,298 4.088,301 1,302 1,303 692,304 3.674,307 248.922,311 127.914,314 1.667,315 33.025,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 63.5,327 332,328 4.658,329 3.601,330 6.838,331 4.194,332 3.219,333 4.617,334 2.341,335 11.245,336 3.145,337 4.348,338 3.366,339 6.211,340 3.907,341 2.918,342 3.987,343 0.86,344 9.335,345 2.885,346 3.901,347 3.199,348 5.77,349 3.468,350 2.51,351 3.398,352 0.68,353 7.768,354 2.405,355 3.795,356 2.738,357 5.225,358 3.247,359 2.263,360 3.005,362 6.517,363 2.223,364 3.541,365 2.707,366 5.097,367 3.173,368 2.21,369 2.861,371 5.919,372 2.097,373 3.459,374 2.374,375 5.01,376 2.984,377 2.045,378 2.735,380 5.797,381 1.916,382 3.425,383 2.194,384 4.66,385 2.903,386 1.978,387 2.697,389 5.183,390 1.824,391 3.295,392 2.054,393 4.454,394 2.596,395 1.605,396 2.288,398 4.316,399 1.586,400 2.811,401 1.832,402 4.159,403 2.326,404 1.345,405 1.837,407 3.407,408 1.317,409 2.688,410 1.484,411 3.504,412 2.245,413 1.273,414 1.756,415 2.805,416 1.232,417 1.956,418 1.183,419 3.192,420 1.628,421 0.678,422 0.793,423 1.399,424 0.635,425 1.733,426 0.89,427 2.941,428 1.354,429 0.424,430 0.508,431 0.941,432 0.391,433 1.65,434 0.705,435 2.824,436 1.25,437 0.303,438 0.392,439 0.547,440 0.286,441 1.223,442 0.524,443 2.727,444 0.842,445 -0.102,446 -0.128,448 -0.263,449 -0.096,450 1.16,451 0.207,452 2.624,453 0.8,454 -0.175,455 -0.216,457 -0.405,458 -0.17,459 13.5,460 0.466,461 0.788,462 0.027,463 39.5,464 1.362,465 21,466 0.724,467 18.5,468 0.638,469 23.245,470 0.802,471 30.9,472 0.618,473 31.378,474 1.082,475 7.98,476 0.275,477 5.904,478 0.204,479 0.183,481 0.37,485 0.941,486 1.174,487 0.796,488 0.977,489 0.915,490 0.868,491 0.64,492 0.81,493 0.697,494 0.847,495 0.435,496 0.804,497 1.056,498 1.154,499 1.004,500 1.026,501 1.037,502 1.012,503 0.725,504 1.151,505 1.054,506 1.237,507 0.724,508 1.226,509 0.824,510 0.91,511 1.065,512 0.937,513 0.616,514 1.006,515 0.578,516 1.05,517 0.958,518 1.128,519 0.483,520 1.112,521 0.608,522 1.032,523 0.807,524 1.072,525 0.544,526 0.998,527 1.207,528 1.16,529 1.012,530 1.108,531 1.006,532 1.043,533 6.5,534 0.219,535 3.111,536 2.313,537 2.022,538 0.847,539 0.69,540 0.573,541 0.378,542 0.326,543 9995,544 32616,545 1.993,546 42,547 7,548 6,550 1,551 5,552 2,555 1.723,556 1.832,557 3.452,558 2.46,559 1,560 1,564 81.351,565 1.627,566 4.138,567 5.079,568 5.254,569 5.254,570 5.254,571 2.905,572 4.582,573 4.824,574 3.636,575 1476.14,576 8.426,577 20120.9,579 1,581 1,582 282.193,583 1.519,584 4.768,585 0.21,586 0.009,587 0.072,588 0.05,589 0.047,590 0.022,591 0.019,592 0.015,593 0.01,594 0.011,595 0.466,597 1,598 1.574,599 147.339,600 -0.142,601 0.003,602 -0.003,603 0.059,604 -0.168,605 0.062,606 0.217,607 0.264,608 0.185,609 0.182,610 0.25,611 0.168,612 -0.189,613 -0.073,614 -0.136,615 -0.004,616 -0.204,617 -0.053,618 0.018,619 -0.096,620 -0.172,621 -0.219,622 0.011,623 -0.244,624 -0.132,625 0.113,626 -0.116,627 0.037,628 -0.055,629 -0.012,630 -0.006,631 -0.055,632 -0.047,633 -0.094,634 0.012,635 -0.076,636 0.097,637 -0.097,638 0.153,639 -0.037,640 0.074,641 0.052,642 -0.132,643 -0.205,644 -0.025,645 -0.119,646 -0.068,647 -0.063,648 2.535,649 3.676,650 0.552,651 30.119,652 1.011,653 1.129,654 3.231,655 10.44,656 0.67,657 3.466,658 3.784,659 4.025,660 4.29,661 4.522,662 4.615,663 4.7,664 4.812,665 4.927,666 4.97,667 6.752,668 0.649,669 391.47,670 3.466,671 5.004,672 5.844,673 6.723,674 7.585,675 8.473,676 9.347,677 10.239,678 11.121,679 12.016,680 10,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 1,718 50,719 19,720 1,721 31,723 52,724 21,725 13,726 3,727 3,729 3,730 4,734 1,739 3,740 2,741 14,742 5,744 1,748 1,751 1,754 1,757 21,758 8,759 5,760 8,764 5,769 0.667,770 3,775 1,776 1,781 3,785 1,788 2,792 1,800 1,802 2,806 2,810 29,811 2,815 1,816 3,818 1,823 1,827 2,829 6,831 1,832 1,834 1,836 15.833,837 9.633,838 6.472,839 2.749,840 4.289,841 1.573,842 0.96,843 6.283,844 11.776,845 3.773,846 4.407,847 5.004,848 5.629,849 6.222,850 6.572,851 6.959,852 7.358,853 7.786,854 8.046,855 0.875,856 46,857 10.627,859 4.423,860 7.971,861 19.756,863 15.577,865 2.471,866 71.667,869 1,870 188.338,871 126.26,872 116.151,874 78.828,877 126.26,878 267.166,879 116.151,880 19.708,881 7.604,882 94.223,883 130.866,884 42.321,885 38.288,886 176.567,888 188.338,889 242.411,890 78.828,893 190.053,894 78.828,897 27.375,898 128.903,899 84.418,901 188.338,902 194.979,903 126.26,906 188.338,907 35.014,908 57.184,909 34.061,910 194.979,911 188.338,912 194.979,913 126.26,915 0.578,916 0.329,917 0.177,918 0.097,919 19,920 10,921 0.096,922 5,923 1,924 1.125,925 3.945,926 248.58,927 0.125,928 16,929 140.881,933 20.537,934 8.872,935 4.807,936 1.129,937 194.979,938 7.34,939 12.557,943 4.682,945 108.478,946 509.577,947 42.5,951 10.676,954 -0.868,956 50.56,957 56.441,958 0.288,959 0.733,960 0.9,961 0.931,962 0.931,963 0.931,964 5.012,965 1.605,966 5.838,967 5.183,968 4.466,969 5.094,970 2.482,971 6.648,972 4.399,973 6.258,974 1.345,975 7.399,976 4.316,977 4.111,978 4.997,979 2.243,980 7.564,981 4.019,982 7.589,983 1.273,984 9.06,985 3.407,986 6.057,987 7.371,988 3.668,989 10.668,990 5.94,991 8.953,992 0.678,993 10.78,994 2.805,995 6.479,996 8.068,997 4.112,998 12.417,999 6.345,1000 10.343,1001 0.424,1002 12.538,1003 1.399,1004 7.928,1005 9.947,1006 5.207,1007 15.067,1008 7.775,1009 11.754,1010 0.303,1011 14.324,1012 0.941,1013 8.726,1014 11.05,1015 5.889,1016 17.185,1017 8.559,1018 13.183,1019 -0.102,1020 16.133,1021 0.547,1022 9.981,1023 12.718,1024 6.849,1025 19.677,1026 9.796,1027 3.219,1028 -0.175,1029 17.958,1030 -0.263,1031 10.964,1032 14.032,1033 7.625,1034 21.958,1035 10.763,1036 2.918,1037 11.245,1038 19.799,1039 -0.405,1040 12.145,1041 15.607,1042 8.526,1043 24.393,1044 11.925,1045 2.51,1046 9.335,1047 21.651,1048 4.617,1049 13.216,1050 17.027,1051 9.342,1052 26.746,1053 12.978,1054 2.263,1055 7.768,1056 23.513,1057 3.987,1058 14.372,1059 18.566,1060 10.216,1061 29.162,1062 14.114,1063 2.21,1064 6.517,1065 25.383,1066 3.398,1067 15.485,1068 20.037,1069 11.051,1070 31.548,1071 15.207,1072 2.045,1073 5.919,1074 27.26,1075 3.005,1076 16.634,1077 21.562,1078 11.912,1079 33.96,1080 16.335,1081 1.978,1082 5.797,1083 29.144,1084 2.861,1085 17.768,1086 23.059,1087 12.755,1088 36.36,1089 17.447,1090 9967,1091 18108,1092 19.997,1093 33.483,1094 46.879,1095 47.653,1096 47.637,1097 45.559,1098 45.544,1099 61.749,1100 7.762,1101 130.36,1102 43.881,1103 5.437,1104 5.601,1105 6.524,1106 5.269,1107 5.219,1108 7.617,1109 3.925,1110 18.521,1111 5.145,1112 17.588,1113 1.512,1114 1.537,1115 1.537,1116 1.47,1117 1.469,1118 1.992,1119 0.25,1120 4.205,1121 1.416,1122 4.086,1123 4.121,1124 4.059,1125 3.995,1126 7.474,1127 4.004,1128 3.924,1129 3.946,1130 3.885,1131 3.849,1132 6.351,1133 3.856,1134 3.661,1135 3.692,1136 3.568,1137 3.519,1138 5.321,1139 3.52,1140 3.516,1141 3.579,1142 3.449,1143 3.338,1144 4.982,1145 3.359,1146 3.319,1147 3.352,1148 3.247,1149 3.114,1150 4.919,1151 3.141,1152 3.185,1153 3.271,1154 3.053,1155 2.986,1156 4.796,1157 2.983,1158 3.147,1159 3.192,1160 3.013,1161 2.89,1162 4.656,1163 2.905,1164 3.042,1165 3.153,1166 2.89,1167 2.842,1168 4.251,1169 2.847,1170 0.15,1171 0.116,1172 0.221,1173 0.135,1174 0.104,1175 4.658,1176 0.149,1177 3.601,1178 0.076,1179 6.838,1180 0.363,1181 4.194,1182 0.101,1183 3.219,1184 4.617,1185 2.341,1186 11.245,1187 3.145,1188 2.02,1189 1.995,1190 2.091,1191 2.137,1192 1.283,1193 2.12,1194 1.898,1195 1.877,1196 1.973,1197 1.992,1198 1.1,1199 1.989,1200 1.625,1201 1.588,1202 1.825,1203 1.807,1204 1.046,1205 1.809,1206 1.451,1207 1.395,1208 1.614,1209 1.673,1210 0.683,1211 1.663,1212 1.239,1213 1.202,1214 1.569,1215 1.523,1216 0.566,1217 1.536,1218 1.164,1219 1.089,1220 1.49,1221 1.414,1222 0.557,1223 1.435,1224 1.085,1225 1.027,1226 1.267,1227 1.342,1228 0.236,1229 1.341,1230 1.005,1231 0.928,1232 1.261,1233 1.334,1234 0.206,1235 1.306,1236 4.143,1238 5.46,1240 6.971,1242 8.584,1244 10.257,1246 3.538,1250 11.697,1251 8.766,1252 0.833,1254 5.342,1261 5.976,1262 32.466,1263 81.351,1264 206.909,1265 253.928,1266 262.683,1267 262.683,1268 262.683,1269 57.303,1270 7.488,1271 137.24,1272 137.24,1273 18,1274 12.545,1275 4.322,1276 3.644,1277 52.303,1278 114,1279 131,1280 0.22,1281 203.788,1282 354.41,1283 489.003,1284 18149,1286 20.966,1287 0.723,1288 0.558,1289 20.966,1290 16.191,1291 13.884,1292 0.448,1293 0.288,1294 8.798,1295 13.313,1296 8.52,1297 7.105,1298 13.884,1299 8.935,1300 12.609,1301 0.293,1302 0.15,1303 12.609,1304 6.469,1305 9.977,1306 0.181,1307 0.082,1308 9.977,1309 4.515,1310 8.434,1311 0.117,1312 0.042,1313 8.434,1314 3.009,1315 6.566,1316 0.072,1317 0.022,1318 6.566,1319 1.988,1320 0.344,1321 87.424,1322 0.224,1323 27.496,1324 0.609,1325 148,1326 477.181,1327 163.466,1328 464.906,1329 626.87,1330 432,1331 172,1332 455.001,1333 184.976,1334 464.678,1335 670.66,1336 434,1337 7.26}
{0 CHEMBL37334,1 1.62,2 11.52,3 2.718,4 7.39,5 97.656,6 7.565,7 0.462,8 3.892,9 4.014,10 3.437,11 3.381,12 5.137,13 3.379,14 4.358,15 4.53,16 3.735,17 3.718,18 5.636,19 3.682,20 4.544,21 4.731,22 3.75,23 3.837,24 5.684,25 3.78,26 4.605,27 4.814,28 3.66,29 3.83,30 5.734,31 3.747,32 4.576,33 4.797,34 3.622,35 3.8,36 5.689,37 3.707,38 4.551,39 4.795,40 3.648,41 3.741,42 5.653,43 3.656,44 4.444,45 4.66,46 3.557,47 3.676,48 5.544,49 3.593,50 4.455,51 4.701,52 3.41,53 3.562,54 5.599,55 3.471,56 0.097,57 0.649,58 9.008,59 3.75,60 19.336,61 4.816,62 0.347,63 0.954,64 16.074,65 6.47,66 54.094,67 8.468,68 0.291,69 1.106,70 19.837,71 7.283,72 51.747,73 9.844,74 0.41,75 1.13,76 22.007,77 7.733,78 64.153,79 10.493,80 0.28,81 1.09,82 21.358,83 7.795,84 56.408,85 10.914,86 0.377,87 1.048,88 21.59,89 7.422,90 50.958,91 10.885,92 0.193,93 0.991,94 18.264,95 6.623,96 32.901,97 9.513,98 0.345,99 0.928,100 19.779,101 6.068,102 50.151,103 8.927,104 35,105 34,106 0.28,107 0.701,108 0.852,109 0.886,110 0.886,111 0.886,112 3.266,113 0.893,114 -3.86,115 -3.82,116 -3.63,119 40,121 4,124 1,138 2,139 3,140 3,141 1,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 11,167 1,169 1,170 5,172 3,173 4,175 2,178 12,179 1,180 1,182 6,187 2,189 12,190 1,191 1,193 5,195 1,196 1,197 1,198 3,200 2,201 10,202 1,204 2,205 1,207 4,212 3,215 8,216 1,218 2,220 2,221 6,223 1,224 1,226 4,229 6,230 1,231 3,234 6,239 4,241 4,242 2,243 3,246 5,248 1,249 1,251 5,254 2,255 2,256 3,260 5,265 5,268 1,269 1,270 3,273 1071,274 16.577,275 16.577,276 16.577,277 16.577,278 16.577,279 14.518,280 21.043,281 10.042,282 16.934,283 12.776,284 12.776,285 12.776,286 12.776,287 12.776,288 9.652,289 24.175,290 4.735,291 13.258,292 3.872,293 1.44,294 0.567,295 0.372,296 0.372,297 0.372,298 3.93,300 1,301 1,302 1,303 584,304 3.606,307 179.585,314 1.859,315 28.671,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 55,327 288,328 4.351,329 3.596,330 6.251,331 3.956,332 2.98,333 3.997,334 2.341,335 9.444,336 2.911,337 4.189,338 3.272,339 5.984,340 3.722,341 2.765,342 3.832,343 0.86,344 8.479,345 2.65,346 3.914,347 2.971,348 5.253,349 3.276,350 2.291,351 3.137,352 0.68,353 6.647,354 2.25,355 3.548,356 2.793,357 4.963,358 3.221,359 2.222,360 2.762,362 5.821,363 2.197,364 3.453,365 2.325,366 4.659,367 3.025,368 2.1,369 2.71,371 5.182,372 1.934,373 3.202,374 2.311,375 4.42,376 2.556,377 1.598,378 2.08,380 4.275,381 1.548,382 2.928,383 1.935,384 4.075,385 2.543,386 1.554,387 2.065,389 3.501,390 1.509,391 2.773,392 1.498,393 3.646,394 2.293,395 1.345,396 1.889,398 3.197,399 1.271,400 2.301,401 1.236,402 3.141,403 1.828,404 0.85,405 1.089,407 1.748,408 0.824,409 1.86,410 1.113,411 3.026,412 1.534,413 0.602,414 0.723,415 1.2,416 0.555,417 1.546,418 0.615,419 2.731,420 1.249,421 0.322,422 0.379,423 0.67,424 0.297,425 1.174,426 0.572,427 2.399,428 0.91,429 -0.07,430 -0.08,431 -0.138,432 -0.067,433 0.971,434 0.389,435 2.359,436 0.619,437 -0.331,438 -0.404,439 -0.716,440 -0.313,441 0.8,442 -0.003,443 2.232,444 0.393,445 -0.515,446 -0.621,448 -1.242,449 -0.466,450 0.764,451 -0.27,452 2.112,453 0.344,454 -0.641,455 -0.787,457 -1.582,458 -0.621,459 11.6,460 0.464,461 0.596,462 0.024,463 32.5,464 1.3,465 17,466 0.68,467 15.5,468 0.62,469 18.566,470 0.743,471 27.4,472 0.609,473 24.321,474 0.973,475 6.623,476 0.265,477 5.368,478 0.215,479 0.17,481 0.302,485 0.955,486 1.187,487 0.841,488 1.018,489 0.914,490 0.913,491 0.659,492 0.881,493 0.792,494 0.967,495 0.441,496 0.927,497 1.026,498 1.138,499 1.036,500 1.087,501 1.015,502 1.069,503 1.062,504 0.936,505 1.155,506 1.04,507 0.966,508 1.106,509 0.816,510 1.098,511 1.003,512 1.129,513 0.82,514 1.109,515 0.521,516 0.942,517 0.756,518 0.926,519 0.388,520 0.893,521 0.69,522 1.345,523 0.95,524 1.242,525 0.502,526 1.163,527 0.921,528 0.994,529 1.068,530 1.034,531 0.765,532 1.055,533 5.5,534 0.111,535 2.444,536 1.25,537 1.307,538 0.667,539 0.467,540 0.398,541 0.246,542 0.157,543 6938,544 23323,545 1.95,546 44.4,547 6,548 6,550 1,551 5,552 2,555 1.679,556 1.807,557 3.469,558 2.607,559 1,560 1,564 72.881,565 1.62,566 4.052,567 4.925,568 5.12,569 5.12,570 5.12,571 2.953,572 4.404,573 4.607,574 3.662,575 1098.51,576 7.968,577 13927.9,579 1,581 1,582 247.133,583 1.469,584 4.56,585 0.212,586 0.008,587 0.072,588 0.037,589 0.044,590 0.023,591 0.016,592 0.015,593 0.011,594 0.009,595 0.445,596 0.17,597 1,598 1.87,599 122.883,600 -0.146,601 0.03,602 -0.014,603 0.061,604 -0.156,605 0.059,606 0.199,607 0.207,608 0.102,609 0.088,610 0.246,611 0.068,612 -0.155,613 -0.083,614 -0.126,615 -0.054,616 -0.169,617 -0.08,618 -0.152,619 0.087,620 -0.216,621 -0.035,622 -0.163,623 -0.125,624 -0.067,625 -0.106,626 -0.076,627 -0.1,628 -0.059,629 -0.09,630 0.188,631 0.031,632 0.198,633 0.078,634 0.155,635 0.129,636 -0.016,637 -0.323,638 -0.038,639 -0.219,640 0.03,641 -0.15,642 -0.061,643 -0.002,644 -0.092,645 -0.085,646 -0.004,647 -0.083,648 2.475,649 3.479,650 0.48,651 26.701,652 1.01,653 1.132,654 2.634,655 6.939,656 0.655,657 3.296,658 3.555,659 3.714,660 3.892,661 4.094,662 4.111,663 4.111,664 4.174,665 4.22,666 4.159,667 6.774,668 0.632,669 340.42,670 3.296,671 4.796,672 5.595,673 6.435,674 7.258,675 8.105,676 8.94,677 9.793,678 10.636,679 11.491,680 8.9,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 1,718 45,719 14,720 1,721 26,723 46,724 18,725 10,726 3,727 3,729 2,730 2,739 4,740 2,741 11,742 5,744 1,748 1,751 1,753 1,754 1,757 20,758 7,759 5,760 7,764 4,769 1,770 3,776 1,781 2,788 2,792 1,800 1,802 2,806 1,810 25,811 2,815 1,816 4,818 1,823 1,827 2,829 6.7,831 1,832 1,834 1,836 13.833,837 8.183,838 5.722,839 2.461,840 2.991,841 1.448,842 0.93,843 6.76,844 9.665,845 3.584,846 4.127,847 4.61,848 5.113,849 5.652,850 5.866,851 6.149,852 6.469,853 6.786,854 7.068,855 0.875,856 34,857 9.144,859 3.701,860 8.027,861 16.964,863 13.001,865 2.527,866 63.167,869 1,870 176.567,871 112.496,872 99.365,874 78.828,877 112.496,878 255.395,879 99.365,880 10.883,881 10.138,882 94.223,883 114.08,884 34.847,885 38.288,886 164.795,888 176.567,889 211.861,890 78.828,893 176.567,894 78.828,897 21.085,898 123.144,899 67.632,901 176.567,902 178.194,903 112.496,906 176.567,907 30.075,908 48.359,909 34.061,910 178.194,911 176.567,912 178.194,913 112.496,915 0.565,916 0.308,917 0.156,918 0.086,919 13,920 7,921 0.13,922 6,924 1,925 3.716,926 185.476,928 12,929 116.096,933 18.724,934 9.025,935 5.752,937 178.194,938 7.209,939 7.928,943 3.654,945 108.478,946 467.256,947 35,951 10.479,954 -0.808,956 45.458,957 50.943,958 0.295,959 0.738,960 0.897,961 0.932,962 0.932,963 0.932,964 4.796,965 1.345,966 5.557,967 3.501,968 4.234,969 4.812,970 2.482,971 6.282,972 4.167,973 6.008,974 0.85,975 7.067,976 3.197,977 3.761,978 4.543,979 2.243,980 7.034,981 3.658,982 7.307,983 0.602,984 8.674,985 1.748,986 5.746,987 6.958,988 3.668,989 10.064,990 5.623,991 8.637,992 0.322,993 10.338,994 1.2,995 6.043,996 7.443,997 4.112,998 11.622,999 5.879,1000 9.992,1001 -0.07,1002 12.037,1003 0.67,1004 7.514,1005 9.358,1006 5.207,1007 14.171,1008 7.337,1009 11.364,1010 -0.331,1011 13.762,1012 -0.138,1013 8.188,1014 10.223,1015 5.889,1016 16.083,1017 7.971,1018 12.75,1019 -0.515,1020 15.506,1021 -0.716,1022 9.436,1023 11.898,1024 6.849,1025 18.446,1026 9.205,1027 2.98,1028 -0.641,1029 17.264,1030 -1.242,1031 10.306,1032 12.977,1033 7.625,1034 20.524,1035 10.038,1036 2.765,1037 9.444,1038 19.033,1039 -1.582,1040 11.453,1041 14.52,1042 8.526,1043 22.809,1044 11.167,1045 2.291,1046 8.479,1047 20.812,1048 3.997,1049 12.424,1050 15.723,1051 9.342,1052 24.965,1053 12.105,1054 2.222,1055 6.647,1056 22.598,1057 3.832,1058 13.526,1059 17.192,1060 10.216,1061 27.217,1062 13.188,1063 2.1,1064 5.821,1065 24.39,1066 3.137,1067 14.549,1068 18.466,1069 11.051,1070 29.41,1071 14.181,1072 1.598,1073 5.182,1074 26.187,1075 2.762,1076 15.633,1077 19.893,1078 11.912,1079 31.649,1080 15.245,1081 1.554,1082 4.275,1083 27.988,1084 2.71,1085 16.682,1086 21.208,1087 12.755,1088 33.863,1089 16.267,1090 7116,1091 13133,1092 16.701,1093 29.478,1094 38.517,1095 38.825,1096 38.757,1097 37.253,1098 37.257,1099 49.325,1100 7.762,1101 100.33,1102 35.893,1103 5.143,1104 5.596,1105 6.024,1106 5.025,1107 4.98,1108 6.997,1109 3.925,1110 15.9,1111 4.911,1112 14.871,1113 1.481,1114 1.493,1115 1.491,1116 1.433,1117 1.433,1118 1.897,1119 0.299,1120 3.859,1121 1.38,1122 3.995,1123 4.023,1124 3.949,1125 3.926,1126 7.474,1127 3.927,1128 3.817,1129 3.864,1130 3.779,1131 3.673,1132 6.351,1133 3.692,1134 3.701,1135 3.741,1136 3.592,1137 3.559,1138 5.291,1139 3.558,1140 3.395,1141 3.413,1142 3.332,1143 3.229,1144 4.98,1145 3.248,1146 3.226,1147 3.303,1148 3.078,1149 2.994,1150 4.911,1151 3.005,1152 3.191,1153 3.259,1154 3.038,1155 2.937,1156 4.656,1157 2.949,1158 3.004,1159 3.125,1160 2.846,1161 2.715,1162 4.447,1163 2.715,1164 2.908,1165 2.954,1166 2.75,1167 2.689,1168 4.231,1169 2.714,1170 0.167,1171 0.138,1172 0.24,1173 0.152,1174 0.115,1175 4.351,1176 0.154,1177 3.596,1178 0.09,1179 6.251,1180 0.363,1181 3.956,1182 0.112,1183 2.98,1184 3.997,1185 2.341,1186 9.444,1187 2.911,1188 1.955,1189 1.935,1190 2.045,1191 2.05,1192 1.229,1193 2.046,1194 1.758,1195 1.715,1196 1.918,1197 1.927,1198 1.196,1199 1.915,1200 1.672,1201 1.627,1202 1.818,1203 1.851,1204 0.879,1205 1.856,1206 1.323,1207 1.3,1208 1.577,1209 1.549,1210 0.586,1211 1.55,1212 1.174,1213 1.096,1214 1.466,1215 1.473,1216 0.56,1217 1.473,1218 1.139,1219 1.074,1220 1.389,1221 1.413,1222 0.404,1223 1.408,1224 0.909,1225 0.825,1226 1.235,1227 1.294,1228 0.152,1229 1.295,1230 0.87,1231 0.796,1232 1.116,1233 1.097,1235 1.098,1236 3.97,1238 5.242,1240 6.696,1242 8.242,1244 9.84,1246 1.596,1250 11.406,1251 8.613,1252 1.68,1254 5.386,1261 6.023,1262 28.444,1263 72.881,1264 182.325,1265 221.624,1266 230.379,1267 230.379,1268 230.379,1269 53.723,1270 6.675,1271 124.35,1272 124.35,1273 12,1274 12.048,1275 3.907,1276 3.322,1277 51.764,1278 97,1279 113,1280 0.253,1281 181.465,1282 320.05,1283 434.535,1284 6458,1286 18.234,1287 0.729,1288 0.558,1289 18.234,1290 13.951,1291 11.99,1292 0.461,1293 0.298,1294 7.616,1295 11.482,1296 7.413,1297 6.198,1298 11.99,1299 7.737,1300 10.531,1301 0.31,1302 0.159,1303 10.531,1304 5.391,1305 7.881,1306 0.197,1307 0.088,1308 7.881,1309 3.503,1310 6.142,1311 0.128,1312 0.047,1313 6.142,1314 2.263,1315 4.754,1316 0.081,1317 0.024,1318 4.754,1319 1.442,1320 0.402,1321 75.652,1322 0.245,1323 24.737,1324 0.675,1325 120,1326 403.535,1327 133.357,1328 391.076,1329 516.86,1330 362,1331 134,1332 364.184,1333 144.977,1334 371.715,1335 528.15,1336 346,1337 5.658}
{0 CHEMBL37520,1 1.648,2 11.52,3 2.042,4 4.169,5 95.186,6 7.371,7 0.462,8 3.943,9 4.064,10 3.463,11 3.37,12 5.15,13 3.378,14 4.435,15 4.607,16 3.768,17 3.709,18 5.675,19 3.684,20 4.64,21 4.834,22 3.784,23 3.829,24 5.724,25 3.784,26 4.71,27 4.925,28 3.7,29 3.843,30 5.776,31 3.765,32 4.72,33 4.954,34 3.669,35 3.828,36 5.73,37 3.733,38 4.674,39 4.91,40 3.715,41 3.75,42 5.799,43 3.673,44 4.58,45 4.803,46 3.605,47 3.674,48 5.64,49 3.601,50 4.529,51 4.77,52 3.439,53 3.599,54 5.603,55 3.506,56 0.124,57 0.665,58 10.065,59 3.928,60 18.828,61 5.254,62 0.432,63 0.963,64 18.295,65 6.7,66 56.679,67 8.932,68 0.453,69 1.11,70 23.252,71 7.453,72 55.73,73 10.526,74 0.552,75 1.142,76 25.565,77 8.106,78 67.297,79 11.483,80 0.557,81 1.121,82 26.244,83 8.329,84 62.079,85 12.235,86 0.714,87 1.051,88 25.427,89 7.597,90 75.109,91 11.449,92 0.546,93 0.976,94 22.798,95 6.843,96 47.094,97 10.125,98 0.433,99 0.927,100 21.598,101 6.206,102 48.996,103 9.534,104 35,105 34,106 0.285,107 0.663,108 0.837,109 0.884,110 0.892,111 0.892,112 3.266,113 0.909,114 -3.22,115 -3.21,116 -3.08,119 36.2,121 4,124 1,125 1,139 3,140 2,141 2,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 6,167 1,169 1,170 8,172 3,173 4,175 2,178 5,179 1,180 1,182 9,187 2,189 4,190 1,191 1,193 6,195 1,196 1,197 1,198 3,200 2,201 4,204 2,205 1,206 1,207 3,208 1,212 2,215 5,218 2,220 3,221 2,223 1,224 2,226 2,229 5,231 2,233 2,234 3,236 1,237 1,239 2,241 4,242 2,243 2,246 3,248 1,249 1,251 3,254 2,255 2,256 1,260 5,262 1,263 1,265 4,268 1,269 1,270 2,273 1071,274 16.577,275 16.577,276 16.577,277 16.577,278 16.577,279 14.817,280 23.131,281 10.042,282 17.071,283 12.776,284 12.776,285 12.776,286 12.776,287 12.776,288 10.102,289 28.299,290 4.735,291 13.475,292 3.906,293 1.72,294 0.713,295 0.442,296 0.399,297 0.399,298 3.93,300 1,301 1,302 1,303 584,304 3.606,307 179.585,314 1.859,315 30.985,317 1,318 1,319 1,320 0.83,321 1,322 1,323 1,324 1,325 0.98,326 56,327 288,328 4.331,329 3.596,330 6.251,331 3.951,332 2.98,333 3.975,334 2.341,335 9.444,336 2.894,337 4.161,338 3.264,339 5.984,340 3.715,341 2.765,342 3.813,343 0.86,344 8.479,345 2.627,346 3.574,347 2.951,348 5.253,349 3.249,350 2.291,351 2.884,352 0.86,353 6.647,354 2.222,355 3.546,356 2.732,357 4.963,358 3.188,359 2.222,360 2.746,361 0.68,362 5.821,363 2.084,364 3.44,365 2.324,366 4.659,367 3.022,368 2.1,369 2.709,371 5.182,372 1.929,373 2.928,374 1.956,375 4.42,376 2.545,377 1.598,378 2.074,380 4.275,381 1.511,382 2.773,383 1.785,384 4.075,385 2.532,386 1.554,387 1.889,389 3.501,390 1.509,391 2.641,392 1.495,393 3.646,394 2.293,395 1.345,396 1.636,398 3.197,399 1.271,400 1.996,401 1.295,402 3.141,403 1.772,404 0.85,405 0.935,407 1.748,408 0.771,409 1.775,410 1.05,411 3.026,412 1.524,413 0.602,414 0.68,415 1.2,416 0.547,417 1.54,418 0.62,419 2.731,420 1.246,421 0.322,422 0.379,423 0.67,424 0.296,425 1.09,426 0.614,427 2.399,428 0.866,429 -0.07,430 -0.076,431 -0.138,432 -0.064,433 0.936,434 0.237,435 2.359,436 0.615,437 -0.331,438 -0.393,439 -0.716,440 -0.31,441 0.795,442 0.035,443 2.232,444 0.393,445 -0.515,446 -0.621,448 -1.242,449 -0.466,450 0.663,451 -0.271,452 2.112,453 0.315,454 -0.641,455 -0.748,457 -1.582,458 -0.599,459 11.433,460 0.457,461 0.596,462 0.024,463 31.5,464 1.26,465 15.5,466 0.62,467 16,468 0.64,469 19.297,470 0.772,471 28.767,472 0.612,473 23.589,474 0.944,475 6.388,476 0.256,477 5.602,478 0.224,479 0.172,481 0.306,485 0.959,486 1.348,487 0.852,488 1.179,489 0.914,490 1.005,491 0.829,492 0.983,493 0.838,494 1.062,495 0.467,496 0.981,497 1.162,498 1.155,499 1.045,500 1.087,501 0.993,502 1.05,503 1.103,504 0.995,505 1.143,506 1.09,507 0.919,508 1.124,509 0.857,510 1.057,511 0.984,512 1.077,513 0.819,514 1.066,515 0.667,516 0.982,517 0.837,518 0.972,519 0.67,520 0.951,521 0.952,522 1.099,523 0.989,524 1.053,525 0.546,526 1.045,527 0.914,528 1.076,529 1.1,530 1.12,531 0.765,532 1.133,533 5.5,534 0.111,535 2.444,536 1.25,537 1.307,538 0.667,539 0.467,540 0.398,541 0.246,542 0.157,543 6938,544 23239,545 1.95,546 46.8,547 4,548 8,550 1,551 5,552 2,553 2,555 1.679,556 1.807,557 3.469,558 2.647,559 1,560 1,564 77.471,565 1.648,566 3.834,567 4.842,568 5.113,569 5.156,570 5.156,571 2.953,572 4.404,573 4.607,574 3.662,575 1098.51,576 7.968,577 13927.9,579 1,581 1,582 261.066,583 1.469,584 4.56,585 0.212,586 0.008,587 0.072,588 0.037,589 0.044,590 0.023,591 0.016,592 0.015,593 0.011,594 0.009,595 0.445,596 0.17,597 1,598 1.87,599 122.883,600 -0.138,601 -0.049,603 -0.007,604 -0.147,605 0.032,606 0.107,607 0.142,608 0.08,609 0.035,610 0.235,611 0.039,612 -0.188,613 -0.095,614 -0.103,615 -0.036,616 -0.145,617 -0.048,618 -0.159,619 0.032,620 -0.193,621 -0.068,622 -0.131,623 -0.13,624 -0.011,625 -0.083,626 -0.034,627 -0.049,628 -0.078,629 -0.047,630 0.24,631 -0.02,632 0.134,633 0.023,634 0.118,635 0.048,636 0.005,637 -0.113,638 -0.022,639 -0.049,640 0.034,641 -0.053,642 -0.085,643 -0.062,644 -0.147,645 -0.147,646 -0.029,647 -0.151,648 2.463,649 3.487,650 0.48,651 26.701,652 1.014,653 1.14,654 1.994,655 3.975,656 0.632,657 3.296,658 3.555,659 3.714,660 3.892,661 4.094,662 4.111,663 4.111,664 4.174,665 4.22,666 4.159,667 6.774,668 0.61,669 346.43,670 3.296,671 4.796,672 5.595,673 6.435,674 7.258,675 8.105,676 8.94,677 9.793,678 10.636,679 11.491,680 8.5,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 2,718 47,719 13,720 1,721 26,723 48,724 17,725 10,726 3,727 3,729 2,730 2,739 4,741 11,742 6,744 1,748 1,751 1,753 1,754 1,757 22,758 8,759 5,760 8,764 4,769 1,770 4,776 1,781 2,792 1,800 1,802 2,806 1,810 25,811 2,815 1,816 5,818 2,829 8.5,831 1,832 1,834 2,836 13.833,837 8.35,838 5.722,839 2.586,840 2.333,841 1.349,842 0.917,843 7.129,844 9.007,845 3.526,846 4.06,847 4.505,848 4.992,849 5.513,850 5.611,851 5.78,852 6.124,853 6.456,854 6.658,855 0.875,856 34,857 9.17,859 3.719,860 8.027,861 17.05,863 13.112,865 2.527,866 63.167,870 200.109,871 85.085,872 99.365,874 89.828,877 85.085,878 289.937,879 99.365,880 10.883,881 14.731,882 94.223,883 114.08,884 47.905,885 4.227,886 188.338,888 200.109,889 184.45,890 89.828,893 176.567,894 113.37,897 25.677,898 125.202,899 33.571,901 200.109,902 189.193,903 85.085,906 200.109,907 36.725,908 48.359,910 189.193,911 200.109,912 189.193,913 85.085,915 0.565,916 0.308,917 0.156,918 0.086,919 13,920 7,921 0.188,922 9,924 1,925 3.716,926 185.476,928 12,929 116.096,933 19.121,934 9.321,935 5.977,937 189.193,938 7.084,939 7.921,943 3.466,945 108.478,946 474.387,947 33,951 10.487,954 -0.796,956 47.669,957 53.568,958 0.297,959 0.69,960 0.872,961 0.92,962 0.928,963 0.928,964 4.727,965 1.345,966 5.557,967 3.501,968 4.234,969 4.745,970 2.599,971 6.282,972 4.137,973 5.909,974 0.85,975 7.067,976 3.197,977 3.761,978 4.543,979 2.243,980 7.034,981 3.627,982 7.193,983 0.602,984 8.674,985 1.748,986 5.746,987 6.862,988 3.696,989 10.064,990 5.569,991 8.51,992 0.322,993 10.338,994 1.2,995 6.043,996 7.416,997 4.112,998 11.622,999 5.827,1000 9.855,1001 -0.07,1002 12.037,1003 0.67,1004 7.514,1005 9.259,1006 5.211,1007 14.171,1008 7.267,1009 11.22,1010 -0.331,1011 13.762,1012 -0.138,1013 8.188,1014 10.174,1015 5.889,1016 16.083,1017 7.905,1018 12.6,1019 -0.515,1020 15.506,1021 -0.716,1022 9.436,1023 11.804,1024 6.85,1025 18.446,1026 9.126,1027 2.98,1028 -0.641,1029 17.264,1030 -1.242,1031 10.306,1032 12.914,1033 7.625,1034 20.524,1035 9.961,1036 2.765,1037 9.444,1038 19.033,1039 -1.582,1040 11.453,1041 14.431,1042 8.526,1043 22.809,1044 11.082,1045 2.291,1046 8.479,1047 20.812,1048 3.975,1049 12.424,1050 15.649,1051 9.342,1052 24.965,1053 12.02,1054 2.222,1055 6.647,1056 22.598,1057 3.813,1058 13.526,1059 17.104,1060 10.216,1061 27.217,1062 13.096,1063 2.1,1064 5.821,1065 24.39,1066 2.884,1067 14.549,1068 18.385,1069 11.051,1070 29.41,1071 14.088,1072 1.598,1073 5.182,1074 26.187,1075 2.746,1076 15.633,1077 19.803,1078 11.912,1079 31.649,1080 15.145,1081 1.554,1082 4.275,1083 27.988,1084 2.709,1085 16.682,1086 21.12,1087 12.755,1088 33.863,1089 16.164,1090 7116,1091 13111,1092 16.701,1093 29.693,1094 37.488,1095 38.557,1096 38.757,1097 37.258,1098 37.257,1099 47.44,1100 9.482,1101 100.33,1102 35.323,1103 5.24,1104 5.596,1105 6.024,1106 5.02,1107 4.98,1108 6.975,1109 3.925,1110 15.9,1111 4.894,1112 14.871,1113 1.442,1114 1.483,1115 1.491,1116 1.433,1117 1.433,1118 1.825,1119 0.365,1120 3.859,1121 1.359,1122 3.987,1123 4.016,1124 3.939,1125 3.894,1126 7.474,1127 3.9,1128 3.809,1129 3.854,1130 3.768,1131 3.647,1132 6.351,1133 3.671,1134 3.715,1135 3.76,1136 3.592,1137 3.562,1138 5.291,1139 3.557,1140 3.396,1141 3.42,1142 3.289,1143 3.136,1144 4.98,1145 3.164,1146 3.236,1147 3.306,1148 3.082,1149 3.003,1150 4.898,1151 3.013,1152 3.202,1153 3.28,1154 3.058,1155 2.951,1156 4.574,1157 2.963,1158 3.003,1159 3.126,1160 2.845,1161 2.696,1162 4.447,1163 2.714,1164 2.906,1165 2.952,1166 2.724,1167 2.645,1168 4.151,1169 2.657,1170 0.167,1171 0.138,1172 0.24,1173 0.152,1174 0.115,1175 4.331,1176 0.153,1177 3.596,1178 0.09,1179 6.251,1180 0.363,1181 3.951,1182 0.111,1183 2.98,1184 3.975,1185 2.341,1186 9.444,1187 2.894,1188 1.932,1189 1.912,1190 2.029,1191 2.05,1192 1.28,1193 2.042,1194 1.739,1195 1.695,1196 1.944,1197 1.933,1198 1.204,1199 1.924,1200 1.689,1201 1.64,1202 1.813,1203 1.869,1204 0.872,1205 1.869,1206 1.295,1207 1.259,1208 1.576,1209 1.589,1210 0.763,1211 1.572,1212 1.182,1213 1.108,1214 1.536,1215 1.495,1216 0.572,1217 1.511,1218 1.155,1219 1.083,1220 1.397,1221 1.421,1222 0.402,1223 1.42,1224 0.909,1225 0.798,1226 1.235,1227 1.295,1228 0.219,1229 1.295,1230 0.824,1231 0.772,1232 1.114,1233 1.159,1234 0.108,1235 1.139,1236 3.97,1238 5.242,1240 6.696,1242 8.242,1244 9.84,1246 1.591,1250 11.401,1251 8.621,1252 2.329,1254 11.062,1262 28.686,1263 77.471,1264 180.205,1265 227.556,1266 240.311,1267 242.311,1268 242.311,1269 55.912,1270 6.675,1271 133.58,1272 133.58,1273 12,1274 12.048,1275 3.807,1276 3,1277 51.764,1278 97,1279 113,1280 0.253,1281 181.724,1282 316.82,1283 435.166,1284 6458,1286 18.234,1287 0.729,1288 0.563,1289 18.234,1290 14.066,1291 11.99,1292 0.461,1293 0.303,1294 7.722,1295 11.345,1296 7.548,1297 6.288,1298 11.99,1299 7.877,1300 10.531,1301 0.31,1302 0.161,1303 10.531,1304 5.488,1305 7.881,1306 0.197,1307 0.09,1308 7.881,1309 3.603,1310 6.142,1311 0.128,1312 0.048,1313 6.142,1314 2.327,1315 4.754,1316 0.081,1317 0.025,1318 4.754,1319 1.498,1320 0.402,1321 76.56,1322 0.245,1323 24.737,1324 0.675,1325 120,1326 423.271,1327 136.9,1328 398.566,1329 525.1,1330 370,1331 134,1332 369.638,1333 148.299,1334 371.36,1335 530.65,1336 346,1337 5.373}
{0 CHEMBL37696,1 1.677,2 10.708,3 1.586,4 2.514,5 90.585,6 7.555,7 0.48,8 3.885,9 4.004,10 3.426,11 3.307,12 5.119,13 3.324,14 4.366,15 4.531,16 3.737,17 3.641,18 5.643,19 3.63,20 4.556,21 4.736,22 3.752,23 3.759,24 5.683,25 3.73,26 4.632,27 4.836,28 3.666,29 3.774,30 5.739,31 3.709,32 4.642,33 4.866,34 3.646,35 3.769,36 5.749,37 3.676,38 4.591,39 4.837,40 3.653,41 3.698,42 5.623,43 3.622,44 4.525,45 4.739,46 3.613,47 3.603,48 5.684,49 3.554,50 4.471,51 4.7,52 3.373,53 3.49,54 5.617,55 3.416,56 0.14,57 0.627,58 9.138,59 3.598,60 19.704,61 4.717,62 0.444,63 0.901,64 16.689,65 6.131,66 56.443,67 8.019,68 0.468,69 1.034,70 20.814,71 6.717,72 55.304,73 9.232,74 0.566,75 1.065,76 23.203,77 7.372,78 66.553,79 10.212,80 0.704,81 1.055,82 24.01,83 7.707,84 71.435,85 11.278,86 0.49,87 0.998,88 23.005,89 7.162,90 49.365,91 10.85,92 0.552,93 0.913,94 21.334,95 6.297,96 46.589,97 9.185,98 0.531,99 0.841,100 20.542,101 5.44,102 63.079,103 8.168,104 34,105 33,106 0.294,107 0.683,108 0.848,109 0.883,110 0.891,111 0.891,112 3.228,113 0.885,114 -2.98,115 -2.98,116 -2.88,119 36.4,121 3,124 1,125 1,139 3,140 2,141 2,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 5,167 1,169 1,170 8,172 3,173 4,175 2,178 4,179 1,180 1,182 9,187 2,189 4,191 1,193 4,194 1,195 1,196 1,197 1,198 2,200 2,201 4,204 2,205 1,206 2,207 3,210 1,212 2,215 5,218 2,220 2,221 2,223 1,224 1,226 2,229 3,230 2,231 2,233 2,234 5,236 1,237 1,239 4,241 2,242 2,243 2,246 3,248 1,249 1,251 3,254 1,255 1,256 1,260 3,261 1,262 1,263 1,265 3,269 1,270 2,273 946,274 15.87,275 15.87,276 15.87,277 15.87,278 15.87,279 14.11,280 23.131,281 9.542,282 16.364,283 12.276,284 12.276,285 12.276,286 12.276,287 12.276,288 9.602,289 29.607,290 4.485,291 12.975,292 3.783,293 1.564,294 0.625,295 0.426,296 0.381,297 0.381,298 3.89,300 1,301 1,302 1,303 521,304 3.464,307 169.844,314 1.733,315 30.653,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 54,327 257,328 4.331,329 3.596,330 6.251,331 3.951,332 2.98,333 3.975,334 2.341,335 9.444,336 2.894,337 4.161,338 3.264,339 5.984,340 3.715,341 2.765,342 3.813,343 0.86,344 8.479,345 2.627,346 3.581,347 2.951,348 5.253,349 3.256,350 2.301,351 2.884,352 0.86,353 6.648,354 2.219,355 3.537,356 2.731,357 4.963,358 3.171,359 2.203,360 2.747,361 0.68,362 5.821,363 2.076,364 3.439,365 2.324,366 4.657,367 3.021,368 2.1,369 2.707,371 5.177,372 1.928,373 2.928,374 1.953,375 4.42,376 2.544,377 1.596,378 2.074,380 4.275,381 1.509,382 2.773,383 1.729,384 4.075,385 2.338,386 1.384,387 1.889,389 3.499,390 1.307,391 2.493,392 1.485,393 3.511,394 2.292,395 1.339,396 1.476,398 2.857,399 1.27,400 1.904,401 1.155,402 3.122,403 1.616,404 0.713,405 0.818,407 1.393,408 0.636,409 1.59,410 0.963,411 2.882,412 1.318,413 0.38,414 0.437,415 0.884,416 0.353,417 1.452,418 0.615,419 2.631,420 1.195,421 0.287,422 0.323,423 0.53,424 0.258,425 0.971,426 0.444,427 2.359,428 0.646,429 -0.285,430 -0.335,431 -0.551,432 -0.262,433 0.807,434 0.131,435 2.301,436 0.477,437 -0.486,438 -0.567,439 -1.24,440 -0.459,441 0.783,442 -0.149,443 2.175,444 0.392,445 -0.516,446 -0.621,448 -1.267,449 -0.47,450 0.499,451 -0.314,452 1.932,453 0.078,454 -0.905,455 -1.023,457 -2,458 -0.835,459 10.933,460 0.456,461 0.596,462 0.025,463 31,464 1.292,465 15.5,466 0.646,467 15.5,468 0.646,469 17.62,470 0.734,471 27.467,472 0.624,473 23.247,474 0.969,475 6.388,476 0.266,477 5.102,478 0.213,479 0.18,481 0.32,485 0.969,486 1.34,487 0.833,488 1.159,489 0.926,490 0.978,491 0.848,492 0.952,493 0.815,494 1.027,495 0.477,496 0.943,497 1.213,498 1.174,499 1.072,500 1.097,501 1.038,502 1.061,503 1.142,504 0.999,505 1.176,506 1.099,507 0.952,508 1.143,509 0.662,510 1.046,511 0.969,512 1.077,513 0.715,514 1.097,515 0.59,516 1.022,517 0.756,518 1.01,519 0.428,520 0.937,521 0.993,522 1.139,523 0.967,524 1.091,525 0.635,526 1.045,527 1.2,528 1.043,529 1.234,530 1.081,531 1.219,532 1.141,533 5.5,534 0.103,535 2.444,536 1.25,537 1.307,538 0.611,539 0.549,540 0.366,541 0.259,542 0.152,543 6013,544 20914,545 1.948,546 45.5,547 2,548 8,550 1,551 5,552 2,553 2,555 1.669,556 1.8,557 3.374,558 2.702,559 1,560 1,562 1,564 73.776,565 1.677,566 3.896,567 4.834,568 5.033,569 5.079,570 5.079,571 2.907,572 4.085,573 4.549,574 3.558,575 981.909,576 7.858,577 11921,579 1,581 1,582 240.215,583 1.49,584 4.498,585 0.22,586 0.009,587 0.074,588 0.038,589 0.045,590 0.022,591 0.019,592 0.014,593 0.013,594 0.01,595 0.462,596 0.17,597 1,598 1.725,599 115.56,600 -0.152,601 -0.052,602 -0.003,603 -0.005,604 -0.166,605 0.037,606 0.097,607 0.168,608 0.093,609 0.06,610 0.228,611 0.064,612 -0.223,613 -0.103,614 -0.143,615 -0.047,616 -0.179,617 -0.071,618 -0.188,619 0.035,620 -0.233,621 -0.08,622 -0.158,623 -0.157,624 0.166,625 -0.064,626 -0.026,627 -0.043,628 0.031,629 -0.074,630 0.145,631 -0.051,632 0.193,633 0.001,634 0.108,635 0.092,636 0.004,637 -0.161,638 0.005,639 -0.095,640 0.073,641 -0.061,642 -0.198,643 -0.057,644 -0.251,645 -0.142,646 -0.184,647 -0.193,648 2.507,649 3.503,650 0.5,651 23.868,652 1.018,653 1.14,654 1.751,655 3.065,656 0.635,657 3.258,658 3.526,659 3.689,660 3.871,661 4.078,662 4.094,663 4.111,664 4.143,665 4.205,666 4.143,667 6.354,668 0.617,669 332.4,670 3.258,671 4.762,672 5.565,673 6.409,674 7.235,675 8.085,676 8.924,677 9.778,678 10.624,679 11.481,680 9.1,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 2,718 44,719 13,720 1,721 25,723 45,724 16,725 10,726 3,727 3,729 2,730 2,739 3,741 11,742 5,744 1,748 1,751 1,753 1,754 1,757 20,758 8,759 5,760 8,764 4,769 1,770 4,776 1,781 2,792 1,800 1,802 2,806 1,810 24,811 2,815 1,816 4,818 2,829 9.1,831 1,832 1,834 2,836 13.333,837 7.85,838 5.472,839 2.336,840 2.344,841 1.355,842 0.918,843 6.491,844 8.946,845 3.497,846 4.043,847 4.494,848 4.985,849 5.509,850 5.608,851 5.789,852 6.124,853 6.463,854 6.672,855 1,856 33,857 8.792,859 3.578,860 8.069,861 16.234,863 12.445,865 2.569,866 61.667,870 176.567,871 82.55,872 99.365,874 89.828,877 82.55,878 266.395,879 99.365,880 10.883,881 12.196,882 94.223,883 114.08,884 47.905,885 4.227,886 164.795,888 176.567,889 181.916,890 89.828,893 153.024,894 113.37,897 23.142,898 125.202,899 33.571,901 176.567,902 189.193,903 82.55,906 176.567,907 34.191,908 48.359,910 189.193,911 176.567,912 189.193,913 82.55,915 0.568,916 0.31,917 0.157,918 0.087,919 13,920 7,921 0.178,922 8,924 1,925 3.593,926 177.208,928 12,929 110.039,933 18.136,934 8.59,935 5.438,937 189.193,938 6.967,939 7.892,943 3.338,945 108.478,946 448.31,947 32,951 10.503,954 -0.84,956 44.785,957 50.152,958 0.307,959 0.714,960 0.885,961 0.922,962 0.93,963 0.93,964 4.7,965 1.339,966 5.533,967 3.499,968 4.205,969 4.727,970 2.599,971 6.267,972 4.104,973 5.89,974 0.713,975 7.05,976 2.857,977 3.761,978 4.543,979 2.243,980 7.034,981 3.627,982 7.179,983 0.38,984 8.662,985 1.393,986 5.727,987 6.856,988 3.696,989 10.06,990 5.546,991 8.5,992 0.287,993 10.329,994 0.884,995 6.043,996 7.416,997 4.112,998 11.622,999 5.827,1000 9.848,1001 -0.285,1002 12.031,1003 0.53,1004 7.503,1005 9.257,1006 5.211,1007 14.17,1008 7.253,1009 11.214,1010 -0.486,1011 13.758,1012 -0.551,1013 8.188,1014 10.174,1015 5.889,1016 16.083,1017 7.905,1018 12.596,1019 -0.516,1020 15.503,1021 -1.24,1022 9.43,1023 11.803,1024 6.85,1025 18.446,1026 9.118,1027 2.98,1028 -0.905,1029 17.262,1030 -1.267,1031 10.306,1032 12.914,1033 7.625,1034 20.524,1035 9.961,1036 2.765,1037 9.444,1038 19.032,1039 -2,1040 11.45,1041 14.431,1042 8.526,1043 22.809,1044 11.078,1045 2.301,1046 8.479,1047 20.811,1048 3.975,1049 12.424,1050 15.649,1051 9.342,1052 24.965,1053 12.02,1054 2.203,1055 6.648,1056 22.598,1057 3.813,1058 13.525,1059 17.104,1060 10.216,1061 27.217,1062 13.094,1063 2.1,1064 5.821,1065 24.39,1066 2.884,1067 14.549,1068 18.385,1069 11.051,1070 29.41,1071 14.087,1072 1.596,1073 5.177,1074 26.187,1075 2.747,1076 15.633,1077 19.803,1078 11.912,1079 31.649,1080 15.144,1081 1.384,1082 4.275,1083 27.988,1084 2.707,1085 16.682,1086 21.12,1087 12.755,1088 33.863,1089 16.164,1090 6186,1091 11622,1092 16.008,1093 27.932,1094 36.219,1095 37.261,1096 37.433,1097 36.067,1098 36.094,1099 46.286,1100 9.482,1101 98.017,1102 34.153,1103 5.218,1104 5.596,1105 5.94,1106 5.02,1107 4.98,1108 6.975,1109 3.925,1110 15.9,1111 4.894,1112 14.358,1113 1.449,1114 1.49,1115 1.497,1116 1.443,1117 1.444,1118 1.851,1119 0.379,1120 3.921,1121 1.366,1122 3.986,1123 4.015,1124 3.939,1125 3.894,1126 7.474,1127 3.9,1128 3.808,1129 3.852,1130 3.768,1131 3.646,1132 6.351,1133 3.671,1134 3.678,1135 3.716,1136 3.566,1137 3.504,1138 5.291,1139 3.507,1140 3.311,1141 3.34,1142 3.21,1143 3.038,1144 4.98,1145 3.067,1146 3.219,1147 3.301,1148 3.075,1149 2.975,1150 4.898,1151 2.991,1152 3.164,1153 3.222,1154 2.998,1155 2.889,1156 4.573,1157 2.907,1158 3,1159 3.122,1160 2.842,1161 2.695,1162 4.447,1163 2.714,1164 2.82,1165 2.919,1166 2.663,1167 2.607,1168 4.137,1169 2.614,1170 0.173,1171 0.144,1172 0.25,1173 0.158,1174 0.119,1175 4.331,1176 0.159,1177 3.596,1178 0.094,1179 6.251,1180 0.378,1181 3.951,1182 0.116,1183 2.98,1184 3.975,1185 2.341,1186 9.444,1187 2.894,1188 1.932,1189 1.912,1190 2.027,1191 2.05,1192 1.22,1193 2.041,1194 1.734,1195 1.692,1196 1.889,1197 1.927,1198 1.178,1199 1.906,1200 1.636,1201 1.591,1202 1.807,1203 1.836,1204 0.865,1205 1.838,1206 1.206,1207 1.157,1208 1.568,1209 1.529,1210 0.574,1211 1.534,1212 1.165,1213 1.089,1214 1.407,1215 1.455,1216 0.516,1217 1.442,1218 1.082,1219 1.033,1220 1.354,1221 1.397,1222 0.399,1223 1.383,1224 0.908,1225 0.797,1226 1.234,1227 1.29,1228 0.116,1229 1.292,1230 0.792,1231 0.714,1232 1.103,1233 1.079,1235 1.097,1236 3.932,1238 5.209,1240 6.671,1242 8.223,1244 9.826,1246 1.578,1250 11.368,1251 8.628,1252 1.296,1254 10.936,1262 27.159,1263 73.776,1264 171.406,1265 212.705,1266 221.46,1267 223.46,1268 223.46,1269 51.623,1270 6.603,1271 133.58,1272 133.58,1273 12,1274 12.036,1275 3.807,1276 3,1277 48.426,1278 87,1279 100,1280 0.264,1281 172.131,1282 299.52,1283 411.761,1284 5757,1286 17.527,1287 0.73,1288 0.557,1289 17.527,1290 13.359,1291 11.49,1292 0.46,1293 0.295,1294 7.222,1295 10.845,1296 7.057,1297 5.872,1298 11.49,1299 7.377,1300 10.177,1301 0.308,1302 0.156,1303 10.177,1304 5.135,1305 7.631,1306 0.196,1307 0.086,1308 7.631,1309 3.353,1310 5.965,1311 0.127,1312 0.046,1313 5.965,1314 2.172,1315 4.633,1316 0.08,1317 0.024,1318 4.633,1319 1.387,1320 0.416,1321 73.56,1322 0.25,1323 23.724,1324 0.717,1325 116,1326 419.271,1327 132.9,1328 394.404,1329 519.34,1330 366,1331 130,1332 365.638,1333 144.299,1334 367.199,1335 524.89,1336 342,1337 5.577}
{0 CHEMBL38158,1 1.582,2 12.321,3 3.612,4 13.044,5 109.68,6 7.569,7 0.6,8 4.006,9 4.124,10 3.563,11 3.531,12 5.223,13 3.523,14 4.477,15 4.636,16 3.896,17 3.903,18 5.727,19 3.865,20 4.692,21 4.867,22 3.949,23 4.054,24 5.808,25 3.99,26 4.845,27 5.059,28 3.832,29 4.057,30 5.936,31 3.953,32 4.834,33 5.086,34 3.749,35 4.011,36 5.777,37 3.887,38 4.745,39 4.992,40 3.791,41 3.94,42 5.73,43 3.841,44 4.681,45 4.892,46 3.726,47 3.897,48 5.731,49 3.806,50 4.707,51 4.965,52 3.566,53 3.809,54 5.739,55 3.696,56 0.084,57 0.723,58 9.95,59 4.333,60 17.389,61 5.477,62 0.33,63 1.099,64 17.532,65 7.515,66 49.099,67 9.669,68 0.179,69 1.33,70 21.865,71 9.049,72 32.036,73 12.049,74 0.411,75 1.433,76 27.959,77 10.377,78 64.656,79 13.965,80 0.321,81 1.382,82 28.893,83 10.647,84 57.906,85 15.121,86 0.424,87 1.279,88 26.444,89 9.444,90 50.696,91 13.518,92 0.302,93 1.226,94 23.656,95 8.632,96 48.653,97 11.779,98 0.446,99 1.225,100 25.927,101 8.003,102 67.449,103 11.635,104 30,105 41,106 0.266,107 0.632,108 0.769,109 0.842,110 0.858,111 0.871,112 3.374,113 0.881,114 -4.67,115 -4.58,116 -4.31,119 42,121 3,124 1,139 7,140 5,141 1,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 15,167 1,169 1,170 5,172 3,173 4,175 2,178 18,179 2,180 1,182 7,187 3,189 17,190 2,191 1,193 6,195 1,196 1,197 1,198 4,200 2,201 13,202 1,204 2,205 1,207 4,212 3,215 12,216 1,218 2,220 2,221 6,223 1,224 1,226 4,229 11,230 1,231 3,234 6,239 4,241 9,242 1,243 3,246 5,248 1,249 1,251 4,254 6,255 2,256 3,260 6,265 5,268 3,269 2,270 3,273 1294,274 18.679,275 18.679,276 18.679,277 18.679,278 18.679,279 16.258,280 22.583,281 10.929,282 19.036,283 14.71,284 14.71,285 14.71,286 14.71,287 14.71,288 11.047,289 25.347,290 5.103,291 15.192,292 4.062,293 1.884,294 1.063,295 0.63,296 0.535,297 0.455,298 4.055,300 1,301 1,302 1,303 724,304 3.317,307 301.342,314 1.893,315 29.086,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 61,327 345,328 4.331,329 3.576,330 6.251,331 3.957,332 2.981,333 3.976,334 1.437,335 9.445,336 2.912,337 4.172,338 3.256,339 5.984,340 3.789,341 2.791,342 3.814,343 0.86,344 8.48,345 2.781,346 4.154,347 2.938,348 5.929,349 3.721,350 2.76,351 3.754,352 0.68,353 8.228,354 2.651,355 3.717,356 2.772,357 5.361,358 3.404,359 2.41,360 3.051,362 6.956,363 2.389,364 3.533,365 2.489,366 5.177,367 3.169,368 2.187,369 2.859,371 6.439,372 2.144,373 3.436,374 2.324,375 4.963,376 3.021,377 2.095,378 2.742,380 5.821,381 1.932,382 2.928,383 1.951,384 4.42,385 2.544,386 1.595,387 2.074,389 4.273,390 1.509,391 2.787,392 1.913,393 4.074,394 2.302,395 1.346,396 1.889,398 3.497,399 1.283,400 2.773,401 1.494,402 3.798,403 2.291,404 1.292,405 1.794,407 3.003,408 1.27,409 2.5,410 1.139,411 3.414,412 2,413 1,414 1.5,415 2.275,416 1,417 2.019,418 1,419 3.25,420 1.775,421 0.816,422 0.947,423 1.78,424 0.774,425 1.744,426 0.77,427 3.1,428 1.478,429 0.53,430 0.621,431 1.14,432 0.498,433 1.53,434 0.615,435 2.77,436 1.235,437 0.314,438 0.369,439 0.626,440 0.288,441 1.042,442 0.449,443 2.444,444 0.718,445 -0.24,446 -0.288,448 -0.474,449 -0.226,450 0.934,451 0.147,452 2.359,453 0.593,454 -0.381,455 -0.469,457 -0.94,458 -0.372,459 13.1,460 0.468,461 0.715,462 0.026,463 38.5,464 1.375,465 21,466 0.75,467 17.5,468 0.625,469 20.811,470 0.743,471 30.1,472 0.602,473 29.479,474 1.053,475 7.838,476 0.28,477 5.619,478 0.201,479 0.15,481 0.344,485 0.93,486 1.116,487 0.825,488 0.97,489 0.909,490 0.883,491 0.643,492 0.859,493 0.794,494 0.941,495 0.417,496 0.912,497 0.8,498 1.227,499 1.008,500 1.226,501 0.681,502 1.165,503 1.011,504 1.018,505 1.177,506 1.154,507 0.917,508 1.194,509 0.689,510 0.98,511 0.922,512 1.029,513 0.716,514 1.021,515 0.605,516 0.89,517 0.804,518 0.897,519 0.438,520 0.891,521 1.027,522 1.212,523 1.092,524 1.156,525 0.89,526 1.148,527 1.003,528 0.876,529 1.136,530 0.928,531 0.995,532 1.015,533 6.5,534 0.14,535 3.333,536 1.375,537 1.649,538 0.882,539 0.527,540 0.434,541 0.332,542 0.207,543 10060,544 31240,545 2.013,546 44,547 6,548 10,550 1,551 5,555 1.708,556 1.867,557 3.571,558 2.467,560 1,564 79.092,565 1.582,566 3.76,567 4.581,568 5.014,569 5.109,570 5.189,571 3.071,572 4.084,573 4.777,574 3.754,575 1419.12,576 8.297,577 19423.3,579 1,581 1,582 282.193,583 1.47,584 4.727,585 0.217,586 0.006,587 0.081,588 0.033,589 0.047,590 0.027,591 0.015,592 0.014,593 0.013,594 0.008,595 0.461,597 1,598 0.887,599 142.751,600 -0.13,601 0.067,602 -0.002,603 0.084,604 -0.16,605 0.074,606 0.192,607 0.228,608 0.084,609 0.107,610 0.247,611 0.073,612 -0.069,613 -0.164,614 -0.131,615 -0.186,616 -0.018,617 -0.171,618 -0.11,619 -0.03,620 -0.228,621 -0.152,622 -0.074,623 -0.204,624 -0.002,625 -0.05,626 0.043,627 -0.014,628 -0.021,629 0.017,630 0.15,631 0.061,632 0.168,633 0.104,634 0.089,635 0.131,636 -0.125,637 -0.23,638 -0.142,639 -0.151,640 -0.114,641 -0.156,642 -0.117,643 0.118,644 -0.138,645 0.007,646 -0.139,647 -0.046,648 2.586,649 3.945,650 0.643,651 28.959,652 1.007,653 1.127,654 3.435,655 11.802,656 0.665,657 3.434,658 3.738,659 3.951,660 4.127,661 4.357,662 4.382,663 4.382,664 4.443,665 4.595,666 4.585,667 7.21,668 0.639,669 378.47,670 3.434,671 4.963,672 5.79,673 6.645,674 7.488,675 8.345,676 9.193,677 10.051,678 10.902,679 11.76,680 8,684 2,690 2,695 8,696 2,700 8,702 18,709 1,711 2,716 1,718 50,719 19,720 2,721 30,723 52,724 21,725 16,726 5,727 7,728 1,729 3,730 3,739 3,741 17,742 4,744 1,748 1,751 1,754 1,757 22,758 7,759 5,760 7,764 4,769 1,770 3,776 1,781 3,800 1,802 3,806 1,810 28,811 2,815 1,816 3,818 1,829 6,831 1,832 1,834 1,836 15,837 9.017,838 6.25,839 2.704,840 3.292,841 1.455,842 0.962,843 6.243,844 10.525,845 3.714,846 4.311,847 4.834,848 5.328,849 5.866,850 5.975,851 6.152,852 6.445,853 6.899,854 7.192,855 1,856 42,857 10.275,859 4.284,860 7.929,861 19.26,863 15.351,865 2.429,866 68,868 1,869 1,870 200.109,871 120.176,872 99.365,874 78.828,877 120.176,878 278.937,879 99.365,880 10.883,881 7.604,882 132.128,883 114.08,884 41.219,885 4.227,886 188.338,888 200.109,889 219.541,890 78.828,893 200.109,894 78.828,897 18.55,898 167.42,899 33.571,901 200.109,902 178.194,903 120.176,906 200.109,907 33.912,908 86.264,910 178.194,911 200.109,912 178.194,913 120.176,915 0.58,916 0.334,917 0.166,918 0.091,919 18,920 9,921 0.135,922 7,924 1,925 3.984,926 228.838,928 18,929 130.606,933 19.804,934 8.827,935 5.075,937 178.194,938 14.625,939 8.018,943 5.57,945 108.478,946 498.478,947 40,951 10.945,954 -0.919,956 50.342,957 56.358,958 0.28,959 0.666,960 0.812,961 0.888,962 0.905,963 0.919,964 4.931,965 1.346,966 5.771,967 4.273,968 4.419,969 4.997,970 2.019,971 6.532,972 4.363,973 6.141,974 1.292,975 7.309,976 3.497,977 4.007,978 4.796,980 7.338,981 3.928,982 7.443,983 1,984 8.938,985 3.003,986 5.979,987 7.17,988 2.402,989 10.35,990 5.883,991 8.775,992 0.816,993 10.619,994 2.275,995 6.33,996 7.71,998 11.918,999 6.209,1000 10.133,1001 0.53,1002 12.332,1003 1.78,1004 7.785,1005 9.587,1006 2.975,1007 14.441,1008 7.653,1009 11.508,1010 0.314,1011 14.066,1012 1.14,1013 8.489,1014 10.48,1016 16.341,1017 8.33,1018 12.897,1019 -0.24,1020 15.814,1021 0.626,1022 9.725,1023 12.128,1024 3.637,1025 18.678,1026 9.555,1027 2.981,1028 -0.381,1029 17.574,1030 -0.474,1031 10.604,1032 13.213,1034 20.736,1035 10.409,1036 2.791,1037 9.445,1038 19.342,1039 -0.94,1040 11.742,1041 14.739,1042 4.336,1043 22.998,1044 11.533,1045 2.76,1046 8.48,1047 21.118,1048 3.976,1049 12.71,1050 15.934,1052 25.135,1053 12.477,1054 2.41,1055 8.228,1056 22.898,1057 3.814,1058 13.804,1059 17.391,1060 5.05,1061 27.368,1062 13.554,1063 2.187,1064 6.956,1065 24.684,1066 3.754,1067 14.819,1068 18.651,1070 29.546,1071 14.546,1072 2.095,1073 6.439,1074 26.473,1075 3.051,1076 15.894,1077 20.068,1078 5.77,1079 31.77,1080 15.603,1081 1.595,1082 5.821,1083 28.266,1084 2.859,1085 16.933,1086 21.368,1088 33.969,1089 16.619,1090 9881,1091 17528,1092 19.592,1093 33.239,1094 44.584,1095 45.438,1096 45.914,1097 44.24,1098 44.236,1099 58.78,1100 5.953,1101 123.925,1102 42.867,1103 5.167,1104 5.576,1105 5.794,1106 5.026,1107 4.981,1108 6.976,1109 2.873,1110 15.9,1111 4.912,1112 15.985,1113 1.486,1114 1.515,1115 1.53,1116 1.475,1117 1.475,1118 1.959,1119 0.198,1120 4.131,1121 1.429,1122 4.021,1123 4.049,1124 3.964,1125 3.952,1126 7.475,1127 3.95,1128 3.916,1129 3.944,1130 3.865,1131 3.847,1132 6.351,1133 3.846,1134 3.809,1135 3.853,1136 3.767,1137 3.66,1138 5.291,1139 3.681,1140 3.455,1141 3.49,1142 3.362,1143 3.297,1144 4.979,1145 3.302,1146 3.254,1147 3.305,1148 3.15,1149 3.021,1150 4.845,1151 3.043,1152 3.214,1153 3.281,1154 3.074,1155 2.971,1156 4.686,1157 2.986,1158 3.08,1159 3.149,1160 2.893,1161 2.825,1162 4.448,1163 2.83,1164 2.994,1165 3.1,1166 2.833,1167 2.735,1168 4.366,1169 2.715,1170 0.144,1171 0.119,1172 0.208,1173 0.132,1174 0.099,1175 4.331,1176 0.133,1177 3.576,1178 0.048,1179 6.251,1180 0.315,1181 3.957,1182 0.097,1183 2.981,1184 3.976,1185 1.437,1186 9.445,1187 2.912,1188 1.982,1189 1.959,1190 2.095,1191 2.071,1192 1.32,1193 2.077,1194 1.904,1195 1.882,1196 2.005,1197 2.004,1198 1.167,1199 2.003,1200 1.743,1201 1.699,1202 1.84,1203 1.915,1204 0.968,1205 1.898,1206 1.418,1207 1.377,1208 1.643,1209 1.622,1210 0.77,1211 1.627,1212 1.18,1213 1.121,1214 1.543,1215 1.487,1216 0.569,1217 1.502,1218 1.155,1219 1.087,1220 1.391,1221 1.422,1222 0.406,1223 1.412,1224 0.996,1225 0.955,1226 1.235,1227 1.324,1228 0.271,1229 1.301,1230 0.908,1231 0.821,1232 1.181,1233 1.269,1234 0.218,1235 1.259,1236 4.111,1238 5.416,1240 6.911,1242 8.488,1244 10.106,1246 1.63,1250 11.516,1251 8.983,1252 2.159,1254 5.473,1262 31.971,1263 79.092,1264 188.012,1265 229.032,1266 250.683,1267 255.438,1268 259.438,1269 53.193,1270 7.233,1271 124.35,1272 124.35,1273 18,1274 12.313,1275 4.322,1276 3.459,1277 49.829,1278 121,1279 120,1280 0.199,1281 199.921,1282 346.05,1283 479.568,1284 13683,1286 20.096,1287 0.718,1288 0.555,1289 20.096,1290 15.553,1291 13.457,1292 0.449,1293 0.294,1294 8.688,1295 12.955,1296 8.454,1297 7.046,1298 13.457,1299 8.809,1300 12.101,1301 0.295,1302 0.158,1303 12.101,1304 6.464,1305 9.805,1306 0.192,1307 0.089,1308 9.805,1309 4.546,1310 7.594,1311 0.124,1312 0.049,1313 7.594,1314 3.004,1315 6.014,1316 0.078,1317 0.027,1318 6.014,1319 2.08,1320 0.319,1321 84.45,1322 0.226,1323 27.122,1324 0.53,1325 142,1326 435.535,1327 155.357,1328 424.68,1329 569.9,1330 394,1331 163,1332 410.184,1333 174.641,1334 420.525,1335 603.83,1336 392,1337 4.886}
{0 CHEMBL38332,1 1.553,2 14.793,3 3.867,4 14.95,5 113.59,6 6.823,7 0.4,8 4.145,9 4.275,10 3.6,11 3.587,12 5.265,13 3.567,14 4.673,15 4.862,16 3.885,17 3.941,18 5.795,19 3.878,20 4.919,21 5.149,22 3.901,23 4.068,24 5.872,25 3.976,26 4.972,27 5.217,28 3.827,29 4.079,30 5.918,31 3.96,32 4.98,33 5.238,34 3.799,35 4.067,36 5.876,37 3.934,38 4.945,39 5.207,40 3.829,41 3.997,42 5.887,43 3.885,44 4.875,45 5.115,46 3.758,47 3.92,48 5.866,49 3.819,50 4.812,51 5.066,52 3.572,53 3.854,54 5.76,55 3.727,56 0.074,57 0.819,58 13.643,59 5.274,60 14.993,61 7.36,62 0.385,63 1.212,64 24.426,65 8.973,66 55.872,67 12.475,68 0.393,69 1.415,70 31.983,71 10.362,72 54.193,73 15.354,74 0.496,75 1.447,76 34.038,77 11.001,78 65.565,79 16.236,80 0.498,81 1.427,82 34.317,83 11.178,84 60.696,85 16.82,86 0.526,87 1.347,88 33.433,89 10.334,90 63.158,91 15.734,92 0.599,93 1.248,94 31.439,95 9.322,96 64.203,97 13.994,98 0.493,99 1.186,100 29.39,101 8.543,102 61.935,103 13.163,104 39,105 38,106 0.256,107 0.583,108 0.756,109 0.839,110 0.884,111 0.895,112 3.407,113 0.988,114 -4.14,115 -4.09,116 -3.87,119 35.6,121 8,124 1,125 1,139 3,140 2,141 2,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 10,167 1,169 1,170 8,172 3,173 4,175 2,178 9,179 1,180 1,182 9,187 2,189 8,190 1,191 1,193 6,195 1,196 1,197 1,198 3,200 2,201 7,202 1,204 2,205 1,206 1,207 5,212 3,215 7,216 1,218 2,220 2,221 4,223 1,224 1,226 3,229 6,230 1,231 2,233 2,234 5,236 1,237 1,239 3,241 6,242 1,243 2,246 3,248 1,249 1,251 2,254 6,256 1,260 3,261 1,262 1,263 1,265 2,268 6,270 2,273 1659,274 19.405,275 19.405,276 19.405,277 19.405,278 19.405,279 17.645,280 23.131,281 12.042,282 19.9,283 14.776,284 14.776,285 14.776,286 14.776,287 14.776,288 12.102,289 28.299,290 5.735,291 15.475,292 4.33,293 2.348,294 1.297,295 0.792,296 0.521,297 0.453,298 4.076,301 1,302 1,303 873,304 4.123,307 219.759,314 2.297,315 31.778,318 1,319 0.83,320 0.83,321 1,322 1,323 0.83,324 0.5,325 0.86,326 64,327 429,328 4.331,329 3.596,330 6.251,331 3.951,332 2.98,333 3.975,334 2.341,335 9.444,336 2.894,337 4.161,338 3.264,339 5.984,340 3.715,341 2.765,342 3.813,343 0.86,344 8.479,345 2.627,346 3.571,347 2.951,348 5.253,349 3.242,350 2.283,351 2.883,352 0.86,353 6.647,354 2.224,355 3.55,356 2.732,357 4.963,358 3.202,359 2.236,360 2.746,361 0.68,362 5.821,363 2.091,364 3.44,365 2.324,366 4.659,367 3.023,368 2.101,369 2.71,371 5.184,372 1.93,373 2.928,374 1.964,375 4.42,376 2.843,377 1.847,378 2.074,380 4.275,381 1.837,382 2.876,383 1.894,384 4.075,385 2.544,386 1.596,387 1.889,389 3.737,390 1.509,391 2.773,392 1.688,393 3.876,394 2.486,395 1.501,396 1.877,398 3.497,399 1.472,400 2.556,401 1.492,402 3.563,403 2.293,404 1.345,405 1.55,407 3.055,408 1.271,409 2.128,410 1.333,411 3.187,412 2.013,413 1.05,414 1.101,415 2.149,416 1.001,417 1.873,418 1.081,419 3.097,420 1.616,421 0.701,422 0.792,423 1.368,424 0.633,425 1.595,426 0.852,427 2.826,428 1.415,429 0.461,430 0.497,431 0.987,432 0.435,433 1.498,434 0.615,435 2.628,436 1.239,437 0.316,438 0.367,439 0.632,440 0.29,441 1.068,442 0.488,443 2.359,444 0.905,445 -0.049,446 -0.052,448 -0.097,449 -0.046,450 0.94,451 0.2,452 2.34,453 0.63,454 -0.312,455 -0.366,457 -0.634,458 -0.291,459 13.433,460 0.463,461 0.596,462 0.021,463 33.5,464 1.155,465 15.5,466 0.534,467 18,468 0.621,469 26.322,470 0.908,471 33.967,472 0.576,473 24.723,474 0.853,475 6.388,476 0.22,477 7.602,478 0.262,479 0.146,481 0.261,485 0.933,486 1.376,487 0.921,488 1.239,489 0.882,490 1.091,491 0.783,492 1.079,493 0.917,494 1.161,495 0.441,496 1.089,497 1.032,498 1.107,499 0.984,500 1.061,501 0.877,502 1.023,503 0.999,504 0.987,505 1.064,506 1.064,507 0.828,508 1.078,509 0.785,510 1.037,511 0.943,512 1.055,513 0.746,514 1.036,515 0.808,516 0.991,517 0.853,518 0.983,519 0.724,520 0.939,521 1.152,522 1.048,523 1.036,524 1.014,525 0.861,526 1.019,527 1.121,528 1.005,529 1.156,530 1.039,531 1.008,532 1.091,533 5.5,534 0.091,535 2.444,536 1.25,537 1.307,538 0.667,539 0.508,540 0.366,541 0.246,542 0.147,543 11718,544 34379,545 1.957,546 50.8,547 12,548 8,550 1,551 5,552 2,553 2,555 1.714,556 1.832,557 3.795,558 2.46,560 1,564 91.631,565 1.553,566 3.535,567 4.586,568 5.09,569 5.361,570 5.429,571 3.28,572 4.651,573 4.82,574 4.02,575 1631.92,576 8.369,577 24537.7,579 1,581 1,582 347.076,583 1.384,584 4.785,585 0.183,586 0.005,587 0.064,588 0.033,589 0.038,590 0.02,591 0.015,592 0.012,593 0.01,594 0.007,595 0.387,596 0.17,597 0.88,598 2.378,599 153.23,600 -0.098,601 -0.04,602 0.009,603 -0.012,604 -0.094,605 0.021,606 0.132,607 0.064,608 0.035,609 -0.037,610 0.249,611 -0.03,612 -0.104,613 -0.073,614 -0.019,615 -0.014,616 -0.065,617 -0.003,618 -0.089,619 0.025,620 -0.1,621 -0.042,622 -0.062,623 -0.071,624 0.027,625 -0.065,626 0.007,627 -0.03,628 -0.029,629 -0.017,630 0.085,631 -0.034,632 0.116,633 0.011,634 0.034,635 0.058,636 -0.028,637 -0.083,638 -0.036,639 -0.025,640 -0.029,641 -0.04,642 -0.134,643 -0.012,644 -0.172,645 -0.069,646 -0.139,647 -0.118,648 2.385,649 3.463,650 0.414,651 38.642,652 1.003,653 1.139,654 2.914,655 8.493,656 0.623,657 3.434,658 3.664,659 3.807,660 3.97,661 4.159,662 4.174,663 4.174,664 4.22,665 4.277,666 4.22,667 8.547,668 0.59,669 402.55,670 3.434,671 4.92,672 5.707,673 6.532,674 7.344,675 8.179,676 9.005,677 9.848,678 10.684,679 11.532,680 6.8,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 2,718 59,719 13,720 1,721 30,723 60,724 21,725 10,726 3,727 3,729 2,730 2,739 8,741 11,742 10,744 1,748 1,751 1,754 1,757 30,758 8,759 5,760 8,764 4,769 1,770 4,776 1,781 2,792 1,800 1,802 2,806 1,810 29,811 2,815 1,816 9,818 2,829 6.8,831 1,832 1,834 2,836 15.833,837 10.35,838 6.722,839 3.586,840 2.291,841 1.331,842 0.914,843 9.847,844 9.221,845 3.638,846 4.127,847 4.549,848 5.019,849 5.529,850 5.626,851 5.792,852 6.124,853 6.455,854 6.65,855 0.9,856 38,857 10.682,859 4.287,860 7.885,861 20.316,863 15.779,865 2.385,866 69.167,868 1,869 1,870 294.278,871 95.223,872 99.365,874 89.828,877 95.223,878 384.106,879 99.365,880 10.883,881 24.869,882 94.223,883 114.08,884 47.905,885 4.227,886 282.506,888 294.278,889 194.588,890 89.828,893 270.735,894 113.37,897 35.815,898 125.202,899 33.571,901 294.278,902 189.193,903 95.223,906 294.278,907 46.864,908 48.359,910 189.193,911 294.278,912 189.193,913 95.223,915 0.556,916 0.3,917 0.152,918 0.083,919 13,920 7,921 0.217,922 13,924 1,925 4.201,926 218.615,928 12,929 140.881,933 23.075,934 12.375,935 8.359,937 189.193,938 7.334,939 8.001,943 3.736,945 108.478,946 578.694,947 37,951 10.463,954 -0.719,956 59.203,957 67.228,958 0.264,959 0.601,960 0.78,961 0.865,962 0.911,963 0.923,964 4.828,965 1.501,966 5.645,967 3.737,968 4.344,969 4.812,970 2.599,971 6.34,972 4.257,973 5.983,974 1.345,975 7.133,976 3.497,977 3.761,978 4.543,979 2.243,980 7.034,981 3.627,982 7.249,983 1.05,984 8.721,985 3.055,986 5.82,987 6.887,988 3.696,989 10.08,990 5.657,991 8.55,992 0.701,993 10.37,994 2.149,995 6.043,996 7.416,997 4.112,998 11.622,999 5.827,1000 9.884,1001 0.461,1002 12.059,1003 1.368,1004 7.556,1005 9.266,1006 5.211,1007 14.174,1008 7.322,1009 11.24,1010 0.316,1011 13.776,1012 0.987,1013 8.188,1014 10.174,1015 5.889,1016 16.083,1017 7.905,1018 12.615,1019 -0.049,1020 15.515,1021 0.632,1022 9.458,1023 11.806,1024 6.85,1025 18.447,1026 9.156,1027 2.98,1028 -0.312,1029 17.27,1030 -0.097,1031 10.306,1032 12.914,1033 7.625,1034 20.524,1035 9.961,1036 2.765,1037 9.444,1038 19.037,1039 -0.634,1040 11.463,1041 14.431,1042 8.526,1043 22.809,1044 11.097,1045 2.283,1046 8.479,1047 20.815,1048 3.975,1049 12.424,1050 15.649,1051 9.342,1052 24.965,1053 12.02,1054 2.236,1055 6.647,1056 22.6,1057 3.813,1058 13.531,1059 17.104,1060 10.216,1061 27.217,1062 13.104,1063 2.101,1064 5.821,1065 24.391,1066 2.883,1067 14.549,1068 18.385,1069 11.051,1070 29.41,1071 14.088,1072 1.847,1073 5.184,1074 26.188,1075 2.746,1076 15.636,1077 19.803,1078 11.912,1079 31.649,1080 15.149,1081 1.596,1082 4.275,1083 27.989,1084 2.71,1085 16.682,1086 21.12,1087 12.755,1088 33.863,1089 16.164,1090 11896,1091 20507,1092 19.474,1093 36.739,1094 42.493,1095 43.641,1096 43.696,1097 42.38,1098 42.366,1099 52.551,1100 9.482,1101 110.552,1102 40.43,1103 5.284,1104 5.596,1105 6.162,1106 5.02,1107 4.98,1108 6.975,1109 3.925,1110 15.9,1111 4.894,1112 16.821,1113 1.416,1114 1.455,1115 1.457,1116 1.413,1117 1.412,1118 1.752,1119 0.316,1120 3.685,1121 1.348,1122 3.989,1123 4.019,1124 3.94,1125 3.896,1126 7.474,1127 3.902,1128 3.813,1129 3.865,1130 3.768,1131 3.67,1132 6.351,1133 3.672,1134 3.787,1135 3.835,1136 3.645,1137 3.644,1138 5.291,1139 3.65,1140 3.623,1141 3.672,1142 3.488,1143 3.46,1144 4.98,1145 3.454,1146 3.396,1147 3.439,1148 3.261,1149 3.177,1150 4.898,1151 3.185,1152 3.247,1153 3.31,1154 3.091,1155 3.013,1156 4.574,1157 3.024,1158 3.208,1159 3.291,1160 3.068,1161 2.961,1162 4.447,1163 2.974,1164 3.067,1165 3.14,1166 2.871,1167 2.807,1168 4.194,1169 2.811,1170 0.144,1171 0.12,1172 0.208,1173 0.132,1174 0.099,1175 4.331,1176 0.133,1177 3.596,1178 0.078,1179 6.251,1180 0.315,1181 3.951,1182 0.096,1183 2.98,1184 3.975,1185 2.341,1186 9.444,1187 2.894,1188 1.932,1189 1.912,1190 2.05,1191 2.05,1192 1.404,1193 2.043,1194 1.798,1195 1.74,1196 2.019,1197 1.963,1198 1.218,1199 1.988,1200 1.729,1201 1.687,1202 1.876,1203 1.914,1204 1.19,1205 1.894,1206 1.61,1207 1.556,1208 1.811,1209 1.804,1210 0.913,1211 1.821,1212 1.344,1213 1.292,1214 1.626,1215 1.599,1216 0.856,1217 1.602,1218 1.19,1219 1.122,1220 1.564,1221 1.503,1222 0.579,1223 1.523,1224 1.16,1225 1.086,1226 1.401,1227 1.428,1228 0.563,1229 1.426,1230 1.013,1231 0.95,1232 1.342,1233 1.326,1234 0.401,1235 1.325,1236 4.111,1238 5.361,1240 6.79,1242 8.313,1244 9.892,1246 1.624,1250 11.494,1251 8.612,1252 7.303,1254 11.319,1262 34.793,1263 91.631,1264 208.573,1265 270.547,1266 300.321,1267 316.321,1268 320.321,1269 73.501,1270 6.93,1271 133.58,1272 133.58,1273 12,1274 12.095,1275 3.807,1276 3,1277 66.11,1278 145,1279 167,1280 0.214,1281 220.093,1282 386.02,1283 528.787,1284 9822,1286 21.062,1287 0.726,1288 0.583,1289 21.062,1290 16.894,1291 13.99,1292 0.466,1293 0.329,1294 9.722,1295 13.345,1296 9.508,1297 7.955,1298 13.99,1299 9.877,1300 11.945,1301 0.314,1302 0.182,1303 11.945,1304 6.903,1305 8.881,1306 0.202,1307 0.105,1308 8.881,1309 4.603,1310 6.849,1311 0.132,1312 0.058,1313 6.849,1314 3.034,1315 5.254,1316 0.083,1317 0.031,1318 5.254,1319 1.983,1320 0.353,1321 88.56,1322 0.227,1323 28.683,1324 0.542,1325 136,1326 439.271,1327 152.9,1328 415.212,1329 548.14,1330 386,1331 150,1332 385.638,1333 164.299,1334 388.007,1335 553.69,1336 362,1337 4.921}
{0 CHEMBL389051,1 1.699,2 14.629,3 3.304,4 10.916,5 126.997,6 8.233,7 0.459,8 4.168,9 4.273,10 3.778,11 3.655,12 5.487,13 3.677,14 4.635,15 4.777,16 4.142,17 4.021,18 6.047,19 4.017,20 4.927,21 5.099,22 4.22,23 4.192,24 6.186,25 4.169,26 5.052,27 5.247,28 4.206,29 4.225,30 6.318,31 4.186,32 5.046,33 5.24,34 4.196,35 4.224,36 6.425,37 4.174,38 4.999,39 5.203,40 4.145,41 4.184,42 6.448,43 4.119,44 4.889,45 5.085,46 4.044,47 4.091,48 6.25,49 4.032,50 4.82,51 5.03,52 3.953,53 3.942,54 6.132,55 3.911,56 0.234,57 0.85,58 10.06,59 4.742,60 43.542,61 5.406,62 0.579,63 1.314,64 17.718,65 7.695,66 92.812,67 9.628,68 0.726,69 1.624,70 26.684,71 9.988,72 116.845,73 12.522,74 0.959,75 1.713,76 33.293,77 11.413,78 155.703,79 14.478,80 1.06,81 1.667,82 33.425,83 12.036,84 191.848,85 15.375,86 1.154,87 1.59,88 32.484,89 11.908,90 189.748,91 15.552,92 0.783,93 1.436,94 28.178,95 10.829,96 151.66,97 14.041,98 0.758,99 1.342,100 27.437,101 8.755,102 121.763,103 11.351,104 82,105 51,106 0.274,107 0.692,108 0.827,109 0.889,110 0.895,111 0.895,112 3.588,113 0.849,114 -3.83,115 -3.79,116 -3.6,119 41.4,121 2,125 2,127 1,137 1,138 1,139 7,140 3,141 1,143 1,144 1,147 1,153 3,157 1,158 1,159 1,161 2,165 2,166 10,167 1,169 1,170 9,172 2,173 6,175 4,176 1,178 8,179 2,182 12,185 1,186 1,187 6,189 4,190 1,193 10,194 1,196 1,197 1,198 7,199 1,200 1,201 6,202 1,203 1,204 2,206 1,207 3,208 2,210 2,211 1,212 4,213 2,215 16,216 2,218 2,220 4,221 2,222 1,224 4,225 1,226 3,229 20,230 3,231 1,233 1,234 3,237 1,239 3,241 11,242 2,246 11,247 1,248 1,249 1,251 7,254 2,255 2,259 1,260 12,263 1,265 8,273 2423,274 22.955,275 22.955,276 22.955,277 22.955,278 22.955,279 20.231,280 27.234,281 13.573,282 23.292,283 18.203,284 18.203,285 18.203,286 18.203,287 18.203,288 13.999,289 31.551,290 6.367,291 18.773,292 4.159,293 1.566,294 0.731,295 0.345,296 0.31,297 0.31,298 4.266,301 1,303 1061,304 4.95,307 358.674,311 192.431,314 2.325,315 57.254,318 0.5,319 0.33,320 0.5,321 0.4,323 0.5,324 0.5,325 0.39,326 78.5,327 512,328 4.542,329 3.777,330 6.503,331 4.051,332 3.085,333 4.491,334 2.375,335 10.183,336 2.983,337 4.241,338 3.592,339 6.193,340 3.913,341 2.933,342 3.802,343 2.341,344 9.219,345 2.883,346 3.999,347 3.522,348 6.081,349 3.762,350 2.802,351 3.301,352 1.102,353 8.798,354 2.681,355 3.833,356 3.249,357 5.818,358 3.567,359 2.574,360 3.169,361 1.061,362 7.845,363 2.537,364 3.713,365 3.122,366 5.297,367 3.3,368 2.334,369 2.995,370 0.461,371 6.807,372 2.255,373 3.524,374 2.553,375 5.062,376 3.178,377 2.172,378 2.811,379 0.14,380 5.804,381 2.155,382 3.469,383 2.329,384 4.973,385 2.968,386 2.036,387 2.695,389 5.761,390 1.891,391 3.428,392 2.217,393 4.645,394 2.901,395 1.957,396 2.685,398 5.121,399 1.838,400 3.367,401 2.142,402 4.442,403 2.669,404 1.687,405 2.2,407 4.393,408 1.646,409 2.967,410 2.097,411 4.11,412 2.35,413 1.362,414 1.87,415 3.465,416 1.332,417 2.556,418 1.908,419 3.709,420 2.127,421 1.114,422 1.5,423 2.57,424 1.113,425 2.5,426 1.242,427 3.61,428 2,429 1.008,430 1.44,431 2.565,432 1,433 2.454,434 1.113,435 3.414,436 1.974,437 1,438 1.396,439 2.275,440 0.968,441 2.407,442 1.103,443 3.155,444 1.836,445 0.859,446 1.202,448 1.629,449 0.837,450 1.571,451 1,452 2.89,453 1.343,454 0.342,455 0.386,457 0.776,458 0.336,459 16,460 0.457,461 1,462 0.029,463 46.5,464 1.329,465 24,466 0.686,467 22.5,468 0.643,469 28.117,470 0.803,471 38,472 0.655,473 42.682,474 1.219,475 9.627,476 0.275,477 7.045,478 0.201,479 0.181,481 0.369,485 0.902,486 1.244,487 0.774,488 0.975,489 0.822,490 0.856,491 0.475,492 1.119,493 0.758,494 1.057,495 0.425,496 0.993,497 0.932,498 1.18,499 1.024,500 1.091,501 0.903,502 1.079,503 1.056,504 0.999,505 1.075,506 0.999,507 1.014,508 1.03,509 0.895,510 0.977,511 1.012,512 1.026,513 0.95,514 1.053,515 0.632,516 0.769,517 0.932,518 0.955,519 0.718,520 1.018,521 0.751,522 1.087,523 0.933,524 1.132,525 0.814,526 1.102,527 1.102,528 0.989,529 1.024,530 0.942,531 1.026,532 0.95,533 8.5,534 0.276,535 4.222,536 2.313,537 2.28,538 1.236,539 0.831,540 0.656,541 0.537,542 0.288,543 18097,544 66508,545 1.962,546 39.7,548 12,549 1,551 6,552 2,553 2,555 1.766,556 1.795,557 3.791,558 3.134,560 1,564 98.562,565 1.699,566 4.292,567 5.127,568 5.513,569 5.548,570 5.548,571 3.254,572 4.765,573 5.099,574 4.006,575 2383.37,576 8.945,577 38858.7,582 339.763,583 1.54,584 5.033,585 0.23,586 0.009,587 0.083,588 0.043,589 0.044,590 0.024,591 0.017,592 0.015,593 0.013,594 0.008,595 0.486,596 0.17,597 0.75,598 1.759,599 192.273,600 -0.166,601 -0.05,602 -0.03,603 0.077,604 -0.144,605 0.066,606 0.228,607 0.035,608 0.05,609 -0.035,610 0.2,611 -0.045,612 -0.107,613 -0.113,614 -0.131,615 -0.09,616 -0.108,617 -0.112,618 -0.137,619 -0.005,620 -0.109,621 -0.009,622 -0.118,623 -0.041,624 0.021,625 -0.017,626 -0.042,627 -0.008,628 -0.003,629 -0.037,630 0.231,631 0.187,632 0.045,633 0.067,634 0.158,635 0.016,636 0.071,637 -0.14,638 0.023,639 -0.086,640 0.046,641 -0.055,642 -0.163,643 -0.009,644 -0.025,645 0.027,646 -0.102,647 0.041,648 2.981,649 5.47,650 0.457,651 43.734,652 1.025,653 1.129,654 2.605,655 6.785,656 0.666,657 3.638,658 3.951,659 4.159,660 4.382,661 4.615,662 4.673,663 4.754,664 4.844,665 4.99,666 4.949,667 8.525,668 0.658,669 477.52,670 3.638,671 5.176,672 6.004,673 6.872,674 7.723,675 8.594,676 9.454,677 10.327,678 11.191,679 12.066,680 8.6,684 1,686 1,687 1,690 2,694 2,695 7,696 2,700 5,702 17,707 1,711 1,714 1,715 1,718 58,719 21,720 2,721 37,723 60,724 24,725 14,726 5,727 7,728 1,729 3,730 4,739 3,740 2,741 17,742 5,744 3,748 3,751 3,757 23,758 11,759 6,760 11,764 5,769 0.667,770 6,776 1,781 3,785 1,788 1,789 1,792 2,800 2,802 2,810 35,811 1,815 3,816 4,817 1,820 1,821 1,823 1,824 1,827 1,829 10.3,831 3,832 3,836 19.5,837 10.033,838 7.806,839 3.1,840 3.432,841 1.444,842 0.912,843 8.478,844 11.158,845 3.942,846 4.5,847 5.002,848 5.558,849 6.139,850 6.42,851 6.768,852 7.099,853 7.538,854 7.575,855 0.9,856 54,857 12.97,859 5.626,860 8.3,861 23.313,863 18.567,865 2.8,866 98,870 200.109,871 138.235,872 87.603,874 203.485,877 138.235,878 403.594,879 87.603,881 27.291,882 99.231,883 243.58,884 16.969,885 54.022,886 188.338,888 200.109,889 225.838,890 203.485,893 176.567,894 227.027,897 31.334,898 143.902,899 50.602,901 200.109,902 291.088,903 138.235,906 200.109,907 31.549,908 69.458,909 35.041,910 293.274,911 200.109,912 291.088,913 138.235,915 0.579,916 0.324,917 0.169,918 0.098,919 21,920 12,921 0.167,922 10,923 1,924 1.125,925 4.456,926 312.107,927 0.125,928 16,929 175.525,933 25.76,934 11.519,935 6.825,936 0.945,937 291.088,938 11.651,939 7.853,943 1.481,945 178.958,946 629.431,947 50.5,951 34.509,954 -3.102,956 59.425,957 65.485,958 0.29,959 0.733,960 0.875,961 0.941,962 0.947,963 0.947,964 5.183,965 1.957,966 5.999,967 5.761,968 4.635,969 5.187,970 3.161,971 6.786,972 4.575,973 6.401,974 1.687,975 7.551,976 5.121,977 4.29,978 5.056,979 2.903,980 7.647,981 4.194,982 7.707,983 1.362,984 9.199,985 4.393,986 6.213,987 7.357,988 4.406,989 10.698,990 6.094,991 9.041,992 1.114,993 10.9,994 3.465,995 6.621,996 8.005,997 4.835,998 12.341,999 6.468,1000 10.4,1001 1.008,1002 12.636,1003 2.57,1004 8.054,1005 9.839,1006 5.953,1007 14.916,1008 7.878,1009 11.779,1010 1,1011 14.394,1012 2.565,1013 8.811,1014 10.882,1015 6.633,1016 16.901,1017 8.602,1018 13.174,1019 0.859,1020 16.169,1021 2.275,1022 10.043,1023 12.522,1024 7.605,1025 19.296,1026 9.81,1027 3.085,1028 0.342,1029 17.957,1030 1.629,1031 10.972,1032 13.78,1033 8.385,1034 21.44,1035 10.706,1036 2.933,1037 10.183,1038 19.755,1039 0.776,1040 12.119,1041 15.332,1042 9.295,1043 23.766,1044 11.828,1045 2.802,1046 9.219,1047 21.561,1048 4.491,1049 13.132,1050 16.706,1051 10.118,1052 25.985,1053 12.809,1054 2.574,1055 8.798,1056 23.374,1057 3.802,1058 14.245,1059 18.222,1060 11,1061 28.286,1062 13.895,1063 2.334,1064 7.845,1065 25.192,1066 3.301,1067 15.301,1068 19.655,1069 11.843,1070 30.543,1071 14.919,1072 2.172,1073 6.807,1074 27.015,1075 3.169,1076 16.402,1077 21.157,1078 12.712,1079 32.838,1080 15.991,1081 2.036,1082 5.804,1083 28.842,1084 2.995,1085 17.479,1086 22.621,1087 13.563,1088 35.114,1089 17.037,1090 17971,1091 34565,1092 23.581,1093 38.608,1094 56.538,1095 57.498,1096 57.103,1097 54.967,1098 54.85,1099 72.298,1100 14.959,1101 155.176,1102 53.212,1103 5.453,1104 5.777,1105 6.267,1106 5.122,1107 5.085,1108 7.491,1109 3.989,1110 17.077,1111 4.983,1112 23.358,1113 1.528,1114 1.554,1115 1.543,1116 1.486,1117 1.482,1118 1.954,1119 0.404,1120 4.194,1121 1.438,1122 4.078,1123 4.108,1124 4.045,1125 3.988,1126 7.477,1127 3.997,1128 3.946,1129 3.975,1130 3.898,1131 3.861,1132 7.471,1133 3.865,1134 3.764,1135 3.803,1136 3.679,1137 3.589,1138 7.428,1139 3.602,1140 3.598,1141 3.648,1142 3.524,1143 3.448,1144 6.476,1145 3.457,1146 3.457,1147 3.5,1148 3.395,1149 3.288,1150 6.352,1151 3.303,1152 3.429,1153 3.452,1154 3.355,1155 3.177,1156 6.35,1157 3.222,1158 3.213,1159 3.225,1160 3.168,1161 2.999,1162 5.43,1163 3.033,1164 3.078,1165 3.127,1166 2.994,1167 2.897,1168 5.204,1169 2.91,1170 0.123,1171 0.102,1172 0.176,1173 0.109,1174 0.083,1175 4.542,1176 0.121,1177 3.777,1178 0.064,1179 6.503,1180 0.275,1181 4.051,1182 0.081,1183 3.085,1184 4.491,1185 2.375,1186 10.183,1187 2.983,1188 2.019,1189 1.994,1190 2.09,1191 2.127,1192 1.252,1193 2.115,1194 1.914,1195 1.889,1196 2.007,1197 2.024,1198 1.22,1199 2.018,1200 1.705,1201 1.664,1202 1.898,1203 1.906,1204 1.105,1205 1.9,1206 1.552,1207 1.504,1208 1.715,1209 1.738,1210 0.847,1211 1.731,1212 1.389,1213 1.34,1214 1.535,1215 1.613,1216 0.583,1217 1.583,1218 1.304,1219 1.283,1220 1.469,1221 1.577,1222 0.574,1223 1.554,1224 1.107,1225 1.078,1226 1.322,1227 1.354,1228 0.313,1229 1.328,1230 1.009,1231 0.973,1232 1.213,1233 1.285,1234 0.218,1235 1.253,1236 4.317,1238 5.631,1240 7.127,1242 8.711,1244 10.345,1250 5.567,1251 28.078,1252 0.016,1253 2.336,1256 -1.32,1257 1.866,1259 5.536,1261 2.584,1262 38.137,1263 98.562,1264 248.911,1265 297.357,1266 319.763,1267 321.763,1268 321.763,1269 109.808,1270 7.726,1271 178.97,1272 178.97,1273 18,1274 12.608,1275 4.459,1276 3.858,1277 70.729,1278 179,1279 172,1280 0.189,1281 238.699,1282 427.4,1283 574.186,1284 25245,1286 25.535,1287 0.73,1288 0.529,1289 25.535,1290 18.51,1291 16.672,1292 0.451,1293 0.283,1294 10.293,1295 15.924,1296 10.118,1297 8.36,1298 16.672,1299 10.467,1300 15.304,1301 0.3,1302 0.15,1303 15.304,1304 7.661,1305 11.682,1306 0.185,1307 0.082,1308 11.682,1309 5.158,1310 9.456,1311 0.12,1312 0.043,1313 9.456,1314 3.435,1315 7.682,1316 0.077,1317 0.023,1318 7.682,1319 2.293,1320 0.305,1321 105.584,1322 0.206,1323 32.652,1324 0.499,1325 176,1326 630.236,1327 199.054,1328 606.255,1329 789.91,1330 556,1331 202,1332 552.268,1333 221.902,1334 557.102,1335 804,1336 521,1337 7.125}
{0 CHEMBL389686,1 1.6,2 7.8,3 3.156,4 9.963,5 85.001,6 8.155,7 0.727,8 3.672,9 3.807,10 3.367,11 3.269,12 4.833,13 3.222,14 4.127,15 4.294,16 3.778,17 3.655,18 5.267,19 3.572,20 4.304,21 4.498,22 3.826,23 3.761,24 5.318,25 3.64,26 4.285,27 4.463,28 3.788,29 3.712,30 5.409,31 3.59,32 4.375,33 4.602,34 3.591,35 3.651,36 5.419,37 3.523,38 4.328,39 4.59,40 3.33,41 3.556,42 5.235,43 3.411,44 4.17,45 4.417,46 3.127,47 3.409,48 5.141,49 3.264,50 4.091,51 4.384,52 2.789,53 3.144,54 5.068,55 2.982,56 0.047,57 0.584,58 7.127,59 2.909,60 9.354,61 3.631,62 0.161,63 0.901,64 13.127,65 5.413,66 18.146,67 6.886,68 0.113,69 1.039,70 19.757,71 6.923,72 13.486,73 8.121,74 0.19,75 1.047,76 19.273,77 6.781,78 19.938,79 8.002,80 0.28,81 1.073,82 22.194,83 5.887,84 29.87,85 7.256,86 0.182,87 0.919,88 19.79,89 6.463,90 23.362,91 8.795,92 0.097,93 0.783,94 15.783,95 5.713,96 18.795,97 7.732,98 0.135,99 0.677,100 14.2,101 4.651,102 26.301,103 6.766,104 11,105 31,106 0.291,107 0.672,108 0.762,109 0.822,110 0.836,111 0.836,112 3.059,113 0.977,114 -4.75,115 -4.67,116 -4.39,119 40,120 1,121 1,139 5,140 2,141 1,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 7,169 1,170 2,172 3,173 4,175 4,178 9,180 1,182 2,187 2,189 7,191 1,193 3,195 1,196 2,197 3,198 5,200 4,201 4,204 2,205 1,207 3,212 5,215 6,218 3,221 2,226 3,229 7,231 2,234 4,239 3,241 4,243 3,246 3,251 4,254 1,256 4,260 1,265 3,270 3,273 460,274 13.593,275 13.593,276 13.593,277 13.593,278 13.593,279 11.615,280 12.186,281 8.017,282 14.006,283 10.826,284 10.826,285 10.826,286 10.826,287 10.826,288 7.836,289 12.36,290 3.748,291 11.556,292 3.529,293 1.441,294 0.946,295 0.615,296 0.536,297 0.536,298 3.737,300 1,301 1,302 1,303 334,304 2.345,306 38.149,307 108.218,310 74.256,314 1.14,315 13.916,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 42.5,327 156,328 4.711,329 4.577,330 6.922,331 4.235,332 3.278,333 4.683,334 2.95,335 11.654,336 3.141,337 3.971,338 3.388,339 5.821,340 3.52,341 2.617,342 3.501,344 8.015,345 2.358,346 3.773,347 2.911,348 5.323,349 3.312,350 2.37,351 3.277,353 6.794,354 2.226,355 3.439,356 2.357,357 5.133,358 2.954,359 2.033,360 2.818,362 6.032,363 1.864,364 3.239,365 2.012,366 4.947,367 2.768,368 1.838,369 2.518,371 5.507,372 1.703,373 2.893,374 1.901,375 4.345,376 2.463,377 1.514,378 2.049,380 3.775,381 1.418,382 2.592,383 1.707,384 3.593,385 2.198,386 1.259,387 1.618,389 2.961,390 1.168,391 2.5,392 1,393 3.247,394 2,395 1,396 1.5,398 2.136,399 1,400 1.622,401 0.631,402 3.103,403 1.399,404 0.43,405 0.496,407 0.769,408 0.415,409 1.265,410 0.516,411 2.773,412 0.831,413 -0.033,414 -0.041,415 -0.083,416 -0.028,417 1.038,418 0.245,419 2.623,420 0.619,421 -0.305,422 -0.392,423 -0.752,424 -0.279,425 0.78,426 -0.216,427 2.391,428 0.399,429 -0.516,430 -0.621,431 -1.221,432 -0.471,433 0.526,434 -0.325,435 2.136,436 0.145,437 -0.785,438 -0.951,439 -1.744,440 -0.709,441 0.5,442 -0.879,443 1.654,445 -1,446 -1.46,448 -2.347,449 -1,450 0.194,451 -1,452 1.555,453 -0.177,454 -1.106,455 -1.5,457 -2.89,458 -1.02,459 9.833,460 0.492,461 0.486,462 0.024,463 28.5,464 1.425,465 15.5,466 0.775,467 13,468 0.65,469 14.097,470 0.705,471 20.767,472 0.593,473 17.74,474 0.887,475 5.398,476 0.27,477 4.288,478 0.214,479 0.132,481 0.356,485 1.215,486 1.061,487 0.774,488 0.754,489 1.36,490 0.767,491 0.354,492 0.89,493 0.716,494 0.902,495 0.374,496 0.86,497 1.082,498 1.141,499 1.194,500 1.103,501 0.879,502 0.914,503 0.694,504 1.262,505 1.346,506 1.438,507 0.594,508 1.216,509 1.83,510 1.055,511 1.504,512 1.177,513 1.592,514 1.12,515 0.98,516 0.898,517 0.949,518 0.947,519 0.936,520 0.99,521 0.818,522 1.112,523 0.962,524 1.109,525 0.828,526 1.163,527 1.062,528 0.981,529 0.755,530 0.847,531 1.26,532 1.065,533 4,534 0.012,535 1.778,536 2.104,537 1.286,538 0.639,539 0.376,540 0.204,541 0.12,542 0.046,543 3515,544 9532,545 2.077,546 42.9,547 5,548 5,551 5,555 1.622,556 1.935,557 2.963,558 2.868,560 1,562 1,564 56.009,565 1.6,566 3.688,567 4.183,568 4.515,569 4.593,570 4.593,571 2.423,572 4.022,573 4.293,574 3.066,575 582.493,576 7.357,577 5811.75,578 1,579 1,580 1,581 1,582 179.525,583 1.441,584 4.248,585 0.182,586 0.012,587 0.057,588 0.068,589 0.044,590 0.028,591 0.019,592 0.012,593 0.011,594 0.009,595 0.442,596 0.33,597 1,598 0.843,599 86.984,600 -0.239,601 0.088,602 0.032,603 0.162,604 -0.337,605 0.116,606 0.507,607 0.183,608 0.213,609 0.101,610 0.354,611 0.091,612 -0.118,613 -0.069,614 0.023,615 0.06,616 -0.081,617 0.071,618 0.317,619 -0.159,620 -0.135,621 -0.285,622 0.295,623 -0.256,624 -0.508,625 0.041,626 -0.357,627 -0.148,628 -0.412,629 -0.216,630 -0.103,631 0.006,632 -0.049,633 -0.017,634 -0.082,635 0.005,636 -0.043,637 -0.223,638 -0.133,639 -0.204,640 0.037,641 -0.168,642 -0.104,643 -0.145,644 -0.028,645 -0.071,646 -0.092,647 -0.097,648 1.477,649 1.98,650 0.75,651 13.8,652 1,653 1.128,654 3.525,655 12.422,656 0.7,657 3.135,658 3.466,659 3.761,660 4.094,661 4.277,662 4.344,663 4.419,664 4.489,665 4.419,666 4.304,667 4.716,668 0.655,669 285.41,670 3.135,671 4.673,672 5.533,673 6.431,674 7.314,675 8.222,676 9.115,677 10.027,678 10.926,679 11.841,680 14.3,684 2,688 1,690 2,694 2,695 5,696 2,697 1,700 5,702 16,711 2,718 35,719 16,720 1,721 22,723 37,724 14,725 12,726 1,727 5,729 3,730 4,734 1,739 1,741 12,742 2,753 1,754 1,757 15,758 4,759 5,760 6,761 1,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 1,810 20,811 2,816 1,819 1,836 10.333,837 6.4,838 4.444,839 2.061,840 3.086,841 1.459,842 1.037,843 3.549,844 9.809,845 3.434,846 4.107,847 4.755,848 5.426,849 5.946,850 6.26,851 6.647,852 7.058,853 7.21,854 7.41,855 1,856 31,857 7.325,859 3.075,860 7.675,861 14.007,863 11.393,865 2.175,866 43.5,867 0.001,870 117.711,871 105.334,872 116.151,876 32.22,877 73.114,878 117.711,879 116.151,880 8.825,881 2.535,882 113.176,883 35.286,884 25.217,885 4.227,886 149.931,888 117.711,889 189.265,891 32.22,893 117.711,897 32.882,898 122.813,899 33.571,900 32.22,901 117.711,902 116.151,903 105.334,906 117.711,907 49.128,908 56.206,909 16.786,910 99.365,911 117.711,912 116.151,913 105.334,915 0.577,916 0.345,917 0.206,918 0.111,919 16,920 7,921 0.081,922 3,923 1,924 1.133,925 3.192,926 154.318,927 0.133,928 15,929 82.439,930 1,933 13.277,934 5.346,935 2.498,936 1.574,937 99.365,938 10.17,939 8.271,940 3.297,943 3.954,945 82.58,946 339.196,947 30,956 35.003,957 39.488,958 0.312,959 0.719,960 0.816,961 0.88,962 0.896,963 0.896,964 4.654,965 1,966 5.525,967 2.961,968 4.143,969 4.792,970 2.913,971 6.368,972 4.015,973 5.889,974 0.43,975 7.098,976 2.136,977 3.761,978 4.691,980 7.326,981 3.557,982 7.216,983 -0.033,984 8.772,985 0.769,986 5.753,987 7.104,988 5.027,989 10.478,990 5.508,991 8.584,992 -0.305,993 10.508,994 -0.083,995 6.196,996 7.853,998 12.321,999 5.897,1000 9.985,1001 -0.516,1002 12.286,1003 -0.752,1004 7.676,1005 9.744,1006 7.185,1007 15.005,1008 7.34,1009 11.413,1010 -0.785,1011 14.094,1012 -1.221,1013 8.52,1014 10.914,1016 17.224,1017 8.144,1018 12.863,1019 -1,1020 15.926,1021 -1.744,1022 9.801,1023 12.591,1024 9.348,1025 19.754,1026 9.39,1027 3.278,1028 -1.106,1029 17.778,1030 -2.347,1031 10.833,1032 13.966,1034 22.121,1035 10.386,1036 2.617,1037 11.654,1038 19.644,1039 -2.89,1040 12.041,1041 15.558,1042 11.511,1043 24.601,1044 11.561,1045 2.37,1046 8.015,1047 21.524,1048 4.683,1049 13.157,1050 17.027,1052 27.023,1053 12.641,1054 2.033,1055 6.794,1056 23.413,1057 3.501,1058 14.344,1059 18.586,1060 13.675,1061 29.486,1062 13.792,1063 1.838,1064 6.032,1065 25.312,1066 3.277,1067 15.497,1068 20.097,1070 31.929,1071 14.908,1072 1.514,1073 5.507,1074 27.217,1075 2.818,1076 16.678,1077 21.645,1078 15.838,1079 34.387,1080 16.052,1081 1.259,1082 3.775,1083 29.127,1084 2.518,1085 17.848,1086 23.174,1088 36.838,1089 17.184,1090 3466,1091 5828,1092 14.622,1093 24.483,1094 32.936,1095 35.291,1096 34.138,1097 32.842,1098 32.679,1099 44.921,1100 5.9,1101 95.285,1102 30.587,1103 5.482,1104 6.577,1105 6.724,1106 5.379,1107 5.278,1108 7.683,1109 5.9,1110 18.807,1111 5.141,1112 9.183,1113 1.497,1114 1.604,1115 1.552,1116 1.493,1117 1.485,1118 2.042,1119 0.268,1120 4.331,1121 1.39,1122 4.115,1123 4.155,1124 4.187,1125 4.014,1126 5.318,1127 4.015,1128 3.86,1129 3.889,1130 3.878,1131 3.812,1132 4.981,1133 3.798,1134 3.499,1135 3.578,1136 3.494,1137 3.312,1138 4.781,1139 3.316,1140 3.288,1141 3.383,1142 3.227,1143 3.11,1144 4.694,1145 3.073,1146 3.084,1147 3.209,1148 3.01,1149 2.821,1150 4.124,1151 2.807,1152 2.866,1153 2.925,1154 2.943,1155 2.739,1156 3.967,1157 2.752,1158 2.854,1159 2.907,1160 2.687,1161 2.735,1162 3.677,1163 2.715,1164 2.56,1165 2.678,1166 2.41,1167 2.321,1168 3.674,1169 2.306,1170 0.214,1171 0.208,1172 0.315,1173 0.192,1174 0.149,1175 4.711,1176 0.213,1177 4.577,1178 0.134,1179 6.922,1180 0.53,1181 4.235,1182 0.143,1183 3.278,1184 4.683,1185 2.95,1186 11.654,1187 3.141,1188 1.883,1189 1.862,1190 1.985,1191 2.013,1192 1.162,1193 1.98,1194 1.835,1195 1.799,1196 1.928,1197 1.945,1198 1.057,1199 1.97,1200 1.594,1201 1.536,1202 1.765,1203 1.783,1204 0.8,1205 1.801,1206 1.235,1207 1.162,1208 1.405,1209 1.501,1210 0.537,1211 1.498,1212 0.999,1213 0.9,1214 1.267,1215 1.373,1216 0.218,1217 1.357,1218 0.886,1219 0.821,1220 1.181,1221 1.149,1222 0.177,1223 1.169,1224 0.869,1225 0.808,1226 1.145,1227 1.062,1228 0.072,1229 1.107,1230 0.77,1231 0.667,1232 1.043,1233 0.953,1235 1.003,1236 3.807,1238 5.13,1239 2.398,1240 6.655,1241 4.844,1242 8.278,1243 7.05,1244 9.953,1246 2.091,1250 11.629,1252 0.854,1255 1.659,1262 22.928,1263 56.009,1264 129.086,1265 146.405,1266 158.015,1267 160.77,1268 160.77,1269 23.512,1270 6.724,1271 93.61,1272 118.91,1273 17,1274 12.356,1275 4.087,1276 3.17,1277 29.806,1278 56,1279 56,1280 0.271,1281 147.494,1282 236.01,1283 351.645,1284 6297,1286 14.113,1287 0.706,1288 0.593,1289 14.466,1290 11.868,1291 9.686,1292 0.44,1293 0.326,1294 6.357,1295 8.969,1296 6.121,1297 5.116,1298 10.094,1299 7.168,1300 8.699,1301 0.281,1302 0.177,1303 9.368,1304 5.476,1305 7.218,1306 0.172,1307 0.099,1308 7.975,1309 4.139,1310 6.657,1311 0.113,1312 0.055,1313 7.538,1314 3.258,1315 5.053,1316 0.071,1317 0.031,1318 5.949,1319 2.209,1320 0.407,1321 64,1322 0.262,1323 19.546,1324 0.798,1325 106,1326 277.108,1327 140.672,1328 301.058,1329 425.09,1330 282,1331 126,1332 314.32,1333 155.707,1334 336.262,1335 495.66,1336 318,1337 5.252}
{0 CHEMBL400485,1 2.008,2 8.476,3 3.481,4 12.118,5 83.451,6 11.008,7 0.696,8 3.592,9 3.683,10 3.516,11 3.249,12 4.859,13 3.217,14 4.028,15 4.142,16 3.986,17 3.661,18 5.332,19 3.595,20 4.213,21 4.328,22 4.196,23 3.78,24 5.522,25 3.682,26 4.177,27 4.301,28 4.025,29 3.655,30 5.537,31 3.541,32 4.061,33 4.215,34 3.699,35 3.505,36 5.265,37 3.415,38 4.1,39 4.268,40 3.576,41 3.451,42 5.3,43 3.374,44 4.118,45 4.339,46 3.602,47 3.353,48 5.3,49 3.244,50 3.866,51 4.089,52 3.532,53 3.03,54 5.191,55 2.919,56 0.146,57 0.48,58 2.277,59 2.333,60 14.05,61 2.055,62 0.257,63 0.747,64 5.607,65 4.255,66 19.269,67 4.603,68 0.406,69 0.866,70 16.552,71 5.755,72 34.977,73 4.457,74 0.405,75 0.814,76 21.383,77 6.69,78 40.145,79 6.133,80 0.317,81 0.726,82 13.098,83 4.847,84 30.515,85 4.097,86 0.311,87 0.718,88 6.427,89 4.496,90 25.58,91 4.645,92 0.411,93 0.668,94 16.221,95 5.763,96 39.484,97 5.956,98 0.459,99 0.42,100 18.631,101 4.73,102 44.492,103 5.28,104 26,105 34,106 0.375,107 0.762,108 0.831,109 0.872,110 0.884,111 0.884,112 3.104,113 0.979,114 -4.6,115 -4.53,116 -4.26,119 41.9,120 1,139 3,140 1,141 4,143 1,146 1,150 1,156 1,157 1,158 1,159 1,166 1,169 1,170 3,172 1,173 2,174 2,175 2,177 1,178 6,182 1,189 8,193 2,195 1,196 4,197 1,198 3,200 1,201 4,204 1,207 2,212 2,215 4,221 3,226 6,229 2,231 2,234 2,239 2,241 2,246 2,251 4,254 1,256 2,260 1,265 3,270 1,273 539,274 13.671,275 13.671,276 13.671,277 13.671,278 13.671,279 11.562,280 12.135,281 7.751,282 14.329,283 11.323,284 11.323,285 11.323,286 11.323,287 11.323,288 8.2,289 10.311,290 3.69,291 12.591,292 2.946,293 0.872,294 0.5,295 0.282,296 0.218,297 0.218,298 3.776,299 2,300 1,301 1,302 1,303 379,304 2.345,306 41.679,307 113.415,310 79.02,314 1.166,315 23.633,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 45.667,327 178,328 4.707,329 4.595,330 6.909,331 4.216,332 3.272,333 4.68,334 2.95,335 11.586,336 3.084,337 4.214,338 3.439,339 5.957,340 3.712,341 2.825,342 3.87,344 8.367,345 2.455,346 3.845,347 3.221,348 5.702,349 3.383,350 2.483,351 3.324,353 7.517,354 2.236,355 3.503,356 2.815,357 5.202,358 3.027,359 2.155,360 2.855,362 6.335,363 1.86,364 3.419,365 2.281,366 5.107,367 2.943,368 2.028,369 2.763,371 5.972,372 1.78,373 3.19,374 2.166,375 4.93,376 2.713,377 1.781,378 2.455,380 5.387,381 1.643,382 2.82,383 2.133,384 4.218,385 2.306,386 1.414,387 1.949,389 3.538,390 1.199,391 2.537,392 1.837,393 4.04,394 2.102,395 1.21,396 1.548,398 3.406,399 1.061,400 1.566,401 1.049,402 3.135,403 1.11,404 0.311,405 0.375,407 0.759,408 0.219,409 1.172,410 0.633,411 2.729,412 0.719,413 -0.075,414 -0.089,415 -0.19,416 -0.052,417 1.131,418 0.383,419 2.53,420 0.654,421 -0.248,422 -0.331,423 -0.669,424 -0.222,425 0.782,426 -0.054,427 2.378,428 0.329,429 -0.539,430 -0.65,431 -1.324,432 -0.407,433 0.65,434 -0.224,435 2.347,436 0.268,437 -0.613,438 -0.726,439 -1.534,440 -0.51,441 0.342,442 -0.252,443 2.096,444 -0.023,445 -0.911,446 -1.115,448 -2.394,449 -0.692,450 0.15,451 -0.609,452 1.703,453 -0.261,454 -1.155,455 -1.489,457 -3.183,458 -1.024,459 10.695,460 0.509,461 0.72,462 0.034,463 29.5,464 1.405,465 15.5,466 0.738,467 14,468 0.667,469 16.27,470 0.775,471 21.705,472 0.7,473 18.98,474 0.904,475 5.641,476 0.269,477 4.311,478 0.205,479 0.249,481 0.421,485 0.952,486 1.028,487 0.571,488 0.597,489 1.04,490 0.603,491 0.496,492 0.8,493 0.589,494 0.666,495 0.482,496 0.653,497 1.22,498 1.067,499 1.103,500 1.028,501 1.11,502 0.879,503 0.703,504 1.201,505 1.134,506 1.492,507 0.761,508 1.202,509 1.103,510 1.058,511 0.812,512 0.963,513 1.127,514 1.063,515 1.014,516 1.221,517 0.638,518 0.929,519 1.065,520 1.184,521 1.08,522 0.959,523 0.84,524 0.831,525 1.12,526 0.926,527 1.002,528 0.8,529 1.117,530 0.884,531 0.975,532 0.903,533 5.5,534 0.041,535 2.667,536 2.354,537 1.498,538 0.806,539 0.38,540 0.401,541 0.22,542 0.076,543 3976,544 16299,545 2.018,546 32.3,548 3,551 4,552 3,555 1.634,556 1.826,557 3.049,558 2.015,560 1,562 1,564 62.255,565 2.008,566 4.083,567 4.454,568 4.672,569 4.736,570 4.736,571 2.458,572 4.297,573 4.366,574 3.155,575 662.554,576 7.491,577 6816.74,578 1,579 1,580 1,581 1,582 153.58,583 1.545,584 4.289,585 0.239,586 0.014,587 0.078,588 0.069,589 0.052,590 0.034,591 0.017,592 0.021,593 0.016,594 0.011,595 0.551,596 0.17,597 1,598 0.702,599 93.315,600 -0.232,601 0.067,602 -0.025,603 0.169,604 -0.286,605 0.124,606 0.21,607 0.269,608 0.116,609 0.211,610 0.164,611 0.18,612 -0.26,613 0.037,614 -0.066,615 0.056,616 -0.196,617 -0.011,618 0.234,619 -0.164,620 -0.089,621 -0.316,622 0.232,623 -0.233,624 -0.27,625 -0.015,626 -0.102,627 -0.052,628 -0.24,629 -0.171,630 -0.158,631 -0.292,632 -0.035,633 -0.15,634 -0.14,635 -0.264,636 -0.087,637 -0.058,638 0.102,639 0.132,640 -0.095,641 0.17,642 0.269,643 -0.034,644 0.203,645 0.108,646 0.245,647 0.284,648 1.722,649 4.047,650 0.714,651 13.778,652 1.032,653 1.118,654 3.375,655 11.388,656 0.771,657 3.178,658 3.555,659 3.829,660 4.127,661 4.331,662 4.394,663 4.431,664 4.554,665 4.522,666 4.419,667 4.945,668 0.734,669 341.24,670 3.178,671 4.745,672 5.609,673 6.515,674 7.399,675 8.308,676 9.201,677 10.112,678 11.009,679 11.921,680 12.9,684 1,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 1,715 1,717 2,718 31,719 16,720 1,721 23,723 33,724 13,725 12,726 3,727 3,729 3,730 4,731 2,734 1,741 12,742 1,753 1,754 1,757 10,758 4,759 4,760 8,761 3,764 4,769 0.667,770 1,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 1,807 2,810 21,811 1,815 1,819 1,828 2,829 3.2,831 1,836 11.5,837 5.886,838 4.472,839 1.62,840 3.151,841 1.46,842 0.996,843 3.92,844 10.004,845 3.466,846 4.186,847 4.817,848 5.468,849 5.999,850 6.311,851 6.646,852 7.084,853 7.27,854 7.47,855 0.833,856 34,857 7.68,859 3.318,860 7.955,861 14.22,863 11.619,865 2.455,866 51.556,870 70.627,871 88.52,872 83.254,873 78.297,874 42.683,876 32.22,877 56.301,878 191.607,879 83.254,880 8.825,882 61.326,883 76.254,884 35.832,886 102.846,887 78.297,888 70.627,889 139.555,890 42.683,891 110.517,893 72.342,894 42.683,897 30.267,898 74.002,899 111.868,900 32.22,901 70.627,902 125.937,903 166.818,906 70.627,907 51.266,908 37.254,909 16.786,910 187.449,911 70.627,912 125.937,913 166.818,915 0.601,916 0.353,917 0.19,918 0.104,919 18,920 9,921 0.061,922 2,923 1,924 1.133,925 3.215,926 166.513,927 0.133,928 15,929 92.239,930 1,933 14.78,934 5.57,935 2.786,936 0.946,937 109.152,938 5.337,939 8.402,940 2.595,943 3.463,945 92.366,946 363.381,947 31,956 31.993,957 34.671,958 0.405,959 0.824,960 0.899,961 0.943,962 0.956,963 0.956,964 4.718,965 1.21,966 5.638,967 3.538,968 4.234,969 4.871,970 2.913,971 6.494,972 4.028,973 5.986,974 0.311,975 7.232,976 3.406,977 4.007,978 4.913,980 7.459,981 3.668,982 7.334,983 -0.075,984 8.92,985 0.759,986 5.878,987 7.212,988 5.027,989 10.583,990 5.512,991 8.717,992 -0.248,993 10.661,994 -0.19,995 6.399,996 8.026,998 12.383,999 5.919,1000 10.127,1001 -0.539,1002 12.436,1003 -0.669,1004 7.814,1005 9.857,1006 7.185,1007 15.056,1008 7.312,1009 11.558,1010 -0.613,1011 14.238,1012 -1.324,1013 8.684,1014 11.048,1016 17.237,1017 8.097,1018 13.008,1019 -0.911,1020 16.059,1021 -1.534,1022 9.931,1023 12.694,1024 9.348,1025 19.756,1026 9.314,1027 3.272,1028 -1.155,1029 17.898,1030 -2.394,1031 10.964,1032 14.068,1034 22.099,1035 10.282,1036 2.825,1037 11.586,1038 19.752,1039 -3.183,1040 12.152,1041 15.641,1042 11.511,1043 24.568,1044 11.432,1045 2.483,1046 8.367,1047 21.618,1048 4.68,1049 13.26,1050 17.103,1052 26.976,1053 12.484,1054 2.155,1055 7.517,1056 23.494,1057 3.87,1058 14.431,1059 18.649,1060 13.675,1061 29.429,1062 13.612,1063 2.028,1064 6.335,1065 25.379,1066 3.324,1067 15.573,1068 20.151,1070 31.862,1071 14.702,1072 1.781,1073 5.972,1074 27.272,1075 2.855,1076 16.741,1077 21.689,1078 15.838,1079 34.312,1080 15.824,1081 1.414,1082 5.387,1083 29.172,1084 2.763,1085 17.9,1086 23.21,1088 36.755,1089 16.932,1090 3950,1091 8112,1092 14.74,1093 23.886,1094 35.344,1095 38.808,1096 37.183,1097 35.136,1098 34.956,1099 47.639,1100 5.9,1101 105.734,1102 31.072,1103 5.484,1104 6.595,1105 6.217,1106 5.367,1107 5.272,1108 7.68,1109 5.9,1110 18.634,1111 5.084,1112 12.373,1113 1.537,1114 1.687,1115 1.617,1116 1.528,1117 1.52,1118 2.071,1119 0.257,1120 4.597,1121 1.351,1122 4.09,1123 4.125,1124 4.217,1125 4.001,1126 6.474,1127 3.994,1128 3.873,1129 3.886,1130 4.055,1131 3.827,1132 5.211,1133 3.819,1134 3.499,1135 3.572,1136 3.655,1137 3.294,1138 5.037,1139 3.306,1140 3.055,1141 3.143,1142 3.4,1143 2.97,1144 4.827,1145 2.893,1146 2.921,1147 3,1148 3.326,1149 2.793,1150 4.491,1151 2.778,1152 2.904,1153 2.922,1154 2.945,1155 2.766,1156 4.24,1157 2.754,1158 2.873,1159 2.905,1160 2.812,1161 2.585,1162 4.139,1163 2.635,1164 2.465,1165 2.581,1166 2.743,1167 2.272,1168 3.776,1169 2.21,1170 0.205,1171 0.2,1172 0.3,1173 0.183,1174 0.142,1175 4.707,1176 0.203,1177 4.595,1178 0.128,1179 6.909,1180 0.504,1181 4.216,1182 0.134,1183 3.272,1184 4.68,1185 2.95,1186 11.586,1187 3.084,1188 1.883,1189 1.874,1190 1.9,1191 2.039,1192 1.089,1193 1.997,1194 1.805,1195 1.773,1196 1.851,1197 1.9,1198 0.96,1199 1.922,1200 1.525,1201 1.476,1202 1.722,1203 1.686,1204 0.769,1205 1.704,1206 1.054,1207 0.988,1208 1.249,1209 1.339,1210 0.248,1211 1.327,1212 0.87,1213 0.824,1214 1.101,1215 1.15,1216 0.163,1217 1.105,1218 0.839,1219 0.816,1220 0.97,1221 1.022,1222 0.017,1223 1.067,1224 0.778,1225 0.706,1226 0.891,1227 0.95,1229 0.999,1230 0.557,1231 0.472,1232 0.779,1233 0.795,1235 0.82,1236 3.85,1238 5.209,1239 2.398,1240 6.753,1241 4.844,1242 8.387,1243 7.034,1244 10.069,1246 1.844,1247 11.928,1250 5.568,1251 10.047,1255 1.427,1262 22.75,1263 62.255,1264 126.561,1265 138.07,1266 144.825,1267 146.825,1268 146.825,1269 33.23,1270 6.853,1271 87.82,1272 113.12,1273 17,1274 12.438,1275 4.087,1276 3.17,1277 32.102,1278 61,1279 62,1280 0.263,1281 151.769,1282 246.92,1283 362.076,1284 7491,1285 6.5,1286 15.146,1287 0.721,1288 0.626,1289 16.499,1290 13.144,1291 9.952,1292 0.433,1293 0.326,1294 5.991,1295 8.634,1296 5.692,1297 4.689,1298 10.938,1299 7.503,1300 9.637,1301 0.283,1302 0.184,1303 11.021,1304 6.272,1305 7.893,1306 0.175,1307 0.107,1308 9.633,1309 4.806,1310 6.731,1311 0.11,1312 0.055,1313 8.119,1314 3.346,1315 5.233,1316 0.07,1317 0.032,1318 6.66,1319 2.434,1320 0.399,1321 72.238,1322 0.26,1323 20.398,1324 0.762,1325 114,1326 364.352,1327 180.286,1328 439.344,1329 581.43,1330 406,1331 136,1332 373.231,1333 195.713,1334 413.854,1335 610.57,1336 389,1337 4.699}
{0 CHEMBL409194,1 1.823,2 9.381,3 2.496,4 6.231,5 84.237,6 9.963,7 0.739,8 3.61,9 3.728,10 3.464,11 3.235,12 4.865,13 3.206,14 4.04,15 4.179,16 3.851,17 3.601,18 5.33,19 3.539,20 4.206,21 4.371,22 3.898,23 3.663,24 5.446,25 3.58,26 4.137,27 4.322,28 3.83,29 3.554,30 5.37,31 3.43,32 4.056,33 4.268,34 3.439,35 3.388,36 5.178,37 3.279,38 4.006,39 4.232,40 3.405,41 3.284,42 5.104,43 3.172,44 3.813,45 4.044,46 3.292,47 3.159,48 4.865,49 3.049,50 3.581,51 3.743,52 3.268,53 3.004,54 4.865,55 2.954,56 0.096,57 0.552,58 3.748,59 2.37,60 12.179,61 2.358,62 0.205,63 0.837,64 9.695,65 4.632,66 18.977,67 4.853,68 0.317,69 0.943,70 14.946,71 5.293,72 27.621,73 5.161,74 0.295,75 0.845,76 17.718,77 5.652,78 30.148,79 5.863,80 0.25,81 0.748,82 12.354,83 4.612,84 28.856,85 5.028,86 0.288,87 0.692,88 14.284,89 4.145,90 29.179,91 4.549,92 0.196,93 0.544,94 13.433,95 4.392,96 19.208,97 5.132,98 0.157,99 0.457,100 6.813,101 2.407,102 15.093,103 2.633,104 10,105 32,106 0.337,107 0.695,108 0.82,109 0.89,110 0.89,111 0.89,112 3.103,113 0.966,114 -4.42,115 -4.35,116 -4.1,119 40.6,125 1,139 4,141 2,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 2,169 2,172 3,173 3,178 7,181 3,182 1,184 1,185 1,189 3,192 1,193 1,195 3,196 3,197 1,200 2,201 3,205 1,207 2,209 1,210 1,221 5,226 1,231 1,234 3,246 6,251 3,256 3,260 2,265 1,270 1,273 537,274 14.033,275 14.033,276 14.033,277 14.033,278 14.033,279 11.92,280 13.205,281 8.275,282 14.643,283 11.371,284 11.371,285 11.371,286 11.371,287 11.371,288 8.227,289 13.118,290 3.979,291 12.446,292 3.177,293 1.238,294 0.563,295 0.188,296 0.188,297 0.188,298 3.784,299 1,300 1,301 1,302 1,303 423,304 2.345,307 171.008,311 88.596,314 1.506,315 19.402,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 45.333,327 197,328 4.541,329 4.437,330 6.502,331 4.02,332 3.079,333 4.491,334 3.272,335 10.175,336 2.897,337 4.046,338 3.163,339 5.521,340 3.574,341 2.664,342 3.649,344 7.487,345 2.395,346 3.767,347 3.002,348 5.294,349 3.332,350 2.398,351 3.231,353 6.835,354 2.237,355 3.43,356 2.77,357 5.062,358 2.971,359 2.061,360 2.811,362 5.804,363 1.88,364 3.391,365 2.281,366 4.971,367 2.892,368 1.992,369 2.71,371 5.761,372 1.799,373 3.269,374 2.099,375 4.734,376 2.787,377 1.902,378 2.528,380 5.263,381 1.591,382 2.673,383 1.895,384 3.71,385 2.176,386 1.209,387 1.752,389 2.629,390 1.143,391 2.454,392 1.352,393 3.49,394 1.918,395 1.008,396 1.434,398 2.565,399 0.916,400 1.909,401 1.058,402 3.238,403 1.542,404 0.692,405 0.814,407 1.662,408 0.573,409 1.368,410 0.525,411 2.738,412 0.912,413 0.022,414 0.029,415 0.056,416 0.02,417 0.981,418 0.229,419 2.567,420 0.487,421 -0.392,422 -0.498,423 -0.879,424 -0.254,425 0.932,426 0.199,427 2.428,428 0.429,429 -0.442,430 -0.569,431 -1.144,432 -0.394,433 0.731,434 -0.293,435 2.105,436 0.288,437 -0.592,438 -0.72,439 -1.596,440 -0.508,441 0.559,442 -0.491,443 2,444 0.113,445 -0.815,446 -1.087,448 -2.155,449 -0.75,450 0.417,451 -0.735,452 1.671,453 0.024,454 -0.907,455 -1.215,457 -2.499,458 -0.831,459 10.448,460 0.498,461 0.558,462 0.027,463 31.75,464 1.512,465 17.5,466 0.833,467 14.25,468 0.679,469 13.452,470 0.641,471 21.352,472 0.667,473 19.73,474 0.94,475 5.985,476 0.285,477 4.129,478 0.197,479 0.145,481 0.335,485 0.993,486 1.137,487 0.612,488 0.691,489 1.179,490 0.675,491 0.604,492 0.991,493 0.842,494 0.988,495 0.482,496 0.855,497 1.134,498 1.015,499 1.2,500 1.1,501 1.016,502 1.011,503 0.755,504 0.997,505 0.994,506 1.161,507 0.715,508 1.118,509 1.081,510 1.003,511 0.961,512 0.98,513 1.116,514 1.101,515 1.288,516 0.956,517 1.072,518 0.995,519 1.346,520 1.055,521 0.666,522 0.913,523 0.825,524 0.925,525 0.556,526 0.808,527 1.112,528 1.235,529 0.985,530 1.042,531 1.114,532 1.067,533 5,534 0.07,535 2,536 1.313,537 1.44,538 0.354,539 0.264,540 0.28,541 0.135,542 0.161,543 4587,544 16207,545 2.074,546 34.4,548 6,550 1,551 4,555 1.627,556 1.938,557 3.213,558 2.015,560 1,562 1,564 58.331,565 1.823,566 3.762,567 4.438,568 4.813,569 4.813,570 4.813,571 2.707,572 4.011,573 4.366,574 3.36,575 705.536,576 7.455,577 7558.98,578 1,579 1,581 1,582 160,583 1.418,584 4.322,585 0.217,586 0.007,587 0.063,588 0.042,589 0.058,590 0.018,591 0.016,592 0.016,593 0.008,594 0.012,595 0.457,596 0.17,597 1,598 0.61,599 95.599,600 -0.239,601 -0.026,602 -0.003,603 0.125,604 -0.34,605 0.096,606 0.206,607 0.097,608 -0.004,609 -0.004,610 0.243,611 0.012,612 -0.122,613 0.058,614 -0.187,615 -0.081,616 -0.137,617 -0.127,618 0.171,619 0.02,620 0.044,621 -0.08,622 0.208,623 -0.145,624 -0.193,625 -0.04,626 -0.122,627 -0.051,628 -0.163,629 -0.131,630 -0.277,631 -0.013,632 -0.087,633 -0.023,634 -0.359,635 -0.052,636 0.172,637 -0.036,638 0.188,639 0.142,640 0.225,641 0.309,642 -0.076,643 -0.265,644 -0.074,645 -0.213,646 -0.067,647 -0.192,648 1.574,649 1.843,650 0.762,651 15.973,652 1.021,653 1.128,654 3.186,655 10.151,656 0.745,657 3.178,658 3.497,659 3.714,660 3.97,661 4.19,662 4.159,663 4.19,664 4.263,665 4.382,666 4.344,667 5.616,668 0.71,669 318.82,670 3.178,671 4.71,672 5.541,673 6.412,674 7.259,675 8.132,676 8.986,677 9.86,678 10.719,679 11.593,680 18.8,684 2,690 4,694 2,695 5,696 4,700 5,702 17,711 2,717 1,718 32,719 17,720 1,721 23,723 34,724 13,725 12,726 2,727 4,729 3,730 4,731 1,741 12,742 1,753 1,754 1,757 11,758 6,759 4,760 8,761 2,764 6,769 0.667,774 1,776 1,781 3,785 1,802 2,803 1,804 1,807 1,810 21,811 2,816 1,819 1,828 1,836 10.833,837 5.693,838 4.556,839 1.633,840 3.308,841 1.486,842 1.022,843 3.992,844 10.119,845 3.481,846 4.143,847 4.734,848 5.345,849 5.929,850 6.132,851 6.436,852 6.793,853 7.209,854 7.228,855 1,856 31,857 7.657,859 3.223,860 7.839,861 14.315,863 11.442,865 2.339,866 49.111,870 82.398,871 95.966,872 132.936,873 39.149,876 32.22,877 63.747,878 121.546,879 132.936,881 0.9,882 103.699,883 78.913,884 20.715,885 4.227,886 102.846,887 39.149,888 82.398,889 196.683,891 71.368,893 84.113,897 16.747,898 111.079,899 106.291,900 32.22,901 82.398,902 132.936,903 135.115,906 82.398,907 49.014,908 46.952,910 172.085,911 82.398,912 132.936,913 135.115,915 0.584,916 0.328,917 0.179,918 0.099,919 16,920 7,921 0.088,922 3,923 1,924 1.125,925 3.39,926 157.605,927 0.125,928 16,929 92.239,930 1,933 14.17,934 5.916,935 3.282,936 0.866,937 132.936,938 9.295,939 16.538,943 2.881,945 65.794,946 350.449,947 31.5,956 32.662,957 36.099,958 0.365,959 0.752,960 0.888,961 0.963,962 0.963,963 0.963,964 4.694,965 1.008,966 5.525,967 2.629,968 4.174,969 4.828,970 3.11,971 6.297,972 3.999,973 5.923,974 0.692,975 7.059,976 2.565,977 3.761,978 4.691,980 7.081,981 3.481,982 7.235,983 0.022,984 8.685,985 1.662,986 5.733,987 7.104,988 5.44,989 10.155,990 5.411,991 8.581,992 -0.392,993 10.363,994 0.056,995 6.066,996 7.744,998 11.748,999 5.651,1000 9.953,1001 -0.442,1002 12.077,1003 -0.879,1004 7.544,1005 9.656,1006 7.807,1007 14.354,1008 7.092,1009 11.346,1010 -0.592,1011 13.816,1012 -1.144,1013 8.252,1014 10.703,1016 16.337,1017 7.72,1018 12.757,1019 -0.815,1020 15.575,1021 -1.596,1022 9.515,1023 12.388,1024 10.177,1025 18.767,1026 8.943,1027 3.079,1028 -0.907,1029 17.35,1030 -2.155,1031 10.422,1032 13.657,1034 20.936,1035 9.779,1036 2.664,1037 10.175,1038 19.141,1039 -2.499,1040 11.59,1041 15.235,1042 12.548,1043 23.298,1044 10.903,1045 2.398,1046 7.487,1047 20.944,1048 4.491,1049 12.599,1050 16.619,1052 25.551,1053 11.847,1054 2.061,1055 6.835,1056 22.757,1057 3.649,1058 13.729,1059 18.15,1060 14.919,1061 27.886,1062 12.929,1063 1.992,1064 5.804,1065 24.58,1066 3.231,1067 14.79,1068 19.593,1070 30.176,1071 13.93,1072 1.902,1073 5.761,1074 26.411,1075 2.811,1076 15.907,1077 21.104,1078 17.29,1079 32.502,1080 14.995,1081 1.209,1082 5.263,1083 28.249,1084 2.71,1085 16.995,1086 22.575,1088 34.808,1089 16.024,1090 4446,1091 8476,1092 15.315,1093 23.824,1094 34.305,1095 37.391,1096 34.957,1097 34.166,1098 34.056,1099 46.897,1100 6.545,1101 96.473,1102 30.902,1103 5.363,1104 6.437,1105 6.063,1106 5.134,1107 5.079,1108 7.491,1109 6.545,1110 17.069,1111 4.897,1112 9.883,1113 1.492,1114 1.626,1115 1.52,1116 1.485,1117 1.481,1118 2.039,1119 0.285,1120 4.194,1121 1.344,1122 4.029,1123 4.078,1124 4.108,1125 3.905,1126 5.341,1127 3.902,1128 3.878,1129 3.897,1130 3.983,1131 3.814,1132 4.989,1133 3.818,1134 3.5,1135 3.563,1136 3.692,1137 3.369,1138 4.935,1139 3.351,1140 3.102,1141 3.221,1142 3.347,1143 2.988,1144 4.859,1145 2.933,1146 3.078,1147 3.141,1148 3.123,1149 2.792,1150 4.328,1151 2.821,1152 2.878,1153 2.922,1154 2.992,1155 2.779,1156 4.211,1157 2.765,1158 2.782,1159 2.843,1160 2.7,1161 2.63,1162 4.046,1163 2.634,1164 2.575,1165 2.698,1166 2.422,1167 2.313,1168 3.712,1169 2.3,1170 0.197,1171 0.193,1172 0.283,1173 0.175,1174 0.134,1175 4.541,1176 0.195,1177 4.437,1178 0.142,1179 6.502,1180 0.442,1181 4.02,1182 0.126,1183 3.079,1184 4.491,1185 3.272,1186 10.175,1187 2.897,1188 1.921,1189 1.886,1190 1.957,1191 2.104,1192 1.101,1193 2.066,1194 1.861,1195 1.836,1196 1.928,1197 1.921,1198 0.976,1199 1.946,1200 1.434,1201 1.385,1202 1.561,1203 1.642,1204 0.713,1205 1.633,1206 1.021,1207 0.968,1208 1.27,1209 1.378,1210 0.214,1211 1.359,1212 0.978,1213 0.873,1214 1.202,1215 1.233,1216 0.158,1217 1.264,1218 0.868,1219 0.824,1220 1.102,1221 1.018,1222 0.088,1223 1.061,1224 0.766,1225 0.703,1226 0.991,1227 0.936,1229 0.974,1230 0.53,1231 0.418,1232 0.9,1233 0.868,1235 0.89,1236 3.85,1238 5.165,1240 6.673,1242 8.276,1244 9.927,1247 5.954,1250 11.32,1252 0.646,1255 1.612,1262 22.723,1263 58.331,1264 120.39,1265 142,1266 154,1267 154,1268 154,1269 26.559,1270 6.811,1271 103.6,1272 128.9,1273 18,1274 12.136,1275 4.17,1276 3.248,1277 32.372,1278 71,1279 60,1280 0.226,1281 150.101,1282 242.28,1283 358.007,1284 7763,1285 3.1,1286 14.82,1287 0.706,1288 0.59,1289 15.673,1290 12.396,1291 10.114,1292 0.44,1293 0.322,1294 6.082,1295 9.002,1296 5.833,1297 4.82,1298 10.857,1299 7.41,1300 9.372,1301 0.293,1302 0.179,1303 10.358,1304 5.732,1305 7.395,1306 0.185,1307 0.099,1308 8.334,1309 3.946,1310 6.327,1311 0.122,1312 0.055,1313 7.349,1314 2.86,1315 5.022,1316 0.077,1317 0.03,1318 5.891,1319 1.95,1320 0.355,1321 70.658,1322 0.256,1323 20.964,1324 0.613,1325 110,1326 342.269,1327 158.015,1328 390.927,1329 526.35,1330 364,1331 127,1332 356.526,1333 165.54,1334 384.848,1335 560.82,1336 361,1337 4.575}
{0 CHEMBL412892,1 1.602,2 9.81,3 2.177,4 4.738,5 84.209,6 7.343,7 0.545,8 3.757,9 3.886,10 3.292,11 3.213,12 4.966,13 3.215,14 4.215,15 4.388,16 3.586,17 3.525,18 5.376,19 3.508,20 4.355,21 4.526,22 3.649,23 3.643,24 5.486,25 3.609,26 4.475,27 4.691,28 3.539,29 3.666,30 5.538,31 3.589,32 4.488,33 4.717,34 3.451,35 3.649,36 5.484,37 3.554,38 4.41,39 4.648,40 3.355,41 3.554,42 5.432,43 3.451,44 4.374,45 4.654,46 3.229,47 3.383,48 5.348,49 3.261,50 4.089,51 4.333,52 3.027,53 3.145,54 5.166,55 3.037,56 0.06,57 0.569,58 8.267,59 3.151,60 13.109,61 4.277,62 0.264,63 0.806,64 14.568,65 5.286,66 27.246,67 6.942,68 0.277,69 0.922,70 16.561,71 5.681,72 27.197,73 7.915,74 0.314,75 0.972,76 19.705,77 6.53,78 38.249,79 9.206,80 0.319,81 0.947,82 20.472,83 6.692,84 35.781,85 9.565,86 0.229,87 0.888,88 18.687,89 6.063,90 33.36,91 8.971,92 0.377,93 0.761,94 19.383,95 5.892,96 38.024,97 9.002,98 0.302,99 0.598,100 13.982,101 4.281,102 30.756,103 6.436,104 23,105 29,106 0.288,107 0.665,108 0.834,109 0.883,110 0.883,111 0.883,112 3.102,113 0.874,114 -3.43,115 -3.41,116 -3.26,119 38.5,121 1,124 1,125 1,133 1,134 1,139 3,140 2,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 5,172 3,173 3,175 1,178 5,180 1,181 1,182 7,187 1,189 4,191 1,193 5,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,207 7,212 3,215 3,218 3,221 4,226 2,229 3,231 2,233 2,236 1,237 1,239 2,241 2,243 2,245 2,248 1,249 1,251 1,254 2,256 1,262 1,263 1,268 1,273 570,274 14.171,275 14.171,276 14.171,277 14.171,278 14.171,279 12.488,280 21.02,281 8.573,282 14.654,283 10.758,284 10.758,285 10.758,286 10.758,287 10.758,288 8.183,289 27.339,290 3.949,291 11.455,292 3.684,293 1.591,294 0.654,295 0.378,296 0.378,297 0.378,298 3.763,300 1,301 1,302 1,303 420,304 2.828,307 147.503,314 1.551,315 19.373,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 46,327 206,328 4.307,329 3.248,330 6.187,331 3.912,332 2.949,333 3.955,334 1.151,335 9.231,336 2.847,337 4.197,338 3.065,339 6.073,340 3.765,341 2.82,342 3.84,343 0.86,344 8.783,345 2.662,346 3.596,347 2.559,348 5.249,349 3.229,350 2.279,351 2.924,352 0.68,353 6.646,354 2.156,355 3.365,356 2.345,357 4.916,358 2.943,359 2.006,360 2.664,362 5.638,363 1.871,364 2.969,365 2.154,366 4.407,367 2.606,368 1.7,369 2.087,371 4.291,372 1.532,373 2.826,374 1.774,375 4.125,376 2.359,377 1.422,378 1.953,380 3.648,381 1.329,382 2.771,383 1.555,384 3.456,385 2.304,386 1.339,387 1.735,389 2.614,390 1.285,391 1.956,392 0.945,393 3.077,394 1.548,395 0.623,396 0.775,398 1.227,399 0.57,400 1.611,401 0.846,402 2.873,403 1.318,404 0.406,405 0.471,407 0.8,408 0.367,409 1.536,410 0.567,411 2.444,412 1.125,413 0.224,414 0.278,415 0.352,416 0.201,417 1.065,418 0.075,419 2.359,420 0.676,421 -0.269,422 -0.341,423 -0.524,424 -0.251,425 0.797,426 -0.309,427 2.297,428 0.393,429 -0.514,430 -0.621,431 -1.242,432 -0.466,433 0.602,434 -0.314,435 2.119,436 0.234,437 -0.7,438 -0.847,439 -1.629,440 -0.644,441 0.487,442 -0.636,443 1.702,444 0.091,445 -0.88,446 -1.18,448 -2.1,449 -0.844,450 0.135,451 -0.881,452 1.376,453 -0.196,454 -1.151,455 -1.481,457 -2.68,458 -1.09,459 9.767,460 0.465,461 0.451,462 0.021,463 28.5,464 1.357,465 15,466 0.714,467 13.5,468 0.643,469 13.6,470 0.648,471 23.233,472 0.596,473 20.222,474 0.963,475 6.039,476 0.288,477 4.096,478 0.195,479 0.184,481 0.307,485 1.036,486 1.31,487 0.848,488 1.127,489 1.28,490 0.966,491 1.164,492 0.863,493 0.847,494 0.926,495 0.758,496 0.864,497 1.092,498 1.248,499 1.014,500 1.166,501 0.9,502 1.089,503 1.144,504 0.979,505 1.113,506 1.086,507 1.017,508 1.096,509 1.212,510 1.003,511 1.092,512 1.012,513 1.02,514 1.04,515 0.969,516 1.148,517 1.083,518 1.172,519 0.978,520 1.15,521 0.708,522 0.866,523 0.788,524 0.891,525 0.657,526 0.87,527 0.826,528 1.115,529 1.001,530 1.138,531 0.91,532 1.122,533 4.5,534 0.054,535 2.222,536 1.25,537 1.227,538 0.5,539 0.486,540 0.307,541 0.132,542 0.117,543 4078,544 12143,545 1.968,546 46.2,547 2,548 11,550 1,551 4,555 1.631,556 1.826,557 3.261,558 1.921,559 1,560 1,562 1,564 62.469,565 1.602,566 3.694,567 4.631,568 4.907,569 4.907,570 4.907,571 2.761,572 4.297,573 4.359,574 3.382,575 710.116,576 7.467,577 7616.07,578 1,579 1,581 1,582 206.131,583 1.461,584 4.311,585 0.205,586 0.007,587 0.077,588 0.042,589 0.047,590 0.021,591 0.023,592 0.017,593 0.009,594 0.012,595 0.459,596 0.33,597 1,598 1.406,599 95.623,600 -0.123,601 -0.072,602 0.019,603 -0.037,604 -0.284,605 0.019,606 0.017,607 0.22,608 0.101,609 0.115,610 0.123,611 0.109,612 -0.005,613 -0.154,614 -0.084,615 -0.129,616 -0.029,617 -0.117,618 -0.121,619 0.042,620 -0.159,621 -0.087,622 -0.08,623 -0.124,624 -0.188,625 -0.046,626 -0.124,627 -0.005,628 -0.135,629 -0.05,630 -0.107,631 -0.168,632 -0.132,633 -0.176,634 -0.091,635 -0.159,636 0.23,637 -0.015,638 0.222,639 0.07,640 0.229,641 0.129,642 0.222,643 -0.194,644 -0.009,645 -0.172,646 0.107,647 -0.149,648 1.498,649 2.013,650 0.571,651 17.782,652 1.006,653 1.136,654 2.197,655 4.825,656 0.648,657 3.135,658 3.401,659 3.611,660 3.807,661 4.007,662 3.951,663 3.97,664 4.025,665 4.025,666 3.989,667 5.619,668 0.621,669 286.37,670 3.135,671 4.635,672 5.451,673 6.301,674 7.14,675 7.995,676 8.842,677 9.698,678 10.549,679 11.407,680 10.3,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 2,718 39,719 13,720 1,721 22,723 40,724 15,725 10,726 3,727 3,729 2,730 2,739 1,741 12,742 3,744 1,745 1,749 1,753 1,754 1,757 18,758 6,759 4,760 6,764 4,769 1,770 2,776 1,781 2,794 1,795 1,802 2,806 1,810 21,811 2,816 2,818 2,829 5.1,834 2,836 11.5,837 7.067,838 4.889,839 1.953,840 2.322,841 1.365,842 0.951,843 5.141,844 8.682,845 3.401,846 3.951,847 4.46,848 4.965,849 5.493,850 5.56,851 5.767,852 6.137,853 6.445,854 6.698,855 0.857,856 30,857 7.656,859 3.052,860 7.833,861 14.324,863 10.856,865 2.333,866 49,870 164.795,871 101.814,872 99.365,874 22,877 101.814,878 186.795,879 99.365,880 10.883,881 22.894,882 103.699,883 45.342,884 47.905,885 4.227,886 153.024,888 164.795,889 201.18,890 22,893 164.795,894 22,897 18.073,898 140.059,899 43.047,901 164.795,902 121.365,903 101.814,906 164.795,907 28.212,908 57.835,910 137.132,911 164.795,912 121.365,913 101.814,915 0.561,916 0.326,917 0.174,918 0.099,919 12,920 6,921 0.15,922 6,924 1,925 3.305,926 149.138,928 12,929 92.239,933 15.288,934 7.062,935 3.936,937 121.365,938 7.323,939 7.904,943 3.7,945 65.794,946 387.975,947 29,948 3.618,952 1.68,956 39.247,957 44.318,958 0.303,959 0.699,960 0.876,961 0.928,962 0.928,963 0.928,964 4.595,965 0.623,966 5.416,967 2.614,968 4.078,969 4.635,970 1.801,971 6.172,972 3.964,973 5.785,974 0.406,975 6.944,976 1.227,977 3.611,978 4.407,980 6.969,981 3.461,982 7.074,983 0.224,984 8.57,985 0.8,986 5.617,987 6.793,988 1.797,989 10.013,990 5.412,991 8.399,992 -0.269,993 10.251,994 0.352,995 5.943,996 7.341,998 11.595,999 5.697,1000 9.752,1001 -0.514,1002 11.966,1003 -0.524,1004 7.419,1005 9.218,1006 1.895,1007 14.144,1008 7.134,1009 11.127,1010 -0.7,1011 13.705,1012 -1.242,1013 8.124,1014 10.136,1016 16.061,1017 7.795,1018 12.517,1019 -0.88,1020 15.46,1021 -1.629,1022 9.372,1023 11.781,1024 2.06,1025 18.417,1026 9.01,1027 2.949,1028 -1.151,1029 17.227,1030 -2.1,1031 10.264,1032 12.894,1034 20.488,1035 9.856,1036 2.82,1037 9.231,1038 19.004,1039 -2.68,1040 11.409,1041 14.418,1042 2.265,1043 22.76,1044 10.969,1045 2.279,1046 8.783,1047 20.787,1048 3.955,1049 12.392,1050 15.638,1052 24.902,1053 11.907,1054 2.006,1055 6.646,1056 22.577,1057 3.84,1058 13.492,1059 17.094,1060 2.497,1061 27.139,1062 12.974,1063 1.7,1064 5.638,1065 24.371,1066 2.924,1067 14.517,1068 18.375,1070 29.314,1071 13.957,1072 1.422,1073 4.291,1074 26.169,1075 2.664,1076 15.598,1077 19.793,1078 2.744,1079 31.535,1080 15.004,1081 1.339,1082 3.648,1083 27.969,1084 2.087,1085 16.645,1086 21.108,1088 33.727,1089 16.01,1090 4206,1091 7349,1092 14.216,1093 25.262,1094 31.903,1095 32.405,1096 33.273,1097 31.492,1098 31.54,1099 41.366,1100 5.382,1101 86.461,1102 29.642,1103 5.09,1104 5.248,1105 6.049,1106 4.981,1107 4.949,1108 6.955,1109 2.302,1110 15.598,1111 4.847,1112 11.562,1113 1.45,1114 1.473,1115 1.512,1116 1.431,1117 1.434,1118 1.88,1119 0.245,1120 3.93,1121 1.347,1122 3.983,1123 4.013,1124 3.936,1125 3.893,1126 5.291,1127 3.898,1128 3.809,1129 3.851,1130 3.772,1131 3.647,1132 4.98,1133 3.672,1134 3.558,1135 3.612,1136 3.42,1137 3.423,1138 4.933,1139 3.413,1140 3.286,1141 3.349,1142 3.148,1143 3.041,1144 4.713,1145 3.06,1146 3.167,1147 3.254,1148 3.007,1149 2.927,1150 4.46,1151 2.933,1152 3.01,1153 3.122,1154 2.863,1155 2.705,1156 4.4,1157 2.732,1158 2.869,1159 2.956,1160 2.719,1161 2.622,1162 4.197,1163 2.607,1164 2.774,1165 2.852,1166 2.574,1167 2.576,1168 3.746,1169 2.596,1170 0.196,1171 0.148,1172 0.281,1173 0.178,1174 0.134,1175 4.307,1176 0.18,1177 3.248,1178 0.052,1179 6.187,1180 0.42,1181 3.912,1182 0.129,1183 2.949,1184 3.955,1185 1.151,1186 9.231,1187 2.847,1188 1.933,1189 1.911,1190 2.03,1191 2.048,1192 1.207,1193 2.041,1194 1.732,1195 1.692,1196 1.834,1197 1.923,1198 0.887,1199 1.896,1200 1.554,1201 1.502,1202 1.777,1203 1.728,1204 0.794,1205 1.75,1206 1.22,1207 1.155,1208 1.573,1209 1.528,1210 0.573,1211 1.542,1212 1.122,1213 1.047,1214 1.376,1215 1.408,1216 0.379,1217 1.406,1218 0.912,1219 0.812,1220 1.235,1221 1.291,1222 0.151,1223 1.291,1224 0.804,1225 0.726,1226 1.181,1227 1.133,1228 0.111,1229 1.147,1230 0.795,1231 0.702,1232 1.1,1233 1.022,1235 1.059,1236 3.807,1238 5.081,1240 6.558,1242 8.132,1244 9.754,1246 1.598,1250 11.323,1252 1.013,1254 10.841,1262 24.203,1263 62.469,1264 144.073,1265 180.621,1266 191.376,1267 191.376,1268 191.376,1269 31.734,1270 6.36,1271 96.28,1272 96.28,1273 12,1274 11.96,1275 3.807,1276 3,1277 39.342,1278 70,1279 77,1280 0.281,1281 154.547,1282 264.64,1283 368.854,1284 4022,1286 15.242,1287 0.726,1288 0.565,1289 15.242,1290 11.874,1291 10.135,1292 0.461,1293 0.291,1294 6.286,1295 9.643,1296 6.099,1297 5.133,1298 10.135,1299 6.412,1300 8.641,1301 0.298,1302 0.152,1303 8.641,1304 4.4,1305 6.947,1306 0.193,1307 0.08,1308 6.947,1309 2.896,1310 5.491,1311 0.125,1312 0.043,1313 5.491,1314 1.88,1315 4.418,1316 0.082,1317 0.024,1318 4.418,1319 1.278,1320 0.439,1321 64.271,1322 0.265,1323 20.959,1324 0.773,1325 102,1326 327.386,1327 114.472,1328 314.2,1329 426.11,1330 294,1331 116,1332 310.972,1333 128.084,1334 316.48,1335 454.97,1336 294,1337 4.31}
{0 CHEMBL413323,1 1.584,2 10.769,3 3.092,4 9.558,5 110.33,6 7.652,7 0.429,8 3.992,9 4.146,10 3.574,11 3.456,12 5.104,13 3.438,14 4.516,15 4.734,16 3.935,17 3.841,18 5.555,19 3.798,20 4.744,21 4.976,22 4.044,23 4.002,24 5.765,25 3.936,26 4.791,27 5.038,28 3.958,29 3.975,30 5.833,31 3.882,32 4.764,33 5.03,34 3.873,35 3.903,36 5.792,37 3.82,38 4.701,39 4.955,40 3.891,41 3.9,42 5.727,43 3.79,44 4.676,45 4.935,46 3.931,47 3.841,48 5.718,49 3.707,50 4.48,51 4.723,52 3.645,53 3.665,54 5.481,55 3.523,56 0.102,57 0.781,58 10.402,59 3.713,60 12.333,61 5.556,62 0.297,63 1.154,64 20.294,65 6.234,66 24.7,67 9.518,68 0.368,69 1.341,70 27.844,71 7.325,72 32.143,73 11.683,74 0.38,75 1.331,76 30.087,77 8.198,78 45.271,79 12.948,80 0.44,81 1.273,82 28.296,83 6.77,84 46.812,85 11.465,86 0.339,87 1.161,88 27.138,89 7.794,90 42.81,91 11.974,92 0.478,93 0.991,94 33.438,95 8.116,96 53.139,97 12.2,98 0.428,99 0.825,100 29.978,101 6.979,102 37.481,103 10.029,104 27,105 39,106 0.27,107 0.626,108 0.776,109 0.835,110 0.835,111 0.835,112 3.304,113 0.956,114 -4.27,115 -4.21,116 -3.98,119 34.7,120 1,121 1,124 1,125 4,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 4,172 3,173 3,175 1,178 6,180 1,181 1,182 7,187 1,189 6,191 1,192 1,193 11,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 1,207 8,212 4,215 4,218 4,220 2,221 3,223 1,224 1,226 2,229 1,231 2,233 2,234 5,236 1,237 1,239 2,241 1,243 2,245 2,246 5,248 2,249 2,254 1,260 3,262 1,263 1,265 1,270 1,273 984,274 17.317,275 17.317,276 17.317,277 17.317,278 17.317,279 15.644,280 24.51,281 10.076,282 17.838,283 13.726,284 13.726,285 13.726,286 13.726,287 13.726,288 11.127,289 32.096,290 4.7,291 14.616,292 4.031,293 1.949,294 1.067,295 0.725,296 0.725,297 0.725,298 3.983,299 1,301 1,302 1,303 590,304 2.739,307 263.228,314 1.651,315 22.774,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 56.333,327 280,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.8,335 11.076,336 3.094,337 4.184,338 3.112,339 6.048,340 3.732,341 2.799,342 3.815,343 0.4,344 8.676,345 2.592,346 3.681,347 2.888,348 5.41,349 3.533,350 2.6,351 3.014,353 7.143,354 2.422,355 3.597,356 2.421,357 5.302,358 3.188,359 2.261,360 2.712,362 6.614,363 2.084,364 3.301,365 2.385,366 5.038,367 3.013,368 2.093,369 2.549,371 5.704,372 1.919,373 3.22,374 2.226,375 4.888,376 2.932,377 1.985,378 2.351,380 5.688,381 1.874,382 3.095,383 1.964,384 4.756,385 2.678,386 1.731,387 2.24,389 4.931,390 1.63,391 2.876,392 1.803,393 4.232,394 2.447,395 1.523,396 1.969,398 3.951,399 1.356,400 2.288,401 1.146,402 3.414,403 1.967,404 1,405 1.038,407 2.275,408 0.965,409 2,410 0.851,411 3.329,412 1.702,413 0.727,414 1,415 1.691,416 0.702,417 1.749,418 0.724,419 3.235,420 1.544,421 0.572,422 0.648,423 1.123,424 0.547,425 1.394,426 0.446,427 2.75,428 1.069,429 0.165,430 0.191,431 0.319,432 0.136,433 1.114,434 0.066,435 2.549,436 0.87,437 -0.08,438 -0.089,439 -0.188,440 -0.074,441 0.873,442 -0.067,443 2.437,444 0.538,445 -0.352,446 -0.428,448 -0.816,449 -0.285,450 0.823,451 -0.305,452 2.248,453 0.436,454 -0.479,455 -0.588,457 -1.15,458 -0.437,459 12.414,460 0.477,461 0.698,462 0.027,463 32.25,464 1.24,465 15,466 0.577,467 17.25,468 0.663,469 22.648,470 0.871,471 28.986,472 0.592,473 23.975,474 0.922,475 6.271,476 0.241,477 6.202,478 0.239,479 0.203,481 0.346,485 0.845,486 1.437,487 0.691,488 1.064,489 1.019,490 0.981,491 0.838,492 1.016,493 0.676,494 0.81,495 0.461,496 0.807,497 1.138,498 1.136,499 0.921,500 0.939,501 0.903,502 0.938,503 0.894,504 1.214,505 0.928,506 1.121,507 0.839,508 1.068,509 1.168,510 1.026,511 0.827,512 0.841,513 1.299,514 0.907,515 0.965,516 1.046,517 0.898,518 0.969,519 1.139,520 1.006,521 0.968,522 0.934,523 1.301,524 1.11,525 0.977,526 1.017,527 1.342,528 0.894,529 1.882,530 1.326,531 1.327,532 1.199,533 6,534 0.111,535 3.111,536 2.063,537 1.68,538 0.993,539 0.648,540 0.385,541 0.361,542 0.141,543 7626,544 20433,545 2.014,546 46.9,547 3,548 14,551 4,552 2,555 1.692,556 1.857,557 3.372,558 1.811,559 1,560 1,564 77.592,565 1.584,566 3.666,567 4.548,568 4.89,569 4.89,570 4.89,571 2.863,572 3.873,573 4.671,574 3.53,575 1147.35,576 8.1,577 14304.4,579 1,581 1,582 275.121,583 1.502,584 4.615,585 0.214,586 0.007,587 0.08,588 0.05,589 0.045,590 0.029,591 0.02,592 0.013,593 0.016,594 0.007,595 0.481,597 1,598 0.819,599 127.173,600 0.016,601 -0.097,602 0.025,603 -0.026,604 -0.12,605 0.002,606 0.097,607 0.146,608 0.126,609 0.171,610 0.249,611 0.16,612 -0.129,613 -0.033,614 -0.007,615 0.04,616 -0.029,617 0.024,618 0.041,619 -0.18,620 -0.017,621 -0.136,622 0.119,623 -0.087,624 -0.158,625 0.005,626 -0.014,627 0.058,628 -0.174,629 0.02,630 -0.021,631 -0.028,632 0.041,633 0.021,634 -0.083,635 -0.023,636 0.178,637 -0.021,638 0.08,639 -0.027,640 0.147,641 0.009,642 -0.032,643 0.038,644 -0.267,645 -0.195,646 -0.147,647 -0.168,648 1.493,649 2.189,650 0.692,651 22.781,652 1.004,653 1.148,654 3.043,655 9.262,656 0.653,657 3.367,658 3.689,659 3.932,660 4.174,661 4.394,662 4.407,663 4.431,664 4.489,665 4.564,666 4.543,667 6.263,668 0.617,669 374.93,670 3.367,671 4.905,672 5.746,673 6.621,674 7.48,675 8.36,676 9.226,677 10.107,678 10.977,679 11.861,680 16.3,683 1,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 49,719 13,720 1,721 28,723 51,724 17,725 10,726 3,727 3,729 3,730 3,731 1,734 1,739 1,741 10,742 7,744 1,750 2,754 1,757 23,758 8,759 4,760 9,761 1,764 8,769 1,776 1,781 3,799 1,802 3,806 2,807 1,810 26,811 2,816 5,821 2,828 1,836 14,837 9.26,838 5.778,839 2.952,840 2.853,841 1.401,842 0.973,843 5.914,844 9.97,845 3.584,846 4.159,847 4.714,848 5.278,849 5.815,850 6.103,851 6.436,852 6.778,853 7.112,854 7.347,855 1,856 41,857 9.549,859 3.945,860 7.703,861 18.257,863 14.578,865 2.203,866 57.278,869 1,870 223.651,871 76.22,872 138.695,873 39.149,877 76.22,878 262.8,879 138.695,880 17.222,881 13.959,882 94.223,883 33.571,884 18.51,885 37.431,886 223.651,887 39.149,888 223.651,889 214.915,891 39.149,893 223.651,897 30.564,898 117.576,899 105.923,901 223.651,902 138.695,903 115.369,906 223.651,907 30.57,908 51.776,910 171.718,911 223.651,912 138.695,913 115.369,915 0.583,916 0.341,917 0.182,918 0.103,919 18,920 9,921 0.078,922 4,924 1,925 3.716,926 214.173,928 18,929 118.211,933 18.832,934 8.165,935 4.434,937 138.695,938 5.512,939 8.376,943 4.024,945 65.794,946 477.715,947 35,953 8.665,956 49.207,957 56.252,958 0.282,959 0.653,960 0.81,961 0.871,962 0.871,963 0.871,964 4.828,965 1.523,966 5.74,967 4.931,968 4.369,969 4.844,970 0.824,971 6.541,972 4.251,973 6.029,974 1,975 7.298,976 3.951,977 4.007,978 4.677,979 0.325,980 7.438,981 3.799,982 7.332,983 0.727,984 8.952,985 2.275,986 5.958,987 7.005,988 0.413,989 10.52,990 5.746,991 8.668,992 0.572,993 10.662,994 1.691,995 6.365,996 7.631,997 0.268,998 12.254,999 6.085,1000 10.035,1001 0.165,1002 12.41,1003 1.123,1004 7.816,1005 9.472,1006 0.246,1007 14.882,1008 7.529,1009 11.425,1010 -0.08,1011 14.185,1012 0.319,1013 8.59,1014 10.488,1015 0.188,1016 16.995,1017 8.261,1018 12.833,1019 -0.352,1020 15.981,1021 -0.188,1022 9.84,1023 12.116,1024 0.157,1025 19.468,1026 9.498,1027 3.171,1028 -0.479,1029 17.795,1030 -0.816,1031 10.798,1032 13.335,1033 0.125,1034 21.748,1035 10.429,1036 2.799,1037 11.076,1038 19.625,1039 -1.15,1040 11.969,1041 14.863,1042 0.102,1043 24.168,1044 11.584,1045 2.6,1046 8.676,1047 21.467,1048 4.257,1049 13.017,1050 16.185,1051 0.082,1052 26.519,1053 12.613,1054 2.261,1055 7.143,1056 23.319,1057 3.815,1058 14.159,1059 17.664,1060 0.067,1061 28.923,1062 13.739,1063 2.093,1064 6.614,1065 25.181,1066 3.014,1067 15.252,1068 19.04,1069 0.054,1070 31.303,1071 14.816,1072 1.985,1073 5.704,1074 27.051,1075 2.712,1076 16.387,1077 20.496,1078 0.043,1079 33.704,1080 15.934,1081 1.731,1082 5.688,1083 28.926,1084 2.549,1085 17.503,1086 21.901,1087 0.035,1088 36.097,1089 17.034,1090 7506,1091 12460,1092 18.205,1093 31.995,1094 41.84,1095 41.825,1096 43.556,1097 41.444,1098 41.257,1099 51.565,1100 2.4,1101 118.383,1102 38.644,1103 5.535,1104 5.278,1105 6.292,1106 5.216,1107 5.171,1108 7.257,1109 1.2,1110 17.964,1111 5.094,1112 14.692,1113 1.494,1114 1.494,1115 1.556,1116 1.48,1117 1.473,1118 1.842,1119 0.086,1120 4.228,1121 1.38,1122 4.016,1123 4.052,1124 4.056,1125 3.935,1126 5.287,1127 3.939,1128 3.828,1129 3.908,1130 3.824,1131 3.632,1132 5.039,1133 3.649,1134 3.751,1135 3.798,1136 3.704,1137 3.595,1138 4.975,1139 3.605,1140 3.392,1141 3.485,1142 3.297,1143 3.193,1144 4.721,1145 3.185,1146 3.273,1147 3.381,1148 3.204,1149 2.965,1150 4.465,1151 2.995,1152 3.111,1153 3.216,1154 3.173,1155 2.941,1156 4.309,1157 2.91,1158 3.108,1159 3.206,1160 2.911,1161 2.887,1162 4.209,1163 2.897,1164 2.99,1165 3.089,1166 2.866,1167 2.784,1168 3.965,1169 2.781,1170 0.162,1171 0.117,1172 0.242,1173 0.148,1174 0.113,1175 4.535,1176 0.152,1177 3.278,1178 0.029,1179 6.77,1180 0.396,1181 4.146,1182 0.111,1183 3.171,1184 4.257,1185 0.8,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.025,1191 2.067,1192 1.271,1193 2.056,1194 1.76,1195 1.686,1196 1.972,1197 2.005,1198 1.189,1199 1.999,1200 1.699,1201 1.652,1202 1.849,1203 1.855,1204 1.004,1205 1.853,1206 1.382,1207 1.297,1208 1.615,1209 1.633,1210 0.825,1211 1.653,1212 1.194,1213 1.085,1214 1.546,1215 1.519,1216 0.642,1217 1.522,1218 1.153,1219 1.064,1220 1.513,1221 1.376,1222 0.596,1223 1.429,1224 1.014,1225 0.938,1226 1.267,1227 1.372,1228 0.239,1229 1.356,1230 0.942,1231 0.867,1232 1.163,1233 1.227,1234 0.179,1235 1.214,1236 4.043,1238 5.361,1240 6.876,1242 8.484,1244 10.14,1246 4.091,1247 6.3,1250 11.801,1252 4.303,1257 4.205,1262 30.213,1263 77.592,1264 179.611,1265 222.856,1266 239.611,1267 239.611,1268 239.611,1269 43.157,1270 7.117,1271 109.02,1272 109.02,1273 18,1274 12.397,1275 3.807,1276 3,1277 44.318,1278 98,1279 108,1280 0.224,1281 193.856,1282 328.51,1283 464.767,1284 11349,1285 2,1286 18.681,1287 0.719,1288 0.605,1289 19.181,1290 15.739,1291 12.474,1292 0.445,1293 0.319,1294 8.435,1295 11.635,1296 8.162,1297 6.794,1298 12.762,1299 8.923,1300 11.313,1301 0.29,1302 0.171,1303 11.684,1304 6.662,1305 9.234,1306 0.185,1307 0.094,1308 9.614,1309 4.677,1310 7.586,1311 0.119,1312 0.047,1313 7.821,1314 3.014,1315 6.148,1316 0.077,1317 0.026,1318 6.39,1319 2.112,1320 0.35,1321 81.628,1322 0.234,1323 25.069,1324 0.618,1325 134,1326 380.699,1327 163.23,1328 406.299,1329 551.33,1330 378,1331 156,1332 398.054,1333 182.44,1334 412.168,1335 597.07,1336 386,1337 4.79}
{0 CHEMBL414017,1 1.692,2 10.091,3 3.676,4 13.514,5 92.877,6 9.549,7 0.708,8 3.684,9 3.809,10 3.447,11 3.285,12 4.905,13 3.272,14 4.131,15 4.276,16 3.857,17 3.674,18 5.375,19 3.633,20 4.371,21 4.544,22 4.033,23 3.802,24 5.57,25 3.73,26 4.378,27 4.591,28 3.681,29 3.668,30 5.5,31 3.563,32 4.319,33 4.566,34 3.475,35 3.523,36 5.389,37 3.403,38 4.151,39 4.391,40 3.321,41 3.411,42 5.163,43 3.283,44 4.008,45 4.245,46 3.335,47 3.335,48 5.035,49 3.216,50 3.853,51 4.055,52 3.401,53 3.238,54 5.003,55 3.139,56 0.094,57 0.547,58 4.566,59 2.46,60 12.366,61 2.855,62 0.183,63 0.823,64 8.607,65 4.502,66 18.551,67 5.61,68 0.303,69 0.961,70 19.366,71 5.924,72 28.993,73 7.015,74 0.298,75 0.94,76 18.158,77 6.353,78 34.472,79 8.024,80 0.384,81 0.856,82 20.099,83 6.106,84 40.193,85 7.894,86 0.294,87 0.699,88 17.682,89 5.32,90 32.021,91 6.823,92 0.213,93 0.608,94 13.814,95 4.775,96 24.352,97 6.246,98 0.166,99 0.509,100 12.537,101 4.02,102 18.326,103 5.014,104 17,105 34,106 0.307,107 0.658,108 0.778,109 0.89,110 0.9,111 0.9,112 3.146,113 0.911,114 -5.01,115 -4.91,116 -4.6,119 42.9,125 1,139 6,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 3,172 3,173 3,175 4,178 6,180 1,182 3,187 5,189 8,191 1,193 1,195 1,196 1,197 1,198 4,200 2,201 4,204 3,205 1,207 1,210 2,211 1,212 4,214 1,215 6,218 3,226 1,229 6,234 2,238 1,239 1,240 1,241 4,243 1,246 4,251 2,254 4,256 2,260 2,265 2,268 2,270 2,273 608,274 14.533,275 14.533,276 14.533,277 14.533,278 14.533,279 12.367,280 18.204,281 8.408,282 15.003,283 11.822,284 11.822,285 11.822,286 11.822,287 11.822,288 8.608,289 25.226,290 4.018,291 12.733,292 3.438,293 1.504,294 0.843,295 0.229,296 0.171,297 0.171,298 3.825,299 2,300 1,301 1,302 1,303 475,304 2.449,307 183.254,311 95.662,314 1.463,315 20.111,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47.167,327 222,328 4.541,329 3.321,330 6.502,331 4.046,332 3.079,333 4.491,334 0.657,335 10.175,336 2.983,337 4.215,338 3.121,339 5.951,340 3.744,341 2.83,342 3.87,344 8.326,345 2.59,346 3.779,347 2.719,348 5.353,349 3.373,350 2.435,351 3.236,353 6.957,354 2.272,355 3.514,356 2.43,357 5.161,358 3.107,359 2.18,360 2.829,362 6.325,363 1.922,364 3.427,365 2.164,366 5.062,367 2.964,368 2.028,369 2.811,371 5.8,372 1.888,373 3.352,374 2.129,375 4.963,376 2.889,377 1.944,378 2.673,380 5.73,381 1.816,382 2.82,383 2.022,384 4.043,385 2.306,386 1.414,387 1.949,389 3.526,390 1.199,391 2.454,392 1.077,393 3.71,394 1.983,395 1.009,396 1.435,398 2.565,399 0.981,400 1.971,401 1.049,402 3.295,403 1.702,404 0.775,405 0.895,407 1.832,408 0.703,409 1.472,410 0.673,411 2.769,412 1.043,413 0.179,414 0.219,415 0.41,416 0.13,417 1.237,418 0.188,419 2.605,420 0.778,421 -0.057,422 -0.071,423 -0.135,424 -0.044,425 0.969,426 -0.074,427 2.476,428 0.481,429 -0.439,430 -0.568,431 -1.144,432 -0.39,433 0.76,434 -0.296,435 2.375,436 0.312,437 -0.573,438 -0.7,439 -1.506,440 -0.432,441 0.586,442 -0.46,443 2.205,444 0.151,445 -0.808,446 -1.01,448 -2.035,449 -0.674,450 0.442,451 -0.723,452 1.903,453 0.11,454 -0.819,455 -1.116,457 -2.396,458 -0.787,459 10.929,460 0.497,461 0.647,462 0.029,463 32,464 1.455,465 17.5,466 0.795,467 14.5,468 0.659,469 14.806,470 0.673,471 22.671,472 0.648,473 21.151,474 0.961,475 6.312,476 0.287,477 4.213,478 0.192,479 0.204,481 0.366,485 0.925,486 1.096,487 0.545,488 0.651,489 1.094,490 0.67,491 0.592,492 0.973,493 0.579,494 0.798,495 0.462,496 0.818,497 1.02,498 1.21,499 0.849,500 0.988,501 0.859,502 1.012,503 0.911,504 1.185,505 0.928,506 1.154,507 0.846,508 1.188,509 0.835,510 0.839,511 0.885,512 0.996,513 0.995,514 1.067,515 0.924,516 0.856,517 0.956,518 1.006,519 1.052,520 1.061,521 0.764,522 0.75,523 0.751,524 0.794,525 0.799,526 0.878,527 1.071,528 1.075,529 1.036,530 0.956,531 0.909,532 0.923,533 5.5,534 0.132,535 2.667,536 1.375,537 1.631,538 0.41,539 0.303,540 0.342,541 0.176,542 0.182,543 5188,544 18694,545 2.043,546 37.1,548 8,551 5,555 1.639,556 1.886,557 3.299,558 2.779,560 1,562 1,564 59.206,565 1.692,566 3.626,567 4.286,568 4.901,569 4.958,570 4.958,571 2.738,572 4.459,573 4.434,574 3.429,575 792.112,576 7.586,577 8815.46,578 1,579 1,580 1,581 1,582 179.525,583 1.495,584 4.376,585 0.229,586 0.011,587 0.078,588 0.04,589 0.063,590 0.02,591 0.017,592 0.019,593 0.01,594 0.012,595 0.499,596 0.17,597 1,598 0.65,599 102.135,600 -0.209,601 0.078,602 -0.022,603 0.145,604 -0.315,605 0.111,606 0.146,607 0.126,608 0.059,609 0.061,610 0.204,611 0.036,612 -0.096,613 -0.18,614 0.025,615 -0.07,616 -0.038,617 -0.11,618 -0.06,619 -0.207,620 -0.115,621 -0.218,622 0.004,623 -0.224,624 0.041,625 0.115,626 -0.055,627 -0.038,628 -0.057,629 -0.057,630 -0.079,631 0.068,632 -0.078,633 -0.017,634 -0.189,635 -0.027,636 0.019,637 0.165,638 0.099,639 0.208,640 0.01,641 0.175,642 -0.099,643 -0.156,644 0.033,645 0.065,646 0.044,647 0.092,648 1.499,649 1.894,650 0.727,651 17.058,652 1.016,653 1.127,654 3.776,655 14.256,656 0.73,657 3.219,658 3.555,659 3.784,660 4.007,661 4.248,662 4.22,663 4.234,664 4.317,665 4.431,666 4.419,667 5.867,668 0.697,669 334.23,670 3.219,671 4.762,672 5.602,673 6.475,674 7.331,675 8.204,676 9.066,677 9.939,678 10.804,679 11.677,680 14.3,684 2,685 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,712 1,717 2,718 35,719 17,720 2,721 24,723 37,724 15,725 14,726 6,727 6,729 3,730 4,731 2,741 14,742 1,753 1,754 1,757 13,758 5,759 5,760 7,761 2,764 5,769 0.667,776 1,781 3,785 1,802 2,807 2,810 22,811 2,816 1,817 1,828 2,836 11.667,837 6.102,838 4.75,839 1.827,840 3.321,841 1.48,842 1.029,843 4.245,844 10.235,845 3.512,846 4.19,847 4.785,848 5.376,849 5.973,850 6.179,851 6.458,852 6.816,853 7.231,854 7.276,855 0.857,856 34,857 8.023,859 3.39,860 7.843,861 15.029,863 12.148,865 2.343,866 51.556,870 94.169,871 80.851,872 117.376,873 78.297,877 80.851,878 172.466,879 117.376,881 2.106,882 122.652,883 51.582,884 17.661,885 4.227,886 94.169,887 78.297,888 94.169,889 198.227,891 78.297,893 94.169,897 6.149,898 140.496,899 129.879,901 94.169,902 117.376,903 159.148,906 94.169,907 23.993,908 56.857,909 18.011,910 177.663,911 94.169,912 117.376,913 159.148,915 0.592,916 0.34,917 0.173,918 0.098,919 17,920 8,921 0.081,922 3,923 1,924 1.125,925 3.445,926 168.577,927 0.125,928 16,929 98.107,933 15.154,934 6.162,935 3.375,936 1.471,937 117.376,938 11.167,939 8.111,943 3.531,945 83.805,946 370.693,947 32.5,956 35.574,957 39.456,958 0.33,959 0.707,960 0.836,961 0.955,962 0.967,963 0.967,964 4.738,965 1.009,966 5.602,967 3.526,968 4.234,969 4.875,970 0.623,971 6.392,972 4.097,973 5.98,974 0.775,975 7.155,976 2.565,977 3.892,978 4.808,980 7.222,981 3.633,982 7.304,983 0.179,984 8.801,985 1.832,986 5.82,987 7.168,988 0.317,989 10.283,990 5.582,991 8.661,992 -0.057,993 10.497,994 0.41,995 6.217,996 7.861,998 11.89,999 5.869,1000 10.043,1001 -0.439,1002 12.225,1003 -0.135,1004 7.66,1005 9.736,1006 0.149,1007 14.487,1008 7.331,1009 11.445,1010 -0.573,1011 13.975,1012 -1.144,1013 8.411,1014 10.811,1016 16.46,1017 8,1018 12.863,1019 -0.808,1020 15.743,1021 -1.506,1022 9.653,1023 12.474,1024 0.067,1025 18.882,1026 9.245,1027 3.079,1028 -0.819,1029 17.525,1030 -2.035,1031 10.583,1032 13.753,1034 21.034,1035 10.115,1036 2.83,1037 10.175,1038 19.319,1039 -2.396,1040 11.74,1041 15.318,1042 0.03,1043 23.387,1044 11.263,1045 2.435,1046 8.326,1047 21.122,1048 4.491,1049 12.759,1050 16.704,1052 25.625,1053 12.238,1054 2.18,1055 6.957,1056 22.934,1057 3.87,1058 13.882,1059 18.225,1060 0.013,1061 27.952,1062 13.344,1063 2.028,1064 6.325,1065 24.754,1066 3.236,1067 14.945,1068 19.664,1070 30.231,1071 14.372,1072 1.944,1073 5.8,1074 26.58,1075 2.829,1076 16.056,1077 21.168,1078 0.006,1079 32.549,1080 15.461,1081 1.414,1082 5.73,1083 28.412,1084 2.811,1085 17.142,1086 22.634,1088 34.847,1089 16.517,1090 5053,1091 9706,1092 15.72,1093 25.551,1094 36.006,1095 36.91,1096 37.079,1097 35.982,1098 35.746,1099 48.812,1100 1.315,1101 103.289,1102 32.966,1103 5.365,1104 5.321,1105 5.879,1106 5.118,1107 5.079,1108 7.491,1109 1.315,1110 17.069,1111 4.983,1112 11.856,1113 1.5,1114 1.538,1115 1.545,1116 1.499,1117 1.489,1118 2.034,1119 0.055,1120 4.304,1121 1.374,1122 4.07,1123 4.106,1124 4.12,1125 3.977,1126 5.308,1127 3.986,1128 3.912,1129 3.932,1130 4.026,1131 3.867,1132 5.041,1133 3.858,1134 3.515,1135 3.585,1136 3.506,1137 3.31,1138 4.982,1139 3.338,1140 3.226,1141 3.295,1142 3.401,1143 3.077,1144 4.715,1145 3.07,1146 3.129,1147 3.236,1148 3.321,1149 2.9,1150 4.491,1151 2.916,1152 2.878,1153 2.922,1154 3.024,1155 2.791,1156 4.344,1157 2.765,1158 2.833,1159 2.903,1160 2.891,1161 2.645,1162 4.165,1163 2.656,1164 2.681,1165 2.792,1166 2.576,1167 2.394,1168 3.878,1169 2.405,1170 0.189,1171 0.138,1172 0.271,1173 0.169,1174 0.128,1175 4.541,1176 0.187,1177 3.321,1178 0.027,1179 6.502,1180 0.424,1181 4.046,1182 0.124,1183 3.079,1184 4.491,1185 0.657,1186 10.175,1187 2.983,1188 2.012,1189 1.984,1190 2.076,1191 2.129,1192 1.203,1193 2.114,1194 1.891,1195 1.873,1196 1.962,1197 1.962,1198 1.122,1199 1.974,1200 1.427,1201 1.364,1202 1.56,1203 1.668,1204 0.659,1205 1.648,1206 1.185,1207 1.125,1208 1.405,1209 1.405,1210 0.395,1211 1.419,1212 1.047,1213 0.969,1214 1.294,1215 1.386,1216 0.205,1217 1.371,1218 0.868,1219 0.824,1220 1.098,1221 1.028,1222 0.16,1223 1.063,1224 0.787,1225 0.712,1226 1.063,1227 0.999,1229 1.033,1230 0.636,1231 0.523,1232 0.953,1233 0.959,1235 0.975,1236 3.892,1238 5.22,1240 6.742,1242 8.354,1244 10.014,1247 11.908,1250 11.461,1252 0.609,1253 3.298,1262 24.396,1263 59.206,1264 126.896,1265 150.015,1266 171.525,1267 173.525,1268 173.525,1269 30.483,1270 6.914,1271 89.85,1272 89.85,1273 18,1274 12.22,1275 4.17,1276 3.248,1277 34.712,1278 78,1279 70,1280 0.22,1281 159.693,1282 262.58,1283 381.412,1284 8818,1285 5.7,1286 15.69,1287 0.713,1288 0.59,1289 16.69,1290 12.988,1291 10.525,1292 0.439,1293 0.304,1294 6.523,1295 9.687,1296 6.321,1297 5.222,1298 11.102,1299 7.289,1300 9.868,1301 0.29,1302 0.165,1303 10.609,1304 5.615,1305 8.057,1306 0.187,1307 0.092,1308 8.971,1309 3.962,1310 6.426,1311 0.119,1312 0.045,1313 6.827,1314 2.455,1315 5.272,1316 0.076,1317 0.025,1318 5.653,1319 1.704,1320 0.348,1321 71.348,1322 0.252,1323 21.856,1324 0.593,1325 116,1326 336.654,1327 155.143,1328 397.863,1329 527.1,1330 368,1331 135,1332 348.74,1333 169.723,1334 376.717,1335 548.94,1336 354,1337 7.74}
{0 CHEMBL415962,1 1.588,2 10.652,3 2.391,4 5.716,5 91.064,6 7.571,7 0.68,8 3.828,9 3.966,10 3.403,11 3.298,12 5.014,13 3.305,14 4.303,15 4.492,16 3.746,17 3.643,18 5.454,19 3.637,20 4.459,21 4.647,22 3.802,23 3.785,24 5.594,25 3.754,26 4.559,27 4.78,28 3.663,29 3.806,30 5.608,31 3.715,32 4.604,33 4.871,34 3.485,35 3.744,36 5.562,37 3.611,38 4.487,39 4.779,40 3.341,41 3.562,42 5.377,43 3.435,44 4.22,45 4.456,46 3.29,47 3.405,48 5.186,49 3.334,50 4.145,51 4.369,52 3.207,53 3.358,54 5.236,55 3.267,56 0.059,57 0.658,58 8.337,59 3.027,60 10.739,61 4.245,62 0.264,63 0.972,64 15.243,65 4.989,66 24.393,67 7.024,68 0.292,69 1.136,70 17.477,71 5.692,72 26.189,73 8.116,74 0.23,75 1.16,76 20.211,77 7.082,78 29.5,79 10.381,80 0.309,81 1.117,82 22.743,83 7.284,84 38.987,85 11.263,86 0.329,87 0.935,88 21.331,89 6.469,90 34.674,91 9.999,92 0.243,93 0.761,94 15.431,95 4.717,96 20.079,97 6.88,98 0.216,99 0.745,100 13.411,101 4.268,102 25.898,103 6.383,104 18,105 35,106 0.279,107 0.634,108 0.775,109 0.841,110 0.841,111 0.841,112 3.188,113 0.852,114 -3.35,115 -3.33,116 -3.19,119 39,124 2,125 1,139 6,141 2,143 3,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 6,172 3,173 3,178 2,181 3,182 7,184 1,185 1,189 2,193 2,195 1,196 1,197 1,198 2,200 2,204 2,205 1,206 1,207 3,209 1,210 1,212 2,215 2,218 2,220 2,221 2,223 1,224 1,229 4,241 2,245 1,246 5,248 1,249 1,251 2,256 2,260 5,265 2,270 2,273 695,274 15.403,275 15.403,276 15.403,277 15.403,278 15.403,279 13.367,280 20.865,281 8.931,282 15.915,283 12.26,284 12.26,285 12.26,286 12.26,287 12.26,288 9.156,289 27.88,290 4.174,291 13.017,292 3.77,293 1.751,294 0.952,295 0.573,296 0.573,297 0.573,298 3.868,300 1,301 1,302 1,303 523,304 2.915,307 196.474,311 103.055,314 1.58,315 17.711,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50,327 245,328 4.542,329 3.182,330 6.503,331 4.036,332 3.083,333 4.491,334 0.916,335 10.18,336 2.937,337 4.13,338 3.055,339 6.056,340 3.785,341 2.836,342 3.688,343 0.86,344 8.709,345 2.692,346 3.793,347 2.79,348 5.346,349 3.4,350 2.455,351 3.244,352 0.172,353 6.965,354 2.319,355 3.596,356 2.486,357 5.234,358 3.201,359 2.271,360 2.9,362 6.564,363 2.109,364 3.427,365 2.171,366 5.062,367 2.962,368 2.03,369 2.811,371 5.802,372 1.884,373 3.352,374 2.036,375 4.97,376 2.893,377 1.946,378 2.671,380 5.75,381 1.837,382 2.54,383 1.555,384 4.063,385 2.24,386 1.303,387 1.547,389 3.394,390 1.215,391 2.5,392 1.058,393 3.708,394 2,395 1.006,396 1.5,398 2.565,399 1,400 2.444,401 1.009,402 3.414,403 1.952,404 1,405 1.422,407 2.275,408 0.949,409 1.646,410 1,411 2.942,412 1.36,413 0.491,414 0.547,415 0.784,416 0.422,417 1.476,418 0.397,419 2.713,420 1.096,421 0.162,422 0.203,423 0.386,424 0.151,425 0.987,426 -0.145,427 2.594,428 0.55,429 -0.378,430 -0.467,431 -0.94,432 -0.35,433 0.827,434 -0.247,435 2.48,436 0.442,437 -0.478,438 -0.597,439 -1.132,440 -0.438,441 0.676,442 -0.309,443 2.207,444 0.329,445 -0.601,446 -0.712,448 -1.324,449 -0.553,450 0.51,451 -0.719,452 2,453 0.132,454 -0.815,455 -1.09,457 -2.213,458 -0.77,459 10.733,460 0.467,461 0.609,462 0.026,463 33.75,464 1.467,465 18,466 0.783,467 15.75,468 0.685,469 14.653,470 0.637,471 24.667,472 0.602,473 23.771,474 1.034,475 6.885,476 0.299,477 4.178,478 0.182,479 0.168,481 0.363,485 1.065,486 1.428,487 0.807,488 1.091,489 1.249,490 0.926,491 1.107,492 0.973,493 0.765,494 0.81,495 0.61,496 0.752,497 1.114,498 1.068,499 1.049,500 1.033,501 0.906,502 1.029,503 0.812,504 1.241,505 1.078,506 1.276,507 0.738,508 1.236,509 0.655,510 1.041,511 1.056,512 1.132,513 0.974,514 1.15,515 0.723,516 0.721,517 0.898,518 0.862,519 0.872,520 0.895,521 1.402,522 0.968,523 1.027,524 0.888,525 0.903,526 0.912,527 0.929,528 1.124,529 1.23,530 1.247,531 1.234,532 1.274,533 5.5,534 0.132,535 2.667,536 1.563,537 1.6,538 0.618,539 0.424,540 0.326,541 0.209,542 0.107,543 5745,544 16155,545 2.041,546 43.9,548 14,551 4,555 1.653,556 1.89,557 3.364,558 1.865,559 1,560 1,562 1,564 65.091,565 1.588,566 3.607,567 4.406,568 4.784,569 4.784,570 4.784,571 2.871,572 4.263,573 4.494,574 3.484,575 881.514,576 7.719,577 10050,578 1,579 1,581 1,582 219.66,583 1.478,584 4.443,585 0.22,586 0.012,587 0.076,588 0.043,589 0.053,590 0.026,591 0.02,592 0.016,593 0.012,594 0.007,595 0.485,596 0.17,597 1,598 0.832,599 108.318,600 -0.141,601 -0.199,602 0.033,603 -0.05,604 -0.279,605 0.016,606 0.027,607 0.136,608 0.164,609 0.183,610 0.221,611 0.187,612 -0.085,613 0.074,614 -0.143,615 -0.054,616 -0.043,617 -0.103,618 -0.025,619 -0.217,620 -0.16,621 -0.253,622 0.059,623 -0.239,624 0.044,625 -0.096,626 -0.094,627 -0.139,628 -0.08,629 -0.139,630 0.082,631 0.165,632 0.114,633 0.108,634 -0.009,635 0.118,636 -0.234,637 -0.023,638 -0.037,639 0.106,640 -0.072,641 0.068,642 -0.032,643 -0.078,644 -0.298,645 -0.271,646 -0.168,647 -0.317,648 1.514,649 1.879,650 0.696,651 18.941,652 1.006,653 1.139,654 2.12,655 4.496,656 0.66,657 3.258,658 3.584,659 3.829,660 4.06,661 4.29,662 4.317,663 4.369,664 4.382,665 4.511,666 4.419,667 6.005,668 0.634,669 310.4,670 3.258,671 4.796,672 5.638,673 6.512,674 7.37,675 8.246,676 9.11,677 9.986,678 10.854,679 11.731,680 14.6,684 2,686 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,714 1,716 1,718 41,719 17,720 1,721 25,723 43,724 16,725 13,726 2,727 4,729 3,730 4,741 13,742 3,753 1,754 1,757 18,758 7,759 4,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 2,810 23,811 2,816 1,818 1,821 1,829 2.4,834 1,836 12.167,837 7.883,838 5.083,839 2.108,840 3.275,841 1.47,842 0.995,843 4.279,844 10.244,845 3.541,846 4.19,847 4.794,848 5.39,849 5.987,850 6.222,851 6.538,852 6.856,853 7.273,854 7.284,855 1,856 36,857 8.402,859 3.464,860 7.746,861 15.869,863 12.494,865 2.246,866 51.667,869 1,870 164.795,871 97.515,872 119.275,874 11,877 97.515,878 175.795,879 119.275,880 19.279,881 2.106,882 122.652,883 50.357,884 29.169,885 4.227,886 164.795,888 164.795,889 216.79,890 11,893 164.795,894 11,897 11.05,898 155.384,899 50.357,901 164.795,902 130.275,903 97.515,906 164.795,907 21.378,908 79.261,910 127.151,911 164.795,912 130.275,913 97.515,915 0.584,916 0.342,917 0.179,918 0.098,919 17,920 8,921 0.093,922 4,923 1,924 1.125,925 3.52,926 179.752,927 0.125,928 16,929 100.042,933 15.466,934 6.363,935 3.334,936 1.214,937 130.275,938 11.612,939 12.628,943 3.208,945 65.794,946 392.585,947 33.5,956 41.24,957 46.69,958 0.296,959 0.673,960 0.822,961 0.893,962 0.893,963 0.893,964 4.764,965 1.006,966 5.631,967 3.394,968 4.263,969 4.875,970 1.382,971 6.425,972 4.151,973 5.99,974 1,975 7.185,976 2.565,977 3.892,978 4.745,979 0.325,980 7.273,981 3.714,982 7.305,983 0.491,984 8.831,985 2.275,986 5.849,987 7.141,988 1.115,989 10.334,990 5.634,991 8.653,992 0.162,993 10.529,994 0.784,995 6.236,996 7.792,997 0.393,998 11.963,999 5.952,1000 10.029,1001 -0.378,1002 12.261,1003 0.386,1004 7.691,1005 9.689,1006 0.921,1007 14.552,1008 7.378,1009 11.426,1010 -0.478,1011 14.015,1012 -0.94,1013 8.438,1014 10.739,1015 0.384,1016 16.539,1017 8.06,1018 12.838,1019 -0.601,1020 15.787,1021 -1.132,1022 9.685,1023 12.415,1024 0.764,1025 18.953,1026 9.275,1027 3.083,1028 -0.815,1029 17.573,1030 -1.324,1031 10.612,1032 13.682,1033 0.351,1034 21.11,1035 10.143,1036 2.836,1037 10.18,1038 19.37,1039 -2.213,1040 11.771,1041 15.255,1042 0.634,1043 23.457,1044 11.265,1045 2.455,1046 8.709,1047 21.177,1048 4.491,1049 12.789,1050 16.637,1051 0.312,1052 25.694,1053 12.228,1054 2.271,1055 6.965,1056 22.991,1057 3.688,1058 13.912,1059 18.165,1060 0.525,1061 28.016,1062 13.311,1063 2.03,1064 6.564,1065 24.813,1066 3.244,1067 14.975,1068 19.606,1069 0.273,1070 30.291,1071 14.321,1072 1.946,1073 5.802,1074 26.641,1075 2.9,1076 16.086,1077 21.115,1078 0.433,1079 32.605,1080 15.389,1081 1.303,1082 5.75,1083 28.474,1084 2.811,1085 17.172,1086 22.585,1087 0.236,1088 34.899,1089 16.425,1090 5619,1091 9545,1092 16.414,1093 27.057,1094 37.414,1095 37.606,1096 38.598,1097 37.169,1098 37.168,1099 50.047,1100 3.898,1101 106.749,1102 35.031,1103 5.369,1104 5.182,1105 6.054,1106 5.109,1107 5.083,1108 7.491,1109 1.776,1110 17.074,1111 4.937,1112 12.129,1113 1.497,1114 1.504,1115 1.544,1116 1.487,1117 1.487,1118 2.002,1119 0.156,1120 4.27,1121 1.401,1122 4.057,1123 4.101,1124 4.031,1125 3.928,1126 5.323,1127 3.947,1128 3.911,1129 3.942,1130 3.856,1131 3.819,1132 4.988,1133 3.824,1134 3.555,1135 3.621,1136 3.478,1137 3.362,1138 4.875,1139 3.382,1140 3.344,1141 3.419,1142 3.227,1143 3.112,1144 4.771,1145 3.129,1146 3.184,1147 3.268,1148 3.01,1149 2.917,1150 4.418,1151 2.917,1152 3.114,1153 3.229,1154 2.965,1155 2.82,1156 4.216,1157 2.853,1158 2.915,1159 3.018,1160 2.72,1161 2.735,1162 3.975,1163 2.715,1164 2.854,1165 2.925,1166 2.687,1167 2.701,1168 3.901,1169 2.693,1170 0.182,1171 0.127,1172 0.26,1173 0.161,1174 0.123,1175 4.542,1176 0.18,1177 3.182,1178 0.037,1179 6.503,1180 0.407,1181 4.036,1182 0.117,1183 3.083,1184 4.491,1185 0.916,1186 10.18,1187 2.937,1188 1.974,1189 1.938,1190 2.044,1191 2.124,1192 1.165,1193 2.1,1194 1.881,1195 1.855,1196 1.977,1197 1.999,1198 1.051,1199 1.996,1200 1.49,1201 1.428,1202 1.692,1203 1.724,1204 0.805,1205 1.717,1206 1.283,1207 1.209,1208 1.56,1209 1.555,1210 0.572,1211 1.555,1212 1.159,1213 1.07,1214 1.513,1215 1.456,1216 0.541,1217 1.489,1218 1.008,1219 0.911,1220 1.291,1221 1.383,1222 0.311,1223 1.364,1224 0.92,1225 0.821,1226 1.267,1227 1.189,1228 0.218,1229 1.23,1230 0.886,1231 0.819,1232 1.181,1233 1.062,1234 0.035,1235 1.107,1236 3.932,1238 5.252,1240 6.772,1242 8.382,1244 10.038,1246 3.646,1250 11.473,1252 0.631,1254 5.169,1257 2.085,1262 26.004,1263 65.091,1264 147.885,1265 180.64,1266 196.15,1267 196.15,1268 196.15,1269 29.204,1270 6.969,1271 103.18,1272 103.18,1273 18,1274 12.271,1275 4.17,1276 3.248,1277 37.034,1278 83,1279 90,1280 0.221,1281 163.411,1282 269.25,1283 390.482,1284 9316,1286 16.397,1287 0.713,1288 0.566,1289 16.397,1290 13.023,1291 11.063,1292 0.443,1293 0.284,1294 6.965,1295 10.539,1296 6.737,1297 5.651,1298 11.063,1299 7.104,1300 10.059,1301 0.287,1302 0.148,1303 10.059,1304 5.191,1305 8.345,1306 0.185,1307 0.079,1308 8.345,1309 3.557,1310 6.869,1311 0.121,1312 0.041,1313 6.869,1314 2.355,1315 5.389,1316 0.075,1317 0.021,1318 5.389,1319 1.511,1320 0.349,1321 69.954,1322 0.247,1323 22.698,1324 0.599,1325 120,1326 354.94,1327 133.397,1328 347.872,1329 482.45,1330 326,1331 140,1332 365.151,1333 153.426,1334 373.374,1335 540.24,1336 348,1337 7.745}
{0 CHEMBL417746,1 1.458,2 10.875,3 2.962,4 8.774,5 96.817,6 7.91,7 0.815,8 3.816,9 3.951,10 3.437,11 3.389,12 5.006,13 3.384,14 4.269,15 4.428,16 3.799,17 3.767,18 5.455,19 3.74,20 4.507,21 4.711,22 3.831,23 3.873,24 5.621,25 3.822,26 4.499,27 4.719,28 3.644,29 3.79,30 5.561,31 3.698,32 4.46,33 4.715,34 3.452,35 3.648,36 5.457,37 3.538,38 4.329,39 4.604,40 3.272,41 3.487,42 5.293,43 3.374,44 4.141,45 4.397,46 3.208,47 3.408,48 5.053,49 3.306,50 4.017,51 4.243,52 3.251,53 3.352,54 5.077,55 3.276,56 0.049,57 0.66,58 7.331,59 2.953,60 10.456,61 3.813,62 0.133,63 1.018,64 12.293,65 5.218,66 18.296,67 6.931,68 0.241,69 1.228,70 17.511,71 6.319,72 27.232,73 8.621,74 0.151,75 1.157,76 17.965,77 6.85,78 27.102,79 9.548,80 0.184,81 1.066,82 18.842,83 6.469,84 32.482,85 9.264,86 0.274,87 0.922,88 17.347,89 5.53,90 32.474,91 7.961,92 0.119,93 0.761,94 13.841,95 5.013,96 17.866,97 7.17,98 0.09,99 0.706,100 11.338,101 4.361,102 16.949,103 6.131,104 5,105 38,106 0.253,107 0.571,108 0.719,109 0.852,110 0.873,111 0.89,112 3.228,113 0.845,114 -4.17,115 -4.12,116 -3.89,119 45,125 1,139 9,140 2,141 1,143 3,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 2,172 3,173 3,175 2,178 12,181 2,182 2,184 1,185 2,187 3,189 10,193 1,195 1,196 1,197 1,198 5,200 2,201 4,204 2,205 1,207 3,209 1,210 1,212 4,215 3,218 2,221 2,224 2,225 1,226 1,228 1,229 4,234 2,241 4,246 6,250 1,251 2,253 1,254 4,256 2,260 5,265 2,268 3,270 2,273 738,274 16.394,275 16.394,276 16.394,277 16.394,278 16.394,279 13.791,280 16.037,281 9.649,282 16.684,283 13.359,284 13.359,285 13.359,286 13.359,287 13.359,288 9.461,289 23.348,290 4.63,291 13.857,292 3.864,293 2.036,294 1.182,295 0.419,296 0.3,297 0.2,298 3.932,300 1,301 1,302 1,303 581,304 2.449,307 236.935,311 201.134,314 1.563,315 17.021,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51,327 261,328 4.541,329 3.133,330 6.502,331 4.032,332 3.079,333 4.491,334 0.657,335 10.175,336 2.935,337 4.406,338 2.955,339 6.183,340 3.919,341 2.923,342 4.336,344 9.226,345 2.909,346 3.792,347 2.68,348 5.368,349 3.406,350 2.453,351 3.245,353 7.023,354 2.339,355 3.621,356 2.35,357 5.195,358 3.194,359 2.235,360 3.042,362 6.521,363 2.146,364 3.428,365 2.165,366 5.062,367 2.964,368 2.032,369 2.811,371 5.801,372 1.885,373 3.362,374 2.033,375 4.964,376 2.897,377 1.949,378 2.688,380 5.736,381 1.843,382 3.118,383 1.618,384 4.414,385 2.618,386 1.618,387 2.427,389 4.367,390 1.618,391 2.899,392 1.429,393 3.71,394 2.41,395 1.414,396 2.091,398 3.02,399 1.409,400 2.454,401 1.061,402 3.622,403 1.961,404 1.009,405 1.435,407 2.565,408 0.958,409 2.216,410 0.99,411 3.306,412 1.783,413 0.821,414 1.098,415 1.913,416 0.788,417 1.905,418 0.664,419 3.134,420 1.573,421 0.603,422 0.78,423 1.429,424 0.584,425 1.388,426 0.187,427 2.752,428 0.971,429 0.036,430 0.046,431 0.089,432 0.033,433 1.022,434 -0.248,435 2.589,436 0.586,437 -0.377,438 -0.5,439 -0.946,440 -0.36,441 0.95,442 -0.309,443 2.466,444 0.466,445 -0.46,446 -0.593,448 -1.168,449 -0.426,450 0.882,451 -0.618,452 2.258,453 0.382,454 -0.618,455 -0.927,457 -1.596,458 -0.618,459 11.4,460 0.475,461 0.571,462 0.024,463 37.5,464 1.563,465 21.5,466 0.896,467 16,468 0.667,469 13.988,470 0.583,471 24,472 0.6,473 25.197,474 1.05,475 7.442,476 0.31,477 4.245,478 0.177,479 0.07,481 0.351,485 1.16,486 1.106,487 0.78,488 0.818,489 1.305,490 0.758,491 0.632,492 1.051,493 0.774,494 1.001,495 0.497,496 0.926,497 1.022,498 0.938,499 1.002,500 0.955,501 0.862,502 0.972,503 0.856,504 1.184,505 1.096,506 1.25,507 0.756,508 1.215,509 1.04,510 1.079,511 1.103,512 1.115,513 1.093,514 1.118,515 1.124,516 0.691,517 1.102,518 0.844,519 1.109,520 0.946,521 0.869,522 0.862,523 0.902,524 0.891,525 0.778,526 0.899,527 0.715,528 1.023,529 0.848,530 1.01,531 0.722,532 0.96,533 5,534 0.136,535 2.444,536 1.25,537 1.693,538 0.382,539 0.282,540 0.323,541 0.131,542 0.164,543 7239,544 18749,545 2.161,546 40,548 11,551 5,555 1.663,556 2.057,557 3.406,558 2.619,559 1,560 1,562 1,564 58.309,565 1.458,566 3.286,567 4.14,568 4.903,569 5.022,570 5.122,571 2.872,572 4.085,573 4.561,574 3.537,575 976.23,576 7.835,577 11634.8,578 1,579 1,580 1,581 1,582 212.877,583 1.281,584 4.532,585 0.185,586 0.009,587 0.064,588 0.033,589 0.056,590 0.016,591 0.014,592 0.016,593 0.006,594 0.009,595 0.408,596 0.33,597 1,598 0.49,599 115.244,600 -0.213,601 0.031,602 0.01,603 0.117,604 -0.335,605 0.1,606 0.259,607 0.029,608 0.06,609 -0.043,610 0.239,611 -0.024,612 0.029,613 0.111,614 -0.084,615 -0.014,616 -0.012,617 -0.056,618 0.036,619 -0.214,620 -0.15,621 -0.267,622 0.097,623 -0.242,624 -0.057,625 -0.143,626 -0.089,627 -0.135,628 -0.069,629 -0.12,630 -0.022,631 0.254,632 -0.049,633 0.123,634 -0.121,635 0.05,636 -0.041,637 0.045,638 0.108,639 0.133,640 -0.017,641 0.14,642 0.112,643 -0.074,644 0.11,645 -0.002,646 0.175,647 0.043,648 1.51,649 1.881,650 0.833,651 19.375,652 1.001,653 1.127,654 2.943,655 8.66,656 0.696,657 3.332,658 3.664,659 3.932,660 4.205,661 4.466,662 4.454,663 4.522,664 4.625,665 4.745,666 4.691,667 6.298,668 0.669,669 316.4,670 3.332,671 4.875,672 5.727,673 6.605,674 7.47,675 8.35,676 9.219,677 10.098,678 10.97,679 11.849,680 15,684 2,685 1,690 3,694 4,695 9,696 3,700 4,702 22,711 2,712 1,718 40,719 22,720 2,721 27,723 43,724 18,725 17,726 3,727 7,729 4,730 6,741 17,742 1,753 1,754 1,757 16,758 6,759 5,760 6,764 6,769 0.5,775 1,776 1,781 4,785 2,802 2,810 24,811 2,816 1,817 1,836 11.667,837 7.017,838 5.167,839 2.189,840 4.5,841 1.6,842 1.068,843 3.634,844 12.006,845 3.664,846 4.357,847 5.009,848 5.652,849 6.28,850 6.54,851 6.894,852 7.273,853 7.678,854 7.619,855 1,856 38,857 8.785,859 3.753,860 7.681,861 16.742,863 13.778,865 2.181,866 52.333,869 1,870 129.482,871 106.567,872 134.162,877 106.567,878 129.482,879 134.162,881 2.106,882 151.081,883 68.367,884 14.948,885 4.227,886 129.482,888 129.482,889 240.728,893 129.482,897 11.05,898 161.311,899 68.367,901 129.482,902 134.162,903 106.567,906 129.482,907 21.28,908 85.286,909 18.011,910 116.151,911 129.482,912 134.162,913 106.567,915 0.585,916 0.34,917 0.188,918 0.107,919 20,920 8,921 0.07,922 3,923 2,924 1.2,925 3.739,926 196.621,927 0.2,928 20,929 110.039,933 14.669,934 5.947,935 2.973,936 3.632,937 134.162,938 18.293,939 12.616,943 2.349,945 83.805,946 370.21,947 38,956 40.029,957 45.066,958 0.274,959 0.618,960 0.778,961 0.921,962 0.944,963 0.962,964 4.879,965 1.414,966 5.707,967 4.367,968 4.344,969 5.043,970 0.623,971 6.5,972 4.273,973 6.114,974 1.009,975 7.251,976 3.02,977 3.892,978 4.913,980 7.322,981 3.78,982 7.434,983 0.821,984 8.889,985 2.565,986 5.922,987 7.371,988 0.317,989 10.411,990 5.786,991 8.791,992 0.603,993 10.583,994 1.913,995 6.256,996 8.055,998 12.048,999 6.082,1000 10.177,1001 0.036,1002 12.313,1003 1.429,1004 7.76,1005 9.981,1006 0.149,1007 14.648,1008 7.565,1009 11.584,1010 -0.377,1011 14.068,1012 0.089,1013 8.483,1014 11.074,1016 16.648,1017 8.254,1018 13.009,1019 -0.46,1020 15.843,1021 -0.946,1022 9.759,1023 12.762,1024 0.067,1025 19.064,1026 9.507,1027 3.079,1028 -0.618,1029 17.631,1030 -1.168,1031 10.678,1032 14.062,1034 21.23,1035 10.394,1036 2.923,1037 10.175,1038 19.432,1039 -1.596,1040 11.854,1041 15.641,1042 0.03,1043 23.576,1044 11.543,1045 2.453,1046 9.226,1047 21.243,1048 4.491,1049 12.871,1050 17.042,1052 25.815,1053 12.527,1054 2.235,1055 7.023,1056 23.062,1057 4.336,1058 14.003,1059 18.57,1060 0.013,1061 28.134,1062 13.631,1063 2.032,1064 6.521,1065 24.887,1066 3.245,1067 15.068,1068 20.019,1070 30.408,1071 14.661,1072 1.949,1073 5.801,1074 26.719,1075 3.042,1076 16.184,1077 21.526,1078 0.006,1079 32.717,1080 15.746,1081 1.618,1082 5.736,1083 28.555,1084 2.811,1085 17.271,1086 22.996,1088 35.007,1089 16.797,1090 6715,1091 10943,1092 18.493,1093 27.841,1094 40.521,1095 40.506,1096 40.995,1097 40.346,1098 40.342,1099 56.978,1100 1.315,1101 115.729,1102 38.892,1103 5.365,1104 5.133,1105 6.189,1106 5.104,1107 5.079,1108 7.491,1109 1.315,1110 17.069,1111 4.935,1112 8.873,1113 1.501,1114 1.5,1115 1.518,1116 1.494,1117 1.494,1118 2.11,1119 0.049,1120 4.286,1121 1.44,1122 4.097,1123 4.128,1124 4.055,1125 4.043,1126 5.323,1127 4.04,1128 4.027,1129 4.062,1130 3.998,1131 3.908,1132 4.989,1133 3.928,1134 3.588,1135 3.653,1136 3.51,1137 3.441,1138 4.912,1139 3.447,1140 3.437,1141 3.493,1142 3.358,1143 3.298,1144 4.774,1145 3.309,1146 3.15,1147 3.234,1148 3.029,1149 2.988,1150 4.398,1151 2.986,1152 3.109,1153 3.219,1154 2.99,1155 2.905,1156 4.208,1157 2.904,1158 3.017,1159 3.075,1160 2.89,1161 2.795,1162 3.929,1163 2.83,1164 2.698,1165 2.782,1166 2.593,1167 2.565,1168 3.894,1169 2.562,1170 0.168,1171 0.116,1172 0.241,1173 0.149,1174 0.114,1175 4.541,1176 0.166,1177 3.133,1178 0.024,1179 6.502,1180 0.377,1181 4.032,1182 0.109,1183 3.079,1184 4.491,1185 0.657,1186 10.175,1187 2.935,1188 2.071,1189 2.051,1190 2.156,1191 2.142,1192 1.285,1193 2.144,1194 1.964,1195 1.929,1196 2.022,1197 2.105,1198 1.112,1199 2.086,1200 1.547,1201 1.496,1202 1.705,1203 1.743,1204 0.8,1205 1.735,1206 1.405,1207 1.353,1208 1.567,1209 1.578,1210 0.642,1211 1.582,1212 1.125,1213 1.059,1214 1.372,1215 1.383,1216 0.364,1217 1.369,1218 1.039,1219 0.979,1220 1.276,1221 1.35,1222 0.321,1223 1.363,1224 0.991,1225 0.887,1226 1.269,1227 1.183,1228 0.039,1229 1.217,1230 0.68,1231 0.626,1232 0.942,1233 0.937,1235 0.947,1236 4.007,1238 5.333,1240 6.862,1242 8.486,1244 10.159,1250 11.482,1252 0.581,1253 3.38,1262 26.762,1263 58.309,1264 131.454,1265 165.593,1266 196.122,1267 200.877,1268 204.877,1269 27.155,1270 7.506,1271 102.74,1272 102.74,1273 24,1274 12.387,1275 4.524,1276 3.585,1277 34.125,1278 93,1279 76,1280 0.181,1281 165.351,1282 266.52,1283 395.216,1284 19811,1286 16.518,1287 0.688,1288 0.537,1289 16.518,1290 12.9,1291 11.687,1292 0.433,1293 0.282,1294 7.518,1295 11.357,1296 7.369,1297 6.115,1298 11.687,1299 7.602,1300 10.718,1301 0.282,1302 0.146,1303 10.718,1304 5.553,1305 8.998,1306 0.18,1307 0.077,1308 8.998,1309 3.867,1310 7.738,1311 0.117,1312 0.041,1313 7.738,1314 2.686,1315 6.507,1316 0.076,1317 0.022,1318 6.507,1319 1.871,1320 0.289,1321 72.376,1322 0.233,1323 23.665,1324 0.482,1325 130,1326 337.893,1327 140.158,1328 343.125,1329 485.8,1330 322,1331 153,1332 376.831,1333 162.936,1334 386.279,1335 563.96,1336 365,1337 6.678}
{0 CHEMBL417833,1 1.555,2 7.833,3 2.298,4 5.28,5 73.896,6 7.186,7 0.632,8 3.618,9 3.76,10 3.125,11 3.114,12 4.828,13 3.098,14 4.068,15 4.26,16 3.48,17 3.481,18 5.222,19 3.437,20 4.252,21 4.42,22 3.537,23 3.616,24 5.433,25 3.558,26 4.466,27 4.706,28 3.315,29 3.596,30 5.554,31 3.476,32 4.33,33 4.595,34 3.113,35 3.479,36 5.246,37 3.318,38 4.292,39 4.614,40 3.045,41 3.28,42 5.178,43 3.146,44 3.91,45 4.146,46 3.025,47 3.062,48 5.036,49 2.985,50 3.925,51 4.207,52 2.648,53 2.802,54 5.23,55 2.701,56 0.059,57 0.518,58 7.418,59 2.713,60 13.366,61 3.852,62 0.145,63 0.765,64 12.272,65 4.922,66 18.606,67 6.846,68 0.062,69 0.896,70 14.474,71 5.409,72 17.8,73 7.737,74 0.339,75 0.923,76 20.266,77 6.407,78 56.286,79 9.294,80 0.117,81 0.825,82 17.222,83 5.97,84 27.366,85 9.17,86 0.232,87 0.708,88 18.1,89 5.045,90 37.963,91 8.209,92 0.039,93 0.568,94 11.024,95 3.45,96 13.327,97 5.463,98 0.385,99 0.494,100 12.477,101 2.138,102 53.641,103 3.998,104 26,105 27,106 0.29,107 0.66,108 0.766,109 0.788,110 0.788,111 0.788,112 2.96,113 0.889,114 -3.49,115 -3.47,116 -3.31,119 38.2,120 2,121 1,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 2,172 3,173 3,175 3,178 9,180 1,182 2,187 5,189 10,191 1,193 2,195 1,196 1,197 1,198 3,200 2,201 7,204 2,205 1,207 4,212 4,215 2,218 3,221 4,226 4,231 3,234 4,239 4,243 4,249 2,250 1,251 2,253 1,256 2,265 2,270 2,273 332,274 11.516,275 11.516,276 11.516,277 11.516,278 11.516,279 9.806,280 15.806,281 6.59,282 11.723,283 9.319,284 9.319,285 9.319,286 9.319,287 9.319,288 6.88,289 21.753,290 3.128,291 9.68,292 3.533,293 1.552,294 0.986,295 0.868,296 0.868,297 0.868,298 3.607,300 1,301 1,302 1,303 289,304 2.121,307 118.615,314 1.093,315 17.667,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 39,327 141,328 4.379,329 3.241,330 6.316,331 3.99,332 3.007,333 4.07,334 0.68,335 9.361,336 2.956,337 4.22,338 3.04,339 6.082,340 3.799,341 2.84,342 3.871,344 8.775,345 2.726,346 3.58,347 2.506,348 5.254,349 3.21,350 2.255,351 2.912,353 6.584,354 2.154,355 3.349,356 2.154,357 4.917,358 2.929,359 1.984,360 2.648,362 5.625,363 1.879,364 3.232,365 2.147,366 4.879,367 2.879,368 1.879,369 2.481,371 5.225,372 1.863,373 2.821,374 1.563,375 4.135,376 2.348,377 1.414,378 1.95,380 3.658,381 1.317,382 1.769,383 1.11,384 3.266,385 1.503,386 0.569,387 0.652,389 1.375,390 0.526,391 1.453,392 0.579,393 2.7,394 1.175,395 0.242,396 0.28,398 0.549,399 0.224,400 1,401 -0.11,402 2.653,403 0.653,404 -0.347,405 -0.445,407 -0.898,408 -0.347,409 0.802,410 -0.203,411 2.359,412 0.443,413 -0.509,414 -0.615,415 -1.242,416 -0.464,417 0.677,418 -0.314,419 2.117,420 0.389,421 -0.534,422 -0.627,423 -1.372,424 -0.512,425 0.139,426 -0.75,427 1.488,428 -0.142,429 -1.108,430 -1.328,431 -2.81,432 -1.059,433 -0.043,434 -0.946,435 1.468,436 -0.339,437 -1.277,438 -1.539,439 -3.349,440 -1.182,441 -0.151,442 -1.26,443 1.37,444 -0.477,445 -1.414,446 -1.858,448 -4.04,449 -1.34,450 -0.232,451 -1.357,452 1.218,453 -0.532,454 -1.532,455 -2.036,457 -4.176,458 -1.418,459 8.433,460 0.469,461 0.617,462 0.034,463 24.75,464 1.375,465 13.5,466 0.75,467 11.25,468 0.625,469 12.312,470 0.684,471 19.767,472 0.581,473 16.073,474 0.893,475 4.937,476 0.274,477 3.532,478 0.196,479 0.253,481 0.415,485 1.139,486 1.172,487 0.91,488 0.946,489 1.242,490 0.895,491 0.446,492 0.827,493 0.648,494 0.906,495 0.454,496 0.828,497 0.978,498 1.424,499 1.103,500 1.41,501 0.866,502 1.294,503 1.432,504 0.895,505 1.251,506 1.033,507 1.48,508 1.124,509 0.572,510 1.193,511 1.052,512 1.273,513 0.586,514 1.24,515 0.859,516 0.704,517 0.694,518 0.6,519 0.838,520 0.613,521 0.737,522 1.631,523 0.853,524 1.368,525 0.652,526 1.165,527 1.7,528 0.7,529 1.514,530 0.775,531 1.624,532 1.03,533 5,535 2.444,536 1.563,537 1.178,538 0.347,539 0.507,540 0.264,541 0.14,542 0.051,543 2535,544 7313,545 1.931,546 47.1,547 8,548 2,550 1,551 5,555 1.586,556 1.742,557 2.965,558 2.971,560 1,562 1,564 52.868,565 1.555,566 3.536,567 4.102,568 4.22,569 4.22,570 4.22,571 2.414,572 3.461,573 4.146,574 3.058,575 467.864,576 7.031,577 4394.42,578 1,579 1,581 1,582 172.974,583 1.572,584 4.056,585 0.263,587 0.091,588 0.058,589 0.059,590 0.022,591 0.032,592 0.018,593 0.017,594 0.013,595 0.572,596 0.5,597 1,598 0.745,599 76.026,600 -0.212,601 0.079,602 -0.026,603 0.142,604 -0.284,605 0.098,606 0.279,607 0.304,608 0.25,609 0.178,610 0.208,611 0.198,612 -0.108,613 -0.277,614 -0.214,615 -0.335,616 -0.037,617 -0.293,618 -0.216,619 0.059,620 -0.269,621 -0.055,622 -0.215,623 -0.164,624 0.001,625 -0.248,626 -0.13,627 -0.257,628 -0.016,629 -0.22,630 0.002,631 0.115,632 0.322,633 0.324,634 0.005,635 0.369,636 0.09,637 -0.648,638 0.094,639 -0.378,640 0.152,641 -0.18,642 -0.084,643 0.305,644 -0.436,645 -0.04,646 -0.107,647 -0.239,648 1.491,649 3.722,650 0.667,651 10.889,652 1.001,653 1.138,654 2.261,655 5.111,656 0.648,657 2.996,658 3.332,659 3.526,660 3.689,661 3.85,662 3.807,663 3.738,664 3.738,665 3.761,666 3.555,667 4.67,668 0.617,669 244.33,670 2.996,671 4.533,672 5.361,673 6.229,674 7.072,675 7.94,676 8.789,677 9.656,678 10.507,679 11.374,680 11.8,684 2,690 2,695 3,696 2,700 7,702 12,711 2,715 1,718 34,719 12,720 1,721 19,723 35,724 13,725 10,726 4,727 2,729 2,730 2,734 2,739 1,741 10,742 3,754 1,757 16,758 5,759 5,760 5,764 4,769 1,770 1,776 1,781 2,802 2,806 2,810 18,811 2,815 1,816 1,829 2.9,831 1,836 10.333,837 6.517,838 3.917,839 1.788,840 2.258,841 1.373,842 0.949,843 3.389,844 8.32,845 3.258,846 3.912,847 4.425,848 4.924,849 5.421,850 5.49,851 5.574,852 5.949,853 6.306,854 6.495,855 1,856 27,857 6.584,859 2.715,860 7.898,861 12.337,863 9.74,865 2.398,866 43.167,867 0.001,870 129.482,871 65.154,872 99.365,874 42.683,877 65.154,878 172.165,879 99.365,880 17.65,881 2.535,882 84.747,883 88.026,884 21.79,885 4.227,886 117.711,888 129.482,889 164.52,890 42.683,893 129.482,894 42.683,897 31.131,898 99.817,899 33.571,901 129.482,902 142.049,903 65.154,906 129.482,907 19.504,908 45.65,910 142.049,911 129.482,912 142.049,913 65.154,915 0.597,916 0.343,917 0.164,918 0.085,919 13,920 7,921 0.057,922 2,924 1,925 2.938,926 123.961,928 12,929 69.059,933 12.647,934 4.823,935 2.732,937 142.049,938 5.492,939 7.863,943 4.483,945 108.478,946 336.685,947 25,956 34.036,957 38.694,958 0.306,959 0.695,960 0.806,961 0.829,962 0.829,963 0.829,964 4.489,965 0.242,966 5.38,967 1.375,968 4.007,969 4.595,970 0.655,971 6.172,972 3.938,973 5.735,974 -0.347,975 6.946,976 0.549,977 3.761,978 4.559,980 7.013,981 3.664,982 7.06,983 -0.509,984 8.604,985 -0.898,986 5.602,987 6.827,988 0.356,989 10.059,990 5.479,991 8.415,992 -0.534,993 10.309,994 -1.242,995 6.066,996 7.487,998 11.618,999 5.914,1000 9.793,1001 -1.108,1002 12.044,1003 -1.372,1004 7.455,1005 9.305,1006 0.18,1007 14.209,1008 7.284,1009 11.187,1010 -1.277,1011 13.797,1012 -2.81,1013 8.245,1014 10.3,1016 16.095,1017 8.047,1018 12.594,1019 -1.414,1020 15.565,1021 -3.349,1022 9.456,1023 11.917,1024 0.087,1025 18.497,1026 9.24,1027 3.007,1028 -1.532,1029 17.345,1030 -4.04,1031 10.4,1032 13.09,1034 20.545,1035 10.161,1036 2.84,1037 9.361,1038 19.133,1039 -4.176,1040 11.537,1041 14.604,1042 0.041,1043 22.856,1044 11.279,1045 2.255,1046 8.775,1047 20.929,1048 4.07,1049 12.554,1050 15.873,1052 24.986,1053 12.275,1054 1.984,1055 6.584,1056 22.73,1057 3.871,1058 13.659,1059 17.332,1060 0.019,1061 27.253,1062 13.362,1063 1.879,1064 5.625,1065 24.537,1066 2.912,1067 14.712,1068 18.654,1070 29.426,1071 14.395,1072 1.414,1073 5.225,1074 26.348,1075 2.648,1076 15.805,1077 20.081,1078 0.009,1079 31.67,1080 15.469,1081 0.569,1082 3.658,1083 28.163,1084 2.481,1085 16.874,1086 21.433,1088 33.865,1089 16.52,1090 2630,1091 4541,1092 11.849,1093 22.046,1094 28.554,1095 28.993,1096 29.911,1097 28.338,1098 28.379,1099 37.73,1100 1.36,1101 82.302,1102 27.29,1103 5.142,1104 5.241,1105 5.62,1106 5.059,1107 5.007,1108 7.07,1109 1.36,1110 16.195,1111 4.956,1112 11.125,1113 1.503,1114 1.526,1115 1.574,1116 1.491,1117 1.494,1118 1.986,1119 0.072,1120 4.332,1121 1.436,1122 3.999,1123 4.029,1124 3.947,1125 3.93,1126 6.468,1127 3.929,1128 3.82,1129 3.868,1130 3.78,1131 3.665,1132 5.29,1133 3.688,1134 3.271,1135 3.35,1136 3.154,1137 3.125,1138 4.979,1139 3.101,1140 3.266,1141 3.346,1142 3.067,1143 3.089,1144 4.615,1145 3.096,1146 3.04,1147 3.163,1148 2.89,1149 2.744,1150 4.431,1151 2.765,1152 2.88,1153 2.993,1154 2.719,1155 2.585,1156 3.966,1157 2.609,1158 2.76,1159 2.833,1160 2.499,1161 2.427,1162 3.806,1163 2.426,1164 2.524,1165 2.627,1166 2.251,1167 2.229,1168 3.737,1169 2.191,1170 0.23,1171 0.171,1172 0.332,1173 0.21,1174 0.158,1175 4.379,1176 0.214,1177 3.241,1178 0.036,1179 6.316,1180 0.493,1181 3.99,1182 0.156,1183 3.007,1184 4.07,1185 0.68,1186 9.361,1187 2.956,1188 1.967,1189 1.944,1190 2.072,1191 2.061,1192 1.258,1193 2.063,1194 1.75,1195 1.705,1196 1.847,1197 1.934,1198 0.952,1199 1.912,1200 1.303,1201 1.226,1202 1.639,1203 1.507,1204 0.719,1205 1.557,1206 1.238,1207 1.169,1208 1.498,1209 1.476,1210 0.517,1211 1.489,1212 0.957,1213 0.851,1214 1.275,1215 1.336,1216 0.242,1217 1.332,1218 0.829,1219 0.71,1220 1.188,1221 1.168,1223 1.19,1224 0.676,1225 0.592,1226 1.041,1227 1.064,1229 1.049,1230 0.477,1231 0.374,1232 0.879,1233 0.859,1235 0.868,1236 3.664,1238 4.99,1240 6.506,1242 8.109,1244 9.753,1246 3.739,1250 11.248,1251 9.722,1252 0.619,1262 20.961,1263 52.868,1264 120.219,1265 139.464,1266 143.464,1267 143.464,1268 143.464,1269 28.647,1270 6.061,1271 98.05,1272 98.05,1273 12,1274 11.922,1275 3.7,1276 2.807,1277 31.02,1278 51,1279 46,1280 0.314,1281 134.293,1282 223.89,1283 319.435,1284 2659,1286 13.284,1287 0.738,1288 0.58,1289 13.284,1290 10.435,1291 8.469,1292 0.446,1293 0.296,1294 5.565,1295 8.199,1296 5.319,1297 4.491,1298 8.469,1299 5.63,1300 8.042,1301 0.298,1302 0.163,1303 8.042,1304 4.394,1305 6.451,1306 0.195,1307 0.087,1308 6.451,1309 2.862,1310 4.837,1311 0.124,1312 0.05,1313 4.837,1314 1.938,1315 3.529,1316 0.077,1317 0.024,1318 3.529,1319 1.124,1320 0.479,1321 52.832,1322 0.291,1323 17.926,1324 0.892,1325 92,1326 256.064,1327 100.154,1328 258.182,1329 350.61,1330 238,1331 106,1332 261.002,1333 113.654,1334 270.222,1335 386.69,1336 251,1337 4.149}
{0 CHEMBL418214,1 1.734,2 14.853,3 0.936,4 0.876,5 122.439,6 8.078,7 0.432,8 4.19,9 4.303,10 3.791,11 3.639,12 5.435,13 3.669,14 4.707,15 4.86,16 4.19,17 4.049,18 6.046,19 4.05,20 4.988,21 5.168,22 4.238,23 4.204,24 6.166,25 4.179,26 5.104,27 5.309,28 4.223,29 4.207,30 6.294,31 4.166,32 5.066,33 5.276,34 4.132,35 4.13,36 6.374,37 4.092,38 4.959,39 5.168,40 4.054,41 4.078,42 6.345,43 4.014,44 4.879,45 5.104,46 3.894,47 3.943,48 6.186,49 3.879,50 4.701,51 4.934,52 3.738,53 3.807,54 5.817,55 3.745,56 0.253,57 0.888,58 10.832,59 4.651,60 36.916,61 5.686,62 0.664,63 1.386,64 20.423,65 8.172,66 91.289,67 10.62,68 0.873,69 1.659,70 29.909,71 10.284,72 109.436,73 13.71,74 1.085,75 1.713,76 36.348,77 11.59,78 147.009,79 15.832,80 1.325,81 1.591,82 36.347,83 10.339,84 184.444,85 14.083,86 1.053,87 1.466,88 31.395,89 10.604,90 168.596,91 14.643,92 1.05,93 1.286,94 30.91,95 9.489,96 149.681,97 13.062,98 0.644,99 1.123,100 25.387,101 7.947,102 83.632,103 11.275,104 59,105 53,106 0.281,107 0.68,108 0.821,109 0.877,110 0.882,111 0.882,112 3.56,113 0.86,114 -2.99,115 -2.99,116 -2.88,119 37.9,121 3,125 3,127 1,139 4,140 4,144 1,147 1,149 1,153 3,155 1,157 2,158 2,159 2,161 2,165 2,166 9,167 1,169 2,170 8,172 3,173 6,175 4,176 1,178 7,179 2,180 1,181 1,182 10,185 1,186 1,187 6,189 3,190 1,191 1,192 1,193 9,194 1,195 3,196 3,197 1,198 5,199 1,200 2,201 2,202 1,203 1,204 2,205 1,206 2,207 5,208 2,210 2,211 1,212 3,213 2,215 6,216 2,218 1,220 2,221 4,222 1,223 1,224 3,225 1,226 3,229 9,230 3,231 1,233 2,234 6,236 1,237 3,239 3,241 8,242 3,246 7,251 4,254 4,255 2,256 1,260 8,261 1,265 6,268 1,269 1,270 3,273 2096,274 22.325,275 22.325,276 22.325,277 22.325,278 22.325,279 19.893,280 28.661,281 12.946,282 22.642,283 18.26,284 18.26,285 18.26,286 18.26,287 18.26,288 14.44,289 35.256,290 6.187,291 18.772,292 4.124,293 1.663,294 0.793,295 0.448,296 0.414,297 0.414,298 4.251,301 1,303 1079,304 4.528,306 70.387,307 303.925,310 271.496,314 2.4,315 55.402,318 0.5,319 0.5,320 0.67,321 0.6,322 0.5,323 0.5,324 0.5,325 0.54,326 77,327 505,328 4.714,329 3.777,330 6.926,331 4.271,332 3.289,333 4.684,334 2.375,335 11.679,336 3.234,337 4.21,338 3.592,339 6.116,340 3.89,341 2.896,342 3.773,343 2.341,344 8.893,345 2.875,346 3.933,347 3.521,348 5.859,349 3.68,350 2.711,351 3.361,352 1.061,353 8.207,354 2.635,355 3.879,356 3.427,357 5.828,358 3.575,359 2.604,360 3.147,361 0.995,362 7.9,363 2.508,364 3.711,365 3,366 5.494,367 3.374,368 2.401,369 2.965,370 0.359,371 7.276,372 2.338,373 3.524,374 2.671,375 5.167,376 3.178,377 2.174,378 2.823,379 0.14,380 6.19,381 2.155,382 3.452,383 2.36,384 5.028,385 3.049,386 2.105,387 2.686,389 5.911,390 1.972,391 3.357,392 2.166,393 4.891,394 2.964,395 2.013,396 2.598,398 5.354,399 1.912,400 3.063,401 2.134,402 4.645,403 2.702,404 1.745,405 2.159,407 5.119,408 1.662,409 2.825,410 1.944,411 4.402,412 2.427,413 1.452,414 1.858,415 4.035,416 1.41,417 2.666,418 1.835,419 4.191,420 2.416,421 1.424,422 1.702,423 3.716,424 1.397,425 2.5,426 1.758,427 3.62,428 2.131,429 1.114,430 1.5,431 2.607,432 1.116,433 2.475,434 1.104,435 3.414,436 2,437 1,438 1.36,439 2.275,440 1,441 1.784,442 1,443 3.386,444 1.551,445 0.579,446 0.677,448 1.518,449 0.561,450 1.572,451 0.697,452 3.01,453 1.354,454 0.357,455 0.399,457 0.817,458 0.35,459 15.4,460 0.453,461 1.052,462 0.031,463 42.5,464 1.25,465 19.5,466 0.574,467 23,468 0.676,469 29.57,470 0.87,471 38,472 0.655,473 36.967,474 1.087,475 8.618,476 0.253,477 7.589,478 0.223,479 0.16,481 0.416,485 0.906,486 1.327,487 0.77,488 1.047,489 0.785,490 0.885,491 0.523,492 1.058,493 0.736,494 1.052,495 0.385,496 0.964,497 0.942,498 1.185,499 1.019,500 1.121,501 0.873,502 1.098,503 0.973,504 1.111,505 1.02,506 1.118,507 0.95,508 1.099,509 1.132,510 0.887,511 1.133,512 0.909,513 0.999,514 0.999,515 0.666,516 1.013,517 0.972,518 1.158,519 0.682,520 1.151,521 0.914,522 0.811,523 1.01,524 0.938,525 0.902,526 0.995,527 0.876,528 0.981,529 0.925,530 0.994,531 0.81,532 0.973,533 8.5,534 0.233,535 3.778,536 2.979,537 2.075,538 1.362,539 0.687,540 0.58,541 0.366,542 0.247,543 18347,544 63298,545 2.025,546 41.4,548 11,551 7,552 2,553 4,555 1.754,556 1.855,557 3.816,558 4.052,560 1,564 100.597,565 1.734,566 4.195,567 5.065,568 5.41,569 5.444,570 5.444,571 3.282,572 4.793,573 5.059,574 4.039,575 2266.07,576 8.836,577 36597.5,582 339.763,583 1.527,584 4.996,585 0.23,586 0.008,587 0.071,588 0.055,589 0.041,590 0.03,591 0.016,592 0.016,593 0.011,594 0.008,595 0.487,596 0.17,597 0.75,598 1.608,599 186.187,600 -0.171,601 -0.055,602 -0.011,603 0.064,604 -0.126,605 0.078,606 0.21,607 0.123,608 0.094,609 0.019,610 0.223,611 0.021,612 -0.092,613 -0.115,614 -0.116,615 -0.085,616 -0.093,617 -0.106,618 -0.055,619 -0.131,620 -0.053,621 -0.11,622 -0.076,623 -0.094,624 -0.098,625 0.08,626 -0.133,627 0.055,628 -0.032,629 -0.027,630 0.176,631 -0.038,632 -0.013,633 -0.127,634 0.208,635 -0.119,636 0.032,637 0.111,638 -0.001,639 0.06,640 0.058,641 0.028,642 -0.074,643 -0.036,644 0.06,645 0.022,646 -0.037,647 0.074,648 2.948,649 5.405,650 0.559,651 42.408,652 1.026,653 1.138,654 1.758,655 3.089,656 0.649,657 3.638,658 3.989,659 4.234,660 4.522,661 4.762,662 4.89,663 5.017,664 5.182,665 5.247,666 5.338,667 8.733,668 0.641,669 468.52,670 3.638,671 5.198,672 6.047,673 6.938,674 7.81,675 8.707,676 9.59,677 10.491,678 11.381,679 12.286,680 10.3,683 1,684 2,687 1,690 2,694 2,695 4,696 2,698 1,700 6,702 16,707 1,711 2,718 58,719 19,720 1,721 37,723 61,724 22,725 12,726 2,727 4,728 1,729 4,730 7,736 1,739 4,741 15,742 7,744 3,748 3,751 3,754 1,756 1,757 24,758 12,759 7,760 12,764 6,769 0.5,770 6,776 1,780 1,781 3,784 2,792 2,799 1,800 2,802 2,810 34,811 2,815 2,816 6,817 1,820 1,821 1,829 10.3,831 2,832 3,834 1,836 18.333,837 10,838 7.333,839 3.239,840 3.333,841 1.402,842 0.951,843 7.022,844 11.628,845 3.892,846 4.497,847 5.035,848 5.633,849 6.152,850 6.487,851 6.823,852 7.173,853 7.317,854 7.544,855 0.9,856 54,857 12.643,859 5.604,860 8.196,861 23.093,863 19.104,865 2.696,866 91.667,870 200.109,871 84.563,872 120.5,874 170.309,877 84.563,878 370.418,879 120.5,881 31.931,882 103.699,883 205.304,884 24.761,885 9.676,886 200.109,888 200.109,889 205.064,890 170.309,893 153.024,894 217.393,897 41.362,898 130.13,899 33.571,901 200.109,902 290.809,903 84.563,906 200.109,907 46.658,908 41.029,909 18.011,910 269.674,911 200.109,912 290.809,913 84.563,915 0.591,916 0.33,917 0.175,918 0.1,919 25,920 13,921 0.131,922 8,923 2,924 1.211,925 4.475,926 309.992,927 0.211,928 19,929 168.974,933 23.946,934 9.97,935 5.493,936 1.095,937 290.809,938 6.799,939 8.142,941 5.871,943 3.378,945 169.172,946 575.481,947 48,951 34.391,954 -2.984,956 59.527,957 65.983,958 0.296,959 0.716,960 0.865,961 0.923,962 0.929,963 0.929,964 5.153,965 2.013,966 6.057,967 5.911,968 4.673,969 5.185,970 3.134,971 6.878,972 4.621,973 6.373,974 1.745,975 7.626,976 5.354,977 4.369,978 5.139,979 2.903,980 7.794,981 4.296,982 7.692,983 1.452,984 9.29,985 5.119,986 6.282,987 7.388,988 4.394,989 10.889,990 6.186,991 9.041,992 1.424,993 11.009,994 4.035,995 6.735,996 8.144,997 4.833,998 12.644,999 6.628,1000 10.42,1001 1.114,1002 12.764,1003 3.716,1004 8.17,1005 9.942,1006 5.949,1007 15.288,1008 8.041,1009 11.822,1010 1,1011 14.545,1012 2.607,1013 8.981,1014 11.096,1015 6.632,1016 17.435,1017 8.846,1018 13.244,1019 0.579,1020 16.348,1021 2.275,1022 10.232,1023 12.726,1024 7.604,1025 19.933,1026 10.077,1027 3.289,1028 0.357,1029 18.169,1030 1.518,1031 11.222,1032 14.082,1033 8.385,1034 22.257,1035 11.06,1036 2.896,1037 11.679,1038 20.004,1039 0.817,1040 12.403,1041 15.647,1042 9.295,1043 24.714,1044 12.224,1045 2.711,1046 8.893,1047 21.853,1048 4.684,1049 13.483,1050 17.102,1051 10.118,1052 27.113,1053 13.293,1054 2.604,1055 8.207,1056 23.712,1057 3.773,1058 14.644,1059 18.646,1060 11,1061 29.563,1062 14.438,1063 2.401,1064 7.9,1065 25.582,1066 3.361,1067 15.768,1068 20.146,1069 11.843,1070 31.995,1071 15.549,1072 2.174,1073 7.276,1074 27.461,1075 3.147,1076 16.928,1077 21.685,1078 12.712,1079 34.445,1080 16.693,1081 2.105,1082 6.19,1083 29.347,1084 2.965,1085 18.076,1086 23.207,1087 13.563,1088 36.891,1089 17.827,1090 17695,1091 32960,1092 23.986,1093 37.614,1094 56.42,1095 58.096,1096 58.01,1097 55.963,1098 55.826,1099 71.497,1100 14.541,1101 163.265,1102 54.345,1103 5.659,1104 5.777,1105 6.341,1106 5.343,1107 5.289,1108 7.684,1109 3.989,1110 18.831,1111 5.234,1112 21.554,1113 1.525,1114 1.57,1115 1.568,1116 1.513,1117 1.509,1118 1.932,1119 0.393,1120 4.413,1121 1.469,1122 4.127,1123 4.15,1124 4.104,1125 3.987,1126 7.477,1127 4.011,1128 3.951,1129 3.977,1130 3.898,1131 3.873,1132 7.471,1133 3.875,1134 3.765,1135 3.804,1136 3.677,1137 3.59,1138 7.428,1139 3.602,1140 3.639,1141 3.706,1142 3.558,1143 3.438,1144 6.352,1145 3.459,1146 3.462,1147 3.477,1148 3.4,1149 3.205,1150 6.35,1151 3.243,1152 3.307,1153 3.343,1154 3.252,1155 3.075,1156 5.355,1157 3.111,1158 3.189,1159 3.233,1160 3.099,1161 2.943,1162 4.983,1163 2.961,1164 3.115,1165 3.208,1166 2.998,1167 2.846,1168 4.927,1169 2.874,1170 0.127,1171 0.102,1172 0.187,1173 0.115,1174 0.089,1175 4.714,1176 0.127,1177 3.777,1178 0.064,1179 6.926,1180 0.316,1181 4.271,1182 0.087,1183 3.289,1184 4.684,1185 2.375,1186 11.679,1187 3.234,1188 1.944,1189 1.917,1190 2.058,1191 2.056,1192 1.321,1193 2.058,1194 1.854,1195 1.822,1196 1.957,1197 2,1198 1.222,1199 1.978,1200 1.71,1201 1.668,1202 1.897,1203 1.935,1204 1.136,1205 1.911,1206 1.669,1207 1.629,1208 1.77,1209 1.872,1210 0.845,1211 1.865,1212 1.334,1213 1.309,1214 1.504,1215 1.623,1216 0.694,1217 1.577,1218 1.202,1219 1.177,1220 1.43,1221 1.456,1222 0.629,1223 1.433,1224 1.115,1225 1.053,1226 1.376,1227 1.396,1228 0.551,1229 1.389,1230 1.011,1231 0.941,1232 1.27,1233 1.368,1234 0.222,1235 1.344,1236 4.317,1238 5.659,1239 2.398,1240 7.179,1241 4.844,1242 8.785,1243 7.066,1244 10.442,1250 11.663,1251 17.954,1252 2.086,1253 2.366,1256 -1.274,1257 2.18,1262 37.158,1263 100.597,1264 243.293,1265 293.763,1266 313.763,1267 315.763,1268 315.763,1269 86.449,1270 8.295,1271 197.9,1272 197.9,1273 23,1274 12.808,1275 4.322,1276 3.585,1277 57.399,1278 182,1279 162,1280 0.154,1281 227.698,1282 399.36,1283 547.342,1284 51509,1286 24.405,1287 0.718,1288 0.534,1289 24.405,1290 18.153,1291 16.206,1292 0.438,1293 0.287,1294 10.411,1295 15.375,1296 10.266,1297 8.409,1298 16.206,1299 10.609,1300 15.435,1301 0.291,1302 0.153,1303 15.435,1304 8.105,1305 12.025,1306 0.177,1307 0.084,1308 12.025,1309 5.697,1310 10.222,1311 0.112,1312 0.044,1313 10.222,1314 4.015,1315 8.243,1316 0.071,1317 0.024,1318 8.243,1319 2.785,1320 0.251,1321 103.356,1322 0.204,1323 32.067,1324 0.397,1325 180,1326 627.134,1327 205.907,1328 594.334,1329 784.84,1330 548,1331 211,1332 561.651,1333 234.448,1334 560.625,1335 820.04,1336 526,1337 4.067}
{0 CHEMBL418347,1 1.685,2 10.615,3 1.569,4 2.462,5 97.048,6 7.551,7 0.444,8 3.974,9 4.088,10 3.514,11 3.367,12 5.208,13 3.392,14 4.465,15 4.631,16 3.824,17 3.695,18 5.721,19 3.698,20 4.623,21 4.785,22 3.903,23 3.833,24 5.794,25 3.822,26 4.736,27 4.926,28 3.883,29 3.878,30 5.875,31 3.84,32 4.807,33 5,34 3.809,35 3.891,36 5.924,37 3.836,38 4.752,39 4.963,40 3.741,41 3.878,42 5.74,43 3.8,44 4.814,45 5.065,46 3.813,47 3.835,48 5.851,49 3.755,50 4.718,51 4.937,52 3.756,53 3.736,54 5.897,55 3.677,56 0.17,57 0.666,58 10.072,59 3.932,60 20.341,61 5.146,62 0.564,63 0.947,64 18.991,65 6.53,66 63.069,67 8.519,68 0.668,69 1.099,70 22.073,71 7.15,72 58.77,73 9.788,74 0.67,75 1.165,76 25.4,77 8.171,78 68.454,79 11.315,80 0.987,81 1.17,82 28.777,83 8.45,84 86.757,85 11.65,86 0.591,87 1.169,88 26.24,89 8.403,90 52.561,91 12.075,92 0.791,93 1.12,94 29.943,95 9.032,96 67.026,97 13.561,98 0.846,99 1.036,100 26.574,101 7.627,102 76.987,103 11.325,104 50,105 36,106 0.29,107 0.655,108 0.813,109 0.841,110 0.856,111 0.885,112 3.304,113 0.878,114 -2.48,115 -2.51,116 -2.46,119 35.4,121 3,124 2,125 1,139 2,140 2,141 3,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 5,167 1,169 1,170 6,172 3,173 4,175 2,178 4,179 1,180 1,181 2,182 8,187 2,189 2,191 1,192 1,193 7,194 1,195 1,196 1,197 1,198 2,200 2,201 1,204 2,205 1,206 1,207 8,210 1,212 3,215 2,218 3,221 3,226 1,229 3,230 1,231 1,233 4,234 2,235 1,236 2,237 2,239 3,241 3,242 1,243 2,245 3,246 1,247 1,248 1,249 2,251 1,254 1,255 2,259 1,260 4,262 2,263 3,265 3,269 1,270 1,273 1068,274 17.24,275 17.24,276 17.24,277 17.24,278 17.24,279 15.479,280 26.141,281 10.27,282 17.894,283 13.197,284 13.197,285 13.197,286 13.197,287 13.197,288 10.422,289 34.515,290 4.717,291 14.058,292 3.9,293 1.783,294 0.865,295 0.698,296 0.615,297 0.448,298 3.966,300 1,301 1,302 1,303 557,304 3.674,307 189.448,314 1.692,315 35.119,317 1,318 1,319 0.83,320 0.83,321 1,322 1,323 0.83,324 0.5,325 0.86,326 59,327 276,328 4.431,329 3.596,330 6.528,331 4.026,332 3.076,333 4.114,334 2.341,335 10.289,336 2.927,337 4.228,338 3.392,339 6.088,340 3.81,341 2.856,342 3.875,343 0.86,344 8.842,345 2.72,346 3.6,347 3.078,348 5.281,349 3.243,350 2.28,351 2.934,352 0.86,353 6.715,354 2.216,355 3.551,356 2.607,357 5.209,358 3.227,359 2.239,360 2.712,361 0.86,362 6.232,363 2.164,364 3.37,365 2.537,366 4.921,367 2.997,368 2.083,369 2.663,370 0.68,371 5.65,372 1.887,373 3.362,374 2.184,375 4.658,376 2.939,377 1.999,378 2.614,380 5.177,381 1.868,382 2.823,383 2.04,384 4.148,385 2.365,386 1.439,387 1.952,389 3.674,390 1.325,391 2.521,392 1.613,393 3.858,394 2.347,395 1.409,396 1.508,398 3.066,399 1.315,400 2.125,401 1.504,402 3.398,403 1.902,404 1.033,405 1.095,407 2.185,408 0.886,409 1.614,410 1.026,411 2.995,412 1.333,413 0.416,414 0.475,415 0.91,416 0.375,417 1.551,418 0.954,419 2.836,420 1.283,421 0.369,422 0.415,423 0.717,424 0.333,425 1.412,426 0.626,427 2.544,428 1.154,429 0.272,430 0.303,431 0.421,432 0.239,433 0.972,434 0.448,435 2.365,436 0.649,437 -0.278,438 -0.326,439 -0.542,440 -0.254,441 0.806,442 0.19,443 2.359,444 0.479,445 -0.482,446 -0.56,448 -1.227,449 -0.454,450 0.789,451 -0.138,452 2.304,453 0.392,454 -0.515,455 -0.621,457 -1.243,458 -0.467,459 11.767,460 0.453,461 0.647,462 0.025,463 33,464 1.269,465 16,466 0.615,467 17,468 0.654,469 20.572,470 0.791,471 30.233,472 0.63,473 26.308,474 1.012,475 6.887,476 0.265,477 5.552,478 0.214,479 0.21,481 0.34,485 0.975,486 1.415,487 0.827,488 1.245,489 0.927,490 1.019,491 0.989,492 0.893,493 0.809,494 0.935,495 0.54,496 0.854,497 1.049,498 1.2,499 1.006,500 1.118,501 1.017,502 1.06,503 0.99,504 1.085,505 1.039,506 1.177,507 0.873,508 1.128,509 1.289,510 0.976,511 1.212,512 0.987,513 0.904,514 1.079,515 0.961,516 1.173,517 1.101,518 1.211,519 0.624,520 1.197,521 0.614,522 0.929,523 0.711,524 0.979,525 0.431,526 0.903,527 0.83,528 1.132,529 0.925,530 1.117,531 0.82,532 1.07,533 6,534 0.099,535 2.667,536 1.938,537 1.618,538 0.674,539 0.69,540 0.464,541 0.391,542 0.234,543 7087,544 24912,545 1.931,546 45.8,547 2,548 10,550 1,551 5,552 2,553 2,555 1.695,556 1.773,557 3.358,558 2.634,559 1,560 1,564 80.874,565 1.685,566 3.802,567 4.72,568 4.887,569 4.97,570 5.137,571 2.888,572 4.21,573 4.665,574 3.541,575 1150.82,576 8.111,577 14664.4,579 1,581 1,582 268.078,583 1.526,584 4.606,585 0.222,586 0.007,587 0.074,588 0.051,589 0.045,590 0.02,591 0.022,592 0.014,593 0.013,594 0.01,595 0.479,596 0.17,597 1,598 1.752,599 127.682,600 -0.146,601 -0.107,602 0.007,603 -0.062,604 -0.16,605 0.013,606 0.02,607 0.213,608 0.122,609 0.145,610 0.193,611 0.149,612 -0.048,613 -0.084,614 -0.084,615 -0.038,616 -0.14,617 -0.062,618 -0.058,619 -0.018,620 -0.106,621 -0.129,622 -0.084,623 -0.127,624 -0.168,625 0.006,626 -0.234,627 0.032,628 -0.111,629 -0.1,630 -0.139,631 -0.141,632 -0.175,633 -0.159,634 -0.084,635 -0.173,636 0.212,637 -0.024,638 0.265,639 0.027,640 0.198,641 0.131,642 0.15,643 -0.183,644 0.055,645 -0.119,646 0.09,647 -0.074,648 2.536,649 3.615,650 0.462,651 26.083,652 1.021,653 1.141,654 1.255,655 1.575,656 0.628,657 3.332,658 3.611,659 3.807,660 4.025,661 4.205,662 4.22,663 4.304,664 4.382,665 4.443,666 4.357,667 6.366,668 0.613,669 362.43,670 3.332,671 4.844,672 5.659,673 6.518,674 7.357,675 8.222,676 9.073,677 9.942,678 10.8,679 11.671,680 8.3,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 3,718 48,719 13,720 1,721 27,723 49,724 17,725 10,726 4,727 2,729 2,730 2,739 3,741 11,742 6,744 1,748 1,751 1,753 1,754 1,757 22,758 9,759 5,760 9,764 4,769 1,770 5,776 1,781 2,792 1,800 1,802 2,806 2,810 26,811 2,815 1,816 4,818 3,829 10.4,831 1,832 1,834 3,836 14.667,837 8.933,838 6,839 2.496,840 2.292,841 1.339,842 0.909,843 7.295,844 9.051,845 3.555,846 4.111,847 4.59,848 5.106,849 5.603,850 5.74,851 5.971,852 6.316,853 6.66,854 6.897,855 1,856 38,857 9.534,859 3.869,860 8.071,861 17.543,863 13.337,865 2.571,866 66.833,870 200.109,871 89.2,872 99.365,874 100.828,877 89.2,878 300.937,879 99.365,880 21.766,881 12.196,882 84.747,883 114.08,884 64.149,885 4.227,886 188.338,888 200.109,889 188.566,890 100.828,893 176.567,894 124.37,897 23.142,898 131.852,899 33.571,901 200.109,902 200.193,903 89.2,906 200.109,907 39.434,908 49.766,910 200.193,911 200.109,912 200.193,913 89.2,915 0.566,916 0.322,917 0.172,918 0.092,919 14,920 8,921 0.184,922 9,924 1,925 3.68,926 202.203,928 12,929 122.211,933 20.07,934 9.451,935 5.633,937 200.193,938 5.165,939 7.903,943 3.361,945 108.478,946 489.502,947 34,951 10.615,954 -0.87,956 48.996,957 54.777,958 0.302,959 0.681,960 0.845,961 0.875,962 0.89,963 0.92,964 4.771,965 1.409,966 5.638,967 3.674,968 4.29,969 4.796,970 2.703,971 6.409,972 4.176,973 5.967,974 1.033,975 7.177,976 3.066,977 3.892,978 4.677,979 2.243,980 7.261,981 3.747,982 7.268,983 0.416,984 8.814,985 2.185,986 5.844,987 6.951,988 3.722,989 10.318,990 5.638,991 8.602,992 0.369,993 10.507,994 0.91,995 6.217,996 7.587,997 4.112,998 11.981,999 5.968,1000 9.965,1001 0.272,1002 12.238,1003 0.717,1004 7.664,1005 9.393,1006 5.216,1007 14.572,1008 7.372,1009 11.348,1010 -0.278,1011 13.994,1012 0.421,1013 8.411,1014 10.387,1015 5.889,1016 16.594,1017 8.065,1018 12.747,1019 -0.482,1020 15.771,1021 -0.542,1022 9.652,1023 11.994,1024 6.851,1025 19.015,1026 9.267,1027 3.076,1028 -0.515,1029 17.563,1030 -1.227,1031 10.585,1032 13.175,1033 7.625,1034 21.198,1035 10.142,1036 2.856,1037 10.289,1038 19.367,1039 -1.243,1040 11.74,1041 14.685,1042 8.526,1043 23.555,1044 11.257,1045 2.28,1046 8.842,1047 21.182,1048 4.114,1049 12.764,1050 15.965,1051 9.342,1052 25.81,1053 12.224,1054 2.239,1055 6.715,1056 23.005,1057 3.875,1058 13.886,1059 17.423,1060 10.216,1061 28.143,1062 13.303,1063 2.083,1064 6.232,1065 24.835,1066 2.934,1067 14.953,1068 18.757,1069 11.051,1070 30.433,1071 14.315,1072 1.999,1073 5.65,1074 26.671,1075 2.712,1076 16.063,1077 20.189,1078 11.912,1079 32.757,1080 15.38,1081 1.439,1082 5.177,1083 28.512,1084 2.663,1085 17.151,1086 21.553,1087 12.755,1088 35.063,1089 16.415,1090 7321,1091 13817,1092 17.107,1093 30.148,1094 38.952,1095 40.367,1096 41.171,1097 38.853,1098 38.945,1099 49.323,1100 11.202,1101 107.756,1102 36.516,1103 5.324,1104 5.596,1105 6.211,1106 5.095,1107 5.076,1108 7.114,1109 3.925,1110 17.223,1111 4.927,1112 16.429,1113 1.443,1114 1.495,1115 1.525,1116 1.439,1117 1.442,1118 1.827,1119 0.415,1120 3.991,1121 1.352,1122 3.993,1123 4.018,1124 3.951,1125 3.895,1126 7.474,1127 3.904,1128 3.816,1129 3.856,1130 3.783,1131 3.648,1132 6.351,1133 3.675,1134 3.678,1135 3.716,1136 3.565,1137 3.504,1138 5.291,1139 3.507,1140 3.318,1141 3.377,1142 3.2,1143 3.08,1144 4.982,1145 3.103,1146 3.291,1147 3.326,1148 3.175,1149 2.99,1150 4.957,1151 3.025,1152 3.219,1153 3.272,1154 3.022,1155 2.908,1156 4.551,1157 2.922,1158 3.105,1159 3.206,1160 2.951,1161 2.836,1162 4.47,1163 2.848,1164 2.964,1165 3.078,1166 2.794,1167 2.645,1168 4.436,1169 2.67,1170 0.164,1171 0.133,1172 0.242,1173 0.149,1174 0.114,1175 4.431,1176 0.152,1177 3.596,1178 0.087,1179 6.528,1180 0.381,1181 4.026,1182 0.108,1183 3.076,1184 4.114,1185 2.341,1186 10.289,1187 2.927,1188 1.929,1189 1.912,1190 2.018,1191 2.051,1192 1.221,1193 2.039,1194 1.733,1195 1.694,1196 1.889,1197 1.933,1198 1.178,1199 1.906,1200 1.636,1201 1.591,1202 1.797,1203 1.838,1204 0.864,1205 1.839,1206 1.248,1207 1.188,1208 1.575,1209 1.54,1210 0.575,1211 1.549,1212 1.195,1213 1.137,1214 1.569,1215 1.528,1216 0.572,1217 1.539,1218 1.125,1219 1.072,1220 1.385,1221 1.459,1222 0.519,1223 1.43,1224 1.04,1225 0.956,1226 1.321,1227 1.374,1228 0.354,1229 1.364,1230 0.879,1231 0.763,1232 1.216,1233 1.247,1234 0.095,1235 1.256,1236 4.007,1238 5.293,1240 6.77,1242 8.345,1244 9.975,1246 3.032,1250 11.404,1251 8.714,1252 1.086,1254 16.423,1262 29.401,1263 80.874,1264 182.511,1265 226.568,1266 234.568,1267 238.568,1268 246.568,1269 61.894,1270 6.759,1271 142.81,1272 142.81,1273 12,1274 12.216,1275 3.807,1276 3,1277 54.763,1278 98,1279 104,1280 0.275,1281 185.72,1282 325.61,1283 444.917,1284 6729,1286 19.104,1287 0.735,1288 0.565,1289 19.104,1290 14.69,1291 12.439,1292 0.461,1293 0.293,1294 7.709,1295 11.65,1296 7.499,1297 6.262,1298 12.439,1299 7.906,1300 10.908,1301 0.303,1302 0.153,1303 10.908,1304 5.491,1305 8.331,1306 0.189,1307 0.082,1308 8.331,1309 3.608,1310 6.813,1311 0.124,1312 0.043,1313 6.813,1314 2.389,1315 5.257,1316 0.08,1317 0.024,1318 5.257,1319 1.561,1320 0.429,1321 80.368,1322 0.242,1323 25.166,1324 0.763,1325 126,1326 475.007,1327 145.778,1328 440.838,1329 580.45,1330 410,1331 143,1332 407.184,1333 161.174,1334 409.186,1335 587.88,1336 379,1337 5.013}
{0 CHEMBL418502,1 1.882,2 8.714,3 3.171,4 10.057,5 84.831,6 10.131,7 0.696,8 3.626,9 3.739,10 3.426,11 3.177,12 4.888,13 3.19,14 4.07,15 4.205,16 3.849,17 3.576,18 5.386,19 3.56,20 4.281,21 4.443,22 3.908,23 3.651,24 5.503,25 3.611,26 4.289,27 4.464,28 3.799,29 3.548,30 5.605,31 3.488,32 4.258,33 4.478,34 3.627,35 3.424,36 5.463,37 3.324,38 4.005,39 4.227,40 3.386,41 3.312,42 5.055,43 3.214,44 3.861,45 4.033,46 3.582,47 3.25,48 5.127,49 3.197,50 3.855,51 4.035,52 3.606,53 3.085,54 5.282,55 3.052,56 0.162,57 0.51,58 3.525,59 2.23,60 15.442,61 2.198,62 0.284,63 0.767,64 6.507,65 3.953,66 21.695,67 4.504,68 0.392,69 0.831,70 14.504,71 5.214,72 31.353,73 5.751,74 0.522,75 0.785,76 16.305,77 5.443,78 46.048,79 6.269,80 0.658,81 0.71,82 22.395,83 5.299,84 64.841,85 5.497,86 0.32,87 0.574,88 14.847,89 4.776,90 31.665,91 5.952,92 0.268,93 0.507,94 10.074,95 3.691,96 22.272,97 4.286,98 0.433,99 0.434,100 13.861,101 3.417,102 39.063,103 3.563,104 17,105 33,106 0.349,107 0.761,108 0.853,109 0.892,110 0.904,111 0.904,112 3.103,113 0.889,114 -4.24,115 -4.18,116 -3.95,119 40.6,125 1,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 1,158 1,159 1,166 2,169 1,170 2,172 2,173 4,175 5,178 4,182 2,187 4,189 4,196 2,197 4,198 3,200 2,201 1,204 1,210 2,211 1,212 1,215 4,218 1,226 1,229 4,234 2,238 1,239 3,240 1,241 2,246 4,251 4,260 4,265 3,270 1,273 521,274 13.878,275 13.878,276 13.878,277 13.878,278 13.878,279 11.822,280 16.566,281 8.002,282 14.433,283 11.332,284 11.332,285 11.332,286 11.332,287 11.332,288 8.265,289 22.261,290 3.797,291 12.358,292 3.118,293 0.899,294 0.399,295 0.188,296 0.125,297 0.125,298 3.779,299 2,300 1,301 1,302 1,303 391,304 2.449,306 42.388,307 118.119,310 79.721,314 1.279,315 24.09,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 46.167,327 183,328 4.638,329 3.307,330 6.78,331 4.151,332 3.189,333 4.608,334 0.657,335 11.108,336 3.072,337 4.231,338 3.213,339 6.065,340 3.776,341 2.854,342 3.881,344 8.741,345 2.59,346 3.708,347 2.766,348 5.305,349 3.263,350 2.336,351 3.154,353 6.692,354 2.16,355 3.445,356 2.54,357 5.063,358 2.95,359 2.098,360 2.791,362 5.791,363 1.786,364 3.406,365 2.184,366 4.919,367 2.884,368 1.98,369 2.756,371 5.67,372 1.734,373 3.079,374 2.075,375 4.768,376 2.701,377 1.773,378 2.251,380 5.014,381 1.602,382 2.862,383 1.767,384 4.229,385 2.415,386 1.48,387 1.999,389 3.916,390 1.328,391 2.305,392 0.93,393 3.589,394 1.785,395 0.858,396 1.221,398 2.116,399 0.793,400 1.864,401 0.88,402 3.25,403 1.546,404 0.62,405 0.75,407 1.52,408 0.564,409 1.35,410 0.749,411 2.698,412 0.895,413 0.109,414 0.129,415 0.242,416 0.069,417 1.098,418 0.079,419 2.579,420 0.633,421 -0.253,422 -0.322,423 -0.668,424 -0.219,425 0.867,426 -0.099,427 2.367,428 0.428,429 -0.465,430 -0.58,431 -1.187,432 -0.394,433 0.659,434 -0.236,435 2.237,436 0.262,437 -0.648,438 -0.775,439 -1.692,440 -0.491,441 0.302,442 -0.5,443 2,444 -0.058,445 -1,446 -1.161,448 -2.39,449 -0.674,450 0.178,451 -0.842,452 1.88,453 -0.328,454 -1,455 -1.319,457 -2.718,458 -0.938,459 10.262,460 0.489,461 0.63,462 0.03,463 30,464 1.429,465 15.5,466 0.738,467 14.5,468 0.69,469 14.32,470 0.682,471 22.138,472 0.692,473 19.78,474 0.942,475 5.956,476 0.284,477 4.085,478 0.195,479 0.211,481 0.39,485 1.003,486 1.228,487 0.538,488 0.655,489 1.032,490 0.643,491 0.598,492 0.982,493 0.572,494 0.767,495 0.477,496 0.795,497 1.027,498 1.309,499 0.988,500 1.114,501 0.9,502 1.055,503 0.88,504 1.095,505 1.085,506 1.245,507 0.878,508 1.246,509 1.388,510 0.602,511 1.051,512 0.767,513 1.552,514 1.015,515 0.823,516 0.901,517 0.842,518 0.874,519 0.81,520 0.909,521 0.881,522 1.077,523 0.895,524 0.953,525 0.856,526 0.896,527 1.182,528 0.995,529 1.194,530 1.078,531 1.198,532 0.918,533 5,534 0.054,535 2.667,536 1.91,537 1.303,538 0.427,539 0.362,540 0.313,541 0.224,542 0.124,543 4290,544 16737,545 2.045,546 34.4,548 5,549 1,551 5,555 1.631,556 1.881,557 3.104,558 2.892,560 1,562 1,564 60.231,565 1.882,566 4.101,567 4.601,568 4.813,569 4.875,570 4.875,571 2.529,572 4.107,573 4.369,574 3.242,575 680.721,576 7.475,577 7205.89,578 1,579 1,580 1,581 1,582 160,583 1.51,584 4.305,585 0.217,586 0.011,587 0.081,588 0.06,589 0.048,590 0.022,591 0.019,592 0.015,593 0.012,594 0.011,595 0.497,596 0.17,597 1,598 0.665,599 94.566,600 -0.26,601 -0.037,602 -0.035,603 0.143,604 -0.272,605 0.116,606 0.124,607 0.161,608 0.045,609 0.079,610 0.164,611 0.033,612 -0.158,613 -0.288,614 -0.103,615 -0.187,616 -0.108,617 -0.141,618 0.124,619 -0.114,620 -0.157,621 -0.304,622 0.117,623 -0.313,624 -0.243,625 0.323,626 -0.078,627 0.207,628 -0.314,629 -0.024,630 -0.034,631 -0.015,632 0.08,633 0.154,634 -0.038,635 0.197,636 0.02,637 -0.109,638 0.103,639 0.035,640 0.018,641 0.086,642 0.083,643 -0.084,644 0.076,645 -0.056,646 0.072,647 0.054,648 1.826,649 3.892,650 0.714,651 14.181,652 1.032,653 1.133,654 3.009,655 9.052,656 0.726,657 3.178,658 3.526,659 3.784,660 4.06,661 4.205,662 4.22,663 4.234,664 4.331,665 4.344,666 4.331,667 5.277,668 0.706,669 324.19,670 3.178,671 4.727,672 5.58,673 6.469,674 7.338,675 8.229,676 9.104,677 9.997,678 10.876,679 11.77,680 15.6,684 1,685 1,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 1,712 1,715 1,717 2,718 32,719 16,720 1,721 23,723 34,724 13,725 12,726 3,727 3,729 3,730 4,731 2,741 12,742 1,753 1,754 1,757 11,758 5,759 5,760 8,761 2,764 5,769 0.667,770 1,776 1,777 1,780 1,781 2,784 1,802 2,807 2,810 21,811 1,815 1,816 1,817 1,828 2,829 3.1,831 1,836 11.167,837 5.552,838 4.528,839 1.641,840 3.141,841 1.461,842 1,843 3.904,844 9.96,845 3.466,846 4.155,847 4.776,848 5.396,849 5.866,850 6.109,851 6.367,852 6.732,853 6.838,854 7.045,855 0.833,856 32,857 7.67,859 3.298,860 7.979,861 14.156,863 11.471,865 2.479,866 52.056,870 70.627,871 58.713,872 101.265,873 78.297,874 42.683,877 58.713,878 191.607,879 101.265,881 2.106,882 70.373,883 95.98,884 32.302,885 13.67,886 58.856,887 78.297,888 70.627,889 159.977,890 42.683,891 78.297,893 70.627,894 42.683,897 22.506,898 85.89,899 129.879,901 70.627,902 143.948,903 137.01,906 70.627,907 21.237,908 37.476,909 34.796,910 187.449,911 70.627,912 143.948,913 137.01,915 0.593,916 0.345,917 0.188,918 0.098,919 17,920 8,921 0.088,922 3,923 1,924 1.133,925 3.307,926 161.587,927 0.133,928 15,929 92.239,933 14.407,934 5.69,935 2.912,936 1.004,937 127.162,938 6.878,939 7.769,940 2.942,943 2.489,945 110.377,946 351.585,947 31,956 33.018,957 36.25,958 0.376,959 0.82,960 0.92,961 0.963,962 0.975,963 0.975,964 4.7,965 0.858,966 5.587,967 3.916,968 4.205,969 4.84,970 0.623,971 6.412,972 4.04,973 5.948,974 0.62,975 7.159,976 2.116,977 3.892,978 4.808,980 7.338,981 3.604,982 7.281,983 0.109,984 8.826,985 1.52,986 5.814,987 7.155,988 0.317,989 10.439,990 5.534,991 8.65,992 -0.253,993 10.55,994 0.242,995 6.275,996 7.927,998 12.212,999 5.908,1000 10.049,1001 -0.465,1002 12.311,1003 -0.668,1004 7.711,1005 9.777,1006 0.149,1007 14.849,1008 7.342,1009 11.47,1010 -0.648,1011 14.099,1012 -1.187,1013 8.536,1014 10.938,1016 16.991,1017 8.109,1018 12.909,1019 -1,1020 15.909,1021 -1.692,1022 9.785,1023 12.587,1024 0.067,1025 19.468,1026 9.343,1027 3.189,1028 -1,1029 17.736,1030 -2.39,1031 10.783,1032 13.937,1034 21.765,1035 10.298,1036 2.854,1037 11.108,1038 19.578,1039 -2.718,1040 11.96,1041 15.505,1042 0.03,1043 24.189,1044 11.452,1045 2.336,1046 8.741,1047 21.431,1048 4.608,1049 13.036,1050 16.945,1052 26.548,1053 12.493,1054 2.098,1055 6.692,1056 23.294,1057 3.881,1058 14.188,1059 18.48,1060 0.013,1061 28.956,1062 13.617,1063 1.98,1064 5.791,1065 25.165,1066 3.154,1067 15.301,1068 19.963,1070 31.341,1071 14.698,1072 1.773,1073 5.67,1074 27.042,1075 2.791,1076 16.446,1077 21.487,1078 0.006,1079 33.745,1080 15.814,1081 1.48,1082 5.014,1083 28.925,1084 2.756,1085 17.576,1086 22.99,1088 36.141,1089 16.913,1090 4207,1091 8404,1092 15.027,1093 23.244,1094 34.818,1095 35.725,1096 36.282,1097 34.743,1098 34.594,1099 47.078,1100 1.315,1101 101.621,1102 31.396,1103 5.478,1104 5.307,1105 6.124,1106 5.224,1107 5.189,1108 7.608,1109 1.315,1110 17.998,1111 5.072,1112 11.227,1113 1.514,1114 1.553,1115 1.577,1116 1.511,1117 1.504,1118 2.047,1119 0.057,1120 4.418,1121 1.365,1122 4.107,1123 4.15,1124 4.11,1125 3.97,1126 6.476,1127 3.991,1128 3.9,1129 3.922,1130 4.045,1131 3.843,1132 5.221,1133 3.837,1134 3.449,1135 3.526,1136 3.635,1137 3.212,1138 5.017,1139 3.244,1140 3.205,1141 3.301,1142 3.383,1143 2.952,1144 4.811,1145 2.969,1146 2.998,1147 3.061,1148 3.109,1149 2.846,1150 4.669,1151 2.818,1152 2.904,1153 2.918,1154 2.914,1155 2.687,1156 4.196,1157 2.729,1158 2.757,1159 2.827,1160 2.818,1161 2.583,1162 4.088,1163 2.58,1164 2.481,1165 2.586,1166 2.599,1167 2.182,1168 3.877,1169 2.196,1170 0.202,1171 0.144,1172 0.295,1173 0.18,1174 0.139,1175 4.638,1176 0.2,1177 3.307,1178 0.029,1179 6.78,1180 0.483,1181 4.151,1182 0.134,1183 3.189,1184 4.608,1185 0.657,1186 11.108,1187 3.072,1188 1.888,1189 1.867,1190 1.949,1191 2.008,1192 1.117,1193 1.989,1194 1.801,1195 1.773,1196 1.838,1197 1.954,1198 0.999,1199 1.935,1200 1.549,1201 1.485,1202 1.7,1203 1.75,1204 0.721,1205 1.748,1206 1.115,1207 1.026,1208 1.353,1209 1.448,1210 0.373,1211 1.43,1212 0.969,1213 0.886,1214 1.219,1215 1.293,1216 0.167,1217 1.277,1218 0.85,1219 0.827,1220 1.08,1221 1.028,1222 0.011,1223 1.043,1224 0.715,1225 0.661,1226 0.853,1227 0.949,1229 0.948,1230 0.495,1231 0.435,1232 0.76,1233 0.802,1235 0.819,1236 3.85,1238 5.187,1239 2.398,1240 6.711,1241 4.727,1242 8.326,1243 6.843,1244 9.991,1247 12.024,1250 5.486,1251 9.892,1252 0.418,1253 3.156,1262 22.584,1263 60.231,1264 131.245,1265 147.245,1266 154,1267 156,1268 156,1269 31.581,1270 6.819,1271 99.85,1272 99.85,1273 17,1274 12.299,1275 4.087,1276 3.17,1277 32.244,1278 67,1279 57,1280 0.241,1281 147.432,1282 239.41,1283 351.495,1284 7672,1285 6.3,1286 14.983,1287 0.713,1288 0.581,1289 15.983,1290 12.203,1291 10.042,1292 0.437,1293 0.296,1294 6.024,1295 9.081,1296 5.865,1297 4.82,1298 10.619,1299 6.813,1300 9.462,1301 0.287,1302 0.16,1303 10.241,1304 5.264,1305 7.666,1306 0.178,1307 0.083,1308 8.308,1309 3.574,1310 6.624,1311 0.116,1312 0.042,1313 7.094,1314 2.413,1315 4.983,1316 0.075,1317 0.025,1318 5.671,1319 1.625,1320 0.374,1321 69.192,1322 0.258,1323 20.683,1324 0.674,1325 112,1326 359.825,1327 154.051,1328 413.562,1329 544.52,1330 382,1331 132,1332 359.897,1333 164.447,1334 384.024,1335 562.81,1336 361,1337 4.602}
{0 CHEMBL418865,1 1.359,2 8.682,3 3.439,4 11.827,5 95.254,6 6.372,7 0.522,8 3.903,9 4.066,10 3.309,11 3.402,12 4.982,13 3.35,14 4.413,15 4.633,16 3.649,17 3.794,18 5.39,19 3.702,20 4.653,21 4.882,22 3.759,23 3.976,24 5.59,25 3.869,26 4.817,27 5.068,28 3.706,29 4.045,30 5.774,31 3.9,32 4.893,33 5.176,34 3.615,35 4.041,36 5.731,37 3.868,38 4.852,39 5.144,40 3.491,41 3.966,42 5.643,43 3.777,44 4.819,45 5.14,46 3.432,47 3.848,48 5.544,49 3.647,50 4.651,51 4.961,52 3.327,53 3.629,54 5.618,55 3.46,56 0.078,57 0.705,58 11.302,59 3.96,60 13.87,61 6.17,62 0.196,63 1.058,64 18.789,65 7.318,66 23.493,67 10.745,68 0.145,69 1.297,70 23.882,71 8.53,72 23.416,73 13.25,74 0.267,75 1.426,76 28.372,77 9.72,78 44.329,79 15.154,80 0.239,81 1.424,82 30.4,83 10.357,84 41.634,85 16.312,86 0.23,87 1.328,88 29.146,89 9.914,90 35.93,91 15.629,92 0.173,93 1.203,94 27.945,95 9.629,96 29.283,97 15.222,98 0.301,99 1.056,100 24.386,101 6.662,102 48.494,103 11.397,104 42,105 32,106 0.236,107 0.574,108 0.765,109 0.861,110 0.868,111 0.868,112 3.147,113 1.009,114 -4.5,115 -4.43,116 -4.17,119 36.2,120 3,121 3,122 1,139 2,140 4,141 1,142 1,144 1,147 1,157 3,158 3,159 3,166 12,169 1,170 2,172 3,173 3,175 3,178 14,180 3,182 2,187 5,189 15,191 5,193 2,195 1,196 1,197 1,198 6,200 2,201 14,204 6,205 1,207 4,212 5,215 13,218 5,221 4,226 4,229 8,231 4,234 4,239 4,241 2,243 4,246 6,248 2,249 2,250 1,251 5,253 2,256 5,258 1,260 2,265 3,270 3,273 632,274 14.464,275 14.464,276 14.464,277 14.464,278 14.464,279 12.883,280 19.757,281 8.301,282 14.657,283 11.161,284 11.161,285 11.161,286 11.161,287 11.161,288 8.743,289 23.88,290 3.746,291 11.487,292 4.196,293 2.251,294 1.15,295 0.601,296 0.559,297 0.559,298 3.801,300 1,301 1,302 1,303 386,304 3.082,307 151.689,314 1.194,315 17.377,317 1,318 0.75,319 0.83,320 0.83,321 0.9,322 1,323 0.83,324 1,325 0.88,326 46.5,327 191,328 4.451,329 3.323,330 6.607,331 4.108,332 3.115,333 4.124,334 0.68,335 10.414,336 3.092,337 4.23,338 3.067,339 6.089,340 3.822,341 2.861,342 3.876,344 8.844,345 2.755,346 3.624,347 2.64,348 5.627,349 3.388,350 2.394,351 2.936,353 7.268,354 2.381,355 3.534,356 2.488,357 5.257,358 3.21,359 2.246,360 2.776,362 6.595,363 2.167,364 3.352,365 2.148,366 4.917,367 2.934,368 1.988,369 2.65,371 5.629,372 1.869,373 2.821,374 1.628,375 4.388,376 2.48,377 1.487,378 1.95,380 3.813,381 1.475,382 2.668,383 1.553,384 4.134,385 2.348,386 1.414,387 1.689,389 3.657,390 1.317,391 1.829,392 0.871,393 3.34,394 1.659,395 0.677,396 0.749,398 1.408,399 0.664,400 1.61,401 0.625,402 2.951,403 1.359,404 0.398,405 0.467,407 0.822,408 0.381,409 1.325,410 0.297,411 2.749,412 1.216,413 0.223,414 0.236,415 0.314,416 0.221,417 1.113,418 0.079,419 2.359,420 0.892,421 -0.072,422 -0.083,423 -0.136,424 -0.07,425 0.798,426 -0.314,427 2.324,428 0.394,429 -0.514,430 -0.621,431 -1.242,432 -0.466,433 0.664,434 -0.403,435 2.248,436 0.316,437 -0.651,438 -0.76,439 -1.626,440 -0.627,441 0.556,442 -0.599,443 1.913,444 0.309,445 -0.689,446 -0.877,448 -1.879,449 -0.689,450 0.08,451 -0.948,452 1.449,453 -0.229,454 -1.177,455 -1.382,457 -2.929,458 -1.107,459 10.5,460 0.477,461 0.63,462 0.029,463 26.75,464 1.216,465 13.5,466 0.614,467 13.25,468 0.602,469 20.133,470 0.915,471 24.9,472 0.53,473 18.151,474 0.825,475 4.776,476 0.217,477 5.68,478 0.258,479 0.257,481 0.381,485 1.246,486 1.24,487 1.032,488 1.065,489 1.416,490 1.031,491 0.4,492 0.957,493 0.79,494 1.013,495 0.402,496 0.956,497 0.833,498 1.241,499 0.962,500 1.151,501 0.737,502 1.083,503 0.974,504 1.116,505 1.16,506 1.202,507 1.043,508 1.202,509 0.907,510 1.031,511 1.046,512 1.086,513 0.96,514 1.082,515 0.876,516 1.028,517 1.053,518 1.101,519 0.905,520 1.097,521 0.442,522 1.053,523 0.724,524 0.992,525 0.465,526 0.905,527 1.061,528 1.092,529 1.001,530 1.027,531 1,532 1.01,533 5.5,534 0.029,535 2.889,536 1.938,537 1.618,538 0.674,539 0.629,540 0.42,541 0.201,542 0.168,543 4183,544 9427,545 1.919,546 53.2,547 16,548 2,550 1,551 6,555 1.65,556 1.737,557 3.091,558 3.607,560 1,564 63.873,565 1.359,566 3.304,567 4.405,568 4.953,569 4.996,570 4.996,571 2.465,572 4.005,573 4.432,574 3.214,575 742.381,576 7.637,577 8125.67,579 1,581 1,582 261.066,583 1.573,584 4.349,585 0.239,586 0.006,587 0.09,588 0.055,589 0.052,590 0.024,591 0.026,592 0.018,593 0.011,594 0.017,595 0.539,596 0.17,597 1,598 1.231,599 100.162,600 -0.182,601 0.093,602 -0.006,603 0.106,604 -0.265,605 0.075,606 0.383,607 0.193,608 0.187,609 0.122,610 0.297,611 0.131,612 -0.015,613 -0.119,614 0.015,615 -0.044,616 0.028,617 -0.017,618 -0.045,619 -0.036,620 -0.18,621 -0.153,622 -0.048,623 -0.177,624 -0.085,625 -0.049,626 -0.086,627 -0.067,628 -0.066,629 -0.075,630 -0.076,631 -0.073,632 -0.098,633 -0.093,634 -0.088,635 -0.097,636 0.194,637 -0.206,638 0.207,639 -0.003,640 0.164,641 0.087,642 0.141,643 -0.154,644 -0.001,645 -0.13,646 0.136,647 -0.089,648 1.465,649 2.316,650 0.545,651 16.364,652 0.986,653 1.141,654 3.273,655 10.713,656 0.631,657 3.178,658 3.497,659 3.738,660 3.932,661 4.127,662 4.094,663 4.159,664 4.174,665 4.111,666 4.094,667 5.222,668 0.582,669 299.47,670 3.178,671 4.71,672 5.549,673 6.422,674 7.281,675 8.157,676 9.024,677 9.9,678 10.771,679 11.647,680 10.6,684 3,690 2,695 3,696 2,700 7,702 12,711 3,718 47,719 12,720 1,721 23,723 48,724 17,725 10,726 4,727 2,729 2,730 2,734 3,739 3,741 10,742 7,743 1,753 1,754 1,757 25,758 5,759 6,760 5,764 5,769 1,776 1,781 2,802 2,806 3,810 22,811 3,816 3,820 1,836 12.667,837 8.983,838 5.028,839 3.029,840 2.255,841 1.349,842 0.959,843 5.247,844 8.707,845 3.401,846 4.007,847 4.549,848 5.066,849 5.583,850 5.688,851 5.925,852 6.222,853 6.507,854 6.799,855 0.833,856 35,857 8.091,859 3.279,860 7.659,861 15.635,863 12.493,865 2.159,866 47.5,869 1,870 223.651,871 81.805,872 132.263,877 81.805,878 223.651,879 132.263,880 26.476,881 7.604,882 117.644,883 45.342,884 24.546,885 4.227,886 211.88,888 223.651,889 214.068,893 223.651,897 45.026,898 135.471,899 33.571,901 223.651,902 132.263,903 81.805,906 223.651,907 27.33,908 54.476,910 132.263,911 223.651,912 132.263,913 81.805,915 0.581,916 0.352,917 0.18,918 0.098,919 14,920 8,921 0.104,922 5,924 1,925 3.237,926 165.948,928 12,929 98.107,933 16.563,934 6.97,935 3.705,937 132.263,938 6.026,939 8.055,943 6.023,945 98.692,946 437.719,947 29,956 46.345,957 53.644,958 0.245,959 0.595,960 0.793,961 0.892,962 0.899,963 0.899,964 4.635,965 0.677,966 5.557,967 3.657,968 4.174,969 4.691,970 0.655,971 6.372,972 4.123,973 5.857,974 0.398,975 7.133,976 1.408,977 3.892,978 4.62,980 7.294,981 3.821,982 7.175,983 0.223,984 8.805,985 0.822,986 5.784,987 6.896,988 0.356,989 10.361,990 5.695,991 8.528,992 -0.072,993 10.528,994 0.314,995 6.256,996 7.561,998 12.042,999 6.154,1000 9.907,1001 -0.514,1002 12.284,1003 -0.136,1004 7.663,1005 9.372,1006 0.18,1007 14.655,1008 7.546,1009 11.305,1010 -0.651,1011 14.062,1012 -1.242,1013 8.477,1014 10.382,1016 16.674,1017 8.351,1018 12.717,1019 -0.689,1020 15.857,1021 -1.626,1022 9.7,1023 11.993,1024 0.087,1025 19.116,1026 9.561,1027 3.115,1028 -1.177,1029 17.664,1030 -1.879,1031 10.674,1032 13.183,1034 21.298,1035 10.527,1036 2.861,1037 10.414,1038 19.482,1039 -2.929,1040 11.827,1041 14.695,1042 0.041,1043 23.671,1044 11.668,1045 2.394,1046 8.844,1047 21.309,1048 4.124,1049 12.876,1050 15.981,1052 25.931,1053 12.71,1054 2.246,1055 7.268,1056 23.143,1057 3.876,1058 14.002,1059 17.441,1060 0.019,1061 28.278,1062 13.828,1063 1.988,1064 6.595,1065 24.984,1066 2.936,1067 15.087,1068 18.779,1070 30.576,1071 14.907,1072 1.487,1073 5.629,1074 26.83,1075 2.776,1076 16.206,1077 20.213,1078 0.009,1079 32.914,1080 16.018,1081 1.414,1082 3.813,1083 28.68,1084 2.65,1085 17.309,1086 21.58,1088 35.231,1089 17.116,1090 4360,1091 6678,1092 14.334,1093 29.643,1094 33.674,1095 33.869,1096 36.532,1097 33.66,1098 33.606,1099 42.909,1100 1.36,1101 97.527,1102 32.647,1103 5.233,1104 5.323,1105 6.15,1106 5.177,1107 5.115,1108 7.124,1109 1.36,1110 17.533,1111 5.092,1112 14.138,1113 1.464,1114 1.473,1115 1.588,1116 1.463,1117 1.461,1118 1.866,1119 0.059,1120 4.24,1121 1.419,1122 4.028,1123 4.062,1124 3.973,1125 3.965,1126 5.291,1127 3.963,1128 3.837,1129 3.892,1130 3.796,1131 3.683,1132 5.087,1133 3.704,1134 3.611,1135 3.679,1136 3.446,1137 3.49,1138 4.978,1139 3.471,1140 3.395,1141 3.475,1142 3.226,1143 3.243,1144 4.523,1145 3.228,1146 3.213,1147 3.309,1148 3.042,1149 3.01,1150 4.413,1151 3.005,1152 3.107,1153 3.221,1154 2.89,1155 2.881,1156 4.171,1157 2.86,1158 3.03,1159 3.159,1160 2.812,1161 2.709,1162 3.994,1163 2.736,1164 2.886,1165 3.006,1166 2.728,1167 2.577,1168 3.755,1169 2.604,1170 0.194,1171 0.144,1172 0.287,1173 0.179,1174 0.135,1175 4.451,1176 0.179,1177 3.323,1178 0.03,1179 6.607,1180 0.453,1181 4.108,1182 0.134,1183 3.115,1184 4.124,1185 0.68,1186 10.414,1187 3.092,1188 1.998,1189 1.973,1190 2.11,1191 2.085,1192 1.365,1193 2.093,1194 1.773,1195 1.726,1196 1.926,1197 1.959,1198 1.16,1199 1.94,1200 1.634,1201 1.571,1202 1.86,1203 1.803,1204 1.026,1205 1.838,1206 1.409,1207 1.334,1208 1.69,1209 1.611,1210 0.778,1211 1.648,1212 1.208,1213 1.118,1214 1.579,1215 1.462,1216 0.652,1217 1.501,1218 1.107,1219 1.009,1220 1.389,1221 1.405,1222 0.378,1223 1.421,1224 0.93,1225 0.816,1226 1.246,1227 1.333,1228 0.247,1229 1.322,1230 0.809,1231 0.694,1232 1.153,1233 1.177,1234 0.133,1235 1.183,1236 3.85,1238 5.165,1240 6.681,1242 8.29,1244 9.946,1246 6.5,1250 17.804,1252 2.656,1256 0.435,1262 27.375,1263 63.873,1264 155.291,1265 207.027,1266 232.801,1267 234.801,1268 234.801,1269 40.254,1270 6.452,1271 103.84,1272 103.84,1273 12,1274 12.187,1275 3.7,1276 2.807,1277 42.019,1278 68,1279 70,1280 0.309,1281 175.461,1282 295.3,1283 419.884,1284 4321,1286 16.276,1287 0.74,1288 0.616,1289 16.276,1290 13.557,1291 10.456,1292 0.455,1293 0.336,1294 7.678,1295 10.216,1296 7.358,1297 6.244,1298 10.456,1299 7.738,1300 9.306,1301 0.291,1302 0.179,1303 9.306,1304 5.736,1305 7.805,1306 0.19,1307 0.102,1308 7.805,1309 4.193,1310 5.979,1311 0.12,1312 0.052,1313 5.979,1314 2.619,1315 4.653,1316 0.076,1317 0.029,1318 4.653,1319 1.799,1320 0.471,1321 64.464,1322 0.264,1323 21.371,1324 0.886,1325 110,1326 251.227,1327 117.077,1328 258.592,1329 360.21,1330 240,1331 128,1332 275.817,1333 134.495,1334 285.972,1335 413.04,1336 268,1337 4.569}
{0 CHEMBL419946,1 1.731,2 16.171,3 1.782,4 3.176,5 124.123,6 8.302,7 0.459,8 4.173,9 4.277,10 3.785,11 3.644,12 5.484,13 3.673,14 4.651,15 4.783,16 4.154,17 4.015,18 6.094,19 4.015,20 4.931,21 5.106,22 4.216,23 4.148,24 6.219,25 4.136,26 5.019,27 5.204,28 4.162,29 4.099,30 6.343,31 4.09,32 4.953,33 5.142,34 4.084,35 4.03,36 6.354,37 4.015,38 4.886,39 5.084,40 4.034,41 3.984,42 6.227,43 3.958,44 4.825,45 5,46 4.052,47 3.916,48 6.451,49 3.901,50 4.676,51 4.854,52 3.879,53 3.83,54 6.174,55 3.797,56 0.275,57 0.849,58 9.979,59 4.792,60 45.612,61 5.417,62 0.708,63 1.285,64 18.122,65 8.246,66 106.801,67 10.007,68 0.848,69 1.556,70 27.458,71 9.957,72 125.68,73 12.615,74 1.159,75 1.543,76 32.935,77 10.408,78 179.604,79 12.737,80 1.198,81 1.428,82 31.224,83 9.607,84 208.207,85 12.012,86 1.028,87 1.318,88 29.363,89 9.662,90 148.485,91 12.36,92 1.315,93 1.189,94 27.905,95 9.417,96 219.595,97 11.877,98 0.931,99 1.093,100 22.945,101 8.192,102 163.674,103 10.359,104 75,105 51,106 0.28,107 0.665,108 0.798,109 0.875,110 0.892,111 0.892,112 3.588,113 0.85,114 -3.72,115 -3.68,116 -3.51,119 39.7,121 3,125 1,127 1,139 7,140 4,143 1,144 1,147 1,153 4,157 2,158 2,159 2,161 2,165 2,166 12,167 1,169 2,170 8,172 3,173 6,175 4,176 1,178 11,179 2,180 1,182 13,185 1,186 1,187 6,189 5,190 2,191 1,193 15,194 1,195 1,196 1,197 1,198 9,200 2,201 2,202 2,204 4,205 1,206 1,207 9,210 1,212 6,213 1,215 7,216 2,217 1,218 3,220 2,221 5,222 2,223 1,224 2,225 1,226 3,227 2,229 13,230 2,231 1,233 3,234 2,235 1,237 4,238 1,239 2,241 14,242 2,245 3,246 4,248 2,249 3,251 3,254 9,255 2,256 1,260 9,261 2,265 5,268 3,269 2,270 2,273 2435,274 22.792,275 22.792,276 22.792,277 22.792,278 22.792,279 20.158,280 22.561,281 13.376,282 23.107,283 18.211,284 18.211,285 18.211,286 18.211,287 18.211,288 14.087,289 22.227,290 6.342,291 18.684,292 4.127,293 1.749,294 0.925,295 0.448,296 0.345,297 0.345,298 4.265,303 1177,304 4.95,307 367.432,311 197.409,314 2.624,315 63.746,318 0.5,319 0.33,320 0.5,321 0.4,323 0.33,325 0.3,326 79.5,327 566,328 4.541,329 3.774,330 6.502,331 4.048,332 3.079,333 4.491,334 2.375,335 10.175,336 2.989,337 4.259,338 3.666,339 6.137,340 3.914,341 2.918,342 3.845,343 2.341,344 8.953,345 2.901,346 4.018,347 3.595,348 6.001,349 3.745,350 2.759,351 3.348,352 1.727,353 8.489,354 2.707,355 3.82,356 3.518,357 5.806,358 3.543,359 2.544,360 3.226,361 1.061,362 7.795,363 2.528,364 3.758,365 3.129,366 5.311,367 3.361,368 2.391,369 3.007,370 0.636,371 6.876,372 2.314,373 3.544,374 2.671,375 5.062,376 3.219,377 2.214,378 2.811,379 0.14,380 5.803,381 2.199,382 3.429,383 2.297,384 4.971,385 2.976,386 2.045,387 2.706,389 5.757,390 1.899,391 3.377,392 2.193,393 4.656,394 2.913,395 1.965,396 2.7,398 5.17,399 1.857,400 3.114,401 2.145,402 4.36,403 2.642,404 1.648,405 2.24,407 4.216,408 1.618,409 2.712,410 2.051,411 4.052,412 2.389,413 1.392,414 1.694,415 3.385,416 1.369,417 2.548,418 1.674,419 3.712,420 2.174,421 1.193,422 1.5,423 2.888,424 1.155,425 2.5,426 1.445,427 3.706,428 2,429 1.007,430 1.479,431 2.565,432 1,433 2.453,434 1.367,435 3.414,436 1.982,437 1,438 1.431,439 2.275,440 0.979,441 1.974,442 1.057,443 3.146,444 1.726,445 0.725,446 0.833,448 1.622,449 0.712,450 1.855,451 1,452 3.024,453 1.497,454 0.533,455 0.664,457 1.258,458 0.505,459 15.833,460 0.452,461 1.038,462 0.03,463 45.5,464 1.3,465 23,466 0.657,467 22.5,468 0.643,469 27.94,470 0.798,471 38.767,472 0.668,473 41.415,474 1.183,475 9.359,476 0.267,477 7.275,478 0.208,479 0.177,481 0.379,485 0.869,486 1.188,487 0.761,488 0.994,489 0.777,490 0.856,491 0.495,492 1.077,493 0.739,494 1.104,495 0.433,496 1.024,497 0.918,498 1.172,499 0.965,500 1.111,501 0.882,502 1.06,503 1.294,504 1.037,505 1.145,506 1.036,507 1.209,508 1.047,509 1.198,510 0.983,511 1.134,512 0.983,513 1.153,514 1.022,515 0.994,516 0.85,517 0.997,518 0.988,519 1.095,520 0.994,521 0.828,522 0.87,523 0.875,524 0.965,525 0.874,526 0.957,527 0.836,528 0.936,529 0.977,530 1.039,531 0.912,532 1.066,533 8.5,534 0.165,535 4.444,536 2.313,537 2.12,538 1.236,539 0.812,540 0.479,541 0.447,542 0.369,543 19829,544 72597,545 1.962,546 39.7,547 2,548 10,551 7,552 2,553 2,555 1.761,556 1.795,557 3.928,558 4.005,560 1,564 100.418,565 1.731,566 4.109,567 4.933,568 5.41,569 5.513,570 5.513,571 3.411,572 4.822,573 5.1,574 4.152,575 2470.16,576 8.92,577 41924.3,582 339.763,583 1.54,584 5.033,585 0.23,586 0.005,587 0.087,588 0.044,589 0.044,590 0.028,591 0.019,592 0.011,593 0.012,594 0.011,595 0.492,596 0.17,597 0.63,598 1.749,599 195.045,600 -0.162,601 0.044,602 -0.03,603 0.097,604 -0.139,605 0.089,606 0.25,607 0.062,608 0.07,609 -0.027,610 0.207,611 -0.042,612 -0.091,613 -0.119,614 -0.06,615 -0.091,616 -0.084,617 -0.07,618 -0.244,619 -0.069,620 -0.153,621 -0.06,622 -0.191,623 -0.077,624 -0.153,625 -0.019,626 -0.135,627 -0.01,628 -0.101,629 -0.048,630 -0.024,631 0.102,632 0.001,633 0.01,634 -0.106,635 0.014,636 0.279,637 0.03,638 0.141,639 0.058,640 0.264,641 0.056,642 0.129,643 0.022,644 -0.009,645 -0.008,646 0.094,647 -0.051,648 2.936,649 5.4,650 0.457,651 46.735,652 1.03,653 1.133,654 2.489,655 6.194,656 0.656,657 3.638,658 3.951,659 4.143,660 4.331,661 4.543,662 4.595,663 4.654,664 4.644,665 4.779,666 4.779,667 9.342,668 0.653,669 481.51,670 3.638,671 5.176,672 5.999,673 6.86,674 7.702,675 8.565,676 9.416,677 10.281,678 11.137,679 12.003,680 8.6,684 2,687 1,690 2,694 2,695 7,696 2,700 5,702 17,707 1,710 1,711 2,718 58,719 21,720 2,721 37,723 60,724 23,725 14,726 5,727 7,728 2,729 3,730 4,739 4,741 18,742 5,744 4,748 4,751 4,757 23,758 12,759 7,760 12,764 5,769 0.667,770 7,776 1,781 3,785 1,792 2,800 2,802 2,810 35,811 2,815 2,816 4,817 1,818 1,820 1,829 12.1,831 2,832 4,834 1,836 19.5,837 9.967,838 7.722,839 3.154,840 3.445,841 1.445,842 0.925,843 8.575,844 11.185,845 3.922,846 4.5,847 5.009,848 5.54,849 6.106,850 6.372,851 6.703,852 6.899,853 7.271,854 7.269,855 0.909,856 53,857 13.006,859 5.677,860 8.348,861 23.252,863 18.513,865 2.848,866 99.667,870 188.338,871 110.746,872 117.376,874 196.946,877 110.746,878 385.284,879 117.376,881 30.207,882 132.128,883 233.233,884 25.274,885 4.227,886 188.338,888 188.338,889 228.122,890 196.946,893 164.795,894 220.488,897 34.25,898 160.301,899 33.571,901 188.338,902 314.322,903 110.746,906 188.338,907 44.413,908 66.334,909 18.011,910 296.312,911 188.338,912 314.322,913 110.746,915 0.585,916 0.324,917 0.16,918 0.088,919 21,920 12,921 0.183,922 11,923 1,924 1.125,925 4.573,926 303.266,927 0.125,928 16,929 175.525,933 25.875,934 11.599,935 7.12,936 1.136,937 314.322,938 10.58,939 7.987,943 1.249,945 169.172,946 613.406,947 49.5,951 46.705,954 -3.61,956 59.753,957 65.694,958 0.296,959 0.701,960 0.842,961 0.923,962 0.941,963 0.941,964 5.155,965 1.965,966 5.994,967 5.757,968 4.635,969 5.187,970 3.321,971 6.767,972 4.586,973 6.369,974 1.648,975 7.542,976 5.17,977 4.29,978 5.094,979 2.882,980 7.612,981 4.231,982 7.676,983 1.392,984 9.185,985 4.216,986 6.205,987 7.369,988 4.582,989 10.648,990 6.115,991 9.013,992 1.193,993 10.881,994 3.385,995 6.608,996 8.046,997 4.828,998 12.275,999 6.511,1000 10.377,1001 1.007,1002 12.611,1003 2.888,1004 8.034,1005 9.863,1006 6.077,1007 14.839,1008 7.909,1009 11.761,1010 1,1011 14.364,1012 2.565,1013 8.783,1014 10.919,1015 6.631,1016 16.811,1017 8.649,1018 13.161,1019 0.725,1020 16.134,1021 2.275,1022 10.011,1023 12.549,1024 7.68,1025 19.2,1026 9.851,1027 3.079,1028 0.533,1029 17.917,1030 1.622,1031 10.931,1032 13.811,1033 8.385,1034 21.335,1035 10.757,1036 2.918,1037 10.175,1038 19.71,1039 1.258,1040 12.074,1041 15.358,1042 9.337,1043 23.658,1044 11.876,1045 2.759,1046 8.953,1047 21.512,1048 4.491,1049 13.081,1050 16.732,1051 10.118,1052 25.874,1053 12.864,1054 2.544,1055 8.489,1056 23.32,1057 3.845,1058 14.19,1059 18.244,1060 11.023,1061 28.175,1062 13.95,1063 2.391,1064 7.795,1065 25.134,1066 3.348,1067 15.24,1068 19.676,1069 11.843,1070 30.431,1071 14.978,1072 2.214,1073 6.876,1074 26.953,1075 3.226,1076 16.338,1077 21.175,1078 12.724,1079 32.727,1080 16.053,1081 2.045,1082 5.803,1083 28.777,1084 3.007,1085 17.412,1086 22.638,1087 13.563,1088 35.006,1089 17.102,1090 19544,1091 37500,1092 23.581,1093 38.063,1094 55.669,1095 58.191,1096 57.019,1097 54.908,1098 54.826,1099 71.946,1100 16.561,1101 154.456,1102 53.465,1103 5.468,1104 5.774,1105 6.046,1106 5.12,1107 5.079,1108 7.491,1109 4.103,1110 17.069,1111 4.989,1112 23.47,1113 1.505,1114 1.573,1115 1.541,1116 1.484,1117 1.482,1118 1.944,1119 0.448,1120 4.174,1121 1.445,1122 4.073,1123 4.106,1124 4.042,1125 3.983,1126 7.477,1127 3.993,1128 3.953,1129 3.974,1130 3.907,1131 3.876,1132 7.471,1133 3.879,1134 3.777,1135 3.816,1136 3.682,1137 3.62,1138 7.433,1139 3.624,1140 3.571,1141 3.608,1142 3.508,1143 3.355,1144 7.428,1145 3.387,1146 3.528,1147 3.559,1148 3.458,1149 3.3,1150 6.352,1151 3.333,1152 3.349,1153 3.349,1154 3.315,1155 3.121,1156 6.35,1157 3.164,1158 3.144,1159 3.237,1160 3.058,1161 2.939,1162 5.307,1163 2.951,1164 3.118,1165 3.17,1166 3.017,1167 2.825,1168 4.982,1169 2.863,1170 0.123,1171 0.102,1172 0.176,1173 0.109,1174 0.083,1175 4.541,1176 0.121,1177 3.774,1178 0.064,1179 6.502,1180 0.275,1181 4.048,1182 0.081,1183 3.079,1184 4.491,1185 2.375,1186 10.175,1187 2.989,1188 2.017,1189 1.992,1190 2.083,1191 2.127,1192 1.295,1193 2.114,1194 1.92,1195 1.902,1196 2.015,1197 2.022,1198 1.22,1199 2.018,1200 1.738,1201 1.693,1202 1.948,1203 1.919,1204 1.099,1205 1.926,1206 1.468,1207 1.429,1208 1.614,1209 1.721,1210 0.813,1211 1.688,1212 1.425,1213 1.39,1214 1.596,1215 1.683,1216 0.7,1217 1.656,1218 1.209,1219 1.203,1220 1.365,1221 1.479,1222 0.345,1223 1.43,1224 1.074,1225 1.017,1226 1.293,1227 1.386,1228 0.324,1229 1.371,1230 1.003,1231 0.931,1232 1.257,1233 1.329,1234 0.218,1235 1.304,1236 4.317,1238 5.631,1240 7.122,1242 8.698,1244 10.322,1250 11.445,1251 17.921,1252 -0.178,1253 2.349,1254 5.315,1256 -1.232,1262 37.852,1263 100.418,1264 238.321,1265 286.111,1266 313.763,1267 319.763,1268 319.763,1269 116.897,1270 7.74,1271 207.82,1272 207.82,1273 18,1274 12.551,1275 4.459,1276 3.755,1277 71.087,1278 199,1279 183,1280 0.171,1281 236.03,1282 421.53,1283 567.674,1284 27890,1286 25.535,1287 0.73,1288 0.527,1289 25.535,1290 18.432,1291 16.634,1292 0.45,1293 0.283,1294 10.294,1295 15.822,1296 10.146,1297 8.378,1298 16.634,1299 10.48,1300 15.428,1301 0.303,1302 0.149,1303 15.428,1304 7.622,1305 11.797,1306 0.19,1307 0.081,1308 11.797,1309 5.047,1310 9.232,1311 0.123,1312 0.043,1313 9.232,1314 3.254,1315 7.251,1316 0.078,1317 0.023,1318 7.251,1319 2.121,1320 0.282,1321 105.978,1322 0.206,1323 33.152,1324 0.437,1325 176,1326 665.225,1327 201.375,1328 629.65,1329 817.55,1330 578,1331 201,1332 568.356,1333 222.559,1334 569.629,1335 824.85,1336 533,1337 6.796}
{0 CHEMBL420172,1 1.79,2 8.55,3 3.365,4 11.321,5 85.205,6 9.557,7 0.727,8 3.604,9 3.727,10 3.424,11 3.234,12 4.82,13 3.193,14 4.043,15 4.187,16 3.874,17 3.63,18 5.272,19 3.559,20 4.204,21 4.352,22 3.911,23 3.74,24 5.351,25 3.625,26 4.215,27 4.384,28 3.729,29 3.624,30 5.407,31 3.497,32 4.212,33 4.45,34 3.645,35 3.497,36 5.293,37 3.373,38 4.103,39 4.351,40 3.287,41 3.395,42 5.017,43 3.248,44 3.938,45 4.164,46 3.225,47 3.228,48 5.022,49 3.109,50 3.841,51 4.101,52 3.137,53 3.029,54 4.945,55 2.908,56 0.083,57 0.534,58 4.608,59 2.464,60 10.808,61 2.66,62 0.182,63 0.819,64 9.461,65 4.63,66 17.597,67 5.501,68 0.193,69 0.932,70 16.82,71 6.117,72 17.966,73 6.109,74 0.266,75 0.944,76 18.892,77 6.424,78 23.758,79 6.748,80 0.341,81 0.89,82 17.697,83 4.806,84 34.538,85 5.091,86 0.163,87 0.725,88 16.649,89 6.017,90 16.682,91 7.684,92 0.178,93 0.614,94 12.862,95 4.522,96 19.219,97 5.485,98 0.182,99 0.501,100 13.061,101 3.968,102 22.161,103 5.056,104 17,105 32,106 0.332,107 0.717,108 0.784,109 0.83,110 0.83,111 0.83,112 3.058,113 0.966,114 -4.75,115 -4.67,116 -4.39,119 40.6,120 1,139 4,140 2,141 2,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 4,169 1,170 2,172 3,173 4,175 4,178 8,180 1,182 2,187 2,189 8,191 1,193 3,195 1,196 2,197 3,198 4,200 4,201 2,204 2,205 1,207 1,212 4,215 7,218 2,221 2,226 2,229 4,231 2,234 4,239 3,241 1,243 2,246 2,251 4,254 2,256 4,260 1,265 2,270 2,273 462,274 13.171,275 13.171,276 13.171,277 13.171,278 13.171,279 11.115,280 12.574,281 7.567,282 13.719,283 10.845,284 10.845,285 10.845,286 10.845,287 10.845,288 7.808,289 13.001,290 3.626,291 11.854,292 3.21,293 1.136,294 0.774,295 0.524,296 0.524,297 0.524,298 3.732,299 1,300 1,301 1,302 1,303 367,304 2.236,306 38.835,307 110.8,310 75.757,314 1.25,315 16.356,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 42.833,327 171,328 4.7,329 4.576,330 6.875,331 4.215,332 3.26,333 4.676,334 2.95,335 11.406,336 3.118,337 4.038,338 3.373,339 5.785,340 3.567,341 2.661,342 3.632,344 7.942,345 2.39,346 3.82,347 2.959,348 5.357,349 3.346,350 2.431,351 3.312,353 6.856,354 2.215,355 3.469,356 2.821,357 5.137,358 2.998,359 2.114,360 2.828,362 6.061,363 1.87,364 3.385,365 2.306,366 4.972,367 2.885,368 1.986,369 2.708,371 5.73,372 1.717,373 3.17,374 2.006,375 4.846,376 2.695,377 1.767,378 2.425,380 5.322,381 1.606,382 2.527,383 1.726,384 4.214,385 2.118,386 1.203,387 1.535,389 3.338,390 1.086,391 2.5,392 1.063,393 3.414,394 2,395 1,396 1.5,398 2.275,399 1,400 1.471,401 1,402 3.053,403 1.032,404 0.203,405 0.247,407 0.514,408 0.154,409 1.145,410 0.471,411 2.724,412 0.756,413 -0.171,414 -0.209,415 -0.431,416 -0.156,417 1.027,418 0.041,419 2.52,420 0.565,421 -0.303,422 -0.392,423 -0.781,424 -0.235,425 0.71,426 -0.042,427 2.276,428 0.319,429 -0.555,430 -0.656,431 -1.329,432 -0.466,433 0.5,434 -0.307,435 2,437 -0.865,438 -1.025,439 -2.22,440 -0.693,441 0.332,442 -0.613,443 1.863,444 -0.007,445 -1,446 -1.5,448 -3,449 -1,450 0.063,451 -1,452 1.585,453 -0.367,454 -1.258,455 -1.592,457 -3.228,458 -1.027,459 10.048,460 0.502,461 0.63,462 0.032,463 28.75,464 1.438,465 15.5,466 0.775,467 13.25,468 0.663,469 14.18,470 0.709,471 20.552,472 0.642,473 17.924,474 0.896,475 5.529,476 0.276,477 4.013,478 0.201,479 0.2,481 0.398,485 1.047,486 1.027,487 0.629,488 0.64,489 1.229,490 0.657,491 0.422,492 0.838,493 0.606,494 0.776,495 0.364,496 0.73,497 1.223,498 1.238,499 1.301,500 1.227,501 1.002,502 1.046,503 0.837,504 1.255,505 1.363,506 1.543,507 0.704,508 1.329,509 1.396,510 0.817,511 0.755,512 0.718,513 1.509,514 0.922,515 0.469,516 1.004,517 0.678,518 1.004,519 0.451,520 1.001,521 0.778,522 1.102,523 0.849,524 1.062,525 0.903,526 1.105,527 1.19,528 0.937,529 0.841,530 0.699,531 1.149,532 0.86,533 5,534 0.049,535 2.222,536 2.167,537 1.272,538 0.667,539 0.375,540 0.249,541 0.172,542 0.092,543 3657,544 12584,545 2.048,546 37.5,547 3,548 4,551 5,555 1.617,556 1.875,557 3.062,558 2.917,560 1,562 1,564 57.265,565 1.79,566 3.864,567 4.226,568 4.476,569 4.476,570 4.476,571 2.504,572 3.884,573 4.293,574 3.174,575 603.119,576 7.333,577 6020.47,578 1,579 1,580 1,581 1,582 160,583 1.522,584 4.231,585 0.227,586 0.012,587 0.069,588 0.07,589 0.049,590 0.033,591 0.021,592 0.016,593 0.013,594 0.013,595 0.524,596 0.17,597 1,598 0.68,599 87.764,600 -0.256,601 0.104,602 -0.004,603 0.18,604 -0.374,605 0.132,606 0.353,607 0.23,608 0.173,609 0.157,610 0.322,611 0.157,612 -0.283,613 -0.146,614 -0.205,615 -0.106,616 -0.189,617 -0.128,618 0.088,619 -0.18,620 -0.314,621 -0.432,622 0.165,623 -0.397,624 -0.391,625 0.244,626 0.022,627 0.181,628 -0.464,629 -0.022,630 0.157,631 -0.158,632 0.121,633 -0.022,634 0.181,635 0.091,636 0.052,637 -0.195,638 -0.026,639 -0.154,640 0.001,641 -0.106,642 -0.09,643 -0.118,644 0.14,645 0.152,646 0.019,647 0.177,648 1.501,649 1.907,650 0.75,651 13.52,652 1.014,653 1.126,654 3.525,655 12.422,656 0.737,657 3.135,658 3.497,659 3.761,660 4.06,661 4.248,662 4.304,663 4.357,664 4.454,665 4.419,666 4.369,667 4.972,668 0.695,669 305.82,670 3.135,671 4.691,672 5.549,673 6.447,674 7.324,675 8.228,676 9.115,677 10.022,678 10.914,679 11.823,680 15.6,684 2,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,717 1,718 32,719 16,720 1,721 22,723 34,724 13,725 12,726 2,727 4,729 3,730 4,731 1,734 1,741 12,742 1,753 1,754 1,757 12,758 4,759 5,760 7,761 2,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 1,807 1,810 20,811 2,819 1,828 1,836 10.667,837 5.96,838 4.278,839 1.666,840 3.103,841 1.46,842 1.042,843 3.498,844 9.849,845 3.434,846 4.139,847 4.768,848 5.42,849 5.945,850 6.245,851 6.604,852 7.027,853 7.208,854 7.452,855 0.833,856 31,857 7.298,859 3.095,860 7.789,861 13.751,863 11.208,865 2.289,866 45.778,870 82.398,871 96.824,872 116.151,873 39.149,876 32.22,877 64.604,878 121.546,879 116.151,880 8.825,882 103.699,883 35.286,884 28.717,885 4.227,886 114.617,887 39.149,888 82.398,889 180.755,891 71.368,893 82.398,897 30.347,898 116.837,899 72.72,900 32.22,901 82.398,902 116.151,903 135.972,906 82.398,907 50.094,908 46.73,909 16.786,910 138.514,911 82.398,912 116.151,913 135.972,915 0.596,916 0.344,917 0.188,918 0.103,919 17,920 8,921 0.059,922 2,923 1,924 1.133,925 3.195,926 153.433,927 0.133,928 15,929 82.439,930 1,933 13.55,934 5.163,935 2.598,936 1.472,937 99.365,938 7.63,939 8.163,940 3.227,943 4.323,945 82.58,946 334.521,947 30,956 32.444,957 36.016,958 0.358,959 0.773,960 0.845,961 0.895,962 0.895,963 0.895,964 4.673,965 1,966 5.565,967 3.338,968 4.174,969 4.824,970 2.913,971 6.402,972 4.007,973 5.93,974 0.203,975 7.143,976 2.275,977 3.892,978 4.808,980 7.334,981 3.624,982 7.268,983 -0.171,984 8.817,985 0.514,986 5.796,987 7.15,988 5.027,989 10.457,990 5.498,991 8.641,992 -0.303,993 10.545,994 -0.431,995 6.275,996 7.927,998 12.241,999 5.911,1000 10.043,1001 -0.555,1002 12.311,1003 -0.781,1004 7.71,1005 9.785,1006 7.185,1007 14.914,1008 7.319,1009 11.469,1010 -0.865,1011 14.105,1012 -1.329,1013 8.555,1014 10.957,1016 17.084,1017 8.124,1018 12.913,1019 -1,1020 15.922,1021 -2.22,1022 9.813,1023 12.619,1024 9.348,1025 19.601,1026 9.352,1027 3.26,1028 -1.258,1029 17.758,1030 -3,1031 10.835,1032 13.988,1034 21.932,1035 10.341,1036 2.661,1037 11.406,1038 19.611,1039 -3.228,1040 12.03,1041 15.571,1042 11.511,1043 24.395,1044 11.504,1045 2.431,1046 7.942,1047 21.477,1048 4.676,1049 13.134,1050 17.034,1052 26.789,1053 12.575,1054 2.114,1055 6.856,1056 23.354,1057 3.632,1058 14.31,1059 18.587,1060 13.675,1061 29.233,1062 13.716,1063 1.986,1064 6.061,1065 25.241,1066 3.312,1067 15.453,1068 20.093,1070 31.651,1071 14.824,1072 1.767,1073 5.73,1074 27.136,1075 2.828,1076 16.624,1077 21.636,1078 15.838,1079 34.088,1080 15.959,1081 1.203,1082 5.322,1083 29.037,1084 2.708,1085 17.786,1086 23.161,1088 36.516,1089 17.083,1090 3601,1091 6784,1092 14.334,1093 23.58,1094 33.613,1095 36.476,1096 34.944,1097 33.351,1098 33.249,1099 45.725,1100 5.9,1101 98.888,1102 30.313,1103 5.469,1104 6.576,1105 6.289,1106 5.366,1107 5.26,1108 7.676,1109 5.9,1110 18.553,1111 5.118,1112 10.727,1113 1.528,1114 1.658,1115 1.588,1116 1.516,1117 1.511,1118 2.078,1119 0.268,1120 4.495,1121 1.378,1122 4.11,1123 4.15,1124 4.194,1125 4.008,1126 5.319,1127 4.008,1128 3.868,1129 3.888,1130 3.98,1131 3.825,1132 4.981,1133 3.812,1134 3.441,1135 3.519,1136 3.651,1137 3.251,1138 4.938,1139 3.254,1140 3.132,1141 3.242,1142 3.287,1143 2.96,1144 4.743,1145 2.906,1146 3.015,1147 3.143,1148 3.01,1149 2.78,1150 4.302,1151 2.789,1152 2.893,1153 2.925,1154 2.843,1155 2.735,1156 4.091,1157 2.715,1158 2.854,1159 2.901,1160 2.776,1161 2.703,1162 3.859,1163 2.714,1164 2.494,1165 2.631,1166 2.687,1167 2.292,1168 3.674,1169 2.238,1170 0.214,1171 0.208,1172 0.313,1173 0.192,1174 0.148,1175 4.7,1176 0.213,1177 4.576,1178 0.134,1179 6.875,1180 0.518,1181 4.215,1182 0.142,1183 3.26,1184 4.676,1185 2.95,1186 11.406,1187 3.118,1188 1.875,1189 1.861,1190 1.939,1191 2.01,1192 1.081,1193 1.972,1194 1.825,1195 1.788,1196 1.886,1197 1.925,1198 1.01,1199 1.951,1200 1.532,1201 1.482,1202 1.678,1203 1.713,1204 0.714,1205 1.72,1206 1.084,1207 0.996,1208 1.309,1209 1.416,1210 0.343,1211 1.405,1212 0.945,1213 0.826,1214 1.262,1215 1.35,1216 0.218,1217 1.342,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.065,1223 1.107,1224 0.839,1225 0.811,1226 0.99,1227 0.994,1229 1.033,1230 0.619,1231 0.517,1232 0.882,1233 0.862,1235 0.899,1236 3.807,1238 5.153,1239 2.398,1240 6.686,1241 4.844,1242 8.307,1243 7.034,1244 9.977,1246 1.979,1247 5.883,1250 11.516,1255 1.585,1262 22.229,1263 57.265,1264 123.635,1265 135.245,1266 143.245,1267 143.245,1268 143.245,1269 24.581,1270 6.746,1271 93.61,1272 118.91,1273 17,1274 12.342,1275 4.087,1276 3.17,1277 29.988,1278 59,1279 64,1280 0.257,1281 146.234,1282 233.92,1283 348.571,1284 6577,1285 3.1,1286 14.276,1287 0.714,1288 0.611,1289 15.129,1290 12.217,1291 9.542,1292 0.434,1293 0.322,1294 5.926,1295 8.515,1296 5.65,1297 4.689,1298 10.239,1299 7.085,1300 9.108,1301 0.285,1302 0.183,1303 10.185,1304 5.846,1305 7.408,1306 0.176,1307 0.103,1308 8.488,1309 4.308,1310 6.449,1311 0.113,1312 0.053,1313 7.407,1314 3.03,1315 4.903,1316 0.071,1317 0.033,1318 6.158,1319 2.257,1320 0.392,1321 66.31,1322 0.264,1323 19.703,1324 0.732,1325 108,1326 307.311,1327 158.191,1328 359.38,1329 489.72,1330 334,1331 128,1332 335.183,1333 167.465,1334 367.591,1335 539.22,1336 346,1337 4.721}
{0 CHEMBL420224,1 1.778,2 10.125,3 3.872,4 14.99,5 99.076,6 10.37,7 0.654,8 3.747,9 3.867,10 3.575,11 3.339,12 4.987,13 3.331,14 4.209,15 4.361,16 4.017,17 3.739,18 5.469,19 3.707,20 4.421,21 4.564,22 4.323,23 3.912,24 5.691,25 3.854,26 4.5,27 4.687,28 4.123,29 3.826,30 5.766,31 3.741,32 4.542,33 4.802,34 3.651,35 3.688,36 5.588,37 3.575,38 4.323,39 4.56,40 3.551,41 3.581,42 5.381,43 3.45,44 4.168,45 4.388,46 3.611,47 3.502,48 5.253,49 3.393,50 4.095,51 4.307,52 3.79,53 3.443,54 5.31,55 3.341,56 0.14,57 0.584,58 3.544,59 2.515,60 14.56,61 2.718,62 0.284,63 0.87,64 8.911,65 4.753,66 25.447,67 5.728,68 0.429,69 1.005,70 20.371,71 6.008,72 35.892,73 6.501,74 0.508,75 1.065,76 19.187,77 6.807,78 44.23,79 8.221,80 0.617,81 1.024,82 25.317,83 7.027,84 62.249,85 8.192,86 0.449,87 0.804,88 22.233,89 6.552,90 44.155,91 8.152,92 0.333,93 0.692,94 15.508,95 5.28,96 32.746,97 6.378,98 0.352,99 0.581,100 17.422,101 5.335,102 33.194,103 6.637,104 37,105 38,106 0.319,107 0.701,108 0.812,109 0.844,110 0.844,111 0.844,112 3.228,113 0.929,114 -4.89,115 -4.8,116 -4.5,119 40.5,120 1,125 1,139 2,140 3,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 4,172 3,173 3,175 4,178 6,180 1,182 3,187 2,189 4,191 1,192 1,193 5,195 3,196 4,197 1,198 7,200 2,201 5,204 3,205 1,212 2,215 2,218 1,221 2,224 2,225 1,226 2,228 1,229 6,231 2,241 3,246 6,250 1,251 2,253 1,254 5,256 2,260 1,268 2,273 760,274 15.585,275 15.585,276 15.585,277 15.585,278 15.585,279 13.294,280 19.628,281 8.813,282 16.209,283 12.753,284 12.753,285 12.753,286 12.753,287 12.753,288 9.366,289 29.072,290 4.149,291 13.989,292 3.432,293 1.304,294 0.689,295 0.507,296 0.507,297 0.507,298 3.902,299 3,300 1,301 1,302 1,303 515,304 2.646,307 201.521,311 105.959,314 1.469,315 26.687,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 52,327 243,328 4.654,329 3.499,330 6.835,331 4.185,332 3.212,333 4.616,334 0.657,335 11.231,336 3.13,337 4.363,338 3.313,339 6.31,340 3.867,341 2.983,342 4.058,344 9.3,345 2.604,346 3.909,347 2.77,348 5.803,349 3.505,350 2.552,351 3.411,353 7.87,354 2.422,355 3.536,356 2.623,357 5.259,358 3.137,359 2.222,360 2.864,362 6.57,363 1.956,364 3.451,365 2.481,366 5.094,367 2.968,368 2.035,369 2.847,371 5.899,372 1.874,373 3.369,374 2.183,375 5.006,376 2.894,377 1.968,378 2.691,380 5.787,381 1.812,382 3.232,383 2.047,384 4.879,385 2.707,386 1.879,387 2.481,389 5.225,390 1.441,391 2.707,392 1.787,393 4.246,394 2.313,395 1.361,396 1.777,398 3.548,399 1.292,400 2.059,401 1.612,402 3.447,403 1.764,404 0.854,405 0.995,407 2.043,408 0.762,409 1.619,410 0.992,411 3.042,412 1.162,413 0.427,414 0.481,415 0.986,416 0.251,417 1.291,418 0.319,419 2.823,420 0.849,425 1.181,426 0.173,427 2.692,428 0.82,429 -0.12,430 -0.147,431 -0.311,432 -0.114,433 1,434 0.106,435 2.653,436 0.473,437 -0.347,438 -0.445,439 -0.898,440 -0.229,441 0.888,442 -0.231,443 2.487,444 0.452,445 -0.453,446 -0.574,448 -1.161,449 -0.406,450 0.471,451 -0.307,452 2,453 0.154,454 -0.739,455 -0.87,457 -1.891,458 -0.577,459 12.043,460 0.502,461 0.809,462 0.034,463 33.75,464 1.406,465 17.5,466 0.729,467 16.25,468 0.677,469 19.389,470 0.808,471 25.157,472 0.68,473 23.167,474 0.965,475 6.55,476 0.273,477 4.813,478 0.201,479 0.286,481 0.415,485 0.885,486 1.223,487 0.514,488 0.649,489 1.023,490 0.662,491 0.617,492 0.893,493 0.524,494 0.632,495 0.486,496 0.659,497 0.952,498 1.32,499 0.743,500 0.932,501 0.851,502 0.948,503 0.582,504 1.213,505 0.707,506 1.175,507 0.566,508 1.227,509 1.12,510 0.841,511 0.852,512 0.843,513 1.182,514 1.011,515 0.87,516 0.768,517 0.942,518 0.992,519 0.971,520 1.083,521 0.971,522 0.927,523 0.832,524 0.845,525 1.023,526 0.947,527 0.813,528 0.956,529 0.892,530 0.88,531 0.766,532 0.823,533 6,534 0.14,535 3.333,536 2.5,537 1.973,538 0.639,539 0.384,540 0.451,541 0.234,542 0.258,543 6150,544 24704,545 1.991,546 35.1,547 3,548 4,550 1,551 5,555 1.667,556 1.8,557 3.278,558 2.743,560 1,564 65.776,565 1.778,566 3.906,567 4.52,568 4.703,569 4.703,570 4.703,571 2.736,572 3.855,573 4.561,574 3.434,575 947.729,576 7.855,577 11090.9,579 1,581 1,582 192.75,583 1.555,584 4.478,585 0.231,586 0.009,587 0.088,588 0.061,589 0.058,590 0.027,591 0.017,592 0.021,593 0.01,594 0.014,595 0.536,596 0.17,597 1,598 0.691,599 114.022,600 -0.209,601 -0.019,602 -0.023,603 0.114,604 -0.291,605 0.094,606 0.125,607 0.224,608 0.11,609 0.215,610 0.198,611 0.198,612 -0.051,613 -0.255,614 0.11,615 -0.037,616 -0.035,617 -0.084,618 0.248,619 -0.186,620 0.045,621 -0.281,622 0.252,623 -0.304,624 -0.25,625 0.132,626 -0.088,627 0.09,628 -0.272,630 -0.034,631 0.149,632 -0.079,633 0.006,634 -0.1,635 -0.019,636 -0.141,637 0.019,638 0.012,639 0.133,640 -0.17,641 0.083,642 0.166,643 -0.082,644 0.195,645 0.181,646 0.228,647 0.26,648 1.566,649 1.949,650 0.667,651 18.639,652 1.027,653 1.132,654 3.661,655 13.405,656 0.741,657 3.296,658 3.664,659 3.932,660 4.174,661 4.357,662 4.407,663 4.382,664 4.489,665 4.575,666 4.625,667 5.93,668 0.709,669 383.69,670 3.296,671 4.86,672 5.72,673 6.613,674 7.486,675 8.381,676 9.258,677 10.153,678 11.032,679 11.929,680 16.2,684 2,685 1,690 3,694 2,695 3,696 3,700 8,702 17,711 2,712 1,717 3,718 37,719 17,720 1,721 26,723 39,724 15,725 13,726 4,727 2,729 3,730 4,731 3,734 1,741 13,742 2,754 1,757 13,758 6,759 5,760 9,761 3,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,807 3,810 24,811 2,816 1,817 1,828 3,836 13.333,837 6.945,838 5.167,839 1.945,840 3.36,841 1.474,842 1.013,843 4.873,844 10.454,845 3.57,846 4.277,847 4.898,848 5.5,849 6.056,850 6.333,851 6.576,852 6.944,853 7.333,854 7.473,855 0.857,856 41,857 8.754,859 3.723,860 7.917,861 16.235,863 13.09,865 2.417,866 58,870 94.169,871 67.076,872 134.162,873 117.446,877 67.076,878 211.615,879 134.162,880 8.825,881 2.106,882 84.747,883 80.138,884 32.965,885 4.227,886 82.398,887 117.446,888 94.169,889 201.238,891 117.446,893 95.884,897 21.877,898 109.277,899 185.813,901 94.169,902 134.162,903 184.522,906 94.169,907 30.251,908 36.825,909 18.011,910 233.597,911 94.169,912 134.162,913 184.522,915 0.601,916 0.359,917 0.186,918 0.094,919 19,920 10,921 0.077,922 3,923 1,924 1.125,925 3.496,926 195.143,927 0.125,928 16,929 104.039,933 17.296,934 6.762,935 3.472,936 1.162,937 134.162,938 5.13,939 12.385,943 4.109,945 83.805,946 412.852,947 34.5,956 38,957 41.898,958 0.341,959 0.75,960 0.868,961 0.903,962 0.903,963 0.903,964 4.822,965 1.361,966 5.746,967 5.225,968 4.344,969 4.963,970 0.623,971 6.592,972 4.171,973 6.085,974 0.854,975 7.34,976 3.548,977 4.111,978 5.007,980 7.551,981 3.822,982 7.431,983 0.427,984 9.029,985 2.043,986 5.984,987 7.295,988 0.317,989 10.658,990 5.696,991 8.811,993 10.771,994 0.986,995 6.494,996 8.092,998 12.406,999 6.112,1000 10.218,1001 -0.12,1002 12.546,1004 7.903,1005 9.918,1006 0.149,1007 15.067,1008 7.521,1009 11.644,1010 -0.347,1011 14.345,1012 -0.311,1013 8.755,1014 11.079,1016 17.173,1017 8.31,1018 13.087,1019 -0.453,1020 16.163,1021 -0.898,1022 9.992,1023 12.72,1024 0.067,1025 19.672,1026 9.536,1027 3.212,1028 -0.739,1029 17.995,1030 -1.161,1031 11.004,1032 14.063,1034 21.944,1035 10.506,1036 2.983,1037 11.231,1038 19.84,1039 -1.891,1040 12.178,1041 15.626,1042 0.03,1043 24.382,1044 11.663,1045 2.552,1046 9.3,1047 21.695,1048 4.616,1049 13.263,1050 17.058,1052 26.73,1053 12.718,1054 2.222,1055 7.87,1056 23.56,1057 4.058,1058 14.415,1059 18.59,1060 0.013,1061 29.147,1062 13.853,1063 2.035,1064 6.57,1065 25.431,1066 3.411,1067 15.533,1068 20.066,1070 31.529,1071 14.949,1072 1.968,1073 5.899,1074 27.309,1075 2.864,1076 16.68,1077 21.587,1078 0.006,1079 33.941,1080 16.078,1081 1.879,1082 5.787,1083 29.192,1084 2.847,1085 17.815,1086 23.085,1088 36.34,1089 17.194,1090 6056,1091 12295,1092 16.531,1093 27.415,1094 39.264,1095 40.785,1096 41.38,1097 39.158,1098 38.989,1099 52.443,1100 1.315,1101 116.916,1102 35.087,1103 5.486,1104 5.499,1105 6.183,1106 5.26,1107 5.212,1108 7.616,1109 1.315,1110 18.467,1111 5.13,1112 15.082,1113 1.51,1114 1.569,1115 1.592,1116 1.506,1117 1.5,1118 2.017,1119 0.051,1120 4.497,1121 1.349,1122 4.072,1123 4.112,1124 4.194,1125 3.963,1126 5.322,1127 3.977,1128 3.908,1129 3.924,1130 4.038,1131 3.861,1132 5.105,1133 3.853,1134 3.548,1135 3.612,1136 3.582,1137 3.364,1138 4.981,1139 3.386,1140 3.221,1141 3.309,1142 3.517,1143 3.017,1144 4.807,1145 3.018,1146 3.139,1147 3.232,1148 3.358,1149 2.903,1150 4.632,1151 2.92,1152 3.023,1153 3.152,1154 3.182,1155 2.849,1156 4.451,1157 2.815,1158 2.901,1159 2.918,1160 3.05,1161 2.707,1162 4.301,1163 2.724,1164 2.809,1165 2.862,1166 2.844,1167 2.661,1168 4.132,1169 2.659,1170 0.179,1171 0.135,1172 0.263,1173 0.161,1174 0.124,1175 4.654,1176 0.178,1177 3.499,1178 0.025,1179 6.835,1180 0.432,1181 4.185,1182 0.12,1183 3.212,1184 4.616,1185 0.657,1186 11.231,1187 3.13,1188 1.998,1189 1.967,1190 2.06,1191 2.132,1192 1.228,1193 2.111,1194 1.863,1195 1.852,1196 1.887,1197 1.94,1198 1.053,1199 1.944,1200 1.477,1201 1.418,1202 1.618,1203 1.694,1204 0.729,1205 1.684,1206 1.192,1207 1.105,1208 1.52,1209 1.448,1210 0.559,1211 1.476,1212 1.041,1213 0.964,1214 1.269,1215 1.357,1216 0.187,1217 1.343,1218 0.946,1219 0.827,1220 1.249,1221 1.325,1222 0.105,1223 1.323,1224 0.849,1225 0.826,1226 1,1227 0.962,1229 1.004,1230 0.749,1231 0.704,1232 0.922,1233 0.957,1235 0.965,1236 3.97,1238 5.323,1240 6.872,1242 8.518,1244 10.214,1246 1.929,1247 18.012,1250 11.547,1252 0.493,1253 3.232,1262 26.245,1263 65.776,1264 144.511,1265 167.24,1266 173.995,1267 173.995,1268 173.995,1269 40.354,1270 7.093,1271 102.74,1272 102.74,1273 18,1274 12.457,1275 4.17,1276 3.248,1277 39.418,1278 86,1279 74,1280 0.228,1281 174.821,1282 288.79,1283 418.322,1284 10798,1285 8.1,1286 17.43,1287 0.726,1288 0.618,1289 18.93,1290 14.837,1291 11.363,1292 0.437,1293 0.31,1294 6.925,1295 10.202,1296 6.635,1297 5.479,1298 12.229,1299 8.055,1300 10.816,1301 0.285,1302 0.168,1303 11.891,1304 6.374,1305 9.091,1306 0.182,1307 0.096,1308 10.588,1309 4.798,1310 7.52,1311 0.118,1312 0.046,1313 8.366,1314 2.962,1315 5.449,1316 0.071,1317 0.023,1318 5.934,1319 1.767,1320 0.356,1321 80.007,1322 0.246,1323 23.328,1324 0.625,1325 128,1326 398.503,1327 184.438,1328 485.641,1329 635.14,1330 448,1331 152,1332 405.067,1333 206.193,1334 443.086,1335 650.91,1336 415,1337 7.481}
{0 CHEMBL420332,1 1.58,2 11.852,3 1.909,4 3.643,5 106.275,6 6.917,7 0.414,8 4.085,9 4.219,10 3.574,11 3.505,12 5.178,13 3.501,14 4.629,15 4.823,16 3.9,17 3.89,18 5.638,19 3.858,20 4.816,21 5.012,22 4.032,23 4.075,24 5.796,25 4.016,26 4.981,27 5.213,28 3.996,29 4.112,30 5.937,31 4.023,32 5.046,33 5.291,34 3.798,35 4.07,36 5.947,37 3.95,38 4.97,39 5.247,40 3.551,41 3.974,42 5.794,43 3.798,44 4.886,45 5.21,46 3.415,47 3.831,48 5.564,49 3.646,50 4.643,51 4.924,52 3.436,53 3.694,54 5.445,55 3.565,56 0.066,57 0.783,58 12.666,59 4.508,60 13.512,61 6.534,62 0.397,63 1.174,64 23.567,65 7.746,66 35.595,67 10.984,68 0.419,69 1.437,70 27.913,71 9.129,72 30.828,73 13.836,74 0.455,75 1.543,76 33.724,77 10.288,78 47.882,79 15.967,80 0.752,81 1.486,82 37.465,83 10.156,84 61.674,85 15.895,86 0.611,87 1.351,88 34.554,89 10.322,90 56.801,91 16.033,92 0.457,93 1.166,94 32.312,95 9.273,96 43.262,97 15.101,98 0.355,99 0.988,100 24.77,101 7.453,102 34.48,103 11.569,104 35,105 40,106 0.265,107 0.58,108 0.761,109 0.795,110 0.803,111 0.829,112 3.339,113 0.926,114 -2.96,115 -2.96,116 -2.86,119 35.2,121 3,122 1,124 3,125 2,139 2,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 5,172 3,173 3,175 3,178 5,180 1,181 2,182 7,187 5,189 2,191 1,192 1,193 6,195 1,196 1,197 1,198 6,200 2,201 1,204 4,205 1,207 1,210 2,212 3,215 4,218 3,224 3,225 1,226 1,228 1,229 6,231 1,234 2,241 4,246 7,250 1,251 1,253 1,256 1,260 10,265 2,270 2,273 1037,274 18.35,275 18.35,276 18.35,277 18.35,278 18.35,279 16.797,280 28.484,281 10.667,282 19.095,283 14.119,284 14.119,285 14.119,286 14.119,287 14.119,288 11.546,289 37.014,290 4.784,291 15.033,292 4.175,293 2.302,294 1.223,295 1.024,296 0.973,297 0.82,298 4.021,300 1,301 1,302 1,303 674,304 3.24,307 247.226,311 130.141,314 1.657,315 25.615,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 59.5,327 320,328 4.42,329 3.378,330 6.523,331 4.048,332 3.079,333 4.104,334 0.86,335 10.257,336 2.99,337 4.416,338 3.268,339 6.502,340 4.007,341 3.06,342 4.091,343 0.86,344 10.174,345 2.894,346 3.597,347 2.657,348 5.332,349 3.398,350 2.431,351 2.883,352 0.86,353 6.918,354 2.35,355 3.546,356 2.555,357 5.273,358 3.232,359 2.262,360 2.833,361 0.657,362 6.719,363 2.187,364 3.355,365 2.464,366 5.19,367 2.976,368 2.061,369 2.604,371 6.118,372 1.899,373 3.331,374 2.222,375 5.062,376 2.972,377 2.042,378 2.564,380 5.803,381 1.867,382 3.221,383 2.162,384 4.97,385 2.912,386 1.962,387 2.305,389 5.754,390 1.858,391 2.314,392 1.969,393 3.828,394 2.14,395 1.246,396 1.305,398 2.78,399 1.113,400 2.115,401 1.43,402 3.71,403 1.982,404 1.056,405 1.099,407 2.565,408 0.978,409 2.077,410 1.291,411 3.413,412 1.907,413 1,414 1.054,415 2.16,416 0.892,417 1.576,418 1.009,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.436,426 0.916,427 2.856,428 1.224,429 0.351,430 0.372,431 0.584,432 0.3,433 1.336,434 0.442,435 2.66,436 1.103,437 0.186,438 0.205,439 0.344,440 0.172,441 1.026,442 0.17,443 2.513,444 0.759,445 -0.175,446 -0.2,448 -0.387,449 -0.163,450 0.86,451 -0.087,452 2.483,453 0.483,454 -0.441,455 -0.542,457 -1.041,458 -0.404,459 12.5,460 0.463,461 0.622,462 0.023,463 32.5,464 1.204,465 14.5,466 0.537,467 18,468 0.667,469 24.208,470 0.897,471 31.3,472 0.58,473 24.009,474 0.889,475 6.489,476 0.24,477 6.561,478 0.243,479 0.184,481 0.36,485 1.017,486 1.459,487 0.889,488 1.261,489 1.119,490 1.067,491 1.213,492 0.888,493 0.885,494 0.869,495 0.787,496 0.837,497 0.777,498 1.313,499 0.947,500 1.206,501 0.748,502 1.114,503 0.831,504 1.229,505 1.018,506 1.24,507 0.792,508 1.166,509 1.403,510 1.027,511 1.284,512 1.048,513 1.382,514 1.14,515 0.915,516 0.933,517 1.169,518 1.099,519 1.061,520 1.175,521 0.693,522 0.751,523 0.8,524 0.777,525 0.688,526 0.8,527 0.869,528 0.805,529 0.902,530 0.889,531 0.909,532 0.895,533 6,534 0.227,535 2.889,536 2.188,537 2.022,538 0.819,539 0.303,540 0.255,541 0.287,542 0.148,543 9057,544 24355,545 2.014,546 50,547 4,548 15,551 5,552 2,553 1,555 1.696,556 1.862,557 3.498,558 2.547,559 1,560 1,564 85.307,565 1.58,566 3.453,567 4.532,568 4.731,569 4.782,570 4.935,571 2.893,572 4.236,573 4.732,574 3.67,575 1288.29,576 8.185,577 17171.4,579 1,581 1,582 310.764,583 1.487,584 4.672,585 0.207,586 0.01,587 0.072,588 0.05,589 0.051,590 0.026,591 0.013,592 0.012,593 0.012,594 0.006,595 0.459,596 0.17,597 1,598 0.979,599 135.813,600 -0.099,601 -0.121,602 0.042,603 -0.065,604 -0.12,605 0.013,606 -0.065,607 0.236,608 0.101,609 0.209,610 0.127,611 0.18,612 0.11,613 -0.156,614 -0.003,615 -0.102,616 0.062,617 -0.071,618 0.047,619 -0.16,620 -0.061,621 -0.209,622 0.08,623 -0.158,624 -0.212,625 -0.051,626 -0.278,627 -0.086,628 -0.276,629 -0.184,630 -0.049,631 0.01,632 -0.204,633 -0.127,634 -0.152,635 -0.191,636 0.007,637 0.083,638 0.159,639 0.158,640 0.003,641 0.186,642 -0.034,643 0.127,644 0.063,645 0.091,646 -0.06,647 0.099,648 1.412,649 2.024,650 0.593,651 23.904,652 1.004,653 1.142,654 1.732,655 2.998,656 0.625,657 3.401,658 3.714,659 3.989,660 4.248,661 4.443,662 4.431,663 4.431,664 4.419,665 4.511,666 4.489,667 6.975,668 0.593,669 373.51,670 3.401,671 4.934,672 5.784,673 6.663,674 7.528,675 8.409,676 9.278,677 10.16,678 11.03,679 11.911,680 9.3,682 1,684 2,690 2,695 2,696 2,700 8,702 12,711 2,716 3,718 54,719 12,720 1,721 29,723 56,724 19,725 10,726 4,727 2,729 3,730 4,736 3,737 1,739 3,741 10,742 9,743 1,753 1,754 1,757 27,758 8,759 5,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,798 1,802 2,806 3,810 27,811 2,816 5,817 1,818 3,820 1,829 5.6,834 3,836 14.5,837 10.317,838 6.194,839 2.95,840 2.238,841 1.307,842 0.952,843 6.495,844 9.538,845 3.584,846 4.159,847 4.705,848 5.23,849 5.691,850 5.783,851 5.791,852 5.799,853 5.96,854 5.975,855 0.875,856 44,857 9.935,859 4.069,860 7.691,861 19.072,863 15.249,865 2.191,866 59.167,870 258.964,871 92.502,872 117.376,874 33,877 92.502,878 291.964,879 117.376,880 32.649,881 11.815,882 102.758,883 33.571,884 57.858,885 4.227,886 258.964,888 258.964,889 209.878,890 33,893 247.193,894 44.771,897 34.482,898 141.825,899 33.571,901 258.964,902 150.376,903 92.502,906 258.964,907 40.9,908 51.602,909 18.011,910 132.365,911 258.964,912 150.376,913 92.502,915 0.572,916 0.352,917 0.201,918 0.108,919 18,920 9,921 0.125,922 7,923 1,924 1.125,925 3.843,926 221.289,927 0.125,928 16,929 120.382,933 19.829,934 8.844,935 4.499,937 150.376,938 3.915,939 8.406,943 5.761,945 83.805,946 501.842,947 35,956 54.211,957 61.687,958 0.275,959 0.6,960 0.787,961 0.822,962 0.831,963 0.858,964 4.828,965 1.246,966 5.771,967 5.754,968 4.394,969 4.844,970 1.841,971 6.586,972 4.285,973 6.022,974 1.056,975 7.335,976 2.78,977 4.007,978 4.745,980 7.496,981 3.872,982 7.334,983 1,984 8.995,985 2.565,986 5.994,987 7.022,988 1.538,989 10.579,990 5.806,991 8.679,992 0.396,993 10.71,994 2.16,995 6.399,996 7.706,998 12.288,999 6.174,1000 10.056,1001 0.351,1002 12.461,1003 0.603,1004 7.861,1005 9.502,1006 1.278,1007 14.899,1008 7.602,1009 11.454,1010 0.186,1011 14.237,1012 0.584,1013 8.643,1014 10.549,1016 16.957,1017 8.34,1018 12.868,1019 -0.175,1020 16.031,1021 0.344,1022 9.896,1023 12.147,1024 1.053,1025 19.397,1026 9.563,1027 3.079,1028 -0.441,1029 17.84,1030 -0.387,1031 10.861,1032 13.374,1034 21.608,1035 10.481,1036 3.06,1037 10.257,1038 19.661,1039 -1.041,1040 12.03,1041 14.881,1042 0.858,1043 23.981,1044 11.619,1045 2.431,1046 10.174,1047 21.491,1048 4.104,1049 13.08,1050 16.198,1052 26.256,1053 12.624,1054 2.262,1055 6.918,1056 23.329,1057 4.091,1058 14.217,1059 17.66,1060 0.691,1061 28.602,1062 13.727,1063 2.061,1064 6.719,1065 25.174,1066 2.883,1067 15.305,1068 19.022,1070 30.905,1071 14.772,1072 2.042,1073 6.118,1074 27.024,1075 2.833,1076 16.43,1077 20.46,1078 0.549,1079 33.238,1080 15.862,1081 1.962,1082 5.803,1083 28.879,1084 2.604,1085 17.536,1086 21.845,1088 35.553,1089 16.927,1090 8895,1091 14685,1092 18.898,1093 33.767,1094 42.099,1095 43.64,1096 44.828,1097 42.134,1098 42.27,1099 51.742,1100 6.475,1101 121.555,1102 39.684,1103 5.366,1104 5.378,1105 6.077,1106 5.12,1107 5.079,1108 7.104,1109 1.72,1110 17.177,1111 4.99,1112 15.448,1113 1.452,1114 1.505,1115 1.546,1116 1.453,1117 1.458,1118 1.784,1119 0.223,1120 4.192,1121 1.368,1122 4.011,1123 4.055,1124 3.953,1125 3.896,1126 5.282,1127 3.903,1128 3.933,1129 3.95,1130 3.892,1131 3.832,1132 4.979,1133 3.842,1134 3.609,1135 3.681,1136 3.506,1137 3.408,1138 4.972,1139 3.426,1140 3.384,1141 3.455,1142 3.251,1143 3.155,1144 4.58,1145 3.17,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.478,1151 3.026,1152 3.221,1153 3.298,1154 3.032,1155 2.993,1156 4.461,1157 2.987,1158 3.181,1159 3.27,1160 2.998,1161 2.901,1162 4.319,1163 2.904,1164 3.124,1165 3.228,1166 2.941,1167 2.857,1168 4.083,1169 2.865,1170 0.152,1171 0.116,1172 0.225,1173 0.14,1174 0.106,1175 4.42,1176 0.142,1177 3.378,1178 0.03,1179 6.523,1180 0.354,1181 4.048,1182 0.103,1183 3.079,1184 4.104,1185 0.86,1186 10.257,1187 2.99,1188 1.949,1189 1.91,1190 2.092,1191 2.092,1192 1.452,1193 2.092,1194 1.889,1195 1.873,1196 1.979,1197 2.012,1198 1.159,1199 2,1200 1.544,1201 1.479,1202 1.704,1203 1.787,1204 0.873,1205 1.77,1206 1.325,1207 1.26,1208 1.594,1209 1.601,1210 0.748,1211 1.604,1212 1.227,1213 1.163,1214 1.59,1215 1.558,1216 0.653,1217 1.565,1218 1.187,1219 1.107,1220 1.567,1221 1.506,1222 0.584,1223 1.526,1224 1.16,1225 1.074,1226 1.512,1227 1.43,1228 0.57,1229 1.46,1230 1.071,1231 0.973,1232 1.386,1233 1.391,1234 0.51,1235 1.392,1236 4.078,1238 5.389,1240 6.909,1242 8.531,1244 10.206,1246 4.836,1250 11.71,1252 4.366,1253 3.515,1254 16.176,1256 0.481,1262 32.046,1263 85.307,1264 186.451,1265 244.725,1266 255.48,1267 258.235,1268 266.499,1269 46.362,1270 7.3,1271 117.54,1272 117.54,1273 18,1274 12.448,1275 3.7,1276 2.807,1277 47.296,1278 117,1279 98,1280 0.2,1281 199.241,1282 343.91,1283 477.907,1284 14827,1286 19.389,1287 0.718,1288 0.594,1289 19.389,1290 16.041,1291 13.05,1292 0.45,1293 0.309,1294 8.758,1295 12.322,1296 8.468,1297 7.083,1298 13.05,1299 8.956,1300 11.334,1301 0.283,1302 0.167,1303 11.334,1304 6.666,1305 9.595,1306 0.181,1307 0.093,1308 9.595,1309 4.911,1310 8.257,1311 0.12,1312 0.052,1313 8.257,1314 3.563,1315 6.515,1316 0.078,1317 0.03,1318 6.515,1319 2.561,1320 0.322,1321 83.537,1322 0.23,1323 26.195,1324 0.529,1325 138,1326 417.454,1327 154.407,1328 392.813,1329 535.98,1330 370,1331 162,1332 390.087,1333 178.85,1334 397.733,1335 576.96,1336 368,1337 4.896}
{0 CHEMBL420384,1 1.438,2 13.815,3 5.17,4 26.726,5 111.924,6 6.315,7 0.429,8 4.127,9 4.272,10 3.529,11 3.588,12 5.149,13 3.543,14 4.674,15 4.884,16 3.794,17 3.943,18 5.613,19 3.852,20 4.906,21 5.158,22 3.838,23 4.065,24 5.745,25 3.949,26 4.957,27 5.217,28 3.761,29 4.074,30 5.812,31 3.934,32 4.964,33 5.238,34 3.732,35 4.062,36 5.766,37 3.907,38 4.929,39 5.207,40 3.764,41 3.993,42 5.778,43 3.856,44 4.858,45 5.115,46 3.687,47 3.915,48 5.754,49 3.788,50 4.794,51 5.066,52 3.486,53 3.848,54 5.635,55 3.694,56 0.07,57 0.823,58 14.397,59 5.411,60 12.223,61 7.903,62 0.291,63 1.22,64 25.072,65 9.179,66 30.751,67 13.107,68 0.275,69 1.418,70 31.369,71 10.548,72 30.279,73 15.959,74 0.382,75 1.446,76 33.106,77 11.105,78 43.556,79 16.629,80 0.387,81 1.426,82 33.063,83 11.271,84 38.14,85 17.094,86 0.427,87 1.347,88 32.166,89 10.424,90 42.612,91 15.98,92 0.49,93 1.248,94 30.422,95 9.416,96 45.528,97 14.342,98 0.375,99 1.186,100 28.263,101 8.649,102 38.501,103 13.523,104 29,105 35,106 0.238,107 0.523,108 0.712,109 0.801,110 0.858,111 0.885,112 3.339,113 1.05,114 -5.83,115 -5.69,116 -5.3,119 35.6,120 1,121 8,124 1,125 1,139 3,140 2,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 11,169 1,170 7,172 3,173 3,175 1,178 10,180 1,182 8,187 1,189 9,191 1,193 5,195 1,196 1,197 1,198 2,200 2,201 8,204 2,205 1,206 1,207 4,212 2,215 8,218 2,220 2,221 3,223 1,224 1,226 2,229 7,231 2,233 2,234 4,236 1,237 1,239 2,241 7,243 2,246 2,248 1,249 1,251 1,254 6,256 1,260 4,262 1,263 1,265 2,268 6,270 2,273 1353,274 18.413,275 18.413,276 18.413,277 18.413,278 18.413,279 16.861,280 19.989,281 11.576,282 18.903,283 13.758,284 13.758,285 13.758,286 13.758,287 13.758,288 11.405,289 26.407,290 5.46,291 14.452,292 4.445,293 2.719,294 1.579,295 1.042,296 0.695,297 0.534,298 4.009,301 1,302 1,303 760,304 3.742,307 199.581,314 2.132,315 20.381,318 0.75,319 0.67,320 0.83,321 1,322 1,323 0.83,324 0.5,325 0.8,326 58,327 373,328 4.331,329 3.264,330 6.251,331 3.951,332 2.98,333 3.975,334 0.86,335 9.444,336 2.894,337 4.161,338 2.951,339 5.984,340 3.715,341 2.765,342 3.813,343 0.86,344 8.479,345 2.627,346 3.571,347 2.732,348 5.253,349 3.202,350 2.283,351 2.883,352 0.68,353 6.647,354 2.091,355 3.44,356 2.324,357 4.963,358 3.023,359 2.101,360 2.746,362 5.821,363 1.931,364 2.928,365 1.965,366 4.42,367 2.891,368 1.894,369 2.074,371 4.275,372 1.886,373 2.902,374 1.901,375 4.075,376 2.599,377 1.614,378 1.904,380 3.78,381 1.591,382 2.773,383 1.706,384 3.898,385 2.544,386 1.593,387 1.889,389 3.498,390 1.509,391 2.631,392 1.494,393 3.619,394 2.294,395 1.346,396 1.632,398 3.167,399 1.271,400 2.235,401 1.352,402 3.245,403 2.172,404 1.201,405 1.23,407 2.303,408 1.161,409 1.906,410 1.081,411 3.111,412 1.704,413 0.772,414 0.844,415 1.451,416 0.712,417 1.687,418 0.816,419 2.864,420 1.525,421 0.591,422 0.638,423 1.119,424 0.547,425 1.536,426 0.615,427 2.664,428 1.255,429 0.326,430 0.382,431 0.675,432 0.301,433 1.176,434 0.294,435 2.36,436 1.069,437 0.123,438 0.127,439 0.208,440 0.115,441 0.957,442 0.067,443 2.357,444 0.663,445 -0.274,446 -0.309,448 -0.495,449 -0.254,450 0.798,451 -0.22,452 2.221,453 0.556,454 -0.413,455 -0.463,457 -0.878,458 -0.399,459 12.767,460 0.473,461 0.451,462 0.017,463 30.5,464 1.13,465 14,466 0.519,467 16.5,468 0.611,469 25.425,470 0.942,471 31.633,472 0.536,473 20.822,474 0.771,475 5.49,476 0.203,477 7.645,478 0.283,479 0.141,481 0.235,485 0.999,486 1.407,487 1,488 1.278,489 1.137,490 1.151,491 1.021,492 1.059,493 0.981,494 1.135,495 0.635,496 1.079,497 1.06,498 1.099,499 0.936,500 1.047,501 0.8,502 0.989,503 1.117,504 0.987,505 1.056,506 1.057,507 0.974,508 1.056,509 0.802,510 1.037,511 0.929,512 1.048,513 0.797,514 1.014,515 0.821,516 0.991,517 0.831,518 0.977,519 0.704,520 0.92,521 1.302,522 1.048,523 1.018,524 1.008,525 0.934,526 0.998,527 1.23,528 1.006,529 1.14,530 1.034,531 1.22,532 1.068,533 4.5,534 0.091,535 2.222,536 1.125,537 1.227,538 0.611,539 0.467,540 0.335,541 0.222,542 0.127,543 9208,544 19586,545 1.975,546 54.2,547 17,548 8,550 1,551 4,553 2,555 1.697,556 1.862,557 3.697,558 1.661,564 84.837,565 1.438,566 3.163,567 4.303,568 4.841,569 5.187,570 5.349,571 3.236,572 4.607,573 4.714,574 3.88,575 1361.99,576 8.172,577 18876.3,582 347.076,583 1.311,584 4.691,585 0.161,586 0.005,587 0.063,588 0.031,589 0.038,590 0.02,591 0.015,592 0.012,593 0.01,594 0.006,595 0.361,597 0.75,598 2.271,599 138.111,600 -0.051,601 -0.061,602 0.029,603 -0.039,604 -0.079,605 0.005,606 0.087,607 0.071,608 0.033,609 -0.021,610 0.242,611 -0.012,612 -0.039,613 -0.069,614 0.056,615 -0.004,616 0.056,617 0.033,618 -0.051,619 0.025,620 -0.063,621 -0.039,622 0.009,623 -0.052,624 0.096,625 -0.066,626 0.037,627 -0.028,628 0.046,629 -0.005,630 0.197,631 -0.034,632 0.151,633 0.012,634 0.21,635 0.067,636 0.072,637 -0.083,638 0.008,639 -0.024,640 0.122,641 -0.024,642 -0.094,643 -0.012,644 -0.137,645 -0.067,646 -0.129,647 -0.1,648 1.491,649 2.423,650 0.444,651 33.457,652 0.99,653 1.139,654 4.602,655 21.174,656 0.62,657 3.367,658 3.584,659 3.761,660 3.932,661 4.127,662 4.143,663 4.143,664 4.19,665 4.248,666 4.19,667 7.747,668 0.574,669 372.57,670 3.367,671 4.844,672 5.638,673 6.463,674 7.283,675 8.121,676 8.954,677 9.8,678 10.642,679 11.494,680 6.8,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 2,718 59,719 12,720 1,721 28,723 60,724 21,725 10,726 3,727 3,729 2,730 2,734 1,739 8,741 10,742 11,757 32,758 6,759 4,760 6,764 4,769 1,770 2,776 1,781 2,802 2,806 2,810 27,811 2,816 9,818 2,829 3.4,834 2,836 14.5,837 10.733,838 6.389,839 3.869,840 2.257,841 1.332,842 0.932,843 9.363,844 9.065,845 3.555,846 4.043,847 4.516,848 4.999,849 5.517,850 5.615,851 5.783,852 6.118,853 6.45,854 6.646,855 1,856 36,857 9.965,859 3.929,860 7.593,861 19.462,863 15.115,865 2.093,866 56.5,869 1,870 329.591,871 103.138,872 99.365,874 22,877 103.138,878 351.591,879 99.365,880 19.708,881 24.869,882 94.223,883 45.342,884 47.905,885 4.227,886 317.82,888 329.591,889 202.504,890 22,893 306.049,894 45.542,897 44.64,898 124.292,899 33.571,901 329.591,902 121.365,903 103.138,906 329.591,907 45.954,908 57.184,910 121.365,911 329.591,912 121.365,913 103.138,915 0.547,916 0.307,917 0.158,918 0.086,919 12,920 6,921 0.2,922 12,924 1,925 4.007,926 200.586,928 12,929 128.382,933 21.456,934 11.782,935 7.354,937 121.365,938 7.509,939 8.042,943 3.983,945 65.794,946 554.094,947 34,956 58.432,957 67.225,958 0.244,959 0.538,960 0.732,961 0.823,962 0.882,963 0.909,964 4.736,965 1.346,966 5.565,967 3.498,968 4.263,969 4.727,970 1.586,971 6.267,972 4.169,973 5.879,974 1.201,975 7.054,976 3.167,977 3.611,978 4.407,980 6.969,981 3.461,982 7.142,983 0.772,984 8.646,985 2.303,986 5.74,987 6.822,988 1.285,989 10.04,990 5.563,991 8.445,992 0.591,993 10.303,994 1.451,995 5.943,996 7.341,998 11.598,999 5.708,1000 9.784,1001 0.326,1002 12.001,1003 1.119,1004 7.488,1005 9.225,1006 1.035,1007 14.158,1008 7.237,1009 11.148,1010 0.123,1011 13.728,1012 0.675,1013 8.124,1014 10.136,1016 16.075,1017 7.824,1018 12.531,1019 -0.274,1020 15.475,1021 0.208,1022 9.408,1023 11.783,1024 0.828,1025 18.441,1026 9.09,1027 2.98,1028 -0.413,1029 17.238,1030 -0.495,1031 10.266,1032 12.895,1034 20.521,1035 9.907,1036 2.765,1037 9.444,1038 19.012,1039 -0.878,1040 11.43,1041 14.42,1042 0.656,1043 22.807,1044 11.051,1045 2.283,1046 8.479,1047 20.794,1048 3.975,1049 12.399,1050 15.64,1052 24.964,1053 11.985,1054 2.101,1055 6.647,1056 22.584,1057 3.813,1058 13.51,1059 17.098,1060 0.515,1061 27.216,1062 13.073,1063 1.894,1064 5.821,1065 24.379,1066 2.883,1067 14.533,1068 18.38,1070 29.41,1071 14.065,1072 1.614,1073 4.275,1074 26.178,1075 2.746,1076 15.623,1077 19.8,1078 0.401,1079 31.649,1080 15.13,1081 1.593,1082 3.78,1083 27.981,1084 2.074,1085 16.673,1086 21.118,1088 33.862,1089 16.15,1090 9384,1091 14034,1092 18.375,1093 36.591,1094 39.059,1095 39.791,1096 40.689,1097 39.19,1098 39.174,1099 48.274,1100 4.8,1101 101.737,1102 37.272,1103 5.273,1104 5.264,1105 6.227,1106 5.02,1107 4.98,1108 6.975,1109 1.72,1110 15.9,1111 4.894,1112 14.143,1113 1.395,1114 1.421,1115 1.453,1116 1.4,1117 1.399,1118 1.724,1119 0.171,1120 3.633,1121 1.331,1122 3.989,1123 4.019,1124 3.94,1125 3.896,1126 5.291,1127 3.902,1128 3.812,1129 3.866,1130 3.768,1131 3.671,1132 4.98,1133 3.672,1134 3.782,1135 3.836,1136 3.621,1137 3.645,1138 4.898,1139 3.647,1140 3.606,1141 3.675,1142 3.427,1143 3.462,1144 4.574,1145 3.443,1146 3.368,1147 3.439,1148 3.192,1149 3.179,1150 4.447,1151 3.165,1152 3.24,1153 3.31,1154 3.076,1155 3.013,1156 4.226,1157 3.02,1158 3.205,1159 3.291,1160 3.037,1161 2.961,1162 4.136,1163 2.972,1164 3.03,1165 3.137,1166 2.846,1167 2.805,1168 3.964,1169 2.781,1170 0.155,1171 0.117,1172 0.223,1173 0.141,1174 0.106,1175 4.331,1176 0.142,1177 3.264,1178 0.031,1179 6.251,1180 0.337,1181 3.951,1182 0.103,1183 2.98,1184 3.975,1185 0.86,1186 9.444,1187 2.894,1188 1.932,1189 1.912,1190 2.059,1191 2.05,1192 1.41,1193 2.043,1194 1.803,1195 1.742,1196 2.023,1197 1.964,1198 1.232,1199 1.995,1200 1.73,1201 1.687,1202 1.915,1203 1.915,1204 1.201,1205 1.898,1206 1.628,1207 1.56,1208 1.815,1209 1.809,1210 0.963,1211 1.841,1212 1.372,1213 1.297,1214 1.696,1215 1.601,1216 0.862,1217 1.634,1218 1.192,1219 1.122,1220 1.567,1221 1.503,1222 0.663,1223 1.526,1224 1.161,1225 1.086,1226 1.441,1227 1.427,1228 0.571,1229 1.429,1230 1.044,1231 0.949,1232 1.394,1233 1.32,1234 0.405,1235 1.355,1236 4.043,1238 5.283,1240 6.715,1242 8.248,1244 9.839,1246 3.895,1250 11.52,1252 10.164,1254 11.387,1262 33.89,1263 84.837,1264 186.63,1265 253.899,1266 285.592,1267 306.056,1268 315.566,1269 55.139,1270 6.808,1271 96.28,1272 96.28,1273 12,1274 12.053,1275 3.7,1276 2.807,1277 58.778,1278 121,1279 162,1280 0.229,1281 215.028,1282 371.08,1283 516.429,1284 8080,1286 19.485,1287 0.722,1288 0.613,1289 19.485,1290 16.539,1291 13.135,1292 0.469,1293 0.35,1294 9.677,1295 12.638,1296 9.404,1297 7.954,1298 13.135,1299 9.802,1300 10.762,1301 0.307,1302 0.193,1303 10.762,1304 6.759,1305 8.453,1306 0.201,1307 0.109,1308 8.453,1309 4.566,1310 6.546,1311 0.131,1312 0.06,1313 6.546,1314 3.008,1315 5.04,1316 0.083,1317 0.032,1318 5.04,1319 1.964,1320 0.373,1321 82.271,1322 0.233,1323 26.811,1324 0.593,1325 126,1326 343.386,1327 138.472,1328 329.803,1329 449.9,1330 310,1331 140,1332 328.972,1333 151.641,1334 333.956,1335 479.41,1336 312,1337 4.066}
{0 CHEMBL420393,1 1.684,2 11.077,3 2.361,4 5.575,5 97.527,6 8.055,7 0.607,8 3.908,9 4.014,10 3.523,11 3.375,12 5.159,13 3.402,14 4.382,15 4.525,16 3.865,17 3.713,18 5.656,19 3.731,20 4.499,21 4.633,22 3.933,23 3.841,24 5.735,25 3.846,26 4.637,27 4.806,28 3.873,29 3.817,30 5.879,31 3.795,32 4.628,33 4.83,34 3.791,35 3.73,36 5.883,37 3.691,38 4.54,39 4.743,40 3.563,41 3.605,42 5.743,43 3.555,44 4.43,45 4.633,46 3.382,47 3.489,48 5.546,49 3.437,50 4.219,51 4.432,52 3.448,53 3.434,54 5.475,55 3.378,56 0.134,57 0.643,58 8,59 3.647,60 14.653,61 4.271,62 0.515,63 0.939,64 15.772,65 6.105,66 42.285,67 7.146,68 0.336,69 1.091,70 16.12,71 6.512,72 27.218,73 7.794,74 0.581,75 1.131,76 21.037,77 7.664,78 57.681,79 9.477,80 0.787,81 1.068,82 22.632,83 7.354,84 65.585,85 9.913,86 0.663,87 0.931,88 21.206,89 6.676,90 63.931,91 8.481,92 0.642,93 0.789,94 20.28,95 6.365,96 68.03,97 7.696,98 0.366,99 0.741,100 14.655,101 5.423,102 48.135,103 7.531,104 30,105 39,106 0.291,107 0.645,108 0.75,109 0.819,110 0.819,111 0.819,112 3.304,113 0.827,114 -3.7,115 -3.67,116 -3.49,119 40.9,124 2,125 1,139 6,140 3,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 6,169 2,170 10,172 3,173 3,175 1,178 7,180 1,182 11,187 1,189 3,191 1,192 1,193 8,195 1,196 1,197 1,198 4,200 2,201 1,204 4,205 1,206 4,207 5,212 3,215 4,218 3,220 2,221 2,223 1,224 1,226 1,229 6,231 1,234 2,241 5,245 2,246 6,248 2,249 2,251 1,254 2,256 1,260 8,265 2,268 2,270 2,273 940,274 17.428,275 17.428,276 17.428,277 17.428,278 17.428,279 15.303,280 21.447,281 10.11,282 18.061,283 13.687,284 13.687,285 13.687,286 13.687,287 13.687,288 10.244,289 24.867,290 4.671,291 14.483,292 3.775,293 1.722,294 1.114,295 0.716,296 0.716,297 0.716,298 3.983,300 1,301 1,302 1,303 608,304 3.317,307 233.407,311 121.807,314 1.621,315 32.008,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 58,327 288,328 4.541,329 3.672,330 6.502,331 4.049,332 3.079,333 4.491,334 1.727,335 10.175,336 2.989,337 4.293,338 3.13,339 6.121,340 3.901,341 2.923,342 3.927,343 0.86,344 9.034,345 2.853,346 3.801,347 2.986,348 5.449,349 3.422,350 2.471,351 3.241,352 0.86,353 7.126,354 2.346,355 3.703,356 2.665,357 5.301,358 3.3,359 2.335,360 3.043,361 0.636,362 6.815,363 2.241,364 3.429,365 2.555,366 5.062,367 2.974,368 2.061,369 2.811,371 5.818,372 1.898,373 3.37,374 2.195,375 4.97,376 2.972,377 2.04,378 2.693,380 5.803,381 1.867,382 3.355,383 2.053,384 4.969,385 2.908,386 1.959,387 2.604,389 5.753,390 1.853,391 2.743,392 1.829,393 4.113,394 2.278,395 1.33,396 1.764,398 3.554,399 1.242,400 2.453,401 1.445,402 3.71,403 1.982,404 1.007,405 1.432,407 2.565,408 0.979,409 1.853,410 1.064,411 3.128,412 1.496,413 0.551,414 0.667,415 1.268,416 0.509,417 1.592,418 1.057,419 2.842,420 1.322,421 0.458,422 0.513,423 0.675,424 0.394,425 1.576,426 0.916,427 2.781,428 1.27,429 0.396,430 0.452,431 0.602,432 0.342,433 1.335,434 0.352,435 2.71,436 0.903,437 -0.033,438 -0.044,439 -0.082,440 -0.031,441 0.97,442 -0.084,443 2.549,444 0.482,445 -0.443,446 -0.574,448 -1.15,449 -0.408,450 0.771,451 -0.299,452 2.413,453 0.32,454 -0.67,455 -0.853,457 -1.599,458 -0.637,459 11.933,460 0.459,461 0.677,462 0.026,463 36.75,464 1.413,465 19.5,466 0.75,467 17.25,468 0.663,469 17.377,470 0.668,471 28.267,472 0.642,473 28.658,474 1.102,475 7.702,476 0.296,477 4.793,478 0.184,479 0.179,481 0.377,485 0.93,486 1.248,487 0.746,488 1.09,489 0.891,490 0.895,491 1.065,492 0.763,493 0.76,494 0.762,495 0.628,496 0.715,497 1.101,498 1.283,499 0.986,500 1.19,501 0.889,502 1.075,503 1.112,504 1.175,505 1.079,506 1.228,507 1.308,508 1.169,509 0.786,510 1.047,511 0.947,512 1.074,513 0.893,514 1.046,515 1.293,516 0.84,517 1.219,518 1.012,519 1.463,520 1.085,521 1.678,522 0.757,523 1.219,524 0.788,525 1.94,526 0.903,527 0.453,528 0.931,529 0.717,530 1.018,531 0.499,532 0.957,533 6.5,534 0.211,535 2.667,536 1.875,537 1.991,538 0.931,539 0.282,540 0.352,541 0.25,542 0.152,543 8020,544 25501,545 2.014,546 40.9,548 14,551 4,555 1.688,556 1.857,557 3.434,558 1.773,559 1,560 1,564 74.098,565 1.684,566 3.737,567 4.345,568 4.743,569 4.743,570 4.743,571 2.888,572 3.95,573 4.676,574 3.598,575 1169.51,576 8.083,577 14937.7,579 1,581 1,582 240.215,583 1.502,584 4.615,585 0.232,586 0.011,587 0.068,588 0.046,589 0.055,590 0.029,591 0.011,592 0.016,593 0.01,594 0.007,595 0.486,596 0.17,597 1,598 0.923,599 128.444,600 -0.127,601 -0.06,602 0.023,603 -0.04,604 -0.192,605 0.029,606 0.018,607 0.292,608 0.143,609 0.259,610 0.133,611 0.225,612 -0.189,613 -0.172,614 -0.146,615 -0.17,616 -0.101,617 -0.145,618 -0.056,619 -0.179,620 -0.139,621 -0.231,622 -0.124,623 -0.215,624 0.24,625 -0.096,626 0.048,627 -0.099,628 0.168,629 -0.066,630 -0.127,631 0.092,632 -0.2,633 -0.051,634 -0.161,635 -0.124,636 -0.351,637 0.078,638 -0.152,639 0.209,640 -0.385,641 0.09,642 0.296,643 0.037,644 0.235,645 0.005,646 0.407,647 0.081,648 2.163,649 5.33,650 0.615,651 22.036,652 1.02,653 1.13,654 2.47,655 6.102,656 0.663,657 3.367,658 3.689,659 3.932,660 4.174,661 4.419,662 4.407,663 4.419,664 4.419,665 4.489,666 4.489,667 6.606,668 0.651,669 354.4,670 3.367,671 4.905,672 5.746,673 6.621,674 7.48,675 8.357,676 9.222,677 10.099,678 10.965,679 11.842,680 9.1,684 2,690 2,694 2,695 6,696 2,700 6,702 17,710 1,711 2,716 2,718 44,719 18,720 2,721 28,723 46,724 18,725 14,726 6,727 6,728 1,729 3,730 4,741 15,742 3,744 1,748 1,751 1,753 1,754 1,757 18,758 8,759 4,760 8,764 4,769 0.667,770 4,776 1,781 3,785 1,802 2,806 2,810 26,811 2,816 1,818 3,829 9.1,832 1,834 3,836 14,837 8.483,838 5.833,839 2.207,840 3.305,841 1.459,842 0.972,843 5.326,844 10.498,845 3.651,846 4.29,847 4.892,848 5.488,849 6.078,850 6.3,851 6.587,852 6.819,853 7.16,854 7.132,855 1,856 41,857 9.537,859 3.983,860 7.962,861 17.581,863 13.7,865 2.462,866 64,869 1,870 164.795,871 116.209,872 99.365,874 58.145,877 116.209,878 222.94,879 99.365,880 21.766,881 4.592,882 122.652,883 65.907,884 54.575,885 4.227,886 164.795,888 164.795,889 215.575,890 58.145,893 164.795,894 58.145,897 8.636,898 173.368,899 33.571,901 164.795,902 157.51,903 116.209,906 164.795,907 37.586,908 78.624,910 157.51,911 164.795,912 157.51,913 116.209,915 0.58,916 0.343,917 0.183,918 0.108,919 18,920 9,921 0.13,922 6,923 1,924 1.125,925 3.754,926 211.234,927 0.125,928 16,929 114.211,933 18.075,934 7.661,935 4.105,936 1.276,937 157.51,938 10.146,939 8.043,943 2.479,945 65.794,946 438.515,947 37.5,951 12.33,954 -0.496,956 44.902,957 49.737,958 0.308,959 0.685,960 0.796,961 0.869,962 0.869,963 0.869,964 4.877,965 1.33,966 5.74,967 5.753,968 4.369,969 4.977,970 2.374,971 6.535,972 4.272,973 6.106,974 1.007,975 7.294,976 3.554,977 4.007,978 4.902,980 7.38,981 3.892,982 7.426,983 0.551,984 8.939,985 2.565,986 5.958,987 7.246,988 3.06,989 10.442,990 5.793,991 8.78,992 0.458,993 10.635,994 1.268,995 6.347,996 7.936,998 12.055,999 6.167,1000 10.16,1001 0.396,1002 12.363,1003 0.675,1004 7.796,1005 9.795,1006 4.023,1007 14.65,1008 7.581,1009 11.56,1010 -0.033,1011 14.113,1012 0.602,1013 8.545,1014 10.869,1016 16.625,1017 8.313,1018 12.975,1019 -0.443,1020 15.88,1021 -0.082,1022 9.788,1023 12.521,1024 5.08,1025 19.041,1026 9.529,1027 3.079,1028 -0.67,1029 17.661,1030 -1.15,1031 10.718,1032 13.798,1034 21.191,1035 10.439,1036 2.923,1037 10.175,1038 19.454,1039 -1.599,1040 11.875,1041 15.356,1042 6.163,1043 23.536,1044 11.572,1045 2.471,1046 9.034,1047 21.256,1048 4.491,1049 12.895,1050 16.74,1052 25.769,1053 12.569,1054 2.335,1055 7.126,1056 23.067,1057 3.927,1058 14.018,1059 18.257,1060 7.254,1061 28.087,1062 13.667,1063 2.061,1064 6.815,1065 24.886,1066 3.241,1067 15.083,1068 19.695,1070 30.358,1071 14.706,1072 2.04,1073 5.818,1074 26.71,1075 3.043,1076 16.194,1077 21.195,1078 8.346,1079 32.667,1080 15.792,1081 1.959,1082 5.803,1083 28.54,1084 2.811,1085 17.28,1086 22.66,1088 34.957,1089 16.852,1090 7868,1091 14153,1092 18.205,1093 29.171,1094 41.272,1095 43.444,1096 43.048,1097 41.117,1098 41.222,1099 55.276,1100 8.167,1101 118.375,1102 39.026,1103 5.413,1104 5.672,1105 6.055,1106 5.121,1107 5.079,1108 7.491,1109 3.455,1110 17.069,1111 4.989,1112 14.839,1113 1.474,1114 1.552,1115 1.537,1116 1.468,1117 1.472,1118 1.974,1119 0.292,1120 4.228,1121 1.394,1122 4.071,1123 4.103,1124 4.04,1125 3.981,1126 7.433,1127 3.991,1128 3.932,1129 3.941,1130 3.894,1131 3.843,1132 5.308,1133 3.852,1134 3.553,1135 3.602,1136 3.491,1137 3.349,1138 4.982,1139 3.377,1140 3.34,1141 3.36,1142 3.283,1143 3.083,1144 4.912,1145 3.127,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.71,1151 3.026,1152 3.14,1153 3.237,1154 3.025,1155 2.931,1156 4.58,1157 2.939,1158 3.117,1159 3.203,1160 2.928,1161 2.838,1162 4.4,1163 2.85,1164 2.948,1165 3.006,1166 2.785,1167 2.738,1168 4.152,1169 2.738,1170 0.162,1171 0.131,1172 0.232,1173 0.145,1174 0.11,1175 4.541,1176 0.16,1177 3.672,1178 0.062,1179 6.502,1180 0.363,1181 4.049,1182 0.107,1183 3.079,1184 4.491,1185 1.727,1186 10.175,1187 2.989,1188 2.016,1189 1.991,1190 2.083,1191 2.127,1192 1.22,1193 2.113,1194 1.885,1195 1.874,1196 1.966,1197 1.998,1198 1.072,1199 1.985,1200 1.462,1201 1.415,1202 1.605,1203 1.705,1204 0.699,1205 1.679,1206 1.227,1207 1.189,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.221,1213 1.163,1214 1.546,1215 1.519,1216 0.563,1217 1.514,1218 1.098,1219 1.026,1220 1.354,1221 1.386,1222 0.336,1223 1.377,1224 1.034,1225 0.956,1226 1.289,1227 1.374,1228 0.187,1229 1.37,1230 0.91,1231 0.842,1232 1.122,1233 1.143,1234 0.092,1235 1.137,1236 4.043,1238 5.361,1240 6.876,1242 8.484,1244 10.142,1246 3.024,1250 11.451,1252 0.068,1254 15.68,1262 28.632,1263 74.098,1264 164.441,1265 191.195,1266 208.705,1267 208.705,1268 208.705,1269 45.586,1270 7.194,1271 122.58,1272 122.58,1273 18,1274 12.382,1275 4.248,1276 3.392,1277 44.544,1278 106,1279 90,1280 0.209,1281 178.068,1282 305.58,1283 426.246,1284 12836,1286 18.681,1287 0.719,1288 0.552,1289 18.681,1290 14.353,1291 12.495,1292 0.446,1293 0.276,1294 7.537,1295 11.786,1296 7.316,1297 6.115,1298 12.495,1299 7.717,1300 11.227,1301 0.288,1302 0.141,1303 11.227,1304 5.496,1305 9.295,1306 0.186,1307 0.075,1308 9.295,1309 3.764,1310 7.515,1311 0.117,1312 0.039,1313 7.515,1314 2.465,1315 6.324,1316 0.077,1317 0.021,1318 6.324,1319 1.682,1320 0.332,1321 80.079,1322 0.234,1323 25.262,1324 0.559,1325 134,1326 472.857,1327 152.008,1328 445.245,1329 600.34,1330 416,1331 156,1332 434.506,1333 172.625,1334 441.021,1335 639.29,1336 409,1337 6.456}
{0 CHEMBL421053,1 1.623,2 10.963,3 1.795,4 3.223,5 109.031,6 7.066,7 0.414,8 4.077,9 4.215,10 3.582,11 3.466,12 5.201,13 3.476,14 4.608,15 4.802,16 3.927,17 3.851,18 5.654,19 3.838,20 4.796,21 4.984,22 4.088,23 4.058,24 5.808,25 4.024,26 4.988,27 5.204,28 4.101,29 4.139,30 6.037,31 4.065,32 5.121,33 5.384,34 3.857,35 4.104,36 6.037,37 3.995,38 4.98,39 5.251,40 3.638,41 3.994,42 5.845,43 3.843,44 4.89,45 5.195,46 3.542,47 3.869,48 5.645,49 3.713,50 4.725,51 5.001,52 3.629,53 3.723,54 5.599,55 3.626,56 0.1,57 0.777,58 12.321,59 4.068,60 14.294,61 6.092,62 0.457,63 1.154,64 22.94,65 7.107,66 37.958,67 10.249,68 0.472,69 1.437,70 26.928,71 8.248,72 31.508,73 12.853,74 0.63,75 1.59,76 33.409,77 10.228,78 53.76,79 15.766,80 0.904,81 1.553,82 40.851,83 9.535,84 73.988,85 16.062,86 0.675,87 1.352,88 35.032,89 9.81,90 61.541,91 15.544,92 0.49,93 1.173,94 32.413,95 9.11,96 47.329,97 14.893,98 0.515,99 0.996,100 27.469,101 7.857,102 42.752,103 12.225,104 46,105 41,106 0.274,107 0.588,108 0.741,109 0.781,110 0.803,111 0.829,112 3.34,113 0.899,114 -2.8,115 -2.81,116 -2.73,119 34,120 1,122 2,124 3,125 2,139 2,140 1,141 4,144 2,147 1,157 2,158 2,159 2,166 3,169 1,170 4,172 3,173 4,175 6,178 4,180 1,181 2,182 4,187 3,191 1,192 1,193 6,195 1,196 4,197 4,198 6,200 4,201 2,204 3,205 1,210 1,212 1,215 2,218 1,221 2,224 2,225 1,226 4,228 1,229 4,231 2,234 3,246 9,249 2,250 1,251 2,253 1,256 2,260 2,263 1,273 1015,274 18.196,275 18.196,276 18.196,277 18.196,278 18.196,279 16.667,280 33.475,281 10.393,282 18.997,283 14.076,284 14.076,285 14.076,286 14.076,287 14.076,288 11.514,289 55.534,290 4.61,291 15.087,292 4.104,293 2.242,294 1.336,295 1.095,296 0.968,297 0.812,298 4.018,300 1,301 1,302 1,303 621,304 3.162,307 237.221,311 125.42,314 1.525,315 27.279,317 1,318 0.75,319 0.67,320 0.83,321 0.9,322 1,323 0.83,324 1,325 0.85,326 60,327 296,328 4.492,329 3.404,330 6.835,331 4.185,332 3.212,333 4.133,334 0.86,335 11.231,336 3.13,337 4.419,338 3.371,339 6.523,340 4.004,341 3.061,342 4.104,343 0.86,344 10.257,345 2.881,346 3.732,347 2.662,348 5.804,349 3.511,350 2.555,351 2.965,352 0.86,353 7.875,354 2.441,355 3.557,356 2.555,357 5.289,358 3.199,359 2.255,360 2.87,361 0.4,362 6.728,363 2.122,364 3.355,365 2.474,366 5.19,367 2.973,368 2.061,369 2.604,370 0.4,371 6.118,372 1.9,373 3.325,374 2.229,375 5.095,376 2.972,377 2.038,378 2.563,380 5.902,381 1.867,382 3.247,383 2.111,384 5.006,385 2.896,386 1.97,387 2.381,389 5.788,390 1.817,391 2.439,392 1.95,393 4.248,394 2.316,395 1.365,396 1.436,398 3.553,399 1.295,400 2.226,401 1.607,402 3.809,403 2.005,404 1.17,405 1.213,407 2.537,408 0.973,409 1.872,410 1.123,411 3.31,412 1.703,413 0.786,414 0.836,415 1.744,416 0.717,417 1.576,418 0.926,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.412,426 0.916,427 2.838,428 1.174,429 0.328,430 0.348,431 0.445,432 0.275,433 1.227,434 0.319,435 2.809,436 0.976,437 0.054,438 0.06,439 0.12,440 0.05,441 1.092,442 0.088,443 2.594,444 0.836,445 -0.116,446 -0.133,448 -0.3,449 -0.11,450 0.887,451 -0.018,452 2.486,453 0.516,454 -0.398,455 -0.473,457 -0.81,458 -0.36,459 12.4,460 0.459,461 0.695,462 0.026,463 34,464 1.259,465 15.5,466 0.574,467 18.5,468 0.685,469 23.841,470 0.883,471 31.4,472 0.592,473 26.156,474 0.969,475 6.788,476 0.251,477 6.189,478 0.229,479 0.226,481 0.403,485 1.058,486 1.534,487 0.878,488 1.272,489 1.171,490 1.053,491 1.203,492 0.902,493 0.833,494 0.839,495 0.776,496 0.789,497 0.831,498 1.358,499 0.909,500 1.175,501 0.793,502 1.063,503 0.701,504 1.27,505 1.031,506 1.353,507 0.667,508 1.271,509 1.4,510 0.926,511 1.281,512 0.929,513 1.425,514 1.054,515 1.027,516 0.915,517 1.188,518 1.067,519 1.113,520 1.151,521 0.729,522 0.844,523 0.847,524 0.898,525 0.827,526 0.892,527 0.882,528 0.863,529 0.729,530 0.871,531 0.693,532 0.8,533 6,534 0.206,535 3.333,536 2.75,537 2.333,538 0.882,539 0.384,540 0.451,541 0.283,542 0.298,543 8309,544 23309,545 1.992,546 49.1,547 4,548 15,551 6,554 1,555 1.7,556 1.82,557 3.389,558 3.447,559 1,560 1,564 86.045,565 1.623,566 3.486,567 4.392,568 4.633,569 4.76,570 4.916,571 2.834,572 4.282,573 4.731,574 3.549,575 1245.77,576 8.205,577 16015.3,579 1,581 1,582 303.58,583 1.541,584 4.659,585 0.207,586 0.009,587 0.081,588 0.059,589 0.053,590 0.027,591 0.015,592 0.018,593 0.01,594 0.011,595 0.49,596 0.17,597 1,598 1.011,599 133.844,600 -0.132,601 -0.176,602 0.038,603 -0.082,604 -0.178,605 0.011,606 -0.055,607 0.232,608 0.146,609 0.237,610 0.146,611 0.221,612 0.074,613 -0.163,614 0.026,615 -0.062,616 0.018,617 -0.024,618 0.174,619 -0.143,620 -0.088,621 -0.293,622 0.193,623 -0.255,624 -0.285,625 0.041,626 -0.274,627 -0.011,628 -0.34,629 -0.12,630 -0.132,631 0.039,632 -0.22,633 -0.088,634 -0.197,635 -0.165,636 -0.003,637 0.022,638 0.112,639 0.074,640 -0.05,641 0.116,642 0.111,643 -0.001,644 0.261,645 0.121,646 0.187,647 0.204,648 1.486,649 2.071,650 0.593,651 22.733,652 1.008,653 1.147,654 1.572,655 2.472,656 0.623,657 3.401,658 3.738,659 4.043,660 4.317,661 4.5,662 4.533,663 4.543,664 4.625,665 4.71,666 4.771,667 6.429,668 0.595,669 374.5,670 3.401,671 4.949,672 5.814,673 6.708,674 7.587,675 8.484,676 9.367,677 10.264,678 11.149,679 12.046,680 11.3,684 2,685 2,690 2,695 2,696 2,700 8,702 12,711 2,712 2,716 3,718 53,719 12,720 1,721 29,723 55,724 18,725 10,726 4,727 2,729 3,730 4,734 1,737 2,741 10,742 8,743 2,754 1,757 26,758 9,759 6,760 9,764 6,769 0.667,770 3,776 1,781 3,785 1,802 2,806 4,810 27,811 2,816 2,817 2,818 3,820 2,829 5.7,834 3,836 14.833,837 10.4,838 6.167,839 2.811,840 2.259,841 1.308,842 0.948,843 6.137,844 9.593,845 3.584,846 4.174,847 4.741,848 5.274,849 5.728,850 5.862,851 5.904,852 6.013,853 6.233,854 6.428,855 1,856 47,857 9.916,859 4.087,860 7.741,861 18.828,863 14.99,865 2.241,866 60.5,870 235.422,871 92.866,872 135.387,874 33,877 92.866,878 268.422,879 135.387,880 41.474,881 4.211,882 84.747,883 69.593,884 54.672,885 6.555,886 235.422,888 235.422,889 228.253,890 33,893 223.651,894 44.771,897 14.936,898 143.724,899 69.593,901 235.422,902 168.387,903 92.866,906 235.422,907 32.439,908 60.427,909 36.022,910 132.365,911 235.422,912 168.387,913 92.866,915 0.578,916 0.365,917 0.208,918 0.107,919 19,920 10,921 0.109,922 6,923 1,924 1.125,925 3.724,926 228.859,927 0.125,928 16,929 120.382,933 19.791,934 8.372,935 3.998,937 168.387,938 3.767,939 8.342,943 4.887,945 101.816,946 496.674,947 35,956 53.429,957 60.77,958 0.283,959 0.609,960 0.767,961 0.809,962 0.831,963 0.858,964 4.844,965 1.365,966 5.82,967 5.788,968 4.419,969 4.86,970 1.805,971 6.673,972 4.296,973 6.051,974 1.17,975 7.412,976 3.553,977 4.111,978 4.796,980 7.67,981 3.968,982 7.373,983 0.786,984 9.101,985 2.537,986 6.057,987 7.049,988 1.478,989 10.778,990 5.849,991 8.73,992 0.396,993 10.846,994 1.744,995 6.538,996 7.755,998 12.575,999 6.311,1000 10.117,1001 0.328,1002 12.627,1003 0.603,1004 7.978,1005 9.537,1006 1.237,1007 15.224,1008 7.704,1009 11.524,1010 0.054,1011 14.433,1012 0.445,1013 8.823,1014 10.599,1016 17.364,1017 8.526,1018 12.948,1019 -0.116,1020 16.257,1021 0.12,1022 10.074,1023 12.192,1024 1.029,1025 19.854,1026 9.74,1027 3.212,1028 -0.398,1029 18.097,1030 -0.3,1031 11.087,1032 13.43,1034 22.142,1035 10.726,1036 3.061,1037 11.231,1038 19.949,1039 -0.81,1040 12.268,1041 14.935,1042 0.845,1043 24.574,1044 11.875,1045 2.555,1046 10.257,1047 21.811,1048 4.133,1049 13.357,1050 16.26,1052 26.925,1053 12.935,1054 2.255,1055 7.875,1056 23.68,1057 4.104,1058 14.514,1059 17.723,1060 0.684,1061 29.335,1062 14.062,1063 2.061,1064 6.728,1065 25.557,1066 2.965,1067 15.636,1068 19.092,1070 31.714,1071 15.156,1072 2.038,1073 6.118,1074 27.439,1075 2.87,1076 16.786,1077 20.532,1078 0.546,1079 34.118,1080 16.277,1081 1.97,1082 5.902,1083 29.326,1084 2.604,1085 17.924,1086 21.924,1088 36.51,1089 17.387,1090 8238,1091 13901,1092 18.611,1093 33.012,1094 42.378,1095 43.906,1096 45.749,1097 42.339,1098 42.501,1099 51.929,1100 6.76,1101 125.8,1102 39.621,1103 5.438,1104 5.404,1105 6.378,1106 5.26,1107 5.212,1108 7.133,1109 1.72,1110 18.467,1111 5.13,1112 16.525,1113 1.461,1114 1.514,1115 1.578,1116 1.46,1117 1.466,1118 1.791,1119 0.233,1120 4.338,1121 1.366,1122 4.014,1123 4.061,1124 3.963,1125 3.884,1126 5.287,1127 3.897,1128 3.916,1129 3.935,1130 3.882,1131 3.799,1132 4.981,1133 3.815,1134 3.594,1135 3.664,1136 3.498,1137 3.398,1138 4.977,1139 3.417,1140 3.311,1141 3.386,1142 3.177,1143 3.062,1144 4.58,1145 3.074,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.543,1151 3.026,1152 3.231,1153 3.328,1154 3.059,1155 2.984,1156 4.47,1157 2.987,1158 3.204,1159 3.286,1160 2.981,1161 2.896,1162 4.33,1163 2.896,1164 3.065,1165 3.174,1166 2.875,1167 2.798,1168 4.08,1169 2.803,1170 0.155,1171 0.117,1172 0.236,1173 0.144,1174 0.111,1175 4.492,1176 0.143,1177 3.404,1178 0.03,1179 6.835,1180 0.387,1181 4.185,1182 0.108,1183 3.212,1184 4.133,1185 0.86,1186 11.231,1187 3.13,1188 1.937,1189 1.898,1190 2.067,1191 2.097,1192 1.409,1193 2.088,1194 1.859,1195 1.841,1196 1.938,1197 1.999,1198 1.069,1199 1.978,1200 1.528,1201 1.466,1202 1.675,1203 1.766,1204 0.829,1205 1.75,1206 1.263,1207 1.182,1208 1.596,1209 1.558,1210 0.645,1211 1.565,1212 1.227,1213 1.163,1214 1.59,1215 1.548,1216 0.584,1217 1.563,1218 1.2,1219 1.115,1220 1.571,1221 1.505,1222 0.575,1223 1.529,1224 1.159,1225 1.07,1226 1.537,1227 1.48,1228 0.563,1229 1.499,1230 1.032,1231 0.926,1232 1.361,1233 1.352,1234 0.489,1235 1.357,1236 4.078,1238 5.407,1240 6.95,1242 8.597,1244 10.298,1246 6.899,1250 11.759,1252 1.47,1253 6.749,1254 16.168,1256 0.461,1262 31.541,1263 86.045,1264 184.747,1265 232.786,1266 245.541,1267 252.296,1268 260.56,1269 47.719,1270 7.334,1271 129.57,1272 129.57,1273 18,1274 12.572,1275 3.7,1276 2.807,1277 47.089,1278 107,1279 93,1280 0.221,1281 196.443,1282 337.61,1283 471.08,1284 14587,1286 19.552,1287 0.724,1288 0.592,1289 19.552,1290 15.997,1291 12.977,1292 0.447,1293 0.3,1294 8.472,1295 12.189,1296 8.167,1297 6.856,1298 12.977,1299 8.687,1300 11.411,1301 0.278,1302 0.157,1303 11.411,1304 6.454,1305 9.889,1306 0.177,1307 0.088,1308 9.889,1309 4.92,1310 8.675,1311 0.117,1312 0.046,1313 8.675,1314 3.41,1315 6.547,1316 0.074,1317 0.025,1318 6.547,1319 2.261,1320 0.347,1321 83.511,1322 0.232,1323 25.796,1324 0.604,1325 140,1326 433.787,1327 158.516,1328 407.934,1329 560,1330 384,1331 167,1332 414.341,1333 186.015,1334 420.552,1335 612.93,1336 390,1337 5.432}
{0 CHEMBL421319,1 1.634,2 10.091,3 2.394,4 5.731,5 84.601,6 8.176,7 0.708,8 3.707,9 3.822,10 3.34,11 3.253,12 4.962,13 3.263,14 4.153,15 4.287,16 3.688,17 3.605,18 5.464,19 3.594,20 4.348,21 4.517,22 3.717,23 3.685,24 5.56,25 3.663,26 4.404,27 4.594,28 3.584,29 3.556,30 5.67,31 3.527,32 4.262,33 4.464,34 3.39,35 3.41,36 5.488,37 3.372,38 4.188,39 4.422,40 3.203,41 3.312,42 5.366,43 3.235,44 3.984,45 4.21,46 3.118,47 3.229,48 5.034,49 3.155,50 3.851,51 4.042,52 3.159,53 3.161,54 5.246,55 3.103,56 0.078,57 0.547,58 6.147,59 2.838,60 13.326,61 3.324,62 0.29,63 0.82,64 10.788,65 4.954,66 28.658,67 5.951,68 0.178,69 0.96,70 13.969,71 5.653,72 22.838,73 7.09,74 0.383,75 0.918,76 17.131,77 6.002,78 52.869,79 7.178,80 0.306,81 0.803,82 14.866,83 4.94,84 42.585,85 6.053,86 0.425,87 0.715,88 15.087,89 4.807,90 51.429,91 6.336,92 0.178,93 0.589,94 11.944,95 4.627,96 25.405,97 6.142,98 0.262,99 0.555,100 9.187,101 3.616,102 38.2,103 4.909,104 10,105 33,106 0.293,107 0.619,108 0.725,109 0.845,110 0.858,111 0.858,112 3.146,113 0.834,114 -4.46,115 -4.39,116 -4.13,119 44.4,125 1,139 8,140 3,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 10,169 2,170 6,172 3,173 3,175 1,178 10,180 1,182 9,187 1,189 5,191 1,193 10,195 1,196 1,197 1,198 4,200 2,201 1,204 4,205 1,207 5,212 3,215 4,218 3,220 2,221 2,223 1,224 1,226 1,229 8,231 1,241 9,245 2,246 2,248 2,249 2,251 1,254 6,256 1,260 4,265 2,268 2,270 2,273 616,274 14.792,275 14.792,276 14.792,277 14.792,278 14.792,279 12.613,280 12.82,281 8.795,282 15.067,283 11.849,284 11.849,285 11.849,286 11.849,287 11.849,288 8.571,289 14.402,290 4.203,291 12.274,292 3.536,293 1.722,294 1.132,295 0.465,296 0.389,297 0.389,298 3.828,300 1,301 1,302 1,303 477,304 2.828,307 187.699,311 96.927,314 1.463,315 24.192,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48,327 222,328 4.541,329 3.664,330 6.502,331 4.048,332 3.079,333 4.491,334 1.727,335 10.175,336 2.989,337 4.143,338 3.129,339 6.02,340 3.779,341 2.788,342 3.671,343 0.636,344 8.546,345 2.754,346 3.768,347 2.671,348 5.311,349 3.368,350 2.403,351 3.233,353 6.879,354 2.319,355 3.43,356 2.213,357 5.062,358 2.979,359 2.048,360 2.811,362 5.803,363 1.9,364 3.387,365 2.173,366 4.971,367 2.918,368 1.971,369 2.711,371 5.757,372 1.862,373 3.256,374 2.05,375 4.286,376 2.775,377 1.785,378 2.524,380 4.181,381 1.756,382 2.602,383 1.445,384 3.71,385 2.13,386 1.166,387 1.601,389 2.682,390 1.112,391 2.5,392 1.323,393 3.502,394 2,395 1.006,396 1.5,398 2.565,399 1,400 2.453,401 1.057,402 3.247,403 1.981,404 1,405 1.431,407 2.136,408 0.979,409 1.852,410 1,411 3.057,412 1.489,413 0.525,414 0.658,415 1.229,416 0.497,417 1.335,418 0.352,419 2.699,420 0.903,421 -0.033,422 -0.044,423 -0.082,424 -0.031,425 0.97,426 -0.084,427 2.531,428 0.482,429 -0.444,430 -0.574,431 -1.149,432 -0.408,433 0.751,434 -0.299,435 2.351,436 0.282,437 -0.717,438 -0.883,439 -1.601,440 -0.686,441 0.618,442 -0.562,443 2.045,444 0.214,445 -0.782,446 -1.088,448 -1.926,449 -0.778,450 0.5,451 -0.722,452 1.604,453 0.144,454 -0.816,455 -1.146,457 -2.347,458 -0.804,459 10.267,460 0.467,461 0.541,462 0.025,463 32.75,464 1.489,465 18.5,466 0.841,467 14.25,468 0.648,469 12.577,470 0.572,471 22.733,472 0.631,473 22.877,474 1.04,475 6.733,476 0.306,477 3.898,478 0.177,479 0.11,481 0.341,485 0.9,486 1.076,487 0.743,488 0.891,489 0.881,490 0.788,491 0.649,492 0.881,493 0.764,494 0.961,495 0.506,496 0.914,497 0.95,498 1.234,499 0.945,500 1.183,501 0.781,502 1.075,503 1.529,504 1.053,505 1.147,506 1.095,507 1.416,508 1.073,509 1.515,510 1.085,511 1.222,512 1.09,513 1.414,514 1.094,515 1.133,516 0.639,517 1.131,518 0.807,519 1.356,520 0.937,521 0.859,522 0.876,523 0.794,524 0.92,525 0.878,526 0.876,527 0.379,528 0.921,529 0.855,530 1.028,531 0.628,532 1.044,533 4.5,534 0.07,535 2.444,536 1.375,537 1.289,538 0.528,539 0.282,540 0.227,541 0.201,542 0.132,543 5272,544 15857,545 2.07,546 38.9,548 10,551 4,555 1.64,556 1.941,557 3.304,558 1.87,559 1,560 1,562 1,564 58.814,565 1.634,566 3.448,567 4.038,568 4.705,569 4.781,570 4.781,571 2.738,572 4.187,573 4.434,574 3.433,575 793.09,576 7.589,577 8849.12,578 1,579 1,581 1,582 186.117,583 1.395,584 4.392,585 0.188,586 0.006,587 0.074,588 0.042,589 0.048,590 0.024,591 0.016,592 0.013,593 0.011,594 0.009,595 0.429,596 0.17,597 1,598 0.595,599 102.204,600 -0.143,601 0.058,602 0.002,603 0.079,604 -0.209,605 0.083,606 0.267,607 0.174,608 0.061,609 0.029,610 0.171,611 -0.003,612 -0.09,613 -0.209,614 -0.066,615 -0.213,616 -0.026,617 -0.141,618 -0.191,619 -0.119,620 -0.136,621 -0.132,622 -0.112,623 -0.134,624 -0.278,625 -0.125,626 -0.216,627 -0.144,628 -0.198,629 -0.158,630 0.024,631 0.291,632 -0.072,633 0.159,634 -0.137,635 0.054,636 0.006,637 -0.018,638 0.223,639 0.132,640 -0.001,641 0.2,642 0.465,643 0.064,644 0.075,645 -0.038,646 0.402,647 -0.064,648 2.04,649 4.905,650 0.727,651 17.455,652 1.013,653 1.125,654 3.229,655 10.426,656 0.687,657 3.219,658 3.526,659 3.761,660 3.989,661 4.205,662 4.159,663 4.205,664 4.248,665 4.344,666 4.29,667 5.878,668 0.671,669 294.34,670 3.219,671 4.745,672 5.58,673 6.444,674 7.295,675 8.163,676 9.02,677 9.889,678 10.75,679 11.621,680 11.1,684 2,690 2,694 2,695 8,696 2,700 4,702 17,710 1,711 2,718 36,719 18,720 2,721 24,723 38,724 16,725 14,726 4,727 8,728 1,729 3,730 4,741 15,742 1,744 1,748 1,751 1,753 1,754 1,757 14,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,781 3,785 1,802 2,810 22,811 2,816 1,818 1,829 5.6,832 1,834 1,836 11.333,837 6.317,838 4.833,839 1.901,840 3.217,841 1.471,842 1.011,843 3.897,844 10.042,845 3.541,846 4.174,847 4.773,848 5.359,849 5.94,850 6.128,851 6.454,852 6.747,853 7.117,854 7.043,855 0.857,856 33,857 8.067,859 3.417,860 7.939,861 14.963,863 11.925,865 2.439,866 53.667,870 117.711,871 102.909,872 99.365,874 36.145,877 102.909,878 153.856,879 99.365,881 4.592,882 141.604,883 65.907,884 22.088,885 4.227,886 117.711,888 117.711,889 202.274,890 36.145,893 117.711,894 36.145,897 8.636,898 160.068,899 33.571,901 117.711,902 135.51,903 102.909,906 117.711,907 27.099,908 75.81,910 135.51,911 117.711,912 135.51,913 102.909,915 0.58,916 0.335,917 0.179,918 0.098,919 16,920 7,921 0.105,922 4,923 1,924 1.125,925 3.489,926 166.959,927 0.125,928 16,929 94.107,933 14.295,934 5.997,935 3.179,936 1.339,937 135.51,938 14.206,939 8.022,943 1.753,945 65.794,946 356.13,947 33.5,951 11.905,954 -0.373,956 36.48,957 40.488,958 0.316,959 0.667,960 0.781,961 0.91,962 0.925,963 0.925,964 4.747,965 1.006,966 5.557,967 2.682,968 4.205,969 4.86,970 2.051,971 6.333,972 4.139,973 5.967,974 1,975 7.096,976 2.565,977 3.761,978 4.677,980 7.154,981 3.674,982 7.275,983 0.525,984 8.733,985 2.136,986 5.765,987 7.115,988 2.951,989 10.235,990 5.643,991 8.618,992 -0.033,993 10.428,994 1.229,995 6.111,996 7.746,998 11.877,999 5.973,1000 9.991,1001 -0.444,1002 12.161,1003 -0.082,1004 7.597,1005 9.664,1006 3.994,1007 14.473,1008 7.43,1009 11.387,1010 -0.717,1011 13.919,1012 -1.149,1013 8.326,1014 10.71,1016 16.476,1017 8.141,1018 12.801,1019 -0.782,1020 15.696,1021 -1.601,1022 9.59,1023 12.395,1024 5.073,1025 18.893,1026 9.379,1027 3.079,1028 -0.816,1029 17.487,1030 -1.926,1031 10.512,1032 13.664,1034 21.061,1035 10.278,1036 2.788,1037 10.175,1038 19.291,1039 -2.347,1040 11.68,1041 15.242,1042 6.161,1043 23.409,1044 11.421,1045 2.403,1046 8.546,1047 21.104,1048 4.491,1049 12.696,1050 16.626,1052 25.653,1053 12.412,1054 2.048,1055 6.879,1056 22.925,1057 3.671,1058 13.825,1059 18.156,1060 7.253,1061 27.977,1062 13.514,1063 1.971,1064 5.803,1065 24.752,1066 3.233,1067 14.888,1068 19.598,1070 30.256,1071 14.55,1072 1.785,1073 5.757,1074 26.585,1075 2.811,1076 16.002,1077 21.108,1078 8.346,1079 32.572,1080 15.636,1081 1.166,1082 4.181,1083 28.423,1084 2.711,1085 17.089,1086 22.579,1088 34.869,1089 16.694,1090 5096,1091 8949,1092 16.008,1093 24.739,1094 35.947,1095 37.022,1096 36.338,1097 35.601,1098 35.542,1099 49.261,1100 4.727,1101 99.905,1102 34.334,1103 5.407,1104 5.664,1105 6.304,1106 5.12,1107 5.079,1108 7.491,1109 3.455,1110 17.069,1111 4.989,1112 10.027,1113 1.498,1114 1.543,1115 1.514,1116 1.483,1117 1.481,1118 2.053,1119 0.197,1120 4.163,1121 1.431,1122 4.07,1123 4.103,1124 4.039,1125 3.981,1126 7.433,1127 3.99,1128 3.908,1129 3.931,1130 3.849,1131 3.84,1132 5.307,1133 3.837,1134 3.547,1135 3.599,1136 3.481,1137 3.348,1138 4.982,1139 3.375,1140 3.292,1141 3.308,1142 3.236,1143 3.052,1144 4.749,1145 3.091,1146 3.131,1147 3.236,1148 3.023,1149 2.916,1150 4.695,1151 2.929,1152 2.984,1153 3.045,1154 2.857,1155 2.775,1156 4.376,1157 2.789,1158 2.854,1159 2.925,1160 2.687,1161 2.735,1162 4.065,1163 2.715,1164 2.691,1165 2.8,1166 2.488,1167 2.402,1168 3.788,1169 2.414,1170 0.189,1171 0.153,1172 0.271,1173 0.169,1174 0.128,1175 4.541,1176 0.187,1177 3.664,1178 0.072,1179 6.502,1180 0.424,1181 4.048,1182 0.125,1183 3.079,1184 4.491,1185 1.727,1186 10.175,1187 2.989,1188 2.016,1189 1.991,1190 2.084,1191 2.127,1192 1.22,1193 2.113,1194 1.895,1195 1.872,1196 2.012,1197 1.985,1198 1.069,1199 1.993,1200 1.462,1201 1.413,1202 1.603,1203 1.699,1204 0.699,1205 1.677,1206 1.167,1207 1.144,1208 1.364,1209 1.448,1210 0.337,1211 1.413,1212 1.053,1213 0.987,1214 1.29,1215 1.386,1216 0.234,1217 1.371,1218 0.943,1219 0.868,1220 1.181,1221 1.175,1222 0.218,1223 1.176,1224 0.886,1225 0.821,1226 1.176,1227 1.062,1228 0.093,1229 1.107,1230 0.661,1231 0.544,1232 1.035,1233 0.967,1235 0.998,1236 3.892,1238 5.198,1240 6.706,1242 8.305,1244 9.954,1250 11.388,1252 0.146,1254 5.281,1262 24.149,1263 58.814,1264 124.117,1265 145.362,1266 169.362,1267 172.117,1268 172.117,1269 32.713,1270 6.825,1271 104.12,1272 104.12,1273 18,1274 12.165,1275 4.248,1276 3.392,1277 34.684,1278 78,1279 70,1280 0.219,1281 150.891,1282 253.4,1283 359.934,1284 7984,1286 15.527,1287 0.706,1288 0.531,1289 15.527,1290 11.692,1291 10.631,1292 0.443,1293 0.278,1294 6.574,1295 10.237,1296 6.446,1297 5.361,1298 10.631,1299 6.671,1300 9.61,1301 0.291,1302 0.144,1303 9.61,1304 4.761,1305 7.852,1306 0.187,1307 0.076,1308 7.852,1309 3.186,1310 6.471,1311 0.122,1312 0.04,1313 6.471,1314 2.114,1315 5.188,1316 0.079,1317 0.021,1318 5.188,1319 1.401,1320 0.346,1321 66.666,1322 0.25,1323 21.92,1324 0.589,1325 114,1326 361.386,1327 126.251,1328 352.448,1329 479.58,1330 328,1331 132,1332 353.415,1333 143.31,1334 359.533,1335 523.41,1336 337,1337 6.409}
{0 CHEMBL421594,1 1.732,2 8.476,3 1.085,4 1.178,5 78.786,6 8.181,7 0.696,8 3.71,9 3.837,10 3.341,11 3.122,12 4.965,13 3.17,14 4.168,15 4.332,16 3.703,17 3.463,18 5.413,19 3.503,20 4.236,21 4.39,22 3.749,23 3.544,24 5.482,25 3.58,26 4.325,27 4.491,28 3.718,29 3.58,30 5.589,31 3.566,32 4.416,33 4.654,34 3.484,35 3.52,36 5.483,37 3.469,38 4.298,39 4.541,40 3.344,41 3.368,42 5.335,43 3.311,44 4.047,45 4.25,46 3.271,47 3.191,48 5.224,49 3.158,50 4.045,51 4.314,52 2.96,53 3.014,54 5.153,55 2.943,56 0.136,57 0.565,58 6.455,59 2.344,60 12.397,61 3.032,62 0.396,63 0.814,64 12.475,65 4.22,66 28.977,67 5.303,68 0.34,69 0.902,70 12.155,71 3.948,72 24.622,73 5.142,74 0.478,75 0.93,76 13.646,77 4.965,78 31.004,79 6.67,80 0.443,81 0.881,82 17.965,83 4.975,84 38.629,85 7.38,86 0.546,87 0.729,88 17.326,89 4.683,90 36.522,91 6.896,92 0.291,93 0.625,94 11.464,95 3.624,96 22.527,97 5.302,98 0.415,99 0.546,100 13.595,101 3.019,102 34.825,103 4.933,104 21,105 33,106 0.315,107 0.677,108 0.766,109 0.822,110 0.832,111 0.864,112 3.104,113 0.8,114 -3.02,115 -3.02,116 -2.91,119 37.1,124 2,139 3,140 1,141 2,143 1,144 1,147 1,155 2,157 2,158 2,159 2,166 2,169 1,170 5,172 3,173 5,175 1,178 3,181 2,182 3,184 1,185 1,187 1,189 1,192 2,193 5,195 1,196 3,197 3,198 2,200 4,205 1,207 2,209 1,210 1,212 1,218 1,220 2,221 3,224 1,226 2,231 2,233 1,234 2,236 1,237 1,239 3,243 3,245 1,248 1,249 1,251 2,256 2,259 1,262 1,263 1,273 522,274 14.204,275 14.204,276 14.204,277 14.204,278 14.204,279 12.336,280 14.951,281 8.128,282 14.838,283 11.225,284 11.225,285 11.225,286 11.225,287 11.225,288 8.25,289 17.965,290 3.7,291 12.086,292 3.398,293 1.411,294 0.922,295 0.615,296 0.557,297 0.386,298 3.78,301 1,302 1,303 378,304 2.449,306 39.515,307 116.407,310 78.089,314 1.261,315 21.68,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47,327 178,328 4.621,329 3.253,330 6.642,331 4.135,332 3.187,333 4.571,334 0.86,335 10.71,336 3.022,337 4.302,338 3.057,339 6.374,340 3.867,341 2.911,342 3.976,343 0.86,344 9.717,345 2.778,346 3.747,347 2.678,348 5.422,349 3.317,350 2.387,351 3.199,353 7.048,354 2.216,355 3.497,356 2.364,357 5.111,358 3.043,359 2.13,360 2.849,362 6.072,363 1.939,364 3.388,365 2.151,366 5.026,367 2.91,368 1.993,369 2.741,371 5.833,372 1.823,373 3.09,374 1.926,375 4.867,376 2.665,377 1.744,378 2.286,380 5.151,381 1.598,382 2.661,383 1.341,384 4.022,385 2.154,386 1.198,387 1.734,389 3.183,390 1.14,391 2.19,392 0.981,393 3.649,394 1.673,395 0.77,396 1.066,398 2.14,399 0.695,400 1.697,401 0.937,402 2.987,403 1.367,404 0.486,405 0.567,407 0.828,408 0.423,409 1.592,410 0.82,411 2.776,412 1.32,413 0.463,414 0.512,415 0.673,416 0.394,417 1.119,418 -0.063,419 2.685,420 0.649,421 -0.258,422 -0.34,423 -0.626,424 -0.234,425 0.823,426 -0.238,427 2.36,428 0.453,429 -0.47,430 -0.581,431 -1.02,432 -0.429,433 0.752,434 -0.343,435 2.352,436 0.355,437 -0.551,438 -0.66,439 -1.325,440 -0.498,441 0.578,442 -0.465,443 2.175,444 0.126,445 -0.832,446 -1.08,448 -2.113,449 -0.779,450 0.177,451 -1.006,452 1.633,453 -0.223,454 -1.152,455 -1.5,457 -3.416,458 -1.063,459 9.567,460 0.456,461 0.554,462 0.026,463 31,464 1.476,465 16,466 0.762,467 15,468 0.714,469 12.803,470 0.61,471 22.833,472 0.652,473 21.743,474 1.035,475 6.382,476 0.304,477 3.736,478 0.178,479 0.188,481 0.418,485 1.103,486 1.429,487 0.757,488 1.086,489 1.273,490 0.857,491 1.136,492 0.85,493 0.675,494 0.745,495 0.722,496 0.653,497 1.191,498 1.225,499 0.92,500 1.038,501 0.983,502 0.929,503 0.671,504 1.188,505 0.996,506 1.306,507 0.667,508 1.255,509 1.061,510 1.009,511 1.125,512 1.071,513 1.107,514 1.09,515 1.071,516 0.782,517 1.002,518 0.799,519 0.856,520 0.883,521 0.836,522 1.393,523 0.993,524 1.384,525 0.818,526 1.258,527 1.053,528 0.858,529 1.16,530 0.869,531 1.201,532 0.993,533 5,534 0.037,535 2.444,536 1.882,537 1.428,538 0.903,539 0.38,540 0.328,541 0.204,542 0.08,543 3952,544 12539,545 2.045,546 40,548 9,551 5,555 1.635,556 1.881,557 3.067,558 2.892,560 1,562 1,564 60.606,565 1.732,566 3.718,567 4.207,568 4.515,569 4.572,570 4.743,571 2.506,572 4.107,573 4.363,574 3.163,575 664.185,576 7.491,577 6831.58,578 1,579 1,582 179.525,583 1.51,584 4.305,585 0.217,586 0.009,587 0.074,588 0.055,589 0.046,590 0.038,591 0.018,592 0.017,593 0.016,594 0.011,595 0.502,596 0.5,597 1,598 0.988,599 93.326,600 -0.223,601 -0.196,602 0.014,603 -0.048,604 -0.351,605 0.043,606 -0.008,607 0.234,608 0.224,609 0.268,610 0.16,611 0.275,612 -0.192,613 -0.06,614 -0.083,615 -0.052,616 -0.12,617 -0.044,618 0.26,619 -0.075,620 -0.141,621 -0.293,622 0.185,623 -0.324,624 -0.178,625 -0.045,626 -0.153,627 -0.108,628 -0.184,629 -0.11,630 -0.01,631 0.094,632 0.035,633 0.182,634 0.016,635 0.126,636 0.079,637 -0.406,638 -0.058,639 -0.376,640 0.115,641 -0.273,642 -0.077,643 0.027,644 -0.106,645 0.023,646 -0.089,647 -0.026,648 1.572,649 1.86,650 0.714,651 14.599,652 1.023,653 1.145,654 1.794,655 3.217,656 0.657,657 3.178,658 3.526,659 3.829,660 4.127,661 4.344,662 4.477,663 4.554,664 4.635,665 4.663,666 4.615,667 4.959,668 0.648,669 286.33,670 3.178,671 4.727,672 5.595,673 6.494,674 7.381,675 8.286,676 9.181,677 10.089,678 10.987,679 11.896,680 17.1,684 2,688 1,690 3,694 2,695 3,696 3,697 1,700 6,702 16,711 2,716 2,718 35,719 16,720 1,721 23,723 37,724 13,725 11,726 3,727 3,729 3,730 4,741 11,742 2,753 1,754 1,757 14,758 7,759 5,760 8,763 1,764 6,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,806 2,810 21,811 2,818 2,829 5.7,834 2,836 11.167,837 6.85,838 4.694,839 1.703,840 3.221,841 1.467,842 1.006,843 3.467,844 10.116,845 3.466,846 4.155,847 4.823,848 5.487,849 6.052,850 6.478,851 6.897,852 7.341,853 7.654,854 7.943,855 0.833,856 34,857 7.649,859 3.201,860 7.873,861 14.166,863 11.113,865 2.373,866 49.833,870 105.94,871 74.282,872 132.936,874 22,877 74.282,878 127.94,879 132.936,880 21.766,882 94.223,883 54.4,884 54.602,885 4.227,886 105.94,888 105.94,889 207.218,890 22,893 105.94,894 22,897 24.872,898 131.99,899 50.357,901 105.94,902 154.936,903 74.282,906 105.94,907 24.087,908 50.195,909 16.786,910 138.151,911 105.94,912 154.936,913 74.282,915 0.582,916 0.355,917 0.198,918 0.109,919 17,920 8,921 0.081,922 3,923 1,924 1.133,925 3.237,926 165.968,927 0.133,928 15,929 92.239,933 13.761,934 5.291,935 2.423,936 0.949,937 138.151,938 5.419,939 12.37,940 3.063,943 2.956,945 82.58,946 335.158,947 31,956 35.8,957 40.069,958 0.338,959 0.725,960 0.82,961 0.88,962 0.891,963 0.925,964 4.7,965 0.77,966 5.602,967 3.183,968 4.205,969 4.84,970 1.376,971 6.45,972 4.07,973 5.948,974 0.486,975 7.186,976 2.14,977 3.892,978 4.808,980 7.402,981 3.712,982 7.286,983 0.463,984 8.865,985 0.828,986 5.838,987 7.169,988 1.159,989 10.507,990 5.596,991 8.663,992 -0.258,993 10.597,994 0.673,995 6.312,996 7.939,998 12.257,999 6.024,1000 10.068,1001 -0.47,1002 12.364,1003 -0.626,1004 7.753,1005 9.792,1006 0.963,1007 14.888,1008 7.417,1009 11.494,1010 -0.551,1011 14.154,1012 -1.02,1013 8.587,1014 10.942,1016 16.979,1017 8.203,1018 12.937,1019 -0.832,1020 15.963,1021 -1.325,1022 9.836,1023 12.589,1024 0.787,1025 19.438,1026 9.408,1027 3.187,1028 -1.152,1029 17.785,1030 -2.113,1031 10.838,1032 13.926,1034 21.677,1035 10.358,1036 2.911,1037 10.71,1038 19.619,1039 -3.416,1040 12.014,1041 15.487,1042 0.634,1043 24.07,1044 11.489,1045 2.387,1046 9.717,1047 21.461,1048 4.571,1049 13.092,1050 16.914,1052 26.373,1053 12.514,1054 2.13,1055 7.048,1056 23.311,1057 3.976,1058 14.242,1059 18.44,1060 0.504,1061 28.741,1062 13.617,1063 1.993,1064 6.072,1065 25.166,1066 3.199,1067 15.354,1068 19.909,1070 31.072,1071 14.676,1072 1.744,1073 5.833,1074 27.027,1075 2.849,1076 16.497,1077 21.423,1078 0.395,1079 33.431,1080 15.769,1081 1.198,1082 5.151,1083 28.891,1084 2.741,1085 17.626,1086 22.914,1088 35.775,1089 16.845,1090 3943,1091 7136,1092 15.027,1093 22.989,1094 34.613,1095 35.33,1096 36.547,1097 34.466,1098 34.539,1099 47.003,1100 3.44,1101 102.712,1102 32.058,1103 5.31,1104 5.253,1105 6.2,1106 5.208,1107 5.187,1108 7.571,1109 1.72,1110 17.753,1111 5.022,1112 11.283,1113 1.505,1114 1.536,1115 1.589,1116 1.499,1117 1.502,1118 2.044,1119 0.15,1120 4.466,1121 1.394,1122 4.108,1123 4.157,1124 4.09,1125 3.949,1126 5.347,1127 3.977,1128 3.857,1129 3.88,1130 3.817,1131 3.734,1132 4.995,1133 3.754,1134 3.39,1135 3.468,1136 3.328,1137 3.12,1138 4.947,1139 3.163,1140 3.282,1141 3.343,1142 3.121,1143 2.977,1144 4.787,1145 2.997,1146 3.163,1147 3.248,1148 2.975,1149 2.892,1150 4.57,1151 2.896,1152 3.089,1153 3.212,1154 2.948,1155 2.755,1156 4.219,1157 2.796,1158 2.782,1159 2.857,1160 2.597,1161 2.644,1162 4.068,1163 2.622,1164 2.692,1165 2.767,1166 2.537,1167 2.535,1168 3.805,1169 2.53,1170 0.201,1171 0.141,1172 0.289,1173 0.18,1174 0.139,1175 4.621,1176 0.199,1177 3.253,1178 0.037,1179 6.642,1180 0.466,1181 4.135,1182 0.131,1183 3.187,1184 4.571,1185 0.86,1186 10.71,1187 3.022,1188 1.894,1189 1.878,1190 1.976,1191 2.017,1192 1.092,1193 1.998,1194 1.781,1195 1.733,1196 1.819,1197 1.989,1198 0.819,1199 1.951,1200 1.333,1201 1.277,1202 1.591,1203 1.621,1204 0.588,1205 1.594,1206 1.206,1207 1.133,1208 1.557,1209 1.541,1210 0.567,1211 1.544,1212 1.126,1213 1.034,1214 1.391,1215 1.425,1216 0.388,1217 1.446,1218 0.998,1219 0.897,1220 1.267,1221 1.377,1222 0.159,1223 1.358,1224 0.821,1225 0.742,1226 1.103,1227 1.174,1229 1.155,1230 0.791,1231 0.694,1232 1.068,1233 0.991,1235 1.031,1236 3.85,1238 5.187,1239 2.398,1240 6.725,1241 4.727,1242 8.357,1243 6.862,1244 10.037,1246 3.168,1250 11.375,1254 10.532,1262 22.665,1263 60.606,1264 130.141,1265 147.26,1266 158.015,1267 160.015,1268 166.015,1269 26.114,1270 6.896,1271 124.96,1272 124.96,1273 17,1274 12.414,1275 4.087,1276 3.17,1277 32.085,1278 62,1279 66,1280 0.264,1281 141.557,1282 228.78,1283 337.159,1284 7718,1286 14.983,1287 0.713,1288 0.55,1289 14.983,1290 11.545,1291 10.118,1292 0.44,1293 0.267,1294 5.967,1295 9.491,1296 5.803,1297 4.856,1298 10.118,1299 6.132,1300 9.129,1301 0.277,1302 0.131,1303 9.129,1304 4.316,1305 7.853,1306 0.175,1307 0.068,1308 7.853,1309 3.053,1310 6.787,1311 0.111,1312 0.034,1313 6.787,1314 2.061,1315 5.261,1316 0.069,1317 0.017,1318 5.261,1319 1.309,1320 0.399,1321 65.147,1322 0.258,1323 20.4,1324 0.766,1325 112,1326 377.364,1327 128.359,1328 360.271,1329 499.06,1330 338,1331 134,1332 378.485,1333 150.25,1334 383.077,1335 560.9,1336 357,1337 6.048}
{0 CHEMBL421712,1 1.462,2 7.684,3 1.148,4 1.318,5 81.631,6 6.983,7 0.6,8 3.7,9 3.867,10 3.183,11 3.156,12 4.88,13 3.141,14 4.152,15 4.364,16 3.524,17 3.518,18 5.27,19 3.472,20 4.344,21 4.563,22 3.631,23 3.666,24 5.428,25 3.616,26 4.431,27 4.64,28 3.62,29 3.725,30 5.568,31 3.647,32 4.58,33 4.839,34 3.432,35 3.709,36 5.63,37 3.584,38 4.55,39 4.871,40 3.203,41 3.512,42 5.499,43 3.341,44 4.236,45 4.554,46 2.9,47 3.182,48 5.185,49 3.02,50 3.962,51 4.279,52 2.569,53 2.878,54 4.927,55 2.715,56 0.068,57 0.588,58 8.458,59 2.532,60 12.556,61 4.147,62 0.17,63 0.847,64 13.849,65 4.763,66 20.056,67 7.259,68 0.157,69 0.999,70 16.953,71 5.093,72 18.723,73 8.331,74 0.158,75 1.064,76 18.326,77 5.79,78 26.778,79 9.295,80 0.241,81 1.064,82 22.378,83 5.887,84 42.39,85 10.198,86 0.301,87 0.874,88 22.808,89 6.187,90 47.834,91 10.504,92 0.261,93 0.636,94 16.673,95 4.186,96 33.639,97 7.276,98 0.178,99 0.474,100 12.645,101 2.865,102 26.889,103 5.284,104 30,105 28,106 0.268,107 0.638,108 0.797,109 0.868,110 0.868,111 0.868,112 3.011,113 0.909,114 -2.99,115 -2.99,116 -2.88,119 35.1,120 1,121 1,124 1,139 3,140 2,141 2,143 1,144 1,147 1,157 3,158 3,159 3,166 5,169 1,170 3,172 3,173 3,175 3,178 5,180 2,182 3,186 1,187 5,188 1,189 4,191 3,193 5,195 1,196 1,197 1,198 8,200 2,201 3,204 7,205 1,207 3,212 5,215 3,218 4,223 2,224 2,225 1,226 3,228 2,229 1,231 3,232 1,237 2,238 1,239 3,240 1,243 2,250 1,251 1,253 2,258 1,264 1,267 1,273 414,274 12.602,275 12.602,276 12.602,277 12.602,278 12.602,279 11.059,280 17.405,281 7.221,282 12.877,283 9.704,284 9.704,285 9.704,286 9.704,287 9.704,288 7.313,289 23.109,290 3.207,291 10.126,292 3.748,293 1.727,294 0.859,295 0.473,296 0.473,297 0.473,298 3.661,301 1,302 1,303 296,304 2.345,307 121.503,314 1.102,315 16.649,318 0.75,319 0.83,320 0.83,321 0.9,323 0.83,324 1,325 0.74,326 41,327 146,328 4.532,329 3.248,330 6.769,331 4.147,332 3.17,333 4.253,334 0.4,335 11.07,336 3.101,337 4.156,338 2.91,339 6.032,340 3.746,341 2.779,342 3.78,344 8.579,345 2.684,346 3.62,347 2.358,348 5.313,349 3.201,350 2.265,351 2.997,353 6.653,354 2.119,355 3.3,356 2.223,357 5.038,358 2.933,359 1.985,360 2.549,362 5.703,363 1.878,364 3.118,365 1.885,366 4.771,367 2.702,368 1.751,369 2.339,371 4.996,372 1.659,373 2.847,374 1.627,375 4.165,376 2.442,377 1.473,378 1.978,380 3.697,381 1.426,382 1.888,383 0.914,384 3.35,385 1.674,386 0.719,387 0.813,389 1.381,390 0.685,391 1.63,392 0.599,393 2.882,394 1.436,395 0.468,396 0.528,398 0.744,399 0.452,400 1.259,401 0.122,402 2.717,403 0.941,409 0.937,410 -0.102,411 2.417,412 0.626,413 -0.319,414 -0.377,415 -0.626,416 -0.3,417 0.826,418 -0.305,419 2.262,420 0.439,421 -0.478,422 -0.587,423 -1.148,424 -0.437,425 0.651,426 -0.601,427 2.117,428 0.239,429 -0.728,430 -0.904,431 -1.792,432 -0.7,433 0.225,434 -0.768,435 1.73,436 0.003,437 -0.949,438 -1.135,439 -2.229,440 -0.904,441 -0.07,442 -1.249,443 1.453,444 -0.391,445 -1.359,446 -1.727,448 -3.77,449 -1.313,450 -0.228,451 -1.358,452 1.151,453 -0.591,454 -1.512,455 -1.893,457 -4.074,458 -1.387,459 8.9,460 0.468,461 0.524,462 0.028,463 26.25,464 1.382,465 14,466 0.737,467 12.25,468 0.645,469 12.906,470 0.679,471 21.1,472 0.57,473 18.194,474 0.958,475 5.172,476 0.272,477 3.89,478 0.205,479 0.247,481 0.393,485 1.328,486 1.291,487 0.953,488 0.965,489 1.476,490 0.911,491 0.567,492 0.988,493 0.706,494 0.938,495 0.436,496 0.857,497 1.025,498 1.165,499 0.881,500 0.975,501 0.866,502 0.916,503 0.945,504 1.384,505 1.112,506 1.353,507 0.833,508 1.271,509 1.332,510 1.219,511 1.31,512 1.246,513 1.467,514 1.271,515 0.777,516 0.869,517 0.896,518 0.939,519 0.857,520 0.936,521 0.946,522 0.829,523 0.995,524 0.922,525 1.12,526 0.96,527 1.192,528 0.999,529 1.11,530 1.004,531 1.005,532 1.039,533 4.5,535 2.444,536 2.063,537 1.338,538 0.764,539 0.485,540 0.212,541 0.103,542 0.036,543 2680,544 7122,545 1.935,546 48.6,547 3,548 6,551 7,552 2,555 1.608,556 1.754,557 2.907,558 4.913,560 1,562 1,564 54.076,565 1.462,566 3.482,567 4.351,568 4.736,569 4.736,570 4.736,571 2.405,572 4.143,573 4.218,574 3.003,575 513.578,576 7.213,577 4918.99,578 1,579 1,582 192.75,583 1.568,584 4.14,585 0.225,587 0.087,588 0.067,589 0.046,590 0.035,591 0.029,592 0.018,593 0.013,594 0.012,595 0.531,596 0.5,597 1,598 1.072,599 80.812,600 -0.279,601 0.028,602 -0.022,603 0.134,604 -0.378,605 0.101,606 0.306,607 0.176,608 0.228,609 0.16,610 0.288,611 0.179,612 -0.071,613 -0.016,614 0.064,615 0.084,616 -0.033,617 0.093,618 -0.034,619 -0.222,620 -0.183,621 -0.279,622 0.064,623 -0.258,624 -0.303,625 -0.184,626 -0.347,627 -0.274,628 -0.322,629 -0.311,630 0.135,631 -0.037,632 0.092,633 -0.005,634 0.123,635 0.031,636 0.095,637 0.023,638 0.007,639 -0.027,640 -0.04,641 -0.024,642 -0.089,643 -0.146,644 -0.101,645 -0.134,646 0.035,647 -0.122,648 1.474,649 1.972,650 0.632,651 11.884,652 0.998,653 1.148,654 1.757,655 3.086,656 0.638,657 3.045,658 3.367,659 3.638,660 3.892,661 4.043,662 4.078,663 4.043,664 4.007,665 3.784,666 3.611,667 4.511,668 0.602,669 258.37,670 3.045,671 4.575,672 5.425,673 6.312,674 7.18,675 8.072,676 8.947,677 9.841,678 10.717,679 11.612,680 16.2,684 3,685 1,690 2,695 3,696 2,700 7,702 12,711 3,712 1,718 37,719 12,720 1,721 20,723 38,724 13,725 10,726 3,727 3,729 2,730 2,734 1,739 1,741 10,742 3,753 1,754 1,757 18,758 6,759 7,760 6,764 6,769 1,776 1,781 2,802 2,806 2,810 19,811 3,816 1,817 1,836 10.833,837 6.9,838 4.361,839 2.082,840 2.345,841 1.378,842 0.989,843 3.878,844 8.552,845 3.296,846 3.932,847 4.527,848 5.112,849 5.635,850 5.887,851 6.148,852 6.436,853 6.602,854 6.784,855 1,856 31,857 6.939,859 2.826,860 7.798,861 13.061,863 10.189,865 2.298,866 43.667,867 0.001,870 129.482,871 67.053,872 150.273,877 67.053,878 129.482,879 150.273,880 17.222,881 2.535,882 127.12,883 51.582,884 14.641,885 4.227,886 129.482,888 129.482,889 217.327,893 129.482,897 16.016,898 149.729,899 51.582,901 129.482,902 150.273,903 67.053,906 129.482,907 21.403,908 45.65,909 18.011,910 132.263,911 129.482,912 150.273,913 67.053,915 0.578,916 0.357,917 0.199,918 0.101,919 13,920 7,921 0.079,922 3,924 1,925 2.954,926 137.625,928 12,929 80.711,933 13.584,934 5.424,935 2.619,937 150.273,938 5.697,939 8.25,943 4.604,945 116.702,946 346.809,947 26,956 36.912,957 42.481,958 0.281,959 0.668,960 0.835,961 0.909,962 0.909,963 0.909,964 4.522,965 0.468,966 5.434,967 1.381,968 4.043,969 4.615,970 0.278,971 6.275,972 3.965,973 5.757,975 7.02,976 0.744,977 3.761,978 4.559,980 7.265,981 3.649,982 7.087,983 -0.319,984 8.705,986 5.666,987 6.867,988 0.05,989 10.36,990 5.529,991 8.452,992 -0.478,993 10.445,994 -0.626,995 6.155,996 7.56,998 12.157,999 5.993,1000 9.846,1001 -0.728,1002 12.222,1003 -1.148,1004 7.577,1005 9.39,1006 0.008,1007 14.796,1008 7.395,1009 11.259,1010 -0.949,1011 14.023,1012 -1.792,1013 8.42,1014 10.439,1016 16.942,1017 8.219,1018 12.688,1019 -1.359,1020 15.843,1021 -2.229,1022 9.659,1023 12.063,1024 0.001,1025 19.423,1026 9.439,1027 3.17,1028 -1.512,1029 17.679,1030 -3.77,1031 10.664,1032 13.295,1034 21.717,1035 10.425,1036 2.779,1037 11.07,1038 19.527,1039 -4.074,1040 11.834,1041 14.822,1043 24.143,1044 11.577,1045 2.265,1046 8.579,1047 21.384,1048 4.253,1049 12.913,1050 16.149,1052 26.499,1053 12.636,1054 1.985,1055 6.653,1056 23.251,1057 3.78,1058 14.059,1059 17.627,1061 28.906,1062 13.764,1063 1.751,1064 5.703,1065 25.124,1066 2.997,1067 15.171,1068 19.005,1070 31.288,1071 14.856,1072 1.473,1073 4.996,1074 27.002,1075 2.549,1076 16.311,1077 20.461,1079 33.691,1080 15.977,1081 0.719,1082 3.697,1083 28.886,1084 2.339,1085 17.439,1086 21.866,1088 36.085,1089 17.085,1090 2827,1091 4695,1092 12.542,1093 23.603,1094 29.38,1095 29.383,1096 31.841,1097 29.282,1098 29.223,1099 38.473,1100 0.8,1101 85.649,1102 28.005,1103 5.21,1104 5.248,1105 6.31,1106 5.217,1107 5.17,1108 7.253,1109 0.8,1110 17.96,1111 5.101,1112 11.513,1113 1.469,1114 1.469,1115 1.592,1116 1.464,1117 1.461,1118 1.924,1119 0.04,1120 4.282,1121 1.4,1122 4.016,1123 4.053,1124 3.98,1125 3.931,1126 5.288,1127 3.938,1128 3.778,1129 3.834,1130 3.728,1131 3.627,1132 5.101,1133 3.645,1134 3.394,1135 3.486,1136 3.204,1137 3.197,1138 4.978,1139 3.187,1140 3.309,1141 3.413,1142 3.145,1143 3.057,1144 4.551,1145 3.066,1146 3.096,1147 3.215,1148 2.943,1149 2.827,1150 4.403,1151 2.839,1152 3.019,1153 3.133,1154 2.857,1155 2.774,1156 4.136,1157 2.782,1158 2.822,1159 2.927,1160 2.633,1161 2.562,1162 3.965,1163 2.574,1164 2.636,1165 2.744,1166 2.421,1167 2.391,1168 3.609,1169 2.383,1170 0.227,1171 0.162,1172 0.338,1173 0.207,1174 0.158,1175 4.532,1176 0.213,1177 3.248,1178 0.02,1179 6.769,1180 0.554,1181 4.147,1182 0.155,1183 3.17,1184 4.253,1185 0.4,1186 11.07,1187 3.101,1188 1.965,1189 1.939,1190 2.046,1191 2.076,1192 1.195,1193 2.067,1194 1.722,1195 1.673,1196 1.879,1197 1.907,1198 1.021,1199 1.896,1200 1.388,1201 1.302,1202 1.663,1203 1.635,1204 0.693,1205 1.66,1206 1.274,1207 1.171,1208 1.586,1209 1.566,1210 0.56,1211 1.586,1212 1.013,1213 0.92,1214 1.287,1215 1.377,1216 0.19,1217 1.362,1218 0.961,1219 0.869,1220 1.259,1221 1.297,1222 0.132,1223 1.3,1224 0.787,1225 0.68,1226 1.125,1227 1.09,1228 0.057,1229 1.112,1230 0.626,1231 0.519,1232 1.008,1233 0.91,1235 0.948,1236 3.714,1238 5.03,1240 6.561,1242 8.193,1244 9.876,1246 3.819,1250 17.555,1252 0.722,1253 3.019,1262 22.289,1263 54.076,1264 128.834,1265 160.975,1266 175.24,1267 175.24,1268 175.24,1269 28.696,1270 6.207,1271 115.87,1272 115.87,1273 12,1274 12.141,1275 3.7,1276 2.807,1277 33.444,1278 50,1279 56,1280 0.341,1281 143.885,1282 237.1,1283 342.841,1284 3042,1286 13.991,1287 0.736,1288 0.582,1289 13.991,1290 11.066,1291 9.062,1292 0.453,1293 0.303,1294 5.975,1295 8.743,1296 5.768,1297 4.88,1298 9.062,1299 6.059,1300 8.018,1301 0.286,1302 0.15,1303 8.018,1304 4.194,1305 6.661,1306 0.18,1307 0.08,1308 6.661,1309 2.974,1310 5.772,1311 0.12,1312 0.043,1313 5.772,1314 2.063,1315 4.116,1316 0.073,1317 0.022,1318 4.116,1319 1.259,1320 0.508,1321 56.613,1322 0.282,1323 18.543,1324 1.016,1325 96,1326 251.56,1327 104.798,1328 256.161,1329 357.87,1330 238,1331 113,1332 276.577,1333 121.188,1334 284.053,1335 413.04,1336 267,1337 4.824}
{0 CHEMBL422395,1 1.699,2 14.629,3 3.304,4 10.916,5 126.997,6 8.233,7 0.459,8 4.168,9 4.273,10 3.778,11 3.655,12 5.487,13 3.677,14 4.635,15 4.777,16 4.142,17 4.021,18 6.047,19 4.017,20 4.927,21 5.099,22 4.22,23 4.192,24 6.186,25 4.169,26 5.052,27 5.247,28 4.206,29 4.225,30 6.318,31 4.186,32 5.046,33 5.24,34 4.196,35 4.224,36 6.425,37 4.174,38 4.999,39 5.203,40 4.145,41 4.184,42 6.448,43 4.119,44 4.889,45 5.085,46 4.044,47 4.091,48 6.25,49 4.032,50 4.82,51 5.03,52 3.953,53 3.942,54 6.132,55 3.911,56 0.234,57 0.85,58 10.06,59 4.742,60 43.542,61 5.406,62 0.579,63 1.314,64 17.718,65 7.695,66 92.812,67 9.628,68 0.726,69 1.624,70 26.684,71 9.988,72 116.845,73 12.522,74 0.959,75 1.713,76 33.293,77 11.413,78 155.703,79 14.478,80 1.06,81 1.667,82 33.425,83 12.036,84 191.848,85 15.375,86 1.154,87 1.59,88 32.484,89 11.908,90 189.748,91 15.552,92 0.783,93 1.436,94 28.178,95 10.829,96 151.66,97 14.041,98 0.758,99 1.342,100 27.437,101 8.755,102 121.763,103 11.351,104 82,105 51,106 0.274,107 0.692,108 0.827,109 0.889,110 0.895,111 0.895,112 3.588,113 0.849,114 -3.83,115 -3.79,116 -3.6,119 41.4,121 2,125 2,127 1,137 1,138 1,139 7,140 3,141 1,143 1,144 1,147 1,153 3,157 1,158 1,159 1,161 2,165 2,166 10,167 1,169 1,170 9,172 2,173 6,175 4,176 1,178 8,179 2,182 12,185 1,186 1,187 6,189 4,190 1,193 10,194 1,196 1,197 1,198 7,199 1,200 1,201 6,202 1,203 1,204 2,206 1,207 3,208 2,210 2,211 1,212 4,213 2,215 16,216 2,218 2,220 4,221 2,222 1,224 4,225 1,226 3,229 20,230 3,231 1,233 1,234 3,237 1,239 3,241 11,242 2,246 11,247 1,248 1,249 1,251 7,254 2,255 2,259 1,260 12,263 1,265 8,273 2423,274 22.955,275 22.955,276 22.955,277 22.955,278 22.955,279 20.231,280 27.234,281 13.573,282 23.292,283 18.203,284 18.203,285 18.203,286 18.203,287 18.203,288 13.999,289 31.551,290 6.367,291 18.773,292 4.159,293 1.566,294 0.731,295 0.345,296 0.31,297 0.31,298 4.266,301 1,303 1061,304 4.95,307 358.674,311 192.431,314 2.325,315 57.254,318 0.5,319 0.33,320 0.5,321 0.4,323 0.5,324 0.5,325 0.39,326 78.5,327 512,328 4.542,329 3.777,330 6.503,331 4.051,332 3.085,333 4.491,334 2.375,335 10.183,336 2.983,337 4.241,338 3.592,339 6.193,340 3.913,341 2.933,342 3.802,343 2.341,344 9.219,345 2.883,346 3.999,347 3.522,348 6.081,349 3.762,350 2.802,351 3.301,352 1.102,353 8.798,354 2.681,355 3.833,356 3.249,357 5.818,358 3.567,359 2.574,360 3.169,361 1.061,362 7.845,363 2.537,364 3.713,365 3.122,366 5.297,367 3.3,368 2.334,369 2.995,370 0.461,371 6.807,372 2.255,373 3.524,374 2.553,375 5.062,376 3.178,377 2.172,378 2.811,379 0.14,380 5.804,381 2.155,382 3.469,383 2.329,384 4.973,385 2.968,386 2.036,387 2.695,389 5.761,390 1.891,391 3.428,392 2.217,393 4.645,394 2.901,395 1.957,396 2.685,398 5.121,399 1.838,400 3.367,401 2.142,402 4.442,403 2.669,404 1.687,405 2.2,407 4.393,408 1.646,409 2.967,410 2.097,411 4.11,412 2.35,413 1.362,414 1.87,415 3.465,416 1.332,417 2.556,418 1.908,419 3.709,420 2.127,421 1.114,422 1.5,423 2.57,424 1.113,425 2.5,426 1.242,427 3.61,428 2,429 1.008,430 1.44,431 2.565,432 1,433 2.454,434 1.113,435 3.414,436 1.974,437 1,438 1.396,439 2.275,440 0.968,441 2.407,442 1.103,443 3.155,444 1.836,445 0.859,446 1.202,448 1.629,449 0.837,450 1.571,451 1,452 2.89,453 1.343,454 0.342,455 0.386,457 0.776,458 0.336,459 16,460 0.457,461 1,462 0.029,463 46.5,464 1.329,465 24,466 0.686,467 22.5,468 0.643,469 28.117,470 0.803,471 38,472 0.655,473 42.682,474 1.219,475 9.627,476 0.275,477 7.045,478 0.201,479 0.181,481 0.369,485 0.902,486 1.244,487 0.774,488 0.975,489 0.822,490 0.856,491 0.475,492 1.119,493 0.758,494 1.057,495 0.425,496 0.993,497 0.932,498 1.18,499 1.024,500 1.091,501 0.903,502 1.079,503 1.056,504 0.999,505 1.075,506 0.999,507 1.014,508 1.03,509 0.895,510 0.977,511 1.012,512 1.026,513 0.95,514 1.053,515 0.632,516 0.769,517 0.932,518 0.955,519 0.718,520 1.018,521 0.751,522 1.087,523 0.933,524 1.132,525 0.814,526 1.102,527 1.102,528 0.989,529 1.024,530 0.942,531 1.026,532 0.95,533 8.5,534 0.276,535 4.222,536 2.313,537 2.28,538 1.236,539 0.831,540 0.656,541 0.537,542 0.288,543 18097,544 66508,545 1.962,546 39.7,548 12,549 1,551 6,552 2,553 2,555 1.766,556 1.795,557 3.791,558 3.134,560 1,564 98.562,565 1.699,566 4.292,567 5.127,568 5.513,569 5.548,570 5.548,571 3.254,572 4.765,573 5.099,574 4.006,575 2383.37,576 8.945,577 38858.7,582 339.763,583 1.54,584 5.033,585 0.23,586 0.009,587 0.083,588 0.043,589 0.044,590 0.024,591 0.017,592 0.015,593 0.013,594 0.008,595 0.486,596 0.17,597 0.75,598 1.759,599 192.273,600 -0.166,601 -0.05,602 -0.03,603 0.077,604 -0.144,605 0.066,606 0.228,607 0.035,608 0.05,609 -0.035,610 0.2,611 -0.045,612 -0.107,613 -0.113,614 -0.131,615 -0.09,616 -0.108,617 -0.112,618 -0.137,619 -0.005,620 -0.109,621 -0.009,622 -0.118,623 -0.041,624 0.021,625 -0.017,626 -0.042,627 -0.008,628 -0.003,629 -0.037,630 0.231,631 0.187,632 0.045,633 0.067,634 0.158,635 0.016,636 0.071,637 -0.14,638 0.023,639 -0.086,640 0.046,641 -0.055,642 -0.163,643 -0.009,644 -0.025,645 0.027,646 -0.102,647 0.041,648 2.981,649 5.47,650 0.457,651 43.734,652 1.025,653 1.129,654 2.605,655 6.785,656 0.666,657 3.638,658 3.951,659 4.159,660 4.382,661 4.615,662 4.673,663 4.754,664 4.844,665 4.99,666 4.949,667 8.525,668 0.658,669 477.52,670 3.638,671 5.176,672 6.004,673 6.872,674 7.723,675 8.594,676 9.454,677 10.327,678 11.191,679 12.066,680 8.6,684 1,686 1,687 1,690 2,694 2,695 7,696 2,700 5,702 17,707 1,711 1,714 1,715 1,718 58,719 21,720 2,721 37,723 60,724 24,725 14,726 5,727 7,728 1,729 3,730 4,739 3,740 2,741 17,742 5,744 3,748 3,751 3,757 23,758 11,759 6,760 11,764 5,769 0.667,770 6,776 1,781 3,785 1,788 1,789 1,792 2,800 2,802 2,810 35,811 1,815 3,816 4,817 1,820 1,821 1,823 1,824 1,827 1,829 10.3,831 3,832 3,836 19.5,837 10.033,838 7.806,839 3.1,840 3.432,841 1.444,842 0.912,843 8.478,844 11.158,845 3.942,846 4.5,847 5.002,848 5.558,849 6.139,850 6.42,851 6.768,852 7.099,853 7.538,854 7.575,855 0.9,856 54,857 12.97,859 5.626,860 8.3,861 23.313,863 18.567,865 2.8,866 98,870 200.109,871 138.235,872 87.603,874 203.485,877 138.235,878 403.594,879 87.603,881 27.291,882 99.231,883 243.58,884 16.969,885 54.022,886 188.338,888 200.109,889 225.838,890 203.485,893 176.567,894 227.027,897 31.334,898 143.902,899 50.602,901 200.109,902 291.088,903 138.235,906 200.109,907 31.549,908 69.458,909 35.041,910 293.274,911 200.109,912 291.088,913 138.235,915 0.579,916 0.324,917 0.169,918 0.098,919 21,920 12,921 0.167,922 10,923 1,924 1.125,925 4.456,926 312.107,927 0.125,928 16,929 175.525,933 25.76,934 11.519,935 6.825,936 0.945,937 291.088,938 11.651,939 7.853,943 1.481,945 178.958,946 629.431,947 50.5,951 34.509,954 -3.102,956 59.425,957 65.485,958 0.29,959 0.733,960 0.875,961 0.941,962 0.947,963 0.947,964 5.183,965 1.957,966 5.999,967 5.761,968 4.635,969 5.187,970 3.161,971 6.786,972 4.575,973 6.401,974 1.687,975 7.551,976 5.121,977 4.29,978 5.056,979 2.903,980 7.647,981 4.194,982 7.707,983 1.362,984 9.199,985 4.393,986 6.213,987 7.357,988 4.406,989 10.698,990 6.094,991 9.041,992 1.114,993 10.9,994 3.465,995 6.621,996 8.005,997 4.835,998 12.341,999 6.468,1000 10.4,1001 1.008,1002 12.636,1003 2.57,1004 8.054,1005 9.839,1006 5.953,1007 14.916,1008 7.878,1009 11.779,1010 1,1011 14.394,1012 2.565,1013 8.811,1014 10.882,1015 6.633,1016 16.901,1017 8.602,1018 13.174,1019 0.859,1020 16.169,1021 2.275,1022 10.043,1023 12.522,1024 7.605,1025 19.296,1026 9.81,1027 3.085,1028 0.342,1029 17.957,1030 1.629,1031 10.972,1032 13.78,1033 8.385,1034 21.44,1035 10.706,1036 2.933,1037 10.183,1038 19.755,1039 0.776,1040 12.119,1041 15.332,1042 9.295,1043 23.766,1044 11.828,1045 2.802,1046 9.219,1047 21.561,1048 4.491,1049 13.132,1050 16.706,1051 10.118,1052 25.985,1053 12.809,1054 2.574,1055 8.798,1056 23.374,1057 3.802,1058 14.245,1059 18.222,1060 11,1061 28.286,1062 13.895,1063 2.334,1064 7.845,1065 25.192,1066 3.301,1067 15.301,1068 19.655,1069 11.843,1070 30.543,1071 14.919,1072 2.172,1073 6.807,1074 27.015,1075 3.169,1076 16.402,1077 21.157,1078 12.712,1079 32.838,1080 15.991,1081 2.036,1082 5.804,1083 28.842,1084 2.995,1085 17.479,1086 22.621,1087 13.563,1088 35.114,1089 17.037,1090 17971,1091 34565,1092 23.581,1093 38.608,1094 56.538,1095 57.498,1096 57.103,1097 54.967,1098 54.85,1099 72.298,1100 14.959,1101 155.176,1102 53.212,1103 5.453,1104 5.777,1105 6.267,1106 5.122,1107 5.085,1108 7.491,1109 3.989,1110 17.077,1111 4.983,1112 23.358,1113 1.528,1114 1.554,1115 1.543,1116 1.486,1117 1.482,1118 1.954,1119 0.404,1120 4.194,1121 1.438,1122 4.078,1123 4.108,1124 4.045,1125 3.988,1126 7.477,1127 3.997,1128 3.946,1129 3.975,1130 3.898,1131 3.861,1132 7.471,1133 3.865,1134 3.764,1135 3.803,1136 3.679,1137 3.589,1138 7.428,1139 3.602,1140 3.598,1141 3.648,1142 3.524,1143 3.448,1144 6.476,1145 3.457,1146 3.457,1147 3.5,1148 3.395,1149 3.288,1150 6.352,1151 3.303,1152 3.429,1153 3.452,1154 3.355,1155 3.177,1156 6.35,1157 3.222,1158 3.213,1159 3.225,1160 3.168,1161 2.999,1162 5.43,1163 3.033,1164 3.078,1165 3.127,1166 2.994,1167 2.897,1168 5.204,1169 2.91,1170 0.123,1171 0.102,1172 0.176,1173 0.109,1174 0.083,1175 4.542,1176 0.121,1177 3.777,1178 0.064,1179 6.503,1180 0.275,1181 4.051,1182 0.081,1183 3.085,1184 4.491,1185 2.375,1186 10.183,1187 2.983,1188 2.019,1189 1.994,1190 2.09,1191 2.127,1192 1.252,1193 2.115,1194 1.914,1195 1.889,1196 2.007,1197 2.024,1198 1.22,1199 2.018,1200 1.705,1201 1.664,1202 1.898,1203 1.906,1204 1.105,1205 1.9,1206 1.552,1207 1.504,1208 1.715,1209 1.738,1210 0.847,1211 1.731,1212 1.389,1213 1.34,1214 1.535,1215 1.613,1216 0.583,1217 1.583,1218 1.304,1219 1.283,1220 1.469,1221 1.577,1222 0.574,1223 1.554,1224 1.107,1225 1.078,1226 1.322,1227 1.354,1228 0.313,1229 1.328,1230 1.009,1231 0.973,1232 1.213,1233 1.285,1234 0.218,1235 1.253,1236 4.317,1238 5.631,1240 7.127,1242 8.711,1244 10.345,1250 5.567,1251 28.078,1252 0.016,1253 2.336,1256 -1.32,1257 1.866,1259 5.536,1261 2.584,1262 38.137,1263 98.562,1264 248.911,1265 297.357,1266 319.763,1267 321.763,1268 321.763,1269 109.808,1270 7.726,1271 178.97,1272 178.97,1273 18,1274 12.608,1275 4.459,1276 3.858,1277 70.729,1278 179,1279 172,1280 0.189,1281 238.699,1282 427.4,1283 574.186,1284 25245,1286 25.535,1287 0.73,1288 0.529,1289 25.535,1290 18.51,1291 16.672,1292 0.451,1293 0.283,1294 10.293,1295 15.924,1296 10.118,1297 8.36,1298 16.672,1299 10.467,1300 15.304,1301 0.3,1302 0.15,1303 15.304,1304 7.661,1305 11.682,1306 0.185,1307 0.082,1308 11.682,1309 5.158,1310 9.456,1311 0.12,1312 0.043,1313 9.456,1314 3.435,1315 7.682,1316 0.077,1317 0.023,1318 7.682,1319 2.293,1320 0.305,1321 105.584,1322 0.206,1323 32.652,1324 0.499,1325 176,1326 630.236,1327 199.054,1328 606.255,1329 789.91,1330 556,1331 202,1332 552.268,1333 221.902,1334 557.102,1335 804,1336 521,1337 7.128}
{0 CHEMBL423123,1 1.728,2 14.781,3 1.279,4 1.636,5 118.188,6 8.12,7 0.5,8 4.102,9 4.221,10 3.697,11 3.573,12 5.396,13 3.595,14 4.567,15 4.714,16 4.064,17 3.95,18 5.979,19 3.94,20 4.864,21 5.051,22 4.112,23 4.089,24 6.107,25 4.061,26 4.934,27 5.139,28 4.046,29 4.057,30 6.187,31 4.016,32 4.911,33 5.13,34 4.013,35 3.993,36 6.295,37 3.948,38 4.782,39 4.983,40 3.934,41 3.928,42 6.26,43 3.879,44 4.736,45 4.948,46 3.799,47 3.857,48 6.125,49 3.792,50 4.587,51 4.819,52 3.659,53 3.727,54 5.753,55 3.663,56 0.227,57 0.826,58 9.847,59 4.192,60 36.357,61 5.091,62 0.523,63 1.25,64 16.944,65 7.32,66 86.637,67 9.44,68 0.72,69 1.506,70 26.279,71 8.853,72 104.561,73 11.891,74 0.832,75 1.506,76 29.957,77 9.43,78 131.295,79 12.642,80 1.058,81 1.394,82 31.067,83 9.423,84 173.098,85 12.893,86 0.912,87 1.242,88 26.084,89 8.815,90 161.626,91 11.895,92 0.875,93 1.161,94 25.752,95 8.537,96 140.973,97 11.352,98 0.517,99 1.034,100 22.365,101 7.381,102 77.738,103 10.353,104 59,105 47,106 0.284,107 0.669,108 0.808,109 0.886,110 0.892,111 0.892,112 3.501,113 0.85,114 -3.26,115 -3.25,116 -3.12,119 38.9,121 2,125 1,127 1,139 7,140 3,141 1,143 1,144 1,147 1,153 3,157 2,158 2,159 2,161 2,165 2,166 9,167 1,169 1,170 5,172 3,173 6,175 7,176 1,178 8,179 2,180 1,182 7,185 1,186 1,187 10,189 5,190 1,191 1,193 5,194 1,195 1,196 1,197 1,198 8,199 1,200 2,201 3,202 1,203 1,204 3,205 1,206 1,207 4,208 2,210 4,211 2,212 6,213 2,214 1,215 9,216 2,218 3,220 1,221 2,222 1,224 2,225 1,226 2,229 12,230 3,233 1,234 5,237 2,238 2,239 4,240 1,241 9,242 3,243 1,246 7,251 5,254 3,255 2,256 2,260 8,265 8,266 1,269 1,270 3,273 1812,274 20.878,275 20.878,276 20.878,277 20.878,278 20.878,279 18.336,280 25.778,281 12.251,282 21.154,283 16.75,284 16.75,285 16.75,286 16.75,287 16.75,288 12.832,289 32.34,290 5.839,291 17.194,292 4.027,293 1.689,294 0.845,295 0.37,296 0.333,297 0.333,298 4.18,301 1,303 986,304 4.528,307 323.12,311 173.503,314 2.371,315 50.766,318 0.5,319 0.67,320 0.5,321 0.4,323 0.5,324 0.5,325 0.44,326 72,327 473,328 4.541,329 3.777,330 6.502,331 4.046,332 3.079,333 4.491,334 2.375,335 10.175,336 2.983,337 4.207,338 3.592,339 6.116,340 3.887,341 2.892,342 3.772,343 2.341,344 8.889,345 2.872,346 3.899,347 3.521,348 5.832,349 3.649,350 2.657,351 3.244,352 1.061,353 7.911,354 2.623,355 3.785,356 3.122,357 5.389,358 3.431,359 2.461,360 3.127,361 0.657,362 7.073,363 2.395,364 3.658,365 2.798,366 5.225,367 3.267,368 2.289,369 2.952,370 0.14,371 6.619,372 2.225,373 3.523,374 2.482,375 5.062,376 3.176,377 2.17,378 2.811,380 5.801,381 2.153,382 3.428,383 2.174,384 4.965,385 2.969,386 2.035,387 2.691,389 5.739,390 1.895,391 3.366,392 2.143,393 4.645,394 2.9,395 1.953,396 2.685,398 5.12,399 1.843,400 2.879,401 2.038,402 4.202,403 2.454,404 1.457,405 1.925,407 3.76,408 1.436,409 2.5,410 1.913,411 3.71,412 2.147,413 1.133,414 1.5,415 2.628,416 1.13,417 2.482,418 1.104,419 3.625,420 2,421 1.008,422 1.435,423 2.565,424 1,425 2.453,426 1.06,427 3.414,428 1.983,429 1,430 1.369,431 2.275,432 0.98,433 1.933,434 1,435 3.261,436 1.67,437 0.722,438 0.841,439 1.736,440 0.682,441 1.571,442 0.97,443 2.845,444 1.341,445 0.342,446 0.386,448 0.774,449 0.336,450 1.39,451 0.548,452 2.72,453 0.988,454 0.038,455 0.049,457 0.094,458 0.036,459 14.567,460 0.455,461 0.949,462 0.03,463 42.75,464 1.336,465 22,466 0.688,467 20.75,468 0.648,469 24.218,470 0.757,471 35.233,472 0.652,473 36.772,474 1.149,475 8.777,476 0.274,477 6.446,478 0.201,479 0.169,481 0.378,485 0.92,486 1.204,487 0.796,488 0.937,489 0.818,490 0.832,491 0.432,492 1.146,493 0.745,494 1.129,495 0.406,496 1.04,497 0.956,498 1.182,499 1.025,500 1.073,501 0.919,502 1.065,503 1.124,504 1.128,505 1.13,506 1.111,507 1.096,508 1.122,509 0.929,510 0.821,511 0.996,512 0.916,513 0.983,514 0.964,515 0.762,516 0.976,517 0.96,518 1.071,519 0.759,520 1.067,521 0.913,522 0.818,523 1.052,524 0.988,525 0.937,526 1.055,527 0.837,528 1.02,529 0.88,530 1.01,531 0.798,532 0.97,533 8,534 0.214,535 3.778,536 1.813,537 2.16,538 1.118,539 0.506,540 0.507,541 0.385,542 0.182,543 15390,544 54869,545 1.976,546 40.7,548 10,551 8,552 2,553 2,555 1.738,556 1.811,557 3.803,558 5.023,560 1,564 93.298,565 1.728,566 4.066,567 4.909,568 5.385,569 5.422,570 5.422,571 3.233,572 4.453,573 4.972,574 4.023,575 1995.56,576 8.659,577 31399,579 1,582 310.764,583 1.531,584 4.907,585 0.235,586 0.009,587 0.08,588 0.038,589 0.05,590 0.027,591 0.013,592 0.015,593 0.013,594 0.007,595 0.488,596 0.17,597 0.75,598 1.667,599 172.929,600 -0.195,601 0.047,602 -0.04,603 0.141,604 -0.159,605 0.111,606 0.256,607 0.026,608 0.061,609 -0.054,610 0.222,611 -0.056,612 -0.116,613 -0.121,614 -0.117,615 -0.062,616 -0.113,617 -0.086,618 -0.183,619 -0.132,620 -0.167,621 -0.125,622 -0.162,623 -0.142,624 0.062,625 0.127,626 0.013,627 0.059,628 0.031,629 0.03,630 0.177,631 -0.02,632 0.01,633 -0.043,634 0.208,635 -0.047,636 0.059,637 0.116,638 -0.059,639 0.029,640 0.057,641 -0.035,642 -0.045,643 -0.089,644 0.105,645 0.021,646 -0.017,647 0.089,648 2.954,649 5.305,650 0.5,651 38.789,652 1.024,653 1.136,654 2.031,655 4.126,656 0.656,657 3.555,658 3.871,659 4.06,660 4.263,661 4.5,662 4.522,663 4.533,664 4.605,665 4.745,666 4.71,667 8.639,668 0.647,669 438.49,670 3.555,671 5.094,672 5.916,673 6.779,674 7.622,675 8.486,676 9.338,677 10.203,678 11.06,679 11.926,680 11.1,684 2,685 1,687 1,690 2,694 2,695 7,696 2,700 5,702 17,707 1,711 2,712 1,718 54,719 20,720 2,721 34,723 56,724 21,725 14,726 5,727 7,728 1,729 3,730 4,739 3,741 17,742 4,744 3,748 3,751 3,754 1,757 22,758 11,759 8,760 11,764 6,769 0.667,770 5,776 1,781 3,785 1,792 2,800 2,802 2,810 32,811 2,815 2,816 3,817 2,820 1,829 9.3,831 2,832 3,836 17.667,837 9.133,838 7.028,839 2.863,840 3.5,841 1.46,842 0.939,843 7.457,844 11.116,845 3.839,846 4.431,847 4.94,848 5.488,849 6.07,850 6.316,851 6.613,852 6.921,853 7.342,854 7.383,855 0.9,856 48,857 11.846,859 5.145,860 8.266,861 21.381,863 17.109,865 2.766,866 88.5,870 164.795,871 98.105,872 135.387,874 160.801,877 98.105,878 325.597,879 135.387,881 25.186,882 132.128,883 218.908,884 13.845,885 4.227,886 164.795,888 164.795,889 233.492,890 160.801,893 141.253,894 184.344,897 29.229,898 152.681,899 51.582,901 164.795,902 296.188,903 98.105,906 164.795,907 31.771,908 66.334,909 36.022,910 260.167,911 164.795,912 296.188,913 98.105,915 0.585,916 0.321,917 0.161,918 0.094,919 20,920 11,921 0.161,922 9,923 1,924 1.125,925 4.329,926 270.11,927 0.125,928 16,929 156,933 23.252,934 10.263,935 6.297,936 1.311,937 296.188,938 12.022,939 8.08,943 2.334,945 187.183,946 559.089,947 45.5,951 34.189,954 -3.01,956 55.316,957 61.358,958 0.3,959 0.706,960 0.853,961 0.936,962 0.942,963 0.942,964 5.07,965 1.953,966 5.911,967 5.739,968 4.554,969 5.118,970 3.081,971 6.681,972 4.504,973 6.287,974 1.457,975 7.454,976 5.12,977 4.205,978 5.017,979 2.882,980 7.509,981 4.134,982 7.593,983 1.133,984 9.091,985 3.76,986 6.12,987 7.31,988 4.381,989 10.542,990 6.025,991 8.929,992 1.008,993 10.78,994 2.628,995 6.509,996 7.971,997 4.828,998 12.152,999 6.397,1000 10.292,1001 1,1002 12.502,1003 2.565,1004 7.94,1005 9.805,1006 5.947,1007 14.72,1008 7.805,1009 11.674,1010 0.722,1011 14.247,1012 2.275,1013 8.675,1014 10.851,1015 6.631,1016 16.687,1017 8.523,1018 13.071,1019 0.342,1020 16.01,1021 1.736,1022 9.906,1023 12.494,1024 7.604,1025 19.083,1026 9.731,1027 3.079,1028 0.038,1029 17.787,1030 0.774,1031 10.818,1032 13.754,1033 8.385,1034 21.223,1035 10.623,1036 2.892,1037 10.175,1038 19.576,1039 0.094,1040 11.964,1041 15.31,1042 9.295,1043 23.555,1044 11.746,1045 2.657,1046 8.889,1047 21.374,1048 4.491,1049 12.967,1050 16.685,1051 10.118,1052 25.778,1053 12.725,1054 2.461,1055 7.911,1056 23.18,1057 3.772,1058 14.079,1059 18.204,1060 11,1061 28.088,1062 13.813,1063 2.289,1064 7.073,1065 24.993,1066 3.244,1067 15.129,1068 19.639,1069 11.843,1070 30.353,1071 14.838,1072 2.17,1073 6.619,1074 26.812,1075 3.127,1076 16.23,1077 21.142,1078 12.712,1079 32.658,1080 15.912,1081 2.035,1082 5.801,1083 28.636,1084 2.952,1085 17.305,1086 22.609,1087 13.563,1088 34.944,1089 16.96,1090 15157,1091 28731,1092 21.789,1093 35.398,1094 51.083,1095 52.805,1096 52.176,1097 50.526,1098 50.473,1099 66.549,1100 13.149,1101 142.316,1102 49.178,1103 5.452,1104 5.777,1105 5.916,1106 5.118,1107 5.079,1108 7.491,1109 3.989,1110 17.069,1111 4.983,1112 20.732,1113 1.502,1114 1.553,1115 1.535,1116 1.486,1117 1.485,1118 1.957,1119 0.387,1120 4.186,1121 1.446,1122 4.074,1123 4.11,1124 4.041,1125 3.979,1126 7.477,1127 3.989,1128 3.945,1129 3.972,1130 3.892,1131 3.871,1132 7.471,1133 3.871,1134 3.762,1135 3.798,1136 3.673,1137 3.59,1138 7.428,1139 3.601,1140 3.531,1141 3.596,1142 3.466,1143 3.319,1144 6.352,1145 3.349,1146 3.454,1147 3.473,1148 3.394,1149 3.2,1150 6.35,1151 3.238,1152 3.294,1153 3.325,1154 3.232,1155 3.074,1156 5.308,1157 3.106,1158 3.132,1159 3.236,1160 3.026,1161 2.907,1162 4.982,1163 2.925,1164 3.06,1165 3.11,1166 2.946,1167 2.748,1168 4.749,1169 2.791,1170 0.134,1171 0.111,1172 0.191,1173 0.119,1174 0.091,1175 4.541,1176 0.132,1177 3.777,1178 0.07,1179 6.502,1180 0.299,1181 4.046,1182 0.088,1183 3.079,1184 4.491,1185 2.375,1186 10.175,1187 2.983,1188 2.013,1189 1.984,1190 2.083,1191 2.13,1192 1.226,1193 2.116,1194 1.923,1195 1.9,1196 2.021,1197 2.022,1198 1.202,1199 2.022,1200 1.704,1201 1.663,1202 1.899,1203 1.902,1204 1.134,1205 1.899,1206 1.442,1207 1.383,1208 1.591,1209 1.692,1210 0.716,1211 1.667,1212 1.322,1213 1.291,1214 1.484,1215 1.613,1216 0.568,1217 1.568,1218 1.2,1219 1.165,1220 1.411,1221 1.456,1222 0.4,1223 1.44,1224 1.052,1225 0.979,1226 1.294,1227 1.386,1228 0.218,1229 1.371,1230 0.917,1231 0.86,1232 1.181,1233 1.273,1234 0.212,1235 1.216,1236 4.234,1238 5.549,1240 7.041,1242 8.619,1244 10.246,1250 11.503,1251 17.869,1252 -0.104,1253 5.583,1256 -1.278,1262 34.917,1263 93.298,1264 219.545,1265 265.112,1266 290.764,1267 292.764,1268 292.764,1269 88.95,1270 7.616,1271 193.55,1272 193.55,1273 18,1274 12.474,1275 4.392,1276 3.644,1277 61.724,1278 170,1279 142,1280 0.177,1281 218.575,1282 382.99,1283 525.083,1284 23186,1286 23.25,1287 0.727,1288 0.528,1289 23.25,1290 16.908,1291 15.223,1292 0.448,1293 0.283,1294 9.477,1295 14.536,1296 9.336,1297 7.713,1298 15.223,1299 9.637,1300 14.203,1301 0.302,1302 0.15,1303 14.203,1304 7.046,1305 10.778,1306 0.189,1307 0.083,1308 10.778,1309 4.706,1310 8.491,1311 0.121,1312 0.043,1313 8.491,1314 3.026,1315 6.953,1316 0.078,1317 0.023,1318 6.953,1319 2.032,1320 0.289,1321 96.482,1322 0.214,1323 30.709,1324 0.452,1325 162,1326 568.086,1327 183.228,1328 546.684,1329 715.91,1330 502,1331 185,1332 504.956,1333 202.743,1334 508.365,1335 733.45,1336 477,1337 8.143}
{0 CHEMBL423200,1 1.48,2 9.538,3 2.989,4 8.935,5 98.837,6 8.327,7 0.867,8 3.867,9 3.994,10 3.54,11 3.442,12 5.069,13 3.452,14 4.338,15 4.491,16 3.939,17 3.842,18 5.532,19 3.836,20 4.552,21 4.74,22 4.003,23 3.96,24 5.679,25 3.936,26 4.592,27 4.79,28 3.915,29 3.964,30 5.701,31 3.906,32 4.579,33 4.791,34 3.772,35 3.912,36 5.632,37 3.831,38 4.571,39 4.821,40 3.638,41 3.808,42 5.569,43 3.709,44 4.374,45 4.632,46 3.53,47 3.613,48 5.346,49 3.54,50 4.135,51 4.346,52 3.498,53 3.463,54 5.284,55 3.434,56 0.056,57 0.705,58 6.693,59 2.916,60 10.783,61 3.493,62 0.183,63 1.119,64 11.777,65 5.095,66 19.747,67 6.414,68 0.278,69 1.335,70 16.37,71 6.227,72 25.769,73 7.972,74 0.291,75 1.343,76 17.541,77 7.05,78 30.104,79 9.199,80 0.201,81 1.275,82 18.04,83 7.141,84 29.275,85 9.415,86 0.293,87 1.213,88 20.454,89 7.398,90 34.667,91 10.173,92 0.188,93 0.987,94 17.559,95 6.118,96 24.285,97 8.605,98 0.152,99 0.848,100 11.651,101 4.061,102 19.26,103 5.349,104 5,105 44,106 0.253,107 0.596,108 0.706,109 0.79,110 0.806,111 0.806,112 3.305,113 0.821,114 -4.12,115 -4.06,116 -3.84,119 46.3,125 1,139 8,140 2,142 1,143 2,144 1,146 1,147 1,149 2,157 2,158 2,159 2,166 9,169 2,170 4,172 3,173 3,178 10,181 4,182 4,184 1,185 1,189 9,192 2,193 2,195 3,196 3,197 1,200 2,201 7,205 1,207 4,209 1,210 1,215 7,220 2,221 8,223 1,224 1,229 3,234 6,246 10,248 1,249 1,251 4,256 4,260 8,265 4,270 4,273 890,274 17.947,275 17.947,276 17.947,277 17.947,278 17.947,279 14.908,280 14.706,281 10.464,282 18.324,283 14.858,284 14.858,285 14.858,286 14.858,287 14.858,288 10.301,289 21.058,290 4.994,291 15.522,292 3.877,293 1.867,294 1.22,295 0.732,296 0.634,297 0.634,298 4.022,300 1,301 1,302 1,303 563,304 2.449,306 40.198,307 209.657,310 150.217,311 93.929,314 1.379,315 19.002,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 55.5,327 248,328 4.818,329 3.393,330 7.048,331 4.316,332 3.348,333 4.921,334 0.522,335 12.154,336 3.246,337 4.54,338 3.12,339 6.502,340 4.018,341 3.075,342 4.49,344 10.176,345 2.897,346 3.808,347 2.656,348 5.754,349 3.401,350 2.449,351 3.418,353 7.69,354 2.329,355 3.778,356 2.278,357 5.71,358 3.269,359 2.278,360 3.276,362 7.367,363 2.256,364 3.553,365 2.228,366 5.248,367 3.063,368 2.132,369 3,371 6.503,372 1.984,373 3.426,374 2.096,375 5.062,376 2.937,377 2.01,378 2.811,380 5.798,381 1.86,382 3.322,383 1.969,384 4.963,385 2.832,386 1.892,387 2.652,389 5.7,390 1.77,391 2.993,392 1.497,393 3.85,394 2.493,395 1.495,396 2.238,398 3.208,399 1.493,400 2.817,401 1.317,402 3.838,403 2.31,404 1.317,405 1.976,407 3.032,408 1.306,409 2.5,410 1.059,411 3.709,412 2,413 1.008,414 1.5,415 2.565,416 1,417 2.454,418 1,419 3.541,420 1.92,421 1,422 1.434,423 2.449,424 0.918,425 2.218,426 0.934,427 3.532,428 1.793,429 0.827,430 1.116,431 2.156,432 0.797,433 1.534,434 0.318,435 2.935,436 1.1,437 0.169,438 0.223,439 0.43,440 0.156,441 1.097,442 -0.163,443 2.678,444 0.669,445 -0.277,446 -0.367,448 -0.736,449 -0.261,450 0.963,451 -0.302,452 2.522,453 0.463,454 -0.452,455 -0.583,457 -1.164,458 -0.412,459 12.3,460 0.473,461 0.64,462 0.025,463 41.25,464 1.587,465 23,466 0.885,467 18.25,468 0.702,469 16.137,470 0.621,471 25.5,472 0.622,473 29.021,474 1.116,475 8.107,476 0.312,477 4.597,478 0.177,479 0.065,481 0.398,485 1.09,486 1.203,487 0.711,488 0.853,489 1.233,490 0.747,491 0.694,492 1.017,493 0.712,494 0.918,495 0.505,496 0.838,497 0.964,498 0.948,499 0.906,500 0.906,501 0.791,502 0.899,503 0.788,504 0.914,505 1.044,506 1.079,507 0.601,508 1.099,509 0.977,510 1.084,511 1.16,512 1.195,513 0.987,514 1.205,515 0.885,516 0.846,517 1.067,518 1.008,519 1.004,520 1.055,521 0.902,522 0.936,523 0.801,524 0.841,525 0.741,526 0.812,527 1.167,528 1.135,529 0.929,530 0.952,531 1.16,532 0.911,533 4.5,534 0.143,535 2.889,536 2.674,537 1.497,538 0.695,539 0.358,540 0.375,541 0.34,542 0.147,543 8116,544 21448,545 2.216,546 36.6,548 10,550 1,551 4,555 1.693,556 2.108,557 3.215,558 1.735,559 1,560 1,564 60.694,565 1.48,566 3.491,567 4.138,568 4.626,569 4.723,570 4.723,571 2.642,572 4.162,573 4.676,574 3.36,575 1092.09,576 8.111,577 13099.9,578 1,579 1,581 1,582 219.66,583 1.296,584 4.648,585 0.15,586 0.01,587 0.066,588 0.058,589 0.037,590 0.02,591 0.012,592 0.013,593 0.013,594 0.007,595 0.385,596 0.33,597 0.88,598 0.465,599 124.94,600 -0.186,601 -0.093,602 0.028,603 0.049,604 -0.304,605 0.069,606 0.241,607 0.061,608 0.091,609 0.002,610 0.214,611 0.018,612 0.064,613 0.104,614 -0.022,615 0.02,616 0.015,617 -0.008,618 0.14,619 0.09,620 -0.134,621 -0.116,622 0.207,623 -0.159,624 -0.116,625 -0.123,626 -0.219,627 -0.205,628 -0.111,629 -0.224,630 0.035,631 0.071,632 -0.024,633 0.01,634 -0.107,635 -0.011,636 0.008,637 -0.041,638 0.275,639 0.195,640 0.082,641 0.262,642 -0.096,643 -0.12,644 0.024,645 -0.013,646 -0.055,647 0.017,648 1.57,649 1.94,650 0.885,651 19.189,652 1.006,653 1.126,654 2.887,655 8.338,656 0.709,657 3.434,658 3.807,659 4.159,660 4.522,661 4.812,662 4.905,663 5.081,664 5.247,665 5.352,666 5.451,667 5.691,668 0.689,669 341.41,670 3.434,671 5.004,672 5.894,673 6.81,674 7.719,675 8.641,676 9.556,677 10.48,678 11.399,679 12.323,680 17.1,684 2,688 1,690 4,694 6,695 9,696 4,700 3,701 1,702 26,711 2,718 41,719 26,720 2,721 30,723 45,724 19,725 18,726 4,727 8,729 5,730 9,741 18,742 1,753 1,754 1,757 15,758 6,759 4,760 7,764 7,769 0.4,774 1,776 1,777 1,780 1,781 4,784 2,785 1,802 2,810 26,811 2,816 1,836 12.333,837 7.417,838 5.528,839 2.304,840 5.449,841 1.669,842 1.104,843 3.27,844 13.598,845 3.784,846 4.53,847 5.267,848 6.001,849 6.658,850 7.066,851 7.576,852 8.076,853 8.451,854 8.827,855 1,856 46,857 9.527,859 4.172,860 7.673,861 18.168,863 15.357,865 2.173,866 56.5,869 1,870 129.482,871 107.241,872 134.836,877 107.241,878 129.482,879 134.836,881 2.106,882 141.604,883 78.913,884 22.709,885 8.515,886 117.711,888 129.482,889 242.076,893 131.197,897 19.852,898 153.366,899 67.142,901 129.482,902 134.836,903 107.241,906 129.482,907 22.383,908 86.756,910 132.936,911 129.482,912 134.836,913 107.241,915 0.589,916 0.357,917 0.214,918 0.123,919 25,920 10,921 0.044,922 2,923 3,924 1.261,925 3.787,926 240.783,927 0.261,928 23,929 110.211,933 15.055,934 5.648,935 2.386,936 5.604,937 132.936,938 18.386,939 17.028,943 1.118,944 2.231,945 65.794,946 371.558,947 43,956 41.247,957 46.149,958 0.276,959 0.652,960 0.772,961 0.863,962 0.882,963 0.882,964 5.021,965 1.495,966 5.894,967 5.7,968 4.489,969 5.218,970 0.434,971 6.77,972 4.402,973 6.28,974 1.317,975 7.485,976 3.208,977 4.111,978 5.173,980 7.766,981 3.972,982 7.625,983 1.008,984 9.178,985 3.032,986 6.133,987 7.624,988 0.138,989 10.938,990 5.962,991 9.013,992 1,993 10.932,994 2.565,995 6.594,996 8.443,998 12.806,999 6.375,1000 10.434,1001 0.827,1002 12.727,1003 2.449,1004 8.094,1005 10.356,1006 0.039,1007 15.502,1008 7.846,1009 11.883,1010 0.169,1011 14.55,1012 2.156,1013 8.956,1014 11.592,1016 17.738,1017 8.666,1018 13.353,1019 -0.277,1020 16.395,1021 0.43,1022 10.252,1023 13.291,1024 0.011,1025 20.281,1026 9.932,1027 3.348,1028 -0.452,1029 18.256,1030 -0.736,1031 11.3,1032 14.721,1034 22.667,1035 10.943,1036 3.075,1037 12.154,1038 20.131,1039 -1.164,1040 12.521,1041 16.337,1042 0.003,1043 25.164,1044 12.133,1045 2.449,1046 10.176,1047 22.016,1048 4.921,1049 13.65,1050 17.85,1052 27.609,1053 13.228,1054 2.278,1055 7.69,1056 23.911,1057 4.49,1058 14.846,1059 19.438,1060 0.001,1061 30.096,1062 14.394,1063 2.132,1064 7.367,1065 25.814,1066 3.418,1067 16.01,1068 20.987,1070 32.566,1071 15.526,1072 2.01,1073 6.503,1074 27.723,1075 3.276,1076 17.2,1077 22.566,1079 35.052,1080 16.687,1081 1.892,1082 5.798,1083 29.637,1084 3,1085 18.38,1086 24.132,1088 37.533,1089 17.836,1090 7431,1091 12231,1092 20.69,1093 29.086,1094 46.255,1095 46.099,1096 47.115,1097 46.031,1098 46.002,1099 66.109,1100 1.043,1101 138.457,1102 44.026,1103 5.596,1104 5.393,1105 6.731,1106 5.398,1107 5.348,1108 7.921,1109 1.043,1110 19.395,1111 5.246,1112 9.262,1113 1.542,1114 1.537,1115 1.57,1116 1.534,1117 1.533,1118 2.204,1119 0.035,1120 4.615,1121 1.468,1122 4.233,1123 4.263,1124 4.204,1125 4.157,1126 5.343,1127 4.165,1128 4.007,1129 4.057,1130 3.994,1131 3.837,1132 5.011,1133 3.872,1134 3.678,1135 3.713,1136 3.595,1137 3.62,1138 4.985,1139 3.61,1140 3.517,1141 3.584,1142 3.45,1143 3.337,1144 4.853,1145 3.356,1146 3.224,1147 3.301,1148 3.14,1149 3.035,1150 4.548,1151 3.051,1152 3.1,1153 3.22,1154 2.992,1155 2.907,1156 4.237,1157 2.9,1158 3,1159 3.05,1160 2.894,1161 2.78,1162 4.06,1163 2.822,1164 2.844,1165 2.926,1166 2.724,1167 2.653,1168 3.992,1169 2.657,1170 0.161,1171 0.113,1172 0.235,1173 0.144,1174 0.112,1175 4.818,1176 0.164,1177 3.393,1178 0.017,1179 7.048,1180 0.405,1181 4.316,1182 0.108,1183 3.348,1184 4.921,1185 0.522,1186 12.154,1187 3.246,1188 1.987,1189 1.97,1190 2.073,1191 2.125,1192 1.217,1193 2.091,1194 1.945,1195 1.902,1196 2.018,1197 2.037,1198 1.173,1199 2.05,1200 1.85,1201 1.812,1202 1.916,1203 1.996,1204 0.941,1205 1.98,1206 1.447,1207 1.389,1208 1.609,1209 1.654,1210 0.713,1211 1.646,1212 1.151,1213 1.083,1214 1.327,1215 1.407,1216 0.336,1217 1.395,1218 1.03,1219 0.989,1220 1.262,1221 1.372,1222 0.317,1223 1.352,1224 0.981,1225 0.874,1226 1.231,1227 1.146,1228 0.126,1229 1.178,1230 0.817,1231 0.738,1232 1.114,1233 1.054,1234 0.116,1235 1.076,1236 4.111,1238 5.468,1239 2.398,1240 7.034,1241 4.949,1242 8.698,1243 7.235,1244 10.411,1250 11.563,1252 0.57,1262 28.257,1263 60.694,1264 143.13,1265 169.66,1266 189.66,1267 193.66,1268 193.66,1269 28.444,1270 8.149,1271 108.53,1272 108.53,1273 29,1274 12.829,1275 4.755,1276 3.807,1277 33.842,1278 90,1279 90,1280 0.188,1281 171.417,1282 268.92,1283 410.017,1284 41073,1286 17.673,1287 0.68,1288 0.531,1289 17.673,1290 13.794,1291 12.704,1292 0.423,1293 0.274,1294 8.105,1295 12.289,1296 7.961,1297 6.57,1298 12.704,1299 8.211,1300 11.781,1301 0.268,1302 0.139,1303 11.781,1304 6.121,1305 10.372,1306 0.165,1307 0.071,1308 10.372,1309 4.501,1310 9.54,1311 0.105,1312 0.037,1313 9.54,1314 3.395,1315 8.234,1316 0.067,1317 0.02,1318 8.234,1319 2.439,1320 0.288,1321 79.015,1322 0.22,1323 24.605,1324 0.534,1325 148,1326 392.85,1327 160.961,1328 395.269,1329 566.23,1330 372,1331 181,1332 447.127,1333 194.822,1334 455.537,1335 675.86,1336 431,1337 7.26}
{0 CHEMBL423381,1 1.607,2 9.593,3 2.776,4 7.707,5 100.091,6 8.51,7 0.742,8 3.901,9 4.02,10 3.588,11 3.44,12 5.124,13 3.465,14 4.368,15 4.512,16 3.984,17 3.816,18 5.594,19 3.833,20 4.598,21 4.773,22 4.073,23 3.935,24 5.767,25 3.941,26 4.615,27 4.8,28 3.972,29 3.941,30 5.757,31 3.913,32 4.626,33 4.821,34 3.869,35 3.96,36 5.7,37 3.901,38 4.623,39 4.852,40 3.785,41 3.894,42 5.674,43 3.815,44 4.502,45 4.743,46 3.679,47 3.741,48 5.516,49 3.674,50 4.271,51 4.486,52 3.585,53 3.549,54 5.393,55 3.518,56 0.09,57 0.716,58 6.603,59 3.012,60 11.736,61 3.401,62 0.226,63 1.117,64 11.726,65 5.177,66 20.883,67 6.142,68 0.422,69 1.335,70 17.013,71 6.27,72 30.955,73 7.457,74 0.425,75 1.322,76 17.94,77 6.96,78 36.737,79 8.361,80 0.343,81 1.312,82 18.458,83 7.316,84 34.453,85 9.03,86 0.383,87 1.28,88 20.174,89 7.592,90 36.301,91 10.184,92 0.319,93 1.1,94 19.267,95 6.871,96 29.925,97 9.428,98 0.218,99 0.927,100 13.652,101 4.884,102 23.077,103 6.432,104 5,105 45,106 0.275,107 0.611,108 0.719,109 0.8,110 0.817,111 0.817,112 3.341,113 0.81,114 -3.37,115 -3.35,116 -3.21,119 45.2,125 1,139 8,141 4,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 6,169 2,170 4,172 3,173 3,178 4,181 5,182 8,184 1,185 1,189 2,192 2,193 4,195 3,196 3,197 1,200 2,201 2,205 1,207 2,209 1,210 1,215 6,220 3,221 6,223 1,224 1,229 6,233 1,234 6,241 2,246 6,248 1,249 1,251 2,256 2,259 2,260 8,262 1,263 1,265 4,270 4,273 1037,274 18.602,275 18.602,276 18.602,277 18.602,278 18.602,279 15.811,280 22.646,281 10.883,282 19.087,283 15.358,284 15.358,285 15.358,286 15.358,287 15.358,288 11.214,289 32.869,290 5.211,291 16.226,292 3.785,293 1.822,294 1.19,295 0.714,296 0.619,297 0.619,298 4.058,300 1,301 1,302 1,303 585,304 2.449,307 266.078,311 269.593,314 1.372,315 22.496,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 58.5,327 259,328 4.55,329 3.532,330 6.837,331 4.178,332 3.238,333 4.491,334 0.916,335 11.387,336 3.039,337 4.493,338 3.125,339 6.501,340 4.014,341 3.072,342 4.075,343 0.86,344 10.173,345 2.892,346 3.962,347 2.752,348 5.982,349 3.509,350 2.532,351 3.58,352 0.172,353 8.37,354 2.47,355 3.777,356 2.651,357 5.492,358 3.373,359 2.432,360 3.236,362 7.263,363 2.29,364 3.438,365 2.394,366 5.189,367 3.033,368 2.123,369 2.811,371 6.319,372 1.93,373 3.412,374 2.157,375 5.062,376 2.931,377 2.01,378 2.725,380 5.798,381 1.848,382 3.227,383 2.024,384 4.957,385 2.825,386 1.896,387 2.424,389 5.684,390 1.756,391 2.967,392 1.589,393 4.116,394 2.498,395 1.517,396 2.166,398 3.329,399 1.482,400 2.819,401 1.4,402 3.847,403 2.339,404 1.347,405 1.966,407 3.265,408 1.334,409 2.702,410 1.326,411 3.709,412 2.232,413 1.247,414 1.792,415 2.902,416 1.225,417 2.454,418 1.059,419 3.594,420 1.92,421 1.008,422 1.434,423 2.565,424 0.918,425 2.187,426 0.937,427 3.532,428 1.798,429 0.832,430 1.095,431 2.158,432 0.801,433 1.544,434 0.499,435 2.968,436 1.169,437 0.245,438 0.304,439 0.625,440 0.225,441 1.261,442 0.158,443 2.806,444 0.864,445 -0.048,446 -0.061,448 -0.128,449 -0.044,450 0.976,451 -0.169,452 2.649,453 0.506,454 -0.431,455 -0.559,457 -1.091,458 -0.393,459 12.633,460 0.468,461 0.657,462 0.024,463 43.25,464 1.602,465 24,466 0.889,467 19.25,468 0.713,469 16.822,470 0.623,471 26.967,472 0.642,473 31.066,474 1.151,475 8.509,476 0.315,477 4.677,478 0.173,479 0.063,481 0.388,485 1.049,486 1.257,487 0.693,488 0.919,489 1.211,490 0.764,491 0.848,492 1.098,493 0.703,494 1.009,495 0.563,496 0.867,497 1.171,498 0.975,499 0.915,500 0.922,501 0.883,502 0.884,503 1.141,504 0.881,505 1.059,506 0.996,507 0.775,508 1.024,509 1.107,510 1.02,511 1.17,512 1.09,513 1.05,514 1.14,515 0.693,516 0.87,517 1.045,518 1.04,519 0.9,520 1.09,521 0.782,522 0.961,523 0.864,524 0.933,525 0.731,526 0.916,527 0.928,528 1.129,529 0.907,530 1.022,531 1.036,532 0.963,533 5,534 0.148,535 2.889,536 2,537 2.138,538 0.646,539 0.422,540 0.391,541 0.337,542 0.178,543 8845,544 24772,545 2.208,546 35.7,548 10,550 1,551 4,555 1.705,556 2.104,557 3.213,558 1.734,559 1,560 1,564 67.512,565 1.607,566 3.57,567 4.202,568 4.678,569 4.773,570 4.773,571 2.628,572 4.134,573 4.731,574 3.37,575 1182.81,576 8.23,577 14599.8,578 1,579 1,581 1,582 226.477,583 1.28,584 4.703,585 0.161,586 0.01,587 0.064,588 0.042,589 0.05,590 0.017,591 0.012,592 0.012,593 0.012,594 0.007,595 0.386,596 0.33,597 0.88,598 0.454,599 131.262,600 -0.174,601 -0.139,602 0.031,603 0.002,604 -0.306,605 0.051,606 0.125,607 -0.017,608 0.1,609 -0.079,610 0.194,611 -0.014,612 0.008,613 0.073,614 -0.015,615 0.001,616 -0.005,617 -0.01,618 -0.042,619 0.124,620 -0.136,621 -0.035,622 0.112,623 -0.099,624 -0.199,625 -0.048,626 -0.244,627 -0.096,628 -0.17,629 -0.167,630 0.083,631 0.076,632 -0.049,633 -0.031,634 -0.061,635 -0.057,636 0.058,637 -0.059,638 0.188,639 0.101,640 0.067,641 0.158,642 -0.044,643 -0.149,644 0.07,645 -0.05,646 -0.033,647 0.019,648 1.585,649 2.516,650 0.889,651 19.83,652 1.014,653 1.128,654 2.139,655 4.576,656 0.703,657 3.466,658 3.829,659 4.159,660 4.5,661 4.812,662 4.905,663 5.069,664 5.247,665 5.425,666 5.434,667 5.761,668 0.69,669 357.41,670 3.466,671 5.03,672 5.911,673 6.817,674 7.714,675 8.624,676 9.527,677 10.439,678 11.345,679 12.257,680 16.7,684 2,688 1,690 4,694 2,695 9,696 4,700 7,702 23,711 2,714 1,716 1,718 42,719 23,720 2,721 31,723 46,724 19,725 18,726 4,727 8,729 5,730 9,741 18,742 1,753 1,754 1,757 15,758 8,759 4,760 8,764 7,769 0.4,770 1,774 1,776 1,781 5,785 3,802 2,810 27,811 2,816 1,818 1,821 1,829 2.4,834 1,836 12.833,837 7.583,838 5.75,839 2.325,840 4.634,841 1.564,842 1.075,843 3.638,844 12.849,845 3.773,846 4.449,847 5.088,848 5.726,849 6.349,850 6.629,851 7.057,852 7.516,853 7.977,854 8.18,855 1,856 48,857 9.891,859 4.318,860 7.722,861 18.703,863 15.585,865 2.222,866 60,869 1,870 129.482,871 113.807,872 136.061,874 11,877 113.807,878 140.482,879 136.061,881 2.106,882 141.604,883 78.913,884 45.788,885 4.227,886 117.711,888 129.482,889 249.867,890 11,893 131.197,894 11,897 21.077,898 159.933,899 67.142,901 129.482,902 147.061,903 113.807,906 129.482,907 28.949,908 87.982,910 143.936,911 129.482,912 147.061,913 113.807,915 0.588,916 0.352,917 0.207,918 0.12,919 25,920 10,921 0.043,922 2,923 3,924 1.25,925 3.854,926 252.608,927 0.25,928 24,929 116.382,933 15.941,934 6.162,935 2.737,936 0.822,937 147.061,938 17.433,939 17,943 4.53,945 65.794,946 390.349,947 42.5,956 42.574,957 47.358,958 0.298,959 0.662,960 0.779,961 0.868,962 0.885,963 0.885,964 5.016,965 1.517,966 5.905,967 5.684,968 4.511,969 5.136,970 1.382,971 6.758,972 4.398,973 6.245,974 1.347,975 7.483,976 3.329,977 4.111,978 4.956,979 0.325,980 7.703,981 3.925,982 7.568,983 1.247,984 9.16,985 3.265,986 6.138,987 7.404,988 1.115,989 10.854,990 5.908,991 8.926,992 1.008,993 10.897,994 2.902,995 6.553,996 8.037,997 0.393,998 12.635,999 6.245,1000 10.314,1001 0.832,1002 12.674,1003 2.565,1004 8.054,1005 9.954,1006 0.921,1007 15.303,1008 7.705,1009 11.725,1010 0.245,1011 14.477,1012 2.158,1013 8.862,1014 10.997,1015 0.384,1016 17.44,1017 8.436,1018 13.154,1019 -0.048,1020 16.3,1021 0.625,1022 10.148,1023 12.676,1024 0.764,1025 19.94,1026 9.675,1027 3.238,1028 -0.431,1029 18.138,1030 -0.128,1031 11.145,1032 13.933,1033 0.351,1034 22.231,1035 10.597,1036 3.072,1037 11.387,1038 19.988,1039 -1.091,1040 12.345,1041 15.502,1042 0.634,1043 24.672,1044 11.745,1045 2.532,1046 10.173,1047 21.848,1048 4.491,1049 13.43,1050 16.87,1051 0.312,1052 27.031,1053 12.757,1054 2.432,1055 8.37,1056 23.715,1057 4.075,1058 14.599,1059 18.389,1060 0.525,1061 29.452,1062 13.869,1063 2.123,1064 7.263,1065 25.59,1066 3.58,1067 15.723,1068 19.814,1069 0.273,1070 31.842,1071 14.924,1072 2.01,1073 6.319,1074 27.469,1075 3.236,1076 16.882,1077 21.312,1078 0.433,1079 34.259,1080 16.022,1081 1.896,1082 5.798,1083 29.353,1084 2.811,1085 18.025,1086 22.768,1087 0.236,1088 36.663,1089 17.097,1090 8115,1091 13739,1092 21.383,1093 29.54,1094 47.417,1095 47.232,1096 48.09,1097 47.063,1098 47,1099 64.201,1100 3.898,1101 139.673,1102 44.418,1103 5.422,1104 5.532,1105 6.523,1106 5.291,1107 5.238,1108 7.491,1109 1.776,1110 18.919,1111 5.039,1112 9.507,1113 1.53,1114 1.524,1115 1.551,1116 1.518,1117 1.516,1118 2.071,1119 0.126,1120 4.506,1121 1.433,1122 4.071,1123 4.111,1124 4.043,1125 3.948,1126 5.342,1127 3.963,1128 3.975,1129 4.01,1130 3.95,1131 3.824,1132 4.991,1133 3.855,1134 3.758,1135 3.788,1136 3.686,1137 3.707,1138 4.966,1139 3.698,1140 3.508,1141 3.576,1142 3.442,1143 3.323,1144 4.856,1145 3.343,1146 3.161,1147 3.243,1148 3.068,1149 2.952,1150 4.615,1151 2.973,1152 3.1,1153 3.218,1154 2.992,1155 2.813,1156 4.232,1157 2.826,1158 2.993,1159 3.019,1160 2.905,1161 2.779,1162 4.188,1163 2.821,1164 2.826,1165 2.904,1166 2.706,1167 2.674,1168 4.05,1169 2.655,1170 0.147,1171 0.114,1172 0.221,1173 0.135,1174 0.104,1175 4.55,1176 0.145,1177 3.532,1178 0.03,1179 6.837,1180 0.367,1181 4.178,1182 0.098,1183 3.238,1184 4.491,1185 0.916,1186 11.387,1187 3.039,1188 1.983,1189 1.959,1190 2.065,1191 2.13,1192 1.195,1193 2.104,1194 1.897,1195 1.856,1196 1.94,1197 2.062,1198 0.978,1199 2.036,1200 1.772,1201 1.744,1202 1.902,1203 1.849,1204 0.977,1205 1.869,1206 1.441,1207 1.382,1208 1.599,1209 1.664,1210 0.715,1211 1.65,1212 1.091,1213 1.022,1214 1.294,1215 1.382,1216 0.267,1217 1.366,1218 0.981,1219 0.899,1220 1.257,1221 1.348,1222 0.199,1223 1.334,1224 0.933,1225 0.874,1226 1.159,1227 1.151,1228 0.165,1229 1.144,1230 0.817,1231 0.754,1232 1.109,1233 1.029,1234 0.101,1235 1.048,1236 4.143,1238 5.493,1240 7.057,1242 8.724,1244 10.444,1250 11.571,1252 0.49,1254 6.016,1257 2.137,1262 28.972,1263 67.512,1264 149.948,1265 176.477,1266 196.477,1267 200.477,1268 200.477,1269 31.308,1270 8.215,1271 121.67,1272 121.67,1273 30,1274 12.771,1275 4.585,1276 3.644,1277 35.616,1278 93,1279 98,1280 0.187,1281 175.413,1282 288.61,1283 419.767,1284 45576,1286 18.38,1287 0.681,1288 0.526,1289 18.38,1290 14.202,1291 13.187,1292 0.425,1293 0.27,1294 8.236,1295 12.656,1296 8.11,1297 6.691,1298 13.187,1299 8.369,1300 12.209,1301 0.271,1302 0.136,1303 12.209,1304 6.124,1305 10.614,1306 0.168,1307 0.069,1308 10.614,1309 4.353,1310 9.611,1311 0.108,1312 0.036,1313 9.611,1314 3.172,1315 8.371,1316 0.069,1317 0.019,1318 8.371,1319 2.267,1320 0.287,1321 82.73,1322 0.216,1323 25.37,1324 0.535,1325 152,1326 440.586,1327 169.168,1328 433.604,1329 616.63,1330 408,1331 184,1332 486.399,1333 202.583,1334 489.662,1335 725.49,1336 463,1337 4.886}
{0 CHEMBL423558,1 1.603,2 11,3 2.712,4 7.353,5 103.959,6 7.049,7 0.429,8 4.035,9 4.167,10 3.541,11 3.451,12 5.149,13 3.454,14 4.571,15 4.76,16 3.876,17 3.835,18 5.608,19 3.811,20 4.753,21 4.941,22 4.006,23 4.021,24 5.752,25 3.972,26 4.92,27 5.145,28 3.972,29 4.072,30 5.917,31 3.986,32 4.998,33 5.243,34 3.767,35 4.04,36 5.888,37 3.929,38 4.893,39 5.141,40 3.531,41 3.959,42 5.738,43 3.801,44 4.885,45 5.207,46 3.459,47 3.824,48 5.577,49 3.647,50 4.62,51 4.887,52 3.516,53 3.625,54 5.495,55 3.531,56 0.079,57 0.744,58 11.763,59 4.178,60 13.043,61 6.009,62 0.416,63 1.112,64 22.005,65 7.364,66 35.12,67 10.211,68 0.423,69 1.361,70 25.771,71 8.516,72 28.28,73 12.767,74 0.514,75 1.466,76 31.419,77 10.171,78 50.2,79 15.117,80 0.7,81 1.417,82 35.684,83 9.881,84 57.812,85 15.093,86 0.51,87 1.295,88 31.468,89 9.674,90 51.562,91 14.719,92 0.456,93 1.147,94 32.622,95 9.503,96 44.003,97 15.306,98 0.48,99 0.926,100 24.715,101 6.977,102 38.194,103 10.798,104 35,105 39,106 0.273,107 0.581,108 0.744,109 0.787,110 0.796,111 0.823,112 3.304,113 0.911,114 -3.54,115 -3.52,116 -3.35,119 35.3,121 3,122 1,124 3,125 1,139 2,140 2,141 3,144 2,147 1,157 2,158 2,159 2,166 7,169 1,170 4,172 3,173 4,175 3,178 7,180 1,181 2,182 6,187 3,189 5,191 1,192 1,193 7,195 1,196 2,197 3,198 3,200 4,201 4,204 2,205 1,207 5,212 3,215 3,218 2,221 5,226 4,229 2,231 2,234 5,239 2,243 2,246 7,249 2,251 3,256 3,260 1,263 1,265 1,270 1,273 920,274 17.643,275 17.643,276 17.643,277 17.643,278 17.643,279 16.09,280 27.995,281 10.181,282 18.387,283 13.619,284 13.619,285 13.619,286 13.619,287 13.619,288 11.046,289 37.822,290 4.557,291 14.54,292 4.069,293 2.254,294 1.295,295 1.045,296 0.991,297 0.829,298 3.985,300 1,301 1,302 1,303 602,304 3.082,307 229.767,311 120.969,314 1.538,315 24.934,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 57.5,327 286,328 4.422,329 3.377,330 6.523,331 4.041,332 3.081,333 4.104,334 0.86,335 10.257,336 2.961,337 4.414,338 3.248,339 6.502,340 4.006,341 3.058,342 4.091,343 0.86,344 10.174,345 2.896,346 3.624,347 2.63,348 5.381,349 3.426,350 2.452,351 2.896,352 0.86,353 7.048,354 2.387,355 3.52,356 2.555,357 5.218,358 3.185,359 2.22,360 2.824,361 0.4,362 6.571,363 2.14,364 3.355,365 2.427,366 5.19,367 2.972,368 2.061,369 2.604,371 6.118,372 1.889,373 3.325,374 2.207,375 5.062,376 2.965,377 2.031,378 2.563,380 5.801,381 1.867,382 3.193,383 2.077,384 4.965,385 2.877,386 1.947,387 2.273,389 5.738,390 1.802,391 2.228,392 1.951,393 3.811,394 2.017,395 1.173,396 1.216,398 2.565,399 0.985,400 2.093,401 1.36,402 3.71,403 1.944,404 1.008,405 1.068,407 2.532,408 0.94,409 1.803,410 1.068,411 3.227,412 1.676,413 0.717,414 0.763,415 1.598,416 0.684,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.404,426 0.791,427 2.744,428 1.161,429 0.315,430 0.336,431 0.416,432 0.265,433 1.226,434 0.312,435 2.58,436 0.95,437 0.021,438 0.024,439 0.049,440 0.019,441 0.889,442 0.041,443 2.492,444 0.534,445 -0.392,446 -0.46,448 -0.767,449 -0.357,450 0.792,451 -0.282,452 2.439,453 0.458,454 -0.461,455 -0.559,457 -1.154,458 -0.42,459 12,460 0.462,461 0.622,462 0.024,463 32.5,464 1.25,465 15,466 0.577,467 17.5,468 0.673,469 22.525,470 0.866,471 30,472 0.588,473 23.758,474 0.914,475 6.44,476 0.248,477 6.11,478 0.235,479 0.192,481 0.375,485 1.023,486 1.456,487 0.871,488 1.249,489 1.128,490 1.046,491 1.172,492 0.851,493 0.849,494 0.86,495 0.755,496 0.821,497 0.771,498 1.324,499 0.928,500 1.209,501 0.75,502 1.108,503 0.76,504 1.107,505 1.018,506 1.248,507 0.736,508 1.189,509 1.451,510 0.939,511 1.263,512 0.986,513 1.345,514 1.082,515 1.117,516 1.099,517 1.315,518 1.235,519 1.26,520 1.31,521 0.638,522 0.777,523 0.737,524 0.815,525 0.667,526 0.797,527 1.043,528 0.895,529 0.813,530 0.831,531 0.834,532 0.802,533 6,534 0.206,535 2.889,536 2.063,537 2.182,538 0.653,539 0.384,540 0.373,541 0.188,542 0.278,543 7796,544 21664,545 2.014,546 49,547 6,548 13,551 5,553 1,555 1.688,556 1.857,557 3.402,558 2.596,559 1,560 1,564 81.774,565 1.603,566 3.419,567 4.378,568 4.628,569 4.682,570 4.844,571 2.844,572 4.162,573 4.676,574 3.56,575 1157.13,576 8.087,577 14653.3,579 1,581 1,582 289.294,583 1.502,584 4.615,585 0.214,586 0.01,587 0.074,588 0.048,589 0.056,590 0.021,591 0.017,592 0.016,593 0.008,594 0.012,595 0.476,596 0.17,597 1,598 0.998,599 127.934,600 -0.11,601 -0.127,602 0.041,603 -0.067,604 -0.137,605 0.015,606 -0.032,607 0.267,608 0.125,609 0.218,610 0.156,611 0.192,612 0.111,613 -0.166,614 0.003,615 -0.103,616 0.05,617 -0.069,618 0.105,619 -0.03,620 -0.072,621 -0.205,622 0.131,623 -0.177,624 -0.293,625 0.023,626 -0.264,627 -0.014,628 -0.307,629 -0.118,630 -0.21,631 -0.119,632 -0.36,633 -0.217,634 -0.331,635 -0.307,636 0.056,637 0.036,638 0.229,639 0.136,640 0.055,641 0.209,642 0.033,643 -0.022,644 0.19,645 0.138,646 0.09,647 0.18,648 1.468,649 2.001,650 0.615,651 22.059,652 1.006,653 1.143,654 2.311,655 5.342,656 0.628,657 3.367,658 3.689,659 3.97,660 4.234,661 4.443,662 4.431,663 4.466,664 4.511,665 4.615,666 4.654,667 6.467,668 0.598,669 359.48,670 3.367,671 4.905,672 5.759,673 6.642,674 7.512,675 8.396,676 9.27,677 10.154,678 11.029,679 11.913,680 9.8,684 2,685 1,690 2,695 2,696 2,700 8,702 12,711 2,712 1,716 3,718 51,719 12,720 1,721 28,723 53,724 18,725 10,726 4,727 2,729 3,730 4,736 1,737 1,739 3,741 10,742 8,743 1,753 1,754 1,757 25,758 8,759 5,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 4,817 1,818 3,820 1,829 5.9,834 3,836 14,837 9.817,838 5.944,839 2.763,840 2.267,841 1.312,842 0.955,843 5.934,844 9.522,845 3.555,846 4.143,847 4.696,848 5.224,849 5.694,850 5.79,851 5.831,852 5.912,853 6.149,854 6.309,855 1,856 43,857 9.554,859 3.929,860 7.718,861 18.255,863 14.59,865 2.218,866 57.667,869 1,870 235.422,871 89.967,872 117.376,874 33,877 89.967,878 268.422,879 117.376,880 32.649,881 9.709,882 84.747,883 51.582,884 55.101,885 6.555,886 235.422,888 235.422,889 207.344,890 33,893 223.651,894 44.771,897 11.608,898 144.153,899 51.582,901 235.422,902 150.376,903 89.967,906 235.422,907 38.366,908 51.602,909 18.011,910 132.365,911 235.422,912 150.376,913 89.967,915 0.574,916 0.355,917 0.202,918 0.109,919 18,920 9,921 0.113,922 6,923 1,924 1.125,925 3.713,926 213.724,927 0.125,928 16,929 114.211,933 18.857,934 8.182,935 4.097,937 150.376,938 3.98,939 8.282,943 5.423,945 83.805,946 475.765,947 34,956 51.327,957 58.272,958 0.283,959 0.603,960 0.772,961 0.816,962 0.825,963 0.854,964 4.804,965 1.173,966 5.753,967 5.738,968 4.369,969 4.828,970 1.751,971 6.575,972 4.254,973 6.005,974 1.008,975 7.322,976 2.565,977 4.007,978 4.745,980 7.496,981 3.861,982 7.321,983 0.717,984 8.986,985 2.532,986 5.979,987 7.017,988 1.466,989 10.577,990 5.779,991 8.67,992 0.396,993 10.705,994 1.598,995 6.399,996 7.706,998 12.288,999 6.155,1000 10.05,1001 0.315,1002 12.458,1003 0.603,1004 7.854,1005 9.5,1006 1.234,1007 14.899,1008 7.573,1009 11.449,1010 0.021,1011 14.235,1012 0.416,1013 8.643,1014 10.549,1016 16.957,1017 8.311,1018 12.865,1019 -0.392,1020 16.03,1021 0.049,1022 9.893,1023 12.147,1024 1.028,1025 19.398,1026 9.527,1027 3.081,1028 -0.461,1029 17.839,1030 -0.767,1031 10.861,1032 13.375,1034 21.609,1035 10.441,1036 3.058,1037 10.257,1038 19.66,1039 -1.154,1040 12.03,1041 14.881,1042 0.845,1043 23.981,1044 11.573,1045 2.452,1046 10.174,1047 21.491,1048 4.104,1049 13.081,1050 16.199,1052 26.257,1053 12.572,1054 2.22,1055 7.048,1056 23.329,1057 4.091,1058 14.218,1059 17.66,1060 0.684,1061 28.602,1062 13.668,1063 2.061,1064 6.571,1065 25.174,1066 2.896,1067 15.307,1068 19.022,1070 30.905,1071 14.707,1072 2.031,1073 6.118,1074 27.024,1075 2.824,1076 16.432,1077 20.46,1078 0.546,1079 33.239,1080 15.79,1081 1.947,1082 5.801,1083 28.879,1084 2.604,1085 17.539,1086 21.845,1088 35.554,1089 16.847,1090 7690,1091 12920,1092 18.205,1093 32.006,1094 40.795,1095 42.3,1096 43.609,1097 40.836,1098 40.963,1099 50.426,1100 5.96,1101 118.942,1102 38.355,1103 5.367,1104 5.377,1105 6.066,1106 5.115,1107 5.081,1108 7.104,1109 1.72,1110 17.178,1111 4.961,1112 14.929,1113 1.457,1114 1.511,1115 1.557,1116 1.458,1117 1.463,1118 1.801,1119 0.213,1120 4.248,1121 1.37,1122 4.01,1123 4.053,1124 3.955,1125 3.9,1126 5.287,1127 3.907,1128 3.916,1129 3.939,1130 3.88,1131 3.79,1132 4.979,1133 3.807,1134 3.597,1135 3.66,1136 3.49,1137 3.426,1138 4.971,1139 3.436,1140 3.325,1141 3.392,1142 3.188,1143 3.1,1144 4.58,1145 3.113,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.531,1151 3.026,1152 3.211,1153 3.289,1154 2.997,1155 2.903,1156 4.464,1157 2.904,1158 3.128,1159 3.242,1160 2.984,1161 2.843,1162 4.236,1163 2.864,1164 3.08,1165 3.179,1166 2.875,1167 2.832,1168 4.05,1169 2.826,1170 0.158,1171 0.121,1172 0.233,1173 0.144,1174 0.11,1175 4.422,1176 0.147,1177 3.377,1178 0.031,1179 6.523,1180 0.366,1181 4.041,1182 0.106,1183 3.081,1184 4.104,1185 0.86,1186 10.257,1187 2.961,1188 1.945,1189 1.916,1190 2.081,1191 2.09,1192 1.429,1193 2.084,1194 1.862,1195 1.832,1196 1.953,1197 2.003,1198 1.149,1199 1.987,1200 1.549,1201 1.495,1202 1.709,1203 1.765,1204 0.854,1205 1.757,1206 1.271,1207 1.207,1208 1.59,1209 1.558,1210 0.645,1211 1.565,1212 1.227,1213 1.163,1214 1.574,1215 1.549,1216 0.584,1217 1.559,1218 1.167,1219 1.08,1220 1.556,1221 1.5,1222 0.57,1223 1.521,1224 1.072,1225 0.973,1226 1.423,1227 1.397,1228 0.545,1229 1.388,1230 1.042,1231 0.942,1232 1.334,1233 1.345,1234 0.42,1235 1.375,1236 4.043,1238 5.361,1240 6.889,1242 8.517,1244 10.197,1246 4.847,1250 11.656,1252 3.523,1253 3.313,1254 16.216,1256 0.427,1262 30.519,1263 81.774,1264 174.361,1265 223.255,1266 236.009,1267 238.764,1268 247.029,1269 43.176,1270 7.255,1271 117.54,1272 117.54,1273 18,1274 12.447,1275 3.7,1276 2.807,1277 44.513,1278 104,1279 90,1280 0.214,1281 189.648,1282 326.61,1283 454.502,1284 13420,1286 18.681,1287 0.719,1288 0.59,1289 18.681,1290 15.334,1291 12.55,1292 0.448,1293 0.304,1294 8.304,1295 11.83,1296 8.032,1297 6.723,1298 12.55,1299 8.499,1300 10.98,1301 0.282,1302 0.162,1303 10.98,1304 6.318,1305 9.353,1306 0.18,1307 0.09,1308 9.353,1309 4.673,1310 8.033,1311 0.118,1312 0.049,1313 8.033,1314 3.323,1315 6.45,1316 0.077,1317 0.029,1318 6.45,1319 2.442,1320 0.339,1321 80.491,1322 0.234,1323 25.137,1324 0.579,1325 134,1326 413.454,1327 150.795,1328 388.797,1329 532.02,1330 366,1331 158,1332 390.65,1333 175.183,1334 397.381,1335 577.5,1336 368,1337 5.447}
{0 CHEMBL423560,1 1.608,2 10.741,3 2.274,4 5.171,5 105.132,6 7.479,7 0.567,8 4.014,9 4.143,10 3.585,11 3.481,12 5.155,13 3.489,14 4.54,15 4.727,16 3.962,17 3.877,18 5.62,19 3.87,20 4.678,21 4.841,22 4.071,23 4.053,24 5.74,25 4.025,26 4.854,27 5.049,28 4.052,29 4.121,30 5.92,31 4.047,32 4.985,33 5.241,34 3.877,35 4.069,36 5.907,37 3.971,38 4.827,39 5.07,40 3.722,41 3.979,42 5.721,43 3.862,44 4.784,45 5.059,46 3.592,47 3.889,48 5.598,49 3.748,50 4.66,51 4.955,52 3.573,53 3.686,54 5.56,55 3.582,56 0.069,57 0.771,58 10.292,59 3.917,60 11.519,61 5.368,62 0.38,63 1.184,64 19.979,65 6.787,66 30.391,67 9.247,68 0.297,69 1.408,70 21.514,71 7.751,72 18.456,73 10.913,74 0.368,75 1.57,76 26.705,77 9.967,78 37.914,79 14.027,80 0.626,81 1.554,82 34.473,83 9.747,84 55.434,85 14.749,86 0.495,87 1.366,88 28.62,89 9.362,90 40.637,91 13.53,92 0.326,93 1.264,94 28.074,95 9.199,96 32.859,97 14.002,98 0.385,99 1.072,100 25.885,101 7.55,102 38.496,103 11.872,104 30,105 44,106 0.272,107 0.635,108 0.803,109 0.83,110 0.837,111 0.844,112 3.341,113 0.868,114 -3.62,115 -3.59,116 -3.42,119 38.8,120 1,121 1,124 2,125 2,139 2,140 4,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 5,169 2,170 10,172 3,173 3,175 1,178 5,180 1,181 1,182 8,187 1,189 2,191 1,192 3,193 9,195 3,196 3,197 1,198 3,200 2,201 3,204 3,205 1,206 1,207 1,212 1,215 4,218 1,220 2,221 4,223 1,224 1,226 2,229 7,231 2,234 3,241 2,245 1,246 9,248 1,249 1,251 3,256 3,259 1,260 4,265 1,270 1,273 1003,274 18.273,275 18.273,276 18.273,277 18.273,278 18.273,279 16.164,280 26.197,281 10.335,282 18.949,283 14.653,284 14.653,285 14.653,286 14.653,287 14.653,288 11.29,289 36.719,290 4.705,291 15.569,292 4.007,293 1.854,294 0.863,295 0.699,296 0.658,297 0.618,298 4.034,300 1,301 1,302 1,303 629,304 2.915,306 54.486,307 197.159,310 100.835,311 111.633,314 1.528,315 23.423,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 59,327 290,328 4.657,329 3.432,330 6.839,331 4.2,332 3.229,333 4.616,334 0.916,335 11.252,336 3.141,337 4.458,338 3.291,339 6.598,340 4.097,341 3.134,342 4.113,343 0.86,344 10.566,345 3.017,346 3.958,347 3.04,348 6.05,349 3.613,350 2.68,351 3.424,352 0.86,353 8.693,354 2.501,355 3.834,356 2.699,357 5.801,358 3.445,359 2.493,360 3.208,361 0.172,362 7.86,363 2.363,364 3.454,365 2.312,366 5.15,367 3.007,368 2.068,369 2.861,371 6.109,372 1.935,373 3.394,374 2.197,375 5.073,376 2.915,377 1.993,378 2.715,380 5.831,381 1.835,382 3.16,383 2.07,384 4.982,385 2.81,386 1.859,387 2.352,389 5.637,390 1.762,391 2.77,392 1.982,393 4.525,394 2.479,395 1.555,396 1.826,398 4.405,399 1.434,400 2.664,401 1.571,402 4.201,403 2.26,404 1.313,405 1.71,407 3.433,408 1.24,409 2.221,410 1.428,411 3.864,412 2.058,413 1.131,414 1.202,415 2.734,416 1.038,417 1.749,418 0.997,419 3.214,420 1.49,421 0.561,422 0.643,423 1.257,424 0.518,425 1.5,426 0.81,427 2.914,428 1.202,429 0.354,430 0.382,431 0.55,432 0.298,433 1.46,434 0.599,435 2.822,436 1.188,437 0.256,438 0.306,439 0.474,440 0.237,441 1.197,442 0.117,443 2.745,444 0.838,445 -0.109,446 -0.135,448 -0.285,449 -0.103,450 0.998,451 -0.023,452 2.666,453 0.598,454 -0.329,455 -0.404,457 -0.773,458 -0.302,459 12.567,460 0.465,461 0.746,462 0.028,463 37.25,464 1.38,465 18.5,466 0.685,467 18.75,468 0.694,469 21.947,470 0.813,471 29.433,472 0.601,473 27.6,474 1.022,475 7.402,476 0.274,477 5.609,478 0.208,479 0.183,481 0.43,485 1.008,486 1.424,487 0.799,488 1.139,489 1.139,490 0.954,491 1.137,492 0.799,493 0.742,494 0.705,495 0.663,496 0.673,497 0.927,498 1.312,499 0.945,500 1.142,501 0.795,502 1.056,503 0.7,504 1.252,505 1.055,506 1.376,507 0.638,508 1.303,509 1.258,510 0.909,511 1.147,512 0.926,513 1.265,514 0.998,515 1.061,516 0.898,517 1.171,518 1.048,519 1.029,520 1.125,521 0.705,522 1.015,523 0.965,524 1.078,525 0.734,526 1.067,527 0.714,528 0.856,529 0.709,530 0.808,531 0.814,532 0.761,533 6,534 0.189,535 3.556,536 2.667,537 2.248,538 0.976,539 0.667,540 0.391,541 0.348,542 0.223,543 8491,544 23077,545 2.075,546 44.9,547 3,548 12,550 1,551 4,553 2,555 1.701,556 1.906,557 3.372,558 1.734,559 1,560 1,564 78.793,565 1.608,566 3.76,567 4.752,568 4.915,569 4.956,570 4.997,571 2.834,572 4.533,573 4.728,574 3.502,575 1229.12,576 8.208,577 15308.1,579 1,581 1,582 275.121,583 1.506,584 4.668,585 0.2,586 0.011,587 0.081,588 0.056,589 0.051,590 0.027,591 0.022,592 0.014,593 0.013,594 0.01,595 0.484,596 0.17,597 1,598 0.905,599 132.57,600 -0.11,601 -0.181,602 0.05,603 -0.061,604 -0.18,605 0.018,606 -0.008,607 0.302,608 0.201,609 0.313,610 0.193,611 0.288,612 -0.022,613 -0.155,614 -0.062,615 -0.086,616 -0.021,617 -0.077,618 0.125,619 -0.169,620 -0.151,621 -0.335,622 0.173,623 -0.309,624 -0.193,625 0.045,626 -0.144,627 0.022,628 -0.251,629 -0.037,630 -0.126,631 0.07,632 -0.202,633 -0.049,634 -0.175,635 -0.131,636 -0.01,637 -0.106,638 0.006,639 -0.069,640 0.006,641 -0.033,642 0.132,643 0.009,644 0.314,645 0.152,646 0.144,647 0.252,648 1.533,649 2.066,650 0.704,651 22.335,652 1.007,653 1.137,654 2.386,655 5.694,656 0.654,657 3.434,658 3.807,659 4.143,660 4.454,661 4.682,662 4.812,663 4.927,664 5.056,665 5.142,666 5.226,667 6.141,668 0.628,669 366.47,670 3.434,671 5.004,672 5.889,673 6.799,674 7.698,675 8.612,676 9.516,677 10.43,678 11.336,679 12.25,680 12.2,684 2,686 1,690 3,694 2,695 3,696 3,700 8,702 17,711 2,714 1,716 2,718 49,719 17,720 1,721 30,723 52,724 19,725 13,726 4,727 2,729 4,730 6,734 1,736 1,739 1,741 13,742 6,753 1,754 1,757 22,758 8,759 4,760 8,764 6,769 0.5,770 2,775 1,776 1,780 1,781 3,784 1,785 1,802 2,806 3,810 27,811 2,816 3,818 2,821 1,829 4.1,834 2,836 14.167,837 9.8,838 5.944,839 2.692,840 3.471,841 1.442,842 1.006,843 4.598,844 11.317,845 3.676,846 4.357,847 5.011,848 5.635,849 6.208,850 6.532,851 6.852,852 7.209,853 7.572,854 7.776,855 1,856 48,857 9.915,859 4.192,860 7.691,861 18.946,863 15.523,865 2.191,866 59.167,870 211.88,871 96.653,872 119.275,874 22,877 96.653,878 233.88,879 119.275,880 30.591,881 6.746,882 84.747,883 62.128,884 61.26,885 4.227,886 200.109,888 211.88,889 215.928,890 22,893 190.053,894 45.542,897 26.518,898 137.339,899 50.357,901 211.88,902 141.275,903 96.653,906 211.88,907 38.062,908 61.716,910 138.151,911 211.88,912 141.275,913 96.653,915 0.59,916 0.368,917 0.209,918 0.11,919 23,920 11,921 0.077,922 4,923 2,924 1.211,925 3.756,926 242.906,927 0.211,928 19,929 128.382,933 17.922,934 6.926,935 3.079,936 1.28,937 141.275,938 5.916,939 12.693,943 6.459,945 65.794,946 449.808,947 38.5,956 49.334,957 55.73,958 0.286,959 0.67,960 0.846,961 0.875,962 0.883,963 0.89,964 4.943,965 1.555,966 5.905,967 5.637,968 4.489,969 5.043,970 1.698,971 6.781,972 4.382,973 6.185,974 1.313,975 7.508,976 4.405,977 4.205,978 5.047,979 0.325,980 7.789,981 4.068,982 7.528,983 1.131,984 9.207,985 3.433,986 6.151,987 7.353,988 1.422,989 10.914,990 5.965,991 8.908,992 0.561,993 10.96,994 2.734,995 6.661,996 8.147,997 0.393,998 12.719,999 6.451,1000 10.318,1001 0.354,1002 12.748,1003 1.257,1004 8.101,1005 9.97,1006 1.2,1007 15.373,1008 7.854,1009 11.749,1010 0.256,1011 14.56,1012 0.55,1013 8.969,1014 11.133,1015 0.384,1016 17.515,1017 8.698,1018 13.197,1019 -0.109,1020 16.39,1021 0.474,1022 10.223,1023 12.768,1024 1.01,1025 20.004,1026 9.92,1027 3.229,1028 -0.329,1029 18.233,1030 -0.285,1031 11.25,1032 14.111,1033 0.351,1034 22.291,1035 10.922,1036 3.134,1037 11.252,1038 20.087,1039 -0.773,1040 12.435,1041 15.669,1042 0.845,1043 24.721,1044 12.078,1045 2.68,1046 10.566,1047 21.95,1048 4.616,1049 13.534,1050 17.1,1051 0.312,1052 27.071,1053 13.15,1054 2.493,1055 8.693,1056 23.82,1057 4.113,1058 14.696,1059 18.629,1060 0.702,1061 29.48,1062 14.284,1063 2.068,1064 7.86,1065 25.696,1066 3.424,1067 15.825,1068 20.103,1069 0.273,1070 31.858,1071 15.387,1072 1.993,1073 6.109,1074 27.577,1075 3.208,1076 16.981,1077 21.621,1078 0.579,1079 34.261,1080 16.515,1081 1.859,1082 5.831,1083 29.463,1084 2.861,1085 18.125,1086 23.117,1087 0.236,1088 36.653,1089 17.631,1090 8154,1091 13564,1092 19.709,1093 32.034,1094 45.191,1095 46.375,1096 48.059,1097 45.177,1098 45.255,1099 58.715,1100 5.618,1101 137.602,1102 42.637,1103 5.56,1104 5.432,1105 6.381,1106 5.275,1107 5.229,1108 7.616,1109 1.776,1110 18.543,1111 5.141,1112 14.998,1113 1.506,1114 1.546,1115 1.602,1116 1.506,1117 1.508,1118 1.957,1119 0.187,1120 4.587,1121 1.421,1122 4.091,1123 4.129,1124 4.061,1125 3.982,1126 5.321,1127 3.996,1128 3.983,1129 4.012,1130 3.945,1131 3.884,1132 4.982,1133 3.896,1134 3.577,1135 3.63,1136 3.506,1137 3.387,1138 4.93,1139 3.409,1140 3.451,1141 3.508,1142 3.352,1143 3.254,1144 4.803,1145 3.269,1146 3.249,1147 3.316,1148 3.061,1149 2.973,1150 4.495,1151 2.977,1152 3.175,1153 3.271,1154 3.05,1155 2.942,1156 4.415,1157 2.949,1158 3.097,1159 3.189,1160 2.91,1161 2.856,1162 4.174,1163 2.845,1164 3.023,1165 3.153,1166 2.826,1167 2.793,1168 4.021,1169 2.8,1170 0.155,1171 0.114,1172 0.228,1173 0.14,1174 0.108,1175 4.657,1176 0.154,1177 3.432,1178 0.031,1179 6.839,1180 0.375,1181 4.2,1182 0.105,1183 3.229,1184 4.616,1185 0.916,1186 11.252,1187 3.141,1188 1.997,1189 1.966,1190 2.058,1191 2.132,1192 1.242,1193 2.11,1194 1.872,1195 1.858,1196 1.954,1197 1.978,1198 1.177,1199 1.967,1200 1.555,1201 1.489,1202 1.758,1203 1.777,1204 1.004,1205 1.776,1206 1.394,1207 1.331,1208 1.607,1209 1.623,1210 0.689,1211 1.629,1212 1.227,1213 1.159,1214 1.575,1215 1.521,1216 0.574,1217 1.537,1218 1.186,1219 1.106,1220 1.562,1221 1.516,1222 0.565,1223 1.531,1224 1.128,1225 1.04,1226 1.457,1227 1.403,1228 0.554,1229 1.414,1230 0.947,1231 0.85,1232 1.263,1233 1.338,1234 0.228,1235 1.341,1236 4.111,1238 5.468,1239 2.398,1240 7.029,1241 4.727,1242 8.688,1243 6.823,1244 10.399,1246 5.316,1250 11.743,1252 2.579,1254 10.873,1257 2.307,1262 30.772,1263 78.793,1264 184.253,1265 232.856,1266 240.856,1267 242.856,1268 244.856,1269 36.991,1270 7.846,1271 112.41,1272 112.41,1273 23,1274 12.764,1275 4.17,1276 3.248,1277 40.235,1278 101,1279 95,1280 0.201,1281 188.79,1282 317.58,1283 452.409,1284 27450,1286 19.129,1287 0.708,1288 0.578,1289 19.129,1290 15.613,1291 13.012,1292 0.434,1293 0.289,1294 8.507,1295 12.344,1296 8.211,1297 6.833,1298 13.012,1299 8.685,1300 11.893,1301 0.27,1302 0.15,1303 11.893,1304 6.582,1305 10.56,1306 0.17,1307 0.082,1308 10.56,1309 5.072,1310 9.346,1311 0.11,1312 0.043,1313 9.346,1314 3.643,1315 7.249,1316 0.068,1317 0.023,1318 7.249,1319 2.434,1320 0.311,1321 82.723,1322 0.225,1323 25.575,1324 0.56,1325 148,1326 432.676,1327 164.331,1328 416.151,1329 581.24,1330 392,1331 180,1332 440.697,1333 196.915,1334 449.579,1335 660.79,1336 419,1337 6.638}
{0 CHEMBL424113,1 1.476,2 9.538,3 3.046,4 9.278,5 99.909,6 7.987,7 0.793,8 3.886,9 4.02,10 3.516,11 3.435,12 5.092,13 3.436,14 4.335,15 4.5,16 3.865,17 3.787,18 5.531,19 3.771,20 4.561,21 4.769,22 3.915,23 3.892,24 5.669,25 3.856,26 4.578,27 4.794,28 3.85,29 3.902,30 5.677,31 3.839,32 4.635,33 4.854,34 3.836,35 3.97,36 5.685,37 3.891,38 4.688,39 4.928,40 3.777,41 3.964,42 5.711,43 3.865,44 4.6,45 4.858,46 3.672,47 3.841,48 5.562,49 3.743,50 4.372,51 4.604,52 3.558,53 3.643,54 5.462,55 3.57,56 0.047,57 0.721,58 7.675,59 3.105,60 11.05,61 4.018,62 0.175,63 1.103,64 13.107,65 5.233,66 20.834,67 6.971,68 0.291,69 1.311,70 18.459,71 6.249,72 28.2,73 8.587,74 0.293,75 1.295,76 19.146,77 7.045,78 32.86,79 9.719,80 0.199,81 1.333,82 20.514,83 7.726,84 31.842,85 10.711,86 0.29,87 1.363,88 22.79,89 8.28,90 37.755,91 11.615,92 0.199,93 1.211,94 22,95 7.814,96 29.45,97 11.257,98 0.159,99 1.014,100 16.28,101 5.745,102 25.423,103 8.131,104 5,105 40,106 0.253,107 0.557,108 0.655,109 0.731,110 0.753,111 0.753,112 3.305,113 0.841,114 -4.65,115 -4.57,116 -4.3,119 44.2,125 1,139 10,141 2,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 8,169 2,170 4,172 3,173 3,178 8,181 4,182 4,184 1,185 1,189 4,192 2,193 2,195 3,196 3,197 1,200 2,201 4,205 1,207 4,209 1,210 1,215 8,220 2,221 8,223 1,224 1,229 8,234 6,241 4,246 10,248 1,249 1,251 4,254 1,256 4,260 8,265 4,270 4,273 980,274 17.861,275 17.861,276 17.861,277 17.861,278 17.861,279 15.071,280 19.714,281 10.751,282 18.245,283 14.37,284 14.37,285 14.37,286 14.37,287 14.37,288 10.337,289 29.264,290 5.166,291 15.046,292 3.95,293 2.169,294 1.598,295 1.151,296 1.023,297 1.023,298 4.006,300 1,301 1,302 1,303 543,304 2.739,307 304.846,311 115.575,314 1.379,315 17.859,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 55.5,327 248,328 4.543,329 3.311,330 6.531,331 4.041,332 3.098,333 4.491,334 0.916,335 10.31,336 2.919,337 4.256,338 3.102,339 6.485,340 3.944,341 3,342 3.736,343 0.172,344 10.118,345 2.831,346 3.75,347 2.546,348 5.302,349 3.311,350 2.366,351 3.298,353 6.847,354 2.256,355 3.736,356 2.323,357 5.247,358 3.269,359 2.278,360 3.223,362 6.4,363 2.239,364 3.429,365 2.175,366 5.062,367 2.966,368 2.039,369 2.811,371 5.803,372 1.884,373 3.375,374 2.039,375 4.971,376 2.883,377 1.959,378 2.703,380 5.756,381 1.807,382 3.086,383 1.722,384 4.123,385 2.644,386 1.663,387 2.314,389 3.742,390 1.627,391 2.781,392 1.352,393 3.709,394 2.31,395 1.317,396 1.908,398 2.88,399 1.306,400 2.5,401 1.059,402 3.555,403 2,404 1.008,405 1.5,407 2.565,408 1,409 2.5,410 1,411 3.386,412 2,413 1,414 1.5,415 2.136,416 1,417 2.454,418 1,419 3.247,420 1.92,421 1,422 1.434,423 2.136,424 0.918,425 2.098,426 0.923,427 3.247,428 1.742,429 0.785,430 0.998,431 2.072,432 0.75,433 1.461,434 0.281,435 2.867,436 1.034,437 0.11,438 0.143,439 0.282,440 0.102,441 0.985,442 -0.24,443 2.653,444 0.522,445 -0.406,446 -0.521,448 -1.085,449 -0.374,450 0.811,451 -0.313,452 2.5,453 0.423,454 -0.503,455 -0.62,457 -1.287,458 -0.467,459 12.3,460 0.473,461 0.554,462 0.021,463 41.25,464 1.587,465 23.5,466 0.904,467 17.75,468 0.683,469 15.657,470 0.602,471 26.1,472 0.607,473 29.459,474 1.133,475 8.258,476 0.318,477 4.446,478 0.171,479 0.065,481 0.317,485 1.096,486 1.274,487 0.756,488 0.925,489 1.243,490 0.814,491 0.721,492 1.127,493 0.793,494 1.033,495 0.54,496 0.945,497 1.067,498 1.001,499 0.967,500 0.944,501 0.845,502 0.941,503 0.802,504 0.918,505 0.988,506 1.028,507 0.626,508 1.035,509 0.928,510 1.019,511 1.026,512 1.066,513 0.904,514 1.062,515 0.894,516 0.861,517 1.071,518 1.02,519 0.986,520 1.063,521 0.844,522 0.944,523 0.886,524 0.941,525 0.738,526 0.924,527 0.958,528 1.128,529 0.977,530 1.079,531 0.932,532 1.04,533 4.5,534 0.123,535 2.444,536 1.688,537 1.56,538 0.431,539 0.383,540 0.486,541 0.246,542 0.171,543 7819,544 21016,545 2.148,546 39.5,548 12,550 1,551 4,555 1.696,556 2.053,557 3.217,558 1.735,559 1,560 1,564 63.48,565 1.476,566 3.257,567 3.828,568 4.275,569 4.403,570 4.403,571 2.642,572 3.715,573 4.675,574 3.374,575 1096.58,576 8.124,577 13486.1,579 1,581 1,582 233.329,583 1.239,584 4.65,585 0.155,586 0.009,587 0.061,588 0.041,589 0.041,590 0.011,591 0.011,592 0.015,593 0.009,594 0.008,595 0.361,597 1,598 0.465,599 125.619,600 -0.166,601 -0.131,602 0.028,603 0.017,604 -0.295,605 0.046,606 0.26,607 -0.027,608 0.052,609 -0.091,610 0.215,611 -0.059,612 0.053,613 0.06,614 -0.038,615 -0.018,616 -0.003,617 -0.038,618 0.175,619 0.096,620 -0.051,621 -0.061,622 0.221,623 -0.086,624 -0.08,625 -0.043,626 -0.09,627 -0.065,628 -0.041,629 -0.076,630 -0.011,631 0.091,632 -0.095,633 -0.018,634 -0.134,635 -0.06,636 -0.011,637 -0.044,638 0.131,639 0.087,640 0.028,641 0.123,642 -0.019,643 -0.162,644 -0.003,645 -0.095,646 0.054,647 -0.056,648 1.577,649 1.932,650 0.846,651 20.414,652 1.003,653 1.129,654 3.423,655 11.72,656 0.694,657 3.401,658 3.714,659 3.989,660 4.277,661 4.533,662 4.533,663 4.673,664 4.804,665 4.92,666 4.905,667 5.8,668 0.669,669 343.43,670 3.401,671 4.934,672 5.784,673 6.661,674 7.528,675 8.41,676 9.285,677 10.169,678 11.047,679 11.933,680 16.3,684 2,688 1,690 4,694 2,695 11,696 4,700 5,702 23,711 2,714 1,718 43,719 23,720 2,721 29,723 46,724 19,725 18,726 2,727 10,729 4,730 5,741 18,742 1,753 1,754 1,757 17,758 7,759 4,760 7,764 7,769 0.75,774 1,776 1,781 4,785 1,802 3,810 26,811 2,816 1,821 1,836 12.667,837 7.583,838 5.694,839 2.339,840 3.363,841 1.463,842 1.041,843 4.339,844 10.629,845 3.726,846 4.363,847 4.97,848 5.584,849 6.182,850 6.377,851 6.79,852 7.214,853 7.644,854 7.809,855 1,856 41,857 9.508,859 4.013,860 7.699,861 18.033,863 14.557,865 2.199,866 57.167,869 1,870 153.024,871 122.272,872 136.061,877 122.272,878 153.024,879 136.061,881 2.106,882 160.557,883 78.913,884 24.301,885 4.227,886 141.253,888 153.024,889 258.333,893 154.74,897 21.077,898 168.398,899 67.142,901 153.024,902 136.061,903 122.272,906 153.024,907 18.462,908 106.934,910 132.936,911 153.024,912 136.061,913 122.272,915 0.576,916 0.335,917 0.193,918 0.11,919 20,920 8,921 0.087,922 4,923 1,924 1.091,925 3.795,926 224.963,927 0.091,928 22,929 102.211,933 16.246,934 6.944,935 3.442,936 0.85,937 136.061,938 21.914,939 16.979,943 3.189,945 65.794,946 411.357,947 40.5,956 43.131,957 48.564,958 0.272,959 0.6,960 0.705,961 0.788,962 0.811,963 0.811,964 4.933,965 1.317,966 5.753,967 3.742,968 4.394,969 5.05,970 0.918,971 6.55,972 4.299,973 6.143,974 1.008,975 7.295,976 2.88,977 3.892,978 4.745,979 0.325,980 7.402,981 3.715,982 7.443,983 1,984 8.94,985 2.565,986 5.964,987 7.283,988 0.671,989 10.531,990 5.76,991 8.778,992 1,993 10.647,994 2.136,995 6.293,996 7.814,997 0.393,998 12.241,999 5.999,1000 10.145,1001 0.785,1002 12.396,1003 2.136,1004 7.819,1005 9.798,1006 0.533,1007 14.869,1008 7.499,1009 11.536,1010 0.11,1011 14.173,1012 2.072,1013 8.555,1014 10.771,1015 0.384,1016 16.937,1017 8.146,1018 12.945,1019 -0.406,1020 15.972,1021 0.282,1022 9.844,1023 12.493,1024 0.438,1025 19.382,1026 9.402,1027 3.098,1028 -0.503,1029 17.786,1030 -1.085,1031 10.783,1032 13.713,1033 0.351,1034 21.601,1035 10.258,1036 3,1037 10.31,1038 19.612,1039 -1.287,1040 11.97,1041 15.309,1042 0.366,1043 23.975,1044 11.402,1045 2.366,1046 10.118,1047 21.448,1048 4.491,1049 13.005,1050 16.664,1051 0.312,1052 26.256,1053 12.362,1054 2.278,1055 6.847,1056 23.291,1057 3.736,1058 14.149,1059 18.201,1060 0.309,1061 28.601,1062 13.456,1063 2.039,1064 6.4,1065 25.14,1066 3.298,1067 15.229,1068 19.627,1069 0.273,1070 30.907,1071 14.467,1072 1.959,1073 5.803,1074 26.994,1075 3.223,1076 16.357,1077 21.139,1078 0.262,1079 33.241,1080 15.54,1081 1.663,1082 5.756,1083 28.852,1084 2.811,1085 17.458,1086 22.601,1087 0.236,1088 35.558,1089 16.576,1090 7374,1091 12253,1092 19.879,1093 29.847,1094 43.627,1095 43.264,1096 43.74,1097 43.291,1098 43.25,1099 60.115,1100 2.178,1101 122.096,1102 41.275,1103 5.38,1104 5.311,1105 6.333,1106 5.122,1107 5.098,1108 7.491,1109 1.605,1110 17.204,1111 4.919,1112 9.262,1113 1.504,1114 1.492,1115 1.508,1116 1.493,1117 1.491,1118 2.073,1119 0.075,1120 4.21,1121 1.423,1122 4.051,1123 4.1,1124 4.027,1125 3.919,1126 5.342,1127 3.932,1128 3.94,1129 3.98,1130 3.891,1131 3.815,1132 4.989,1133 3.838,1134 3.808,1135 3.841,1136 3.729,1137 3.753,1138 4.876,1139 3.743,1140 3.506,1141 3.575,1142 3.439,1143 3.323,1144 4.802,1145 3.343,1146 3.159,1147 3.243,1148 3.067,1149 2.946,1150 4.688,1151 2.967,1152 3.1,1153 3.218,1154 2.992,1155 2.78,1156 4.228,1157 2.822,1158 2.854,1159 2.925,1160 2.708,1161 2.735,1162 4.05,1163 2.715,1164 2.854,1165 2.925,1166 2.687,1167 2.735,1168 3.89,1169 2.715,1170 0.157,1171 0.114,1172 0.225,1173 0.139,1174 0.107,1175 4.543,1176 0.155,1177 3.311,1178 0.032,1179 6.531,1180 0.356,1181 4.041,1182 0.101,1183 3.098,1184 4.491,1185 0.916,1186 10.31,1187 2.919,1188 1.961,1189 1.925,1190 2.062,1191 2.12,1192 1.172,1193 2.091,1194 1.89,1195 1.849,1196 1.961,1197 2.028,1198 1.01,1199 2.021,1200 1.824,1201 1.794,1202 1.94,1203 1.905,1204 0.972,1205 1.926,1206 1.441,1207 1.381,1208 1.599,1209 1.662,1210 0.714,1211 1.649,1212 1.088,1213 1.016,1214 1.295,1215 1.382,1216 0.268,1217 1.366,1218 0.981,1219 0.874,1220 1.257,1221 1.347,1222 0.218,1223 1.334,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1228 0.218,1229 1.107,1230 0.886,1231 0.821,1232 1.181,1233 1.062,1234 0.108,1235 1.107,1236 4.078,1238 5.389,1240 6.909,1242 8.523,1244 10.185,1250 11.549,1252 0.529,1257 2.157,1262 28.784,1263 63.48,1264 140.056,1265 164.6,1266 183.82,1267 189.329,1268 189.329,1269 30.625,1270 7.266,1271 106.84,1272 106.84,1273 24,1274 12.466,1275 4.585,1276 3.644,1277 37.818,1278 90,1279 90,1280 0.204,1281 178.81,1282 292.18,1283 428.056,1284 12644,1286 17.933,1287 0.69,1288 0.536,1289 17.933,1290 13.949,1291 12.704,1292 0.438,1293 0.28,1294 8.022,1295 12.285,1296 7.869,1297 6.549,1298 12.704,1299 8.128,1300 11.353,1301 0.284,1302 0.144,1303 11.353,1304 5.758,1305 9.483,1306 0.179,1307 0.075,1308 9.483,1309 3.957,1310 8.265,1311 0.116,1312 0.039,1313 8.265,1314 2.768,1315 6.912,1316 0.075,1317 0.021,1318 6.912,1319 1.9,1320 0.314,1321 79.015,1322 0.224,1323 24.769,1324 0.581,1325 138,1326 378.85,1327 150.961,1328 381.349,1329 538.07,1330 358,1331 162,1332 417.127,1333 175.489,1334 425.113,1335 620.79,1336 401,1337 5.398}
{0 CHEMBL424135,1 1.664,2 10.208,3 1.359,4 1.848,5 92.547,6 7.771,7 0.654,8 3.863,9 3.993,10 3.452,11 3.303,12 5.079,13 3.327,14 4.332,15 4.506,16 3.782,17 3.645,18 5.518,19 3.654,20 4.455,21 4.62,22 3.86,23 3.77,24 5.611,25 3.764,26 4.58,27 4.789,28 3.755,29 3.777,30 5.721,31 3.719,32 4.608,33 4.854,34 3.564,35 3.729,36 5.591,37 3.631,38 4.509,39 4.766,40 3.452,41 3.603,42 5.488,43 3.505,44 4.412,45 4.663,46 3.403,47 3.49,48 5.369,49 3.42,50 4.221,51 4.435,52 3.377,53 3.421,54 5.295,55 3.355,56 0.104,57 0.66,58 8.34,59 3.08,60 12.572,61 4.136,62 0.373,63 0.954,64 15.571,65 5.266,66 30.786,67 6.927,68 0.287,69 1.106,70 16.607,71 5.542,72 22.119,73 7.799,74 0.474,75 1.147,76 20.485,77 6.691,78 42.911,79 9.45,80 0.479,81 1.084,82 22.747,83 6.79,84 40.949,85 10.289,86 0.404,87 0.944,88 21.016,89 6.483,90 38.998,91 9.538,92 0.455,93 0.814,94 19.963,95 5.827,96 36.282,97 8.41,98 0.254,99 0.766,100 14.519,101 5,102 23.56,103 7.174,104 21,105 36,106 0.291,107 0.66,108 0.779,109 0.837,110 0.854,111 0.879,112 3.228,113 0.835,114 -2.9,115 -2.91,116 -2.81,119 38.1,124 2,125 1,139 4,140 2,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 7,172 3,173 3,175 3,178 2,180 1,182 6,185 1,187 3,189 1,191 1,192 1,193 2,195 3,196 5,197 1,198 4,200 2,201 1,204 2,205 1,206 1,207 1,212 1,215 2,218 1,221 3,224 2,225 1,226 1,228 1,229 3,231 1,233 1,234 3,241 2,245 1,246 4,250 1,251 1,253 1,254 1,256 1,259 2,260 2,262 1,263 1,265 1,270 1,273 754,274 16.273,275 16.273,276 16.273,277 16.273,278 16.273,279 14.213,280 22.895,281 9.454,282 16.912,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.461,289 31.769,290 4.328,291 13.549,292 3.728,293 1.618,294 0.941,295 0.607,296 0.512,297 0.369,298 3.91,300 1,301 1,302 1,303 519,304 2.828,307 202.314,311 104.615,314 1.458,315 22.317,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 53,327 245,328 4.541,329 3.171,330 6.502,331 4.039,332 3.079,333 4.491,334 0.86,335 10.175,336 2.958,337 4.267,338 3.114,339 6.173,340 3.859,341 2.905,342 3.911,343 0.86,344 9.172,345 2.767,346 3.77,347 2.697,348 5.313,349 3.373,350 2.41,351 3.232,352 0.657,353 6.885,354 2.322,355 3.543,356 2.626,357 5.22,358 3.155,359 2.235,360 2.856,362 6.487,363 2.047,364 3.429,365 2.196,366 5.062,367 2.975,368 2.044,369 2.811,371 5.803,372 1.895,373 3.373,374 2.061,375 4.971,376 2.887,377 1.965,378 2.696,380 5.756,381 1.808,382 2.918,383 1.911,384 4.391,385 2.536,386 1.594,387 2.058,389 4.254,390 1.497,391 2.454,392 1.255,393 3.71,394 1.945,395 1.008,396 1.434,398 2.565,399 0.942,400 2.032,401 1.059,402 3.284,403 1.724,404 0.805,405 0.955,407 1.761,408 0.733,409 1.815,410 0.925,411 3.014,412 1.551,413 0.656,414 0.736,415 1.223,416 0.584,417 1.471,418 0.888,419 2.756,420 1.19,421 0.332,422 0.366,423 0.463,424 0.283,425 1.338,426 0.228,427 2.641,428 0.94,429 0.021,430 0.027,431 0.049,432 0.019,433 0.976,434 -0.03,435 2.529,436 0.51,437 -0.407,438 -0.499,439 -0.812,440 -0.37,441 0.818,442 -0.294,443 2.39,444 0.449,445 -0.471,446 -0.588,448 -1.154,449 -0.428,450 0.639,451 -0.403,452 2.206,453 0.236,454 -0.706,455 -0.867,457 -1.804,458 -0.657,459 11.067,460 0.461,461 0.571,462 0.024,463 35,464 1.458,465 18.5,466 0.771,467 16.5,468 0.688,469 15.466,470 0.644,471 26.133,472 0.622,473 25.282,474 1.053,475 7.213,476 0.301,477 4.388,478 0.183,479 0.163,481 0.361,485 1.069,486 1.389,487 0.794,488 1.098,489 1.22,490 0.907,491 1.183,492 0.855,493 0.782,494 0.781,495 0.747,496 0.732,497 1.08,498 1.422,499 0.963,500 1.187,501 0.907,502 1.071,503 0.908,504 1.026,505 1.119,506 1.178,507 0.861,508 1.196,509 0.885,510 1.049,511 1.098,512 1.079,513 0.991,514 1.115,515 0.895,516 0.826,517 1.029,518 1.031,519 0.929,520 1.051,521 1.26,522 0.772,523 0.92,524 0.765,525 0.911,526 0.793,527 0.806,528 1.195,529 0.955,530 1.241,531 0.84,532 1.157,533 5.5,534 0.136,535 2.667,536 1.5,537 1.711,538 0.646,539 0.345,540 0.295,541 0.242,542 0.217,543 6310,544 18928,545 2.04,546 42.9,548 12,550 1,551 5,555 1.667,556 1.895,557 3.315,558 2.702,559 1,560 1,562 1,564 69.909,565 1.664,566 3.774,567 4.452,568 4.785,569 4.88,570 5.023,571 2.709,572 3.835,573 4.56,574 3.46,575 954.832,576 7.859,577 11355.9,578 1,579 1,582 226.477,583 1.459,584 4.507,585 0.212,586 0.009,587 0.074,588 0.039,589 0.053,590 0.025,591 0.015,592 0.013,593 0.011,594 0.011,595 0.462,596 0.17,597 1,598 0.921,599 114.568,600 -0.169,601 -0.15,602 0.023,603 -0.04,604 -0.273,605 0.032,606 -0.036,607 0.239,608 0.14,609 0.235,610 0.146,611 0.212,612 -0.124,613 -0.284,614 -0.087,615 -0.165,616 -0.08,617 -0.126,618 0.033,619 0.032,620 -0.191,621 -0.194,622 0.049,623 -0.243,624 -0.032,625 -0.093,626 -0.127,627 -0.092,628 -0.112,629 -0.117,630 -0.015,631 0.102,632 -0.039,633 -0.046,634 -0.039,635 -0.044,636 -0.104,637 0.08,638 0.12,639 0.233,640 -0.013,641 0.219,642 0.066,643 -0.207,644 -0.019,645 -0.204,646 0.023,647 -0.146,648 1.556,649 1.889,650 0.667,651 19.25,652 1.014,653 1.14,654 1.673,655 2.799,656 0.655,657 3.296,658 3.611,659 3.871,660 4.111,661 4.344,662 4.357,663 4.369,664 4.394,665 4.543,666 4.575,667 6.047,668 0.636,669 326.4,670 3.296,671 4.828,672 5.673,673 6.547,674 7.408,675 8.284,676 9.15,677 10.027,678 10.896,679 11.773,680 14.3,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,716 2,718 42,719 17,720 1,721 26,723 44,724 16,725 13,726 3,727 3,729 3,730 4,741 13,742 3,753 1,754 1,757 18,758 8,759 5,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 1,817 1,818 2,829 4.8,834 2,836 12.667,837 8.017,838 5.417,839 2.094,840 3.404,841 1.48,842 0.988,843 4.758,844 10.499,845 3.57,846 4.22,847 4.834,848 5.43,849 6.019,850 6.249,851 6.532,852 6.847,853 7.273,854 7.35,855 0.857,856 38,857 8.757,859 3.602,860 7.806,861 16.397,863 12.776,865 2.306,866 55.333,870 153.024,871 95.769,872 134.162,874 22,877 95.769,878 175.024,879 134.162,880 21.766,881 2.106,882 103.699,883 80.138,884 51.765,885 4.227,886 141.253,888 153.024,889 229.93,890 22,893 154.74,894 22,897 13.052,898 146.796,899 68.367,901 153.024,902 156.161,903 95.769,906 153.024,907 27.05,908 68.719,909 18.011,910 138.151,911 153.024,912 156.161,913 95.769,915 0.577,916 0.346,917 0.187,918 0.103,919 17,920 8,921 0.114,922 5,923 1,924 1.125,925 3.591,926 190.566,927 0.125,928 16,929 108.039,933 16.392,934 6.967,935 3.565,936 1.142,937 156.161,938 9.147,939 12.308,943 3.624,945 83.805,946 404.955,947 34.5,956 42.567,957 47.9,958 0.309,959 0.7,960 0.826,961 0.887,962 0.905,963 0.932,964 4.79,965 1.008,966 5.659,967 4.254,968 4.29,969 4.905,970 1.573,971 6.457,972 4.173,973 6.015,974 0.805,975 7.213,976 2.565,977 3.892,978 4.808,980 7.322,981 3.74,982 7.334,983 0.656,984 8.86,985 1.761,986 5.878,987 7.19,988 1.27,989 10.384,990 5.67,991 8.69,992 0.332,993 10.561,994 1.223,995 6.256,996 7.878,998 12.037,999 6.01,1000 10.074,1001 0.021,1002 12.296,1003 0.463,1004 7.722,1005 9.755,1006 1.022,1007 14.625,1008 7.435,1009 11.478,1010 -0.407,1011 14.054,1012 0.049,1013 8.471,1014 10.833,1016 16.631,1017 8.145,1018 12.897,1019 -0.471,1020 15.83,1021 -0.812,1022 9.723,1023 12.494,1024 0.818,1025 19.044,1026 9.361,1027 3.079,1028 -0.706,1029 17.62,1030 -1.154,1031 10.658,1032 13.775,1034 21.212,1035 10.254,1036 2.905,1037 10.175,1038 19.421,1039 -1.804,1040 11.82,1041 15.338,1042 0.65,1043 23.557,1044 11.38,1045 2.41,1046 9.172,1047 21.232,1048 4.491,1049 12.844,1050 16.724,1052 25.797,1053 12.363,1054 2.235,1055 6.885,1056 23.051,1057 3.911,1058 13.97,1059 18.244,1060 0.511,1061 28.116,1062 13.452,1063 2.044,1064 6.487,1065 24.877,1066 3.232,1067 15.038,1068 19.683,1070 30.39,1071 14.478,1072 1.965,1073 5.803,1074 26.708,1075 2.856,1076 16.151,1077 21.185,1078 0.399,1079 32.7,1080 15.553,1081 1.594,1082 5.756,1083 28.545,1084 2.811,1085 17.24,1086 22.651,1088 34.99,1089 16.6,1090 6195,1091 10850,1092 17.107,1093 27.512,1094 38.055,1095 38.978,1096 39.894,1097 38.01,1098 38.109,1099 51.144,1100 4.755,1101 109.191,1102 35.71,1103 5.378,1104 5.171,1105 6.071,1106 5.114,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.958,1112 12.642,1113 1.464,1114 1.499,1115 1.534,1116 1.462,1117 1.466,1118 1.967,1119 0.183,1120 4.2,1121 1.373,1122 4.057,1123 4.099,1124 4.031,1125 3.935,1126 5.324,1127 3.953,1128 3.915,1129 3.937,1130 3.871,1131 3.814,1132 4.982,1133 3.825,1134 3.533,1135 3.6,1136 3.461,1137 3.346,1138 4.929,1139 3.368,1140 3.324,1141 3.372,1142 3.186,1143 3.03,1144 4.808,1145 3.056,1146 3.185,1147 3.276,1148 3.036,1149 2.906,1150 4.604,1151 2.924,1152 3.118,1153 3.225,1154 3.002,1155 2.861,1156 4.268,1157 2.853,1158 3.104,1159 3.206,1160 2.884,1161 2.81,1162 4.143,1163 2.845,1164 2.811,1165 2.889,1166 2.684,1167 2.649,1168 3.997,1169 2.648,1170 0.175,1171 0.122,1172 0.25,1173 0.155,1174 0.118,1175 4.541,1176 0.173,1177 3.171,1178 0.033,1179 6.502,1180 0.391,1181 4.039,1182 0.114,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.958,1188 1.978,1189 1.945,1190 2.042,1191 2.123,1192 1.169,1193 2.099,1194 1.869,1195 1.85,1196 1.955,1197 1.996,1198 1.051,1199 1.984,1200 1.466,1201 1.405,1202 1.627,1203 1.695,1204 0.727,1205 1.682,1206 1.238,1207 1.179,1208 1.59,1209 1.568,1210 0.586,1211 1.571,1212 1.139,1213 1.046,1214 1.534,1215 1.455,1216 0.556,1217 1.48,1218 1.072,1219 0.982,1220 1.325,1221 1.385,1222 0.243,1223 1.38,1224 0.994,1225 0.896,1226 1.258,1227 1.353,1228 0.142,1229 1.341,1230 0.806,1231 0.734,1232 1.094,1233 1.019,1235 1.044,1236 3.97,1238 5.283,1240 6.801,1242 8.416,1244 10.08,1246 3.236,1250 11.465,1252 0.524,1253 3.299,1254 10.586,1262 26.719,1263 69.909,1264 158.503,1265 186.968,1266 200.968,1267 204.968,1268 210.968,1269 32.454,1270 7.095,1271 121.2,1272 121.2,1273 18,1274 12.312,1275 4.17,1276 3.248,1277 39.368,1278 89,1279 76,1280 0.221,1281 167.407,1282 278.04,1283 400.233,1284 11138,1286 17.104,1287 0.713,1288 0.559,1289 17.104,1290 13.407,1291 11.601,1292 0.446,1293 0.278,1294 7.071,1295 10.959,1296 6.863,1297 5.753,1298 11.601,1299 7.239,1300 10.25,1301 0.285,1302 0.142,1303 10.25,1304 5.102,1305 8.663,1306 0.184,1307 0.075,1308 8.663,1309 3.544,1310 7.169,1311 0.119,1312 0.039,1313 7.169,1314 2.342,1315 5.751,1316 0.076,1317 0.021,1318 5.751,1319 1.562,1320 0.347,1321 74.138,1322 0.242,1323 23.447,1324 0.602,1325 124,1326 399.364,1327 139.637,1328 383.493,1329 527.46,1330 360,1331 145,1332 392.57,1333 160.362,1334 400.162,1335 579.61,1336 372,1337 5.301}
{0 CHEMBL425506,1 1.71,2 17.73,3 3.373,4 11.379,5 147.562,6 8.01,7 0.6,8 4.279,9 4.392,10 4.003,11 3.826,12 5.444,13 3.8,14 4.77,15 4.914,16 4.31,17 4.192,18 6.054,19 4.151,20 4.994,21 5.157,22 4.395,23 4.34,24 6.206,25 4.274,26 5.113,27 5.307,28 4.258,29 4.324,30 6.314,31 4.239,32 5.091,33 5.308,34 4.15,35 4.256,36 6.157,37 4.165,38 5.005,39 5.228,40 4.081,41 4.179,42 6.123,43 4.075,44 4.978,45 5.225,46 3.994,47 4.083,48 6.004,49 3.982,50 4.806,51 5.015,52 3.961,53 3.991,54 5.919,55 3.916,56 0.162,57 0.997,58 15.049,59 6.035,60 28.599,61 6.947,62 0.453,63 1.496,64 24.202,65 10.145,66 64.794,67 11.986,68 0.538,69 1.818,70 34.723,71 12.765,72 53.598,73 15.07,74 0.662,75 1.879,76 40.388,77 14.096,78 100.33,79 17.037,80 0.671,81 1.768,82 38.36,83 13.194,84 93.433,85 17.291,86 0.686,87 1.686,88 36.477,89 12.393,90 85.432,91 16.395,92 0.694,93 1.551,94 37.263,95 12.115,96 86.158,97 16.165,98 0.573,99 1.386,100 29.534,101 9.702,102 67.309,103 12.542,104 38,105 56,106 0.269,107 0.589,108 0.738,109 0.829,110 0.849,111 0.863,112 3.641,113 0.964,114 -3.22,115 -3.21,116 -3.08,119 40,121 1,124 1,125 2,139 11,140 2,141 6,142 1,144 1,147 1,157 3,158 3,159 3,166 9,169 2,170 4,172 3,173 3,175 5,178 9,180 3,181 1,182 14,185 1,187 5,189 8,191 3,193 13,195 1,196 1,197 1,198 2,200 2,201 5,204 2,205 1,207 8,212 4,215 8,218 3,221 5,223 2,224 5,226 4,229 4,231 2,233 2,236 1,237 1,239 7,241 2,243 4,245 2,246 2,248 1,249 1,251 6,254 6,256 3,259 2,260 2,262 1,263 1,265 1,268 6,273 2746,274 24.659,275 24.659,276 24.659,277 24.659,278 24.659,279 21.419,280 33.696,281 14.398,282 25.521,283 19.641,284 19.641,285 19.641,286 19.641,287 19.641,288 14.727,289 43.826,290 6.739,291 20.985,292 4.313,293 2.277,294 1.328,295 0.75,296 0.627,297 0.535,298 4.333,303 1405,304 4.123,307 598.474,314 2.71,315 47.532,318 0.5,319 0.33,320 0.5,321 0.4,323 0.5,324 0.5,325 0.39,326 81,327 656,328 4.969,329 5.351,330 7.666,331 4.375,332 3.511,333 4.863,334 2.95,335 13.611,336 2.999,337 4.307,338 3.245,339 6.187,340 3.912,341 2.949,342 3.954,343 0.86,344 9.231,345 2.847,346 4.197,347 3.125,348 6.073,349 3.765,350 2.82,351 3.84,352 0.86,353 8.783,354 2.662,355 3.954,356 3.063,357 5.628,358 3.525,359 2.554,360 3.552,361 0.68,362 7.207,363 2.476,364 3.816,365 2.627,366 5.299,367 3.375,368 2.404,369 3.343,370 0.4,371 6.647,372 2.324,373 3.595,374 2.543,375 5.249,376 3.228,377 2.279,378 2.924,380 6.577,381 2.156,382 3.365,383 2.421,384 4.997,385 2.944,386 2.007,387 2.664,389 5.681,390 1.871,391 3.277,392 2.277,393 4.916,394 2.866,395 1.917,396 2.547,398 5.638,399 1.805,400 2.951,401 2.152,402 4.409,403 2.598,404 1.691,405 2.081,407 4.305,408 1.524,409 2.916,410 1.668,411 4.226,412 2.391,413 1.433,414 2.046,415 3.781,416 1.371,417 2.824,418 1.554,419 4.125,420 2.349,421 1.406,422 1.953,423 3.648,424 1.319,425 2.5,426 1.376,427 3.601,428 2.229,429 1.257,430 1.5,431 2.928,432 1.215,433 2.5,434 1,435 3.414,436 2,437 1,438 1.5,439 2.275,440 1,441 2.5,442 1,443 3.414,444 2,445 1,446 1.497,448 2.275,449 1,450 1.871,451 0.99,452 3.164,453 1.583,454 0.667,455 0.778,457 1.495,458 0.605,459 17.567,460 0.475,461 1.002,462 0.027,463 53.75,464 1.453,465 30,466 0.811,467 23.75,468 0.642,469 27.764,470 0.75,471 40.033,472 0.616,473 45.289,474 1.224,475 10.739,476 0.29,477 7.018,478 0.19,479 0.135,480 0.047,481 0.285,485 0.837,486 1.171,487 0.853,488 1.087,489 0.902,490 0.88,491 0.936,492 0.961,493 0.819,494 0.932,495 0.643,496 0.895,497 1.036,498 1.164,499 1.185,500 1.213,501 0.86,502 1.076,503 1.296,504 1.026,505 1.211,506 1.158,507 1.397,508 1.13,509 1.216,510 0.992,511 0.909,512 0.95,513 1.213,514 1.025,515 0.823,516 1.053,517 1.029,518 1.082,519 0.537,520 1.091,521 0.971,522 0.903,523 0.869,524 0.872,525 0.897,526 0.883,527 1.042,528 1.073,529 1.026,530 1.074,531 0.95,532 1.066,533 9,534 0.194,535 5.111,536 2.625,537 2.031,538 1.076,539 0.829,540 0.665,541 0.271,542 0.271,543 25360,544 76150,545 2.032,546 43.1,547 2,548 18,550 1,551 7,555 1.773,556 1.889,557 4.046,558 3.889,564 111.127,565 1.71,566 3.745,567 4.694,568 5.272,569 5.395,570 5.488,571 3.48,572 4.831,573 5.182,574 4.259,575 2836.3,576 9.068,577 51036.4,582 391.454,583 1.556,584 5.128,585 0.225,586 0.007,587 0.091,588 0.044,589 0.04,590 0.023,591 0.019,592 0.017,593 0.007,594 0.008,595 0.482,596 0.17,597 0.75,598 0.707,599 210.87,600 -0.06,601 0.05,602 0.137,603 0.044,604 -0.227,605 0.081,606 0.067,607 0.126,608 0.101,609 0.104,610 0.189,611 0.067,612 -0.036,613 -0.081,614 -0.106,615 -0.104,616 0.026,617 -0.098,618 -0.175,619 -0.04,620 -0.196,621 -0.135,622 -0.117,623 -0.152,624 -0.149,625 -0.085,626 -0.025,627 -0.016,628 -0.163,629 -0.031,630 0.091,631 -0.085,632 -0.067,633 -0.105,634 0.135,635 -0.095,636 0.037,637 -0.009,638 0.103,639 0.082,640 0.004,641 0.128,642 -0.004,643 -0.087,644 -0.081,645 -0.116,646 -0.066,647 -0.096,648 4.527,649 5.78,650 0.649,651 51.844,652 1.011,653 1.128,654 1.991,655 3.966,656 0.675,657 3.714,658 4.043,659 4.277,660 4.454,661 4.663,662 4.682,663 4.718,664 4.745,665 4.787,666 4.868,667 10.055,668 0.646,669 520.67,670 3.714,671 5.263,672 6.103,673 6.973,674 7.828,675 8.701,676 9.562,677 10.436,678 11.301,679 12.176,680 9.2,684 3,685 1,690 2,695 12,696 2,700 10,702 24,711 3,712 1,716 2,718 65,719 26,720 3,721 40,723 68,724 26,725 22,726 7,727 11,729 4,730 4,739 1,741 22,742 4,744 2,747 1,748 2,757 28,758 10,759 7,760 11,761 1,764 6,769 1,770 4,776 1,781 4,802 4,804 1,806 1,810 37,811 3,813 1,816 3,817 1,818 2,829 6.2,832 2,834 2,836 19.583,837 11.483,838 8.139,839 3.39,840 4.099,841 1.51,842 1.002,843 8.383,844 12.13,845 4.007,846 4.644,847 5.182,848 5.678,849 6.204,850 6.36,851 6.575,852 6.765,853 7.071,854 7.389,855 0.917,856 59,857 13.851,859 6.098,860 7.921,861 25.544,863 20.72,865 2.421,866 89.583,870 247.193,871 169.148,872 150.273,874 66.313,876 6.046,877 163.102,878 313.506,879 150.273,880 10.883,881 9.233,882 208.976,883 107.666,884 56.52,885 4.227,886 235.422,888 247.193,889 313.375,890 66.313,891 6.046,893 247.193,894 66.313,897 20.179,898 241.614,899 57.628,901 247.193,902 216.586,903 169.148,905 6.046,906 247.193,907 38.933,908 124.169,909 18.011,910 198.575,911 247.193,912 216.586,913 169.148,915 0.586,916 0.341,917 0.17,918 0.093,919 25,920 12,921 0.147,922 10,924 1,925 4.837,926 334.308,928 24,929 182.75,932 1,933 26.541,934 11.687,935 6.627,937 216.586,938 19.919,939 7.98,943 5.057,945 116.702,946 632.927,947 54,950 -3.611,951 25.56,956 65.716,957 73.315,958 0.284,959 0.622,960 0.779,961 0.875,962 0.896,963 0.911,964 5.242,965 1.917,966 6.111,967 5.681,968 4.727,969 5.333,970 3.118,971 6.938,972 4.6,973 6.48,974 1.691,975 7.694,976 5.638,977 4.443,978 5.338,980 8.106,981 4.179,982 7.821,983 1.433,984 9.392,985 4.305,986 6.378,987 7.629,988 5.044,989 11.156,990 6.09,991 9.206,992 1.406,993 11.167,994 3.781,995 6.919,996 8.457,998 13.244,999 6.444,1000 10.628,1001 1.257,1002 12.997,1003 3.648,1004 8.368,1005 10.273,1006 7.186,1007 15.938,1008 7.86,1009 12.078,1010 1,1011 14.869,1012 2.928,1013 9.286,1014 11.481,1016 18.372,1017 8.571,1018 13.552,1019 1,1020 16.775,1021 2.275,1022 10.568,1023 13.126,1024 9.348,1025 20.992,1026 9.785,1027 3.511,1028 0.667,1029 18.708,1030 2.275,1031 11.66,1032 14.52,1034 23.542,1035 10.672,1036 2.949,1037 13.611,1038 20.663,1039 1.495,1040 12.893,1041 16.104,1042 11.511,1043 26.151,1044 11.798,1045 2.82,1046 9.231,1047 22.636,1048 4.863,1049 14.064,1050 17.589,1052 28.74,1053 12.774,1054 2.554,1055 8.783,1056 24.622,1057 3.954,1058 15.29,1059 19.156,1060 13.675,1061 31.348,1062 13.864,1063 2.404,1064 7.207,1065 26.62,1066 3.84,1067 16.498,1068 20.687,1070 33.95,1071 14.885,1072 2.279,1073 6.647,1074 28.626,1075 3.552,1076 17.729,1077 22.253,1078 15.838,1079 36.559,1080 15.961,1081 2.007,1082 6.577,1083 30.639,1084 3.343,1085 18.956,1086 23.806,1088 39.167,1089 17.007,1090 24127,1091 42008,1092 26.235,1093 43.875,1094 59.433,1095 61.707,1096 61.385,1097 59.365,1098 59.304,1099 79.815,1100 11.5,1101 171.174,1102 55.708,1103 5.871,1104 7.351,1105 7.348,1106 5.493,1107 5.511,1108 7.863,1109 5.9,1110 21.57,1111 4.999,1112 21.189,1113 1.486,1114 1.543,1115 1.535,1116 1.484,1117 1.483,1118 1.995,1119 0.288,1120 4.279,1121 1.393,1122 4.134,1123 4.112,1124 4.754,1125 4.154,1126 7.715,1127 4.061,1128 3.98,1129 4.006,1130 3.937,1131 3.891,1132 6.999,1133 3.895,1134 3.843,1135 3.881,1136 3.782,1137 3.768,1138 5.292,1139 3.765,1140 3.806,1141 3.846,1142 3.765,1143 3.646,1144 5.108,1145 3.671,1146 3.597,1147 3.62,1148 3.681,1149 3.489,1150 4.98,1151 3.433,1152 3.425,1153 3.441,1154 3.326,1155 3.254,1156 4.917,1157 3.243,1158 3.283,1159 3.346,1160 3.139,1161 3.031,1162 4.725,1163 3.048,1164 3.159,1165 3.25,1166 3.004,1167 2.923,1168 4.467,1169 2.928,1170 0.124,1171 0.134,1172 0.192,1173 0.109,1174 0.088,1175 4.969,1176 0.122,1177 5.351,1178 0.074,1179 7.666,1180 0.34,1181 4.375,1182 0.075,1183 3.511,1184 4.863,1185 2.95,1186 13.611,1187 2.999,1188 2.027,1189 2.045,1190 2.032,1191 2.075,1192 1.261,1193 2.114,1194 1.933,1195 1.911,1196 2.017,1197 2.047,1198 1.208,1199 2.041,1200 1.837,1201 1.806,1202 1.956,1203 1.949,1204 1.069,1205 1.952,1206 1.73,1207 1.69,1208 1.819,1209 1.914,1210 0.968,1211 1.891,1212 1.498,1213 1.467,1214 1.719,1215 1.712,1216 0.855,1217 1.729,1218 1.322,1219 1.32,1220 1.573,1221 1.528,1222 0.573,1223 1.542,1224 1.218,1225 1.15,1226 1.371,1227 1.488,1228 0.528,1229 1.52,1230 1.114,1231 1.037,1232 1.261,1233 1.402,1234 0.381,1235 1.401,1236 4.394,1238 5.72,1240 7.241,1242 8.847,1244 10.497,1246 1.574,1250 17.143,1252 1.378,1253 3.218,1254 11.365,1262 41.969,1263 111.127,1264 243.445,1265 305.135,1266 342.699,1267 350.699,1268 356.699,1269 83.935,1270 8.031,1271 168.47,1272 176.85,1273 24,1274 12.718,1275 4.755,1276 3.907,1277 65.548,1278 230,1279 204,1280 0.136,1281 263.351,1282 453.31,1283 634.336,1284 42478,1286 26.416,1287 0.714,1288 0.568,1289 26.666,1290 21.034,1291 17.756,1292 0.444,1293 0.321,1294 11.32,1295 16.251,1296 10.927,1297 9.087,1298 18.545,1299 12.855,1300 16.279,1301 0.291,1302 0.181,1303 17.598,1304 10.122,1305 13.422,1306 0.189,1307 0.104,1308 14.763,1309 7.369,1310 10.397,1311 0.122,1312 0.057,1313 11.474,1314 4.884,1315 8.252,1316 0.079,1317 0.033,1318 9.178,1319 3.414,1320 0.227,1321 119.631,1322 0.195,1323 34.884,1324 0.342,1325 192,1326 597.362,1327 250.86,1328 599.009,1329 811.9,1330 554,1331 223,1332 568.26,1333 287.478,1334 614.47,1335 889.31,1336 574,1337 5.141}
{0 CHEMBL425893,1 1.605,2 12.9,3 3.587,4 12.863,5 115.129,6 7.651,7 0.531,8 4.063,9 4.184,10 3.629,11 3.578,12 5.288,13 3.574,14 4.546,15 4.718,16 3.968,17 3.94,18 5.792,19 3.908,20 4.732,21 4.906,22 4.04,23 4.091,24 5.865,25 4.047,26 4.838,27 5.031,28 4.02,29 4.124,30 5.991,31 4.051,32 4.892,33 5.124,34 3.894,35 4.1,36 5.985,37 4.005,38 4.823,39 5.072,40 3.841,41 4.034,42 5.83,43 3.929,44 4.713,45 4.929,46 3.815,47 3.982,48 5.737,49 3.891,50 4.742,51 4.976,52 3.8,53 3.914,54 5.85,55 3.826,56 0.094,57 0.782,58 10.349,59 4.453,60 19.21,61 5.656,62 0.38,63 1.186,64 19.012,65 7.769,66 57.217,67 10.162,68 0.284,69 1.406,70 22.884,71 8.837,72 50.622,73 11.728,74 0.419,75 1.527,76 26.322,77 10.159,78 63.213,79 13.546,80 0.437,81 1.554,82 29.363,83 9.792,84 75.767,85 13.882,86 0.357,87 1.4,88 28.159,89 10.208,90 56.034,91 14.652,92 0.239,93 1.297,94 23.812,95 9.285,96 39.128,97 12.86,98 0.43,99 1.281,100 25.741,101 8.872,102 54.336,103 12.645,104 46,105 44,106 0.265,107 0.679,108 0.852,109 0.879,110 0.879,111 0.879,112 3.44,113 0.884,114 -4.68,115 -4.6,116 -4.32,119 41.5,120 1,121 4,124 1,138 2,139 3,140 5,141 1,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 14,167 1,169 2,170 7,172 3,173 4,175 2,178 16,179 1,180 1,182 8,187 2,189 15,190 1,191 1,192 1,193 9,195 3,196 3,197 1,198 4,200 2,201 13,202 1,204 3,205 1,207 6,212 3,215 12,216 1,218 2,220 1,221 8,226 4,229 12,230 1,231 3,234 6,239 3,241 9,242 2,243 2,245 2,246 8,248 1,249 1,251 5,254 5,255 2,256 3,260 8,265 5,268 4,269 1,270 3,273 1672,274 19.938,275 19.938,276 19.938,277 19.938,278 19.938,279 17.299,280 23.732,281 11.819,282 20.349,283 15.727,284 15.727,285 15.727,286 15.727,287 15.727,288 11.681,289 27.857,290 5.556,291 16.302,292 4.123,293 1.614,294 0.571,295 0.406,296 0.406,297 0.406,298 4.12,301 1,302 1,303 808,304 3.808,307 267.798,311 139.528,314 2.04,315 33.379,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 65.5,327 387,328 4.658,329 3.596,330 6.838,331 4.194,332 3.219,333 4.617,334 2.341,335 11.245,336 3.143,337 4.315,338 3.358,339 6.206,340 3.891,341 2.915,342 3.958,343 0.86,344 9.303,345 2.847,346 3.962,347 3.179,348 5.769,349 3.474,350 2.512,351 3.406,352 0.68,353 7.764,354 2.422,355 3.845,356 2.84,357 5.252,358 3.265,359 2.28,360 3.125,362 6.639,363 2.238,364 3.548,365 2.677,366 5.097,367 3.216,368 2.219,369 2.861,371 5.914,372 2.186,373 3.453,374 2.313,375 5.01,376 2.978,377 2.043,378 2.711,380 5.795,381 1.904,382 3.381,383 2.232,384 4.659,385 2.899,386 1.976,387 2.698,389 5.182,390 1.819,391 3.201,392 2.061,393 4.43,394 2.555,395 1.563,396 2.07,398 4.186,399 1.548,400 2.877,401 1.879,402 4.15,403 2.499,404 1.526,405 2.01,407 3.394,408 1.477,409 2.69,410 1.5,411 3.646,412 2.255,413 1.3,414 1.76,415 3.197,416 1.238,417 2.301,418 1.236,419 3.208,420 1.828,421 0.85,422 1.089,423 1.749,424 0.824,425 1.874,426 1.113,427 3.067,428 1.542,429 0.606,430 0.733,431 1.251,432 0.561,433 1.622,434 0.65,435 2.835,436 1.292,437 0.357,438 0.432,439 0.758,440 0.332,441 1.203,442 0.572,443 2.813,444 0.91,445 -0.069,446 -0.08,448 -0.136,449 -0.067,450 1.174,451 0.389,452 2.65,453 0.839,454 -0.107,455 -0.133,457 -0.28,458 -0.101,459 14,460 0.467,461 0.788,462 0.026,463 40,464 1.333,465 21,466 0.7,467 19,468 0.633,469 24.862,470 0.829,471 32.2,472 0.608,473 31.613,474 1.054,475 7.98,476 0.266,477 6.404,478 0.213,479 0.176,481 0.357,485 0.933,486 1.188,487 0.814,488 1.001,489 0.903,490 0.895,491 0.63,492 0.842,493 0.725,494 0.886,495 0.429,496 0.843,497 0.999,498 1.168,499 0.972,500 1.055,501 0.989,502 1.018,503 0.882,504 1.096,505 1.066,506 1.161,507 0.794,508 1.164,509 0.977,510 0.991,511 1.161,512 1.033,513 0.91,514 1.097,515 0.605,516 0.906,517 0.857,518 0.966,519 0.437,520 0.954,521 0.715,522 1.155,523 0.955,524 1.17,525 0.523,526 1.123,527 0.748,528 1.019,529 0.941,530 1.056,531 0.63,532 1.036,533 6.5,534 0.202,535 3.111,536 2.313,537 2.022,538 0.903,539 0.649,540 0.51,541 0.378,542 0.275,543 11612,544 36739,545 1.993,546 43.4,547 9,548 6,550 1,551 5,552 2,555 1.728,556 1.837,557 3.602,558 2.419,560 1,564 85.066,565 1.605,566 4.113,567 5.157,568 5.322,569 5.322,570 5.322,571 3.123,572 4.482,573 4.87,574 3.808,575 1656.61,576 8.499,577 23551.6,579 1,581 1,582 303.58,583 1.506,584 4.82,585 0.203,586 0.009,587 0.071,588 0.049,589 0.046,590 0.024,591 0.018,592 0.014,593 0.011,594 0.009,595 0.454,597 1,598 1.706,599 155.818,600 -0.131,601 0.001,602 0.001,603 0.053,604 -0.15,605 0.057,606 0.221,607 0.236,608 0.168,609 0.152,610 0.254,611 0.141,612 -0.142,613 -0.097,614 -0.079,615 -0.026,616 -0.162,617 -0.04,618 -0.021,619 -0.056,620 -0.15,621 -0.145,622 -0.042,623 -0.182,624 -0.175,625 0.039,626 -0.211,627 -0.061,628 -0.137,629 -0.12,630 0.056,631 0.047,632 0.102,633 0.053,634 0.083,635 0.085,636 -0.019,637 -0.171,638 -0.034,639 -0.129,640 -0.007,641 -0.094,642 0.104,643 -0.048,644 0.032,645 -0.065,646 0.062,647 -0.035,648 2.475,649 3.579,650 0.533,651 34.88,652 1.008,653 1.129,654 3.45,655 11.902,656 0.665,657 3.497,658 3.807,659 4.043,660 4.304,661 4.522,662 4.615,663 4.682,664 4.804,665 4.927,666 4.949,667 7.427,668 0.641,669 405.5,670 3.497,671 5.03,672 5.866,673 6.742,674 7.6,675 8.485,676 9.355,677 10.246,678 11.124,679 12.018,680 9.4,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 1,718 53,719 19,720 1,721 32,723 55,724 22,725 13,726 3,727 3,729 3,730 4,734 1,739 4,740 2,741 14,742 6,744 1,748 1,751 1,754 1,757 23,758 8,759 5,760 8,764 5,769 0.667,770 3,775 1,776 1,781 3,785 1,788 2,792 1,800 1,802 2,806 2,810 30,811 2,815 1,816 4,818 1,823 1,827 2,829 5.7,831 1,832 1,834 1,836 16.333,837 10.133,838 6.722,839 2.999,840 4.177,841 1.553,842 0.957,843 6.838,844 11.725,845 3.795,846 4.419,847 5.011,848 5.622,849 6.21,850 6.567,851 6.947,852 7.346,853 7.768,854 8.017,855 0.889,856 47,857 11.004,859 4.563,860 7.939,861 20.572,863 16.243,865 2.439,866 73.167,868 1,869 1,870 211.88,871 128.795,872 116.151,874 78.828,877 128.795,878 290.708,879 116.151,880 19.708,881 10.138,882 94.223,883 130.866,884 42.321,885 38.288,886 200.109,888 211.88,889 244.946,890 78.828,893 213.595,894 78.828,897 29.91,898 128.903,899 84.418,901 211.88,902 194.979,903 128.795,906 211.88,907 37.549,908 57.184,909 34.061,910 194.979,911 211.88,912 194.979,913 128.795,915 0.576,916 0.327,917 0.177,918 0.094,919 19,920 10,921 0.109,922 6,923 1,924 1.125,925 4.087,926 255.911,927 0.125,928 16,929 147.207,933 21.513,934 9.536,935 5.253,936 1.157,937 194.979,938 7.48,939 12.586,943 4.829,945 108.478,946 535.654,947 43.5,951 10.579,954 -0.809,956 53.443,957 59.857,958 0.28,959 0.718,960 0.9,961 0.929,962 0.929,963 0.929,964 5.032,965 1.563,966 5.855,967 5.182,968 4.489,969 5.106,970 2.482,971 6.658,972 4.423,973 6.272,974 1.526,975 7.412,976 4.186,977 4.111,978 4.997,979 2.243,980 7.564,981 4.019,982 7.598,983 1.3,984 9.068,985 3.394,986 6.071,987 7.375,988 3.668,989 10.669,990 5.954,991 8.959,992 0.85,993 10.785,994 3.197,995 6.479,996 8.068,997 4.112,998 12.415,999 6.338,1000 10.348,1001 0.606,1002 12.541,1003 1.749,1004 7.936,1005 9.947,1006 5.207,1007 15.065,1008 7.775,1009 11.757,1010 0.357,1011 14.326,1012 1.251,1013 8.726,1014 11.047,1015 5.889,1016 17.182,1017 8.542,1018 13.184,1019 -0.069,1020 16.134,1021 0.758,1022 9.984,1023 12.713,1024 6.849,1025 19.673,1026 9.781,1027 3.219,1028 -0.107,1029 17.959,1030 -0.136,1031 10.964,1032 14.025,1033 7.625,1034 21.954,1035 10.737,1036 2.915,1037 11.245,1038 19.798,1039 -0.28,1040 12.145,1041 15.6,1042 8.526,1043 24.389,1044 11.897,1045 2.512,1046 9.303,1047 21.65,1048 4.617,1049 13.215,1050 17.019,1051 9.342,1052 26.742,1053 12.944,1054 2.28,1055 7.764,1056 23.512,1057 3.958,1058 14.37,1059 18.557,1060 10.216,1061 29.159,1062 14.077,1063 2.219,1064 6.639,1065 25.382,1066 3.406,1067 15.483,1068 20.028,1069 11.051,1070 31.544,1071 15.166,1072 2.043,1073 5.914,1074 27.259,1075 3.125,1076 16.632,1077 21.553,1078 11.912,1079 33.956,1080 16.293,1081 1.976,1082 5.795,1083 29.142,1084 2.861,1085 17.766,1086 23.05,1087 12.755,1088 36.357,1089 17.403,1090 11548,1091 20644,1092 20.69,1093 35.245,1094 48.109,1095 48.754,1096 48.956,1097 46.753,1098 46.734,1099 62.942,1100 7.762,1101 132.752,1102 45.076,1103 5.45,1104 5.596,1105 6.61,1106 5.269,1107 5.219,1108 7.617,1109 3.925,1110 18.52,1111 5.143,1112 18.157,1113 1.503,1114 1.524,1115 1.53,1116 1.461,1117 1.46,1118 1.967,1119 0.243,1120 4.149,1121 1.409,1122 4.085,1123 4.121,1124 4.059,1125 3.992,1126 7.474,1127 4.002,1128 3.924,1129 3.947,1130 3.884,1131 3.85,1132 6.351,1133 3.857,1134 3.707,1135 3.747,1136 3.597,1137 3.573,1138 5.321,1139 3.569,1140 3.518,1141 3.579,1142 3.453,1143 3.349,1144 4.982,1145 3.367,1146 3.386,1147 3.406,1148 3.319,1149 3.211,1150 4.92,1151 3.231,1152 3.217,1153 3.284,1154 3.052,1155 2.977,1156 4.796,1157 2.973,1158 3.177,1159 3.265,1160 3.039,1161 2.938,1162 4.654,1163 2.949,1164 3.062,1165 3.154,1166 2.937,1167 2.852,1168 4.251,1169 2.868,1170 0.146,1171 0.112,1172 0.214,1173 0.131,1174 0.101,1175 4.658,1176 0.144,1177 3.596,1178 0.073,1179 6.838,1180 0.351,1181 4.194,1182 0.098,1183 3.219,1184 4.617,1185 2.341,1186 11.245,1187 3.143,1188 2.019,1189 1.993,1190 2.089,1191 2.137,1192 1.282,1193 2.119,1194 1.9,1195 1.878,1196 1.983,1197 1.993,1198 1.212,1199 1.992,1200 1.687,1201 1.642,1202 1.898,1203 1.858,1204 1.073,1205 1.871,1206 1.457,1207 1.405,1208 1.61,1209 1.67,1210 0.69,1211 1.66,1212 1.311,1213 1.284,1214 1.577,1215 1.549,1216 0.584,1217 1.55,1218 1.175,1219 1.094,1220 1.515,1221 1.462,1222 0.56,1223 1.47,1224 1.153,1225 1.078,1226 1.438,1227 1.413,1228 0.553,1229 1.425,1230 1.009,1231 0.934,1232 1.267,1233 1.34,1234 0.207,1235 1.341,1236 4.174,1238 5.485,1240 6.989,1242 8.597,1244 10.265,1246 3.573,1250 11.712,1251 8.694,1252 1.747,1254 5.509,1261 6.11,1262 33.993,1263 85.066,1264 218.012,1265 273.315,1266 282.07,1267 282.07,1268 282.07,1269 61.342,1270 7.548,1271 137.24,1272 137.24,1273 18,1274 12.547,1275 4.322,1276 3.644,1277 55.422,1278 129,1279 158,1280 0.204,1281 213.381,1282 371.71,1283 512.409,1284 19944,1286 21.673,1287 0.722,1288 0.563,1289 21.673,1290 16.898,1291 14.384,1292 0.45,1293 0.295,1294 9.298,1295 13.817,1296 9.01,1297 7.522,1298 14.384,1299 9.435,1300 12.963,1301 0.295,1302 0.155,1303 12.963,1304 6.827,1305 10.212,1306 0.182,1307 0.084,1308 10.212,1309 4.721,1310 8.686,1311 0.119,1312 0.044,1313 8.686,1314 3.203,1315 6.616,1316 0.073,1317 0.022,1318 6.616,1319 2.034,1320 0.325,1321 90.424,1322 0.22,1323 28.635,1324 0.549,1325 152,1326 481.181,1327 167.466,1328 469.116,1329 632.67,1330 436,1331 176,1332 459.001,1333 189.308,1334 468.955,1335 676.77,1336 438,1337 8.244}
{0 CHEMBL426584,1 1.621,2 14.909,3 2.883,4 8.314,5 125.802,6 7.716,7 0.5,8 4.167,9 4.283,10 3.753,11 3.671,12 5.348,13 3.675,14 4.683,15 4.843,16 4.107,17 4.05,18 5.839,19 4.032,20 4.898,21 5.077,22 4.197,23 4.171,24 6.05,25 4.143,26 4.993,27 5.192,28 4.093,29 4.147,30 6.226,31 4.092,32 4.963,33 5.177,34 3.922,35 4.091,36 6.038,37 4.01,38 4.887,39 5.106,40 3.828,41 4.034,42 5.899,43 3.934,44 4.888,45 5.138,46 3.82,47 3.939,48 5.928,49 3.834,50 4.717,51 4.953,52 3.734,53 3.834,54 5.72,55 3.743,56 0.097,57 0.863,58 11.213,59 4.962,60 15.968,61 6.244,62 0.438,63 1.331,64 21.542,65 8.563,66 36.378,67 10.923,68 0.455,69 1.553,70 27.833,71 10.34,72 45.638,73 13.564,74 0.703,75 1.609,76 32.556,77 10.967,78 108.821,79 14.35,80 0.727,81 1.502,82 32.926,83 10.895,84 86.886,85 14.288,86 0.484,87 1.43,88 29.667,89 10.512,90 70.404,91 14.195,92 0.78,93 1.34,94 32.028,95 10.601,96 85.862,97 15.056,98 0.521,99 1.186,100 25.801,101 8.857,102 47.398,103 12.473,104 27,105 50,106 0.263,107 0.62,108 0.786,109 0.858,110 0.858,111 0.858,112 3.531,113 0.883,114 -3.75,115 -3.71,116 -3.53,119 41.4,121 3,124 1,125 2,139 7,140 4,141 2,142 1,144 1,147 1,153 2,157 2,158 2,159 2,166 12,169 3,170 10,172 3,173 3,175 1,178 11,180 1,181 1,182 14,187 1,189 7,191 1,192 1,193 13,195 1,196 1,197 1,198 2,200 2,201 4,204 2,205 1,206 1,207 11,212 3,215 7,218 3,221 4,226 2,229 7,231 2,233 4,234 3,236 1,237 1,239 2,241 4,243 2,245 3,246 4,248 1,249 1,251 1,254 2,256 1,260 5,262 1,263 1,268 3,273 2012,274 22.353,275 22.353,276 22.353,277 22.353,278 22.353,279 19.914,280 28.255,281 13.163,282 22.899,283 17.672,284 17.672,285 17.672,286 17.672,287 17.672,288 13.862,289 34.275,290 6.142,291 18.425,292 4.237,293 2.03,294 1.007,295 0.565,296 0.565,297 0.565,298 4.226,301 1,302 1,303 1065,304 3.536,306 84.998,307 355.115,310 163.52,314 2.468,315 41.209,318 1,319 0.83,320 0.83,321 0.8,322 0.5,323 1,324 1,325 0.85,326 72.5,327 492,328 4.585,329 3.952,330 6.964,331 4.291,332 3.301,333 4.146,334 1.349,335 11.689,336 3.262,337 4.307,338 3.256,339 6.187,340 3.912,341 2.949,342 3.954,343 0.86,344 9.231,345 2.847,346 4.197,347 3.244,348 6.073,349 3.765,350 2.82,351 3.84,352 0.86,353 8.783,354 2.662,355 3.595,356 3.063,357 5.685,358 3.232,359 2.282,360 2.924,361 0.8,362 7.258,363 2.166,364 3.54,365 2.55,366 5.491,367 3.206,368 2.242,369 2.812,370 0.68,371 6.647,372 2.151,373 3.441,374 2.435,375 5.249,376 3.066,377 2.026,378 2.664,380 6.426,381 2.093,382 3.365,383 2.293,384 4.916,385 2.944,386 2.007,387 2.65,389 5.639,390 1.872,391 2.952,392 2.152,393 4.41,394 2.697,395 1.754,396 2.079,398 4.314,399 1.659,400 2.844,401 1.948,402 4.125,403 2.496,404 1.539,405 1.956,407 3.648,408 1.456,409 2.823,410 1.617,411 3.822,412 2.356,413 1.418,414 1.949,415 3.393,416 1.334,417 2.639,418 1.535,419 3.633,420 2.331,421 1.35,422 1.646,423 2.968,424 1.313,425 2.48,426 1.35,427 3.618,428 1.942,429 0.918,430 1.387,431 2.21,432 0.934,433 2.153,434 1.261,435 3.353,436 1.878,437 0.914,438 1.055,439 2.06,440 0.87,441 1.803,442 1.022,443 3.097,444 1.486,445 0.547,446 0.642,448 1.172,449 0.505,450 1.61,451 0.936,452 2.937,453 1.318,454 0.401,455 0.468,457 0.8,458 0.366,459 15.333,460 0.465,461 0.784,462 0.024,463 44.75,464 1.356,465 23,466 0.697,467 21.75,468 0.659,469 26.181,470 0.793,471 35.667,472 0.615,473 35.793,474 1.085,475 8.975,476 0.272,477 6.999,478 0.212,479 0.128,481 0.352,485 0.836,486 1.287,487 0.767,488 1.082,489 0.72,490 0.927,491 0.857,492 0.918,493 0.815,494 0.938,495 0.593,496 0.888,497 0.989,498 1.153,499 0.901,500 1.103,501 0.864,502 1.001,503 1.245,504 1.018,505 1.144,506 1.093,507 1.214,508 1.098,509 1.395,510 0.922,511 1.22,512 0.984,513 1.328,514 1.064,515 1.082,516 1.119,517 1.171,518 1.193,519 1.067,520 1.206,521 0.738,522 0.921,523 0.88,524 0.975,525 0.657,526 0.971,527 0.762,528 1.02,529 0.915,530 1.061,531 0.476,532 1.036,533 6,534 0.234,535 4,536 3.236,537 1.769,538 0.841,539 0.597,540 0.405,541 0.276,542 0.307,543 18131,544 52648,545 2.061,546 43.1,547 2,548 14,550 1,551 4,553 4,555 1.745,556 1.922,557 3.802,558 1.573,560 1,564 94.018,565 1.621,566 3.828,567 4.851,568 5.293,569 5.293,570 5.293,571 3.206,572 4.681,573 5.02,574 4.044,575 2135.34,576 8.748,577 34493.8,579 1,582 339.763,583 1.434,584 4.971,585 0.167,586 0.007,587 0.08,588 0.061,589 0.039,590 0.022,591 0.018,592 0.012,593 0.009,594 0.01,595 0.425,596 0.17,597 1,598 0.718,599 180.152,600 -0.088,601 -0.084,602 0.033,603 -0.021,604 -0.095,605 0.028,606 0.077,607 0.179,608 0.078,609 0.088,610 0.067,611 0.075,612 -0.013,613 -0.12,614 0.029,615 -0.085,616 0.003,617 -0.025,618 -0.103,619 -0.027,620 -0.16,621 -0.115,622 0.014,623 -0.141,624 -0.228,625 0.018,626 -0.213,627 0.002,628 -0.2,629 -0.088,630 -0.144,631 -0.167,632 -0.198,633 -0.186,634 -0.164,635 -0.202,636 0.245,637 -0.043,638 0.154,639 0.018,640 0.133,641 0.056,642 0.15,643 -0.091,644 0.083,645 -0.063,646 0.089,647 -0.021,648 1.902,649 5.412,650 0.636,651 38.635,652 1.011,653 1.129,654 2.52,655 6.352,656 0.663,657 3.611,658 3.932,659 4.22,660 4.466,661 4.644,662 4.605,663 4.654,664 4.71,665 4.7,666 4.718,667 8.818,668 0.642,669 447.54,670 3.611,671 5.153,672 6.009,673 6.887,674 7.758,675 8.641,676 9.519,677 10.404,678 11.286,679 12.173,680 8.6,684 2,687 1,690 2,695 8,696 2,700 8,702 18,711 2,716 2,718 58,719 20,720 2,721 36,723 61,724 24,725 16,726 5,727 7,728 2,729 4,730 5,739 3,741 18,742 6,744 2,748 2,751 2,754 1,757 25,758 9,759 4,760 9,764 5,767 1,769 0.75,770 4,776 1,780 1,781 3,784 1,802 3,806 1,810 33,811 2,816 5,818 2,821 1,829 6.9,832 2,834 2,836 17.167,837 10.6,838 7.361,839 3.34,840 3.294,841 1.418,842 0.985,843 6.992,844 11.173,845 3.871,846 4.449,847 5.012,848 5.534,849 6.017,850 6.07,851 6.302,852 6.554,853 6.789,854 6.928,855 0.9,856 53,857 12.208,859 5.218,860 7.899,861 22.879,863 18.524,865 2.399,866 79.167,869 1,870 247.193,871 137.431,872 102.49,874 72.29,877 137.431,878 319.483,879 102.49,880 10.883,881 17.426,882 132.128,883 105.041,884 54.276,885 4.227,886 235.422,888 247.193,889 239.921,890 72.29,893 200.109,894 119.374,897 28.373,898 177.978,899 33.571,901 247.193,902 174.779,903 137.431,906 247.193,907 51.167,908 89.389,910 171.655,911 247.193,912 174.779,913 137.431,915 0.579,916 0.351,917 0.193,918 0.102,919 23,920 11,921 0.148,922 9,923 1,924 1.095,925 4.506,926 290.584,927 0.095,928 21,929 156.465,933 22.867,934 10.09,935 5.038,937 174.779,938 14.148,939 7.97,943 4.372,945 65.794,946 559.404,947 47,951 24.824,954 -0.471,956 58.654,957 65.481,958 0.277,959 0.653,960 0.828,961 0.904,962 0.904,963 0.904,964 5.109,965 1.754,966 5.994,967 5.639,968 4.615,969 5.136,970 2.27,971 6.815,972 4.544,973 6.309,974 1.539,975 7.563,976 4.314,977 4.205,978 4.934,979 0.325,980 7.745,981 4.114,982 7.616,983 1.418,984 9.234,985 3.648,986 6.217,987 7.296,988 2.324,989 10.867,990 6.088,991 8.959,992 1.35,993 10.967,994 3.393,995 6.648,996 7.9,997 0.931,998 12.658,999 6.505,1000 10.336,1001 0.918,1002 12.739,1003 2.968,1004 8.125,1005 9.748,1006 2.551,1007 15.31,1008 7.954,1009 11.736,1010 0.914,1011 14.539,1012 2.21,1013 8.953,1014 10.731,1015 1.621,1016 17.473,1017 8.771,1018 13.156,1019 0.547,1020 16.36,1021 2.06,1022 10.224,1023 12.357,1024 2.911,1025 19.974,1026 10.023,1027 3.301,1028 0.401,1029 18.197,1030 1.172,1031 11.238,1032 13.534,1033 2.316,1034 22.3,1035 11.028,1036 2.949,1037 11.689,1038 20.048,1039 0.8,1040 12.434,1041 15.051,1042 3.359,1043 24.757,1044 12.21,1045 2.82,1046 9.231,1047 21.91,1048 4.146,1049 13.532,1050 16.328,1051 2.996,1052 27.154,1053 13.301,1054 2.282,1055 8.783,1056 23.782,1057 3.954,1058 14.703,1059 17.79,1060 3.86,1061 29.602,1062 14.462,1063 2.242,1064 7.258,1065 25.662,1066 3.84,1067 15.84,1068 19.122,1069 3.659,1070 32.03,1071 15.593,1072 2.026,1073 6.647,1074 27.55,1075 2.924,1076 17.008,1077 20.555,1078 4.393,1079 34.478,1080 16.752,1081 2.007,1082 6.426,1083 29.444,1084 2.812,1085 18.164,1086 21.917,1087 4.307,1088 36.921,1089 17.902,1090 17123,1091 29331,1092 23.868,1093 38.46,1094 53.873,1095 56.252,1096 55.787,1097 53.355,1098 53.37,1099 68.86,1100 9.098,1101 153.358,1102 51.385,1103 5.547,1104 5.952,1105 6.726,1106 5.36,1107 5.301,1108 7.146,1109 2.549,1110 18.826,1111 5.262,1112 17.685,1113 1.496,1114 1.563,1115 1.55,1116 1.482,1117 1.482,1118 1.913,1119 0.253,1120 4.26,1121 1.427,1122 4.032,1123 4.055,1124 3.993,1125 3.936,1126 7.447,1127 3.945,1128 3.971,1129 3.998,1130 3.927,1131 3.884,1132 7.408,1133 3.89,1134 3.811,1135 3.853,1136 3.773,1137 3.647,1138 5.291,1139 3.673,1140 3.66,1141 3.72,1142 3.519,1143 3.521,1144 4.98,1145 3.51,1146 3.41,1147 3.454,1148 3.315,1149 3.208,1150 4.914,1151 3.23,1152 3.286,1153 3.348,1154 3.151,1155 3.044,1156 4.687,1157 3.064,1158 3.177,1159 3.257,1160 3.015,1161 2.934,1162 4.469,1163 2.94,1164 3.065,1165 3.149,1166 2.973,1167 2.843,1168 4.457,1169 2.858,1170 0.127,1171 0.11,1172 0.193,1173 0.119,1174 0.092,1175 4.585,1176 0.115,1177 3.952,1178 0.037,1179 6.964,1180 0.325,1181 4.291,1182 0.091,1183 3.301,1184 4.146,1185 1.349,1186 11.689,1187 3.262,1188 1.933,1189 1.912,1190 2.032,1191 2.049,1192 1.282,1193 2.042,1194 1.887,1195 1.868,1196 1.986,1197 1.959,1198 1.203,1199 1.968,1200 1.739,1201 1.696,1202 1.939,1203 1.936,1204 1.085,1205 1.926,1206 1.684,1207 1.627,1208 1.808,1209 1.875,1210 0.873,1211 1.87,1212 1.354,1213 1.315,1214 1.573,1215 1.623,1216 0.78,1217 1.595,1218 1.219,1219 1.154,1220 1.551,1221 1.528,1222 0.573,1223 1.542,1224 1.124,1225 1.055,1226 1.369,1227 1.409,1228 0.385,1229 1.405,1230 1.007,1231 0.994,1232 1.249,1233 1.309,1234 0.32,1235 1.3,1236 4.29,1238 5.609,1239 2.398,1240 7.125,1241 4.949,1242 8.732,1243 7.195,1244 10.387,1246 1.578,1250 11.467,1252 2.636,1254 11.344,1257 1.298,1262 37.234,1263 94.018,1264 222.006,1265 281.357,1266 307.008,1267 307.008,1268 307.008,1269 71.57,1270 7.879,1271 135.35,1272 135.35,1273 23,1274 12.705,1275 4.392,1276 3.585,1277 54.87,1278 178,1279 159,1280 0.146,1281 229.168,1282 402.74,1283 550.93,1284 34688,1286 23.372,1287 0.708,1288 0.554,1289 23.372,1290 18.284,1291 15.974,1292 0.444,1293 0.294,1294 10.415,1295 15.262,1296 10.194,1297 8.45,1298 15.974,1299 10.594,1300 14.131,1301 0.283,1302 0.153,1303 14.131,1304 7.664,1305 12.207,1306 0.182,1307 0.081,1308 12.207,1309 5.451,1310 10.121,1311 0.118,1312 0.043,1313 10.121,1314 3.728,1315 7.964,1316 0.077,1317 0.025,1318 7.964,1319 2.527,1320 0.241,1321 100.997,1322 0.205,1323 31.547,1324 0.373,1325 172,1326 550.502,1327 191.648,1328 524.672,1329 711.24,1330 490,1331 203,1332 518.766,1333 222.899,1334 523.864,1335 767.64,1336 491,1337 5.741}
{0 CHEMBL426768,1 1.561,2 8.7,3 2.094,4 4.384,5 79.909,6 7.833,7 0.773,8 3.648,9 3.772,10 3.254,11 3.195,12 4.859,13 3.195,14 4.092,15 4.24,16 3.585,17 3.55,18 5.293,19 3.527,20 4.288,21 4.463,22 3.622,23 3.651,24 5.431,25 3.603,26 4.315,27 4.511,28 3.421,29 3.574,30 5.384,31 3.485,32 4.309,33 4.564,34 3.209,35 3.427,36 5.303,37 3.319,38 4.087,39 4.341,40 3.119,41 3.255,42 5.021,43 3.168,44 3.867,45 4.074,46 3.163,47 3.196,48 5.015,49 3.15,50 3.918,51 4.161,52 3.048,53 3.122,54 5.046,55 3.049,56 0.049,57 0.524,58 6.384,59 2.68,60 10.477,61 3.362,62 0.171,63 0.782,64 10.905,65 4.724,66 19.462,67 5.895,68 0.264,69 0.897,70 14.179,71 5.513,72 24.243,73 7.269,74 0.181,75 0.877,76 15.243,77 6.126,78 27.619,79 7.981,80 0.281,81 0.825,82 17.183,83 5.619,84 36.605,85 7.809,86 0.187,87 0.65,88 14.121,89 4.935,90 21.751,91 6.797,92 0.1,93 0.622,94 9.499,95 3.24,96 16.102,97 4.535,98 0.103,99 0.637,100 10.661,101 3.374,102 18.467,103 4.999,104 5,105 30,106 0.285,107 0.609,108 0.719,109 0.824,110 0.875,111 0.897,112 3.058,113 0.847,114 -3.85,115 -3.81,116 -3.62,119 44.1,125 1,139 7,140 3,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 11,169 1,170 1,172 3,173 3,178 14,181 2,182 2,184 1,185 1,189 12,193 3,195 1,196 1,197 1,200 2,201 6,205 1,207 5,209 1,210 1,212 1,215 2,218 1,221 5,226 2,231 2,234 6,239 4,243 4,246 6,251 5,256 5,260 2,265 4,270 4,273 450,274 13.637,275 13.637,276 13.637,277 13.637,278 13.637,279 11.522,280 12.1,281 8.129,282 13.932,283 10.859,284 10.859,285 10.859,286 10.859,287 10.859,288 7.786,289 15.316,290 3.845,291 11.349,292 3.527,293 1.754,294 1.152,295 0.574,296 0.294,297 0.176,298 3.741,300 1,301 1,302 1,303 377,304 2.236,307 155.098,311 80.836,314 1.16,315 14.739,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 43,327 174,328 4.494,329 3.199,330 6.506,331 4.03,332 3.035,333 4.43,334 1.151,335 10.197,336 3.024,337 4.228,338 3.019,339 6.058,340 3.775,341 2.846,342 3.879,344 8.702,345 2.635,346 3.532,347 2.433,348 5.203,349 3.127,350 2.178,351 2.916,353 6.263,354 2.095,355 3.434,356 2.215,357 4.956,358 2.994,359 2.051,360 2.762,362 5.787,363 1.901,364 3.118,365 1.729,366 4.216,367 2.618,368 1.618,369 2.427,371 3.867,372 1.618,373 2.853,374 1.618,375 4.127,376 2.392,377 1.483,378 1.985,380 3.715,381 1.345,382 2.769,383 1.308,384 3.6,385 2.273,386 1.275,387 1.902,389 2.849,390 1.271,391 2.416,392 1.218,393 3.416,394 1.997,395 1.032,396 1.385,398 2.36,399 0.992,400 1.93,401 0.831,402 3.125,403 1.556,404 0.641,405 0.808,407 1.48,408 0.582,409 1.316,410 0.32,411 2.56,412 0.95,413 0.024,414 0.03,415 0.056,416 0.022,417 0.931,418 -0.254,419 2.359,420 0.5,421 -0.458,422 -0.607,423 -1.096,424 -0.438,425 0.882,426 -0.314,427 2.304,428 0.392,429 -0.515,430 -0.622,431 -1.243,432 -0.467,433 0.794,434 -0.618,435 2,436 0.382,437 -0.618,438 -0.927,439 -1.478,440 -0.618,441 0.491,442 -0.769,443 2,444 0.051,445 -0.929,446 -1.251,448 -2.283,449 -0.9,450 0.153,451 -0.957,452 1.721,453 -0.208,454 -1.142,455 -1.517,457 -2.974,458 -1.063,459 9.433,460 0.472,461 0.435,462 0.022,463 30.5,464 1.525,465 17.5,466 0.875,467 13,468 0.65,469 11.034,470 0.552,471 20.567,472 0.605,473 19.653,474 0.983,475 6.204,476 0.31,477 3.533,478 0.177,479 0.085,481 0.318,485 1.059,486 1.08,487 0.786,488 0.886,489 1.288,490 0.797,491 0.92,492 0.84,493 0.823,494 0.958,495 0.629,496 0.907,497 0.902,498 0.983,499 0.977,500 1.044,501 0.739,502 1.03,503 1.101,504 1.099,505 1.169,506 1.309,507 0.891,508 1.28,509 1.22,510 0.807,511 1.135,512 0.954,513 1.155,514 1.016,515 1.186,516 0.856,517 0.796,518 0.768,519 0.759,520 0.755,521 0.975,522 1.26,523 0.964,524 0.987,525 1.133,526 0.964,527 0.83,528 1.349,529 0.998,530 1.085,531 1.03,532 1.052,533 3.5,534 0.037,535 2.444,536 1.125,537 0.849,538 0.382,539 0.264,540 0.215,541 0.159,542 0.108,543 3914,544 10788,545 2.107,546 41.2,548 9,550 1,551 4,555 1.616,556 2,557 3.1,558 1.928,560 1,562 1,564 53.067,565 1.561,566 3.333,567 3.936,568 4.514,569 4.793,570 4.911,571 2.446,572 3.684,573 4.299,574 3.212,575 610.352,576 7.331,577 6267.64,578 1,579 1,581 1,582 172.974,583 1.295,584 4.266,585 0.159,586 0.009,587 0.081,588 0.038,589 0.037,590 0.021,591 0.015,592 0.011,593 0.01,594 0.012,595 0.393,596 0.5,597 1,598 0.548,599 88.652,600 -0.158,601 0.058,602 0.011,603 0.082,604 -0.318,605 0.084,606 0.135,607 0.217,608 0.036,609 0.031,610 0.165,611 0.01,612 0.176,613 0.032,614 -0.072,615 -0.063,616 0.097,617 -0.097,618 -0.028,619 -0.161,620 -0.228,621 -0.309,623 -0.308,624 -0.086,625 0.107,626 -0.098,627 0.014,628 -0.129,629 -0.026,630 -0.063,631 -0.014,632 0.26,633 0.256,634 0.086,635 0.289,636 -0.149,637 -0.202,638 -0.049,639 -0.053,640 -0.11,641 -0.04,642 -0.079,643 -0.326,644 -0.031,645 -0.166,646 0.002,647 -0.103,648 1.528,649 2.18,650 0.8,651 12.7,652 1.004,653 1.126,654 2.623,655 6.881,656 0.685,657 3.135,658 3.434,659 3.689,660 3.912,661 4.111,662 4.043,663 4.06,664 4.159,665 4.248,666 4.174,667 5.172,668 0.66,669 266.33,670 3.135,671 4.654,672 5.493,673 6.354,674 7.207,675 8.071,676 8.928,677 9.793,678 10.652,679 11.517,680 11.8,684 2,690 2,694 2,695 8,696 2,700 4,702 17,711 2,716 1,718 34,719 17,720 2,721 22,723 36,724 15,725 14,726 3,727 7,729 3,730 4,741 14,742 1,753 1,754 1,757 14,758 5,759 4,760 5,764 4,769 0.667,770 1,776 1,781 3,785 1,802 2,810 20,811 2,816 1,818 1,829 2.9,834 1,836 10,837 5.9,838 4.417,839 1.793,840 3.39,841 1.507,842 1.025,843 3.396,844 10.076,845 3.45,846 4.094,847 4.707,848 5.286,849 5.839,850 5.967,851 6.252,852 6.627,853 7.03,854 7.002,855 0.833,856 30,857 7.306,859 3.049,860 7.75,861 13.81,863 11.046,865 2.25,866 45,870 117.711,871 97.775,872 99.365,874 11,877 97.775,878 128.711,879 99.365,881 4.592,882 132.128,883 45.342,884 33.622,885 4.227,886 105.94,888 117.711,889 197.141,890 11,893 117.711,894 11,897 15.539,898 148.031,899 33.571,901 117.711,902 110.365,903 97.775,906 117.711,907 22.394,908 75.381,910 110.365,911 117.711,912 110.365,913 97.775,915 0.577,916 0.338,917 0.182,918 0.097,919 15,920 6,921 0.083,922 3,923 1,924 1.125,925 3.3,926 148.133,927 0.125,928 16,929 84.439,933 12.696,934 5.35,935 2.681,936 2.333,937 110.365,938 15.741,939 7.744,943 1.907,945 65.794,946 325.852,947 30.5,956 34.153,957 38.279,958 0.307,959 0.655,960 0.774,961 0.887,962 0.942,963 0.965,964 4.647,965 1.032,966 5.46,967 2.849,968 4.111,969 4.779,970 1.294,971 6.236,972 4.029,973 5.862,974 0.641,975 6.997,976 2.36,977 3.611,978 4.559,980 7.081,981 3.498,982 7.167,983 0.024,984 8.636,985 1.48,986 5.666,987 7.051,988 1.506,989 10.165,990 5.518,991 8.512,992 -0.458,993 10.337,994 0.056,995 5.994,996 7.676,998 11.862,999 5.824,1000 9.888,1001 -0.515,1002 12.078,1003 -1.096,1004 7.506,1005 9.617,1006 1.731,1007 14.447,1008 7.311,1009 11.288,1010 -0.618,1011 13.847,1012 -1.243,1013 8.234,1014 10.664,1016 16.492,1017 8.027,1018 12.707,1019 -0.929,1020 15.635,1021 -1.478,1022 9.509,1023 12.354,1024 1.968,1025 18.902,1026 9.284,1027 3.035,1028 -1.142,1029 17.438,1030 -2.283,1031 10.43,1032 13.616,1034 21.094,1035 10.198,1036 2.846,1037 10.197,1038 19.253,1039 -2.974,1040 11.601,1041 15.189,1042 2.214,1043 23.439,1044 11.356,1045 2.178,1046 8.702,1047 21.076,1048 4.43,1049 12.614,1050 16.559,1052 25.695,1053 12.366,1054 2.051,1055 6.263,1056 22.906,1057 3.879,1058 13.739,1059 18.078,1060 2.468,1061 28.018,1062 13.484,1063 1.618,1064 5.787,1065 24.742,1066 2.916,1067 14.795,1068 19.502,1070 30.303,1071 14.538,1072 1.483,1073 3.867,1074 26.582,1075 2.762,1076 15.902,1077 20.997,1078 2.727,1079 32.618,1080 15.641,1081 1.275,1082 3.715,1083 28.426,1084 2.427,1085 16.978,1086 22.448,1088 34.919,1089 16.717,1090 3785,1091 6388,1092 14.909,1093 23.284,1094 32.595,1095 32.872,1096 33.321,1097 32.345,1098 32.367,1099 45.047,1100 2.302,1101 90.554,1102 30.969,1103 5.325,1104 5.199,1105 6.195,1106 5.1,1107 5.035,1108 7.43,1109 2.302,1110 16.981,1111 5.024,1112 7.75,1113 1.482,1114 1.494,1115 1.515,1116 1.47,1117 1.471,1118 2.048,1119 0.105,1120 4.116,1121 1.408,1122 4.091,1123 4.11,1124 4.044,1125 4.051,1126 5.305,1127 4.047,1128 3.85,1129 3.902,1130 3.82,1131 3.649,1132 4.986,1133 3.687,1134 3.493,1135 3.536,1136 3.392,1137 3.407,1138 4.901,1139 3.397,1140 3.248,1141 3.302,1142 3.138,1143 3.09,1144 4.592,1145 3.088,1146 3.073,1147 3.185,1148 2.946,1149 2.793,1150 4.343,1151 2.827,1152 2.917,1153 3.014,1154 2.779,1155 2.636,1156 4.202,1157 2.65,1158 2.786,1159 2.875,1160 2.598,1161 2.573,1162 3.787,1163 2.572,1164 2.661,1165 2.719,1166 2.533,1167 2.548,1168 3.737,1169 2.543,1170 0.204,1171 0.145,1172 0.296,1173 0.183,1174 0.138,1175 4.494,1176 0.201,1177 3.199,1178 0.052,1179 6.506,1180 0.464,1181 4.03,1182 0.137,1183 3.035,1184 4.43,1185 1.151,1186 10.197,1187 3.024,1188 2.079,1189 2.061,1190 2.163,1191 2.134,1192 1.318,1193 2.144,1194 1.735,1195 1.692,1196 1.808,1197 1.964,1198 0.818,1199 1.922,1200 1.503,1201 1.462,1202 1.683,1203 1.628,1204 0.707,1205 1.648,1206 1.214,1207 1.166,1208 1.448,1209 1.44,1210 0.565,1211 1.439,1212 0.979,1213 0.888,1214 1.263,1215 1.346,1216 0.228,1217 1.339,1218 0.847,1219 0.753,1220 1.159,1221 1.168,1222 0.059,1223 1.173,1224 0.77,1225 0.668,1226 1.111,1227 1.033,1229 1.068,1230 0.685,1231 0.631,1232 0.948,1233 0.837,1235 0.878,1236 3.807,1238 5.106,1240 6.616,1242 8.223,1244 9.875,1250 11.193,1252 0.402,1254 5.68,1262 22.434,1263 53.067,1264 113.322,1265 133.812,1266 153.464,1267 162.974,1268 166.974,1269 22.456,1270 6.686,1271 87.05,1272 87.05,1273 18,1274 12.065,1275 4.17,1276 3.248,1277 30.029,1278 63,1279 58,1280 0.239,1281 140.23,1282 229.95,1283 333.92,1284 6748,1286 13.949,1287 0.697,1288 0.539,1289 13.949,1290 10.783,1291 9.737,1292 0.443,1293 0.282,1294 6.129,1295 9.406,1296 6.003,1297 4.997,1298 9.737,1299 6.213,1300 8.632,1301 0.288,1302 0.147,1303 8.632,1304 4.405,1305 7.241,1306 0.186,1307 0.079,1308 7.241,1309 3.065,1310 6.015,1311 0.123,1312 0.043,1313 6.015,1314 2.083,1315 4.771,1316 0.08,1317 0.023,1318 4.771,1319 1.369,1320 0.37,1321 60.771,1322 0.259,1323 19.908,1324 0.661,1325 104,1326 297.65,1327 113.593,1328 294.304,1329 408.9,1330 276,1331 121,1332 308.426,1333 130.482,1334 314.945,1335 457.48,1336 296,1337 5.58}
{0 CHEMBL427605,1 1.841,2 8.524,3 4.402,4 19.38,5 90.755,6 10.879,7 0.739,8 3.574,9 3.673,10 3.501,11 3.287,12 4.83,13 3.238,14 3.993,15 4.1,16 3.95,17 3.689,18 5.286,19 3.605,20 4.213,21 4.34,22 4.152,23 3.834,24 5.452,25 3.711,26 4.14,27 4.271,28 4.017,29 3.705,30 5.406,31 3.573,32 4.111,33 4.288,34 3.671,35 3.57,36 5.273,37 3.444,38 4.091,39 4.31,40 3.537,41 3.464,42 5.18,43 3.357,44 4,45 4.202,46 3.518,47 3.37,48 5.157,49 3.249,50 3.789,51 4,52 3.521,53 3.088,54 5.093,55 2.975,56 0.091,57 0.467,58 2.301,59 2.13,60 11.746,61 2.056,62 0.162,63 0.713,64 4.545,65 3.831,66 15.648,67 4.384,68 0.295,69 0.862,70 18.477,71 6.059,72 26.47,73 5.45,74 0.242,75 0.836,76 17.332,77 5.745,78 23.171,79 5.506,80 0.249,81 0.803,82 14.925,83 5.242,84 27.079,85 4.583,86 0.196,87 0.722,88 11.755,89 5.253,90 21.078,91 6.522,92 0.227,93 0.646,94 13.242,95 4.926,96 23.729,97 5.161,98 0.288,99 0.447,100 13.531,101 4.006,102 29.91,103 4.495,104 17,105 33,106 0.342,107 0.628,108 0.745,109 0.874,110 0.898,111 0.898,112 3.104,113 0.986,114 -5.55,115 -5.42,116 -5.06,119 45.2,139 6,140 1,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 3,172 3,173 3,175 1,178 10,180 1,182 1,189 8,193 5,195 1,196 1,197 1,198 5,200 2,201 7,204 5,205 1,207 1,212 2,215 5,218 2,221 4,226 4,229 5,231 4,234 2,239 1,241 4,243 1,246 2,251 3,254 2,256 3,260 2,265 2,268 1,270 2,273 538,274 13.878,275 13.878,276 13.878,277 13.878,278 13.878,279 11.693,280 11.985,281 8.02,282 14.466,283 11.339,284 11.339,285 11.339,286 11.339,287 11.339,288 8.137,289 12.166,290 3.81,291 12.48,292 3.114,293 1.581,294 0.952,295 0.258,296 0.129,297 0.129,298 3.781,299 2,301 1,302 1,303 382,304 2.236,307 157.683,311 83.473,314 1.166,315 19.112,318 0.75,319 1,320 1,321 0.4,323 1,324 1,325 0.74,326 44.667,327 179,328 4.619,329 4.574,330 6.772,331 4.129,332 3.173,333 4.575,334 2.95,335 11.086,336 3.034,337 4.214,338 3.38,339 5.955,340 3.713,341 2.826,342 3.871,344 8.357,345 2.456,346 3.75,347 3.184,348 5.452,349 3.277,350 2.399,351 3.196,353 7.092,354 2.105,355 3.491,356 2.775,357 5.113,358 3.012,359 2.117,360 2.88,362 6.131,363 1.907,364 3.425,365 2.154,366 5.059,367 2.946,368 2.004,369 2.769,371 5.814,372 1.781,373 3.085,374 2.13,375 4.7,376 2.624,377 1.686,378 2.314,380 4.813,381 1.56,382 2.82,383 2.078,384 4.041,385 2.306,386 1.414,387 1.948,389 3.523,390 1.198,391 2.647,392 1.302,393 3.681,394 2.168,395 1.2,396 1.709,398 2.749,399 1.153,400 1.583,401 1.064,402 3.091,403 1.127,404 0.326,405 0.393,407 0.789,408 0.231,409 1.285,410 0.665,411 2.723,412 0.828,413 -0.067,414 -0.082,415 -0.173,416 -0.05,417 1.205,418 0.372,419 2.521,420 0.705,421 -0.137,422 -0.185,423 -0.346,424 -0.12,425 0.888,426 -0.033,427 2.377,428 0.426,429 -0.467,430 -0.589,431 -1.188,432 -0.39,433 0.728,434 -0.228,435 2.34,436 0.255,437 -0.629,438 -0.788,439 -1.593,440 -0.482,441 0.415,442 -0.309,443 2.096,444 0.045,445 -0.883,446 -1.151,448 -2.295,449 -0.718,450 0.333,451 -0.775,452 1.689,453 -0.108,454 -1,455 -1.312,457 -2.583,458 -0.881,459 10.862,460 0.517,461 0.63,462 0.03,463 31,464 1.476,465 17.5,466 0.833,467 13.5,468 0.643,469 14.724,470 0.701,471 20.938,472 0.675,473 19.897,474 0.947,475 5.939,476 0.283,477 4.103,478 0.195,479 0.205,481 0.368,485 0.874,486 0.891,487 0.563,488 0.557,489 1.116,490 0.579,491 0.505,492 0.775,493 0.63,494 0.715,495 0.45,496 0.729,497 1.073,498 1.027,499 1.098,500 1.063,501 0.915,502 0.912,503 0.815,504 1.314,505 1.063,506 1.376,507 0.777,508 1.179,509 1.042,510 1.062,511 0.893,512 1.081,513 1.256,514 1.158,515 0.582,516 1.033,517 0.489,518 0.777,519 0.643,520 0.922,521 1.138,522 1.07,523 0.967,524 0.959,525 1.126,526 1.042,527 1.138,528 0.94,529 1.079,530 0.859,531 1.044,532 0.926,533 5,534 0.041,535 2.444,536 2,537 1.351,538 0.639,539 0.383,540 0.358,541 0.246,542 0.091,543 4063,544 15789,545 2.045,546 32.3,548 6,551 4,555 1.634,556 1.881,557 3.059,558 1.968,560 1,564 57.058,565 1.841,566 3.373,567 4.002,568 4.696,569 4.825,570 4.825,571 2.458,572 4.202,573 4.367,574 3.169,575 665.411,576 7.49,577 6890.62,579 1,581 1,582 153.58,583 1.51,584 4.305,585 0.217,586 0.014,587 0.074,588 0.059,589 0.047,590 0.028,591 0.017,592 0.019,593 0.016,594 0.011,595 0.502,596 0.17,597 0.88,598 0.665,599 93.564,600 -0.205,601 0.174,602 -0.017,603 0.18,604 -0.353,605 0.133,606 0.197,607 0.245,608 0.067,609 0.136,610 0.206,611 0.073,612 -0.141,613 0.018,614 -0.056,615 0.016,616 -0.083,617 -0.006,618 0.037,619 -0.276,620 -0.067,621 -0.279,622 0.095,623 -0.256,624 -0.27,625 0.003,626 -0.145,627 -0.124,628 -0.363,629 -0.239,630 0.111,631 -0.15,632 0.199,633 0.102,634 0.128,635 0.151,636 -0.172,637 -0.13,638 -0.045,639 -0.015,640 -0.164,641 -0.011,642 0.204,643 -0.079,644 0.149,645 0.088,646 0.232,647 0.171,648 1.503,649 1.974,650 0.762,651 13.125,652 1.021,653 1.112,654 4.32,655 18.664,656 0.788,657 3.178,658 3.526,659 3.784,660 4.06,661 4.277,662 4.317,663 4.317,664 4.466,665 4.511,666 4.466,667 5.001,668 0.743,669 337.25,670 3.178,671 4.727,672 5.58,673 6.469,674 7.338,675 8.231,676 9.104,677 10,678 10.876,679 11.772,680 12.9,684 2,690 2,694 2,695 6,696 2,700 6,702 17,711 2,717 2,718 31,719 17,720 2,721 23,723 33,724 14,725 14,726 6,727 6,729 3,730 4,731 2,741 14,754 1,757 10,758 4,759 4,760 7,761 3,764 4,769 0.667,776 1,781 3,785 1,802 2,803 1,804 1,807 2,810 21,811 2,819 1,828 2,836 11.167,837 5.519,838 4.528,839 1.605,840 3.415,841 1.498,842 1.034,843 4.018,844 10.271,845 3.481,846 4.174,847 4.796,848 5.426,849 6.005,850 6.282,851 6.593,852 7.058,853 7.448,854 7.609,855 0.833,856 34,857 7.657,859 3.26,860 7.852,861 14.319,863 11.658,865 2.352,866 49.389,870 70.627,871 108.124,872 99.365,873 78.297,876 32.22,877 75.904,878 148.924,879 99.365,882 122.652,883 33.571,884 14.82,885 4.227,886 102.846,887 78.297,888 70.627,889 175.27,891 110.517,893 70.627,897 4.043,898 137.655,899 111.868,900 32.22,901 70.627,902 99.365,903 186.421,906 70.627,907 51.266,908 56.857,910 177.663,911 70.627,912 99.365,913 186.421,915 0.593,916 0.346,917 0.187,918 0.101,919 17,920 8,921 0.061,922 2,923 1,924 1.125,925 3.252,926 164.437,927 0.125,928 16,929 92.239,930 1,933 14.569,934 5.792,935 2.975,936 1.493,937 99.365,938 11.158,939 8.216,943 3.443,945 65.794,946 356.413,947 31.5,956 31.665,957 34.462,958 0.372,959 0.681,960 0.808,961 0.948,962 0.974,963 0.974,964 4.712,965 1.2,966 5.587,967 3.523,968 4.205,969 4.86,970 2.913,971 6.412,972 4.02,973 5.962,974 0.326,975 7.159,976 2.749,977 3.892,978 4.808,980 7.326,981 3.551,982 7.294,983 -0.067,984 8.826,985 0.789,986 5.814,987 7.174,988 5.027,989 10.435,990 5.484,991 8.66,992 -0.137,993 10.549,994 -0.173,995 6.256,996 7.899,998 12.178,999 5.79,1000 10.054,1001 -0.467,1002 12.308,1003 -0.346,1004 7.7,1005 9.777,1006 7.185,1007 14.827,1008 7.249,1009 11.47,1010 -0.629,1011 14.094,1012 -1.188,1013 8.506,1014 10.895,1016 16.947,1017 7.958,1018 12.903,1019 -0.883,1020 15.899,1021 -1.593,1022 9.758,1023 12.561,1024 9.348,1025 19.433,1026 9.21,1027 3.173,1028 -1,1029 17.722,1030 -2.295,1031 10.74,1032 13.881,1034 21.72,1035 10.125,1036 2.826,1037 11.086,1038 19.559,1039 -2.583,1040 11.916,1041 15.454,1042 11.511,1043 24.149,1044 11.287,1045 2.399,1046 8.357,1047 21.408,1048 4.575,1049 12.98,1050 16.873,1052 26.504,1053 12.303,1054 2.117,1055 7.092,1056 23.266,1057 3.871,1058 14.129,1059 18.409,1060 13.675,1061 28.915,1062 13.429,1063 2.004,1064 6.131,1065 25.133,1066 3.196,1067 15.233,1068 19.876,1070 31.298,1071 14.493,1072 1.686,1073 5.814,1074 27.007,1075 2.88,1076 16.373,1077 21.397,1078 15.838,1079 33.704,1080 15.605,1081 1.414,1082 4.813,1083 28.887,1084 2.769,1085 17.496,1086 22.888,1088 36.1,1089 16.692,1090 4007,1091 8020,1092 15.027,1093 24.432,1094 34.617,1095 38.074,1096 36.072,1097 34.485,1098 34.291,1099 47.31,1100 5.9,1101 100.71,1102 30.85,1103 5.381,1104 6.574,1105 6.298,1106 5.258,1107 5.173,1108 7.575,1109 5.9,1110 18.005,1111 5.034,1112 11.185,1113 1.505,1114 1.655,1115 1.568,1116 1.499,1117 1.491,1118 2.057,1119 0.257,1120 4.379,1121 1.341,1122 4.064,1123 4.093,1124 4.201,1125 4.013,1126 5.306,1127 3.999,1128 3.872,1129 3.884,1130 4.035,1131 3.836,1132 5.038,1133 3.823,1134 3.457,1135 3.524,1136 3.648,1137 3.275,1138 4.981,1139 3.291,1140 3.14,1141 3.235,1142 3.399,1143 3.075,1144 4.688,1145 3.007,1146 2.949,1147 2.976,1148 3.328,1149 2.81,1150 4.49,1151 2.804,1152 2.877,1153 2.921,1154 3.036,1155 2.779,1156 4.248,1157 2.757,1158 2.776,1159 2.855,1160 2.853,1161 2.599,1162 4.145,1163 2.601,1164 2.627,1165 2.708,1166 2.618,1167 2.399,1168 3.787,1169 2.395,1170 0.201,1171 0.199,1172 0.294,1173 0.18,1174 0.138,1175 4.619,1176 0.199,1177 4.574,1178 0.128,1179 6.772,1180 0.482,1181 4.129,1182 0.132,1183 3.173,1184 4.575,1185 2.95,1186 11.086,1187 3.034,1188 2.009,1189 1.99,1190 2.045,1191 2.106,1192 1.196,1193 2.095,1194 1.847,1195 1.835,1196 1.887,1197 1.895,1198 1.037,1199 1.917,1200 1.382,1201 1.321,1202 1.529,1203 1.612,1204 0.426,1205 1.602,1206 1.062,1207 1.022,1208 1.279,1209 1.383,1210 0.254,1211 1.366,1212 0.881,1213 0.826,1214 1.103,1215 1.043,1216 0.163,1217 1.079,1218 0.863,1219 0.823,1220 1.044,1221 1.016,1222 0.004,1223 1.048,1224 0.737,1225 0.672,1226 0.934,1227 0.939,1229 0.98,1230 0.584,1231 0.485,1232 0.793,1233 0.802,1235 0.838,1236 3.85,1238 5.187,1240 6.725,1242 8.361,1244 10.046,1247 11.965,1250 11.597,1255 1.516,1262 23.035,1263 57.058,1264 104.561,1265 124.07,1266 145.58,1267 149.58,1268 149.58,1269 28.899,1270 6.855,1271 77.82,1272 103.12,1273 18,1274 12.301,1275 4.17,1276 3.248,1277 32.108,1278 62,1279 62,1280 0.257,1281 154.438,1282 252.79,1283 368.588,1284 7818,1285 6.5,1286 14.983,1287 0.713,1288 0.619,1289 16.336,1290 13.006,1291 10.042,1292 0.437,1293 0.329,1294 6.072,1295 8.8,1296 5.803,1297 4.779,1298 11.027,1299 7.562,1300 9.452,1301 0.286,1302 0.189,1303 10.862,1304 6.225,1305 7.718,1306 0.179,1307 0.108,1308 9.374,1309 4.638,1310 6.597,1311 0.116,1312 0.059,1313 7.974,1314 3.338,1315 5.138,1316 0.072,1317 0.034,1318 6.498,1319 2.391,1320 0.392,1321 72.077,1322 0.258,1323 20.462,1324 0.74,1325 112,1326 333.182,1327 175.045,1328 414.771,1329 550.98,1330 384,1331 132,1332 350.792,1333 186.605,1334 393.833,1335 578.3,1336 371,1337 6.7}
{0 CHEMBL430821,1 1.642,2 13.371,3 3.211,4 10.312,5 131.307,6 8.096,7 0.59,8 4.189,9 4.305,10 3.818,11 3.712,12 5.404,13 3.724,14 4.676,15 4.826,16 4.192,17 4.091,18 5.935,19 4.085,20 4.952,21 5.136,22 4.303,23 4.27,24 6.084,25 4.247,26 4.994,27 5.188,28 4.25,29 4.309,30 6.102,31 4.255,32 5.053,33 5.255,34 4.212,35 4.353,36 6.144,37 4.269,38 5.034,39 5.269,40 4.147,41 4.283,42 6.028,43 4.197,44 4.948,45 5.171,46 4.138,47 4.202,48 5.999,49 4.142,50 4.865,51 5.066,52 4.113,53 4.116,54 6.009,55 4.079,56 0.127,57 0.915,58 10.293,59 4.62,60 19.616,61 5.558,62 0.4,63 1.431,64 18.811,65 7.908,66 53.466,67 9.925,68 0.589,69 1.796,70 27.724,71 10.038,72 64.55,73 12.709,74 0.575,75 1.842,76 29.069,77 11.245,78 63.224,79 14.469,80 0.679,81 1.893,82 31.55,83 12.479,84 75.692,85 16.693,86 0.501,87 1.841,88 32.975,89 12.26,90 54.71,91 17.008,92 0.419,93 1.687,94 29.796,95 10.832,96 45.323,97 14.857,98 0.506,99 1.551,100 26.65,101 9.483,102 57.858,103 12.348,104 22,105 55,106 0.263,107 0.66,108 0.807,109 0.878,110 0.9,111 0.906,112 3.589,113 0.851,114 -4.14,115 -4.09,116 -3.86,119 43.1,121 2,125 2,134 2,139 7,140 2,141 3,142 1,143 2,144 1,146 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 10,167 1,169 2,170 8,172 3,173 4,175 1,178 10,179 1,181 4,182 10,184 1,185 1,187 1,189 10,192 2,193 2,194 1,195 3,196 3,197 1,200 2,201 12,205 1,206 2,207 5,209 1,210 2,215 14,220 2,221 11,223 1,224 1,229 8,230 2,234 12,239 2,241 3,242 2,245 1,246 14,248 1,249 1,251 6,254 2,255 1,256 4,259 1,260 13,261 1,265 7,268 3,269 1,270 6,273 2539,274 23.739,275 23.739,276 23.739,277 23.739,278 23.739,279 20.664,280 28.247,281 14.06,282 24.259,283 19.307,284 19.307,285 19.307,286 19.307,287 19.307,288 14.588,289 38.279,290 6.749,291 20.196,292 4.216,293 1.739,294 0.822,295 0.379,296 0.241,297 0.207,298 4.299,302 1,303 1019,304 3.674,307 303.781,308 83.619,311 132.252,312 271.248,314 2.196,315 36.136,318 1,319 0.67,320 1,321 0.6,323 0.83,324 0.5,325 0.66,326 76.5,327 468,328 4.549,329 3.596,330 6.81,331 4.172,332 3.212,333 4.491,334 2.341,335 11.279,336 3.085,337 4.489,338 3.418,339 6.501,340 4.014,341 3.07,342 4.107,343 0.916,344 10.172,345 2.894,346 4.111,347 3.117,348 6.099,349 3.699,350 2.718,351 3.74,352 0.86,353 8.853,354 2.669,355 3.787,356 2.913,357 5.486,358 3.395,359 2.442,360 3.241,361 0.172,362 7.264,363 2.325,364 3.594,365 2.626,366 5.276,367 3.252,368 2.288,369 2.913,371 6.72,372 2.218,373 3.542,374 2.529,375 5.075,376 3.18,377 2.208,378 2.811,380 5.965,381 2.099,382 3.433,383 2.216,384 5.057,385 3.011,386 2.072,387 2.716,389 5.796,390 1.945,391 3.41,392 2.105,393 4.945,394 2.934,395 2.002,396 2.704,398 5.604,399 1.862,400 3.29,401 1.998,402 4.657,403 2.839,404 1.894,405 2.51,407 5.176,408 1.778,409 2.938,410 1.709,411 4.255,412 2.471,413 1.478,414 2.123,415 3.674,416 1.467,417 2.775,418 1.479,419 3.843,420 2.359,421 1.383,422 1.889,423 3.185,424 1.345,425 2.495,426 1.369,427 3.709,428 2.303,429 1.32,430 1.48,431 2.854,432 1.286,433 2.454,434 1.087,435 3.577,436 1.925,437 1.009,438 1.434,439 2.565,440 0.923,441 2.358,442 1.058,443 3.498,444 1.872,445 0.906,446 1.226,448 2.332,449 0.873,450 2.137,451 0.953,452 3.201,453 1.585,454 0.601,455 0.895,457 1.464,458 0.591,459 16.3,460 0.466,461 0.87,462 0.025,463 50.75,464 1.45,465 27,466 0.771,467 23.75,468 0.679,469 27.187,470 0.777,471 36.5,472 0.629,473 42.091,474 1.203,475 10.053,476 0.287,477 6.921,478 0.198,479 0.09,481 0.362,485 0.939,486 1.256,487 0.745,488 0.975,489 0.896,490 0.84,491 0.716,492 1.093,493 0.773,494 1.017,495 0.437,496 0.93,497 1.103,498 0.971,499 0.963,500 0.894,501 0.915,502 0.903,503 0.907,504 0.911,505 1.037,506 1.013,507 0.736,508 1.049,509 0.647,510 1.021,511 1.049,512 1.107,513 0.681,514 1.152,515 0.64,516 0.926,517 0.914,518 1.003,519 0.495,520 1.008,521 0.798,522 1.039,523 0.868,524 0.993,525 0.547,526 0.947,527 1.091,528 1.039,529 0.98,530 1,531 0.985,532 0.975,533 7,534 0.288,535 3.556,536 2.375,537 2.398,538 0.916,539 0.721,540 0.661,541 0.545,542 0.307,543 18019,544 54975,545 2.123,546 39.7,548 13,550 1,551 5,552 2,553 2,555 1.77,556 2,557 3.62,558 2.304,564 95.218,565 1.642,566 4.119,567 5.036,568 5.479,569 5.617,570 5.651,571 3.178,572 4.901,573 5.09,574 3.842,575 2286.21,576 8.963,577 35062.6,582 339.763,583 1.366,584 5.067,585 0.179,586 0.008,587 0.065,588 0.039,589 0.042,590 0.017,591 0.014,592 0.013,593 0.011,594 0.007,595 0.396,596 0.17,597 0.63,598 1.237,599 188.399,600 -0.14,601 -0.093,602 0.018,603 0.025,604 -0.164,605 0.053,606 0.152,607 0.008,608 0.07,609 -0.025,610 0.222,611 -0.006,612 -0.115,613 0.084,614 -0.045,615 0.076,616 -0.115,617 0.031,618 -0.05,619 0.118,620 -0.122,621 -0.015,622 -0.033,623 -0.077,624 0.107,625 -0.037,626 -0.124,627 -0.079,628 0.007,629 -0.136,630 0.034,631 0.038,632 0.054,633 0.015,634 0.004,635 0.035,636 -0.034,637 -0.068,638 0.098,639 0.018,640 0.046,641 0.077,642 -0.09,643 -0.045,644 -0.019,645 -0.011,646 -0.06,647 -0.002,648 2.5,649 3.741,650 0.714,651 43.763,652 1.013,653 1.128,654 2.911,655 8.474,656 0.681,657 3.689,658 4.025,659 4.304,660 4.615,661 4.913,662 5.063,663 5.247,664 5.442,665 5.652,666 5.775,667 7.62,668 0.664,669 469.55,670 3.689,671 5.242,672 6.098,673 6.987,674 7.865,675 8.762,676 9.651,677 10.552,678 11.447,679 12.35,680 12.1,684 2,688 1,690 4,694 2,695 8,696 4,700 8,702 23,711 2,714 1,716 1,718 58,719 25,720 2,721 39,723 62,724 25,725 18,726 5,727 7,728 2,729 5,730 9,739 2,741 21,742 4,744 2,748 1,749 2,751 1,757 23,758 10,759 5,760 10,764 7,769 0.4,770 3,774 1,776 1,781 4,782 1,785 1,786 2,792 1,795 2,800 1,802 2,810 35,811 2,815 1,816 4,818 1,821 1,829 5.2,831 1,832 1,834 1,836 17.5,837 10.283,838 7.583,839 3.306,840 5.285,841 1.605,842 1.007,843 6.381,844 14.028,845 3.98,846 4.61,847 5.212,848 5.838,849 6.46,850 6.8,851 7.249,852 7.708,853 8.201,854 8.533,855 1,856 61,857 12.867,859 5.538,860 7.867,861 24.195,863 19.873,865 2.367,866 82.833,870 211.88,871 134.982,872 136.061,874 78.828,877 134.982,878 290.708,879 136.061,881 11.767,882 151.081,883 147.651,884 46.916,885 4.227,886 200.109,888 211.88,889 271.043,890 78.828,893 190.053,894 102.37,897 30.739,898 152.494,899 86.095,901 211.88,902 214.889,903 134.982,906 211.88,907 40.648,908 97.458,910 211.765,911 211.88,912 214.889,913 134.982,915 0.582,916 0.33,917 0.185,918 0.106,919 27,920 12,921 0.113,922 7,923 3,924 1.24,925 4.5,926 345.468,927 0.24,928 25,929 179.525,933 22.874,934 9.764,935 4.979,936 0.755,937 214.889,938 15.571,939 17.162,943 5.6,945 108.478,946 561.751,947 52.5,951 10.741,952 4.099,954 -0.833,956 58.763,957 65.438,958 0.28,959 0.703,960 0.86,961 0.935,962 0.959,963 0.965,964 5.219,965 2.002,966 6.084,967 5.796,968 4.71,969 5.298,970 2.529,971 6.903,972 4.621,973 6.437,974 1.894,975 7.643,976 5.604,977 4.29,978 5.121,979 2.283,980 7.803,981 4.153,982 7.749,983 1.478,984 9.3,985 5.176,986 6.304,987 7.53,988 3.681,989 10.93,990 6.13,991 9.095,992 1.383,993 11.018,994 3.674,995 6.686,996 8.161,997 4.12,998 12.681,999 6.46,1000 10.471,1001 1.32,1002 12.776,1003 3.185,1004 8.176,1005 10.053,1006 5.21,1007 15.331,1008 7.916,1009 11.87,1010 1.009,1011 14.562,1012 2.854,1013 8.949,1014 11.09,1015 5.89,1016 17.448,1017 8.637,1018 13.287,1019 0.906,1020 16.37,1021 2.565,1022 10.225,1023 12.756,1024 6.85,1025 19.932,1026 9.877,1027 3.212,1028 0.601,1029 18.195,1030 2.332,1031 11.193,1032 14.008,1033 7.625,1034 22.208,1035 10.794,1036 3.07,1037 11.279,1038 20.034,1039 1.464,1040 12.381,1041 15.569,1042 8.526,1043 24.633,1044 11.943,1045 2.718,1046 10.172,1047 21.883,1048 4.491,1049 13.444,1050 16.933,1051 9.342,1052 26.978,1053 12.956,1054 2.442,1055 8.853,1056 23.742,1057 4.107,1058 14.6,1059 18.446,1060 10.216,1061 29.385,1062 14.071,1063 2.288,1064 7.264,1065 25.608,1066 3.74,1067 15.707,1068 19.869,1069 11.051,1070 31.762,1071 15.131,1072 2.208,1073 6.72,1074 27.48,1075 3.241,1076 16.854,1077 21.363,1078 11.912,1079 34.165,1080 16.235,1081 2.072,1082 5.965,1083 29.357,1084 2.913,1085 17.983,1086 22.815,1087 12.755,1088 36.557,1089 17.317,1090 17047,1091 29913,1092 26.353,1093 39.495,1094 59.045,1095 59.433,1096 59.608,1097 58.267,1098 58.261,1099 77.768,1100 8.579,1101 168.239,1102 55.684,1103 5.437,1104 5.596,1105 6.499,1106 5.253,1107 5.212,1108 7.491,1109 3.925,1110 18.65,1111 5.085,1112 16.75,1113 1.514,1114 1.524,1115 1.528,1116 1.494,1117 1.494,1118 1.994,1119 0.22,1120 4.314,1121 1.428,1122 4.085,1123 4.123,1124 4.052,1125 3.994,1126 7.474,1127 4,1128 3.985,1129 4.025,1130 3.961,1131 3.832,1132 6.351,1133 3.864,1134 3.808,1135 3.831,1136 3.746,1137 3.743,1138 5.342,1139 3.74,1140 3.676,1141 3.715,1142 3.565,1143 3.507,1144 4.99,1145 3.51,1146 3.512,1147 3.58,1148 3.447,1149 3.327,1150 4.907,1151 3.348,1152 3.331,1153 3.365,1154 3.236,1155 3.226,1156 4.849,1157 3.218,1158 3.237,1159 3.279,1160 3.138,1161 2.975,1162 4.713,1163 3.012,1164 3.128,1165 3.221,1166 3.018,1167 2.881,1168 4.361,1169 2.909,1170 0.117,1171 0.092,1172 0.175,1173 0.107,1174 0.082,1175 4.549,1176 0.115,1177 3.596,1178 0.06,1179 6.81,1180 0.289,1181 4.172,1182 0.079,1183 3.212,1184 4.491,1185 2.341,1186 11.279,1187 3.085,1188 1.947,1189 1.913,1190 2.027,1191 2.117,1192 1.203,1193 2.082,1194 1.911,1195 1.891,1196 2.008,1197 2.009,1198 1.167,1199 1.999,1200 1.881,1201 1.845,1202 1.935,1203 1.981,1204 1.115,1205 1.993,1206 1.644,1207 1.598,1208 1.877,1209 1.844,1210 0.971,1211 1.853,1212 1.439,1213 1.38,1214 1.596,1215 1.661,1216 0.713,1217 1.646,1218 1.325,1219 1.286,1220 1.519,1221 1.488,1222 0.573,1223 1.484,1224 1.129,1225 1.094,1226 1.364,1227 1.414,1228 0.51,1229 1.405,1230 1.043,1231 0.978,1232 1.283,1233 1.379,1234 0.245,1235 1.36,1236 4.369,1238 5.7,1240 7.222,1241 2.708,1242 8.839,1243 5.38,1244 10.51,1250 11.695,1251 8.823,1252 1.276,1254 5.789,1257 2.156,1262 38.509,1263 95.218,1264 238.892,1265 292.111,1266 317.763,1267 325.763,1268 327.763,1269 57.135,1270 8.743,1271 155.06,1272 155.06,1273 31,1274 12.872,1275 4.7,1276 3.858,1277 52.081,1278 151,1279 202,1280 0.161,1281 235.105,1282 404.71,1283 565.415,1284 89851,1286 24.363,1287 0.696,1288 0.536,1289 24.363,1290 18.756,1291 16.974,1292 0.435,1293 0.284,1294 10.888,1295 16.275,1296 10.711,1297 8.829,1298 16.974,1299 11.057,1300 15.623,1301 0.284,1302 0.146,1303 15.623,1304 8.045,1305 12.742,1306 0.175,1307 0.077,1308 12.742,1309 5.585,1310 11.152,1311 0.112,1312 0.04,1313 11.152,1314 3.99,1315 9.523,1316 0.071,1317 0.021,1318 9.523,1319 2.806,1320 0.252,1321 106.703,1322 0.195,1323 32.091,1324 0.445,1325 188,1326 574.471,1327 208.932,1328 558.42,1329 769.28,1330 522,1331 222,1332 578.248,1333 241.802,1334 582.881,1335 854.43,1336 550,1337 5.824}
{0 CHEMBL431257,1 1.758,2 8.652,3 1.069,4 1.143,5 85.249,6 8.112,7 0.64,8 3.815,9 3.937,10 3.436,11 3.193,12 5.068,13 3.249,14 4.287,15 4.452,16 3.794,17 3.527,18 5.51,19 3.581,20 4.327,21 4.458,22 3.9,23 3.635,24 5.619,25 3.686,26 4.464,27 4.616,28 3.887,29 3.707,30 5.713,31 3.719,32 4.622,33 4.822,34 3.693,35 3.698,36 5.737,37 3.66,38 4.509,39 4.727,40 3.546,41 3.593,42 5.545,43 3.528,44 4.44,45 4.718,46 3.414,47 3.424,48 5.449,49 3.361,50 4.249,51 4.508,52 3.312,53 3.226,54 5.353,55 3.172,56 0.168,57 0.602,58 7.384,59 2.67,60 13.207,61 3.487,62 0.521,63 0.858,64 14.948,65 4.645,66 35.279,67 5.847,68 0.52,69 0.971,70 13.264,71 4.389,72 28.726,73 5.731,74 0.491,75 1.03,76 15.754,77 5.744,78 31.549,79 7.488,80 0.86,81 1.002,82 22.529,83 6.194,84 56.119,85 8.44,86 0.581,87 0.902,88 20.167,89 6.163,90 36.222,91 8.908,92 0.565,93 0.803,94 20.743,95 4.842,96 42.358,97 8.131,98 0.52,99 0.639,100 16.732,101 4.253,102 39.483,103 6.921,104 35,105 36,106 0.313,107 0.644,108 0.704,109 0.735,110 0.747,111 0.785,112 3.189,113 0.799,114 -2.55,115 -2.57,116 -2.51,119 35.9,124 3,139 2,140 1,141 3,143 1,144 1,147 1,155 2,157 2,158 2,159 2,166 2,169 1,170 3,172 3,173 5,175 1,178 1,181 4,182 6,184 1,185 1,187 2,192 1,193 4,195 1,196 2,197 3,200 4,205 1,206 2,207 3,209 1,210 3,212 1,218 1,220 1,221 2,224 1,226 3,231 3,233 2,239 2,243 2,245 3,248 2,249 2,259 1,262 3,263 3,273 664,274 15.574,275 15.574,276 15.574,277 15.574,278 15.574,279 13.706,280 16.476,281 8.84,282 16.367,283 12.14,284 12.14,285 12.14,286 12.14,287 12.14,288 9.065,289 18.829,290 3.919,291 13.166,292 3.527,293 1.671,294 1.334,295 1.161,296 1.09,297 0.879,298 3.865,301 1,302 1,303 418,304 2.739,306 45.55,307 132.661,310 89.989,314 1.263,315 25.709,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 52,327 199,328 4.617,329 3.381,330 6.608,331 4.132,332 3.185,333 4.568,334 0.86,335 10.599,336 3.018,337 4.415,338 3.156,339 6.506,340 3.97,341 3.029,342 4.119,343 0.86,344 10.193,345 2.847,346 3.898,347 2.642,348 5.989,349 3.501,350 2.556,351 3.361,352 0.86,353 8.466,354 2.41,355 3.483,356 2.555,357 5.19,358 3.016,359 2.096,360 2.851,362 6.118,363 1.922,364 3.364,365 2.21,366 5.065,367 2.972,368 2.061,369 2.722,371 5.948,372 1.867,373 3.355,374 2.051,375 5.017,376 2.865,377 1.941,378 2.604,380 5.783,381 1.79,382 2.747,383 1.933,384 4.381,385 2.254,386 1.345,387 1.853,389 3.911,390 1.22,391 2.199,392 1.289,393 3.695,394 1.877,395 1.029,396 1.134,398 2.227,399 0.866,400 2.127,401 0.951,402 3.636,403 1.661,404 0.757,405 1.043,407 2.05,408 0.684,409 1.576,410 0.916,411 2.859,412 1.27,413 0.396,414 0.452,415 0.603,416 0.342,417 1.402,418 0.819,419 2.725,420 1.149,421 0.31,422 0.332,423 0.393,424 0.258,425 1.121,426 0.101,427 2.552,428 0.644,429 -0.264,430 -0.351,431 -0.655,432 -0.24,433 0.819,434 -0.203,435 2.471,436 0.452,437 -0.46,438 -0.55,439 -0.916,440 -0.41,441 0.752,442 -0.339,443 2.36,444 0.355,445 -0.55,446 -0.658,448 -1.323,449 -0.498,450 0.65,451 -0.341,452 2.294,453 0.24,454 -0.694,455 -0.878,457 -1.641,458 -0.637,459 10.4,460 0.452,461 0.606,462 0.026,463 33,464 1.435,465 16.5,466 0.717,467 16.5,468 0.717,469 15.384,470 0.669,471 25.6,472 0.656,473 24.667,474 1.072,475 6.881,476 0.299,477 4.186,478 0.182,479 0.221,481 0.433,485 1.082,486 1.508,487 0.757,488 1.194,489 1.229,490 0.915,491 1.27,492 0.794,493 0.683,494 0.653,495 0.842,496 0.565,497 0.954,498 1.257,499 0.839,500 1.063,501 0.867,502 0.93,503 0.894,504 1.273,505 0.966,506 1.377,507 0.739,508 1.225,509 1.372,510 0.867,511 1.295,512 0.969,513 1.254,514 1.11,515 0.984,516 1.186,517 1.072,518 1.232,519 0.839,520 1.207,521 0.778,522 0.876,523 0.874,524 0.833,525 0.856,526 0.846,527 0.602,528 0.931,529 0.798,530 0.987,531 0.679,532 0.946,533 5.5,534 0.037,535 2.889,536 2.069,537 2.059,538 0.83,539 0.451,540 0.412,541 0.309,542 0.17,543 4930,544 16049,545 2.016,546 41,548 11,551 5,555 1.661,556 1.84,557 3.101,558 2.803,559 1,560 1,562 1,564 68.563,565 1.758,566 3.615,567 3.951,568 4.124,569 4.195,570 4.407,571 2.475,572 3.915,573 4.497,574 3.217,575 813.994,576 7.764,577 9005.72,578 1,579 1,582 206.131,583 1.538,584 4.428,585 0.22,586 0.006,587 0.08,588 0.053,589 0.056,590 0.029,591 0.018,592 0.019,593 0.016,594 0.012,595 0.509,596 0.17,597 1,598 1.059,599 105.69,600 -0.204,601 -0.248,602 0.025,603 -0.115,604 -0.315,605 0.013,606 -0.099,607 0.272,608 0.248,609 0.362,610 0.09,611 0.37,612 0.062,613 -0.036,614 -0.013,615 -0.037,616 0.009,617 -0.035,618 0.049,619 -0.126,620 -0.116,621 -0.326,622 0.109,623 -0.278,624 -0.197,625 0.093,626 -0.313,627 0.006,628 -0.241,629 -0.165,630 -0.048,631 -0.257,632 -0.1,633 -0.196,634 -0.041,635 -0.179,636 0.027,637 0.007,638 0.164,639 0.094,640 0.029,641 0.169,642 0.291,643 -0.056,644 0.239,645 -0.037,646 0.303,647 0.071,648 1.588,649 1.838,650 0.652,651 17.006,652 1.026,653 1.146,654 1.318,655 1.737,656 0.646,657 3.258,658 3.611,659 3.932,660 4.234,661 4.443,662 4.564,663 4.654,664 4.796,665 4.868,666 4.86,667 5.217,668 0.639,669 316.36,670 3.258,671 4.812,672 5.687,673 6.592,674 7.485,675 8.394,676 9.293,677 10.203,678 11.105,679 12.016,680 15.4,684 2,688 1,690 3,694 2,695 2,696 3,697 1,700 7,702 16,711 2,716 3,718 39,719 16,720 1,721 25,723 41,724 14,725 11,726 4,727 2,729 3,730 4,741 11,742 3,753 1,754 1,757 16,758 8,759 5,760 9,763 1,764 6,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,806 3,810 23,811 2,818 3,829 7.7,834 3,836 12.5,837 7.933,838 5.222,839 1.863,840 3.183,841 1.45,842 0.984,843 4.147,844 10.254,845 3.526,846 4.216,847 4.893,848 5.55,849 6.113,850 6.541,851 6.968,852 7.45,853 7.796,854 8.127,855 0.833,856 39,857 8.383,859 3.485,860 7.891,861 15.475,863 12.005,865 2.391,866 55,870 129.482,871 80.932,872 132.936,874 33,877 80.932,878 162.482,879 132.936,880 32.649,882 84.747,883 54.4,884 70.845,885 4.227,886 129.482,888 129.482,889 213.868,890 33,893 129.482,894 33,897 24.872,898 138.64,899 50.357,901 129.482,902 165.936,903 80.932,906 129.482,907 29.33,908 51.602,909 16.786,910 149.151,911 129.482,912 165.936,913 80.932,915 0.58,916 0.366,917 0.21,918 0.111,919 18,920 9,921 0.098,922 4,923 1,924 1.133,925 3.352,926 189.342,927 0.133,928 15,929 96.042,933 15.641,934 6.098,935 2.73,936 0.904,937 149.151,938 3.54,939 12.396,940 3.059,943 3.069,945 82.58,946 376.35,947 33,956 40.011,957 44.694,958 0.333,959 0.684,960 0.748,961 0.78,962 0.794,963 0.834,964 4.771,965 1.029,966 5.7,967 3.911,968 4.29,969 4.902,970 1.693,971 6.567,972 4.144,973 6.021,974 0.757,975 7.298,976 2.227,977 4.007,978 4.913,980 7.554,981 3.823,982 7.366,983 0.396,984 8.99,985 2.05,986 5.943,987 7.24,988 1.454,989 10.659,990 5.684,991 8.75,992 0.31,993 10.734,994 0.603,995 6.447,996 8.044,998 12.424,999 6.141,1000 10.163,1001 -0.264,1002 12.511,1003 0.393,1004 7.879,1005 9.873,1006 1.232,1007 15.051,1008 7.517,1009 11.596,1010 -0.46,1011 14.31,1012 -0.655,1013 8.735,1014 11.042,1016 17.142,1017 8.318,1018 13.044,1019 -0.55,1020 16.126,1021 -0.916,1022 9.979,1023 12.675,1024 1.028,1025 19.596,1026 9.513,1027 3.185,1028 -0.694,1029 17.953,1030 -1.323,1031 10.993,1032 14.02,1034 21.828,1035 10.469,1036 3.029,1037 10.599,1038 19.789,1039 -1.641,1040 12.167,1041 15.573,1042 0.845,1043 24.214,1044 11.594,1045 2.556,1046 10.193,1047 21.633,1048 4.568,1049 13.251,1050 17,1052 26.507,1053 12.62,1054 2.096,1055 8.466,1056 23.483,1057 4.119,1058 14.401,1059 18.521,1060 0.684,1061 28.867,1062 13.718,1063 2.061,1064 6.118,1065 25.338,1066 3.361,1067 15.516,1068 19.988,1070 31.189,1071 14.776,1072 1.941,1073 5.948,1074 27.196,1075 2.851,1076 16.658,1077 21.497,1078 0.546,1079 33.539,1080 15.866,1081 1.345,1082 5.783,1083 29.059,1084 2.722,1085 17.787,1086 22.983,1088 35.873,1089 16.939,1090 4946,1091 9041,1092 16.126,1093 25.205,1094 37.326,1095 38.564,1096 40.333,1097 37.271,1098 37.413,1099 50.076,1100 5.16,1101 112.582,1102 34.446,1103 5.298,1104 5.381,1105 6.15,1106 5.205,1107 5.185,1108 7.568,1109 1.72,1110 17.548,1111 5.018,1112 13.4,1113 1.493,1114 1.543,1115 1.613,1116 1.491,1117 1.497,1118 2.003,1119 0.206,1120 4.503,1121 1.378,1122 4.109,1123 4.157,1124 4.092,1125 3.95,1126 5.347,1127 3.978,1128 3.872,1129 3.886,1130 3.843,1131 3.735,1132 5.003,1133 3.761,1134 3.403,1135 3.48,1136 3.345,1137 3.134,1138 4.973,1139 3.178,1140 3.303,1141 3.355,1142 3.144,1143 3.006,1144 4.815,1145 3.026,1146 3.221,1147 3.296,1148 3.023,1149 2.913,1150 4.58,1151 2.924,1152 3.139,1153 3.231,1154 2.971,1155 2.869,1156 4.459,1157 2.871,1158 3.086,1159 3.206,1160 2.926,1161 2.751,1162 4.211,1163 2.791,1164 2.704,1165 2.776,1166 2.515,1167 2.562,1168 3.996,1169 2.537,1170 0.185,1171 0.135,1172 0.264,1173 0.165,1174 0.127,1175 4.617,1176 0.183,1177 3.381,1178 0.034,1179 6.608,1180 0.424,1181 4.132,1182 0.121,1183 3.185,1184 4.568,1185 0.86,1186 10.599,1187 3.018,1188 1.889,1189 1.879,1190 1.956,1191 2.02,1192 1.094,1193 1.995,1194 1.781,1195 1.733,1196 1.819,1197 1.992,1198 0.819,1199 1.951,1200 1.347,1201 1.296,1202 1.59,1203 1.639,1204 0.586,1205 1.606,1206 1.227,1207 1.163,1208 1.58,1209 1.558,1210 0.584,1211 1.565,1212 1.169,1213 1.083,1214 1.56,1215 1.506,1216 0.567,1217 1.525,1218 1.087,1219 0.992,1220 1.346,1221 1.393,1222 0.344,1223 1.402,1224 0.997,1225 0.896,1226 1.265,1227 1.367,1228 0.09,1229 1.355,1230 0.79,1231 0.684,1232 1.054,1233 1.156,1235 1.138,1236 3.932,1238 5.273,1239 2.398,1240 6.819,1241 4.727,1242 8.462,1243 6.862,1244 10.155,1246 4.633,1250 11.419,1254 15.98,1262 24.907,1263 68.563,1264 140.972,1265 154.092,1266 160.846,1267 163.601,1268 171.866,1269 32.168,1270 7.071,1271 134.19,1272 134.19,1273 17,1274 12.532,1275 4.087,1276 3.17,1277 36.685,1278 72,1279 65,1280 0.259,1281 155.146,1282 254.87,1283 370.316,1284 9434,1286 16.56,1287 0.72,1288 0.56,1289 16.56,1290 12.876,1291 11.066,1292 0.443,1293 0.266,1294 6.455,1295 10.295,1296 6.246,1297 5.245,1298 11.066,1299 6.661,1300 9.85,1301 0.274,1302 0.13,1303 9.85,1304 4.664,1305 8.605,1306 0.172,1307 0.067,1308 8.605,1309 3.327,1310 7.576,1311 0.111,1312 0.034,1313 7.576,1314 2.294,1315 5.851,1316 0.07,1317 0.018,1318 5.851,1319 1.477,1320 0.393,1321 71.955,1322 0.249,1323 22.041,1324 0.75,1325 122,1326 433.099,1327 141.237,1328 406.656,1329 560.13,1330 382,1331 147,1332 420.031,1333 167.125,1334 424.967,1335 623.31,1336 394,1337 4.888}
{0 CHEMBL431740,1 1.933,2 10.742,3 2.665,4 7.104,5 119.225,6 9.858,7 0.353,8 4.012,9 4.106,10 3.795,11 3.498,12 5.302,13 3.54,14 4.497,15 4.63,16 4.219,17 3.885,18 5.791,19 3.923,20 4.626,21 4.709,22 4.527,23 4.091,24 5.994,25 4.134,26 4.8,27 4.896,28 4.688,29 4.216,30 6.256,31 4.218,32 4.946,33 5.084,34 4.459,35 4.192,36 6.252,37 4.164,38 4.847,39 5.013,40 4.227,41 4.053,42 6.152,43 3.994,44 4.738,45 4.938,46 4.114,47 3.885,48 6.007,49 3.824,50 4.511,51 4.721,52 3.922,53 3.704,54 5.72,55 3.65,56 0.267,57 0.719,58 5.14,59 3.562,60 17.526,61 3.429,62 0.719,63 1.064,64 15.23,65 6.292,66 51.004,67 6.219,68 0.785,69 1.243,70 13.445,71 6.66,72 40.494,73 6.277,74 0.958,75 1.383,76 20.264,77 9.117,78 57.135,79 9.164,80 1.336,81 1.395,82 36.459,83 10.518,84 92.501,85 9.661,86 1.181,87 1.236,88 32.792,89 9.903,90 93.911,91 10.053,92 1.107,93 1.05,94 35.825,95 9.598,96 100.79,97 10.961,98 0.776,99 0.919,100 20.866,101 7.612,102 60.078,103 9.806,104 74,105 51,106 0.326,107 0.694,108 0.743,109 0.774,110 0.784,111 0.814,112 3.473,113 0.838,114 -3.19,115 -3.18,116 -3.05,119 40.4,124 3,134 1,135 2,136 2,140 1,141 6,144 2,147 1,153 1,157 2,158 2,159 2,166 3,169 3,170 7,172 3,173 3,175 1,178 3,180 1,181 2,182 9,187 1,191 1,192 7,193 10,195 3,196 3,197 1,198 3,200 2,201 1,204 3,205 1,206 1,207 2,212 1,215 4,218 1,220 3,221 4,223 3,224 3,226 2,229 2,231 2,234 8,241 2,245 4,246 3,248 1,249 1,259 2,260 5,265 2,270 2,273 1409,274 20.748,275 20.748,276 20.748,277 20.748,278 20.748,279 18.323,280 29.969,281 11.535,282 21.727,283 16.505,284 16.505,285 16.505,286 16.505,287 16.505,288 12.461,289 39.274,290 5.092,291 17.937,292 3.622,293 1.437,294 1.15,295 0.963,296 0.905,297 0.729,298 4.161,299 2,301 1,302 1,303 710,304 3.162,307 287.808,311 218.499,314 1.59,315 45.706,318 1,319 0.67,320 1,321 0.4,323 0.83,324 0.5,325 0.63,326 69.667,327 333,328 4.817,329 3.729,330 7.074,331 4.308,332 3.365,333 4.892,334 1.149,335 12.125,336 3.24,337 4.682,338 3.665,339 6.951,340 4.226,341 3.272,342 4.432,343 0.86,344 11.747,345 3.023,346 4.13,347 3.112,348 6.322,349 3.709,350 2.764,351 3.573,352 0.86,353 9.465,354 2.624,355 3.843,356 3.055,357 6.104,358 3.495,359 2.551,360 3.186,361 0.86,362 8.664,363 2.388,364 3.715,365 2.975,366 5.934,367 3.26,368 2.39,369 3.139,370 0.8,371 7.924,372 2.108,373 3.7,374 2.604,375 5.361,376 3.17,377 2.21,378 3.059,380 6.665,381 2.021,382 3.495,383 2.32,384 5.082,385 2.934,386 2.016,387 2.864,389 5.909,390 1.844,391 3.207,392 2.236,393 5.002,394 2.733,395 1.805,396 2.362,398 5.405,399 1.664,400 2.868,401 1.986,402 4.745,403 2.55,404 1.634,405 1.896,407 4.755,408 1.456,409 2.694,410 1.975,411 3.951,412 2.014,413 1.089,414 1.534,415 2.649,416 1.007,417 2.18,418 1.881,419 3.899,420 1.909,421 1.016,422 1.133,423 2.276,424 0.889,425 2.103,426 1.348,427 3.794,428 1.745,429 1,430 1.07,431 2.167,432 0.683,433 1.874,434 0.983,435 3.244,436 1.255,437 0.369,438 0.463,439 0.796,440 0.31,441 1.438,442 0.882,443 3.007,444 1.12,445 0.232,446 0.282,448 0.362,449 0.201,450 1.364,451 0.641,452 2.828,453 0.798,454 -0.067,455 -0.08,457 -0.168,458 -0.05,459 14.662,460 0.473,461 0.943,462 0.03,463 44.5,464 1.435,465 22.5,466 0.726,467 22,468 0.71,469 26.774,470 0.864,471 33.338,472 0.709,473 37.618,474 1.213,475 8.899,476 0.287,477 5.916,478 0.191,479 0.277,481 0.471,485 0.918,486 1.405,487 0.536,488 0.941,489 0.846,490 0.789,491 1.111,492 0.724,493 0.555,494 0.463,495 0.692,496 0.435,497 0.769,498 1.252,499 0.669,500 0.934,501 0.788,502 0.74,503 0.672,504 1.139,505 0.778,506 1.09,507 0.746,508 1.011,509 1.481,510 1.092,511 1.613,512 1.241,513 1.31,514 1.22,515 1.327,516 0.861,517 1.5,518 1.136,519 1.158,520 1.225,521 1.05,522 0.872,523 1.211,524 1.104,525 1.229,526 1.039,527 0.523,528 0.944,529 0.57,530 0.858,531 0.623,532 0.87,533 6.5,534 0.264,535 4.444,536 4.125,537 3.56,538 1.576,539 0.948,540 0.545,541 0.566,542 0.334,543 11010,544 41638,545 2.008,546 34,548 10,549 2,551 4,555 1.741,556 1.806,557 3.344,558 1.728,560 1,564 90.845,565 1.933,566 4.117,567 4.405,568 4.591,569 4.65,570 4.826,571 2.885,572 4.567,573 4.928,574 3.496,575 1625.85,576 8.631,577 21732.7,582 261.066,583 1.54,584 4.844,585 0.191,586 0.011,587 0.087,588 0.065,589 0.055,590 0.03,591 0.023,592 0.015,593 0.017,594 0.01,595 0.505,596 0.17,597 0.75,598 0.99,599 157.229,600 -0.172,601 -0.212,602 -0.003,603 -0.065,604 -0.201,605 0.013,606 -0.126,607 0.352,608 0.153,609 0.457,610 0.039,611 0.443,612 0.125,613 -0.099,614 0.118,615 -0.006,616 -0.019,617 0.067,618 0.266,619 -0.057,620 0.175,621 -0.109,622 0.194,623 -0.141,624 -0.349,625 -0.13,626 -0.391,627 -0.214,628 -0.287,629 -0.283,630 -0.252,631 0.077,632 -0.337,633 -0.113,634 -0.093,635 -0.237,636 -0.029,637 -0.027,638 0.005,639 -0.031,640 0.001,641 0.075,642 0.322,643 -0.05,644 0.314,645 0.153,646 0.232,647 0.248,648 2.2,649 5.714,650 0.645,651 26.05,652 1.04,653 1.132,654 1.957,655 3.829,656 0.705,657 3.555,658 3.951,659 4.331,660 4.682,661 4.942,662 5.1,663 5.231,664 5.407,665 5.587,666 5.697,667 6.204,668 0.698,669 463.31,670 3.555,671 5.142,672 6.047,673 6.98,674 7.901,675 8.837,676 9.762,677 10.699,678 11.625,679 12.562,680 12.8,684 2,686 1,689 1,690 2,696 2,700 8,702 12,711 2,714 1,716 3,717 2,718 47,719 17,720 1,721 34,723 50,724 19,725 10,726 6,728 6,729 4,730 7,731 2,741 16,742 3,744 5,748 1,749 3,750 1,751 3,754 1,757 16,758 10,759 4,760 12,761 2,764 6,769 0.5,770 4,776 1,781 4,785 2,795 1,796 2,802 2,806 3,807 2,810 31,811 2,818 3,821 1,828 2,829 8.5,832 1,834 3,836 17.167,837 9.669,838 6.917,839 2.353,840 4.113,841 1.502,842 0.995,843 5.74,844 12.307,845 3.829,846 4.533,847 5.25,848 5.916,849 6.53,850 6.961,851 7.363,852 7.845,853 8.323,854 8.754,855 1,856 63,857 11.396,859 4.971,860 8.029,861 20.719,863 16.634,865 2.529,866 78.389,869 1,870 141.253,871 104.074,872 119.275,873 78.297,874 58.145,877 104.074,878 277.695,879 119.275,880 32.649,881 18.095,882 75.271,883 63.421,884 86.729,885 28.872,886 117.711,887 78.297,888 141.253,889 223.35,890 58.145,891 78.297,893 141.253,894 58.145,897 18.685,898 161.618,899 121.345,901 141.253,902 177.42,903 182.372,906 141.253,907 43.854,908 63.345,910 252.593,911 141.253,912 177.42,913 182.372,915 0.592,916 0.386,917 0.231,918 0.122,919 26,920 14,921 0.08,922 4,923 2,924 1.2,925 3.843,926 305.65,927 0.2,928 20,929 143.58,933 21.703,934 8.199,935 3.396,937 177.42,939 7.962,943 1.364,945 65.794,946 501.045,947 45,951 12.714,952 4.834,953 3.985,954 0.216,956 48.869,957 53.207,958 0.348,959 0.741,960 0.793,961 0.827,962 0.837,963 0.869,964 5.118,965 1.805,966 6.084,967 5.909,968 4.635,969 5.22,970 2.201,971 7.015,972 4.48,973 6.391,974 1.634,975 7.724,976 5.405,977 4.443,978 5.323,979 0.325,980 8.138,981 4.228,982 7.762,983 1.089,984 9.462,985 4.755,986 6.347,987 7.611,988 2.108,989 11.304,990 6.086,991 9.17,992 1.016,993 11.254,994 2.649,995 6.938,996 8.512,997 0.268,998 13.21,999 6.615,1000 10.609,1001 1,1002 13.08,1003 2.276,1004 8.363,1005 10.33,1006 2.116,1007 15.923,1008 8.004,1009 12.07,1010 0.369,1011 14.929,1012 2.167,1013 9.297,1014 11.596,1015 0.188,1016 18.155,1017 8.88,1018 13.549,1019 0.232,1020 16.796,1021 0.796,1022 10.558,1023 13.247,1024 2.201,1025 20.716,1026 10.104,1027 3.365,1028 -0.067,1029 18.675,1030 0.362,1031 11.642,1032 14.681,1033 0.125,1034 23.088,1035 11.134,1036 3.272,1037 12.125,1038 20.566,1039 -0.168,1040 12.851,1041 16.273,1042 2.347,1043 25.595,1044 12.303,1045 2.764,1046 11.747,1047 22.464,1048 4.892,1049 13.998,1050 17.782,1051 0.082,1052 28.028,1053 13.4,1054 2.551,1055 9.465,1056 24.37,1057 4.432,1058 15.193,1059 19.356,1060 2.536,1061 30.516,1062 14.553,1063 2.39,1064 8.664,1065 26.281,1066 3.573,1067 16.368,1068 20.899,1069 0.054,1070 32.976,1071 15.681,1072 2.21,1073 7.924,1074 28.198,1075 3.186,1076 17.562,1077 22.469,1078 2.756,1079 35.459,1080 16.832,1081 2.016,1082 6.665,1083 30.119,1084 3.139,1085 18.75,1086 24.027,1087 0.035,1088 37.93,1089 17.975,1090 10769,1091 21077,1092 21.619,1093 33.136,1094 52.511,1095 54.795,1096 56.939,1097 51.575,1098 51.426,1099 67.769,1100 9.058,1101 161.813,1102 46.916,1103 5.638,1104 5.729,1105 6.613,1106 5.384,1107 5.365,1108 7.963,1109 2.298,1110 20.125,1111 5.24,1112 20.324,1113 1.544,1114 1.612,1115 1.675,1116 1.517,1117 1.513,1118 1.993,1119 0.266,1120 4.759,1121 1.38,1122 4.14,1123 4.17,1124 4.172,1125 4.032,1126 7.431,1127 4.051,1128 3.939,1129 3.942,1130 4.071,1131 3.848,1132 5.329,1133 3.86,1134 3.625,1135 3.672,1136 3.603,1137 3.447,1138 5.091,1139 3.475,1140 3.33,1141 3.372,1142 3.588,1143 3.11,1144 4.984,1145 3.143,1146 3.307,1147 3.355,1148 3.33,1149 3.03,1150 4.747,1151 3.047,1152 3.238,1153 3.301,1154 3.264,1155 2.997,1156 4.708,1157 3.012,1158 3.187,1159 3.265,1160 3.033,1161 2.894,1162 4.622,1163 2.895,1164 3.093,1165 3.197,1166 3.02,1167 2.825,1168 4.449,1169 2.845,1170 0.142,1171 0.11,1172 0.208,1173 0.127,1174 0.099,1175 4.817,1176 0.144,1177 3.729,1178 0.034,1179 7.074,1180 0.357,1181 4.308,1182 0.095,1183 3.365,1184 4.892,1185 1.149,1186 12.125,1187 3.24,1188 2.055,1189 2.032,1190 2.082,1191 2.183,1192 1.23,1193 2.154,1194 1.853,1195 1.854,1196 1.852,1197 1.975,1198 1.054,1199 1.948,1200 1.541,1201 1.496,1202 1.653,1203 1.752,1204 0.656,1205 1.726,1206 1.224,1207 1.18,1208 1.586,1209 1.554,1210 0.583,1211 1.562,1212 1.215,1213 1.164,1214 1.569,1215 1.513,1216 0.57,1217 1.529,1218 1.179,1219 1.112,1220 1.475,1221 1.478,1222 0.54,1223 1.464,1224 1.144,1225 1.063,1226 1.339,1227 1.409,1228 0.351,1229 1.399,1230 1.004,1231 0.91,1232 1.273,1233 1.349,1234 0.023,1235 1.351,1236 4.234,1238 5.609,1240 7.206,1242 8.91,1244 10.672,1246 4.313,1247 13.154,1250 11.628,1254 16.134,1257 1.556,1262 32.803,1263 90.845,1264 193.517,1265 207.027,1266 215.781,1267 218.536,1268 226.801,1269 66.577,1270 8.193,1271 140.4,1272 140.4,1273 24,1274 13.062,1275 4.17,1276 3.585,1277 49.251,1278 117,1279 118,1280 0.214,1281 207.594,1282 371.2,1283 498.289,1284 39100,1285 4.3,1286 22.447,1287 0.724,1288 0.583,1289 23.447,1290 18.076,1291 14.815,1292 0.436,1293 0.279,1294 8.571,1295 13.407,1296 8.262,1297 6.852,1298 15.393,1299 9.495,1300 13.517,1301 0.265,1302 0.139,1303 14.184,1304 7.094,1305 12.2,1306 0.163,1307 0.072,1308 13.013,1309 5.401,1310 11.409,1311 0.107,1312 0.039,1313 12.515,1314 4.152,1315 8.84,1316 0.064,1317 0.019,1318 9.436,1319 2.612,1320 0.327,1321 101.543,1322 0.215,1323 28.276,1324 0.617,1325 170,1326 618.554,1327 222.796,1328 642.817,1329 857.96,1330 598,1331 211,1332 589.66,1333 263.609,1334 616.079,1335 917.52,1336 573,1337 6.301}
{0 CHEMBL432752,1 1.441,2 8.4,3 1.497,4 2.241,5 86.379,6 6.81,7 0.571,8 3.769,9 3.936,10 3.23,11 3.228,12 4.915,13 3.205,14 4.238,15 4.452,16 3.567,17 3.588,18 5.324,19 3.53,20 4.451,21 4.69,22 3.666,23 3.727,24 5.489,25 3.667,26 4.495,27 4.711,28 3.675,29 3.791,30 5.595,31 3.71,32 4.639,33 4.888,34 3.538,35 3.805,36 5.689,37 3.684,38 4.668,39 4.98,40 3.283,41 3.651,42 5.621,43 3.47,44 4.415,45 4.753,46 2.967,47 3.318,48 5.276,49 3.129,50 4.017,51 4.322,52 2.718,53 3.004,54 4.946,55 2.854,56 0.073,57 0.627,58 9.33,59 2.858,60 12.84,61 4.681,62 0.173,63 0.908,64 15.354,65 5.294,66 21.624,67 8.13,68 0.202,69 1.065,70 19.46,71 5.541,72 23.504,73 9.309,74 0.176,75 1.129,76 19.975,77 6.327,78 28.503,79 10.194,80 0.234,81 1.166,82 23.702,83 6.503,84 41.487,85 11.161,86 0.325,87 1.004,88 25.287,89 7.012,90 53.427,91 11.84,92 0.294,93 0.724,94 19.944,95 5.215,96 37.765,97 8.98,98 0.176,99 0.53,100 13.135,101 3.172,102 25.428,103 5.712,104 31,105 29,106 0.259,107 0.62,108 0.779,109 0.87,110 0.87,111 0.87,112 3.058,113 0.946,114 -3.25,115 -3.24,116 -3.11,119 35,120 2,121 1,125 1,139 3,140 2,141 2,143 1,144 1,147 1,157 3,158 3,159 3,166 5,169 1,170 3,172 3,173 3,175 4,178 5,180 2,182 3,186 1,187 5,188 1,189 4,191 3,193 5,195 1,196 1,197 1,198 8,200 2,201 4,204 7,205 1,207 3,212 6,215 5,218 5,223 2,224 2,225 1,226 3,228 2,229 2,231 3,232 1,237 2,238 1,239 3,240 1,241 1,243 2,250 1,251 1,253 2,258 1,260 2,264 1,265 1,267 1,268 1,270 1,273 474,274 13.309,275 13.309,276 13.309,277 13.309,278 13.309,279 11.766,280 18.986,281 7.83,282 13.603,283 10.242,284 10.242,285 10.242,286 10.242,287 10.242,288 7.874,289 25.609,290 3.511,291 10.698,292 3.881,293 1.878,294 0.994,295 0.488,296 0.488,297 0.488,298 3.711,300 1,301 1,302 1,303 341,304 2.55,307 130.902,314 1.3,315 17.36,317 1,318 0.75,319 0.83,320 0.83,321 0.9,322 1,323 0.83,324 1,325 0.88,326 43,327 168,328 4.532,329 3.249,330 6.769,331 4.147,332 3.17,333 4.253,334 0.4,335 11.071,336 3.101,337 4.159,338 2.92,339 6.041,340 3.752,341 2.786,342 3.781,344 8.637,345 2.689,346 3.622,347 2.363,348 5.315,349 3.205,350 2.269,351 2.999,353 6.668,354 2.123,355 3.301,356 2.224,357 5.038,358 2.934,359 1.986,360 2.549,362 5.704,363 1.878,364 3.123,365 1.915,366 4.773,367 2.716,368 1.767,369 2.344,371 5.022,372 1.67,373 2.859,374 1.686,375 4.196,376 2.48,377 1.516,378 1.989,380 3.789,381 1.459,382 2.221,383 1.211,384 3.379,385 2.046,386 1.081,387 1.199,389 2.001,390 1.041,391 1.723,392 0.675,393 3.158,394 1.541,395 0.559,396 0.628,398 1.028,399 0.548,400 1.381,401 0.283,402 2.741,403 1.13,404 0.171,405 0.197,407 0.303,408 0.164,409 1.137,410 0.016,411 2.436,412 0.817,413 -0.127,414 -0.152,415 -0.287,416 -0.119,417 0.826,418 -0.305,419 2.331,420 0.439,421 -0.478,422 -0.587,423 -1.148,424 -0.437,425 0.721,426 -0.473,427 2.236,428 0.359,429 -0.608,430 -0.723,431 -1.207,432 -0.586,433 0.364,434 -0.662,435 1.868,436 0.132,437 -0.824,438 -0.947,439 -1.839,440 -0.784,441 0.204,442 -0.875,443 1.545,444 -0.036,445 -1,446 -1.221,448 -2.347,449 -0.966,450 -0.082,451 -1.258,452 1.452,453 -0.398,454 -1.366,455 -1.757,457 -3.832,458 -1.32,459 9.4,460 0.47,461 0.524,462 0.026,463 26.75,464 1.338,465 14,466 0.7,467 12.75,468 0.638,469 14.608,470 0.73,471 22.4,472 0.56,473 18.568,474 0.928,475 5.121,476 0.256,477 4.441,478 0.222,479 0.234,481 0.372,485 1.312,486 1.303,487 0.975,488 1.004,489 1.463,490 0.949,491 0.538,492 1.087,493 0.741,494 1.031,495 0.418,496 0.932,497 1.116,498 1.071,499 0.879,500 0.878,501 0.872,502 0.849,503 0.931,504 1.335,505 1.063,506 1.279,507 0.832,508 1.203,509 1.317,510 1.283,511 1.304,512 1.286,513 1.423,514 1.292,515 0.87,516 0.935,517 1.014,518 1.036,519 1.022,520 1.044,521 0.826,522 0.735,523 0.864,524 0.809,525 0.975,526 0.837,527 1.194,528 0.994,529 1.088,530 0.986,531 1.061,532 1.017,533 4.5,534 0.029,535 2.444,536 2.063,537 1.418,538 0.792,539 0.525,540 0.212,541 0.127,542 0.066,543 3161,544 7915,545 1.938,546 50,547 3,548 5,551 7,552 2,553 3,555 1.622,556 1.765,557 3.014,558 4.805,560 1,562 1,564 57.626,565 1.441,566 3.444,567 4.328,568 4.834,569 4.834,570 4.834,571 2.528,572 3.922,573 4.289,574 3.13,575 594.686,576 7.351,577 5932.27,578 1,579 1,581 1,582 212.877,583 1.559,584 4.219,585 0.214,586 0.01,587 0.084,588 0.064,589 0.046,590 0.032,591 0.029,592 0.016,593 0.013,594 0.009,595 0.518,596 0.33,597 1,598 1.264,599 87.367,600 -0.252,601 0.031,602 -0.016,603 0.12,604 -0.35,605 0.091,606 0.33,607 0.078,608 0.207,609 0.077,610 0.306,611 0.117,612 -0.084,613 0.045,614 0.096,615 0.15,616 -0.023,617 0.149,618 -0.007,619 -0.172,620 -0.115,621 -0.197,622 0.078,623 -0.175,624 -0.284,625 -0.204,626 -0.337,627 -0.286,628 -0.268,629 -0.315,630 0.065,631 -0.059,632 -0.038,633 -0.097,634 0.018,635 -0.085,636 0.151,637 0.066,638 0.128,639 0.082,640 0.037,641 0.099,642 -0.089,643 -0.088,644 -0.091,645 -0.09,646 -0.028,647 -0.091,648 1.472,649 2.047,650 0.6,651 14.07,652 0.995,653 1.147,654 2.02,655 4.082,656 0.634,657 3.091,658 3.401,659 3.664,660 3.932,661 4.094,662 4.111,663 4.111,664 4.111,665 3.97,666 3.761,667 4.844,668 0.595,669 272.4,670 3.091,671 4.615,672 5.46,673 6.344,674 7.21,675 8.101,676 8.974,677 9.867,678 10.744,679 11.638,680 15,684 3,685 1,690 2,695 3,696 2,700 7,702 12,711 3,712 1,718 40,719 12,720 1,721 21,723 41,724 14,725 10,726 3,727 3,729 2,730 2,734 2,739 1,741 10,742 4,753 1,754 1,757 20,758 6,759 7,760 6,764 6,769 1,776 1,781 2,802 2,806 2,810 20,811 3,816 2,817 1,836 11.333,837 7.4,838 4.611,839 2.457,840 2.344,841 1.371,842 0.982,843 4.421,844 8.654,845 3.332,846 3.951,847 4.538,848 5.13,849 5.656,850 5.906,851 6.183,852 6.491,853 6.678,854 6.845,855 0.833,856 32,857 7.322,859 2.973,860 7.758,861 13.878,863 10.835,865 2.258,866 45.167,867 0.001,870 153.024,871 69.588,872 150.273,877 69.588,878 153.024,879 150.273,880 17.65,881 4.64,882 127.12,883 51.582,884 14.641,885 4.227,886 153.024,888 153.024,889 219.861,893 117.711,894 35.313,897 26.946,898 141.333,899 51.582,901 153.024,902 150.273,903 69.588,906 153.024,907 23.509,908 46.079,909 18.011,910 132.263,911 153.024,912 150.273,913 69.588,915 0.571,916 0.346,917 0.2,918 0.107,919 13,920 7,921 0.098,922 4,924 1,925 3.067,926 146.539,928 12,929 86.439,933 14.563,934 6.072,935 3.026,937 150.273,938 5.768,939 8.282,943 4.678,945 116.702,946 372.885,947 27,956 39.796,957 45.896,958 0.271,959 0.647,960 0.813,961 0.908,962 0.908,963 0.908,964 4.554,965 0.559,966 5.46,967 2.001,968 4.078,969 4.635,970 0.278,971 6.293,972 3.999,973 5.779,974 0.171,975 7.038,976 1.028,977 3.761,978 4.559,980 7.265,981 3.649,982 7.102,983 -0.127,984 8.717,985 0.303,986 5.687,987 6.874,988 0.05,989 10.371,990 5.547,991 8.463,992 -0.478,993 10.454,994 -0.287,995 6.155,996 7.56,998 12.162,999 5.993,1000 9.853,1001 -0.608,1002 12.228,1003 -1.148,1004 7.59,1005 9.392,1006 0.008,1007 14.805,1008 7.406,1009 11.265,1010 -0.824,1011 14.028,1012 -1.207,1013 8.423,1014 10.44,1016 16.949,1017 8.221,1018 12.693,1019 -1,1020 15.848,1021 -1.839,1022 9.668,1023 12.065,1024 0.001,1025 19.43,1026 9.446,1027 3.17,1028 -1.366,1029 17.683,1030 -2.347,1031 10.669,1032 13.297,1034 21.723,1035 10.429,1036 2.786,1037 11.071,1038 19.531,1039 -3.832,1040 11.842,1041 14.823,1043 24.148,1044 11.582,1045 2.269,1046 8.637,1047 21.388,1048 4.253,1049 12.918,1050 16.15,1052 26.503,1053 12.64,1054 1.986,1055 6.668,1056 23.254,1057 3.781,1058 14.066,1059 17.629,1061 28.911,1062 13.768,1063 1.767,1064 5.704,1065 25.127,1066 2.999,1067 15.177,1068 19.006,1070 31.292,1071 14.86,1072 1.516,1073 5.022,1074 27.006,1075 2.549,1076 16.318,1077 20.462,1079 33.694,1080 15.981,1081 1.081,1082 3.789,1083 28.889,1084 2.344,1085 17.445,1086 21.867,1088 36.087,1089 17.089,1090 3323,1091 5361,1092 13.235,1093 25.364,1094 30.701,1095 30.755,1096 33.15,1097 30.674,1098 30.613,1099 39.881,1100 0.8,1101 88.443,1102 29.345,1103 5.254,1104 5.249,1105 6.535,1106 5.217,1107 5.17,1108 7.253,1109 0.8,1110 17.961,1111 5.101,1112 12.033,1113 1.462,1114 1.465,1115 1.579,1116 1.461,1117 1.458,1118 1.899,1119 0.038,1120 4.212,1121 1.397,1122 4.018,1123 4.055,1124 3.981,1125 3.933,1126 5.288,1127 3.939,1128 3.783,1129 3.841,1130 3.732,1131 3.631,1132 5.1,1133 3.649,1134 3.481,1135 3.569,1136 3.295,1137 3.294,1138 4.978,1139 3.279,1140 3.391,1141 3.484,1142 3.204,1143 3.188,1144 4.548,1145 3.181,1146 3.118,1147 3.228,1148 2.995,1149 2.87,1150 4.399,1151 2.892,1152 3.019,1153 3.133,1154 2.858,1155 2.797,1156 4.163,1157 2.797,1158 2.887,1159 2.99,1160 2.716,1161 2.607,1162 3.965,1163 2.63,1164 2.707,1165 2.836,1166 2.482,1167 2.425,1168 3.66,1169 2.423,1170 0.216,1171 0.155,1172 0.322,1173 0.197,1174 0.151,1175 4.532,1176 0.203,1177 3.249,1178 0.019,1179 6.769,1180 0.527,1181 4.147,1182 0.148,1183 3.17,1184 4.253,1185 0.4,1186 11.071,1187 3.101,1188 1.967,1189 1.94,1190 2.048,1191 2.077,1192 1.2,1193 2.069,1194 1.728,1195 1.678,1196 1.893,1197 1.916,1198 1.049,1199 1.907,1200 1.486,1201 1.4,1202 1.794,1203 1.706,1204 0.941,1205 1.739,1206 1.378,1207 1.292,1208 1.62,1209 1.632,1210 0.602,1211 1.651,1212 1.032,1213 0.946,1214 1.29,1215 1.382,1216 0.219,1217 1.366,1218 0.969,1219 0.885,1220 1.262,1221 1.298,1222 0.188,1223 1.3,1224 0.836,1225 0.725,1226 1.166,1227 1.149,1228 0.123,1229 1.167,1230 0.677,1231 0.558,1232 1.091,1233 1.028,1234 0.021,1235 1.055,1236 3.761,1238 5.069,1240 6.589,1242 8.215,1244 9.894,1246 4.023,1250 17.675,1252 1.54,1253 3.199,1262 23.816,1263 57.626,1264 137.742,1265 173.103,1266 193.367,1267 193.367,1268 193.367,1269 31.679,1270 6.31,1271 115.87,1272 115.87,1273 12,1274 12.168,1275 3.7,1276 2.807,1277 36.268,1278 57,1279 68,1280 0.326,1281 153.478,1282 254.4,1283 366.246,1284 3516,1286 14.698,1287 0.735,1288 0.589,1289 14.698,1290 11.773,1291 9.562,1292 0.455,1293 0.315,1294 6.541,1295 9.248,1296 6.332,1297 5.351,1298 9.562,1299 6.62,1300 8.399,1301 0.29,1302 0.154,1303 8.399,1304 4.475,1305 6.796,1306 0.179,1307 0.081,1308 6.796,1309 3.072,1310 5.965,1311 0.119,1312 0.044,1313 5.965,1314 2.186,1315 4.482,1316 0.076,1317 0.024,1318 4.482,1319 1.397,1320 0.492,1321 59.509,1322 0.275,1323 19.572,1324 0.952,1325 100,1326 255.56,1327 109.131,1328 260.127,1329 364.51,1330 242,1331 117,1332 282.859,1333 125.354,1334 289.33,1335 421.75,1336 273,1337 4.602}
{0 CHEMBL433021,1 1.876,2 9.36,3 2.82,4 7.954,5 106.992,6 9.869,7 0.593,8 3.884,9 3.998,10 3.723,11 3.426,12 5.061,13 3.396,14 4.374,15 4.542,16 4.303,17 3.819,18 5.502,19 3.759,20 4.46,21 4.595,22 4.285,23 3.951,24 5.573,25 3.889,26 4.669,27 4.835,28 4.368,29 4.032,30 5.755,31 3.93,32 4.774,33 4.987,34 4.365,35 4.058,36 5.784,37 3.908,38 4.712,39 4.932,40 4.149,41 3.978,42 5.643,43 3.805,44 4.597,45 4.818,46 4.153,47 3.827,48 5.613,49 3.697,50 4.469,51 4.707,52 4.1,53 3.69,54 5.518,55 3.557,56 0.104,57 0.671,58 5.824,59 3.776,60 11.429,61 4.238,62 0.412,63 1.016,64 26.597,65 7.136,66 28.734,67 7.387,68 0.289,69 1.141,70 13.185,71 7.09,72 16.384,73 7.923,74 0.416,75 1.349,76 32.214,77 9.501,78 28.647,79 11.259,80 0.667,81 1.367,82 34.241,83 10.924,84 45.978,85 12.573,86 0.474,87 1.21,88 51.926,89 11.997,90 33.555,91 13.485,92 0.559,93 1.077,94 41.385,95 9.703,96 42.703,97 10.542,98 0.472,99 0.959,100 32.072,101 8.62,102 34.032,103 10.188,104 41,105 39,106 0.327,107 0.681,108 0.781,109 0.824,110 0.841,111 0.865,112 3.268,113 0.998,114 -3.28,115 -3.27,116 -3.13,118 1,119 37.2,124 3,125 1,139 3,140 2,141 3,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 2,169 1,170 8,172 3,173 3,175 1,178 5,180 1,181 1,182 7,187 1,189 2,191 1,192 1,193 5,195 1,196 1,197 1,198 3,200 2,201 1,204 3,205 1,206 3,207 2,209 1,210 1,212 2,215 2,218 2,221 2,226 1,229 4,231 1,234 5,236 1,237 1,239 1,241 3,243 1,245 2,246 4,248 1,249 1,251 1,254 2,256 1,259 2,260 2,262 1,263 1,265 2,270 2,273 836,274 16.618,275 16.618,276 16.618,277 16.618,278 16.618,279 14.639,280 23.699,281 9.457,282 17.599,283 13.165,284 13.165,285 13.165,286 13.165,287 13.165,288 10.025,289 32.958,290 4.298,291 14.654,292 3.55,293 1.525,294 0.954,295 0.704,296 0.611,297 0.471,298 3.941,301 1,302 1,303 492,304 3.24,306 52.595,307 146.317,310 99.395,314 1.254,315 21.67,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54.25,327 234,328 4.706,329 3.47,330 6.911,331 4.207,332 3.276,333 4.679,334 0.916,335 11.593,336 3.058,337 4.333,338 3.249,339 6.467,340 3.955,341 3.008,342 3.954,343 0.86,344 10.021,345 2.844,346 3.842,347 2.762,348 5.691,349 3.381,350 2.482,351 3.321,352 0.86,353 7.489,354 2.233,355 3.585,356 2.702,357 5.251,358 3.205,359 2.292,360 2.895,361 0.172,362 6.586,363 2.082,364 3.439,365 2.488,366 5.15,367 2.925,368 2.05,369 2.816,371 6.059,372 1.83,373 3.267,374 2.209,375 5.03,376 2.91,377 2.006,378 2.509,380 5.725,381 1.744,382 3.134,383 1.952,384 4.927,385 2.658,386 1.781,387 2.295,389 5.319,390 1.537,391 2.612,392 1.716,393 4.26,394 2.141,395 1.285,396 1.645,398 3.59,399 1.034,400 2.302,401 1.3,402 3.834,403 1.874,404 0.952,405 1.245,407 2.551,408 0.821,409 1.874,410 1.069,411 3.068,412 1.598,413 0.742,414 0.814,415 1.263,416 0.629,417 1.45,418 0.913,419 2.889,420 1.182,421 0.329,422 0.361,423 0.447,424 0.278,425 1.172,426 0.344,427 2.728,428 0.871,429 -0.04,430 -0.045,431 -0.103,432 -0.032,433 1.127,434 0.032,435 2.605,436 0.581,437 -0.249,438 -0.332,439 -0.67,440 -0.177,441 0.758,442 -0.032,443 2.416,444 0.399,445 -0.507,446 -0.594,448 -0.896,449 -0.438,450 0.665,451 -0.311,452 2.279,453 0.299,454 -0.574,455 -0.668,457 -1.342,458 -0.464,459 12.833,460 0.513,461 0.733,462 0.029,463 33.25,464 1.33,465 16.5,466 0.66,467 16.75,468 0.67,469 23.288,470 0.932,471 26.767,472 0.622,473 22.445,474 0.898,475 6.425,476 0.257,477 5.514,478 0.221,479 0.283,481 0.382,485 1.022,486 1.293,487 0.522,488 0.818,489 1.2,490 0.827,491 1.199,492 0.697,493 0.474,494 0.495,495 0.693,496 0.524,497 1.086,498 1.201,499 0.751,500 0.829,501 0.931,502 0.912,503 0.752,504 1.422,505 1.041,506 1.329,507 0.745,508 1.236,509 0.951,510 0.867,511 0.939,512 0.99,513 1.042,514 1.068,515 1.008,516 1.032,517 1.509,518 1.251,519 0.734,520 1.162,521 1.247,522 0.821,523 1.265,524 1,525 1.215,526 0.938,527 0.61,528 0.94,529 0.899,530 0.939,531 0.605,532 0.853,533 6,534 0.091,535 3.111,536 2.729,537 1.858,538 1.164,539 0.505,540 0.457,541 0.326,542 0.178,543 6236,544 20867,545 1.992,546 41.9,548 14,551 4,555 1.685,556 1.807,557 3.186,558 1.855,559 1,560 1,564 80.661,565 1.876,566 3.902,567 4.472,568 4.722,569 4.815,570 4.955,571 2.603,572 4.244,573 4.618,574 3.312,575 993.747,576 8.011,577 11759.5,579 1,581 1,582 233.329,583 1.554,584 4.541,585 0.222,586 0.01,587 0.08,588 0.065,589 0.046,590 0.034,591 0.017,592 0.016,593 0.012,594 0.01,595 0.512,596 0.17,597 1,598 0.971,599 118.705,600 -0.15,601 -0.118,602 0.002,603 0.015,604 -0.26,605 0.028,606 -0.057,607 0.38,608 0.195,609 0.412,610 0.173,611 0.377,612 -0.145,613 -0.086,615 0.048,616 -0.132,617 -0.029,618 0.105,619 -0.379,620 -0.048,621 -0.315,622 0.065,623 -0.269,624 0.002,625 0.125,626 0.007,627 -0.006,628 -0.114,629 -0.093,630 -0.091,631 -0.139,632 -0.128,633 -0.139,634 0.033,635 -0.1,636 -0.111,637 0.097,638 -0.036,639 0.038,640 -0.154,641 0.066,642 0.314,643 -0.03,644 0.118,645 0.067,646 0.326,647 0.176,648 1.492,649 2.079,650 0.6,651 18.342,652 1.015,653 1.13,654 2.05,655 4.201,656 0.704,657 3.332,658 3.689,659 3.989,660 4.29,661 4.489,662 4.554,663 4.575,664 4.635,665 4.625,666 4.605,667 5.558,668 0.661,669 424.36,670 3.332,671 4.89,672 5.759,673 6.663,674 7.552,675 8.461,676 9.357,677 10.267,678 11.167,679 12.078,680 11.6,684 2,686 1,690 2,694 2,695 3,696 2,699 1,700 7,702 16,711 2,714 1,716 2,717 1,718 43,719 16,720 1,721 27,722 1,723 45,724 16,725 12,726 3,727 3,729 3,730 4,741 12,742 4,754 1,757 18,758 7,759 4,760 9,761 2,764 5,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,804 1,805 1,806 3,810 25,811 2,816 1,818 2,821 1,825 1,828 1,829 4.7,834 2,836 13.833,837 8.66,838 5.583,839 2.134,840 3.16,841 1.442,842 0.989,843 5.554,844 10.303,845 3.584,846 4.259,847 4.902,848 5.542,849 6.05,850 6.338,851 6.622,852 6.945,853 7.051,854 7.238,855 1,856 42,857 9.149,859 3.774,860 7.743,861 17.303,863 13.707,865 2.243,866 56.083,869 1,870 164.795,871 116.749,872 148.444,874 22,876 31.278,877 131.425,878 186.795,879 102.49,880 30.162,881 2.106,882 94.223,883 33.888,884 45.354,885 4.227,886 242.027,888 164.795,889 187.961,890 22,891 31.278,892 45.954,893 164.795,894 22,897 5.55,898 148.84,899 33.571,900 77.232,901 164.795,902 124.49,903 162.703,906 164.795,907 58.157,908 61.716,909 45.954,910 121.365,911 164.795,912 124.49,913 162.703,915 0.586,916 0.36,917 0.203,918 0.111,919 19,920 10,921 0.111,922 5,923 1,924 1.133,925 3.507,926 211.158,927 0.133,928 15,929 114.096,930 1,933 18.479,934 7.513,935 3.635,936 1.581,937 124.49,938 5.67,939 8.355,942 1.485,943 4.925,945 65.794,946 451.988,947 35,956 43.654,957 48.578,958 0.346,959 0.719,960 0.824,961 0.87,962 0.887,963 0.913,964 4.836,965 1.285,966 5.778,967 5.319,968 4.369,969 4.945,970 1.698,971 6.642,972 4.181,973 6.082,974 0.952,975 7.376,976 3.59,977 4.111,978 4.956,979 0.325,980 7.647,981 3.843,982 7.423,983 0.742,984 9.071,985 2.551,986 6.019,987 7.26,988 1.422,989 10.77,990 5.699,991 8.801,992 0.329,993 10.82,994 1.263,995 6.538,996 8.07,997 0.393,998 12.599,999 6.149,1000 10.21,1001 -0.04,1002 12.605,1003 0.447,1004 7.964,1005 9.896,1006 1.2,1007 15.264,1008 7.53,1009 11.641,1010 -0.249,1011 14.416,1012 -0.103,1013 8.84,1014 11.086,1015 0.384,1016 17.449,1017 8.339,1018 13.091,1019 -0.507,1020 16.247,1021 -0.67,1022 10.09,1023 12.727,1024 1.01,1025 19.957,1026 9.54,1027 3.276,1028 -0.574,1029 18.093,1030 -0.896,1031 11.128,1032 14.101,1033 0.351,1034 22.289,1035 10.511,1036 3.008,1037 11.593,1038 19.953,1039 -1.342,1040 12.316,1041 15.67,1042 0.845,1043 24.744,1044 11.646,1045 2.482,1046 10.021,1047 21.824,1048 4.679,1049 13.426,1050 17.13,1051 0.312,1052 27.137,1053 12.688,1054 2.292,1055 7.489,1056 23.703,1057 3.954,1058 14.596,1059 18.673,1060 0.702,1061 29.577,1062 13.799,1063 2.05,1064 6.586,1065 25.59,1066 3.321,1067 15.738,1068 20.172,1069 0.273,1070 31.995,1071 14.873,1072 2.006,1073 6.059,1074 27.483,1075 2.895,1076 16.904,1077 21.708,1078 0.579,1079 34.432,1080 15.976,1081 1.781,1082 5.725,1083 29.381,1084 2.816,1085 18.062,1086 23.227,1087 0.236,1088 36.862,1089 17.065,1090 6224,1091 11539,1092 17.224,1093 30.267,1094 40.572,1095 41.592,1096 43.404,1097 40.515,1098 40.406,1099 53.065,1100 5.618,1101 121.284,1102 36.183,1103 5.559,1104 5.47,1105 6.48,1106 5.344,1107 5.276,1108 7.679,1109 1.776,1110 18.657,1111 5.058,1112 15.28,1113 1.503,1114 1.54,1115 1.608,1116 1.501,1117 1.497,1118 1.965,1119 0.208,1120 4.492,1121 1.34,1122 4.076,1123 4.095,1124 6.885,1125 4.072,1126 5.303,1127 4.019,1128 3.918,1129 3.938,1130 4.242,1131 3.827,1132 4.981,1133 3.833,1134 3.491,1135 3.564,1136 3.887,1137 3.285,1138 4.92,1139 3.299,1140 3.327,1141 3.376,1142 3.449,1143 3.153,1144 4.62,1145 3.118,1146 3.273,1147 3.34,1148 3.331,1149 3.012,1150 4.6,1151 3.027,1152 3.137,1153 3.228,1154 3.159,1155 2.866,1156 4.239,1157 2.853,1158 3.072,1159 3.188,1160 3.004,1161 2.82,1162 4.093,1163 2.812,1164 2.818,1165 2.925,1166 2.886,1167 2.643,1168 3.982,1169 2.62,1170 0.174,1171 0.129,1172 0.256,1173 0.156,1174 0.121,1175 4.706,1176 0.173,1177 3.47,1178 0.034,1179 6.911,1180 0.429,1181 4.207,1182 0.113,1183 3.276,1184 4.679,1185 0.916,1186 11.593,1187 3.058,1188 1.898,1189 1.876,1190 1.989,1191 2.032,1192 1.163,1193 2.019,1194 1.809,1195 1.781,1196 1.851,1197 1.961,1198 1.011,1199 1.935,1200 1.514,1201 1.495,1202 1.667,1203 1.696,1204 0.763,1205 1.704,1206 1.254,1207 1.204,1208 1.59,1209 1.564,1210 0.595,1211 1.569,1212 1.217,1213 1.151,1214 1.532,1215 1.443,1216 0.583,1217 1.473,1218 1.126,1219 1.031,1220 1.423,1221 1.412,1222 0.554,1223 1.44,1224 0.977,1225 0.913,1226 1.25,1227 1.287,1228 0.252,1229 1.307,1230 0.89,1231 0.772,1232 1.099,1233 1.138,1234 0.156,1235 1.182,1236 4.007,1238 5.352,1239 2.398,1240 6.893,1241 4.844,1242 8.527,1243 7.034,1244 10.213,1245 3.605,1246 5.252,1250 11.773,1252 0.585,1254 10.793,1257 2.059,1262 28.437,1263 80.661,1264 167.766,1265 192.31,1266 203.065,1267 207.065,1268 213.065,1269 37.487,1270 7.144,1271 99.52,1272 127.76,1273 17,1274 12.595,1275 4.087,1276 3.17,1277 41.577,1278 84,1279 80,1280 0.249,1281 186.585,1282 307.47,1283 447.027,1284 11109,1285 2.3,1286 18.137,1287 0.725,1288 0.658,1289 19.491,1290 16.441,1291 11.939,1292 0.442,1293 0.333,1294 7.327,1295 10.503,1296 6.924,1297 5.795,1298 12.925,1299 8.982,1300 10.901,1301 0.28,1302 0.198,1303 12.548,1304 7.712,1305 9.214,1306 0.174,1307 0.108,1308 10.704,1309 5.718,1310 8.01,1311 0.111,1312 0.06,1313 9.748,1314 4.347,1315 6.232,1316 0.071,1317 0.036,1318 8.006,1319 3.14,1320 0.381,1321 88.373,1322 0.241,1323 23.769,1324 0.716,1325 132,1326 418.546,1327 257.155,1328 458.493,1329 618.07,1330 428,1331 158,1332 415.356,1333 227.826,1334 453.656,1335 665.61,1336 420,1337 5}
{0 CHEMBL433156,1 1.378,2 9.273,3 3.166,4 10.02,5 93.307,6 6.61,7 0.5,8 3.886,9 4.039,10 3.35,11 3.395,12 4.911,13 3.354,14 4.428,15 4.64,16 3.694,17 3.794,18 5.389,19 3.717,20 4.696,21 4.951,22 3.757,23 3.952,24 5.551,25 3.851,26 4.7,27 4.939,28 3.733,29 3.972,30 5.643,31 3.852,32 4.764,33 5.023,34 3.593,35 3.946,36 5.709,37 3.799,38 4.733,39 5.043,40 3.255,41 3.771,42 5.529,43 3.568,44 4.425,45 4.754,46 3.032,47 3.441,48 5.124,49 3.237,50 4.046,51 4.314,52 3.042,53 3.222,54 4.855,55 3.115,56 0.063,57 0.701,58 10.658,59 3.773,60 9.556,61 5.795,62 0.212,63 1.094,64 18.858,65 6.785,66 22.102,67 10.183,68 0.213,69 1.312,70 25.046,71 8.059,72 21.463,73 12.817,74 0.208,75 1.329,76 24.886,77 8.848,78 29.775,79 13.521,80 0.237,81 1.341,82 26.897,83 8.569,84 40.635,85 13.679,86 0.239,87 1.148,88 26.362,89 8.463,90 37.672,91 13.501,92 0.211,93 0.815,94 19.334,95 6.766,96 22.818,97 10.366,98 0.109,99 0.655,100 13.078,101 3.897,102 10.385,103 6.425,104 11,105 33,106 0.241,107 0.589,108 0.748,109 0.801,110 0.801,111 0.801,112 3.147,113 0.995,114 -4.5,115 -4.43,116 -4.17,119 37.8,120 1,121 4,125 2,139 4,140 2,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 7,172 3,173 3,175 1,178 8,180 1,182 6,187 1,189 6,191 1,193 6,195 1,196 1,197 1,198 5,200 2,201 7,204 5,205 1,207 6,212 5,215 10,218 5,226 2,229 6,231 2,233 2,234 1,236 1,237 1,239 2,241 3,243 2,246 1,254 1,260 4,262 1,263 1,265 2,268 2,270 2,273 604,274 15.008,275 15.008,276 15.008,277 15.008,278 15.008,279 13.542,280 19.641,281 8.885,282 15.296,283 11.787,284 11.787,285 11.787,286 11.787,287 11.787,288 9.537,289 26.126,290 4.117,291 12.275,292 4.114,293 2.119,294 1.206,295 0.906,296 0.906,297 0.906,298 3.828,300 1,301 1,302 1,303 436,304 2.121,307 215.308,314 1.521,315 14.424,316 1,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 46.5,327 204,328 4.518,329 3.242,330 6.762,331 4.134,332 3.158,333 4.231,334 0.8,335 11.039,336 3.085,337 4.085,338 3.084,339 6.138,340 3.781,341 2.837,342 3.604,344 9.035,345 2.678,346 3.681,347 2.434,348 5.351,349 3.294,350 2.35,351 3.025,353 6.796,354 2.22,355 3.307,356 2.23,357 5.038,358 2.951,359 2,360 2.553,362 5.707,363 1.895,364 3.241,365 2.047,366 4.811,367 2.895,368 1.94,369 2.456,371 5.216,372 1.851,373 2.903,374 1.76,375 4.428,376 2.656,377 1.684,378 1.965,380 4.346,381 1.63,382 2.5,383 1.259,384 3.521,385 2.114,386 1.146,387 1.5,389 2.693,390 1.106,391 2.252,392 1.077,393 3.414,394 2,395 1,396 1.237,398 2.275,399 1,400 2,401 1,402 3.271,403 1.984,404 1,405 1,407 2.136,408 0.983,409 1.711,410 0.655,411 3.247,412 1.526,413 0.543,414 0.613,415 1.02,416 0.533,417 1.312,418 0.151,419 2.738,420 1.005,421 0.056,422 0.067,423 0.119,424 0.053,425 0.853,426 -0.305,427 2.456,428 0.505,429 -0.457,430 -0.544,431 -1.107,432 -0.429,433 0.809,434 -0.356,435 2.27,436 0.435,437 -0.487,438 -0.59,439 -1.167,440 -0.456,441 0.5,442 -0.691,443 2.052,444 0.116,445 -0.849,446 -0.947,448 -1.88,449 -0.815,450 0.263,451 -0.784,452 2,454 -1,455 -1,457 -2.245,458 -0.946,459 10.5,460 0.477,461 0.486,462 0.022,463 27.75,464 1.261,465 13.5,466 0.614,467 14.25,468 0.648,469 17.994,470 0.818,471 24.3,472 0.54,473 18.132,474 0.824,475 4.981,476 0.226,477 5.705,478 0.259,479 0.124,481 0.324,485 1.139,486 1.363,487 0.945,488 1.097,489 1.253,490 1.015,491 0.683,492 1.063,493 0.879,494 1.045,495 0.378,496 0.994,497 1.128,498 1.011,499 0.925,500 0.899,501 0.746,502 0.89,503 0.789,504 1.172,505 1.016,506 1.178,507 0.654,508 1.131,509 1.238,510 1.157,511 1.218,512 1.179,513 1.42,514 1.193,515 0.995,516 0.942,517 1.056,518 1.017,519 1.199,520 1.039,521 0.356,522 0.755,523 0.716,524 0.864,525 0.573,526 0.836,527 1.136,528 1.194,529 0.93,530 0.996,531 0.961,532 0.948,533 4,534 0.082,535 2.444,536 1.938,537 1.138,538 0.618,539 0.502,540 0.262,541 0.144,542 0.1,543 4866,544 10088,545 2.07,546 51.1,547 5,548 8,551 4,552 2,553 4,555 1.644,556 1.941,557 3.16,558 1.825,559 1,560 1,562 1,564 61.995,565 1.378,566 3.373,567 4.286,568 4.586,569 4.586,570 4.586,571 2.686,572 3.88,573 4.43,574 3.313,575 765.393,576 7.606,577 8321.17,579 1,581 1,582 247.133,583 1.395,584 4.392,585 0.167,586 0.008,587 0.074,588 0.055,589 0.034,590 0.023,591 0.028,592 0.017,593 0.009,594 0.007,595 0.423,596 0.33,597 1,598 0.797,599 100.745,600 -0.104,601 -0.073,602 0.036,603 0.028,604 -0.163,605 0.045,606 0.299,607 0.085,608 0.099,609 0.02,610 0.343,611 0.034,612 -0.104,613 0.041,614 0.059,615 0.107,616 0.025,617 0.102,618 0.078,619 -0.11,620 -0.053,621 -0.13,622 0.205,623 -0.11,624 -0.211,625 -0.122,626 -0.24,627 -0.188,628 -0.184,629 -0.213,630 -0.102,631 -0.046,632 -0.089,633 -0.062,634 -0.168,635 -0.072,636 0.373,637 0.071,638 0.239,639 0.103,640 0.158,641 0.147,642 -0.039,643 -0.181,644 0.063,645 -0.029,646 -0.054,647 0.019,648 1.428,649 2.069,650 0.818,651 17.273,652 0.988,653 1.138,654 3.273,655 10.713,656 0.642,657 3.219,658 3.526,659 3.807,660 4.078,661 4.263,662 4.248,663 4.344,664 4.407,665 4.443,666 4.466,667 5.475,668 0.597,669 297.45,670 3.219,671 4.745,672 5.595,673 6.472,674 7.338,675 8.221,676 9.091,677 9.977,678 10.85,679 11.736,680 11.1,684 2,686 1,690 2,695 4,696 2,700 6,702 12,711 2,714 1,718 45,719 12,720 1,721 24,723 47,724 17,725 10,726 2,727 4,729 3,730 3,734 1,736 3,739 4,741 10,742 7,753 1,754 1,757 23,758 5,759 4,760 5,764 5,769 1,776 1,781 3,802 3,806 1,810 22,811 2,816 6,821 1,836 11.333,837 8.1,838 4.944,839 2.985,840 2.339,841 1.343,842 0.996,843 4.483,844 9.159,845 3.434,846 4.007,847 4.58,848 5.159,849 5.68,850 5.915,851 6.261,852 6.576,853 6.841,854 7.086,855 1,856 35,857 8.119,859 3.373,860 7.545,861 15.944,863 13.133,865 2.045,866 45,867 0.001,869 1,870 223.651,871 77.191,872 102.49,877 77.191,878 223.651,879 102.49,880 8.825,881 14.35,882 103.699,883 33.571,884 15.009,885 4.227,886 223.651,888 223.651,889 179.681,893 176.567,894 47.084,897 27.831,898 118.279,899 33.571,901 223.651,902 102.49,903 77.191,906 223.651,907 30.461,908 49.855,910 99.365,911 223.651,912 102.49,913 77.191,915 0.574,916 0.346,917 0.198,918 0.105,919 16,920 7,921 0.064,922 3,924 1,925 3.405,926 171.8,928 18,929 90.107,933 15.104,934 6.53,935 3.197,937 102.49,938 8.536,939 8.422,943 4.822,945 65.794,946 403.332,947 30,956 44.461,957 51.228,958 0.251,959 0.614,960 0.78,961 0.835,962 0.835,963 0.835,964 4.663,965 1,966 5.572,967 2.693,968 4.205,969 4.691,970 0.673,971 6.385,972 4.127,973 5.851,974 1,975 7.13,976 2.275,977 3.761,978 4.477,979 0.325,980 7.314,981 3.622,982 7.151,983 0.543,984 8.792,985 2.136,986 5.79,987 6.856,988 0.379,989 10.428,990 5.636,991 8.489,992 0.056,993 10.516,994 1.02,995 6.176,996 7.459,997 0.268,998 12.218,999 5.973,1000 9.861,1001 -0.457,1002 12.282,1003 0.119,1004 7.67,1005 9.326,1006 0.239,1007 14.85,1008 7.451,1009 11.257,1010 -0.487,1011 14.076,1012 -1.107,1013 8.45,1014 10.321,1015 0.188,1016 16.994,1017 8.196,1018 12.672,1019 -0.849,1020 15.893,1021 -1.167,1022 9.724,1023 11.964,1024 0.156,1025 19.463,1026 9.451,1027 3.158,1028 -1,1029 17.726,1030 -1.88,1031 10.694,1032 13.164,1033 0.125,1034 21.752,1035 10.394,1036 2.837,1037 11.039,1038 19.571,1039 -2.245,1040 11.877,1041 14.7,1042 0.102,1043 24.167,1044 11.558,1045 2.35,1046 9.035,1047 21.427,1048 4.231,1049 12.935,1050 16.009,1051 0.082,1052 26.516,1053 12.593,1054 2,1055 6.796,1056 23.291,1057 3.604,1058 14.084,1059 17.492,1060 0.066,1061 28.914,1062 13.722,1063 1.94,1064 5.707,1065 25.163,1066 3.025,1067 15.183,1068 18.86,1069 0.054,1070 31.289,1071 14.801,1072 1.684,1073 5.216,1074 27.039,1075 2.553,1076 16.32,1077 20.318,1078 0.043,1079 33.683,1080 15.919,1081 1.146,1082 4.346,1083 28.92,1084 2.456,1085 17.439,1086 21.717,1087 0.035,1088 36.07,1089 17.017,1090 4756,1091 6982,1092 16.008,1093 28.881,1094 35.522,1095 35.422,1096 36.959,1097 35.503,1098 35.43,1099 44.499,1100 1.6,1101 100.764,1102 34.068,1103 5.518,1104 5.242,1105 6.564,1106 5.204,1107 5.158,1108 7.231,1109 1.2,1110 17.923,1111 5.085,1112 9.987,1113 1.48,1114 1.476,1115 1.54,1116 1.479,1117 1.476,1118 1.854,1119 0.067,1120 4.199,1121 1.42,1122 4.026,1123 4.065,1124 3.982,1125 3.94,1126 5.285,1127 3.944,1128 3.842,1129 3.904,1130 3.765,1131 3.689,1132 4.981,1133 3.697,1134 3.681,1135 3.734,1136 3.565,1137 3.561,1138 4.733,1139 3.557,1140 3.392,1141 3.485,1142 3.204,1143 3.191,1144 4.42,1145 3.184,1146 3.124,1147 3.226,1148 3.013,1149 2.941,1150 4.234,1151 2.923,1152 3.111,1153 3.206,1154 2.866,1155 2.905,1156 3.965,1157 2.91,1158 3,1159 3.111,1160 2.832,1161 2.735,1162 3.674,1163 2.721,1164 2.854,1165 2.925,1166 2.687,1167 2.701,1168 3.657,1169 2.715,1170 0.188,1171 0.135,1172 0.282,1173 0.172,1174 0.132,1175 4.518,1176 0.176,1177 3.242,1178 0.033,1179 6.762,1180 0.46,1181 4.134,1182 0.129,1183 3.158,1184 4.231,1185 0.8,1186 11.039,1187 3.085,1188 1.976,1189 1.947,1190 2.09,1191 2.09,1192 1.404,1193 2.09,1194 1.811,1195 1.754,1196 1.997,1197 1.991,1198 1.186,1199 1.993,1200 1.669,1201 1.618,1202 1.858,1203 1.817,1204 1.013,1205 1.832,1206 1.381,1207 1.296,1208 1.622,1209 1.633,1210 0.825,1211 1.652,1212 1.153,1213 1.064,1214 1.513,1215 1.378,1216 0.658,1217 1.429,1218 1.059,1219 0.98,1220 1.33,1221 1.376,1222 0.524,1223 1.364,1224 0.933,1225 0.821,1226 1.259,1227 1.266,1228 0.218,1229 1.285,1230 0.886,1231 0.82,1232 1.181,1233 1.075,1234 0.131,1235 1.107,1236 3.892,1238 5.198,1240 6.72,1242 8.338,1244 10.005,1246 2.048,1250 11.764,1252 6.966,1257 2.441,1262 26.848,1263 61.995,1264 151.775,1265 192.869,1266 206.379,1267 206.379,1268 206.379,1269 29.161,1270 6.82,1271 81.06,1272 81.06,1273 18,1274 12.27,1275 3.7,1276 2.807,1277 34.517,1278 72,1279 70,1280 0.24,1281 168.067,1282 282.94,1283 401.844,1284 7402,1286 15.527,1287 0.706,1288 0.593,1289 15.527,1290 13.048,1291 10.686,1292 0.445,1293 0.332,1294 7.882,1295 10.382,1296 7.691,1297 6.414,1298 10.686,1299 7.96,1300 9.372,1301 0.284,1302 0.174,1303 9.372,1304 5.737,1305 7.882,1306 0.179,1307 0.096,1308 7.882,1309 4.241,1310 6.922,1311 0.119,1312 0.054,1313 6.922,1314 3.108,1315 5.413,1316 0.077,1317 0.031,1318 5.413,1319 2.154,1320 0.371,1321 66.084,1322 0.25,1323 21.611,1324 0.673,1325 114,1326 263.56,1327 122.798,1328 265.954,1329 377.54,1330 250,1331 134,1332 294.141,1333 142.493,1334 299.662,1335 439.73,1336 284,1337 4.602}
{0 CHEMBL434097,1 1.591,2 9.4,3 2.668,4 7.118,5 100.428,6 7.379,7 0.63,8 3.934,9 4.064,10 3.486,11 3.397,12 5.106,13 3.4,14 4.423,15 4.608,16 3.822,17 3.751,18 5.535,19 3.742,20 4.556,21 4.718,22 3.938,23 3.932,24 5.638,25 3.904,26 4.741,27 4.937,28 3.942,29 4.012,30 5.8,31 3.942,32 4.885,33 5.126,34 3.808,35 4.02,36 5.873,37 3.913,38 4.833,39 5.096,40 3.688,41 3.938,42 5.718,43 3.814,44 4.732,45 4.99,46 3.619,47 3.82,48 5.684,49 3.716,50 4.611,51 4.877,52 3.587,53 3.684,54 5.601,55 3.586,56 0.059,57 0.697,58 9.752,59 3.686,60 11.545,61 5.05,62 0.334,63 1.032,64 18.039,65 6.069,66 29,67 8.234,68 0.231,69 1.231,70 19.388,71 6.94,72 17.576,73 9.699,74 0.265,75 1.394,76 24.266,77 8.813,78 30.2,79 12.604,80 0.598,81 1.472,82 30.357,83 9.238,84 52.752,85 13.681,86 0.353,87 1.311,88 29.517,89 9.77,90 37.263,91 14.422,92 0.421,93 1.173,94 26.963,95 8.369,96 45.113,97 12.218,98 0.392,99 1.028,100 23.96,101 7.543,102 37.864,103 11.357,104 30,105 38,106 0.273,107 0.624,108 0.756,109 0.836,110 0.851,111 0.873,112 3.268,113 0.863,114 -3.71,115 -3.68,116 -3.5,119 39.1,124 3,125 1,139 6,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 8,172 3,173 3,175 1,178 5,180 1,181 1,182 9,187 1,189 3,191 1,192 1,193 5,195 1,196 1,197 1,198 4,200 2,201 1,204 4,205 1,206 3,207 3,209 1,210 1,212 3,215 3,218 3,221 3,226 1,229 4,231 1,234 5,236 1,237 1,239 1,241 4,243 1,245 2,246 4,248 1,249 1,251 1,254 2,256 1,259 2,260 3,262 1,263 1,265 2,268 1,270 2,273 839,274 16.826,275 16.826,276 16.826,277 16.826,278 16.826,279 14.769,280 23.409,281 9.726,282 17.452,283 13.181,284 13.181,285 13.181,286 13.181,287 13.181,288 9.962,289 33.886,290 4.419,291 14.006,292 3.933,293 1.893,294 1.126,295 0.658,296 0.571,297 0.441,298 3.946,300 1,301 1,302 1,303 495,304 3.162,307 202.773,311 105.253,314 1.264,315 19.943,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54.5,327 235,328 4.618,329 3.345,330 6.775,331 4.155,332 3.181,333 4.574,334 0.916,335 11.097,336 3.101,337 4.333,338 3.189,339 6.467,340 3.955,341 3.005,342 3.954,343 0.86,344 10.02,345 2.849,346 3.74,347 2.734,348 5.403,349 3.34,350 2.403,351 3.186,352 0.86,353 6.973,354 2.249,355 3.578,356 2.597,357 5.237,358 3.186,359 2.262,360 2.896,361 0.172,362 6.54,363 2.083,364 3.452,365 2.328,366 5.062,367 2.973,368 2.033,369 2.857,371 5.833,372 1.915,373 3.249,374 2.078,375 5.027,376 2.915,377 1.991,378 2.438,380 5.698,381 1.828,382 3.05,383 1.91,384 4.723,385 2.654,386 1.698,387 2.229,389 4.809,390 1.616,391 2.665,392 1.345,393 3.845,394 2.2,395 1.22,396 1.734,398 2.849,399 1.194,400 2.358,401 1.243,402 3.681,403 1.972,404 1,405 1.317,407 2.594,408 0.97,409 1.877,410 1.089,411 3.057,412 1.604,413 0.746,414 0.818,415 1.266,416 0.634,417 1.451,418 0.913,419 2.861,420 1.184,421 0.33,422 0.361,423 0.448,424 0.279,425 1.285,426 0.265,427 2.721,428 0.916,429 -0.037,430 -0.044,431 -0.098,432 -0.035,433 1.217,434 -0.013,435 2.598,436 0.812,437 -0.135,438 -0.183,439 -0.34,440 -0.128,441 0.853,442 -0.055,443 2.416,444 0.44,445 -0.478,446 -0.585,448 -0.898,449 -0.434,450 0.738,451 -0.309,452 2.274,453 0.385,454 -0.527,455 -0.622,457 -1.22,458 -0.475,459 11.667,460 0.467,461 0.644,462 0.026,463 35.25,464 1.41,465 18.5,466 0.74,467 16.75,468 0.67,469 18.09,470 0.724,471 27.333,472 0.594,473 26.929,474 1.077,475 7.316,476 0.293,477 4.712,478 0.188,479 0.197,481 0.377,485 1.031,486 1.392,487 0.827,488 1.135,489 1.212,490 0.963,491 1.243,492 0.787,493 0.791,494 0.704,495 0.711,496 0.685,497 1.056,498 1.268,499 0.983,500 1.111,501 0.911,502 1.043,503 0.789,504 1.366,505 1.011,506 1.319,507 0.701,508 1.229,509 1.052,510 0.915,511 1.222,512 1.04,513 1.232,514 1.131,515 0.911,516 0.986,517 0.966,518 1.037,519 0.754,520 1.02,521 1.182,522 0.846,523 1.023,524 0.912,525 1.161,526 0.941,527 0.747,528 0.934,529 0.773,530 0.931,531 0.667,532 0.873,533 5.5,534 0.103,535 2.889,536 2.375,537 1.791,538 1.021,539 0.489,540 0.368,541 0.288,542 0.195,543 6347,544 17779,545 2.015,546 45.7,548 17,551 4,555 1.685,556 1.852,557 3.192,558 1.776,559 1,560 1,564 73.177,565 1.591,566 3.631,567 4.398,568 4.866,569 4.953,570 5.083,571 2.593,572 4.214,573 4.619,574 3.324,575 997.17,576 8.009,577 11870,579 1,581 1,582 254.084,583 1.516,584 4.555,585 0.204,586 0.01,587 0.076,588 0.057,589 0.045,590 0.031,591 0.016,592 0.013,593 0.011,594 0.01,595 0.472,596 0.17,597 1,598 0.942,599 118.957,600 -0.109,601 -0.157,602 0.039,603 -0.063,604 -0.236,605 0.01,606 -0.046,607 0.312,608 0.166,609 0.303,610 0.168,611 0.269,612 -0.102,613 -0.108,614 -0.086,615 -0.066,616 -0.106,617 -0.071,618 0.047,619 -0.296,620 -0.099,621 -0.281,622 0.102,623 -0.234,624 -0.066,625 0.102,626 -0.249,627 -0.087,628 -0.226,629 -0.178,630 -0.051,631 -0.08,632 0.013,633 -0.034,634 0.031,635 -0.004,636 -0.124,637 0.07,638 -0.019,639 0.062,640 -0.135,641 0.044,642 0.208,643 -0.042,644 0.232,645 0.05,646 0.252,647 0.13,648 1.495,649 2.08,650 0.64,651 17.898,652 1.005,653 1.135,654 2.482,655 6.161,656 0.653,657 3.332,658 3.664,659 3.951,660 4.234,661 4.443,662 4.489,663 4.477,664 4.554,665 4.615,666 4.615,667 5.612,668 0.625,669 339.44,670 3.332,671 4.875,672 5.733,673 6.624,674 7.499,675 8.395,676 9.275,677 10.172,678 11.054,679 11.952,680 10.9,684 2,686 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,714 1,716 2,718 46,719 17,720 2,721 27,723 48,724 18,725 14,726 6,727 6,729 3,730 4,741 14,742 4,753 1,754 1,757 21,758 7,759 4,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 3,810 25,811 2,816 1,818 2,821 1,829 4.3,834 2,836 13.5,837 9.1,838 5.639,839 2.342,840 3.423,841 1.479,842 0.98,843 5.039,844 10.568,845 3.597,846 4.248,847 4.883,848 5.502,849 6.059,850 6.314,851 6.581,852 6.93,853 7.295,854 7.407,855 1,856 42,857 9.146,859 3.749,860 7.733,861 17.308,863 13.591,865 2.233,866 55.833,869 1,870 200.109,871 114.499,872 102.49,874 22,877 114.499,878 222.109,879 102.49,880 30.162,881 2.106,882 122.652,883 33.571,884 46.27,885 4.227,886 200.109,888 200.109,889 216.989,890 22,893 200.109,894 22,897 6.149,898 177.269,899 33.571,901 200.109,902 124.49,903 114.499,906 200.109,907 27.479,908 90.144,910 121.365,911 200.109,912 124.49,913 114.499,915 0.579,916 0.354,917 0.2,918 0.109,919 18,920 9,921 0.104,922 5,923 1,924 1.125,925 3.542,926 208.927,927 0.125,928 16,929 116.096,933 17.421,934 7.231,935 3.512,936 1.541,937 124.49,938 11.484,939 8.347,943 3.985,945 65.794,946 439.097,947 35.5,956 46.232,957 52.232,958 0.288,959 0.657,960 0.796,961 0.881,962 0.897,963 0.92,964 4.83,965 1.22,966 5.733,967 4.809,968 4.344,969 4.934,970 1.698,971 6.572,972 4.236,973 6.06,974 1,975 7.313,976 2.849,977 4.007,978 4.856,979 0.325,980 7.538,981 3.85,982 7.386,983 0.746,984 8.99,985 2.594,986 5.964,987 7.223,988 1.422,989 10.649,990 5.773,991 8.75,992 0.33,993 10.725,994 1.266,995 6.415,996 7.949,997 0.393,998 12.437,999 6.181,1000 10.143,1001 -0.037,1002 12.498,1003 0.448,1004 7.867,1005 9.818,1006 1.2,1007 15.082,1008 7.61,1009 11.56,1010 -0.135,1011 14.297,1012 -0.098,1013 8.689,1014 10.939,1015 0.384,1016 17.221,1017 8.396,1018 12.995,1019 -0.478,1020 16.116,1021 -0.34,1022 9.944,1023 12.599,1024 1.01,1025 19.701,1026 9.63,1027 3.181,1028 -0.527,1029 17.951,1030 -0.898,1031 10.94,1032 13.92,1033 0.351,1034 21.986,1035 10.595,1036 3.005,1037 11.097,1038 19.798,1039 -1.22,1040 12.119,1041 15.489,1042 0.845,1043 24.406,1044 11.751,1045 2.403,1046 10.02,1047 21.656,1048 4.574,1049 13.195,1050 16.908,1051 0.312,1052 26.751,1053 12.798,1054 2.262,1055 6.973,1056 23.522,1057 3.954,1058 14.347,1059 18.44,1060 0.702,1061 29.149,1062 13.926,1063 2.033,1064 6.54,1065 25.395,1066 3.186,1067 15.458,1068 19.906,1069 0.273,1070 31.52,1071 15.009,1072 1.991,1073 5.833,1074 27.274,1075 2.896,1076 16.601,1077 21.423,1078 0.579,1079 33.912,1080 16.127,1081 1.698,1082 5.698,1083 29.156,1084 2.857,1085 17.728,1086 22.912,1087 0.236,1088 36.295,1089 17.228,1090 6301,1091 10653,1092 17.512,1093 30.029,1094 39.819,1095 40.631,1096 42.351,1097 39.66,1098 39.737,1099 52.73,1100 5.618,1101 116.254,1102 37.435,1103 5.461,1104 5.345,1105 6.343,1106 5.226,1107 5.181,1108 7.574,1109 1.776,1110 18.073,1111 5.101,1112 14.048,1113 1.475,1114 1.505,1115 1.569,1116 1.469,1117 1.472,1118 1.953,1119 0.208,1120 4.306,1121 1.386,1122 4.084,1123 4.118,1124 4.052,1125 3.994,1126 5.306,1127 4.004,1128 3.921,1129 3.942,1130 3.877,1131 3.823,1132 4.982,1133 3.832,1134 3.517,1135 3.589,1136 3.437,1137 3.304,1138 4.92,1139 3.33,1140 3.385,1141 3.458,1142 3.264,1143 3.187,1144 4.694,1145 3.195,1146 3.307,1147 3.361,1148 3.152,1149 3.017,1150 4.603,1151 3.039,1152 3.144,1153 3.238,1154 3.004,1155 2.9,1156 4.252,1157 2.908,1158 3.121,1159 3.224,1160 2.886,1161 2.864,1162 4.152,1163 2.852,1164 2.918,1165 3.029,1166 2.721,1167 2.656,1168 4.033,1169 2.665,1170 0.171,1171 0.124,1172 0.251,1173 0.154,1174 0.118,1175 4.618,1176 0.169,1177 3.345,1178 0.034,1179 6.775,1180 0.411,1181 4.155,1182 0.115,1183 3.181,1184 4.574,1185 0.916,1186 11.097,1187 3.101,1188 2.027,1189 2.001,1190 2.095,1191 2.137,1192 1.265,1193 2.125,1194 1.876,1195 1.857,1196 1.966,1197 2.001,1198 1.08,1199 1.99,1200 1.444,1201 1.374,1202 1.675,1203 1.697,1204 0.779,1205 1.69,1206 1.34,1207 1.27,1208 1.59,1209 1.586,1210 0.585,1211 1.585,1212 1.231,1213 1.169,1214 1.535,1215 1.555,1216 0.555,1217 1.564,1218 1.128,1219 1.035,1220 1.528,1221 1.424,1222 0.506,1223 1.464,1224 1.069,1225 0.987,1226 1.369,1227 1.384,1228 0.425,1229 1.374,1230 0.894,1231 0.777,1232 1.25,1233 1.208,1234 0.17,1235 1.252,1236 4.007,1238 5.333,1240 6.868,1242 8.504,1244 10.193,1246 5.259,1250 11.774,1252 0.596,1254 10.789,1257 2.061,1262 28.751,1263 73.177,1264 167.011,1265 202.309,1266 223.819,1267 227.819,1268 233.819,1269 35.612,1270 7.145,1271 99.52,1272 99.52,1273 18,1274 12.478,1275 4.17,1276 3.248,1277 41.582,1278 85,1279 80,1280 0.245,1281 179.797,1282 301.64,1283 430.465,1284 11532,1286 17.974,1287 0.719,1288 0.579,1289 17.974,1290 14.484,1291 12.028,1292 0.445,1293 0.288,1294 7.604,1295 11.413,1296 7.316,1297 6.156,1298 12.028,1299 7.769,1300 10.715,1301 0.282,1302 0.149,1303 10.715,1304 5.672,1305 9.039,1306 0.177,1307 0.08,1308 9.039,1309 4.06,1310 7.882,1311 0.116,1312 0.042,1313 7.882,1314 2.871,1315 6.113,1316 0.073,1317 0.022,1318 6.113,1319 1.886,1320 0.376,1321 76.454,1322 0.239,1323 23.829,1324 0.699,1325 130,1326 391.031,1327 144.222,1328 376.877,1329 520.72,1330 354,1331 154,1332 388.88,1333 168.196,1334 398.853,1335 578.67,1336 370,1337 4.076}
{0 CHEMBL434209,1 1.651,2 14.629,3 2.699,4 7.285,5 126.42,6 8.077,7 0.324,8 4.173,9 4.278,10 3.775,11 3.684,12 5.45,13 3.693,14 4.666,15 4.815,16 4.139,17 4.048,18 6.026,19 4.035,20 4.956,21 5.13,22 4.221,23 4.218,24 6.207,25 4.189,26 5.071,27 5.272,28 4.2,29 4.25,30 6.305,31 4.203,32 5.049,33 5.239,34 4.192,35 4.244,36 6.421,37 4.188,38 5.003,39 5.203,40 4.144,41 4.203,42 6.445,43 4.132,44 4.908,45 5.108,46 4.043,47 4.108,48 6.254,49 4.044,50 4.823,51 5.031,52 3.95,53 3.959,54 6.127,55 3.923,56 0.175,57 0.843,58 10.324,59 5.041,60 32.063,61 5.893,62 0.536,63 1.328,64 19.207,65 8.063,66 87.198,67 10.323,68 0.711,69 1.663,70 28.3,71 10.368,72 113.802,73 13.005,74 0.867,75 1.748,76 34.705,77 12.028,78 143.015,79 15.316,80 0.987,81 1.668,82 33.769,83 12.557,84 186.225,85 15.898,86 1.083,87 1.608,88 32.558,89 12.291,90 178.014,91 15.976,92 0.734,93 1.464,94 29.301,95 11.199,96 145.689,97 14.599,98 0.663,99 1.359,100 27.566,101 9.053,102 111.807,103 11.736,104 82,105 51,106 0.266,107 0.668,108 0.826,109 0.885,110 0.891,111 0.891,112 3.588,113 0.868,114 -3.69,115 -3.65,116 -3.48,119 42.4,120 1,121 2,125 2,127 1,137 1,138 1,139 7,140 3,141 2,153 5,161 2,165 2,166 10,167 1,170 10,173 5,175 5,176 1,178 8,179 2,182 12,185 1,186 1,187 6,189 4,190 1,192 1,193 11,194 1,198 5,199 1,201 8,202 1,203 1,206 1,207 3,208 2,210 2,211 1,212 2,213 2,215 18,216 2,220 4,221 2,222 1,224 4,225 1,226 2,229 21,230 3,233 1,234 3,237 1,239 3,241 11,242 2,246 12,247 1,251 7,254 2,255 2,259 1,260 12,263 1,265 8,273 2423,274 22.955,275 22.955,276 22.955,277 22.955,278 22.955,279 20.492,280 31.318,281 13.573,282 23.204,283 18.203,284 18.203,285 18.203,286 18.203,287 18.203,288 14.317,289 38.428,290 6.367,291 18.593,292 4.231,293 1.734,294 0.753,295 0.386,296 0.352,297 0.352,298 4.266,301 1,302 1,303 1061,304 4.95,307 358.674,311 192.431,314 2.325,315 55.896,318 1,319 0.5,320 0.83,321 0.8,322 0.5,323 0.83,324 0.5,325 0.71,326 78,327 512,328 4.444,329 3.777,330 6.503,331 4.071,332 3.085,333 4.084,334 2.375,335 10.183,336 3.041,337 4.24,338 3.651,339 6.193,340 3.914,341 2.933,342 3.801,343 2.341,344 9.219,345 2.884,346 3.996,347 3.592,348 6.081,349 3.763,350 2.802,351 3.265,352 1.434,353 8.798,354 2.685,355 3.831,356 3.522,357 5.818,358 3.569,359 2.574,360 3.096,361 1.102,362 7.845,363 2.541,364 3.708,365 3.223,366 5.297,367 3.312,368 2.334,369 2.986,370 1.061,371 6.807,372 2.284,373 3.524,374 2.909,375 5.062,376 3.178,377 2.172,378 2.705,379 0.981,380 5.804,381 2.155,382 3.477,383 2.688,384 4.973,385 3.012,386 2.036,387 2.686,388 0.461,389 5.761,390 1.974,391 3.468,392 2.337,393 4.645,394 2.935,395 1.957,396 2.474,397 0.14,398 5.121,399 1.902,400 3.28,401 2.279,402 4.442,403 2.67,404 1.687,405 2.193,406 0.135,407 4.393,408 1.648,409 2.964,410 2.139,411 4.11,412 2.35,413 1.362,414 1.87,415 3.465,416 1.332,417 2.554,418 1.914,419 3.709,420 2.127,421 1.114,422 1.5,423 2.57,424 1.113,425 2.531,426 1.339,427 3.61,428 2.017,429 1.008,430 1.488,431 2.565,432 1.012,433 2.5,434 1.245,435 3.414,436 2,437 1,438 1.4,439 2.275,440 1,441 2.411,442 1.104,443 3.155,444 1.839,445 0.859,446 1.201,448 1.629,449 0.839,450 1.57,451 1,452 2.89,453 1.343,454 0.342,455 0.385,457 0.776,458 0.336,459 16.1,460 0.46,461 1,462 0.029,463 44.75,464 1.279,465 22.5,466 0.643,467 22.25,468 0.636,469 29.611,470 0.846,471 37.9,472 0.642,473 41.188,474 1.177,475 9.304,476 0.266,477 7.368,478 0.211,479 0.186,481 0.366,485 0.791,486 1.277,487 0.755,488 1.028,489 0.692,490 0.903,491 0.492,492 1.203,493 0.764,494 1.053,495 0.437,496 0.984,497 0.987,498 1.138,499 1.065,500 1.046,501 0.934,502 1.059,503 1.069,504 0.972,505 1.06,506 0.966,507 1.023,508 0.995,509 0.91,510 0.977,511 1.015,512 1.024,513 0.995,514 1.051,515 0.621,516 0.803,517 0.941,518 0.98,519 0.721,520 1.037,521 0.752,522 1.074,523 0.926,524 1.094,525 0.798,526 1.069,527 1.11,528 1.073,529 1.021,530 0.971,531 1.034,532 0.965,533 8.5,534 0.276,535 4.222,536 2.313,537 2.28,538 1.236,539 0.831,540 0.656,541 0.537,542 0.288,543 18097,544 63846,545 1.962,546 40.7,548 12,549 1,551 4,552 5,553 2,555 1.766,556 1.795,557 3.791,558 1.548,560 1,564 97.431,565 1.651,566 4.148,567 5.13,568 5.497,569 5.531,570 5.531,571 3.254,572 4.765,573 5.099,574 4.006,575 2383.37,576 8.945,577 38858.7,582 347.076,583 1.54,584 5.033,585 0.23,586 0.009,587 0.083,588 0.043,589 0.044,590 0.024,591 0.017,592 0.015,593 0.013,594 0.008,595 0.486,596 0.17,597 0.75,598 1.759,599 192.273,600 -0.111,601 -0.094,602 -0.007,603 0.024,604 -0.088,605 0.034,606 0.206,607 -0.065,608 0.066,609 -0.043,610 0.174,611 -0.03,612 -0.128,613 -0.06,614 -0.16,615 -0.066,616 -0.117,617 -0.109,618 -0.148,619 0.027,620 -0.089,621 0.016,622 -0.122,623 -0.01,624 0.028,625 -0.016,626 -0.048,627 -0.009,628 -0.01,629 -0.044,630 0.244,631 0.166,632 0.025,633 0.035,634 0.158,635 -0.017,636 0.074,637 -0.121,638 0.034,639 -0.066,640 0.05,641 -0.035,642 -0.165,643 -0.079,644 -0.029,645 -0.006,646 -0.088,647 0.017,648 2.976,649 5.476,650 0.457,651 43.734,652 1.02,653 1.125,654 2.456,655 6.032,656 0.667,657 3.638,658 3.951,659 4.159,660 4.382,661 4.615,662 4.673,663 4.754,664 4.844,665 4.99,666 4.949,667 8.525,668 0.655,669 476.53,670 3.638,671 5.176,672 6.004,673 6.872,674 7.723,675 8.594,676 9.454,677 10.327,678 11.191,679 12.066,680 6.8,686 1,687 2,689 1,695 7,700 5,702 12,707 2,714 1,718 59,719 18,720 2,721 37,723 61,724 25,725 12,726 5,727 7,728 3,729 3,730 4,734 1,739 3,740 2,741 17,742 6,744 5,748 4,750 1,751 5,757 24,758 10,759 4,760 10,764 4,766 1,769 0.667,770 6,781 3,785 1,788 1,789 1,792 2,800 2,802 2,806 1,810 35,815 2,816 4,817 2,820 1,821 1,823 1,824 1,827 1,829 10.2,831 2,832 4,836 19.5,837 10.717,838 7.806,839 3.283,840 2.785,841 1.36,842 0.921,843 8.51,844 10.511,845 3.932,846 4.443,847 4.887,848 5.397,849 5.924,850 6.164,851 6.482,852 6.723,853 7.137,854 7.261,855 0.9,856 54,857 13.009,859 5.63,860 8.257,861 23.545,863 18.789,865 2.757,866 96.5,870 235.422,871 153.418,872 55.931,874 185.946,877 153.418,878 421.368,879 55.931,880 8.825,881 45.302,882 66.334,883 199.503,884 34.98,885 52.123,886 223.651,888 235.422,889 209.35,890 185.946,893 211.88,894 209.489,897 70.913,898 121.406,899 17.031,901 235.422,902 241.878,903 153.418,906 235.422,907 37.908,908 78.283,909 53.052,910 226.053,911 235.422,912 241.878,913 153.418,915 0.579,916 0.324,917 0.169,918 0.098,919 21,920 12,921 0.164,922 10,923 1,924 1.125,925 4.456,926 312.107,927 0.125,928 16,929 175.525,933 25.798,934 11.546,935 6.844,937 241.878,938 11.815,943 2.841,945 121.388,946 630.718,947 50,951 46.805,953 4.324,954 -2.78,956 60.207,957 66.402,958 0.281,959 0.705,960 0.872,961 0.934,962 0.94,963 0.94,964 5.182,965 1.957,966 5.999,967 5.761,968 4.635,969 5.13,970 3.369,971 6.786,972 4.594,973 6.389,974 1.687,975 7.551,976 5.121,977 4.29,978 4.945,979 2.98,980 7.647,981 4.233,982 7.69,983 1.362,984 9.199,985 4.393,986 6.213,987 7.202,988 4.496,989 10.698,990 6.127,991 9.015,992 1.114,993 10.9,994 3.465,995 6.621,996 7.763,997 4.869,998 12.341,999 6.522,1000 10.364,1001 1.008,1002 12.636,1003 2.57,1004 8.054,1005 9.554,1006 5.984,1007 14.916,1008 7.928,1009 11.731,1010 1,1011 14.394,1012 2.565,1013 8.811,1014 10.479,1015 6.646,1016 16.901,1017 8.672,1018 13.113,1019 0.859,1020 16.169,1021 2.275,1022 10.043,1023 12.071,1024 7.616,1025 19.296,1026 9.881,1027 3.085,1028 0.342,1029 17.957,1030 1.629,1031 10.972,1032 13.194,1033 8.39,1034 21.44,1035 10.796,1036 2.933,1037 10.183,1038 19.755,1039 0.776,1040 12.119,1041 14.688,1042 9.299,1043 23.766,1044 11.923,1045 2.802,1046 9.219,1047 21.561,1048 4.084,1049 13.132,1050 15.925,1051 10.12,1052 25.985,1053 12.922,1054 2.574,1055 8.798,1056 23.374,1057 3.801,1058 14.245,1059 17.369,1060 11.001,1061 28.286,1062 14.017,1063 2.334,1064 7.845,1065 25.192,1066 3.265,1067 15.301,1068 18.671,1069 11.843,1070 30.543,1071 15.059,1072 2.172,1073 6.807,1074 27.015,1075 3.096,1076 16.402,1077 20.089,1078 12.712,1079 32.838,1080 16.144,1081 2.036,1082 5.804,1083 28.842,1084 2.986,1085 17.479,1086 21.43,1087 13.563,1088 35.114,1089 17.207,1090 17971,1091 33875,1092 23.581,1093 39.364,1094 56.764,1095 57.964,1096 57.103,1097 54.918,1098 54.85,1099 70.659,1100 20.058,1101 155.176,1102 53.806,1103 5.355,1104 5.777,1105 6.267,1106 5.142,1107 5.085,1108 7.084,1109 3.989,1110 17.077,1111 5.041,1112 23.358,1113 1.534,1114 1.567,1115 1.543,1116 1.484,1117 1.482,1118 1.91,1119 0.542,1120 4.194,1121 1.454,1122 4.032,1123 4.064,1124 3.987,1125 3.942,1126 7.478,1127 3.948,1128 3.929,1129 3.957,1130 3.884,1131 3.847,1132 7.471,1133 3.851,1134 3.764,1135 3.803,1136 3.679,1137 3.589,1138 7.43,1139 3.602,1140 3.604,1141 3.656,1142 3.525,1143 3.447,1144 7.427,1145 3.457,1146 3.484,1147 3.534,1148 3.405,1149 3.337,1150 6.352,1151 3.344,1152 3.439,1153 3.453,1154 3.365,1155 3.179,1156 6.35,1157 3.223,1158 3.218,1159 3.24,1160 3.168,1161 3.028,1162 5.43,1163 3.047,1164 3.169,1165 3.199,1166 3.082,1167 2.957,1168 4.846,1169 2.98,1170 0.12,1171 0.102,1172 0.176,1173 0.11,1174 0.083,1175 4.444,1176 0.11,1177 3.777,1178 0.064,1179 6.503,1180 0.275,1181 4.071,1182 0.082,1183 3.085,1184 4.084,1185 2.375,1186 10.183,1187 3.041,1188 1.972,1189 1.946,1190 2.062,1191 2.082,1192 1.232,1193 2.076,1194 1.903,1195 1.88,1196 1.996,1197 2.014,1198 1.216,1199 2.007,1200 1.704,1201 1.663,1202 1.897,1203 1.905,1204 1.092,1205 1.9,1206 1.559,1207 1.509,1208 1.744,1209 1.751,1210 0.851,1211 1.751,1212 1.455,1213 1.4,1214 1.67,1215 1.637,1216 0.74,1217 1.643,1218 1.304,1219 1.284,1220 1.471,1221 1.593,1222 0.58,1223 1.555,1224 1.157,1225 1.112,1226 1.399,1227 1.373,1228 0.523,1229 1.379,1230 1.073,1231 1.045,1232 1.265,1233 1.342,1234 0.274,1235 1.298,1236 4.317,1238 5.631,1240 7.127,1242 8.711,1244 10.345,1246 1.713,1251 17.996,1252 0.055,1253 5.027,1256 -1.314,1257 1.881,1259 5.545,1261 2.595,1262 38.642,1263 97.431,1264 244.753,1265 302.67,1266 324.321,1267 326.321,1268 326.321,1269 111.828,1270 7.726,1271 152.69,1272 152.69,1273 18,1274 12.608,1275 4.248,1276 3.807,1277 70.729,1278 179,1279 172,1280 0.189,1281 241.497,1282 444.6,1283 581.013,1284 25245,1286 25.535,1287 0.73,1288 0.541,1289 25.535,1290 18.946,1291 16.672,1292 0.451,1293 0.289,1294 10.547,1295 15.956,1296 10.307,1297 8.535,1298 16.672,1299 10.711,1300 15.304,1301 0.3,1302 0.155,1303 15.304,1304 7.907,1305 11.682,1306 0.185,1307 0.084,1308 11.682,1309 5.289,1310 9.456,1311 0.12,1312 0.045,1313 9.456,1314 3.561,1315 7.682,1316 0.077,1317 0.024,1318 7.682,1319 2.388,1320 0.305,1321 105.295,1322 0.206,1323 32.652,1324 0.499,1325 176,1326 625.197,1327 197.916,1328 598.657,1329 778.42,1330 550,1331 202,1332 539.465,1333 221.07,1334 544.229,1335 784.5,1336 509,1337 5.575}
{0 CHEMBL435479,1 1.616,2 11.733,3 2.722,4 7.409,5 117.021,6 7.651,7 0.667,8 4.091,9 4.222,10 3.676,11 3.555,12 5.273,13 3.568,14 4.578,15 4.756,16 4.029,17 3.924,18 5.71,19 3.924,20 4.712,21 4.879,22 4.13,23 4.074,24 5.809,25 4.058,26 4.876,27 5.059,28 4.165,29 4.158,30 6.013,31 4.11,32 5.043,33 5.285,34 4.027,35 4.161,36 6.045,37 4.081,38 4.944,39 5.191,40 3.898,41 4.061,42 5.899,43 3.965,44 4.862,45 5.107,46 3.782,47 3.976,48 5.801,49 3.875,50 4.786,51 5.045,52 3.716,53 3.903,54 5.704,55 3.788,56 0.088,57 0.841,58 10.691,59 4.038,60 13.225,61 5.446,62 0.385,63 1.256,64 19.996,65 6.852,66 32.281,67 9.185,68 0.32,69 1.463,70 21.733,71 7.632,72 19.873,73 10.648,74 0.451,75 1.642,76 26.386,77 9.689,78 41.085,79 13.346,80 0.71,81 1.716,82 35.332,83 10.138,84 61.725,85 14.913,86 0.537,87 1.505,88 32.374,89 10.435,90 49.236,91 14.902,92 0.534,93 1.365,94 30.117,95 9.546,96 47.846,97 13.646,98 0.398,99 1.269,100 27.974,101 9.494,102 39.785,103 13.873,104 30,105 47,106 0.266,107 0.645,108 0.782,109 0.819,110 0.831,111 0.838,112 3.441,113 0.847,114 -3.18,115 -3.17,116 -3.05,119 39.6,120 1,124 2,125 1,139 4,140 3,141 4,142 1,144 1,146 1,147 1,148 2,157 2,158 2,159 2,166 4,169 2,170 9,172 3,173 3,175 3,178 3,180 1,181 1,182 6,185 1,187 3,189 1,191 1,192 2,193 5,195 3,196 5,197 1,198 5,200 2,201 3,204 3,205 1,206 1,207 3,210 1,212 1,215 4,218 1,221 5,224 2,225 1,226 2,228 1,229 3,231 2,233 1,234 5,239 2,241 2,245 1,246 5,250 1,251 1,253 1,256 1,259 3,260 4,262 1,263 1,265 1,268 2,270 1,273 1378,274 20.394,275 20.394,276 20.394,277 20.394,278 20.394,279 17.702,280 28.308,281 11.763,282 21.134,283 16.136,284 16.136,285 16.136,286 16.136,287 16.136,288 11.963,289 38.943,290 5.372,291 17.152,292 4.112,293 1.813,294 0.986,295 0.76,296 0.684,297 0.647,298 4.134,301 1,302 1,303 763,304 3.082,306 87.508,307 265.256,311 141.944,314 1.618,315 24.848,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 65.5,327 352,328 4.654,329 3.337,330 6.835,331 4.186,332 3.213,333 4.616,334 0.86,335 11.231,336 3.13,337 4.478,338 3.299,339 6.572,340 4.065,341 3.114,342 4.185,343 0.86,344 10.474,345 2.957,346 4.005,347 2.92,348 6.046,349 3.607,350 2.668,351 3.529,352 0.657,353 8.675,354 2.504,355 3.895,356 2.721,357 5.795,358 3.476,359 2.522,360 3.404,362 7.838,363 2.402,364 3.529,365 2.474,366 5.221,367 3.086,368 2.159,369 2.9,371 6.252,372 1.999,373 3.454,374 2.23,375 5.097,376 2.988,377 2.054,378 2.861,380 5.917,381 1.912,382 3.386,383 2.062,384 5.009,385 2.903,386 1.982,387 2.708,389 5.795,390 1.821,391 3.056,392 1.957,393 4.554,394 2.649,395 1.697,396 2.254,398 4.651,399 1.61,400 2.709,401 1.619,402 4.245,403 2.323,404 1.371,405 1.779,407 3.552,408 1.302,409 2.518,410 1.587,411 3.829,412 2.148,413 1.227,414 1.524,415 2.842,416 1.122,417 2.118,418 1.048,419 3.313,420 1.703,421 0.753,422 0.979,423 1.832,424 0.714,425 2.083,426 0.918,427 3.162,428 1.591,429 0.7,430 0.927,431 1.388,432 0.615,433 1.882,434 0.852,435 3,436 1.586,437 0.618,438 0.801,439 1.372,440 0.6,441 1.488,442 0.618,443 2.842,444 1.206,445 0.346,446 0.383,448 0.495,449 0.295,450 1.363,451 0.372,452 2.814,453 1,454 0.078,455 0.096,457 0.171,458 0.072,459 13.967,460 0.466,461 0.746,462 0.025,463 43.25,464 1.442,465 22.5,466 0.75,467 20.75,468 0.692,469 22.951,470 0.765,471 32.233,472 0.608,473 34.042,474 1.135,475 8.831,476 0.294,477 5.681,478 0.189,479 0.165,481 0.387,485 1.052,486 1.413,487 0.794,488 1.1,489 1.181,490 0.92,491 1.172,492 0.897,493 0.765,494 0.763,495 0.734,496 0.715,497 0.996,498 1.285,499 0.92,500 1.094,501 0.87,502 1.005,503 0.833,504 1.232,505 1.036,506 1.305,507 0.721,508 1.233,509 1.253,510 0.914,511 1.19,512 0.972,513 1.261,514 1.042,515 1.11,516 0.883,517 1.063,518 1.031,519 0.926,520 1.045,521 1.236,522 0.927,523 1.103,524 1.001,525 1.067,526 1.038,527 0.791,528 0.991,529 0.904,530 1.072,531 0.751,532 1.031,533 6,534 0.214,535 3.778,536 2.528,537 2.293,538 1.191,539 0.642,540 0.455,541 0.359,542 0.273,543 11792,544 32607,545 2.067,546 43.4,547 3,548 12,549 2,550 1,551 5,555 1.728,556 1.915,557 3.498,558 2.452,560 1,564 85.648,565 1.616,566 3.915,567 4.742,568 4.968,569 5.044,570 5.081,571 2.899,572 4.44,573 4.882,574 3.661,575 1592.69,576 8.514,577 21956.3,579 1,581 1,582 303.58,583 1.475,584 4.828,585 0.182,586 0.008,587 0.08,588 0.05,589 0.046,590 0.028,591 0.017,592 0.014,593 0.012,594 0.009,595 0.446,596 0.17,597 1,598 0.855,599 153.891,600 -0.134,601 -0.188,602 0.04,603 -0.057,604 -0.235,605 0.018,606 -0.026,607 0.205,608 0.164,609 0.243,610 0.145,611 0.229,612 -0.04,613 -0.144,614 -0.036,615 -0.074,616 -0.063,617 -0.055,618 0.127,619 -0.142,620 -0.129,621 -0.287,622 0.164,623 -0.27,624 -0.158,625 0.072,626 -0.192,627 -0.025,628 -0.229,629 -0.09,630 -0.077,631 0.045,632 -0.063,633 -0.036,634 -0.025,635 -0.045,636 -0.139,637 -0.018,638 -0.094,640 -0.142,641 -0.036,642 0.077,643 -0.106,644 0.094,645 -0.044,646 0.081,647 0.013,648 1.558,649 2.104,650 0.7,651 27.133,652 1.008,653 1.136,654 1.948,655 3.795,656 0.661,657 3.526,658 3.871,659 4.19,660 4.477,661 4.673,662 4.787,663 4.828,664 4.89,665 4.977,666 5.03,667 6.855,668 0.638,669 405.51,670 3.526,671 5.081,672 5.953,673 6.849,674 7.736,675 8.636,676 9.527,677 10.428,678 11.32,679 12.222,680 13.2,684 2,685 1,688 1,690 3,694 2,695 7,696 3,700 8,701 1,702 22,711 2,712 1,716 2,718 53,719 22,720 1,721 33,723 56,724 21,725 17,726 4,727 2,729 4,730 5,734 1,741 17,742 4,754 1,757 23,758 8,759 5,760 9,764 7,769 0.75,770 2,775 1,776 1,777 1,780 1,781 3,785 1,802 3,806 3,810 30,811 2,816 1,817 1,818 2,829 3.8,834 2,836 15.667,837 10.383,838 6.694,839 2.771,840 4,841 1.516,842 1.006,843 5.656,844 11.748,845 3.807,846 4.48,847 5.138,848 5.767,849 6.293,850 6.65,851 6.973,852 7.308,853 7.664,854 7.822,855 0.875,856 51,857 10.983,859 4.585,860 7.722,861 20.774,863 16.576,865 2.222,866 66.667,869 1,870 211.88,871 128.631,872 136.061,874 22,877 128.631,878 233.88,879 136.061,880 30.591,881 2.106,882 121.794,883 80.138,884 59.606,885 27.769,886 176.567,888 211.88,889 264.692,890 22,893 213.595,894 22,897 23.777,898 170.833,899 68.367,901 211.88,902 158.061,903 128.631,906 211.88,907 32.992,908 97.538,909 18.011,910 138.151,911 211.88,912 158.061,913 128.631,915 0.582,916 0.361,917 0.205,918 0.106,919 23,920 11,921 0.107,922 6,923 1,924 1.095,925 4.043,926 273.232,927 0.095,928 21,929 143.207,933 20.255,934 8.378,935 3.893,936 1.188,937 156.161,938 13.417,939 12.598,943 5.426,944 1.969,945 83.805,946 498.571,947 44,956 53.436,957 60.229,958 0.282,959 0.684,960 0.828,961 0.867,962 0.881,963 0.887,964 5.047,965 1.697,966 5.953,967 5.795,968 4.554,969 5.168,970 1.573,971 6.806,972 4.443,973 6.285,974 1.371,975 7.541,976 4.651,977 4.205,978 5.094,980 7.789,981 4.058,982 7.618,983 1.227,984 9.227,985 3.552,986 6.188,987 7.474,988 1.27,989 10.91,990 5.99,991 8.991,992 0.753,993 10.972,994 2.842,995 6.661,996 8.228,998 12.706,999 6.433,1000 10.395,1001 0.7,1002 12.754,1003 1.832,1004 8.11,1005 10.074,1006 1.022,1007 15.353,1008 7.841,1009 11.82,1010 0.618,1011 14.561,1012 1.388,1013 8.953,1014 11.216,1016 17.489,1017 8.656,1018 13.263,1019 0.346,1020 16.387,1021 1.372,1022 10.206,1023 12.855,1024 0.818,1025 19.973,1026 9.873,1027 3.213,1028 0.078,1029 18.227,1030 0.495,1031 11.217,1032 14.187,1034 22.255,1035 10.856,1036 3.114,1037 11.231,1038 20.078,1039 0.171,1040 12.397,1041 15.743,1042 0.65,1043 24.681,1044 12.004,1045 2.668,1046 10.474,1047 21.938,1048 4.616,1049 13.484,1050 17.168,1052 27.027,1053 13.062,1054 2.522,1055 8.675,1056 23.805,1057 4.185,1058 14.64,1059 18.693,1060 0.511,1061 29.433,1062 14.188,1063 2.159,1064 7.838,1065 25.679,1066 3.529,1067 15.761,1068 20.163,1070 31.808,1071 15.279,1072 2.054,1073 6.252,1074 27.558,1075 3.404,1076 16.91,1077 21.677,1078 0.399,1079 34.208,1080 16.399,1081 1.982,1082 5.917,1083 29.441,1084 2.9,1085 18.047,1086 23.17,1088 36.597,1089 17.507,1090 11232,1091 18830,1092 21.789,1093 35.04,1094 49.236,1095 49.846,1096 51.295,1097 48.943,1098 49.001,1099 65.895,1100 4.755,1101 144.972,1102 46.108,1103 5.498,1104 5.337,1105 6.43,1106 5.261,1107 5.213,1108 7.616,1109 1.72,1110 18.468,1111 5.13,1112 16.046,1113 1.492,1114 1.51,1115 1.554,1116 1.483,1117 1.485,1118 1.997,1119 0.144,1120 4.393,1121 1.397,1122 4.087,1123 4.126,1124 4.059,1125 3.971,1126 5.322,1127 3.987,1128 4.017,1129 4.054,1130 3.983,1131 3.898,1132 4.982,1133 3.914,1134 3.771,1135 3.809,1136 3.709,1137 3.652,1138 4.966,1139 3.66,1140 3.542,1141 3.606,1142 3.473,1143 3.357,1144 4.806,1145 3.379,1146 3.322,1147 3.371,1148 3.182,1149 3.032,1150 4.726,1151 3.057,1152 3.217,1153 3.309,1154 3.059,1155 2.982,1156 4.595,1157 2.985,1158 3.154,1159 3.249,1160 3.031,1161 2.879,1162 4.27,1163 2.897,1164 3.098,1165 3.192,1166 2.886,1167 2.85,1168 4.133,1169 2.847,1170 0.141,1171 0.101,1172 0.207,1173 0.127,1174 0.097,1175 4.654,1176 0.14,1177 3.337,1178 0.026,1179 6.835,1180 0.34,1181 4.186,1182 0.095,1183 3.213,1184 4.616,1185 0.86,1186 11.231,1187 3.13,1188 1.998,1189 1.968,1190 2.062,1191 2.134,1192 1.23,1193 2.112,1194 1.897,1195 1.878,1196 1.963,1197 2.032,1198 1.109,1199 2.011,1200 1.497,1201 1.438,1202 1.67,1203 1.733,1204 0.756,1205 1.714,1206 1.48,1207 1.434,1208 1.642,1209 1.62,1210 0.694,1211 1.622,1212 1.374,1213 1.314,1214 1.594,1215 1.593,1216 0.598,1217 1.606,1218 1.229,1219 1.166,1220 1.563,1221 1.554,1222 0.579,1223 1.559,1224 1.185,1225 1.094,1226 1.546,1227 1.481,1228 0.559,1229 1.505,1230 1.119,1231 1.027,1232 1.446,1233 1.399,1234 0.528,1235 1.416,1236 4.205,1238 5.541,1239 2.398,1240 7.081,1241 4.443,1242 8.722,1243 6.293,1244 10.418,1246 5.242,1250 11.722,1252 0.501,1253 3.403,1254 11.2,1262 33.794,1263 85.648,1264 207.51,1265 251.315,1266 263.315,1267 267.315,1268 269.315,1269 43.098,1270 7.748,1271 126.13,1272 126.13,1273 23,1274 12.744,1275 4.524,1276 3.585,1277 47.097,1278 126,1279 116,1280 0.184,1281 208.915,1282 347,1283 501.512,1284 24876,1286 21.25,1287 0.708,1288 0.567,1289 21.25,1290 17.009,1291 14.512,1292 0.44,1293 0.282,1294 9.125,1295 13.774,1296 8.828,1297 7.394,1298 14.512,1299 9.319,1300 12.942,1301 0.275,1302 0.143,1303 12.942,1304 6.742,1305 11.355,1306 0.175,1307 0.077,1308 11.355,1309 4.987,1310 9.902,1311 0.114,1312 0.039,1313 9.902,1314 3.418,1315 7.355,1316 0.069,1317 0.02,1318 7.355,1319 2.113,1320 0.29,1321 92.177,1322 0.214,1323 28.225,1324 0.504,1325 160,1326 479.009,1327 178.052,1328 463.223,1329 646.94,1330 436,1331 192,1332 492.091,1333 210.747,1334 501.436,1335 733.14,1336 468,1337 6.638}
{0 CHEMBL435553,1 1.487,2 7.813,3 1.01,4 1.021,5 67.189,6 7.424,7 0.706,8 3.474,9 3.632,10 3.02,11 2.957,12 4.682,13 2.953,14 3.895,15 4.084,16 3.309,17 3.284,18 5.086,19 3.245,20 4.092,21 4.32,22 3.268,23 3.34,24 5.176,25 3.265,26 4.098,27 4.363,28 3.002,29 3.208,30 5.129,31 3.088,32 4.02,33 4.327,34 2.81,35 3.068,36 4.956,37 2.941,38 3.747,39 4.016,40 2.818,41 2.945,42 4.742,43 2.854,44 3.652,45 3.902,46 2.713,47 2.83,48 4.776,49 2.752,50 3.543,51 3.843,52 2.343,53 2.579,54 4.543,55 2.449,56 0.05,57 0.475,58 6.083,59 1.948,60 9.956,61 2.953,62 0.143,63 0.676,64 9.818,65 3.536,66 17.211,67 5.135,68 0.167,69 0.741,70 12.749,71 4.042,72 19.016,73 6.203,74 0.181,75 0.666,76 13.594,77 3.913,78 28.325,79 6.261,80 0.217,81 0.569,82 13.473,83 3.453,84 28.482,85 5.733,86 0.083,87 0.479,88 9.586,89 2.971,90 14.181,91 4.717,92 0.096,93 0.447,94 8.469,95 2.236,96 17.79,97 3.699,98 0.095,99 0.347,100 8.191,101 2.155,102 16.139,103 3.624,104 5,105 22,106 0.288,107 0.641,108 0.75,109 0.828,110 0.846,111 0.846,112 2.851,113 0.867,114 -2.94,115 -2.94,116 -2.84,119 37.9,125 1,139 5,140 1,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,172 3,173 3,175 1,178 6,185 2,186 1,187 2,188 1,189 3,195 1,196 1,197 1,198 2,200 2,205 1,207 2,211 1,212 2,214 1,218 1,221 4,226 2,231 2,234 4,239 3,243 3,246 2,251 3,256 3,265 2,270 2,273 250,274 10.776,275 10.776,276 10.776,277 10.776,278 10.776,279 9.196,280 13.992,281 6.591,282 11.012,283 8.394,284 8.394,285 8.394,286 8.394,287 8.394,288 6.157,289 21.152,290 3.162,291 8.785,292 3.371,293 1.542,294 0.978,295 0.578,296 0.483,297 0.483,298 3.505,301 1,302 1,303 261,304 2,307 106.147,314 1.109,315 11.1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 34.5,327 125,328 4.232,329 3.002,330 6.06,331 3.802,332 2.86,333 3.88,334 0.657,335 8.711,336 2.696,337 3.891,338 2.711,339 5.337,340 3.497,341 2.506,342 3.442,344 6.956,345 2.483,346 3.46,347 2.258,348 4.955,349 3.029,350 2.114,351 2.775,353 5.801,354 1.931,355 2.939,356 1.713,357 4.176,358 2.526,359 1.559,360 2.107,362 3.792,363 1.512,364 2.83,365 1.512,366 3.634,367 2.36,368 1.414,369 1.962,371 3.122,372 1.33,373 2.5,374 1,375 3.247,376 2,377 1,378 1.5,380 2.136,381 1,382 1.962,383 0.917,384 3.166,385 1.672,386 0.741,387 0.878,389 1.691,390 0.688,391 1.26,392 0.226,393 2.477,394 0.93,400 0.799,401 -0.314,402 2.359,403 0.393,404 -0.514,405 -0.621,407 -1.242,408 -0.466,409 0.69,410 -0.447,411 1.922,412 0.313,413 -0.66,414 -0.833,415 -1.463,416 -0.641,417 0.5,418 -0.988,419 1.555,421 -1,422 -1.44,423 -2.347,424 -1,425 0.15,426 -1,427 1.374,428 -0.187,429 -1.126,430 -1.5,431 -2.919,432 -1.051,433 -0.15,434 -1.272,435 1.134,436 -0.452,437 -1.414,438 -1.856,439 -4.015,440 -1.344,441 -0.241,442 -1.405,443 1,444 -0.628,445 -1.549,446 -2.038,448 -4.067,449 -1.437,450 -0.5,451 -1.632,452 0.781,453 -0.988,454 -1.93,455 -2.256,457 -4.789,458 -1.828,459 7.5,460 0.469,461 0.332,462 0.021,463 24,464 1.5,465 13.5,466 0.844,467 10.5,468 0.656,469 7.943,470 0.496,471 17.1,472 0.59,473 14.241,474 0.89,475 4.943,476 0.309,477 2.811,478 0.176,479 0.107,481 0.267,485 1.275,486 1.268,487 0.876,488 0.915,489 1.387,490 0.844,491 0.625,492 1.033,493 0.858,494 1.08,495 0.495,496 1.018,497 0.874,498 1.12,499 1.041,500 1.172,501 0.784,502 1.14,503 1.026,504 1.089,505 1.174,506 1.196,507 0.956,508 1.207,509 1.203,510 0.652,511 1.024,512 0.709,513 1.204,514 0.818,515 0.802,516 1.013,517 0.772,518 0.903,519 0.663,520 0.844,521 1.329,522 1.176,523 1.137,524 1.065,525 1.398,526 1.069,527 1.08,528 0.995,529 0.991,530 0.949,531 1.079,532 0.954,533 3,534 0.012,535 1.556,536 0.625,537 0.604,538 0.347,539 0.122,540 0.134,541 0.102,542 0.03,543 2073,544 5781,545 2.03,546 44.8,548 7,550 1,551 5,555 1.545,556 1.92,557 2.981,558 3.156,560 1,562 1,564 43.112,565 1.487,566 3.316,567 3.88,568 4.28,569 4.375,570 4.375,571 2.43,572 3.203,573 3.975,574 3.066,575 367.906,576 6.664,577 3232.08,579 1,582 140.881,583 1.299,584 3.94,585 0.176,586 0.012,587 0.071,588 0.031,589 0.043,590 0.029,591 0.009,592 0.012,593 0.015,594 0.01,595 0.409,596 0.5,597 1,598 0.625,599 65.401,600 -0.272,601 -0.027,602 -0.015,603 0.106,604 -0.356,605 0.09,606 0.298,607 0.114,608 0.028,609 -0.054,610 0.255,611 -0.056,612 0.09,613 -0.075,614 -0.114,615 -0.192,616 0.015,617 -0.186,618 -0.033,619 -0.138,620 -0.207,621 -0.252,622 -0.013,623 -0.256,624 -0.154,625 0.218,626 -0.002,627 0.207,628 -0.16,629 0.139,630 0.018,631 -0.101,632 0.197,633 0.105,634 0.143,635 0.168,636 -0.266,637 -0.18,638 -0.175,639 -0.132,640 -0.224,641 -0.138,642 -0.106,643 -0.148,644 0.024,645 -0.016,646 -0.009,647 0.018,648 1.484,649 1.692,650 0.75,651 9.172,652 1.001,653 1.143,654 1.708,655 2.917,656 0.658,657 2.89,658 3.135,659 3.296,660 3.434,661 3.584,662 3.401,663 3.258,664 3.332,665 3.332,666 3.219,667 4.661,668 0.628,669 215.29,670 2.89,671 4.369,672 5.165,673 5.989,674 6.799,675 7.626,676 8.441,677 9.27,678 10.088,679 10.917,680 17.2,684 2,685 1,690 2,695 6,696 2,700 4,702 12,711 2,712 1,718 29,719 12,720 1,721 17,723 30,724 11,725 10,726 1,727 5,729 2,730 2,741 10,742 1,754 1,757 13,758 5,759 5,760 5,764 5,769 1,776 1,781 2,802 2,810 16,811 2,816 1,817 1,836 8.333,837 4.817,838 3.611,839 1.453,840 2.181,841 1.378,842 0.997,843 3.219,844 7.947,845 3.178,846 3.738,847 4.22,848 4.677,849 5.15,850 4.933,851 4.894,852 5.251,853 5.642,854 5.901,855 1,856 20,857 5.82,859 2.344,860 7.792,861 10.945,863 8.406,865 2.292,866 36.667,867 0.002,870 94.169,871 68.704,872 117.376,877 68.704,878 94.169,879 117.376,881 2.106,882 113.176,883 63.353,884 14.99,885 4.227,886 82.398,888 94.169,889 186.08,893 94.169,897 13.052,898 121.446,899 51.582,901 94.169,902 117.376,903 68.704,906 94.169,907 12.275,908 56.429,909 18.011,910 99.365,911 94.169,912 117.376,913 68.704,915 0.567,916 0.315,917 0.158,918 0.084,919 10,920 4,921 0.1,922 3,924 1,925 2.931,926 99.554,928 12,929 60,933 10.704,934 4.811,935 2.844,937 117.376,938 11.59,939 7.744,943 2.406,945 83.805,946 280.249,947 23,956 29.043,957 33.152,958 0.306,959 0.683,960 0.799,961 0.881,962 0.901,963 0.901,964 4.344,966 5.106,967 1.691,968 3.807,969 4.419,970 0.623,971 5.796,972 3.717,973 5.523,974 -0.514,975 6.592,977 3.219,978 4.007,980 6.447,981 3.074,982 6.792,983 -0.66,984 8.174,985 -1.242,986 5.283,987 6.543,988 0.317,989 9.468,990 5.104,991 8.095,992 -1,993 9.814,994 -1.463,995 5.485,996 6.899,998 10.937,999 5.244,1000 9.425,1001 -1.126,1002 11.49,1003 -2.347,1004 7.015,1005 8.911,1006 0.149,1007 13.446,1008 6.746,1009 10.775,1010 -1.414,1011 13.191,1012 -2.919,1013 7.609,1014 9.657,1016 15.268,1017 7.275,1018 12.141,1019 -1.549,1020 14.91,1021 -4.015,1022 8.887,1023 11.402,1024 0.067,1025 17.581,1026 8.523,1027 2.86,1028 -1.93,1029 16.644,1030 -4.067,1031 9.689,1032 12.373,1034 19.571,1035 9.256,1036 2.506,1037 8.711,1038 18.388,1039 -4.789,1040 10.842,1041 13.964,1042 0.03,1043 21.801,1044 10.374,1045 2.114,1046 6.956,1047 20.14,1048 3.88,1049 11.755,1050 15.074,1052 23.874,1053 11.217,1054 1.559,1055 5.801,1056 21.9,1057 3.442,1058 12.847,1059 16.571,1060 0.013,1061 26.067,1062 12.267,1063 1.414,1064 3.792,1065 23.665,1066 2.775,1067 13.82,1068 17.768,1070 28.183,1071 13.17,1072 1,1073 3.122,1074 25.435,1075 2.107,1076 14.884,1077 19.207,1078 0.006,1079 30.36,1080 14.185,1081 0.741,1082 2.136,1083 27.21,1084 1.962,1085 15.889,1086 20.461,1088 32.498,1089 15.122,1090 2095,1091 3581,1092 11.326,1093 19.074,1094 24.687,1095 24.53,1096 24.915,1097 24.432,1098 24.388,1099 33.087,1100 1.315,1101 64.418,1102 23.279,1103 5.055,1104 5.002,1105 5.862,1106 4.871,1107 4.86,1108 6.88,1109 1.315,1110 14.952,1111 4.696,1112 6.524,1113 1.452,1114 1.443,1115 1.466,1116 1.437,1117 1.435,1118 1.946,1119 0.077,1120 3.789,1121 1.369,1122 3.943,1123 3.989,1124 3.883,1125 3.859,1126 5.294,1127 3.854,1128 3.827,1129 3.877,1130 3.777,1131 3.656,1132 4.98,1133 3.686,1134 3.288,1135 3.381,1136 3.163,1137 3.071,1138 4.757,1139 3.078,1140 3.053,1141 3.176,1142 2.904,1143 2.763,1144 4.476,1145 2.79,1146 2.883,1147 2.993,1148 2.736,1149 2.735,1150 4.033,1151 2.715,1152 2.854,1153 2.925,1154 2.687,1155 2.582,1156 3.741,1157 2.612,1158 2.579,1159 2.687,1160 2.378,1161 2.327,1162 3.674,1163 2.32,1164 2.25,1165 2.398,1166 2.004,1167 1.791,1168 3.516,1169 1.816,1170 0.249,1171 0.177,1172 0.356,1173 0.224,1174 0.168,1175 4.232,1176 0.228,1177 3.002,1178 0.039,1179 6.06,1180 0.512,1181 3.802,1182 0.159,1183 2.86,1184 3.88,1185 0.657,1186 8.711,1187 2.696,1188 1.916,1189 1.884,1190 2.044,1191 2.031,1192 1.156,1193 2.03,1194 1.746,1195 1.694,1196 1.827,1197 1.94,1198 0.821,1199 1.921,1200 1.239,1201 1.159,1202 1.491,1203 1.511,1204 0.588,1205 1.509,1206 0.962,1207 0.858,1208 1.261,1209 1.347,1210 0.218,1211 1.337,1212 0.886,1213 0.821,1214 1.181,1215 1.153,1216 0.018,1217 1.161,1218 0.81,1219 0.697,1220 1.135,1221 1.062,1223 1.107,1224 0.564,1225 0.458,1226 0.929,1227 0.849,1229 0.879,1230 0.152,1232 0.606,1233 0.576,1235 0.572,1236 3.555,1238 4.812,1240 6.267,1242 7.808,1244 9.386,1250 11.097,1252 0.679,1253 3.151,1262 18.214,1263 43.112,1264 96.152,1265 112.517,1266 124.127,1267 126.881,1268 126.881,1269 16.8,1270 5.765,1271 89.85,1272 89.85,1273 12,1274 11.493,1275 3.7,1276 2.807,1277 26.122,1278 45,1279 36,1280 0.293,1281 117.906,1282 191.5,1283 279.452,1284 1954,1286 11.38,1287 0.711,1288 0.545,1289 11.38,1290 8.72,1291 7.754,1292 0.456,1293 0.289,1294 4.842,1295 7.482,1296 4.743,1297 3.984,1298 7.754,1299 4.913,1300 6.737,1301 0.306,1302 0.153,1303 6.737,1304 3.366,1305 5.28,1306 0.203,1307 0.083,1308 5.28,1309 2.163,1310 4.083,1311 0.136,1312 0.045,1313 4.083,1314 1.339,1315 3.069,1316 0.088,1317 0.024,1318 3.069,1319 0.84,1320 0.455,1321 48.418,1322 0.297,1323 16.447,1324 0.803,1325 78,1326 218.248,1327 85.771,1328 221.245,1329 303.9,1330 206,1331 87,1332 227.662,1333 94.41,1334 233.73,1335 333.31,1336 219,1337 4.235}
{0 CHEMBL435938,1 1.575,2 15.242,3 3.966,4 15.728,5 126.777,6 7.087,7 0.486,8 4.239,9 4.365,10 3.745,11 3.699,12 5.358,13 3.688,14 4.773,15 4.959,16 4.069,17 4.053,18 5.871,19 4.016,20 4.966,21 5.166,22 4.149,23 4.198,24 5.98,25 4.151,26 5.045,27 5.245,28 4.139,29 4.253,30 6.125,31 4.176,32 5.146,33 5.39,34 4.012,35 4.256,36 6.119,37 4.145,38 5.086,39 5.344,40 3.967,41 4.185,42 5.983,43 4.069,44 5.002,45 5.232,46 3.955,47 4.119,48 5.987,49 4.02,50 4.968,51 5.216,52 3.886,53 4.081,54 5.899,55 3.967,56 0.064,57 0.916,58 14.145,59 5.661,60 12.612,61 7.726,62 0.477,63 1.367,64 26.563,65 9.603,66 47.362,67 13.068,68 0.432,69 1.607,70 32.642,71 10.806,72 43.613,73 15.365,74 0.522,75 1.739,76 35.216,77 12.239,78 64.418,79 17.109,80 0.701,81 1.798,82 40.461,83 12.33,84 79.696,85 18.517,86 0.506,87 1.634,88 38.195,89 12.548,90 58.168,91 18.556,92 0.72,93 1.508,94 35.144,95 11.45,96 66.39,97 16.485,98 0.504,99 1.491,100 33.587,101 10.947,102 50.307,103 16.363,104 49,105 47,106 0.252,107 0.587,108 0.82,109 0.876,110 0.881,111 0.881,112 3.531,113 0.947,114 -4.71,115 -4.62,116 -4.35,119 37.5,120 2,121 5,124 1,125 2,139 3,140 4,141 2,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,166 10,169 3,170 12,172 3,173 3,175 1,178 10,180 1,182 12,187 1,189 8,191 1,192 1,193 12,195 3,196 3,197 1,198 3,200 2,201 8,204 3,205 1,206 1,207 8,212 2,215 9,218 2,220 1,221 6,226 3,229 9,231 3,233 3,234 6,239 2,241 9,243 2,245 2,246 3,248 1,249 1,251 2,254 5,256 2,259 2,260 9,262 1,263 1,265 2,268 5,270 2,273 2301,274 22.223,275 22.223,276 22.223,277 22.223,278 22.223,279 19.935,280 27.911,281 13.388,282 22.96,283 17.176,284 17.176,285 17.176,286 17.176,287 17.176,288 13.598,289 33.597,290 6.222,291 18.155,292 4.425,293 2.341,294 0.883,295 0.535,296 0.504,297 0.504,298 4.213,301 1,302 1,303 1049,304 4.183,307 309.012,311 161.14,314 2.371,315 35.481,318 1,319 0.5,320 0.83,321 1,322 1,323 0.83,324 0.5,325 0.81,326 72.5,327 503,328 4.657,329 3.681,330 6.838,331 4.194,332 3.219,333 4.617,334 2.443,335 11.245,336 3.142,337 4.278,338 3.356,339 6.206,340 3.882,341 2.915,342 3.922,343 0.86,344 9.303,345 2.818,346 3.886,347 3.167,348 5.769,349 3.467,350 2.512,351 3.395,352 0.86,353 7.764,354 2.397,355 3.655,356 2.776,357 5.252,358 3.351,359 2.374,360 2.873,361 0.68,362 6.639,363 2.298,364 3.56,365 2.666,366 5.097,367 3.188,368 2.269,369 2.858,370 0.286,371 6.066,372 2.076,373 3.452,374 2.233,375 5.029,376 2.977,377 2.043,378 2.825,380 5.914,381 1.901,382 3.374,383 2.062,384 5.01,385 2.899,386 1.976,387 2.691,389 5.795,390 1.819,391 2.877,392 1.914,393 4.43,394 2.687,395 1.707,396 2.01,398 4.186,399 1.667,400 2.748,401 1.835,402 4.15,403 2.5,404 1.534,405 1.76,407 3.496,408 1.477,409 2.69,410 1.796,411 3.778,412 2.255,413 1.3,414 1.749,415 3.384,416 1.238,417 2.236,418 1.515,419 3.351,420 2.13,421 1.204,422 1.23,423 2.402,424 1.104,425 2.071,426 1.42,427 3.204,428 1.88,429 0.934,430 1.005,431 1.634,432 0.869,433 1.87,434 1.085,435 3.015,436 1.588,437 0.671,438 0.772,439 1.31,440 0.607,441 1.636,442 0.785,443 2.842,444 1.32,445 0.374,446 0.452,448 0.852,449 0.352,450 1.373,451 0.649,452 2.818,453 1.176,454 0.244,455 0.264,457 0.455,458 0.225,459 15.333,460 0.465,461 0.75,462 0.023,463 40.75,464 1.235,465 19.5,466 0.591,467 21.25,468 0.644,469 30.906,470 0.937,471 37.467,472 0.585,473 32.344,474 0.98,475 7.927,476 0.24,477 7.995,478 0.242,479 0.172,481 0.326,485 0.894,486 1.395,487 0.854,488 1.235,489 0.845,490 1.057,491 0.926,492 0.946,493 0.829,494 0.98,495 0.575,496 0.913,497 1.219,498 1.11,499 0.952,500 0.981,501 1.003,502 0.932,503 1.074,504 1.163,505 1.102,506 1.203,507 1.068,508 1.179,509 1.065,510 0.985,511 1.148,512 1.013,513 1.223,514 1.074,515 0.852,516 0.953,517 0.911,518 0.997,519 0.77,520 0.971,521 1.018,522 1.019,523 1.014,524 1.025,525 0.807,526 1.033,527 0.77,528 1.068,529 0.969,530 1.098,531 0.604,532 1.075,533 6.5,534 0.206,535 3.333,536 2.438,537 2.022,538 0.903,539 0.69,540 0.448,541 0.403,542 0.265,543 16047,544 44904,545 1.994,546 48.4,547 9,548 10,550 1,551 4,552 2,553 5,555 1.75,556 1.85,557 3.817,558 1.573,560 1,564 100.771,565 1.575,566 3.659,567 5.117,568 5.465,569 5.496,570 5.496,571 3.366,572 4.923,573 5.007,574 4.029,575 2127.06,576 8.759,577 33633.6,579 1,582 384,583 1.462,584 4.964,585 0.186,586 0.007,587 0.071,588 0.048,589 0.042,590 0.022,591 0.017,592 0.011,593 0.011,594 0.008,595 0.424,597 0.88,598 2.068,599 179.01,600 -0.069,601 -0.11,602 0.037,603 -0.065,604 -0.097,605 0.003,606 0.12,607 0.151,608 0.132,609 0.092,610 0.19,611 0.102,612 -0.154,613 -0.046,614 0.018,615 0.065,616 -0.097,617 0.071,618 -0.066,619 -0.091,620 -0.143,621 -0.152,622 -0.022,623 -0.173,624 -0.119,625 0.028,626 -0.172,627 -0.032,628 -0.189,629 -0.094,630 -0.007,631 -0.003,632 0.055,633 0.01,634 -0.016,635 0.042,636 0.057,637 -0.058,638 -0.028,639 -0.006,640 0.02,641 -0.033,642 0.064,643 -0.079,644 -0.009,645 -0.09,646 0.033,647 -0.068,648 1.812,649 4.386,650 0.485,651 44.275,652 1.005,653 1.136,654 3.479,655 12.102,656 0.637,657 3.584,658 3.871,659 4.111,660 4.357,661 4.554,662 4.644,663 4.71,664 4.82,665 4.956,666 4.977,667 8.564,668 0.606,669 453.6,670 3.584,671 5.106,672 5.938,673 6.804,674 7.657,675 8.534,676 9.399,677 10.284,678 11.157,679 12.047,680 7.8,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 2,718 64,719 18,720 1,721 35,723 66,724 24,725 13,726 3,727 3,729 3,730 4,734 2,739 5,741 14,742 10,744 1,748 1,751 1,757 31,758 9,759 4,760 9,764 5,769 0.667,770 4,775 1,776 1,781 3,785 1,793 1,802 2,806 3,810 33,811 2,816 7,818 3,829 6.3,832 1,834 3,836 17.833,837 12.267,838 7.556,839 3.949,840 3.53,841 1.458,842 0.947,843 8.952,844 11.242,845 3.818,846 4.407,847 4.977,848 5.57,849 6.139,850 6.454,851 6.801,852 7.216,853 7.651,854 7.852,855 1,856 51,857 12.168,859 4.966,860 7.793,861 23.125,863 18.132,865 2.293,866 75.667,870 317.82,871 123.617,872 116.151,874 58.145,877 123.617,878 375.964,879 116.151,880 28.533,881 21.857,882 94.223,883 94.464,884 66.379,885 4.227,886 306.049,888 317.82,889 239.768,890 58.145,893 260.68,894 117,897 50.454,898 137.242,899 50.357,901 317.82,902 174.296,903 123.617,906 317.82,907 57.608,908 66.01,910 174.296,911 317.82,912 174.296,913 123.617,915 0.566,916 0.329,917 0.179,918 0.091,919 19,920 10,921 0.182,922 12,923 1,924 1.125,925 4.412,926 284.067,927 0.125,928 16,929 164.465,933 24.842,934 11.892,935 6.607,936 1.184,937 174.296,938 7.54,939 12.662,943 4.848,945 65.794,946 615.733,947 44.5,951 11.386,954 -0.145,956 64.305,957 72.727,958 0.262,959 0.61,960 0.853,961 0.911,962 0.916,963 0.916,964 5.039,965 1.707,966 5.911,967 5.795,968 4.554,969 5.094,970 2.703,971 6.701,972 4.458,973 6.239,974 1.534,975 7.458,976 4.186,977 4.111,978 4.997,979 2.243,980 7.582,981 3.997,982 7.548,983 1.3,984 9.107,985 3.496,986 6.12,987 7.33,988 3.896,989 10.693,990 5.954,991 8.895,992 1.204,993 10.818,994 3.384,995 6.494,996 8.061,997 4.269,998 12.429,999 6.317,1000 10.276,1001 0.934,1002 12.569,1003 2.402,1004 7.971,1005 9.902,1006 5.494,1007 15.076,1008 7.756,1009 11.681,1010 0.671,1011 14.351,1012 1.634,1013 8.744,1014 11.031,1015 6.158,1016 17.188,1017 8.518,1018 13.107,1019 0.374,1020 16.154,1021 1.31,1022 10.009,1023 12.677,1024 7.209,1025 19.677,1026 9.753,1027 3.219,1028 0.244,1029 17.976,1030 0.852,1031 10.979,1032 14.006,1033 7.992,1034 21.957,1035 10.709,1036 2.915,1037 11.245,1038 19.813,1039 0.455,1040 12.161,1041 15.573,1042 8.963,1043 24.39,1044 11.868,1045 2.512,1046 9.303,1047 21.662,1048 4.617,1049 13.226,1050 17.001,1051 9.802,1052 26.743,1053 12.915,1054 2.374,1055 7.764,1056 23.522,1057 3.922,1058 14.381,1059 18.536,1060 10.734,1061 29.159,1062 14.047,1063 2.269,1064 6.639,1065 25.39,1066 3.395,1067 15.49,1068 20.012,1069 11.599,1070 31.544,1071 15.137,1072 2.043,1073 6.066,1074 27.266,1075 2.873,1076 16.639,1077 21.537,1078 12.512,1079 33.957,1080 16.263,1081 1.976,1082 5.914,1083 29.147,1084 2.858,1085 17.771,1086 23.037,1087 13.391,1088 36.358,1089 17.374,1090 15924,1091 26788,1092 22.77,1093 40.745,1094 50.583,1095 52.383,1096 53.002,1097 50.529,1098 50.551,1099 64.847,1100 10.258,1101 140.892,1102 47.981,1103 5.601,1104 5.681,1105 6.669,1106 5.269,1107 5.219,1108 7.617,1109 4.174,1110 18.52,1111 5.142,1112 19.536,1113 1.445,1114 1.497,1115 1.514,1116 1.444,1117 1.444,1118 1.853,1119 0.293,1120 4.025,1121 1.371,1122 4.085,1123 4.12,1124 4.058,1125 3.985,1126 7.432,1127 3.997,1128 3.913,1129 3.934,1130 3.868,1131 3.814,1132 5.322,1133 3.824,1134 3.76,1135 3.806,1136 3.638,1137 3.611,1138 4.982,1139 3.604,1140 3.56,1141 3.607,1142 3.458,1143 3.346,1144 4.909,1145 3.366,1146 3.508,1147 3.572,1148 3.401,1149 3.32,1150 4.793,1151 3.331,1152 3.365,1153 3.433,1154 3.18,1155 3.171,1156 4.574,1157 3.158,1158 3.242,1159 3.306,1160 3.061,1161 2.988,1162 4.467,1163 2.99,1164 3.179,1165 3.273,1166 3.052,1167 2.96,1168 4.208,1169 2.967,1170 0.133,1171 0.105,1172 0.195,1173 0.12,1174 0.092,1175 4.657,1176 0.132,1177 3.681,1178 0.07,1179 6.838,1180 0.321,1181 4.194,1182 0.09,1183 3.219,1184 4.617,1185 2.443,1186 11.245,1187 3.142,1188 2.014,1189 1.988,1190 2.084,1191 2.137,1192 1.332,1193 2.119,1194 1.871,1195 1.851,1196 1.996,1197 1.996,1198 1.277,1199 1.99,1200 1.74,1201 1.688,1202 1.94,1203 1.915,1204 1.069,1205 1.93,1206 1.507,1207 1.454,1208 1.807,1209 1.761,1210 0.962,1211 1.772,1212 1.448,1213 1.391,1214 1.66,1215 1.67,1216 0.914,1217 1.662,1218 1.357,1219 1.289,1220 1.605,1221 1.594,1222 0.674,1223 1.614,1224 1.189,1225 1.118,1226 1.565,1227 1.498,1228 0.572,1229 1.521,1230 1.169,1231 1.084,1232 1.496,1233 1.417,1234 0.558,1235 1.44,1236 4.263,1238 5.557,1240 7.048,1242 8.645,1244 10.303,1246 5.425,1250 11.77,1252 4.574,1254 16.423,1262 38.815,1263 100.771,1264 234.184,1265 327.471,1266 349.735,1267 351.735,1268 351.735,1269 71.866,1270 7.712,1271 135.47,1272 135.47,1273 18,1274 12.58,1275 4.248,1276 3.392,1277 64.606,1278 163,1279 216,1280 0.185,1281 242.416,1282 420.38,1283 583.256,1284 25783,1286 23.794,1287 0.721,1288 0.588,1289 23.794,1290 19.388,1291 15.922,1292 0.455,1293 0.316,1294 10.862,1295 15.145,1296 10.54,1297 8.798,1298 15.922,1299 11.05,1300 13.816,1301 0.294,1302 0.164,1303 13.816,1304 7.689,1305 11.159,1306 0.186,1307 0.089,1308 11.159,1309 5.367,1310 9.44,1311 0.123,1312 0.048,1313 9.44,1314 3.671,1315 6.945,1316 0.074,1317 0.025,1318 6.945,1319 2.319,1320 0.3,1321 100.891,1322 0.21,1323 31.39,1324 0.481,1325 164,1326 524.502,1327 184.448,1328 494.355,1329 670.87,1330 464,1331 189,1332 488.88,1333 207.291,1334 490.694,1335 714.01,1336 460,1337 7.678}
{0 CHEMBL439949,1 1.545,2 9.217,3 1.189,4 1.415,5 94.941,6 6.988,7 0.48,8 3.91,9 4.06,10 3.41,11 3.356,12 5.012,13 3.347,14 4.433,15 4.632,16 3.76,17 3.743,18 5.477,19 3.707,20 4.653,21 4.877,22 3.845,23 3.92,24 5.636,25 3.86,26 4.699,27 4.916,28 3.847,29 3.994,30 5.724,31 3.903,32 4.846,33 5.096,34 3.745,35 4.001,36 5.856,37 3.88,38 4.865,39 5.171,40 3.518,41 3.831,42 5.808,43 3.663,44 4.569,45 4.89,46 3.192,47 3.488,48 5.402,49 3.327,50 4.156,51 4.426,52 3.136,53 3.27,54 5.075,55 3.17,56 0.056,57 0.703,58 10.422,59 3.4,60 12.441,61 5.255,62 0.254,63 1.055,64 18.765,65 6.111,66 26.186,67 9.093,68 0.336,69 1.273,70 23.787,71 7.051,72 26.765,73 11.198,74 0.164,75 1.366,76 24.072,77 8.304,78 28.823,79 12.872,80 0.267,81 1.417,82 29.016,83 8.373,84 48.394,85 13.863,86 0.441,87 1.21,88 31.254,89 8.716,90 65.139,91 14.394,92 0.395,93 0.858,94 23.772,95 6.238,96 40.956,97 10.333,98 0.152,99 0.688,100 14.737,101 4.025,102 21.35,103 6.821,104 18,105 35,106 0.27,107 0.618,108 0.776,109 0.832,110 0.832,111 0.832,112 3.189,113 0.929,114 -3,115 -3,116 -2.89,119 35.6,120 1,121 1,125 4,139 3,140 2,141 2,143 1,144 1,147 1,157 3,158 3,159 3,166 5,169 1,170 4,172 3,173 3,175 2,178 5,180 2,181 1,182 5,184 1,185 1,187 3,189 4,191 3,193 6,195 1,196 1,197 1,198 7,200 2,201 3,204 7,205 1,207 5,212 4,215 3,218 4,221 2,223 3,224 3,225 1,226 3,228 2,229 1,231 3,232 1,233 2,234 2,236 1,237 1,239 2,243 2,246 2,250 1,253 2,258 1,262 1,263 1,273 667,274 15.508,275 15.508,276 15.508,277 15.508,278 15.508,279 13.99,280 21.535,281 9.098,282 15.969,283 12.271,284 12.271,285 12.271,286 12.271,287 12.271,288 9.93,289 28.185,290 4.213,291 13.011,292 3.947,293 1.953,294 1.045,295 0.728,296 0.728,297 0.728,298 3.867,301 1,302 1,303 451,304 2.236,307 225.333,314 1.512,315 21.072,318 0.75,319 0.83,320 0.83,321 0.9,322 1,323 0.83,324 1,325 0.88,326 50,327 212,328 4.538,329 3.283,330 6.773,331 4.157,332 3.181,333 4.257,334 0.86,335 11.084,336 3.108,337 4.249,338 3.164,339 6.444,340 3.906,341 2.957,342 3.831,343 0.8,344 9.922,345 2.809,346 3.681,347 2.554,348 5.398,349 3.309,350 2.371,351 3.045,353 6.928,354 2.223,355 3.326,356 2.329,357 5.056,358 3.027,359 2.099,360 2.554,362 5.843,363 1.942,364 3.286,365 2.224,366 5.035,367 2.927,368 1.981,369 2.477,371 5.682,372 1.871,373 3.027,374 2.042,375 4.708,376 2.655,377 1.708,378 2.171,380 4.749,381 1.613,382 2.768,383 1.766,384 4.031,385 2.419,386 1.49,387 1.841,389 3.512,390 1.38,391 2.279,392 1.296,393 3.512,394 2.028,395 1.109,396 1.261,398 2.638,399 1.007,400 2,401 1.256,402 3.312,403 1.952,404 1,405 1,407 2.136,408 0.946,409 1.712,410 0.662,411 3.247,412 1.523,413 0.543,414 0.613,415 1.037,416 0.531,417 1.33,418 0.213,419 2.758,420 1.031,421 0.085,422 0.1,423 0.18,424 0.08,425 1.068,426 -0.017,427 2.59,428 0.742,429 -0.199,430 -0.238,431 -0.487,432 -0.187,433 0.826,434 -0.305,435 2.408,436 0.439,437 -0.478,438 -0.587,439 -1.148,440 -0.437,441 0.69,442 -0.36,443 2.255,444 0.299,445 -0.665,446 -0.788,448 -1.636,449 -0.638,450 0.268,451 -0.523,452 2.051,453 0.099,454 -0.849,455 -0.95,457 -1.906,458 -0.804,459 10.733,460 0.467,461 0.575,462 0.025,463 29.5,464 1.283,465 14,466 0.609,467 15.5,468 0.674,469 18.215,470 0.792,471 25.867,472 0.575,473 21.288,474 0.926,475 5.717,476 0.249,477 5.38,478 0.234,479 0.158,481 0.363,485 1.131,486 1.405,487 0.903,488 1.109,489 1.327,490 0.978,491 1.091,492 1.041,493 0.852,494 0.955,495 0.6,496 0.895,497 1.127,498 1.021,499 0.974,500 0.886,501 0.885,502 0.905,503 0.633,504 1.33,505 1.01,506 1.306,507 0.674,508 1.226,509 0.982,510 1.251,511 1.212,512 1.262,513 1.359,514 1.259,515 0.763,516 0.907,517 0.957,518 1.007,519 0.946,520 1.009,521 1.007,522 0.683,523 0.884,524 0.74,525 1.062,526 0.793,527 0.829,528 1.166,529 0.933,530 1.057,531 0.862,532 1.007,533 4.5,534 0.082,535 2.667,536 2.375,537 1.409,538 0.868,539 0.603,540 0.321,541 0.144,542 0.1,543 5243,544 13313,545 2.041,546 48.9,547 3,548 11,551 6,552 2,555 1.659,556 1.89,557 3.155,558 3.623,559 1,560 1,562 1,564 69.516,565 1.545,566 3.539,567 4.447,568 4.764,569 4.764,570 4.764,571 2.707,572 4.263,573 4.495,574 3.302,575 835.487,576 7.748,577 9267.15,579 1,582 247.133,583 1.478,584 4.443,585 0.18,586 0.008,587 0.076,588 0.063,589 0.038,590 0.028,591 0.026,592 0.019,593 0.008,594 0.007,595 0.453,596 0.33,597 1,598 0.832,599 106.357,600 -0.16,601 -0.082,602 0.024,603 0.025,604 -0.26,605 0.057,606 0.043,607 0.105,608 0.113,609 0.118,610 0.181,611 0.116,612 -0.103,613 0.094,614 -0.01,615 0.147,616 -0.063,617 0.089,618 0.017,619 -0.186,620 -0.101,621 -0.205,622 0.118,623 -0.179,624 -0.174,625 -0.187,626 -0.266,627 -0.257,628 -0.238,629 -0.269,630 0.106,631 -0.034,632 0.025,633 -0.067,634 0.092,635 -0.038,636 0.025,637 0.13,638 0.127,639 0.161,640 -0.049,641 0.156,642 0.004,643 -0.166,644 0.033,645 -0.088,646 0.047,647 -0.031,648 1.471,649 2.272,650 0.783,651 17.739,652 1,653 1.145,654 1.767,655 3.121,656 0.635,657 3.258,658 3.584,659 3.871,660 4.159,661 4.344,662 4.369,663 4.443,664 4.543,665 4.522,666 4.554,667 5.432,668 0.601,669 314.44,670 3.258,671 4.796,672 5.652,673 6.541,674 7.414,675 8.308,676 9.187,677 10.083,678 10.964,679 11.862,680 13.3,684 3,686 1,690 2,695 3,696 2,700 7,702 12,711 3,714 1,718 45,719 12,720 1,721 25,723 47,724 16,725 10,726 3,727 3,729 3,730 3,734 1,739 1,741 10,742 6,753 1,754 1,757 22,758 7,759 6,760 7,764 6,769 1,770 1,776 1,781 3,801 1,802 3,806 1,810 23,811 3,816 5,818 1,821 1,829 2.2,833 1,836 12.167,837 8.017,838 5.139,839 2.686,840 2.333,841 1.338,842 0.995,843 4.661,844 9.229,845 3.466,846 4.06,847 4.64,848 5.226,849 5.745,850 6.018,851 6.343,852 6.7,853 6.934,854 7.193,855 1,856 38,857 8.463,859 3.536,860 7.703,861 16.229,863 13.16,865 2.203,866 50.667,870 188.338,871 72.053,872 135.387,874 11,877 72.053,878 199.338,879 135.387,880 8.825,881 15.931,882 127.12,883 44.571,884 17.766,885 4.227,886 188.338,888 188.338,889 207.44,890 11,893 188.338,895 11,897 29.412,898 144.457,899 33.571,901 188.338,902 146.387,903 72.053,906 188.338,907 34.799,908 40.378,910 143.263,911 188.338,912 146.387,913 72.053,915 0.579,916 0.35,917 0.202,918 0.107,919 17,920 8,921 0.064,922 3,924 1,925 3.421,926 185.686,928 18,929 100.042,933 15.992,934 6.703,935 3.244,937 146.387,938 5.95,939 8.367,943 4.853,945 98.692,946 406.778,947 31,956 45.007,957 51.521,958 0.281,959 0.644,960 0.81,961 0.867,962 0.867,963 0.867,964 4.71,965 1.109,966 5.645,967 3.512,968 4.263,969 4.745,970 1.235,971 6.482,972 4.16,973 5.912,974 1,975 7.22,976 2.638,977 3.892,978 4.62,979 0.325,980 7.448,981 3.757,982 7.226,983 0.543,984 8.898,985 2.136,986 5.872,987 6.938,988 0.938,989 10.575,990 5.692,991 8.577,992 0.085,993 10.637,994 1.037,995 6.312,996 7.612,997 0.268,998 12.382,999 6.114,1000 9.961,1001 -0.199,1002 12.416,1003 0.18,1004 7.78,1005 9.439,1006 0.732,1007 15.03,1008 7.542,1009 11.368,1010 -0.478,1011 14.222,1012 -0.487,1013 8.6,1014 10.488,1015 0.188,1016 17.18,1017 8.348,1018 12.794,1019 -0.665,1020 16.049,1021 -1.148,1022 9.864,1023 12.107,1024 0.57,1025 19.66,1026 9.578,1027 3.181,1028 -0.849,1029 17.891,1030 -1.636,1031 10.861,1032 13.343,1033 0.125,1034 21.949,1035 10.558,1036 2.957,1037 11.084,1038 19.745,1039 -1.906,1040 12.044,1041 14.865,1042 0.438,1043 24.368,1044 11.713,1045 2.371,1046 9.922,1047 21.609,1048 4.257,1049 13.12,1050 16.195,1051 0.082,1052 26.714,1053 12.77,1054 2.099,1055 6.928,1056 23.48,1057 3.831,1058 14.273,1059 17.672,1060 0.334,1061 29.111,1062 13.897,1063 1.981,1064 5.843,1065 25.357,1066 3.045,1067 15.384,1068 19.051,1069 0.054,1070 31.482,1071 14.988,1072 1.708,1073 5.682,1074 27.238,1075 2.554,1076 16.528,1077 20.506,1078 0.252,1079 33.873,1080 16.107,1081 1.49,1082 4.749,1083 29.123,1084 2.477,1085 17.655,1086 21.911,1087 0.035,1088 36.255,1089 17.213,1090 5159,1091 8314,1092 16.414,1093 28.58,1094 37.112,1095 37.357,1096 39.035,1097 37.101,1098 37.045,1099 46.303,1100 3.32,1101 107.418,1102 35.022,1103 5.538,1104 5.283,1105 6.575,1106 5.26,1107 5.181,1108 7.257,1109 1.72,1110 18.04,1111 5.108,1112 11.711,1113 1.484,1114 1.494,1115 1.561,1116 1.484,1117 1.482,1118 1.852,1119 0.133,1120 4.297,1121 1.401,1122 4.03,1123 4.067,1124 3.99,1125 3.94,1126 5.288,1127 3.947,1128 3.823,1129 3.879,1130 3.766,1131 3.652,1132 5.096,1133 3.673,1134 3.646,1135 3.696,1136 3.534,1137 3.458,1138 4.978,1139 3.467,1140 3.392,1141 3.485,1142 3.204,1143 3.19,1144 4.632,1145 3.183,1146 3.121,1147 3.228,1148 3.014,1149 2.941,1150 4.516,1151 2.91,1152 3.111,1153 3.206,1154 2.866,1155 2.87,1156 4.358,1157 2.897,1158 3.02,1159 3.133,1160 2.859,1161 2.797,1162 3.966,1163 2.798,1164 2.91,1165 2.991,1166 2.772,1167 2.611,1168 3.822,1169 2.641,1170 0.182,1171 0.131,1172 0.271,1173 0.166,1174 0.127,1175 4.538,1176 0.17,1177 3.283,1178 0.034,1179 6.773,1180 0.443,1181 4.157,1182 0.124,1183 3.181,1184 4.257,1185 0.86,1186 11.084,1187 3.108,1188 1.973,1189 1.946,1190 2.056,1191 2.089,1192 1.254,1193 2.08,1194 1.758,1195 1.707,1196 1.921,1197 1.967,1198 1.15,1199 1.952,1200 1.598,1201 1.544,1202 1.819,1203 1.802,1204 0.985,1205 1.805,1206 1.38,1207 1.294,1208 1.617,1209 1.633,1210 0.825,1211 1.652,1212 1.153,1213 1.064,1214 1.513,1215 1.382,1216 0.602,1217 1.429,1218 1.029,1219 0.946,1220 1.288,1221 1.376,1222 0.253,1223 1.365,1224 0.968,1225 0.885,1226 1.26,1227 1.298,1228 0.189,1229 1.3,1230 0.83,1231 0.73,1232 1.139,1233 1.148,1234 0.124,1235 1.148,1236 3.932,1238 5.252,1240 6.786,1242 8.418,1244 10.1,1246 2.01,1250 18.022,1252 3.852,1254 5.384,1257 2.228,1262 27.058,1263 69.516,1264 159.253,1265 200.114,1266 214.379,1267 214.379,1268 214.379,1269 34.177,1270 6.896,1271 116.31,1272 116.31,1273 18,1274 12.389,1275 3.7,1276 2.807,1277 36.779,1278 75,1279 73,1280 0.248,1281 169.265,1282 285.43,1283 404.767,1284 7931,1286 16.397,1287 0.713,1288 0.576,1289 16.397,1290 13.25,1291 11.097,1292 0.444,1293 0.31,1294 7.616,1295 10.615,1296 7.444,1297 6.156,1298 11.097,1299 7.743,1300 9.912,1301 0.283,1302 0.158,1303 9.912,1304 5.515,1305 8.281,1306 0.176,1307 0.086,1308 8.281,1309 4.032,1310 7.388,1311 0.117,1312 0.046,1313 7.388,1314 2.919,1315 5.675,1316 0.075,1317 0.025,1318 5.675,1319 1.911,1320 0.38,1321 69.837,1322 0.247,1323 22.296,1324 0.706,1325 120,1326 324.608,1327 132.703,1328 317.427,1329 441.55,1330 298,1331 142,1332 333.622,1333 154.455,1334 338.075,1335 497.1,1336 319,1337 4.602}
{0 CHEMBL440334,1 1.371,2 10.423,3 5.702,4 32.516,5 110.943,6 6.148,7 0.444,8 4.1,9 4.251,10 3.478,11 3.591,12 5.096,13 3.531,14 4.649,15 4.87,16 3.771,17 3.959,18 5.556,19 3.856,20 4.884,21 5.134,22 3.866,23 4.097,24 5.724,25 3.981,26 4.953,27 5.201,28 3.877,29 4.143,30 5.83,31 4.023,32 4.956,33 5.175,34 3.889,35 4.222,36 5.81,37 4.089,38 5.113,39 5.374,40 3.87,41 4.294,42 5.864,43 4.13,44 5.155,45 5.43,46 3.832,47 4.31,48 5.864,49 4.114,50 5.244,51 5.564,52 3.707,53 4.227,54 5.975,55 4.005,56 0.08,57 0.82,58 14.212,59 5.391,60 11.889,61 8.008,62 0.256,63 1.236,64 24.312,65 9.328,66 27.264,67 13.435,68 0.229,69 1.452,70 30.476,71 10.749,72 28.406,73 16.221,74 0.381,75 1.517,76 33.05,77 11.438,78 44.482,79 16.906,80 0.271,81 1.606,82 32.992,83 12.28,84 34.165,85 18.011,86 0.332,87 1.767,88 37.992,89 13.903,90 34.521,91 20.722,92 0.198,93 1.833,94 38.775,95 14.982,96 27.161,97 22.492,98 0.514,99 1.803,100 42.736,101 14.124,102 53.069,103 22.292,104 46,105 35,106 0.228,107 0.521,108 0.723,109 0.777,110 0.8,111 0.8,112 3.304,113 1.081,114 -5.42,115 -5.3,116 -4.95,119 36.2,120 3,121 7,125 1,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 14,169 1,170 5,172 3,173 3,175 1,178 14,180 1,182 7,187 1,189 14,191 1,193 6,195 1,196 1,197 1,198 2,200 2,201 15,204 2,205 1,207 7,212 3,215 18,218 3,221 5,226 3,229 18,231 3,234 4,239 4,241 14,243 4,245 2,246 4,248 1,249 1,251 4,254 8,256 4,260 4,265 4,268 4,270 4,273 1020,274 17.662,275 17.662,276 17.662,277 17.662,278 17.662,279 16.109,280 21.466,281 11.026,282 17.966,283 13.256,284 13.256,285 13.256,286 13.256,287 13.256,288 10.846,289 25.817,290 5.058,291 13.751,292 4.487,293 2.717,294 1.505,295 1.182,296 1.039,297 1.039,298 3.97,302 1,303 547,304 3.536,307 190.396,314 1.654,315 19.13,318 0.75,319 0.83,320 0.83,321 1,322 1,323 1,324 1,325 0.92,326 55,327 271,328 4.435,329 3.35,330 6.536,331 4.061,332 3.082,333 4.116,334 0.86,335 10.346,336 3.018,337 4.229,338 3.075,339 6.088,340 3.815,341 2.857,342 3.875,343 0.68,344 8.845,345 2.742,346 3.604,347 2.549,348 5.284,349 3.241,350 2.286,351 2.937,353 6.735,354 2.184,355 3.383,356 2.401,357 5.223,358 3.115,359 2.115,360 2.665,362 6.311,363 2.115,364 3.365,365 2.218,366 4.922,367 2.945,368 2.007,369 2.626,371 5.656,372 1.873,373 2.826,374 2.042,375 4.16,376 2.656,377 1.698,378 1.953,380 3.737,381 1.621,382 2.707,383 1.551,384 3.985,385 2.349,386 1.414,387 1.711,389 3.484,390 1.318,391 2.336,392 1.471,393 3.507,394 2.288,395 1.308,396 1.333,398 2.569,399 1.277,400 2.113,401 1.043,402 3.153,403 2,404 1,405 1.084,407 1.714,408 1,409 1.909,410 1,411 3.103,412 1.788,413 0.849,414 0.883,415 1.476,416 0.789,417 1.614,418 0.671,419 2.842,420 1.355,421 0.403,422 0.469,423 0.896,424 0.382,425 1.294,426 0.445,427 2.567,428 1.116,429 0.16,430 0.173,431 0.288,432 0.152,433 1,434 -0.081,435 2.434,436 0.746,437 -0.254,438 -0.299,439 -0.478,440 -0.254,441 0.805,442 -0.179,443 2.359,444 0.533,445 -0.446,446 -0.495,448 -0.759,449 -0.435,450 0.735,451 -0.308,452 2.087,453 0.454,454 -0.5,455 -0.548,457 -1.041,458 -0.467,459 12.433,460 0.478,461 0.503,462 0.019,463 29,464 1.115,465 13.5,466 0.519,467 15.5,468 0.596,469 27.008,470 1.039,471 30.167,472 0.52,473 19.669,474 0.757,475 4.985,476 0.192,477 7.598,478 0.292,479 0.185,481 0.282,485 1.037,486 1.352,487 1.042,488 1.226,489 1.23,490 1.143,491 0.808,492 1.022,493 0.921,494 1.098,495 0.546,496 1.044,497 1.071,498 1.09,499 0.903,500 1.036,501 0.817,502 0.968,503 1.539,504 0.892,505 1.043,506 0.945,507 1.081,508 0.959,509 1.361,510 1.206,511 1.212,512 1.249,513 1.013,514 1.235,515 1.167,516 1.029,517 1.098,518 1.074,519 0.906,520 1.09,521 0.43,522 1.274,523 0.993,524 1.291,525 0.499,526 1.217,527 0.654,528 0.939,529 0.932,530 0.968,531 0.808,532 0.974,533 5,534 0.111,535 2.444,536 1.813,537 1.538,538 0.785,539 0.77,540 0.464,541 0.308,542 0.172,543 6799,544 14185,545 1.952,546 55.2,547 21,548 4,550 1,551 4,553 2,555 1.697,556 1.814,557 3.308,558 1.659,564 79.524,565 1.371,566 3.141,567 4.353,568 4.676,569 4.819,570 4.819,571 2.917,572 4.21,573 4.665,574 3.471,575 1128,576 8.124,577 14177.2,582 339.763,583 1.448,584 4.62,585 0.185,586 0.009,587 0.07,588 0.048,589 0.04,590 0.021,591 0.021,592 0.014,593 0.011,594 0.008,595 0.427,597 1,598 1.719,599 126.749,600 -0.055,601 -0.014,602 0.021,603 0.003,604 -0.13,605 0.021,606 0.217,607 0.109,608 0.096,609 0.02,610 0.273,611 0.036,612 0.012,613 -0.041,614 0.103,615 0.021,616 0.045,617 0.067,618 -0.08,619 0.146,620 -0.005,621 0.088,622 0.007,623 0.052,624 -0.163,625 -0.104,626 -0.189,627 -0.135,628 -0.103,629 -0.163,630 -0.139,631 -0.013,632 -0.11,633 -0.021,634 -0.09,635 -0.06,636 0.071,637 -0.279,638 -0.062,639 -0.22,640 0.075,641 -0.166,642 0.164,643 -0.031,644 0.017,645 -0.031,646 0.072,647 -0.022,648 1.454,649 2.693,650 0.462,651 25.385,652 0.985,653 1.138,654 4.193,655 17.585,656 0.623,657 3.332,658 3.584,659 3.807,660 4.06,661 4.277,662 4.331,663 4.382,664 4.454,665 4.466,666 4.407,667 6.102,668 0.572,669 356.57,670 3.332,671 4.828,672 5.645,673 6.503,674 7.351,675 8.221,676 9.081,677 9.956,678 10.822,679 11.699,680 6.9,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,718 58,719 12,720 1,721 27,723 59,724 21,725 10,726 4,727 2,729 2,730 2,734 3,739 7,741 10,742 11,757 32,758 5,759 4,760 5,764 4,769 1,770 1,776 1,781 2,802 2,806 3,810 26,811 2,816 8,818 1,829 1.7,834 1,836 14.333,837 10.983,838 6.167,839 4.112,840 2.219,841 1.328,842 0.94,843 8.178,844 8.987,845 3.526,846 4.06,847 4.58,848 5.124,849 5.641,850 5.805,851 6.03,852 6.387,853 6.689,854 6.945,855 1,856 38,857 9.612,859 3.808,860 7.545,861 18.886,863 14.842,865 2.045,866 53.167,870 329.591,871 99.022,872 99.365,874 11,877 99.022,878 340.591,879 99.365,880 26.476,881 22.334,882 84.747,883 45.342,884 38.033,885 4.227,886 317.82,888 329.591,889 198.388,890 11,893 306.049,894 34.542,897 59.756,898 105.061,899 33.571,901 329.591,902 110.365,903 99.022,906 329.591,907 44.547,908 54.476,910 110.365,911 329.591,912 110.365,913 99.022,915 0.548,916 0.315,917 0.182,918 0.108,919 13,920 7,921 0.169,922 10,924 1,925 3.662,926 204.155,928 12,929 109.457,933 20.506,934 10.369,935 5.864,937 110.365,938 6.224,939 8.158,943 6.467,945 65.794,946 538.979,947 33,956 57.105,957 66.015,958 0.234,959 0.536,960 0.743,961 0.798,962 0.823,963 0.823,964 4.727,965 1.308,966 5.602,967 3.484,968 4.263,969 4.745,970 1.225,971 6.375,972 4.193,973 5.901,974 1,975 7.133,976 2.569,977 3.761,978 4.559,980 7.209,981 3.664,982 7.192,983 0.849,984 8.769,985 1.714,986 5.802,987 6.902,988 0.925,989 10.312,990 5.673,991 8.523,992 0.403,993 10.466,994 1.476,995 6.133,996 7.524,998 11.98,999 5.98,1000 9.888,1001 0.16,1002 12.203,1003 0.896,1004 7.629,1005 9.363,1006 0.697,1007 14.59,1008 7.449,1009 11.277,1010 -0.254,1011 13.967,1012 0.288,1013 8.366,1014 10.358,1016 16.618,1017 8.162,1018 12.683,1019 -0.446,1020 15.751,1021 -0.478,1022 9.631,1023 11.979,1024 0.525,1025 19.048,1026 9.403,1027 3.082,1028 -0.5,1029 17.549,1030 -0.759,1031 10.566,1032 13.163,1034 21.238,1035 10.314,1036 2.857,1037 10.346,1038 19.359,1039 -1.041,1040 11.734,1041 14.679,1042 0.395,1043 23.6,1044 11.46,1045 2.286,1046 8.845,1047 21.179,1048 4.116,1049 12.762,1050 15.962,1052 25.863,1053 12.465,1054 2.115,1055 6.735,1056 23.006,1057 3.875,1058 13.892,1059 17.423,1060 0.298,1061 28.2,1062 13.573,1063 2.007,1064 6.311,1065 24.84,1066 2.937,1067 14.963,1068 18.759,1070 30.497,1071 14.623,1072 1.698,1073 5.656,1074 26.678,1075 2.665,1076 16.078,1077 20.192,1078 0.224,1079 32.827,1080 15.717,1081 1.414,1082 3.737,1083 28.522,1084 2.626,1085 17.17,1086 21.557,1088 35.14,1089 16.788,1090 7049,1091 10371,1092 17.394,1093 36.137,1094 38.297,1095 38.974,1096 40.569,1097 38.35,1098 38.358,1099 47.652,1100 3.08,1101 104.118,1102 36.942,1103 5.296,1104 5.35,1105 6.444,1106 5.13,1107 5.082,1108 7.116,1109 1.72,1110 17.291,1111 5.018,1112 14.995,1113 1.418,1114 1.443,1115 1.503,1116 1.42,1117 1.421,1118 1.765,1119 0.114,1120 3.856,1121 1.368,1122 4.026,1123 4.055,1124 3.972,1125 3.957,1126 5.291,1127 3.956,1128 3.835,1129 3.887,1130 3.795,1131 3.678,1132 4.979,1133 3.7,1134 3.656,1135 3.725,1136 3.477,1137 3.511,1138 4.804,1139 3.492,1140 3.591,1141 3.665,1142 3.406,1143 3.462,1144 4.458,1145 3.439,1146 3.483,1147 3.559,1148 3.299,1149 3.336,1150 4.331,1151 3.317,1152 3.244,1153 3.316,1154 3.097,1155 3.03,1156 4.123,1157 3.038,1158 3.124,1159 3.225,1160 2.94,1161 2.894,1162 4.055,1163 2.883,1164 2.996,1165 3.117,1166 2.81,1167 2.836,1168 4.041,1169 2.81,1170 0.164,1171 0.124,1172 0.242,1173 0.15,1174 0.114,1175 4.435,1176 0.152,1177 3.35,1178 0.032,1179 6.536,1180 0.383,1181 4.061,1182 0.112,1183 3.082,1184 4.116,1185 0.86,1186 10.346,1187 3.018,1188 1.987,1189 1.966,1190 2.099,1191 2.078,1192 1.359,1193 2.084,1194 1.768,1195 1.722,1196 1.955,1197 1.957,1198 1.236,1199 1.938,1200 1.67,1201 1.603,1202 1.913,1203 1.855,1204 1.172,1205 1.89,1206 1.624,1207 1.555,1208 1.893,1209 1.801,1210 1.091,1211 1.844,1212 1.495,1213 1.423,1214 1.739,1215 1.684,1216 0.837,1217 1.716,1218 1.207,1219 1.138,1220 1.543,1221 1.476,1222 0.703,1223 1.496,1224 1.109,1225 1.018,1226 1.406,1227 1.393,1228 0.551,1229 1.403,1230 1.03,1231 0.946,1232 1.392,1233 1.289,1234 0.476,1235 1.304,1236 4.007,1238 5.273,1240 6.742,1242 8.32,1244 9.96,1246 6.59,1250 11.625,1252 7.91,1254 6.193,1262 33.176,1263 79.524,1264 182.157,1265 252.479,1266 271.234,1267 279.498,1268 279.498,1269 52.092,1270 6.767,1271 87.05,1272 87.05,1273 12,1274 12.24,1275 3.7,1276 2.807,1277 54.59,1278 95,1279 106,1280 0.289,1281 211.032,1282 362.29,1283 506.678,1284 6535,1286 18.941,1287 0.728,1288 0.629,1289 18.941,1290 16.346,1291 12.583,1292 0.466,1293 0.36,1294 9.644,1295 12.248,1296 9.306,1297 7.916,1298 12.583,1299 9.728,1300 10.486,1301 0.3,1302 0.193,1303 10.486,1304 6.761,1305 8.188,1306 0.186,1307 0.1,1308 8.188,1309 4.397,1310 6.893,1311 0.121,1312 0.055,1313 6.893,1314 3.133,1315 5.474,1316 0.077,1317 0.03,1318 5.474,1319 2.148,1320 0.445,1321 77.847,1322 0.24,1323 24.974,1324 0.818,1325 124,1326 299.65,1327 133.593,1328 296.262,1329 411.41,1330 278,1331 141,1332 309.426,1333 150.316,1334 315.913,1335 459.51,1336 297,1337 4.824}
{0 CHEMBL440479,1 1.757,2 10.192,3 2.056,4 4.225,5 106.865,6 7.915,7 0.444,8 3.97,9 4.111,10 3.55,11 3.399,12 5.185,13 3.397,14 4.447,15 4.64,16 3.879,17 3.752,18 5.606,19 3.718,20 4.678,21 4.907,22 4.023,23 3.885,24 5.808,25 3.845,26 4.671,27 4.877,28 4.023,29 3.905,30 5.893,31 3.864,32 4.782,33 5.008,34 3.953,35 3.932,36 5.968,37 3.873,38 4.829,39 5.085,40 3.945,41 3.945,42 5.955,43 3.835,44 4.736,45 4.989,46 3.972,47 3.853,48 5.852,49 3.729,50 4.547,51 4.771,52 3.782,53 3.654,54 5.781,55 3.54,56 0.187,57 0.717,58 9.903,59 3.676,60 24.319,61 5.123,62 0.372,63 1.023,64 18.388,65 6.105,66 41.99,67 8.721,68 0.602,69 1.177,70 26.782,71 6.321,72 55.534,73 10.202,74 0.513,75 1.226,76 25.195,77 6.552,78 56.96,79 10.362,80 0.653,81 1.274,82 27.139,83 6.671,84 77.168,85 10.887,86 0.676,87 1.181,88 31.563,89 8.793,90 88.219,91 13.306,92 0.624,93 0.966,94 35.355,95 8.652,96 70.473,97 12.785,98 0.681,99 0.777,100 33.24,101 7.365,102 73.127,103 10.082,104 53,105 36,106 0.302,107 0.676,108 0.806,109 0.837,110 0.837,111 0.837,112 3.304,113 0.942,114 -3.3,115 -3.28,116 -3.15,119 33.3,120 1,121 1,125 4,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 4,172 3,173 3,175 1,178 6,180 1,182 7,185 2,187 1,189 6,191 1,193 11,195 1,196 3,197 1,198 5,200 2,201 4,204 5,205 1,207 8,210 2,212 4,215 4,218 4,220 2,221 3,223 1,224 1,225 1,226 2,229 1,231 2,233 2,234 4,236 1,237 1,239 4,241 1,243 2,245 2,246 2,248 2,249 2,251 6,254 1,260 1,262 1,263 1,265 5,270 1,273 1000,274 17.455,275 17.455,276 17.455,277 17.455,278 17.455,279 15.783,280 20.702,281 10.509,282 17.94,283 13.174,284 13.174,285 13.174,286 13.174,287 13.174,288 10.575,289 25.127,290 4.712,291 14.036,292 3.828,293 1.659,294 0.906,295 0.724,296 0.724,297 0.724,298 3.966,299 1,300 1,301 1,302 1,303 533,304 3.674,307 182.914,314 1.577,315 32.543,317 1,318 0.75,319 0.67,320 0.83,321 0.9,322 1,323 0.67,324 0.5,325 0.76,326 57.833,327 265,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.4,335 11.076,336 3.094,337 4.184,338 3.111,339 6.048,340 3.728,341 2.797,342 3.815,344 8.675,345 2.587,346 3.647,347 2.722,348 5.33,349 3.406,350 2.464,351 3.013,353 6.914,354 2.315,355 3.537,356 2.385,357 5.295,358 3.178,359 2.254,360 2.649,362 6.606,363 2.067,364 3.3,365 2.226,366 5.038,367 2.932,368 1.985,369 2.548,371 5.702,372 1.876,373 3.109,374 1.975,375 4.756,376 2.682,377 1.733,378 2.323,380 4.932,381 1.638,382 2.935,383 1.82,384 4.236,385 2.468,386 1.547,387 2.054,389 3.966,390 1.371,391 2.405,392 1.672,393 3.329,394 2.17,395 1.247,396 1.247,398 2.117,399 1.142,400 2.247,401 1.396,402 3.295,403 1.952,404 1,405 1.244,407 1.947,408 0.944,409 1.763,410 0.838,411 3.247,412 1.549,413 0.589,414 0.672,415 1.155,416 0.551,417 1.699,418 0.665,419 2.755,420 1.41,421 0.483,422 0.578,423 0.848,424 0.44,425 1.381,426 0.408,427 2.684,428 1.036,429 0.124,430 0.149,431 0.24,432 0.106,433 1.075,434 0.103,435 2.446,436 0.636,437 -0.239,438 -0.292,439 -0.568,440 -0.189,441 0.825,442 0.026,443 2.254,444 0.438,445 -0.445,446 -0.445,448 -0.632,449 -0.379,450 0.674,451 -0.305,452 2.196,453 0.409,454 -0.478,455 -0.587,457 -1.148,458 -0.437,459 12.181,460 0.468,461 0.592,462 0.023,463 31.5,464 1.212,465 15,466 0.577,467 16.5,468 0.635,469 22.505,470 0.866,471 29.819,472 0.621,473 24.949,474 0.96,475 6.326,476 0.243,477 6.168,478 0.237,479 0.22,481 0.32,485 0.963,486 1.317,487 0.715,488 1,489 1.102,490 0.942,491 0.834,492 1.13,493 0.708,494 0.938,495 0.787,496 0.914,497 0.995,498 1.079,499 0.854,500 0.755,501 0.871,502 0.769,503 0.82,504 1.32,505 0.968,506 1.134,507 0.652,508 1.077,509 1.093,510 1.178,511 0.932,512 1.001,513 1.113,514 1.09,515 0.822,516 0.966,517 0.846,518 0.916,519 0.85,520 0.976,521 0.817,522 0.949,523 1.21,524 1.139,525 0.771,526 1.026,527 1.154,528 0.905,529 1.818,530 1.417,531 1.07,532 1.23,533 5.5,534 0.14,535 2.889,536 2.188,537 1.578,538 1.014,539 0.69,540 0.408,541 0.337,542 0.167,543 6843,544 23276,545 1.931,546 45.8,547 3,548 11,551 6,552 2,555 1.694,556 1.773,557 3.327,558 3.544,559 1,560 1,564 84.319,565 1.757,566 3.926,567 4.679,568 4.861,569 4.861,570 4.861,571 2.738,572 3.902,573 4.67,574 3.493,575 1135.08,576 8.113,577 14287.5,579 1,581 1,582 268.078,583 1.526,584 4.606,585 0.204,586 0.008,587 0.08,588 0.055,589 0.039,590 0.028,591 0.021,592 0.014,593 0.014,594 0.008,595 0.471,596 0.17,597 1,598 1.855,599 127.077,600 -0.111,601 0.038,602 -0.014,603 0.071,604 -0.209,605 0.045,606 0.019,607 0.053,608 0.082,609 0.094,610 0.01,611 0.079,612 -0.076,613 0.007,614 0.08,615 0.212,616 -0.076,617 0.19,618 0.008,619 -0.147,620 -0.071,621 -0.139,622 0.068,623 -0.111,624 -0.168,625 -0.06,626 -0.155,627 -0.082,628 -0.175,629 -0.163,630 0.039,631 0.005,632 0.07,633 0.07,634 0.021,635 0.024,636 0.115,637 -0.048,638 0.108,639 -0.046,640 0.076,641 0.025,642 0.05,643 -0.004,644 -0.196,645 -0.27,646 0.032,647 -0.19,648 1.605,649 3.029,650 0.462,651 23.385,652 1.016,653 1.149,654 2.067,655 4.272,656 0.644,657 3.332,658 3.611,659 3.85,660 4.094,661 4.263,662 4.317,663 4.357,664 4.369,665 4.382,666 4.331,667 6.197,668 0.617,669 379.9,670 3.332,671 4.844,672 5.673,673 6.541,674 7.394,675 8.272,676 9.136,677 10.018,678 10.888,679 11.774,680 14.6,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 48,719 13,720 1,721 27,723 49,724 16,725 10,726 3,727 3,729 2,730 2,731 1,734 3,739 1,741 10,742 6,744 1,750 2,753 1,754 1,757 22,758 9,759 6,760 10,761 1,764 7,769 1,770 2,771 2,776 1,781 2,800 2,802 2,806 1,807 1,810 26,811 2,815 2,816 5,821 1,828 1,829 4.2,830 2,836 14.667,837 8.46,838 6.111,839 2.752,840 2.764,841 1.407,842 0.903,843 7.536,844 9.561,845 3.555,846 4.111,847 4.677,848 5.252,849 5.785,850 6.078,851 6.417,852 6.745,853 7.062,854 7.283,855 0.857,856 40,857 9.525,859 3.875,860 8.011,861 17.659,863 13.59,865 2.511,866 65.278,870 188.338,871 63.612,872 135.571,873 39.149,874 85.367,877 63.612,878 312.853,879 135.571,880 8.825,881 9.748,882 179.59,883 33.571,884 15.385,885 37.431,886 188.338,887 39.149,888 188.338,889 199.183,890 85.367,891 39.149,893 188.338,895 85.367,897 23.229,898 109.18,899 105.923,901 188.338,902 220.937,903 102.761,906 188.338,907 26.358,908 40.256,910 257.084,911 188.338,912 220.937,913 102.761,915 0.56,916 0.333,917 0.189,918 0.1,919 14,920 8,921 0.163,922 8,924 1,925 3.624,926 205.613,928 12,929 116.211,933 20.326,934 9.639,935 5.256,937 220.937,938 5.209,939 8.267,943 3.373,945 151.161,946 512.036,947 34,953 8.142,956 48.76,957 55.173,958 0.315,959 0.703,960 0.838,961 0.87,962 0.87,963 0.87,964 4.771,965 1.247,966 5.652,967 3.966,968 4.29,969 4.796,970 0.278,971 6.454,972 4.173,973 5.967,974 1,975 7.209,976 2.117,977 3.892,978 4.62,980 7.372,981 3.696,982 7.268,983 0.589,984 8.867,985 1.947,986 5.866,987 6.974,988 0.05,989 10.467,990 5.664,991 8.608,992 0.483,993 10.585,994 1.155,995 6.275,996 7.607,998 12.226,999 6.012,1000 9.98,1001 0.124,1002 12.342,1003 0.848,1004 7.73,1005 9.456,1006 0.008,1007 14.856,1008 7.459,1009 11.376,1010 -0.239,1011 14.126,1012 0.24,1013 8.52,1014 10.478,1016 16.982,1017 8.209,1018 12.79,1019 -0.445,1020 15.932,1021 -0.568,1022 9.769,1023 12.109,1024 0.001,1025 19.457,1026 9.445,1027 3.171,1028 -0.478,1029 17.755,1030 -0.632,1031 10.743,1032 13.331,1034 21.742,1035 10.391,1036 2.797,1037 11.076,1038 19.591,1039 -1.148,1040 11.913,1041 14.859,1043 24.164,1044 11.547,1045 2.464,1046 8.675,1047 21.439,1048 4.257,1049 12.973,1050 16.183,1052 26.516,1053 12.586,1054 2.254,1055 6.914,1056 23.297,1057 3.815,1058 14.116,1059 17.663,1061 28.921,1062 13.713,1063 1.985,1064 6.606,1065 25.163,1066 3.013,1067 15.218,1068 19.04,1070 31.302,1071 14.796,1072 1.733,1073 5.702,1074 27.036,1075 2.649,1076 16.354,1077 20.496,1079 33.703,1080 15.916,1081 1.547,1082 4.932,1083 28.915,1084 2.548,1085 17.476,1086 21.901,1088 36.096,1089 17.02,1090 7109,1091 13215,1092 17.107,1093 30.898,1094 39.262,1095 39.696,1096 41.567,1097 39.005,1098 38.789,1099 49.094,1100 0.8,1101 108.358,1102 36.26,1103 5.337,1104 5.278,1105 6.572,1106 5.216,1107 5.171,1108 7.257,1109 0.8,1110 17.964,1111 5.094,1112 16.204,1113 1.454,1114 1.47,1115 1.54,1116 1.445,1117 1.437,1118 1.818,1119 0.03,1120 4.013,1121 1.343,1122 4.014,1123 4.048,1124 4.055,1125 3.935,1126 6.459,1127 3.939,1128 3.776,1129 3.834,1130 3.824,1131 3.629,1132 6.453,1133 3.644,1134 3.679,1135 3.741,1136 3.583,1137 3.448,1138 5.287,1139 3.464,1140 3.392,1141 3.485,1142 3.292,1143 3.193,1144 5.036,1145 3.185,1146 3.368,1147 3.427,1148 3.204,1149 3.126,1150 4.975,1151 3.124,1152 3.137,1153 3.233,1154 3.178,1155 2.903,1156 4.71,1157 2.926,1158 3.064,1159 3.165,1160 3.038,1161 2.811,1162 4.465,1163 2.827,1164 2.875,1165 2.959,1166 2.898,1167 2.621,1168 4.222,1169 2.64,1170 0.168,1171 0.121,1172 0.251,1173 0.154,1174 0.117,1175 4.535,1176 0.158,1177 3.278,1178 0.015,1179 6.77,1180 0.41,1181 4.146,1182 0.115,1183 3.171,1184 4.257,1185 0.4,1186 11.076,1187 3.094,1188 1.957,1189 1.935,1190 2.024,1191 2.064,1192 1.189,1193 2.053,1194 1.71,1195 1.665,1196 1.863,1197 1.917,1198 1.111,1199 1.898,1200 1.608,1201 1.538,1202 1.836,1203 1.829,1204 1.004,1205 1.833,1206 1.381,1207 1.296,1208 1.643,1209 1.633,1210 0.873,1211 1.652,1212 1.327,1213 1.262,1214 1.615,1215 1.612,1216 0.596,1217 1.62,1218 1.021,1219 0.948,1220 1.267,1221 1.378,1222 0.189,1223 1.357,1224 0.959,1225 0.885,1226 1.167,1227 1.305,1228 0.151,1229 1.256,1230 0.812,1231 0.714,1232 1.12,1233 1.099,1234 0.126,1235 1.118,1236 4.007,1238 5.293,1240 6.783,1242 8.378,1244 10.03,1246 1.947,1247 6.206,1250 11.708,1251 18.059,1252 0.921,1257 1.446,1262 29.621,1263 84.319,1264 188.463,1265 224.568,1266 233.323,1267 233.323,1268 233.323,1269 62.889,1270 6.797,1271 146.24,1272 146.24,1273 12,1274 12.309,1275 3.807,1276 3,1277 54.814,1278 97,1279 96,1280 0.283,1281 192.855,1282 330.15,1283 462.326,1284 7052,1285 2.1,1286 19.104,1287 0.735,1288 0.584,1289 19.604,1290 15.187,1291 12.494,1292 0.463,1293 0.314,1294 7.981,1295 11.592,1296 7.785,1297 6.46,1298 12.783,1299 8.476,1300 10.631,1301 0.295,1302 0.161,1303 11.002,1304 5.806,1305 8.492,1306 0.185,1307 0.085,1308 8.872,1309 3.914,1310 7.218,1311 0.122,1312 0.043,1313 7.453,1314 2.56,1315 5.421,1316 0.077,1317 0.023,1318 5.663,1319 1.618,1320 0.44,1321 82.468,1322 0.242,1323 24.975,1324 0.788,1325 126,1326 417.353,1327 156.36,1328 433.089,1329 572.91,1330 402,1331 145,1332 394.324,1333 171.323,1334 405.485,1335 587.2,1336 381,1337 5.301}
{0 CHEMBL440946,1 1.447,2 8.227,3 3.714,4 13.792,5 92.196,6 6.532,7 0.522,8 3.888,9 4.036,10 3.312,11 3.387,12 4.998,13 3.341,14 4.395,15 4.605,16 3.676,17 3.783,18 5.417,19 3.706,20 4.644,21 4.851,22 3.779,23 3.971,24 5.655,25 3.874,26 4.841,27 5.089,28 3.742,29 4.012,30 5.867,31 3.885,32 4.829,33 5.072,34 3.617,35 3.984,36 5.79,37 3.842,38 4.781,39 5.045,40 3.496,41 3.945,42 5.624,43 3.769,44 4.843,45 5.165,46 3.443,47 3.85,48 5.598,49 3.65,50 4.666,51 4.973,52 3.385,53 3.595,54 5.723,55 3.44,56 0.072,57 0.671,58 10.885,59 4.054,60 14.48,61 5.984,62 0.187,63 1.024,64 18.284,65 7.295,66 23.751,67 10.414,68 0.13,69 1.26,70 23.522,71 8.749,72 26.292,73 12.983,74 0.311,75 1.354,76 29.347,77 10.171,78 55.012,79 15.024,80 0.345,81 1.306,82 29.183,83 9.945,84 59.445,85 14.645,86 0.203,87 1.282,88 27.188,89 9.764,90 36.471,91 14.843,92 0.187,93 1.221,94 29.088,95 9.998,96 36.436,97 15.65,98 0.385,99 1.042,100 25.146,101 6.616,102 63.289,103 11.397,104 54,105 33,106 0.253,107 0.582,108 0.695,109 0.71,110 0.71,111 0.71,112 3.147,113 0.981,114 -4.5,115 -4.43,116 -4.17,119 37,120 4,121 1,122 2,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 12,169 1,170 2,172 3,173 3,175 3,178 15,180 1,182 2,187 5,189 14,191 1,193 2,195 1,196 1,197 1,198 7,200 2,201 15,204 2,205 1,207 4,212 4,215 14,218 3,221 4,226 4,229 8,231 3,234 4,239 4,243 4,246 8,249 2,250 1,251 6,253 1,256 6,265 2,270 2,273 624,274 13.93,275 13.93,276 13.93,277 13.93,278 13.93,279 12.374,280 20.657,281 7.958,282 14.137,283 11.287,284 11.287,285 11.287,286 11.287,287 11.287,288 8.898,289 24.694,290 3.737,291 11.643,292 4.077,293 2.19,294 1.544,295 1.457,296 1.457,297 1.457,298 3.797,300 1,301 1,302 1,303 365,304 3.24,307 151.291,314 1.248,315 20.494,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 47,327 181,328 4.48,329 3.399,330 6.683,331 4.139,332 3.151,333 4.146,334 0.68,335 10.634,336 3.11,337 4.232,338 3.076,339 6.089,340 3.824,341 2.864,342 3.877,344 8.845,345 2.755,346 3.659,347 2.779,348 5.859,349 3.491,350 2.491,351 2.935,353 7.772,354 2.491,355 3.603,356 2.525,357 5.267,358 3.251,359 2.287,360 2.875,362 6.677,363 2.206,364 3.361,365 2.159,366 4.918,367 2.944,368 2,369 2.66,371 5.636,372 1.876,373 2.822,374 1.904,375 4.529,376 2.598,377 1.628,378 1.951,380 4,381 1.572,382 2.72,383 1.557,384 4.132,385 2.348,386 1.414,387 1.732,389 3.657,390 1.317,391 2.268,392 1,393 3.71,394 2,395 1,396 1.222,398 2.501,399 1,400 1.687,401 0.746,402 3.167,403 1.4,404 0.452,405 0.537,407 1.126,408 0.426,409 1.278,410 0.367,411 2.592,412 0.966,413 0.035,414 0.041,415 0.084,416 0.033,417 0.799,418 -0.313,419 2.571,420 0.394,421 -0.514,422 -0.621,423 -1.242,424 -0.465,425 0.732,426 -0.327,427 2.359,428 0.343,429 -0.639,430 -0.75,431 -1.719,432 -0.608,433 0.574,434 -0.533,435 2.101,436 0.315,437 -0.657,438 -0.859,439 -2,440 -0.657,441 0.081,442 -0.932,443 1.704,445 -1,446 -1,448 -2,449 -1,451 -1,452 1.639,454 -1,455 -1,457 -2.052,458 -1,459 10.433,460 0.474,461 0.795,462 0.036,463 26.75,464 1.216,465 13.5,466 0.614,467 13.25,468 0.602,469 20.564,470 0.935,471 24.967,472 0.543,473 18.566,474 0.844,475 4.769,476 0.217,477 5.522,478 0.251,479 0.3,481 0.431,485 1.109,486 1.243,487 0.997,488 1.079,489 1.234,490 1.029,491 0.433,492 0.891,493 0.73,494 0.963,495 0.427,496 0.899,497 0.843,498 1.276,499 1.013,500 1.257,501 0.808,502 1.17,503 1.141,504 0.984,505 1.045,506 1.091,507 1.156,508 1.07,509 1.595,510 1.019,511 1.205,512 1.066,513 1.66,514 1.111,515 0.757,516 1.167,517 1.123,518 1.242,519 0.762,520 1.232,521 0.396,522 1.024,523 0.693,524 0.971,525 0.433,526 0.885,527 0.812,528 1.165,529 0.877,530 0.977,531 0.762,532 0.936,533 6,535 2.889,536 2.063,537 1.658,538 0.819,539 0.589,540 0.514,541 0.189,542 0.194,543 4115,544 9997,545 1.894,546 52.2,547 16,548 2,550 1,551 5,555 1.65,556 1.692,557 3.001,558 2.689,560 1,564 66.558,565 1.447,566 3.333,567 3.98,568 4.067,569 4.067,570 4.067,571 2.409,572 3.607,573 4.433,574 3.173,575 732.987,576 7.64,577 8014.46,579 1,581 1,582 254.084,583 1.564,584 4.332,585 0.261,587 0.088,588 0.059,589 0.052,590 0.029,591 0.025,592 0.022,593 0.009,594 0.024,595 0.569,597 1,598 1.043,599 99.867,600 -0.151,601 0.062,602 -0.009,603 0.095,604 -0.231,605 0.067,606 0.279,607 0.257,608 0.226,609 0.162,610 0.231,611 0.178,612 -0.024,613 -0.145,614 -0.053,615 -0.145,616 -0.021,617 -0.106,618 -0.025,619 0.021,620 -0.06,621 -0.064,622 0.005,623 -0.066,624 -0.255,625 -0.044,626 -0.205,627 -0.038,628 -0.242,629 -0.114,630 -0.069,631 -0.169,632 -0.184,633 -0.202,634 -0.072,635 -0.208,636 0.168,637 -0.18,638 0.233,639 0.005,640 0.128,641 0.108,642 0.275,643 -0.252,644 0.122,645 -0.096,646 0.273,647 -0.021,648 1.488,649 4.445,650 0.545,651 15.851,652 0.991,653 1.138,654 3.273,655 10.713,656 0.632,657 3.178,658 3.526,659 3.738,660 3.951,661 4.143,662 4.111,663 4.19,664 4.19,665 4.078,666 4.143,667 5.139,668 0.588,669 300.45,670 3.178,671 4.727,672 5.565,673 6.447,674 7.307,675 8.19,676 9.059,677 9.94,678 10.814,679 11.695,680 8.7,684 2,690 2,695 3,696 2,700 7,702 12,711 2,715 1,718 46,719 12,720 1,721 23,723 47,724 17,725 10,726 4,727 2,729 2,730 2,734 4,739 1,741 10,742 7,743 2,754 1,757 24,758 5,759 5,760 5,764 4,769 1,770 1,776 1,781 2,802 2,806 4,810 22,811 2,815 1,816 1,820 2,829 2.2,831 1,836 13,837 9.183,838 4.806,839 2.788,840 2.254,841 1.349,842 0.921,843 4.916,844 8.708,845 3.401,846 4.025,847 4.559,848 5.085,849 5.602,850 5.706,851 5.97,852 6.231,853 6.506,854 6.841,855 1,856 35,857 8.108,859 3.338,860 7.765,861 15.483,863 12.435,865 2.265,866 49.833,869 1,870 223.651,871 82.805,872 99.365,874 42.683,877 82.805,878 266.334,879 99.365,880 35.301,881 2.535,882 84.747,883 88.026,884 21.79,885 4.227,886 211.88,888 223.651,889 182.17,890 42.683,893 223.651,894 42.683,897 48.782,898 99.817,899 33.571,901 223.651,902 142.049,903 82.805,906 223.651,907 19.504,908 63.301,910 142.049,911 223.651,912 142.049,913 82.805,915 0.597,916 0.342,917 0.175,918 0.096,919 15,920 9,921 0.085,922 4,924 1,925 3.198,926 167.616,928 12,929 84.107,933 16.563,934 6.53,935 3.705,937 142.049,938 5.72,939 8.003,943 4.813,945 108.478,946 448.504,947 29,956 45.571,957 52.355,958 0.262,959 0.603,960 0.72,961 0.736,962 0.736,963 0.736,964 4.654,965 1,966 5.595,967 3.657,968 4.205,969 4.71,970 0.655,971 6.422,972 4.148,973 5.89,974 0.452,975 7.182,976 2.501,977 4.007,978 4.677,980 7.372,981 3.932,982 7.213,983 0.035,984 8.864,985 1.126,986 5.826,987 6.914,988 0.356,989 10.44,990 5.729,991 8.568,992 -0.514,993 10.598,994 0.084,995 6.347,996 7.598,998 12.148,999 6.235,1000 9.949,1001 -0.639,1002 12.363,1003 -1.242,1004 7.727,1005 9.396,1006 0.18,1007 14.768,1008 7.597,1009 11.349,1010 -0.657,1011 14.151,1012 -1.719,1013 8.569,1014 10.418,1016 16.814,1017 8.424,1018 12.765,1019 -1,1020 15.956,1021 -2,1022 9.784,1023 12.024,1024 0.087,1025 19.266,1026 9.623,1027 3.151,1028 -1,1029 17.773,1030 -2,1031 10.775,1032 13.222,1034 21.472,1035 10.599,1036 2.864,1037 10.634,1038 19.602,1039 -2.052,1040 11.928,1041 14.733,1042 0.041,1043 23.861,1044 11.737,1045 2.491,1046 8.845,1047 21.438,1048 4.146,1049 12.99,1050 16.026,1052 26.144,1053 12.785,1054 2.287,1055 7.772,1056 23.283,1057 3.877,1058 14.122,1059 17.487,1060 0.019,1061 28.509,1062 13.903,1063 2,1064 6.677,1065 25.133,1066 2.935,1067 15.218,1068 18.832,1070 30.83,1071 14.986,1072 1.628,1073 5.636,1074 26.989,1075 2.875,1076 16.345,1077 20.267,1078 0.009,1079 33.188,1080 16.1,1081 1.414,1082 4,1083 28.849,1084 2.66,1085 17.459,1086 21.641,1088 35.528,1089 17.201,1090 4298,1091 6813,1092 14.046,1093 29.091,1094 35,1095 35.215,1096 37.054,1097 34.615,1098 34.646,1099 43.952,1100 1.36,1101 101.863,1102 33.572,1103 5.256,1104 5.399,1105 5.986,1106 5.208,1107 5.151,1108 7.146,1109 1.36,1110 17.854,1111 5.11,1112 15.127,1113 1.522,1114 1.531,1115 1.611,1116 1.505,1117 1.506,1118 1.911,1119 0.059,1120 4.429,1121 1.46,1122 4.027,1123 4.055,1124 3.974,1125 3.964,1126 6.467,1127 3.962,1128 3.837,1129 3.889,1130 3.796,1131 3.682,1132 5.29,1133 3.703,1134 3.597,1135 3.666,1136 3.428,1137 3.478,1138 4.979,1139 3.458,1140 3.439,1141 3.512,1142 3.279,1143 3.295,1144 4.613,1145 3.282,1146 3.162,1147 3.251,1148 3.023,1149 2.934,1150 4.432,1151 2.948,1152 3.001,1153 3.11,1154 2.853,1155 2.674,1156 4.19,1157 2.707,1158 2.874,1159 3.009,1160 2.703,1161 2.618,1162 4.064,1163 2.584,1164 2.874,1165 3.009,1166 2.499,1167 2.618,1168 3.745,1169 2.57,1170 0.195,1171 0.148,1172 0.291,1173 0.18,1174 0.137,1175 4.48,1176 0.18,1177 3.399,1178 0.03,1179 6.683,1180 0.462,1181 4.139,1182 0.135,1183 3.151,1184 4.146,1185 0.68,1186 10.634,1187 3.11,1188 1.994,1189 1.973,1190 2.105,1191 2.08,1192 1.345,1193 2.087,1194 1.77,1195 1.724,1196 1.903,1197 1.956,1198 1.117,1199 1.935,1200 1.628,1201 1.564,1202 1.888,1203 1.795,1204 1.063,1205 1.836,1206 1.443,1207 1.375,1208 1.677,1209 1.632,1210 0.728,1211 1.66,1212 1.099,1213 1.027,1214 1.417,1215 1.401,1216 0.469,1217 1.392,1218 0.934,1219 0.804,1220 1.417,1221 1.283,1222 0.469,1223 1.308,1224 0.934,1225 0.804,1226 1.347,1227 1.239,1228 0.356,1229 1.308,1230 0.895,1231 0.787,1232 1.223,1233 1.239,1234 0.142,1235 1.278,1236 3.85,1238 5.187,1240 6.711,1242 8.324,1244 9.986,1246 8.292,1250 11.447,1251 10.445,1252 0.617,1256 0.495,1262 27.068,1263 66.558,1264 153.329,1265 183.064,1266 187.064,1267 187.064,1268 187.064,1269 46.079,1270 6.454,1271 98.05,1272 98.05,1273 12,1274 12.232,1275 3.7,1276 2.807,1277 42.002,1278 67,1279 70,1280 0.314,1281 172.662,1282 293.09,1283 413.056,1284 4283,1286 16.439,1287 0.747,1288 0.618,1289 16.439,1290 13.59,1291 10.291,1292 0.447,1293 0.327,1294 7.452,1295 10.02,1296 7.071,1297 6.022,1298 10.291,1299 7.517,1300 9.904,1301 0.3,1302 0.189,1303 9.904,1304 6.248,1305 7.52,1306 0.183,1307 0.092,1308 7.52,1309 3.784,1310 6.07,1311 0.119,1312 0.049,1313 6.07,1314 2.517,1315 4.64,1316 0.075,1317 0.029,1318 4.64,1319 1.776,1320 0.477,1321 63.761,1322 0.267,1323 21.293,1324 0.907,1325 112,1326 276.064,1327 120.154,1328 279.456,1329 383.29,1330 258,1331 130,1332 289.002,1333 137.654,1334 299.205,1335 431.61,1336 279,1337 5.097}
{0 CHEMBL441062,1 1.785,2 12.059,3 4.763,4 22.686,5 134.553,6 8.237,7 0.5,8 4.174,9 4.302,10 3.805,11 3.671,12 5.397,13 3.668,14 4.665,15 4.842,16 4.159,17 4.016,18 5.896,19 3.995,20 4.89,21 5.088,22 4.265,23 4.137,24 6.082,25 4.111,26 4.92,27 5.121,28 4.238,29 4.141,30 6.146,31 4.102,32 5.006,33 5.233,34 4.223,35 4.171,36 6.169,37 4.121,38 5.055,39 5.301,40 4.269,41 4.216,42 6.191,43 4.14,44 5.039,45 5.273,46 4.314,47 4.192,48 6.237,49 4.107,50 4.899,51 5.112,52 4.246,53 4.124,54 6.075,55 4.054,56 0.169,57 0.958,58 10.524,59 4.915,60 19.442,61 6.156,62 0.478,63 1.414,64 21.004,65 8.2,66 43.849,67 10.631,68 0.704,69 1.691,70 30.161,71 8.997,72 73.204,73 11.816,74 0.734,75 1.784,76 30.784,77 9.315,78 83.507,79 12.48,80 0.828,81 1.819,82 32.789,83 9.217,84 87.776,85 13.356,86 0.79,87 1.817,88 37.081,89 11.297,90 93.153,91 15.95,92 1.022,93 1.607,94 43.645,95 11.954,96 113.491,97 16.153,98 0.753,99 1.473,100 38.948,101 11.171,102 70.345,103 14.186,104 57,105 49,106 0.289,107 0.661,108 0.824,109 0.889,110 0.894,111 0.894,112 3.56,113 0.909,114 -5.48,115 -5.36,116 -5,119 39,120 2,121 1,125 3,139 7,140 3,141 3,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 9,169 3,170 7,172 3,173 3,175 1,178 10,180 1,181 1,182 9,187 1,189 8,191 1,192 1,193 15,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 2,207 14,212 4,215 4,218 4,220 3,221 8,223 1,224 1,226 2,229 2,231 2,233 3,234 10,236 1,237 1,239 2,241 6,243 2,245 2,246 7,248 2,249 2,254 9,260 6,262 1,263 1,265 1,268 12,270 1,273 2180,274 22.507,275 22.507,276 22.507,277 22.507,278 22.507,279 19.824,280 26.417,281 13.349,282 23.07,283 17.687,284 17.687,285 17.687,286 17.687,287 17.687,288 13.657,289 30.56,290 6.258,291 18.662,292 4.098,293 1.807,294 0.799,295 0.398,296 0.365,297 0.365,298 4.239,299 1,302 1,303 849,304 4.183,307 380.374,314 1.765,315 45.454,318 0.75,319 0.5,320 0.83,321 0.8,322 0.5,323 1,324 1,325 0.77,326 75.333,327 410,328 4.535,329 3.627,330 6.77,331 4.146,332 3.171,333 4.257,334 2.443,335 11.076,336 3.094,337 4.196,338 3.279,339 6.068,340 3.813,341 2.852,342 3.816,343 0.657,344 8.772,345 2.739,346 4.165,347 3.22,348 6.042,349 3.717,350 2.782,351 3.778,352 0.286,353 8.654,354 2.577,355 3.642,356 3.109,357 5.311,358 3.332,359 2.389,360 3.012,362 6.755,363 2.245,364 3.569,365 2.677,366 5.276,367 3.186,368 2.256,369 2.724,371 6.594,372 2.101,373 3.478,374 2.385,375 5.038,376 3.144,377 2.183,378 2.618,380 5.702,381 2.052,382 3.3,383 2.226,384 4.756,385 2.932,386 1.985,387 2.548,389 5.156,390 1.876,391 3.109,392 1.984,393 4.65,394 2.682,395 1.733,396 2.324,398 4.932,399 1.637,400 2.955,401 1.934,402 4.244,403 2.482,404 1.549,405 2.104,407 3.989,408 1.439,409 2.867,410 1.839,411 4.132,412 2.416,413 1.434,414 2.018,415 3.685,416 1.361,417 2.798,418 1.687,419 3.599,420 2.374,421 1.414,422 1.903,423 2.971,424 1.337,425 2.39,426 1.478,427 3.341,428 2.035,429 1.073,430 1.256,431 2.308,432 1.02,433 2.021,434 0.845,435 3.327,436 1.583,437 0.63,438 0.839,439 1.449,440 0.584,441 1.748,442 0.716,443 3.126,444 1.535,445 0.558,446 0.643,448 1.107,449 0.541,450 1.398,451 0.624,452 2.753,453 1.077,454 0.163,455 0.192,457 0.337,458 0.139,459 15.967,460 0.47,461 0.894,462 0.026,463 44,464 1.294,465 22.5,466 0.662,467 21.5,468 0.632,469 30.628,470 0.901,471 37.433,472 0.634,473 37.844,474 1.113,475 8.948,476 0.263,477 7.33,478 0.216,479 0.196,481 0.338,483 1,485 0.704,486 1.135,487 0.652,488 1.013,489 0.698,490 0.923,491 0.686,492 1.021,493 0.659,494 0.935,495 0.521,496 0.881,497 1.206,498 1.155,499 0.96,500 0.896,501 1.05,502 0.896,503 1.069,504 1.287,505 1.06,506 1.145,507 1.104,508 1.124,509 0.936,510 1.064,511 0.889,512 0.944,513 0.879,514 1.015,515 0.805,516 0.941,517 0.849,518 0.909,519 0.753,520 0.947,521 0.912,522 0.846,523 1.182,524 1.002,525 0.856,526 0.967,527 1.051,528 0.818,529 1.355,530 1.035,531 0.848,532 0.943,533 7.5,534 0.293,535 3.778,536 2.688,537 2,538 1.187,539 0.851,540 0.589,541 0.592,542 0.326,543 15578,544 51755,545 1.977,546 42.4,547 3,548 13,551 4,552 5,555 1.765,556 1.821,557 3.538,558 1.604,564 105.286,565 1.785,566 4.076,567 5.083,568 5.484,569 5.518,570 5.518,571 2.913,572 4.793,573 5.061,574 3.758,575 2108.02,576 8.902,577 33161.3,582 347.076,583 1.508,584 4.999,585 0.208,586 0.008,587 0.077,588 0.052,589 0.04,590 0.024,591 0.017,592 0.013,593 0.013,594 0.007,595 0.459,597 0.75,598 1.308,599 182.616,600 -0.025,601 0.01,602 0.013,604 -0.094,605 0.017,606 0.128,607 0.013,608 0.127,609 0.059,610 0.135,611 0.083,612 -0.179,613 -0.106,614 -0.034,615 0.065,616 -0.131,617 0.038,618 -0.075,619 -0.142,620 -0.148,621 -0.185,622 -0.1,623 -0.194,624 -0.078,625 -0.069,626 -0.081,627 -0.05,628 -0.097,629 -0.095,630 0.018,631 0.019,632 0.076,633 0.041,634 0.005,635 0.033,636 0.095,637 0.057,638 0.06,639 0.027,640 0.042,641 0.045,642 -0.024,643 0.081,644 -0.007,645 0.039,646 -0.014,647 0.081,648 2.089,649 6.168,650 0.529,651 36.118,652 1.018,653 1.141,654 4.249,655 18.051,656 0.667,657 3.611,658 3.912,659 4.127,660 4.357,661 4.554,662 4.595,663 4.644,664 4.718,665 4.796,666 4.787,667 7.559,668 0.645,669 486,670 3.611,671 5.142,672 5.969,673 6.834,674 7.682,675 8.554,676 9.411,677 10.286,678 11.149,679 12.027,680 11.9,684 2,687 1,690 2,692 2,695 7,696 2,700 9,702 18,711 2,717 2,718 59,719 20,720 2,721 36,723 61,724 23,725 16,726 5,727 7,729 3,730 3,731 1,734 2,739 1,741 17,742 6,744 2,748 1,750 2,751 1,755 1,757 25,758 10,759 4,760 11,761 1,764 7,769 1,770 2,776 1,781 3,793 1,802 3,806 2,807 1,808 1,810 34,811 2,816 4,818 1,821 1,828 2,829 3.4,832 1,834 1,836 18.667,837 11.119,838 7.639,839 3.442,840 3.751,841 1.5,842 0.959,843 8.883,844 11.245,845 3.871,846 4.449,847 4.972,848 5.517,849 6.042,850 6.26,851 6.578,852 6.933,853 7.287,854 7.563,855 0.875,856 52,857 12.532,859 5.22,860 8.008,861 23.152,863 18.049,865 2.508,866 85.278,870 247.193,871 134.433,872 135.571,873 39.149,874 36.145,875 14.96,877 134.433,878 322.487,879 150.531,880 17.65,881 14.34,882 132.128,883 65.907,884 38.692,885 52.391,886 247.193,887 39.149,888 247.193,889 270.003,890 51.105,891 39.149,893 262.153,894 36.145,897 36.646,898 166.582,899 105.923,901 262.153,902 171.716,903 173.581,906 247.193,907 50.449,908 86.986,910 222.822,911 247.193,912 186.676,913 173.581,915 0.576,916 0.326,917 0.173,918 0.095,919 20,920 11,921 0.164,922 10,924 1,925 4.34,926 303.852,928 18,929 172.974,933 25.505,934 11.842,935 6.943,937 186.676,938 11.499,939 8.333,943 3.147,945 65.794,946 607.45,947 47,951 11.134,953 8.504,954 -0.423,956 60.04,957 67.343,958 0.303,959 0.693,960 0.864,961 0.932,962 0.938,963 0.938,964 5.097,965 1.733,966 5.953,967 5.156,968 4.595,969 5.136,970 2.477,971 6.737,972 4.492,973 6.304,974 1.549,975 7.501,976 4.932,977 4.205,978 4.945,979 2.243,980 7.612,981 4.03,982 7.604,983 1.434,984 9.147,985 3.989,986 6.163,987 7.298,988 3.849,989 10.693,990 5.977,991 8.937,992 1.414,993 10.852,994 3.685,995 6.553,996 7.886,997 4.269,998 12.41,999 6.304,1000 10.3,1001 1.073,1002 12.595,1003 2.971,1004 8.005,1005 9.747,1006 5.487,1007 15.027,1008 7.748,1009 11.684,1010 0.63,1011 14.367,1012 2.308,1013 8.768,1014 10.721,1015 6.158,1016 17.12,1017 8.464,1018 13.087,1019 0.558,1020 16.159,1021 1.449,1022 10.017,1023 12.362,1024 7.208,1025 19.578,1026 9.7,1027 3.171,1028 0.163,1029 17.97,1030 1.107,1031 10.965,1032 13.542,1033 7.992,1034 21.839,1035 10.613,1036 2.852,1037 11.076,1038 19.794,1039 0.337,1040 12.13,1041 15.074,1042 8.963,1043 24.246,1044 11.763,1045 2.782,1046 8.772,1047 21.629,1048 4.257,1049 13.169,1050 16.365,1051 9.802,1052 26.582,1053 12.776,1054 2.389,1055 8.654,1056 23.475,1057 3.816,1058 14.304,1059 17.842,1060 10.734,1061 28.976,1062 13.894,1063 2.256,1064 6.755,1065 25.329,1066 3.778,1067 15.388,1068 19.194,1069 11.599,1070 31.345,1071 14.956,1072 2.183,1073 6.594,1074 27.19,1075 3.012,1076 16.515,1077 20.644,1078 12.512,1079 33.738,1080 16.065,1081 1.985,1082 5.702,1083 29.057,1084 2.724,1085 17.622,1086 22.03,1087 13.391,1088 36.124,1089 17.152,1090 15451,1091 28334,1092 23.175,1093 39.358,1094 53.204,1095 54.361,1096 55.199,1097 52.704,1098 52.515,1099 68.263,1100 6.772,1101 147.342,1102 49.637,1103 5.444,1104 5.627,1105 6.458,1106 5.216,1107 5.171,1108 7.257,1109 4.174,1110 17.964,1111 5.094,1112 21.079,1113 1.478,1114 1.51,1115 1.533,1116 1.464,1117 1.459,1118 1.896,1119 0.188,1120 4.093,1121 1.379,1122 4.021,1123 4.056,1124 4.057,1125 3.939,1126 8.201,1127 3.943,1128 3.924,1129 3.958,1130 3.874,1131 3.847,1132 7.434,1133 3.847,1134 3.767,1135 3.814,1136 3.824,1137 3.629,1138 5.287,1139 3.643,1140 3.654,1141 3.696,1142 3.566,1143 3.412,1144 5.039,1145 3.437,1146 3.457,1147 3.512,1148 3.378,1149 3.211,1150 4.975,1151 3.232,1152 3.392,1153 3.485,1154 3.286,1155 3.192,1156 4.731,1157 3.184,1158 3.145,1159 3.235,1160 3.204,1161 2.953,1162 4.626,1163 2.942,1164 3.103,1165 3.202,1166 2.993,1167 2.899,1168 4.465,1169 2.914,1170 0.126,1171 0.101,1172 0.188,1173 0.115,1174 0.088,1175 4.535,1176 0.118,1177 3.627,1178 0.068,1179 6.77,1180 0.308,1181 4.146,1182 0.086,1183 3.171,1184 4.257,1185 2.443,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.026,1191 2.065,1192 1.191,1193 2.054,1194 1.902,1195 1.875,1196 2.013,1197 2.011,1198 1.175,1199 2.011,1200 1.707,1201 1.664,1202 1.852,1203 1.875,1204 1.01,1205 1.865,1206 1.564,1207 1.514,1208 1.793,1209 1.815,1210 1.001,1211 1.807,1212 1.386,1213 1.321,1214 1.663,1215 1.65,1216 0.695,1217 1.656,1218 1.376,1219 1.295,1220 1.614,1221 1.632,1222 0.627,1223 1.643,1224 1.129,1225 1.055,1226 1.43,1227 1.383,1228 0.596,1229 1.393,1230 1.015,1231 0.941,1232 1.267,1233 1.361,1234 0.184,1235 1.354,1236 4.29,1238 5.595,1240 7.086,1242 8.671,1244 10.307,1246 3.246,1247 6.353,1248 14.168,1250 11.845,1252 0.981,1254 5.001,1257 1.489,1262 38.058,1263 105.286,1264 240.47,1265 299.915,1266 323.566,1267 325.566,1268 325.566,1269 88.638,1270 7.494,1271 132.08,1272 132.08,1273 18,1274 12.568,1275 4.392,1276 3.585,1277 67.029,1278 155,1279 138,1280 0.207,1281 242.096,1282 423.5,1283 582.475,1284 18470,1285 3.4,1286 24.665,1287 0.725,1288 0.576,1289 24.294,1290 19.589,1291 16.278,1292 0.452,1293 0.303,1294 10.385,1295 15.223,1296 10.087,1297 8.383,1298 16.156,1299 10.91,1300 14.636,1301 0.299,1302 0.158,1303 14.489,1304 7.725,1305 11.417,1306 0.187,1307 0.085,1308 11.263,1309 5.163,1310 9.335,1311 0.121,1312 0.044,1313 9.292,1314 3.402,1315 7.313,1316 0.078,1317 0.024,1318 7.308,1319 2.242,1320 0.327,1321 106.11,1322 0.208,1323 31.428,1324 0.566,1325 170,1326 614.636,1327 207.179,1328 597.486,1329 789.01,1330 554,1331 195,1332 552.718,1333 226.92,1334 558.323,1335 806.42,1336 524,1337 4.827}
{0 CHEMBL441298,1 1.594,2 10.269,3 3.337,4 11.134,5 102.189,6 7.384,7 0.607,8 3.975,9 4.094,10 3.523,11 3.443,12 5.147,13 3.446,14 4.471,15 4.642,16 3.851,17 3.798,18 5.578,19 3.784,20 4.6,21 4.755,22 3.992,23 3.97,24 5.703,25 3.943,26 4.755,27 4.929,28 4,29 4.042,30 5.852,31 3.982,32 4.93,33 5.15,34 3.784,35 4.034,36 5.915,37 3.937,38 4.841,39 5.089,40 3.554,41 3.942,42 5.717,43 3.793,44 4.752,45 5.05,46 3.528,47 3.804,48 5.563,49 3.656,50 4.571,51 4.845,52 3.558,53 3.624,54 5.497,55 3.548,56 0.069,57 0.694,58 10.157,59 4.142,60 12.022,61 5.396,62 0.367,63 1.028,64 19.019,65 6.999,66 31.639,67 8.974,68 0.385,69 1.226,70 20.529,71 7.737,72 23.186,73 10.456,74 0.295,75 1.374,76 24.274,77 9.541,78 32.078,79 12.964,80 0.66,81 1.453,82 32.328,83 9.756,84 61.266,85 13.538,86 0.482,87 1.303,88 29.825,89 10.056,90 47.272,91 14.298,92 0.315,93 1.16,94 28.283,95 9.515,96 39.662,97 14.385,98 0.309,99 0.982,100 23.347,101 7.054,102 33.461,103 10.582,104 35,105 39,106 0.272,107 0.591,108 0.697,109 0.762,110 0.786,111 0.816,112 3.304,113 0.875,114 -3.94,115 -3.9,116 -3.7,119 39.6,121 2,124 3,139 5,140 3,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 9,169 1,170 5,172 3,173 3,175 1,178 11,180 1,181 2,182 7,187 1,189 8,191 1,192 1,193 10,195 1,196 1,197 1,198 5,200 2,201 6,204 5,205 1,207 6,212 4,215 6,218 4,221 5,226 3,229 3,231 3,234 9,239 3,241 2,243 3,246 4,251 1,256 1,259 4,260 3,262 2,263 2,265 2,270 2,273 908,274 17.696,275 17.696,276 17.696,277 17.696,278 17.696,279 15.615,280 22.184,281 10.237,282 18.384,283 13.619,284 13.619,285 13.619,286 13.619,287 13.619,288 10.268,289 26.303,290 4.548,291 14.447,292 3.991,293 2.116,294 1.493,295 1.11,296 0.969,297 0.797,298 3.985,300 1,301 1,302 1,303 561,304 3.082,307 218.622,311 115.329,314 1.346,315 23.64,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 57,327 267,328 4.615,329 3.378,330 6.767,331 4.143,332 3.166,333 4.573,334 0.86,335 11.061,336 3.096,337 4.419,338 3.24,339 6.523,340 4.007,341 3.059,342 4.104,343 0.86,344 10.257,345 2.895,346 3.736,347 2.642,348 5.38,349 3.348,350 2.392,351 3.183,352 0.86,353 6.939,354 2.29,355 3.554,356 2.555,357 5.254,358 3.182,359 2.223,360 2.886,362 6.593,363 2.12,364 3.448,365 2.435,366 5.19,367 2.972,368 2.061,369 2.848,371 6.118,372 1.91,373 3.355,374 2.078,375 5.06,376 2.961,377 2.01,378 2.604,380 5.821,381 1.867,382 3.139,383 2,384 4.776,385 2.742,386 1.784,387 2.367,389 5.05,390 1.702,391 2.671,392 1.925,393 3.811,394 2.213,395 1.237,396 1.741,398 2.788,399 1.206,400 2.23,401 1.264,402 3.681,403 2.001,404 1.156,405 1.215,407 2.496,408 0.969,409 1.832,410 1.054,411 3.239,412 1.627,413 0.663,414 0.752,415 1.494,416 0.635,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.401,426 0.727,427 2.727,428 1.153,429 0.307,430 0.329,431 0.396,432 0.258,433 1.285,434 0.199,435 2.635,436 0.831,437 -0.106,438 -0.14,439 -0.274,440 -0.099,441 1.083,442 -0.015,443 2.486,444 0.716,445 -0.246,446 -0.307,448 -0.545,449 -0.233,450 0.85,451 -0.183,452 2.381,453 0.454,454 -0.467,455 -0.579,457 -1.075,458 -0.426,459 12.1,460 0.465,461 0.606,462 0.023,463 35.5,464 1.365,465 18.5,466 0.712,467 17,468 0.654,469 19.949,470 0.767,471 28.7,472 0.598,473 26.938,474 1.036,475 7.291,476 0.28,477 5.275,478 0.203,479 0.19,481 0.372,485 0.993,486 1.285,487 0.823,488 1.137,489 1.154,490 0.965,491 1.232,492 0.762,493 0.799,494 0.759,495 0.805,496 0.727,497 0.824,498 1.164,499 0.892,500 1.067,501 0.823,502 0.996,503 0.742,504 1.385,505 0.987,506 1.398,507 0.649,508 1.272,509 1.575,510 0.962,511 1.39,512 1.015,513 1.526,514 1.145,515 1.072,516 0.982,517 1.214,518 1.093,519 1.082,520 1.175,521 0.514,522 0.877,523 0.686,524 0.88,525 0.553,526 0.828,527 0.886,528 0.864,529 0.7,530 0.791,531 0.887,532 0.713,533 5.5,534 0.169,535 2.889,536 2.563,537 1.982,538 0.771,539 0.427,540 0.28,541 0.37,542 0.279,543 7376,544 21170,545 2.014,546 45.8,547 4,548 14,551 4,555 1.692,556 1.857,557 3.297,558 1.735,559 1,560 1,564 76.505,565 1.594,566 3.469,567 4.092,568 4.475,569 4.616,570 4.788,571 2.652,572 3.902,573 4.677,574 3.452,575 1121.74,576 8.106,577 14007.6,579 1,581 1,582 268.078,583 1.502,584 4.615,585 0.196,586 0.008,587 0.074,588 0.058,589 0.047,590 0.024,591 0.017,592 0.011,593 0.014,594 0.01,595 0.46,596 0.17,597 1,598 0.998,599 126.715,600 -0.099,601 -0.063,602 0.037,603 -0.044,604 -0.192,605 0.022,606 -0.053,607 0.302,608 0.156,609 0.28,610 0.115,611 0.248,612 0.115,613 -0.028,614 0.008,615 -0.007,616 0.004,617 -0.01,618 0.111,619 -0.312,620 -0.085,621 -0.336,622 0.18,623 -0.266,624 -0.357,625 0.027,626 -0.391,627 -0.06,628 -0.405,629 -0.205,630 -0.172,631 -0.055,632 -0.242,633 -0.095,634 -0.225,635 -0.171,636 0.108,637 -0.022,638 0.296,639 0.116,640 0.187,641 0.223,642 0.014,643 0.041,644 0.311,645 0.161,646 0.055,647 0.281,648 1.489,649 2.068,650 0.615,651 20.154,652 1.007,653 1.132,654 2.715,655 7.369,656 0.651,657 3.367,658 3.689,659 3.989,660 4.277,661 4.454,662 4.466,663 4.477,664 4.543,665 4.682,666 4.71,667 6.101,668 0.624,669 354.45,670 3.367,671 4.905,672 5.765,673 6.655,674 7.53,675 8.424,676 9.301,677 10.195,678 11.075,679 11.969,680 8.3,684 2,690 2,694 2,695 5,696 2,700 7,702 17,711 2,716 3,718 48,719 17,720 2,721 28,723 50,724 19,725 14,726 7,727 5,729 3,730 4,739 2,741 14,742 5,753 1,754 1,757 22,758 7,759 4,760 7,764 4,769 0.667,770 3,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 2,818 3,829 6.3,834 3,836 14,837 9.483,838 5.972,839 2.526,840 3.418,841 1.471,842 0.971,843 5.566,844 10.673,845 3.624,846 4.277,847 4.92,848 5.541,849 6.079,850 6.329,851 6.586,852 6.916,853 7.315,854 7.445,855 0.857,856 44,857 9.524,859 3.903,860 7.75,861 18.019,863 14.157,865 2.25,866 58.5,869 1,870 211.88,871 116.145,872 99.365,874 33,877 116.145,878 244.879,879 99.365,880 32.649,881 5.069,882 113.176,883 33.571,884 59.818,885 4.227,886 211.88,888 211.88,889 215.51,890 33,893 211.88,894 33,897 9.112,898 172.827,899 33.571,901 211.88,902 132.365,903 116.145,906 211.88,907 36.115,908 80.03,910 132.365,911 211.88,912 132.365,913 116.145,915 0.572,916 0.359,917 0.211,918 0.109,919 18,920 9,921 0.12,922 6,923 1,924 1.125,925 3.658,926 217.266,927 0.125,928 16,929 114.211,933 18.39,934 7.87,935 3.753,936 1.589,937 132.365,938 9.746,939 8.342,943 4.549,945 65.794,946 460.39,947 36.5,956 48.342,957 54.358,958 0.285,959 0.621,960 0.733,961 0.801,962 0.826,963 0.857,964 4.854,965 1.237,966 5.759,967 5.05,968 4.369,969 4.963,970 1.693,971 6.6,972 4.268,973 6.083,974 1.156,975 7.338,976 2.788,977 4.007,978 4.913,980 7.576,981 3.872,982 7.413,983 0.663,984 9.015,985 2.496,986 5.989,987 7.268,988 1.454,989 10.685,990 5.815,991 8.783,992 0.396,993 10.751,994 1.494,995 6.431,996 8.023,998 12.483,999 6.219,1000 10.183,1001 0.307,1002 12.525,1003 0.603,1004 7.892,1005 9.877,1006 1.232,1007 15.122,1008 7.657,1009 11.606,1010 -0.106,1011 14.326,1012 0.396,1013 8.715,1014 11.019,1016 17.268,1017 8.44,1018 13.046,1019 -0.246,1020 16.146,1021 -0.274,1022 9.973,1023 12.669,1024 1.028,1025 19.745,1026 9.678,1027 3.166,1028 -0.467,1029 17.982,1030 -0.545,1031 10.973,1032 14.002,1034 22.033,1035 10.641,1036 3.059,1037 11.061,1038 19.831,1039 -1.075,1040 12.154,1041 15.565,1042 0.845,1043 24.451,1044 11.799,1045 2.392,1046 10.257,1047 21.69,1048 4.573,1049 13.232,1050 16.988,1052 26.796,1053 12.844,1054 2.223,1055 6.939,1056 23.557,1057 4.104,1058 14.385,1059 18.516,1060 0.684,1061 29.193,1062 13.972,1063 2.061,1064 6.593,1065 25.43,1066 3.183,1067 15.498,1068 19.982,1070 31.562,1071 15.054,1072 2.01,1073 6.118,1074 27.309,1075 2.886,1076 16.641,1077 21.495,1078 0.546,1079 33.951,1080 16.172,1081 1.784,1082 5.821,1083 29.192,1084 2.848,1085 17.769,1086 22.983,1088 36.33,1089 17.271,1090 7315,1091 12496,1092 18.205,1093 31.239,1094 40.664,1095 42.154,1096 43.791,1097 40.779,1098 40.909,1099 54.106,1100 5.16,1101 119.233,1102 38.581,1103 5.45,1104 5.378,1105 6.311,1106 5.214,1107 5.166,1108 7.573,1109 1.72,1110 17.982,1111 5.096,1112 14.768,1113 1.452,1114 1.505,1115 1.564,1116 1.456,1117 1.461,1118 1.932,1119 0.184,1120 4.258,1121 1.378,1122 4.086,1123 4.118,1124 4.053,1125 4.004,1126 5.306,1127 4.011,1128 3.933,1129 3.945,1130 3.896,1131 3.841,1132 4.982,1133 3.851,1134 3.52,1135 3.584,1136 3.438,1137 3.33,1138 4.97,1139 3.349,1140 3.377,1141 3.434,1142 3.255,1143 3.208,1144 4.693,1145 3.214,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.218,1153 3.293,1154 3.041,1155 2.954,1156 4.464,1157 2.962,1158 3.152,1159 3.242,1160 2.973,1161 2.892,1162 4.238,1163 2.892,1164 3.054,1165 3.167,1166 2.846,1167 2.775,1168 4.153,1169 2.781,1170 0.165,1171 0.121,1172 0.242,1173 0.148,1174 0.113,1175 4.615,1176 0.163,1177 3.378,1178 0.031,1179 6.767,1180 0.395,1181 4.143,1182 0.111,1183 3.166,1184 4.573,1185 0.86,1186 11.061,1187 3.096,1188 2.035,1189 2.01,1190 2.112,1191 2.137,1192 1.33,1193 2.128,1194 1.887,1195 1.875,1196 1.972,1197 2.005,1198 1.123,1199 1.992,1200 1.458,1201 1.403,1202 1.668,1203 1.689,1204 0.829,1205 1.682,1206 1.34,1207 1.283,1208 1.59,1209 1.564,1210 0.584,1211 1.571,1212 1.227,1213 1.163,1214 1.569,1215 1.558,1216 0.572,1217 1.565,1218 1.174,1219 1.093,1220 1.533,1221 1.504,1222 0.552,1223 1.525,1224 1.128,1225 1.046,1226 1.477,1227 1.395,1228 0.426,1229 1.415,1230 0.984,1231 0.883,1232 1.272,1233 1.339,1234 0.255,1235 1.348,1236 4.043,1238 5.361,1240 6.895,1242 8.534,1244 10.228,1246 4.799,1250 11.758,1252 1.521,1254 16.196,1262 29.971,1263 76.505,1264 166.489,1265 196.429,1266 214.794,1267 221.549,1268 229.814,1269 40.805,1270 7.255,1271 105.51,1272 105.51,1273 18,1274 12.497,1275 4.17,1276 3.248,1277 44.334,1278 98,1279 82,1280 0.228,1281 186.591,1282 316.73,1283 447.043,1284 13370,1286 18.681,1287 0.719,1288 0.58,1289 18.681,1290 15.075,1291 12.566,1292 0.449,1293 0.292,1294 7.99,1295 11.91,1296 7.708,1297 6.467,1298 12.566,1299 8.165,1300 10.906,1301 0.28,1302 0.149,1303 10.906,1304 5.812,1305 9.324,1306 0.176,1307 0.08,1308 9.324,1309 4.262,1310 8.336,1311 0.117,1312 0.043,1313 8.336,1314 3.07,1315 6.424,1316 0.076,1317 0.025,1318 6.424,1319 2.087,1320 0.356,1321 80.138,1322 0.234,1323 24.872,1324 0.631,1325 134,1326 421.121,1327 149.019,1328 399.502,1329 549.17,1330 376,1331 159,1332 404.96,1333 174.185,1334 413.931,1335 602.25,1336 384,1337 5.432}
{0 CHEMBL441616,1 1.477,2 8.571,3 1.519,4 2.306,5 85.783,6 7.578,7 0.739,8 3.724,9 3.872,10 3.293,11 3.253,12 4.938,13 3.245,14 4.172,15 4.353,16 3.658,17 3.639,18 5.334,19 3.605,20 4.372,21 4.551,22 3.741,23 3.793,24 5.489,25 3.745,26 4.538,27 4.765,28 3.629,29 3.804,30 5.659,31 3.707,32 4.563,33 4.836,34 3.423,35 3.705,36 5.537,37 3.574,38 4.383,39 4.663,40 3.298,41 3.497,42 5.421,43 3.372,44 4.223,45 4.524,46 3.154,47 3.293,48 5.191,49 3.192,50 3.905,51 4.149,52 3.085,53 3.071,54 5.129,55 3.001,56 0.058,57 0.614,58 7.461,59 2.685,60 13.493,61 3.783,62 0.147,63 0.917,64 12.506,65 5.023,66 19.105,67 7.012,68 0.086,69 1.1,70 15.15,71 5.629,72 16.638,73 8.07,74 0.226,75 1.174,76 19.595,77 6.761,78 39.686,79 9.905,80 0.223,81 1.088,82 21.942,83 6.904,84 40.121,85 10.578,86 0.233,87 0.906,88 18.54,89 5.873,90 40.272,91 8.99,92 0.185,93 0.752,94 16.456,95 4.544,96 29.42,97 7.303,98 0.15,99 0.613,100 10.691,101 3.367,102 23.803,103 5.115,104 17,105 33,106 0.265,107 0.645,108 0.794,109 0.873,110 0.873,111 0.873,112 3.104,113 0.855,114 -3.08,115 -3.08,116 -2.96,119 40.5,120 1,121 1,139 3,140 4,141 1,142 2,143 1,144 1,147 1,157 3,158 3,159 3,166 7,169 1,170 5,172 3,173 3,175 3,178 8,180 3,182 4,187 4,189 6,191 4,193 4,195 2,196 2,197 1,198 6,200 2,201 8,204 6,205 1,207 3,212 2,215 5,218 2,221 5,223 2,224 2,225 1,226 3,228 2,229 2,231 3,232 1,234 2,239 2,243 2,245 2,246 4,248 1,249 1,250 1,251 4,253 2,256 4,258 1,265 1,270 1,273 521,274 13.93,275 13.93,276 13.93,277 13.93,278 13.93,279 11.717,280 15.525,281 8.015,282 14.187,283 11.306,284 11.306,285 11.306,286 11.306,287 11.306,288 8.105,289 20.51,290 3.774,291 11.729,292 3.733,293 1.615,294 0.784,295 0.345,296 0.345,297 0.345,298 3.78,300 1,301 1,302 1,303 386,304 2.236,307 162.514,311 85.652,314 1.211,315 17.983,317 1,318 0.75,319 0.83,320 0.83,321 0.5,323 0.83,324 1,325 0.68,326 45,327 180,328 4.639,329 3.318,330 6.828,331 4.188,332 3.2,333 4.593,334 0.68,335 11.195,336 3.161,337 4.239,338 3.037,339 6.107,340 3.824,341 2.862,342 3.889,344 8.896,345 2.758,346 3.799,347 2.601,348 5.718,349 3.396,350 2.422,351 3.275,353 7.529,354 2.357,355 3.447,356 2.237,357 5.06,358 3.005,359 2.073,360 2.86,362 5.804,363 1.957,364 3.43,365 2.098,366 4.953,367 2.976,368 2.004,369 2.747,371 5.724,372 1.913,373 2.969,374 1.742,375 4.444,376 2.529,377 1.561,378 2.168,380 4.114,381 1.511,382 2.815,383 1.485,384 4.12,385 2.333,386 1.387,387 1.945,389 3.583,390 1.307,391 2.562,392 1.217,393 3.601,394 2.097,395 1.137,396 1.588,398 2.556,399 1.088,400 1.786,401 0.757,402 3.196,403 1.486,404 0.525,405 0.638,407 1.277,408 0.503,409 1.348,410 0.251,411 2.649,412 0.975,413 0.028,414 0.036,415 0.067,416 0.027,417 1.061,418 0.037,419 2.536,420 0.722,421 -0.25,422 -0.304,423 -0.599,424 -0.242,425 0.941,426 -0.314,427 2.359,428 0.499,429 -0.47,430 -0.62,431 -1.185,432 -0.454,433 0.797,434 -0.367,435 2.338,436 0.392,437 -0.515,438 -0.651,439 -1.243,440 -0.467,441 0.47,442 -0.698,443 2.114,444 0.113,445 -0.853,446 -1.114,448 -2.303,449 -0.821,450 0.109,451 -1.078,452 1.743,453 -0.265,454 -1.222,455 -1.634,457 -3.261,458 -1.158,459 9.9,460 0.471,461 0.613,462 0.029,463 31.25,464 1.488,465 17.5,466 0.833,467 13.75,468 0.655,469 13.628,470 0.649,471 21.9,472 0.592,473 21.127,474 1.006,475 6.182,476 0.294,477 3.876,478 0.185,479 0.172,481 0.404,485 1.222,486 1.131,487 0.846,488 0.844,489 1.393,490 0.797,491 0.51,492 0.906,493 0.675,494 0.89,495 0.466,496 0.821,497 1.011,498 1.295,499 1.002,500 1.175,501 0.874,502 1.102,503 0.961,504 1.084,505 1.181,506 1.224,507 1.003,508 1.234,509 1.055,510 0.982,511 1.099,512 1.049,513 1.1,514 1.075,515 0.8,516 0.928,517 0.968,518 1.022,519 0.833,520 1.021,521 1.095,522 0.892,523 0.824,524 0.74,525 1.031,526 0.74,527 0.676,528 1.221,529 0.922,530 1.216,531 0.636,532 1.125,533 4.5,534 0.025,535 2.889,536 1.875,537 1.591,538 0.556,539 0.424,540 0.373,541 0.107,542 0.129,543 4107,544 11293,545 2.045,546 43.2,547 5,548 3,550 2,551 6,555 1.633,556 1.881,557 3.068,558 3.729,560 1,562 1,564 54.637,565 1.477,566 3.595,567 4.425,568 4.865,569 4.865,570 4.865,571 2.489,572 3.916,573 4.367,574 3.179,575 667.539,576 7.486,577 6901.9,578 1,579 1,581 1,582 192.75,583 1.51,584 4.305,585 0.196,586 0.006,587 0.088,588 0.054,589 0.055,590 0.024,591 0.021,592 0.021,593 0.007,594 0.016,595 0.487,596 0.5,597 1,598 0.665,599 93.614,600 -0.26,601 0.078,602 -0.01,603 0.159,604 -0.357,605 0.121,606 0.302,607 0.202,608 0.196,609 0.151,610 0.24,611 0.156,612 -0.159,613 -0.185,614 -0.138,615 -0.156,616 -0.106,617 -0.146,618 -0.041,619 -0.064,620 -0.253,621 -0.237,622 -0.021,623 -0.271,624 -0.149,625 -0.07,626 -0.107,627 -0.065,628 -0.153,629 -0.077,630 0.137,631 -0.029,632 0.041,633 -0.045,634 0.125,635 -0.022,636 -0.063,637 -0.022,638 0.226,639 0.21,640 -0.032,641 0.253,642 0.41,643 -0.23,644 0.058,645 -0.279,646 0.398,647 -0.184,648 1.497,649 2.301,650 0.762,651 13.973,652 1.001,653 1.137,654 1.851,655 3.427,656 0.671,657 3.178,658 3.526,659 3.807,660 4.06,661 4.277,662 4.263,663 4.317,664 4.454,665 4.5,666 4.454,667 5.026,668 0.642,669 280.37,670 3.178,671 4.727,672 5.587,673 6.475,674 7.351,675 8.241,676 9.122,677 10.013,678 10.897,679 11.79,680 16.2,684 3,690 3,694 2,695 5,696 3,700 6,702 17,711 3,718 37,719 17,720 1,721 23,723 39,724 15,725 13,726 4,727 2,729 3,730 4,734 1,739 1,741 13,742 2,753 1,754 1,757 16,758 6,759 6,760 6,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,810 21,811 3,816 1,836 11.167,837 6.767,838 4.556,839 1.951,840 3.422,841 1.5,842 1.033,843 3.355,844 10.262,845 3.481,846 4.174,847 4.808,848 5.419,849 5.999,850 6.235,851 6.597,852 7.044,853 7.456,854 7.604,855 0.833,856 35,857 7.675,859 3.24,860 7.778,861 14.488,863 11.771,865 2.278,866 47.833,870 117.711,871 79.141,872 149.048,877 79.141,878 117.711,879 149.048,880 8.825,881 2.535,882 127.12,883 73.899,884 35.125,885 4.227,886 94.169,888 117.711,889 228.189,893 117.711,897 33.498,898 144.335,899 50.357,901 117.711,902 149.048,903 79.141,906 117.711,907 23.792,908 55.349,910 149.048,911 117.711,912 149.048,913 79.141,915 0.593,916 0.354,917 0.19,918 0.101,919 17,920 8,921 0.051,922 2,923 1,924 1.125,925 3.252,926 164.556,927 0.125,928 16,929 92.239,933 13.587,934 5.186,935 2.479,936 1.864,937 149.048,938 9.283,939 12.284,943 4.137,945 98.692,946 345.9,947 31.5,956 37.029,957 42.066,958 0.283,959 0.69,960 0.849,961 0.934,962 0.934,963 0.934,964 4.712,965 1.137,966 5.595,967 3.583,968 4.205,969 4.86,970 0.655,971 6.431,972 4.139,973 5.962,974 0.525,975 7.177,976 2.556,977 3.892,978 4.808,980 7.391,981 3.807,982 7.296,983 0.028,984 8.859,985 1.277,986 5.826,987 7.181,988 0.356,989 10.505,990 5.714,991 8.668,992 -0.25,993 10.598,994 0.067,995 6.293,996 7.924,998 12.285,999 6.172,1000 10.069,1001 -0.47,1002 12.374,1003 -0.599,1004 7.738,1005 9.797,1006 0.18,1007 14.939,1008 7.593,1009 11.491,1010 -0.515,1011 14.176,1012 -1.185,1013 8.569,1014 10.93,1016 17.073,1017 8.418,1018 12.932,1019 -0.853,1020 15.998,1021 -1.243,1022 9.822,1023 12.593,1024 0.087,1025 19.565,1026 9.653,1027 3.2,1028 -1.222,1029 17.836,1030 -2.303,1031 10.823,1032 13.922,1034 21.854,1035 10.647,1036 2.862,1037 11.195,1038 19.686,1039 -3.261,1040 12.004,1041 15.495,1042 0.041,1043 24.29,1044 11.813,1045 2.422,1046 8.896,1047 21.547,1048 4.593,1049 13.083,1050 16.921,1052 26.647,1053 12.883,1054 2.073,1055 7.529,1056 23.415,1057 3.889,1058 14.237,1059 18.457,1060 0.019,1061 29.064,1062 14.026,1063 2.004,1064 5.804,1065 25.292,1066 3.275,1067 15.352,1068 19.93,1070 31.451,1071 15.132,1072 1.561,1073 5.724,1074 27.174,1075 2.86,1076 16.5,1077 21.452,1078 0.009,1079 33.863,1080 16.269,1081 1.387,1082 4.114,1083 29.061,1084 2.747,1085 17.633,1086 22.948,1088 36.264,1089 17.392,1090 4032,1091 6777,1092 15.027,1093 24.841,1094 34.72,1095 34.668,1096 36.402,1097 34.4,1098 34.401,1099 47.473,1100 1.36,1101 101.488,1102 33.163,1103 5.407,1104 5.318,1105 6.373,1106 5.257,1107 5.2,1108 7.593,1109 1.36,1110 18.46,1111 5.161,1112 10.962,1113 1.51,1114 1.507,1115 1.583,1116 1.496,1117 1.496,1118 2.064,1119 0.059,1120 4.413,1121 1.442,1122 4.099,1123 4.127,1124 4.064,1125 4.034,1126 5.293,1127 4.038,1128 3.861,1129 3.916,1130 3.825,1131 3.708,1132 5.137,1133 3.729,1134 3.523,1135 3.576,1136 3.436,1137 3.412,1138 4.978,1139 3.412,1140 3.213,1141 3.296,1142 3.089,1143 3.031,1144 4.823,1145 3.038,1146 3.124,1147 3.232,1148 2.999,1149 2.882,1150 4.456,1151 2.897,1152 2.967,1153 3.096,1154 2.806,1155 2.719,1156 4.261,1157 2.71,1158 2.964,1159 3.073,1160 2.735,1161 2.639,1162 4.002,1163 2.665,1164 2.751,1165 2.859,1166 2.59,1167 2.535,1168 3.747,1169 2.544,1170 0.202,1171 0.144,1172 0.297,1173 0.182,1174 0.139,1175 4.639,1176 0.2,1177 3.318,1178 0.03,1179 6.828,1180 0.487,1181 4.188,1182 0.137,1183 3.2,1184 4.593,1185 0.68,1186 11.195,1187 3.161,1188 2.061,1189 2.039,1190 2.132,1191 2.145,1192 1.306,1193 2.143,1194 1.789,1195 1.745,1196 1.887,1197 1.973,1198 1.024,1199 1.947,1200 1.51,1201 1.463,1202 1.688,1203 1.665,1204 0.728,1205 1.678,1206 1.186,1207 1.111,1208 1.459,1209 1.431,1210 0.457,1211 1.447,1212 1.058,1213 0.972,1214 1.333,1215 1.384,1216 0.34,1217 1.373,1218 0.946,1219 0.843,1220 1.267,1221 1.279,1222 0.127,1223 1.287,1224 0.875,1225 0.754,1226 1.217,1227 1.235,1229 1.255,1230 0.718,1231 0.627,1232 1.061,1233 1.031,1235 1.053,1236 3.85,1238 5.187,1240 6.732,1242 8.375,1244 10.067,1246 2.019,1250 17.689,1252 0.558,1262 23.762,1263 54.637,1264 133.001,1265 163.73,1266 179.995,1267 179.995,1268 179.995,1269 28.618,1270 6.839,1271 116.73,1272 116.73,1273 18,1274 12.318,1275 4.17,1276 3.248,1277 32.15,1278 63,1279 64,1280 0.256,1281 149.822,1282 243.16,1283 357.326,1284 7653,1286 14.983,1287 0.713,1288 0.556,1289 14.983,1290 11.668,1291 10.059,1292 0.437,1293 0.285,1294 6.479,1295 9.749,1296 6.278,1297 5.245,1298 10.059,1299 6.555,1300 9.333,1301 0.283,1302 0.151,1303 9.333,1304 4.976,1305 7.909,1306 0.18,1307 0.081,1308 7.909,1309 3.544,1310 6.641,1311 0.117,1312 0.042,1313 6.641,1314 2.416,1315 5.194,1316 0.073,1317 0.023,1318 5.194,1319 1.609,1320 0.39,1321 62.534,1322 0.258,1323 20.498,1324 0.733,1325 112,1326 294.872,1327 120.798,1328 300.682,1329 420.1,1330 280,1331 133,1332 322.282,1333 141.326,1334 332.623,1335 482.82,1336 312,1337 4.824}
{0 CHEMBL441668,1 1.603,2 9.375,3 2.373,4 5.633,5 93.474,6 7.183,7 0.462,8 3.937,9 4.06,10 3.463,11 3.377,12 5.069,13 3.38,14 4.47,15 4.648,16 3.81,17 3.764,18 5.522,19 3.746,20 4.617,21 4.79,22 3.923,23 3.925,24 5.654,25 3.886,26 4.756,27 4.946,28 3.941,29 3.992,30 5.801,31 3.928,32 4.91,33 5.137,34 3.707,35 3.983,36 5.867,37 3.881,38 4.819,39 5.074,40 3.56,41 3.887,42 5.662,43 3.742,44 4.743,45 5.037,46 3.529,47 3.695,48 5.564,49 3.581,50 4.516,51 4.768,52 3.513,53 3.522,54 5.527,55 3.441,56 0.071,57 0.668,58 10.289,59 3.961,60 11.831,61 5.392,62 0.374,63 1.008,64 19.537,65 6.927,66 31.703,67 9.21,68 0.407,69 1.207,70 21.948,71 7.678,72 26.447,73 10.947,74 0.348,75 1.326,76 25.494,77 9.074,78 35.327,79 12.93,80 0.7,81 1.357,82 32.313,83 9.038,84 63.051,85 13.233,86 0.417,87 1.208,88 29.318,89 9.704,90 42.518,91 14.269,92 0.426,93 1.045,94 28.355,95 8.004,96 41.179,97 12.532,98 0.572,99 0.848,100 22.269,101 6.505,102 42.893,103 9.77,104 35,105 37,106 0.279,107 0.589,108 0.725,109 0.766,110 0.776,111 0.808,112 3.229,113 0.897,114 -3.24,115 -3.23,116 -3.1,119 37,121 3,122 1,124 3,139 2,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 7,169 1,170 5,172 3,173 3,175 1,178 9,180 1,181 2,182 7,187 1,189 5,191 1,192 1,193 9,195 1,196 1,197 1,198 5,200 2,201 5,204 5,205 1,207 5,212 3,215 2,218 3,221 9,226 3,231 3,234 4,239 1,243 1,245 4,246 1,248 2,249 2,251 2,256 2,259 2,262 1,263 1,273 730,274 16.282,275 16.282,276 16.282,277 16.282,278 16.282,279 14.753,280 23.636,281 9.306,282 16.97,283 12.636,284 12.636,285 12.636,286 12.636,287 12.636,288 10.087,289 28.229,290 4.124,291 13.464,292 3.921,293 2.136,294 1.349,295 1.115,296 1.055,297 0.875,298 3.906,300 1,301 1,302 1,303 473,304 2.915,306 50.899,307 138.534,310 95.778,314 1.292,315 23.799,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 53,327 225,328 4.499,329 3.432,330 6.785,331 4.178,332 3.2,333 4.147,334 0.86,335 11.135,336 3.133,337 4.412,338 3.359,339 6.522,340 3.999,341 3.052,342 4.096,343 0.86,344 10.256,345 2.886,346 3.677,347 2.646,348 5.471,349 3.368,350 2.414,351 2.977,352 0.86,353 7.244,354 2.302,355 3.482,356 2.555,357 5.19,358 3.096,359 2.147,360 2.801,362 6.259,363 2.026,364 3.355,365 2.358,366 5.143,367 2.972,368 2.061,369 2.604,371 6.118,372 1.867,373 3.299,374 2.204,375 5.063,376 2.921,377 1.979,378 2.549,380 5.786,381 1.862,382 2.789,383 1.972,384 4.691,385 2.567,386 1.6,387 1.825,389 4.735,390 1.543,391 2.19,392 1.733,393 3.778,394 1.969,395 1.139,396 1.177,398 2.386,399 0.94,400 1.932,401 1.027,402 3.588,403 1.805,404 0.828,405 0.89,407 2.075,408 0.807,409 1.576,410 0.988,411 2.95,412 1.27,413 0.396,414 0.452,415 0.603,416 0.342,417 1.433,418 0.916,419 2.859,420 1.201,421 0.348,422 0.369,423 0.485,424 0.293,425 1.227,426 0.365,427 2.672,428 0.974,429 0.03,430 0.034,431 0.068,432 0.028,433 0.984,434 -0.004,435 2.489,436 0.619,437 -0.308,438 -0.376,439 -0.723,440 -0.284,441 0.787,442 -0.207,443 2.324,444 0.43,445 -0.486,446 -0.584,448 -1.138,449 -0.441,450 0.65,451 -0.333,452 2.294,453 0.24,454 -0.689,455 -0.753,457 -1.56,458 -0.624,459 11.1,460 0.463,461 0.606,462 0.025,463 30.5,464 1.271,465 14.5,466 0.604,467 16,468 0.667,469 20.093,470 0.837,471 27.3,472 0.593,473 22.154,474 0.923,475 6.045,476 0.252,477 5.521,478 0.23,479 0.207,481 0.405,485 0.991,486 1.369,487 0.843,488 1.21,489 1.125,490 1.015,491 1.181,492 0.801,493 0.806,494 0.803,495 0.756,496 0.762,497 0.8,498 1.224,499 0.933,500 1.142,501 0.815,502 1.067,503 0.771,504 1.331,505 0.993,506 1.353,507 0.754,508 1.239,509 1.587,510 0.906,511 1.418,512 0.989,513 1.621,514 1.141,515 0.927,516 1.093,517 1.057,518 1.159,519 0.861,520 1.152,521 0.894,522 0.847,523 0.755,524 0.814,525 0.868,526 0.763,527 0.821,528 0.885,529 0.775,530 0.889,531 0.592,532 0.853,533 5.5,534 0.107,535 2.667,536 2.597,537 1.649,538 0.914,539 0.344,540 0.477,541 0.344,542 0.176,543 5695,544 15953,545 2.015,546 47.8,547 5,548 11,551 4,552 2,555 1.672,556 1.846,557 3.187,558 1.819,559 1,560 1,564 73.735,565 1.603,566 3.387,567 4.175,568 4.409,569 4.469,570 4.648,571 2.622,572 4.168,573 4.56,574 3.315,575 914.854,576 7.881,577 10537.3,579 1,581 1,582 254.084,583 1.528,584 4.493,585 0.212,586 0.012,587 0.072,588 0.065,589 0.042,590 0.032,591 0.014,592 0.019,593 0.014,594 0.01,595 0.492,596 0.17,597 1,598 1.038,599 112.695,600 -0.1,601 -0.086,602 0.043,603 -0.056,604 -0.147,605 0.021,606 -0.047,607 0.288,608 0.157,609 0.268,610 0.145,611 0.242,612 0.107,613 -0.071,614 -0.014,615 -0.055,616 0.003,617 -0.05,618 0.083,619 -0.23,620 -0.074,621 -0.278,622 0.107,623 -0.218,624 -0.379,625 0.096,626 -0.418,627 -0.037,628 -0.46,629 -0.203,630 -0.077,631 -0.179,632 -0.101,633 -0.139,634 -0.077,635 -0.132,636 0.001,637 -0.001,638 0.248,639 0.12,640 0.017,641 0.221,642 0.307,643 0.003,644 0.241,645 0.068,646 0.368,647 0.118,648 1.431,649 2.074,650 0.625,651 17.951,652 1.007,653 1.138,654 2.01,655 4.04,656 0.636,657 3.296,658 3.638,659 3.951,660 4.263,661 4.407,662 4.489,663 4.554,664 4.673,665 4.736,666 4.754,667 5.533,668 0.608,669 330.43,670 3.296,671 4.844,672 5.714,673 6.616,674 7.501,675 8.407,676 9.296,677 10.203,678 11.094,679 12.001,680 8.7,684 2,690 2,695 2,696 2,700 8,702 12,711 2,716 3,718 46,719 12,720 1,721 26,723 48,724 17,725 10,726 4,727 2,729 3,730 4,736 2,737 1,739 3,741 10,742 7,743 1,753 1,754 1,757 22,758 7,759 4,760 7,764 4,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,806 3,810 24,811 2,816 3,818 3,820 1,829 6.5,834 3,836 13,837 9.067,838 5.472,839 2.492,840 2.307,841 1.324,842 0.958,843 4.896,844 9.428,845 3.497,846 4.111,847 4.696,848 5.259,849 5.712,850 5.901,851 6.046,852 6.323,853 6.604,854 6.93,855 1,856 40,857 8.82,859 3.661,860 7.736,861 16.806,863 13.547,865 2.236,866 53.667,869 1,870 211.88,871 88.29,872 99.365,874 33,877 88.29,878 244.879,879 99.365,880 32.649,881 7.604,882 84.747,883 33.571,884 57.858,885 4.227,886 211.88,888 211.88,889 187.656,890 33,893 211.88,894 33,897 12.259,898 141.825,899 33.571,901 211.88,902 132.365,903 88.29,906 211.88,907 36.689,908 51.602,910 132.365,911 211.88,912 132.365,913 88.29,915 0.577,916 0.363,917 0.214,918 0.107,919 18,920 9,921 0.104,922 5,923 1,924 1.133,925 3.46,926 198.276,927 0.133,928 15,929 102.039,933 16.957,934 6.93,935 3.207,937 132.365,938 3.932,939 8.426,943 5.644,945 65.794,946 432.535,947 32,956 46.342,957 52.358,958 0.29,959 0.613,960 0.756,961 0.798,962 0.809,963 0.842,964 4.754,965 1.139,966 5.72,967 4.735,968 4.317,969 4.796,970 1.693,971 6.581,972 4.21,973 5.97,974 0.828,975 7.311,976 2.386,977 4.007,978 4.745,980 7.576,981 3.872,982 7.298,983 0.396,984 8.999,985 2.075,986 5.958,987 7.013,988 1.454,989 10.691,990 5.779,991 8.662,992 0.348,993 10.742,994 0.603,995 6.447,996 7.731,998 12.501,999 6.239,1000 10.056,1001 0.03,1002 12.522,1003 0.485,1004 7.889,1005 9.521,1006 1.232,1007 15.144,1008 7.652,1009 11.471,1010 -0.308,1011 14.327,1012 0.068,1013 8.744,1014 10.592,1016 17.299,1017 8.478,1018 12.902,1019 -0.486,1020 16.151,1021 -0.723,1022 9.995,1023 12.188,1024 1.028,1025 19.779,1026 9.706,1027 3.2,1028 -0.689,1029 17.991,1030 -1.138,1031 11.016,1032 13.431,1034 22.075,1035 10.698,1036 3.052,1037 11.135,1038 19.843,1039 -1.56,1040 12.198,1041 14.938,1042 0.845,1043 24.497,1044 11.856,1045 2.414,1046 10.256,1047 21.705,1048 4.147,1049 13.29,1050 16.267,1052 26.848,1053 12.922,1054 2.147,1055 7.244,1056 23.574,1057 4.096,1058 14.447,1059 17.731,1060 0.684,1061 29.25,1062 14.056,1063 2.061,1064 6.259,1065 25.451,1066 2.977,1067 15.571,1068 19.102,1070 31.625,1071 15.154,1072 1.979,1073 6.118,1074 27.332,1075 2.801,1076 16.72,1077 20.544,1078 0.546,1079 34.021,1080 16.281,1081 1.6,1082 5.786,1083 29.218,1084 2.604,1085 17.858,1086 21.937,1088 36.406,1089 17.394,1090 5686,1091 9602,1092 16.819,1093 29.239,1094 38.214,1095 39.722,1096 41.464,1097 38.299,1098 38.387,1099 47.842,1100 5.16,1101 114.299,1102 36.057,1103 5.402,1104 5.432,1105 6.328,1106 5.249,1107 5.2,1108 7.147,1109 1.72,1110 18.055,1111 5.133,1112 13.864,1113 1.47,1114 1.528,1115 1.595,1116 1.473,1117 1.476,1118 1.84,1119 0.198,1120 4.396,1121 1.387,1122 4.043,1123 4.079,1124 3.992,1125 3.947,1126 5.284,1127 3.952,1128 3.895,1129 3.912,1130 3.861,1131 3.784,1132 4.98,1133 3.798,1134 3.475,1135 3.548,1136 3.373,1137 3.257,1138 4.969,1139 3.281,1140 3.303,1141 3.355,1142 3.144,1143 3.06,1144 4.58,1145 3.066,1146 3.278,1147 3.342,1148 3.124,1149 3.006,1150 4.481,1151 3.026,1152 3.203,1153 3.282,1154 2.98,1155 2.9,1156 4.456,1157 2.9,1158 3.094,1159 3.211,1160 2.948,1161 2.826,1162 4.207,1163 2.832,1164 2.952,1165 3.055,1166 2.712,1167 2.701,1168 3.92,1169 2.701,1170 0.173,1171 0.132,1172 0.261,1173 0.161,1174 0.123,1175 4.499,1176 0.159,1177 3.432,1178 0.033,1179 6.785,1180 0.428,1181 4.178,1182 0.121,1183 3.2,1184 4.147,1185 0.86,1186 11.135,1187 3.133,1188 1.92,1189 1.905,1190 2.021,1191 2.032,1192 1.331,1193 2.025,1194 1.764,1195 1.727,1196 1.831,1197 1.949,1198 1.079,1199 1.916,1200 1.583,1201 1.53,1202 1.805,1203 1.753,1204 0.978,1205 1.775,1206 1.234,1207 1.17,1208 1.59,1209 1.558,1210 0.597,1211 1.565,1212 1.227,1213 1.163,1214 1.574,1215 1.52,1216 0.584,1217 1.538,1218 1.164,1219 1.077,1220 1.552,1221 1.482,1222 0.568,1223 1.508,1224 1.067,1225 0.976,1226 1.364,1227 1.378,1228 0.45,1229 1.375,1230 0.93,1231 0.816,1232 1.251,1233 1.296,1234 0.115,1235 1.308,1236 3.97,1238 5.303,1239 2.398,1240 6.841,1241 4.727,1242 8.478,1243 6.843,1244 10.168,1246 4.816,1250 11.762,1252 2.622,1254 16.212,1256 0.253,1262 27.971,1263 73.735,1264 155.819,1265 192.045,1266 202.8,1267 205.555,1268 213.819,1269 38.726,1270 7.121,1271 105.51,1272 105.51,1273 17,1274 12.521,1275 3.7,1276 2.807,1277 39.176,1278 81,1279 74,1280 0.246,1281 173.262,1282 298.31,1283 414.518,1284 10583,1286 17.267,1287 0.719,1288 0.589,1289 17.267,1290 14.127,1291 11.566,1292 0.445,1293 0.299,1294 7.602,1295 10.91,1296 7.337,1297 6.126,1298 11.566,1299 7.776,1300 10.211,1301 0.276,1302 0.157,1303 10.211,1304 5.801,1305 8.773,1306 0.172,1307 0.087,1308 8.773,1309 4.416,1310 7.995,1311 0.114,1312 0.048,1313 7.995,1314 3.387,1315 5.886,1316 0.073,1317 0.027,1318 5.886,1319 2.201,1320 0.378,1321 74.138,1322 0.244,1323 23.015,1324 0.699,1325 126,1326 391.121,1327 141.019,1328 367.509,1329 503.98,1330 346,1331 151,1332 370.96,1333 166.185,1334 377.728,1335 550.51,1336 350,1337 4.161}
{0 CHEMBL444587,1 1.751,2 12.618,3 5.222,4 27.268,5 139.141,6 8.516,7 0.5,8 4.171,9 4.297,10 3.835,11 3.694,12 5.367,13 3.68,14 4.662,15 4.836,16 4.201,17 4.049,18 5.859,19 4.011,20 4.884,21 5.078,22 4.287,23 4.177,24 6.022,25 4.125,26 4.904,27 5.106,28 4.233,29 4.168,30 6.049,31 4.105,32 4.997,33 5.226,34 4.215,35 4.186,36 6.097,37 4.122,38 5.048,39 5.292,40 4.273,41 4.235,42 6.122,43 4.143,44 5.03,45 5.264,46 4.346,47 4.214,48 6.162,49 4.117,50 4.897,51 5.105,52 4.277,53 4.159,54 6.044,55 4.066,56 0.15,57 0.887,58 10.119,59 4.837,60 17.017,61 6.139,62 0.447,63 1.305,64 20.959,65 8.27,66 41.256,67 10.781,68 0.65,69 1.523,70 31.893,71 9.379,72 63.11,73 12.251,74 0.559,75 1.611,76 31.47,77 9.613,78 62.425,79 13.128,80 0.706,81 1.74,82 32.031,83 9.522,84 71.27,85 13.52,86 0.684,87 1.716,88 38.76,89 11.663,90 74.289,91 16.387,92 0.835,93 1.53,94 43.928,95 12.259,96 92.048,97 16.582,98 0.75,99 1.339,100 41.592,101 11.459,102 67.978,103 14.562,104 57,105 49,106 0.284,107 0.65,108 0.805,109 0.865,110 0.872,111 0.872,112 3.56,113 0.94,114 -5.58,115 -5.45,116 -5.09,119 39,120 2,121 1,125 3,139 7,140 3,141 3,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 9,169 3,170 7,172 3,173 3,175 1,178 12,180 1,181 1,182 10,187 1,189 10,191 1,192 1,193 16,195 1,196 1,197 1,198 5,200 2,201 5,204 5,205 1,206 2,207 14,212 4,215 4,218 4,220 3,221 9,223 1,224 1,226 2,229 2,231 2,233 3,234 10,236 1,237 1,239 2,241 7,243 2,245 2,246 8,248 2,249 2,254 13,260 7,262 1,263 1,265 1,268 13,270 1,273 2220,274 22.455,275 22.455,276 22.455,277 22.455,278 22.455,279 19.799,280 27.742,281 13.293,282 23.103,283 17.692,284 17.692,285 17.692,286 17.692,287 17.692,288 13.677,289 32.151,290 6.264,291 18.835,292 4.132,293 1.875,294 0.914,295 0.547,296 0.5,297 0.5,298 4.239,299 2,303 890,304 4.183,307 383.051,314 1.78,315 37.684,318 0.5,319 0.5,320 0.67,321 0.7,322 0.5,323 0.83,324 1,325 0.67,326 74.167,327 429,328 4.535,329 3.627,330 6.77,331 4.146,332 3.171,333 4.257,334 2.443,335 11.076,336 3.094,337 4.185,338 3.278,339 6.048,340 3.739,341 2.803,342 3.815,343 0.657,344 8.678,345 2.631,346 4.031,347 3.113,348 5.594,349 3.649,350 2.689,351 3.62,352 0.286,353 7.726,354 2.554,355 3.653,356 3.011,357 5.304,358 3.324,359 2.397,360 3.014,362 6.627,363 2.216,364 3.587,365 2.819,366 5.161,367 3.186,368 2.257,369 2.802,371 6.433,372 2.1,373 3.527,374 2.385,375 5.038,376 3.156,377 2.202,378 2.706,380 5.702,381 2.051,382 3.303,383 2.31,384 4.813,385 2.933,386 1.985,387 2.55,389 5.478,390 1.876,391 3.289,392 2.226,393 4.756,394 2.878,395 1.954,396 2.492,398 5.138,399 1.717,400 3.102,401 1.975,402 4.645,403 2.679,404 1.731,405 2.31,407 4.931,408 1.629,409 2.905,410 1.844,411 4.232,412 2.456,413 1.532,414 2.018,415 3.954,416 1.363,417 2.5,418 1.723,419 3.414,420 2.041,421 1.083,422 1.5,423 2.318,424 1.025,425 2.391,426 1,427 3.341,428 2,429 1,430 1.256,431 2.275,432 1,433 2.027,434 0.849,435 3.327,436 1.588,437 0.639,438 0.85,439 1.481,440 0.588,441 1.748,442 0.755,443 3.146,444 1.536,445 0.56,446 0.643,448 1.11,449 0.542,450 1.398,451 0.71,452 2.753,453 1.066,454 0.165,455 0.193,457 0.343,458 0.134,459 16.395,460 0.482,461 0.911,462 0.027,463 44,464 1.294,465 22.5,466 0.662,467 21.5,468 0.632,469 31.3,470 0.921,471 37.005,472 0.627,473 36.74,474 1.081,475 8.801,476 0.259,477 7.46,478 0.219,479 0.217,481 0.329,485 0.748,486 1.215,487 0.604,488 0.94,489 0.79,490 0.89,491 0.704,492 1.038,493 0.624,494 0.858,495 0.488,496 0.847,497 1.262,498 1.127,499 0.997,500 0.888,501 1.097,502 0.917,503 0.922,504 1.339,505 0.982,506 1.147,507 0.858,508 1.122,509 0.989,510 1.181,511 0.749,512 0.893,513 0.977,514 0.986,515 0.791,516 1.019,517 0.82,518 0.937,519 0.732,520 0.964,521 0.925,522 0.877,523 0.991,524 0.962,525 0.842,526 0.931,527 1.138,528 0.767,529 1.329,530 1.05,531 0.932,532 0.98,533 8,534 0.355,535 3.556,536 2.563,537 1.92,538 1.132,539 0.892,540 0.62,541 0.534,542 0.349,543 15810,544 53387,545 1.977,546 42.4,547 3,548 13,551 4,552 5,555 1.765,556 1.821,557 3.598,558 1.604,564 103.286,565 1.751,566 4.008,567 4.969,568 5.336,569 5.382,570 5.382,571 2.992,572 4.735,573 5.06,574 3.795,575 2128.73,576 8.898,577 33627.3,582 347.076,583 1.508,584 4.999,585 0.222,586 0.009,587 0.073,588 0.05,589 0.039,590 0.024,591 0.019,592 0.013,593 0.012,594 0.008,595 0.468,597 0.75,598 1.308,599 183.073,600 -0.021,601 0.036,602 0.008,603 0.009,604 -0.12,605 0.018,606 0.163,607 0.077,608 0.116,609 0.1,610 0.202,611 0.096,612 -0.207,613 -0.055,614 -0.08,615 0.061,616 -0.174,617 0.01,618 -0.062,619 -0.242,620 -0.132,621 -0.215,622 -0.043,623 -0.19,624 -0.114,625 -0.091,626 -0.056,627 -0.027,628 -0.143,629 -0.078,630 0.025,631 -0.008,632 0.042,633 0.002,634 0.004,635 0.011,636 0.093,637 0.06,638 0.094,639 0.045,640 0.079,641 0.075,642 -0.014,643 0.177,644 -0.063,645 0.014,646 -0.015,647 0.033,648 2.033,649 4.163,650 0.529,651 37.294,652 1.014,653 1.135,654 4.352,655 18.94,656 0.683,657 3.611,658 3.912,659 4.111,660 4.344,661 4.554,662 4.595,663 4.654,664 4.718,665 4.771,666 4.796,667 7.685,668 0.653,669 502.45,670 3.611,671 5.142,672 5.964,673 6.828,674 7.671,675 8.541,676 9.394,677 10.268,678 11.128,679 12.005,680 11.9,684 2,687 1,690 2,692 2,695 7,696 2,700 9,702 18,711 2,717 2,718 59,719 20,720 2,721 36,723 61,724 23,725 16,726 5,727 7,729 3,730 3,731 2,734 2,739 1,741 17,742 6,744 2,748 1,750 2,751 1,757 25,758 9,759 4,760 11,761 2,764 7,769 1,770 2,776 1,781 3,793 1,802 3,806 2,807 2,810 34,811 2,816 4,818 1,821 1,828 2,829 3.4,832 1,834 1,836 18.667,837 11.119,838 7.611,839 3.435,840 3.713,841 1.495,842 0.958,843 9.19,844 11.207,845 3.871,846 4.449,847 4.961,848 5.511,849 6.051,850 6.264,851 6.58,852 6.935,853 7.275,854 7.561,855 1,856 51,857 12.47,859 5.125,860 7.894,861 23.291,863 18.153,865 2.394,866 81.389,870 247.193,871 128.812,872 135.571,873 78.297,874 36.145,877 128.812,878 361.635,879 135.571,880 17.65,881 14.34,882 132.128,883 65.907,884 33.071,885 37.431,886 247.193,887 78.297,888 247.193,889 264.383,890 36.145,891 78.297,893 247.193,894 36.145,897 36.646,898 160.962,899 145.072,901 247.193,902 171.716,903 207.11,906 247.193,907 44.828,908 86.986,910 247.011,911 247.193,912 171.716,913 207.11,915 0.576,916 0.321,917 0.169,918 0.096,919 20,920 11,921 0.164,922 10,924 1,925 4.368,926 301.944,928 18,929 168.974,933 25.849,934 12.088,935 7.366,937 171.716,938 12.663,939 8.381,943 4.995,945 65.794,946 626.018,947 47,951 11.163,953 8.703,954 -0.367,956 59.851,957 66.947,958 0.298,959 0.681,960 0.845,961 0.907,962 0.915,963 0.915,964 5.097,965 1.954,966 5.948,967 5.478,968 4.595,969 5.136,970 2.477,971 6.72,972 4.479,973 6.304,974 1.731,975 7.487,976 5.138,977 4.205,978 4.945,979 2.243,980 7.567,981 3.997,982 7.602,983 1.532,984 9.122,985 4.931,986 6.155,987 7.292,988 3.849,989 10.635,990 5.95,991 8.931,992 1.083,993 10.813,994 3.954,995 6.524,996 7.861,997 4.269,998 12.33,999 6.248,1000 10.289,1001 1,1002 12.543,1003 2.318,1004 7.975,1005 9.723,1006 5.487,1007 14.947,1008 7.701,1009 11.666,1010 0.639,1011 14.301,1012 2.275,1013 8.715,1014 10.674,1015 6.158,1016 17.038,1017 8.393,1018 13.061,1019 0.56,1020 16.082,1021 1.481,1022 9.963,1023 12.32,1024 7.208,1025 19.503,1026 9.635,1027 3.171,1028 0.165,1029 17.882,1030 1.11,1031 10.895,1032 13.483,1033 7.992,1034 21.771,1035 10.535,1036 2.803,1037 11.076,1038 19.699,1039 0.343,1040 12.06,1041 15.019,1042 8.963,1043 24.186,1044 11.689,1045 2.689,1046 8.678,1047 21.53,1048 4.257,1049 13.091,1050 16.301,1051 9.802,1052 26.531,1053 12.697,1054 2.397,1055 7.726,1056 23.373,1057 3.815,1058 14.227,1059 17.782,1060 10.734,1061 28.933,1062 13.819,1063 2.257,1064 6.627,1065 25.227,1066 3.62,1067 15.309,1068 19.13,1069 11.599,1070 31.31,1071 14.88,1072 2.202,1073 6.433,1074 27.089,1075 3.014,1076 16.438,1077 20.584,1078 12.512,1079 33.709,1080 15.994,1081 1.985,1082 5.702,1083 28.959,1084 2.802,1085 17.546,1086 21.97,1087 13.391,1088 36.1,1089 17.084,1090 15674,1091 28969,1092 23.175,1093 40.279,1094 53.236,1095 54.349,1096 55.021,1097 52.787,1098 52.51,1099 68.253,1100 6.772,1101 146.909,1102 49.186,1103 5.443,1104 5.627,1105 6.326,1106 5.216,1107 5.171,1108 7.257,1109 4.174,1110 17.964,1111 5.094,1112 21.247,1113 1.479,1114 1.51,1115 1.528,1116 1.466,1117 1.459,1118 1.896,1119 0.188,1120 4.081,1121 1.366,1122 4.02,1123 4.055,1124 4.061,1125 3.94,1126 7.434,1127 3.944,1128 3.919,1129 3.95,1130 3.991,1131 3.862,1132 5.287,1133 3.854,1134 3.767,1135 3.814,1136 3.824,1137 3.629,1138 5.043,1139 3.643,1140 3.655,1141 3.695,1142 3.604,1143 3.415,1144 4.976,1145 3.439,1146 3.459,1147 3.511,1148 3.445,1149 3.217,1150 4.935,1151 3.237,1152 3.392,1153 3.485,1154 3.296,1155 3.193,1156 4.718,1157 3.184,1158 3.147,1159 3.235,1160 3.238,1161 2.981,1162 4.465,1163 2.96,1164 3.106,1165 3.201,1166 3.204,1167 2.901,1168 4.43,1169 2.92,1170 0.126,1171 0.101,1172 0.188,1173 0.115,1174 0.088,1175 4.535,1176 0.118,1177 3.627,1178 0.068,1179 6.77,1180 0.308,1181 4.146,1182 0.086,1183 3.171,1184 4.257,1185 2.443,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.026,1191 2.065,1192 1.192,1193 2.054,1194 1.906,1195 1.881,1196 2.008,1197 2,1198 1.182,1199 2.007,1200 1.707,1201 1.664,1202 1.851,1203 1.872,1204 1.013,1205 1.864,1206 1.563,1207 1.514,1208 1.789,1209 1.813,1210 1.002,1211 1.805,1212 1.385,1213 1.321,1214 1.66,1215 1.647,1216 0.694,1217 1.655,1218 1.375,1219 1.295,1220 1.614,1221 1.631,1222 0.614,1223 1.64,1224 1.122,1225 1.056,1226 1.394,1227 1.381,1228 0.595,1229 1.382,1230 1.014,1231 0.942,1232 1.267,1233 1.355,1234 0.218,1235 1.353,1236 4.29,1238 5.595,1240 7.081,1242 8.658,1244 10.287,1246 3.312,1247 12.37,1250 11.885,1252 1.547,1254 5.063,1257 1.674,1262 38.502,1263 103.286,1264 236.47,1265 293.16,1266 314.811,1267 317.566,1268 317.566,1269 76.949,1270 7.494,1271 132.08,1272 132.08,1273 18,1274 12.547,1275 4.392,1276 3.585,1277 67.063,1278 157,1279 154,1280 0.204,1281 249.231,1282 432.64,1283 599.884,1284 18470,1285 3.4,1286 24.665,1287 0.725,1288 0.598,1289 25.665,1290 20.345,1291 16.261,1292 0.452,1293 0.313,1294 10.435,1295 15.009,1296 10.079,1297 8.376,1298 16.839,1299 11.282,1300 14.74,1301 0.301,1302 0.167,1303 15.519,1304 8.196,1305 11.294,1306 0.188,1307 0.09,1308 11.963,1309 5.383,1310 9.199,1311 0.121,1312 0.046,1313 9.601,1314 3.505,1315 7.356,1316 0.078,1317 0.026,1318 7.835,1319 2.419,1320 0.323,1321 108.318,1322 0.208,1323 31.523,1324 0.554,1325 170,1326 554.728,1327 218.868,1328 597.639,1329 788.43,1330 554,1331 194,1332 535.247,1333 232.186,1334 557.488,1335 803.34,1336 523,1337 5.745}
{0 CHEMBL445359,1 1.712,2 9.391,3 3.736,4 13.958,5 94.211,6 9.439,7 0.68,8 3.74,9 3.867,10 3.496,11 3.3,12 4.958,13 3.294,14 4.206,15 4.374,16 3.911,17 3.677,18 5.425,19 3.654,20 4.415,21 4.587,22 4.069,23 3.825,24 5.629,25 3.779,26 4.479,27 4.671,28 4.115,29 3.849,30 5.675,31 3.756,32 4.499,33 4.702,34 3.639,35 3.76,36 5.619,37 3.622,38 4.384,39 4.655,40 3.603,41 3.562,42 5.407,43 3.436,44 4.134,45 4.371,46 3.548,47 3.443,48 5.175,49 3.337,50 3.967,51 4.164,52 3.467,53 3.315,54 5.156,55 3.23,56 0.099,57 0.596,58 4.944,59 2.614,60 12.11,61 3.12,62 0.244,63 0.892,64 10.803,65 4.625,66 20.133,67 5.785,68 0.4,69 1.02,70 16.552,71 5.649,72 30.221,73 6.857,74 0.377,75 1,76 23.521,77 7.103,78 37.692,79 8.807,80 0.495,81 0.951,82 30.313,83 7.352,84 52.629,85 8.767,86 0.428,87 0.85,88 20.842,89 6.559,90 40.607,91 8.981,92 0.243,93 0.663,94 17.544,95 5.452,96 23.935,97 7.175,98 0.256,99 0.594,100 12.188,101 3.676,102 27.023,103 4.347,104 26,105 36,106 0.307,107 0.666,108 0.778,109 0.844,110 0.844,111 0.844,112 3.189,113 0.906,114 -4.35,115 -4.29,116 -4.04,119 40.5,124 1,125 1,139 5,141 3,143 3,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 2,172 3,173 3,178 3,181 3,182 7,184 1,185 1,189 2,193 3,195 1,196 1,197 1,198 2,200 2,201 3,204 2,205 1,207 1,209 1,210 1,212 2,218 2,220 2,221 4,223 1,224 1,229 4,234 1,241 5,248 1,249 1,254 1,260 8,265 4,270 4,273 654,274 15.085,275 15.085,276 15.085,277 15.085,278 15.085,279 12.916,280 16.419,281 8.673,282 15.636,283 12.306,284 12.306,285 12.306,286 12.306,287 12.306,288 9.105,289 20.444,290 4.093,291 13.337,292 3.498,293 1.502,294 0.875,295 0.507,296 0.507,297 0.507,298 3.864,299 2,300 1,301 1,302 1,303 459,304 2.828,307 190.587,311 98.34,314 1.418,315 22.478,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49.667,327 216,328 4.543,329 3.469,330 6.68,331 4.05,332 3.113,333 4.491,334 0.916,335 10.604,336 2.939,337 4.401,338 3.128,339 6.501,340 3.984,341 3.054,342 4.034,343 0.172,344 10.17,345 2.779,346 3.781,347 2.741,348 5.399,349 3.377,350 2.434,351 3.239,353 7.089,354 2.287,355 3.433,356 2.623,357 5.063,358 2.999,359 2.082,360 2.811,362 5.856,363 1.901,364 3.401,365 2.286,366 5.001,367 2.934,368 1.993,369 2.72,371 5.791,372 1.872,373 3.232,374 2.122,375 4.841,376 2.729,377 1.879,378 2.481,380 5.104,381 1.671,382 3.102,383 1.988,384 4.735,385 2.707,386 1.791,387 2.277,389 4.886,390 1.441,391 2.523,392 1.315,393 3.731,394 2.12,395 1.166,396 1.529,398 2.704,399 1.085,400 2.445,401 1.058,402 3.703,403 1.951,404 1.006,405 1.423,407 2.565,408 0.947,409 1.521,410 0.727,411 2.954,412 1.139,413 0.219,414 0.269,415 0.559,416 0.193,417 1.109,418 0.325,419 2.683,420 0.684,421 -0.13,422 -0.152,423 -0.329,424 -0.088,425 1,426 0.173,427 2.523,428 0.495,429 -0.347,430 -0.445,431 -0.757,432 -0.229,433 0.972,434 -0.202,435 2.352,436 0.473,437 -0.418,438 -0.522,439 -1.091,440 -0.378,441 0.714,442 -0.308,443 2.333,444 0.387,445 -0.523,446 -0.617,448 -1.311,449 -0.47,450 0.51,451 -0.719,452 2.076,453 0.132,454 -0.815,455 -1.09,457 -2.213,458 -0.77,459 11.329,460 0.493,461 0.72,462 0.031,463 33.25,464 1.446,465 17.5,466 0.761,467 15.75,468 0.685,469 16.789,470 0.73,471 24.071,472 0.651,473 23.038,474 1.002,475 6.576,476 0.286,477 4.377,478 0.19,479 0.241,481 0.388,485 0.906,486 1.342,487 0.543,488 0.783,489 1.067,490 0.752,491 0.742,492 1.011,493 0.558,494 0.694,495 0.485,496 0.697,497 0.959,498 1.029,499 0.92,500 0.955,501 0.912,502 0.956,503 0.915,504 1.16,505 0.898,506 1.036,507 0.722,508 1.05,509 1.563,510 1.051,511 1.789,512 1.494,513 1.608,514 1.472,515 0.586,516 0.689,517 0.612,518 0.778,519 0.72,520 0.875,521 0.868,522 0.969,523 0.842,524 0.849,525 0.715,526 0.825,527 1.408,528 0.962,529 1.188,530 0.938,531 1.607,532 1.04,533 5.5,534 0.119,535 2.889,536 2.5,537 1.591,538 0.667,539 0.426,540 0.295,541 0.357,542 0.106,543 5389,544 18911,545 2.016,546 37.8,548 10,551 4,555 1.657,556 1.84,557 3.179,558 1.908,560 1,562 1,564 63.334,565 1.712,566 3.707,567 4.335,568 4.703,569 4.703,570 4.703,571 2.666,572 4.176,573 4.5,574 3.332,575 842.926,576 7.742,577 9476.39,578 1,579 1,580 1,581 1,582 192.75,583 1.538,584 4.428,585 0.22,586 0.013,587 0.08,588 0.066,589 0.047,590 0.028,591 0.019,592 0.013,593 0.019,594 0.006,595 0.511,596 0.17,597 1,598 0.675,599 106.979,600 -0.181,601 -0.141,602 -0.011,603 0.038,604 -0.29,605 0.05,606 0.076,607 0.113,608 0.11,609 0.175,610 0.2,611 0.168,612 0.021,613 0.064,614 -0.056,615 -0.055,616 -0.063,617 -0.088,618 0.038,619 -0.184,620 0.101,621 -0.048,622 0.185,623 -0.08,624 -0.438,625 -0.115,626 -0.575,627 -0.472,628 -0.491,629 -0.495,630 0.222,631 0.21,632 0.196,633 0.201,634 0.105,635 0.182,636 -0.004,637 -0.085,638 0.143,639 0.187,640 0.108,641 0.244,642 -0.338,643 0.071,644 -0.191,645 -0.001,646 -0.467,647 -0.134,648 1.537,649 2.117,650 0.696,651 16.578,652 1.018,653 1.134,654 3.123,655 9.752,656 0.718,657 3.258,658 3.611,659 3.871,660 4.143,661 4.29,662 4.304,663 4.344,664 4.431,665 4.575,666 4.489,667 5.57,668 0.687,669 349.25,670 3.258,671 4.812,672 5.666,673 6.558,674 7.424,675 8.317,676 9.186,677 10.079,678 10.951,679 11.842,680 16.2,684 2,686 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,714 1,717 2,718 37,719 17,720 1,721 25,723 39,724 15,725 13,726 3,727 3,729 3,730 4,731 2,741 13,742 2,754 1,757 14,758 6,759 4,760 8,761 2,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,807 2,810 23,811 2,816 1,821 1,828 2,836 12.5,837 6.919,838 4.972,839 1.93,840 3.346,841 1.48,842 1.01,843 4.436,844 10.315,845 3.541,846 4.22,847 4.83,848 5.437,849 5.986,850 6.22,851 6.529,852 6.891,853 7.307,854 7.34,855 1,856 38,857 8.397,859 3.542,860 7.85,861 15.681,863 12.57,865 2.35,866 54.056,870 117.711,871 78.913,872 119.275,873 78.297,877 78.913,878 196.008,879 119.275,880 8.396,881 2.106,882 113.176,883 50.357,884 19.927,885 4.227,886 117.711,887 78.297,888 117.711,889 198.189,891 78.297,893 117.711,897 11.05,898 136.782,899 128.654,901 117.711,902 119.275,903 157.211,906 117.711,907 23.136,908 58.902,910 194.448,911 117.711,912 119.275,913 157.211,915 0.594,916 0.351,917 0.195,918 0.095,919 18,920 9,921 0.077,922 3,923 1,924 1.125,925 3.421,926 184.543,927 0.125,928 16,929 98.042,933 16.054,934 6.355,935 3.268,936 1.132,937 119.275,938 9.061,939 12.553,943 3.084,945 65.794,946 394.197,947 33.5,956 37.676,957 41.954,958 0.329,959 0.712,960 0.832,961 0.903,962 0.903,963 0.903,964 4.781,965 1.166,966 5.68,967 4.886,968 4.29,969 4.905,970 0.918,971 6.515,972 4.13,973 6.027,974 1.006,975 7.261,976 2.704,977 4.007,978 4.856,979 0.325,980 7.459,981 3.714,982 7.357,983 0.219,984 8.938,985 2.565,986 5.911,987 7.199,988 0.671,989 10.565,990 5.617,991 8.721,992 -0.13,993 10.671,994 0.559,995 6.382,996 7.921,997 0.393,998 12.319,999 5.96,1000 10.114,1001 -0.347,1002 12.44,1003 -0.329,1004 7.813,1005 9.784,1006 0.533,1007 14.955,1008 7.384,1009 11.528,1010 -0.418,1011 14.235,1012 -0.757,1013 8.641,1014 10.887,1015 0.384,1016 17.056,1017 8.097,1018 12.959,1019 -0.523,1020 16.05,1021 -1.091,1022 9.886,1023 12.542,1024 0.438,1025 19.516,1026 9.315,1027 3.113,1028 -0.815,1029 17.88,1030 -1.311,1031 10.879,1032 13.839,1033 0.351,1034 21.763,1035 10.209,1036 3.054,1037 10.604,1038 19.722,1039 -2.213,1040 12.05,1041 15.398,1042 0.366,1043 24.154,1044 11.336,1045 2.434,1046 10.17,1047 21.574,1048 4.491,1049 13.118,1050 16.792,1051 0.312,1052 26.459,1053 12.317,1054 2.082,1055 7.089,1056 23.434,1057 4.034,1058 14.261,1059 18.309,1060 0.309,1061 28.823,1062 13.405,1063 1.993,1064 5.856,1065 25.3,1066 3.239,1067 15.361,1068 19.75,1069 0.273,1070 31.153,1071 14.428,1072 1.879,1073 5.791,1074 27.171,1075 2.811,1076 16.493,1077 21.25,1078 0.262,1079 33.507,1080 15.5,1081 1.791,1082 5.104,1083 29.046,1084 2.72,1085 17.608,1086 22.715,1087 0.236,1088 35.847,1089 16.543,1090 5289,1091 10021,1092 16.126,1093 26.557,1094 37.965,1095 38.459,1096 39.612,1097 37.819,1098 37.475,1099 50.55,1100 2.178,1101 110.658,1102 34.233,1103 5.377,1104 5.469,1105 6.225,1106 5.122,1107 5.113,1108 7.491,1109 1.605,1110 17.499,1111 4.939,1112 13.164,1113 1.519,1114 1.538,1115 1.584,1116 1.513,1117 1.499,1118 2.022,1119 0.087,1120 4.426,1121 1.369,1122 4.057,1123 4.1,1124 4.112,1125 3.933,1126 5.323,1127 3.95,1128 3.911,1129 3.936,1130 4.01,1131 3.846,1132 5.015,1133 3.844,1134 3.546,1135 3.614,1136 3.582,1137 3.36,1138 4.987,1139 3.379,1140 3.312,1141 3.4,1142 3.48,1143 3.098,1144 4.772,1145 3.107,1146 3.115,1147 3.229,1148 3.181,1149 2.849,1150 4.632,1151 2.858,1152 2.916,1153 3.018,1154 3.06,1155 2.824,1156 4.252,1157 2.815,1158 2.901,1159 2.918,1160 3.006,1161 2.71,1162 4.115,1163 2.707,1164 2.76,1165 2.809,1166 2.723,1167 2.649,1168 4.039,1169 2.615,1170 0.182,1171 0.139,1172 0.267,1173 0.162,1174 0.125,1175 4.543,1176 0.18,1177 3.469,1178 0.037,1179 6.68,1180 0.424,1181 4.05,1182 0.118,1183 3.113,1184 4.491,1185 0.916,1186 10.604,1187 2.939,1188 1.973,1189 1.938,1190 2.034,1191 2.123,1192 1.165,1193 2.098,1194 1.875,1195 1.855,1196 1.933,1197 1.965,1198 1.047,1199 1.969,1200 1.488,1201 1.424,1202 1.689,1203 1.706,1204 0.803,1205 1.706,1206 1.271,1207 1.188,1208 1.516,1209 1.527,1210 0.544,1211 1.535,1212 1.008,1213 0.912,1214 1.292,1215 1.383,1216 0.312,1217 1.364,1218 0.92,1219 0.827,1220 1.268,1221 1.189,1222 0.105,1223 1.231,1224 0.849,1225 0.819,1226 1,1227 0.962,1228 0.062,1229 1.004,1230 0.743,1231 0.699,1232 0.924,1233 0.926,1235 0.941,1236 3.932,1238 5.273,1240 6.812,1242 8.448,1244 10.132,1246 1.891,1247 12.456,1250 11.452,1252 0.503,1257 1.924,1262 25.417,1263 63.334,1264 137.166,1265 160.385,1266 173.995,1267 173.995,1268 173.995,1269 34.488,1270 6.97,1271 93.95,1272 93.95,1273 18,1274 12.374,1275 4.17,1276 3.248,1277 36.884,1278 78,1279 70,1280 0.237,1281 166.488,1282 273.58,1283 397.99,1284 9228,1285 5.4,1286 16.56,1287 0.72,1288 0.6,1289 17.56,1290 13.805,1291 10.952,1292 0.438,1293 0.302,1294 6.755,1295 10.008,1296 6.504,1297 5.394,1298 11.53,1299 7.548,1300 10.333,1301 0.287,1302 0.163,1303 11.074,1304 5.878,1305 8.362,1306 0.178,1307 0.085,1308 9.036,1309 3.973,1310 7.497,1311 0.121,1312 0.049,1313 8.407,1314 3.045,1315 5.27,1316 0.073,1317 0.023,1318 5.562,1319 1.625,1320 0.368,1321 74.527,1322 0.249,1323 22.367,1324 0.662,1325 122,1326 367.612,1327 163.557,1328 425.637,1329 566.1,1330 394,1331 144,1332 380.331,1333 179.172,1334 407.927,1335 597.34,1336 382,1337 7.319}
{0 CHEMBL449706,1 1.671,2 13,3 3.582,4 12.828,5 124.631,6 7.795,7 0.529,8 4.125,9 4.249,10 3.71,11 3.604,12 5.371,13 3.608,14 4.613,15 4.786,16 4.061,17 3.976,18 5.921,19 3.962,20 4.797,21 4.97,22 4.186,23 4.158,24 5.985,25 4.133,26 4.993,27 5.179,28 4.234,29 4.229,30 6.232,31 4.19,32 5.073,33 5.284,34 4.149,35 4.255,36 6.254,37 4.19,38 5.12,39 5.377,40 4.012,41 4.171,42 6.22,43 4.071,44 4.911,45 5.154,46 4.036,47 3.97,48 6.219,49 3.918,50 4.74,51 4.934,52 3.884,53 3.824,54 6.065,55 3.81,56 0.197,57 0.851,58 10.717,59 4.507,60 16.004,61 5.918,62 0.549,63 1.272,64 20.292,65 7.643,66 69.14,67 10.168,68 0.313,69 1.553,70 23.3,71 9.044,72 33.795,73 12.308,74 0.643,75 1.731,76 30.59,77 10.655,78 76.162,79 14.456,80 0.639,81 1.832,82 33.994,83 10.904,84 81.551,85 15.376,86 0.83,87 1.72,88 40.103,89 12.351,90 127.006,91 17.877,92 0.892,93 1.404,94 32.06,95 9.564,96 104.198,97 14.033,98 0.601,99 1.193,100 25.462,101 7.507,102 85.736,103 9.899,104 75,105 48,106 0.273,107 0.632,108 0.788,109 0.845,110 0.853,111 0.853,112 3.502,113 0.868,114 -4.76,115 -4.68,116 -4.39,119 39.3,120 1,121 1,124 2,125 1,139 7,140 4,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 11,169 3,170 8,172 3,173 3,175 1,178 11,180 1,181 1,182 15,187 1,189 7,191 1,192 2,193 18,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,207 12,212 4,215 7,218 4,220 2,221 5,223 1,224 1,226 2,229 8,231 2,233 8,234 10,236 3,237 3,239 1,241 8,243 1,246 8,248 1,249 1,254 6,260 6,262 3,263 3,265 1,268 4,270 1,273 1814,274 21.102,275 21.102,276 21.102,277 21.102,278 21.102,279 18.516,280 26.363,281 12.105,282 21.587,283 16.583,284 16.583,285 16.583,286 16.583,287 16.583,288 12.525,289 33.562,290 5.504,291 17.227,292 4.137,293 1.931,294 0.976,295 0.625,296 0.576,297 0.576,298 4.177,301 1,302 1,303 865,304 4.062,307 356.258,314 2.063,315 42.921,318 1,319 0.83,320 1,321 0.8,323 0.83,324 0.5,325 0.71,326 71,327 416,328 4.569,329 3.815,330 6.788,331 4.178,332 3.203,333 4.305,334 2.612,335 11.139,336 3.126,337 4.375,338 3.649,339 6.588,340 3.973,341 3.015,342 4.041,343 1.674,344 10.369,345 2.889,346 4.185,347 3.236,348 6.022,349 3.807,350 2.813,351 3.767,352 0.916,353 8.548,354 2.787,355 3.787,356 3.098,357 5.585,358 3.447,359 2.476,360 3.181,361 0.172,362 7.361,363 2.405,364 3.705,365 2.639,366 5.322,367 3.233,368 2.29,369 3.1,371 6.708,372 2.157,373 3.563,374 2.398,375 5.196,376 3.089,377 2.127,378 2.898,380 6.099,381 2.037,382 3.303,383 2.228,384 5.038,385 2.935,386 1.987,387 2.551,389 5.703,390 1.879,391 3.182,392 2.048,393 4.773,394 2.749,395 1.799,396 2.407,398 5.008,399 1.701,400 2.874,401 1.89,402 4.186,403 2.425,404 1.46,405 1.932,407 3.648,408 1.391,409 2.629,410 1.581,411 4.014,412 2.144,413 1.185,414 1.609,415 3.082,416 1.13,417 2.5,418 1.461,419 3.603,420 2,421 1,422 1.5,423 2.423,424 1,425 2.473,426 1.207,427 3.414,428 2,429 1,430 1.461,431 2.275,432 1,433 1.714,434 1,435 3.324,436 1.524,437 0.542,438 0.613,439 1.034,440 0.531,441 1.481,442 1,443 2.823,444 1.171,445 0.258,446 0.293,448 0.378,449 0.231,450 1.331,451 0.658,452 2.725,453 1.01,454 0.058,455 0.07,457 0.122,458 0.055,459 14.733,460 0.46,461 0.928,462 0.029,463 44.75,464 1.398,465 24,466 0.75,467 20.75,468 0.648,469 25.153,470 0.786,471 35.067,472 0.626,473 39.385,474 1.231,475 9.042,476 0.283,477 6.202,478 0.194,479 0.224,481 0.394,485 0.651,486 1.282,487 0.758,488 1.06,489 0.662,490 0.944,491 0.632,492 0.88,493 0.701,494 0.819,495 0.402,496 0.781,497 0.723,498 1.255,499 0.85,500 1.147,501 0.593,502 1.034,503 0.978,504 1.21,505 1.023,506 1.156,507 0.977,508 1.115,509 1.043,510 1.171,511 1.204,512 1.184,513 0.975,514 1.205,515 0.946,516 0.926,517 0.994,518 0.979,519 1.173,520 0.999,521 0.698,522 0.824,523 0.775,524 0.879,525 0.794,526 0.856,527 1.562,528 1.138,529 1.156,530 1.097,531 1.753,532 1.052,533 7.5,534 0.186,535 4.222,536 3.063,537 2.28,538 1.472,539 1.012,540 0.682,541 0.455,542 0.312,543 13180,544 42766,545 1.958,546 42.9,547 3,548 15,551 4,552 2,555 1.745,556 1.778,557 3.606,558 1.632,560 1,564 93.556,565 1.671,566 3.876,567 4.831,568 5.182,569 5.231,570 5.231,571 3.102,572 4.453,573 4.967,574 3.8,575 1884.56,576 8.694,577 27497.8,579 1,582 325.212,583 1.561,584 4.895,585 0.221,586 0.007,587 0.088,588 0.057,589 0.042,590 0.031,591 0.025,592 0.016,593 0.013,594 0.011,595 0.509,597 0.88,598 1.133,599 168.455,600 0.056,601 -0.03,602 0.031,603 0.02,604 -0.084,605 0.02,606 0.202,607 0.238,608 0.183,609 0.227,610 0.241,611 0.204,612 -0.043,613 -0.112,615 -0.091,616 0.013,617 -0.039,618 -0.058,619 -0.149,620 -0.104,621 -0.139,622 -0.05,623 -0.14,624 -0.199,625 -0.112,626 -0.274,627 -0.201,628 -0.136,629 -0.236,630 -0.055,631 -0.019,632 0.02,633 0.002,634 -0.144,635 0.02,636 0.295,637 0.114,638 0.248,639 0.077,640 0.222,641 0.132,642 -0.266,643 -0.162,644 -0.148,645 -0.137,646 -0.207,647 -0.12,648 2.435,649 4.853,650 0.563,651 34.648,652 1.016,653 1.135,654 3.534,655 12.49,656 0.655,657 3.555,658 3.892,659 4.159,660 4.407,661 4.605,662 4.673,663 4.796,664 4.852,665 4.905,666 4.934,667 7.421,668 0.638,669 436.52,670 3.555,671 5.106,672 5.958,673 6.845,674 7.716,675 8.606,676 9.483,677 10.375,678 11.257,679 12.15,680 10.7,684 2,686 1,690 2,691 1,695 7,696 2,700 9,702 18,710 1,711 2,713 1,714 1,718 56,719 21,720 2,721 34,723 58,724 22,725 16,726 5,727 7,728 1,729 3,730 3,734 1,739 1,741 17,742 5,744 3,746 1,748 3,751 1,754 1,757 24,758 9,759 4,760 10,764 6,769 1,770 4,776 1,781 3,802 3,806 3,810 32,811 2,816 2,818 1,821 1,829 7.1,832 1,834 1,835 2,836 18,837 10.967,838 7.194,839 3.146,840 3.343,841 1.444,842 0.959,843 7.156,844 10.87,845 3.85,846 4.472,847 5.035,848 5.598,849 6.137,850 6.409,851 6.786,852 7.069,853 7.441,854 7.733,855 0.889,856 54,857 11.793,859 4.976,860 8.068,861 21.687,863 17.08,865 2.568,866 82.167,869 1,870 235.422,871 131.509,872 108.16,874 86.892,877 131.509,878 322.314,879 108.16,880 33.775,881 4.64,882 132.128,883 65.907,884 35.137,885 4.227,886 235.422,887 50.747,888 235.422,889 239.669,890 86.892,893 235.422,894 36.145,895 50.747,897 18.121,898 182.307,899 39.241,901 235.422,902 195.052,903 131.509,906 235.422,907 37.071,908 103.233,910 186.257,911 235.422,912 195.052,913 131.509,915 0.584,916 0.352,917 0.188,918 0.101,919 21,920 12,921 0.138,922 8,924 1,925 4.097,926 287.242,928 18,929 154,933 23.29,934 9.833,935 5.109,937 189.381,938 11.767,939 8.219,943 3.618,945 65.794,946 561.983,947 46,949 -0.435,951 35.3,954 -0.423,956 56.872,957 63.564,958 0.288,959 0.667,960 0.832,961 0.892,962 0.901,963 0.901,964 5.091,965 1.799,966 5.969,967 5.703,968 4.575,969 5.159,970 2.961,971 6.806,972 4.506,973 6.324,974 1.46,975 7.554,976 5.008,977 4.29,978 5.103,979 2.396,980 7.786,981 4.189,982 7.65,983 1.185,984 9.237,985 3.648,986 6.201,987 7.386,988 4.387,989 10.876,990 6.074,991 9.011,992 1,993 10.976,994 3.082,995 6.686,996 8.087,997 4.512,998 12.662,999 6.531,1000 10.399,1001 1,1002 12.75,1003 2.423,1004 8.107,1005 9.888,1006 6.058,1007 15.292,1008 7.931,1009 11.806,1010 0.542,1011 14.549,1012 2.275,1013 8.94,1014 10.941,1015 6.557,1016 17.422,1017 8.736,1018 13.23,1019 0.258,1020 16.367,1021 1.034,1022 10.176,1023 12.545,1024 7.844,1025 19.892,1026 9.951,1027 3.203,1028 0.058,1029 18.199,1030 0.378,1031 11.171,1032 13.777,1033 8.548,1034 22.17,1035 10.918,1036 3.015,1037 11.139,1038 20.044,1039 0.122,1040 12.337,1041 15.291,1042 9.691,1043 24.584,1044 12.061,1045 2.813,1046 10.369,1047 21.897,1048 4.305,1049 13.407,1050 16.616,1051 10.509,1052 26.926,1053 13.103,1054 2.476,1055 8.548,1056 23.759,1057 4.041,1058 14.549,1059 18.088,1060 11.572,1061 29.322,1062 14.221,1063 2.29,1064 7.361,1065 25.627,1066 3.767,1067 15.654,1068 19.465,1069 12.452,1070 31.691,1071 15.299,1072 2.127,1073 6.708,1074 27.501,1075 3.181,1076 16.79,1077 20.917,1078 13.471,1079 34.083,1080 16.411,1081 1.987,1082 6.099,1083 29.38,1084 3.1,1085 17.913,1086 22.322,1087 14.386,1088 36.465,1089 17.507,1090 13127,1091 23800,1092 21.501,1093 36.705,1094 50.794,1095 53.333,1096 54.295,1097 50.427,1098 50.425,1099 67.458,1100 10.751,1101 147.791,1102 48.644,1103 5.409,1104 5.815,1105 6.332,1106 5.248,1107 5.203,1108 7.305,1109 4.612,1110 18.156,1111 5.126,1112 21.402,1113 1.494,1114 1.569,1115 1.597,1116 1.483,1117 1.483,1118 1.984,1119 0.316,1120 4.347,1121 1.431,1122 4.069,1123 4.1,1124 4.037,1125 3.963,1126 7.815,1127 3.973,1128 3.931,1129 3.956,1130 3.88,1131 3.861,1132 7.433,1133 3.861,1134 3.829,1135 3.874,1136 3.802,1137 3.644,1138 6.999,1139 3.67,1140 3.516,1141 3.558,1142 3.463,1143 3.263,1144 5.285,1145 3.283,1146 3.437,1147 3.49,1148 3.369,1149 3.191,1150 4.98,1151 3.19,1152 3.39,1153 3.458,1154 3.204,1155 3.049,1156 4.742,1157 3.124,1158 3.316,1159 3.379,1160 3.179,1161 3.023,1162 4.655,1163 3.068,1164 3.073,1165 3.193,1166 2.933,1167 2.821,1168 4.468,1169 2.825,1170 0.134,1171 0.112,1172 0.2,1173 0.123,1174 0.094,1175 4.569,1176 0.127,1177 3.815,1178 0.077,1179 6.788,1180 0.328,1181 4.178,1182 0.092,1183 3.203,1184 4.305,1185 2.612,1186 11.139,1187 3.126,1188 1.99,1189 1.964,1190 2.07,1191 2.128,1192 1.235,1193 2.101,1194 1.916,1195 1.894,1196 2.014,1197 2.012,1198 1.162,1199 2.013,1200 1.736,1201 1.691,1202 1.878,1203 1.953,1204 1.03,1205 1.914,1206 1.416,1207 1.356,1208 1.68,1209 1.708,1210 0.795,1211 1.673,1212 1.372,1213 1.296,1214 1.605,1215 1.639,1216 0.593,1217 1.653,1218 1.242,1219 1.176,1220 1.583,1221 1.603,1222 0.574,1223 1.571,1224 1.186,1225 1.152,1226 1.352,1227 1.539,1228 0.501,1229 1.516,1230 1.019,1231 0.94,1232 1.285,1233 1.36,1234 0.218,1235 1.345,1236 4.234,1238 5.565,1240 7.093,1242 8.712,1244 10.381,1246 4.974,1250 11.743,1252 0.943,1254 4.699,1257 1.763,1262 35.729,1263 93.556,1264 217.048,1265 270.541,1266 290.192,1267 292.947,1268 292.947,1269 81.658,1270 7.527,1271 153.18,1272 153.18,1273 18,1274 12.679,1275 4.459,1276 3.7,1277 61.265,1278 141,1279 164,1280 0.212,1281 224.171,1282 391.5,1283 538.738,1284 18404,1286 23.413,1287 0.732,1288 0.564,1289 23.413,1290 18.032,1291 15.244,1292 0.448,1293 0.289,1294 9.656,1295 14.472,1296 9.346,1297 7.845,1298 15.244,1299 9.838,1300 13.824,1301 0.288,1302 0.149,1303 13.824,1304 7.147,1305 11.377,1306 0.181,1307 0.08,1308 11.377,1309 5.031,1310 9.427,1311 0.116,1312 0.043,1313 9.427,1314 3.488,1315 7.341,1316 0.074,1317 0.023,1318 7.341,1319 2.281,1320 0.335,1321 97.106,1322 0.216,1323 29.929,1324 0.577,1325 164,1326 560.147,1327 183.844,1328 538.287,1329 718.31,1330 496,1331 193,1332 527.335,1333 212.157,1334 531.705,1335 768.76,1336 494,1337 10.854}
{0 CHEMBL455012,1 1.355,2 10.679,3 4.938,4 24.383,5 117.825,6 7.01,7 0.71,8 4.053,9 4.193,10 3.574,11 3.626,12 5.132,13 3.588,14 4.562,15 4.749,16 3.922,17 4.019,18 5.587,19 3.952,20 4.823,21 5.047,22 3.987,23 4.171,24 5.75,25 4.078,26 4.898,27 5.141,28 3.913,29 4.173,30 5.811,31 4.048,32 4.922,33 5.183,34 3.842,35 4.162,36 5.776,37 4.021,38 4.898,39 5.154,40 3.807,41 4.159,42 5.706,43 4.011,44 4.925,45 5.191,46 3.807,47 4.158,48 5.757,49 4.012,50 4.866,51 5.125,52 3.782,53 4.108,54 5.733,55 3.966,56 0.066,57 0.803,58 11.529,59 4.562,60 11.75,61 6.48,62 0.213,63 1.28,64 20.195,65 8.007,66 24.48,67 11.382,68 0.192,69 1.576,70 27.183,71 10,72 25.753,73 14.674,74 0.246,75 1.646,76 29.811,77 11.169,78 36.669,79 16.357,80 0.306,81 1.645,82 31.08,83 11.572,84 36.95,85 16.948,86 0.18,87 1.584,88 29.977,89 11.807,90 27.785,91 17.211,92 0.262,93 1.624,94 31.267,95 11.661,96 34.973,97 17.141,98 0.195,99 1.539,100 29.208,101 11.063,102 31.213,103 16.265,104 13,105 43,106 0.223,107 0.561,108 0.737,109 0.859,110 0.873,111 0.886,112 3.375,113 0.938,114 -5.94,115 -5.8,116 -5.4,119 43.4,120 1,121 2,125 2,139 10,140 4,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 15,169 1,170 7,172 3,173 3,175 1,178 17,180 1,182 8,187 1,189 14,191 1,193 4,195 1,196 1,197 1,198 3,200 2,201 11,204 3,205 1,206 2,207 3,209 1,210 1,212 3,215 15,218 3,221 2,229 17,234 5,236 1,237 1,239 2,241 16,243 2,246 6,251 3,254 14,256 3,260 6,265 5,268 11,270 5,273 1330,274 19.179,275 19.179,276 19.179,277 19.179,278 19.179,279 16.6,280 18.133,281 11.499,282 19.459,283 15.313,284 15.313,285 15.313,286 15.313,287 15.313,288 11.455,289 24.996,290 5.46,291 15.79,292 4.373,293 2.325,294 1.259,295 0.519,296 0.429,297 0.354,298 4.075,301 1,302 1,303 653,304 3.317,307 296.241,311 251.429,314 1.559,315 16.206,318 0.75,319 0.83,320 1,321 0.8,322 0.5,323 1,324 1,325 0.84,326 58.5,327 299,328 4.551,329 3.234,330 6.526,331 4.074,332 3.108,333 4.495,334 0.916,335 10.271,336 3.006,337 4.408,338 3.039,339 6.197,340 3.93,341 2.937,342 4.336,343 0.172,344 9.285,345 2.923,346 3.98,347 2.879,348 6.096,349 3.684,350 2.74,351 3.366,353 8.904,354 2.582,355 3.623,356 2.401,357 5.245,358 3.216,359 2.235,360 3.046,362 6.624,363 2.196,364 3.449,365 2.21,366 5.064,367 3.015,368 2.081,369 2.811,371 5.911,372 1.931,373 3.417,374 2.067,375 5.01,376 2.938,377 1.991,378 2.773,380 5.793,381 1.882,382 3.118,383 1.688,384 4.428,385 2.618,386 1.625,387 2.427,389 4.387,390 1.618,391 2.909,392 1.618,393 4.329,394 2.608,395 1.618,396 2.098,398 4.091,399 1.596,400 2.78,401 1.434,402 3.708,403 2.413,404 1.414,405 1.823,407 3.007,408 1.412,409 2.452,410 1.247,411 3.618,412 2.138,413 1.165,414 1.433,415 2.565,416 1.131,417 2.3,418 1.056,419 3.39,420 1.974,421 1.001,422 1.278,423 2.392,424 0.972,425 2.161,426 0.733,427 3.17,428 1.696,429 0.697,430 1.015,431 1.599,432 0.696,433 1.398,434 0.37,435 2.877,436 1.223,437 0.244,438 0.258,439 0.423,440 0.238,441 1.34,442 0.173,443 2.699,444 0.984,445 0.035,446 0.046,448 0.092,449 0.033,450 1.017,451 -0.163,452 2.553,453 0.687,454 -0.292,455 -0.362,457 -0.657,458 -0.286,459 13.5,460 0.482,461 0.623,462 0.022,463 39.25,464 1.402,465 21.5,466 0.768,467 17.75,468 0.634,469 21.996,470 0.786,471 29.1,472 0.549,473 28.229,474 1.008,475 7.476,476 0.267,477 6.159,478 0.22,479 0.096,481 0.326,485 1.116,486 1.178,487 0.878,488 0.963,489 1.252,490 0.909,491 0.705,492 0.978,493 0.864,494 0.97,495 0.431,496 0.939,497 1.095,498 1.091,499 0.964,500 0.991,501 0.765,502 0.969,503 0.887,504 1.086,505 1.022,506 1.095,507 0.697,508 1.076,509 0.886,510 0.886,511 1.024,512 0.993,513 0.924,514 1.017,515 0.745,516 1.043,517 0.995,518 1.094,519 0.78,520 1.074,521 0.939,522 0.881,523 1.009,524 0.963,525 0.949,526 0.988,527 0.869,528 1.036,529 0.989,530 1.049,531 0.844,532 1.034,533 5.5,534 0.185,535 2.889,536 1.625,537 1.813,538 0.722,539 0.545,540 0.538,541 0.299,542 0.251,543 9771,544 22055,545 2.115,546 47.2,547 5,548 14,551 4,553 2,555 1.714,556 2,557 3.379,558 1.592,564 71.832,565 1.355,566 3.403,567 4.469,568 5.209,569 5.299,570 5.374,571 2.867,572 4.352,573 4.779,574 3.53,575 1334.27,576 8.33,577 17551.5,579 1,582 303.58,583 1.333,584 4.748,585 0.177,586 0.009,587 0.067,588 0.036,589 0.045,590 0.02,591 0.015,592 0.015,593 0.009,594 0.009,595 0.402,597 0.88,598 1.032,599 139.842,600 -0.097,601 -0.004,602 0.037,603 0.055,604 -0.204,605 0.059,606 0.289,607 0.12,608 0.077,609 0.037,610 0.304,611 0.036,612 -0.08,613 -0.049,614 -0.001,615 -0.002,616 0.015,617 0.005,618 0.062,619 -0.088,620 -0.053,621 -0.105,622 0.131,623 -0.093,624 0.06,625 0.09,626 -0.046,627 -0.007,628 -0.033,629 -0.032,630 -0.007,631 -0.098,632 -0.037,633 -0.077,634 -0.062,635 -0.063,636 -0.046,637 0.078,638 -0.032,639 0.029,640 -0.098,641 0.005,642 -0.028,643 -0.08,644 -0.019,645 -0.048,646 0.006,647 -0.035,648 1.461,649 2.091,650 0.714,651 25.429,652 0.988,653 1.125,654 4.712,655 22.205,656 0.673,657 3.466,658 3.784,659 4.06,660 4.344,661 4.615,662 4.673,663 4.796,664 4.949,665 5.056,666 5.024,667 6.368,668 0.63,669 371.53,670 3.466,671 5.004,672 5.855,673 6.735,674 7.604,675 8.489,676 9.366,677 10.253,678 11.133,679 12.021,680 9.4,684 2,686 1,690 2,694 4,695 10,696 2,700 4,702 22,711 2,714 1,718 53,719 22,720 3,721 31,723 56,724 23,725 18,726 6,727 10,729 4,730 6,734 1,739 2,741 18,742 5,757 25,758 5,759 4,760 5,764 5,769 0.5,776 1,781 4,785 2,802 2,806 1,810 28,811 2,816 4,821 1,836 14,837 9.6,838 6.194,839 3.318,840 4.364,841 1.57,842 1.027,843 5.312,844 12.026,845 3.761,846 4.419,847 5.061,848 5.702,849 6.331,850 6.629,851 7.02,852 7.43,853 7.826,854 7.839,855 1,856 45,857 10.306,859 4.32,860 7.548,861 20.103,863 16.586,865 2.048,866 57.333,868 1,869 1,870 247.193,871 132.901,872 102.49,877 132.901,878 247.193,879 102.49,880 8.825,881 9.28,882 160.557,883 33.571,884 18.93,885 4.227,886 247.193,888 247.193,889 235.39,893 223.651,894 23.542,897 22.149,898 179.67,899 33.571,901 247.193,902 102.49,903 132.901,906 247.193,907 29.313,908 106.712,910 99.365,911 247.193,912 102.49,913 132.901,915 0.574,916 0.334,917 0.188,918 0.11,919 21,920 9,921 0.107,922 6,923 2,924 1.2,925 3.966,926 246.137,927 0.2,928 20,929 134.606,933 18.516,934 8.032,935 4.051,936 4.142,937 102.49,938 21.262,939 8.394,943 3.035,945 65.794,946 482.583,947 42,956 52.345,957 59.644,958 0.237,959 0.594,960 0.78,961 0.909,962 0.925,963 0.938,964 4.98,965 1.618,966 5.832,967 4.387,968 4.466,969 5.106,970 0.918,971 6.635,972 4.406,973 6.199,974 1.414,975 7.381,976 4.091,977 4.007,978 4.956,979 0.325,980 7.486,981 3.9,982 7.513,983 1.165,984 9.028,985 3.007,986 6.047,987 7.405,988 0.671,989 10.591,990 5.929,991 8.864,992 1.001,993 10.734,994 2.565,995 6.399,996 8.087,997 0.393,998 12.257,999 6.238,1000 10.247,1001 0.697,1002 12.476,1003 2.392,1004 7.902,1005 10.005,1006 0.533,1007 14.862,1008 7.73,1009 11.653,1010 0.244,1011 14.244,1012 1.599,1013 8.646,1014 11.098,1015 0.384,1016 16.875,1017 8.439,1018 13.077,1019 0.035,1020 16.03,1021 0.423,1022 9.919,1023 12.781,1024 0.438,1025 19.293,1026 9.698,1027 3.108,1028 -0.292,1029 17.829,1030 0.092,1031 10.855,1032 14.081,1033 0.351,1034 21.461,1035 10.603,1036 2.937,1037 10.271,1038 19.638,1039 -0.657,1040 12.029,1041 15.657,1042 0.366,1043 23.804,1044 11.76,1045 2.74,1046 9.285,1047 21.456,1048 4.495,1049 13.056,1050 17.057,1051 0.312,1052 26.043,1053 12.759,1054 2.235,1055 8.904,1056 23.28,1057 4.336,1058 14.189,1059 18.584,1060 0.309,1061 28.359,1062 13.872,1063 2.081,1064 6.624,1065 25.11,1066 3.366,1067 15.259,1068 20.032,1069 0.273,1070 30.631,1071 14.916,1072 1.991,1073 5.911,1074 26.944,1075 3.046,1076 16.377,1077 21.538,1078 0.262,1079 32.939,1080 16.011,1081 1.625,1082 5.793,1083 28.782,1084 2.811,1085 17.468,1086 23.009,1087 0.236,1088 35.229,1089 17.076,1090 9260,1091 14071,1092 20.978,1093 35.643,1094 45.866,1095 45.877,1096 47.192,1097 45.834,1098 45.785,1099 62.409,1100 2.178,1101 130.689,1102 44.435,1103 5.425,1104 5.234,1105 6.387,1106 5.146,1107 5.108,1108 7.495,1109 1.605,1110 17.165,1111 5.006,1112 12.095,1113 1.48,1114 1.48,1115 1.522,1116 1.479,1117 1.477,1118 2.013,1119 0.07,1120 4.216,1121 1.433,1122 4.112,1123 4.142,1124 4.069,1125 4.058,1126 5.308,1127 4.055,1128 4.04,1129 4.069,1130 4.005,1131 3.961,1132 4.982,1133 3.97,1134 3.716,1135 3.785,1136 3.603,1137 3.564,1138 4.9,1139 3.56,1140 3.544,1141 3.607,1142 3.401,1143 3.439,1144 4.698,1145 3.424,1146 3.442,1147 3.5,1148 3.36,1149 3.272,1150 4.357,1151 3.292,1152 3.211,1153 3.297,1154 3.057,1155 3.036,1156 4.221,1157 3.03,1158 3.129,1159 3.236,1160 3.014,1161 2.947,1162 4.104,1163 2.937,1164 3.053,1165 3.115,1166 2.915,1167 2.887,1168 3.895,1169 2.9,1170 0.147,1171 0.104,1172 0.211,1173 0.131,1174 0.1,1175 4.551,1176 0.145,1177 3.234,1178 0.03,1179 6.526,1180 0.331,1181 4.074,1182 0.097,1183 3.108,1184 4.495,1185 0.916,1186 10.271,1187 3.006,1188 2.081,1189 2.061,1190 2.168,1191 2.151,1192 1.337,1193 2.154,1194 2.008,1195 1.981,1196 2.075,1197 2.11,1198 1.265,1199 2.104,1200 1.707,1201 1.641,1202 1.959,1203 1.893,1204 1.165,1205 1.916,1206 1.55,1207 1.501,1208 1.74,1209 1.71,1210 0.912,1211 1.724,1212 1.392,1213 1.331,1214 1.579,1215 1.587,1216 0.718,1217 1.59,1218 1.205,1219 1.126,1220 1.479,1221 1.439,1222 0.501,1223 1.469,1224 1.08,1225 1.023,1226 1.349,1227 1.386,1228 0.395,1229 1.371,1230 1.048,1231 0.967,1232 1.295,1233 1.244,1234 0.328,1235 1.285,1236 4.143,1238 5.46,1240 6.982,1242 8.604,1244 10.277,1246 2.212,1250 11.815,1252 4.083,1257 2.392,1262 33.375,1263 71.832,1264 180.333,1265 236.851,1266 276.07,1267 280.825,1268 284.825,1269 36.254,1270 7.662,1271 81.06,1272 81.06,1273 24,1274 12.553,1275 4.524,1276 3.585,1277 42.272,1278 103,1279 104,1280 0.192,1281 206.518,1282 342.02,1283 495.664,1284 22461,1286 19.51,1287 0.697,1288 0.575,1289 19.51,1290 16.098,1291 13.635,1292 0.44,1293 0.313,1294 9.614,1295 13.336,1296 9.357,1297 7.833,1298 13.635,1299 9.692,1300 12.173,1301 0.283,1302 0.166,1303 12.173,1304 7.125,1305 10.178,1306 0.179,1307 0.089,1308 10.178,1309 5.06,1310 8.767,1311 0.115,1312 0.047,1313 8.767,1314 3.561,1315 7.385,1316 0.074,1317 0.026,1318 7.385,1319 2.59,1320 0.299,1321 83.781,1322 0.218,1323 26.586,1324 0.536,1325 148,1326 341.56,1327 156.798,1328 348.981,1329 496.4,1330 328,1331 174,1332 385.141,1333 182.659,1334 397.222,1335 580.63,1336 375,1337 7.796}
{0 CHEMBL476548,1 1.808,2 13.455,3 2.544,4 6.474,5 124.523,6 8.291,7 0.457,8 4.151,9 4.268,10 3.803,11 3.655,12 5.41,13 3.646,14 4.635,15 4.787,16 4.212,17 4.048,18 5.994,19 4.001,20 4.907,21 5.095,22 4.284,23 4.196,24 6.101,25 4.122,26 4.957,27 5.137,28 4.292,29 4.194,30 6.212,31 4.132,32 4.995,33 5.185,34 4.299,35 4.198,36 6.364,37 4.134,38 4.981,39 5.18,40 4.217,41 4.179,42 6.379,43 4.093,44 4.91,45 5.122,46 3.993,47 4.078,48 6.228,49 3.986,50 4.819,51 5.062,52 3.865,53 3.949,54 5.969,55 3.835,56 0.221,57 0.882,58 10.935,59 4.889,60 34.434,61 5.715,62 0.544,63 1.361,64 20.438,65 8.751,66 89.843,67 10.879,68 0.726,69 1.63,70 33.311,71 11.248,72 106.024,73 13.567,74 0.812,75 1.681,76 35.244,77 11.505,78 123.445,79 13.628,80 1.071,81 1.698,82 35.943,83 10.524,84 167.892,85 13.1,86 1.006,87 1.626,88 38.791,89 11.986,90 161.821,91 15.317,92 0.846,93 1.48,94 32.953,95 10.805,96 137.461,97 14.013,98 0.633,99 1.327,100 30.473,101 10.107,102 81.623,103 13.721,104 82,105 49,106 0.295,107 0.685,108 0.818,109 0.875,110 0.881,111 0.881,112 3.531,113 0.941,114 -3.75,115 -3.72,116 -3.54,119 36.8,120 1,121 4,127 1,139 4,140 3,141 1,144 1,147 1,150 1,153 3,155 1,157 2,158 2,159 2,161 2,165 2,166 9,167 1,169 1,170 4,172 3,173 7,175 7,176 1,178 10,179 2,180 1,182 6,185 1,186 1,187 7,189 8,190 1,191 1,193 7,194 1,195 1,196 2,197 3,198 8,199 1,200 4,201 6,202 1,203 1,204 2,205 1,206 1,207 5,208 2,210 2,211 1,212 7,213 2,215 10,216 2,218 3,220 1,221 7,222 1,224 2,225 1,226 7,229 11,230 3,231 3,233 1,234 7,237 1,239 6,241 8,242 2,243 3,246 6,249 1,250 1,251 8,254 4,255 3,256 5,260 6,265 8,268 2,270 3,273 1917,274 21.593,275 21.593,276 21.593,277 21.593,278 21.593,279 19.161,280 21.927,281 12.725,282 22.045,283 17.226,284 17.226,285 17.226,286 17.226,287 17.226,288 13.412,289 21.352,290 5.967,291 18.005,292 4.025,293 1.637,294 0.82,295 0.469,296 0.434,297 0.434,298 4.208,301 1,303 921,304 4.69,306 83.585,307 224.595,310 160.917,314 2.143,315 52.447,318 0.5,319 0.33,320 0.5,321 0.8,323 0.5,324 0.5,325 0.45,326 74,327 444,328 4.712,329 4.578,330 6.924,331 4.237,332 3.28,333 4.684,334 2.95,335 11.672,336 3.143,337 4.209,338 3.777,339 6.116,340 3.883,341 2.893,342 3.776,343 2.375,344 8.892,345 2.861,346 3.933,347 3.592,348 5.847,349 3.64,350 2.669,351 3.363,352 2.341,353 8.065,354 2.602,355 3.848,356 3.522,357 5.805,358 3.456,359 2.533,360 3.116,361 1.061,362 7.84,363 2.307,364 3.648,365 3.386,366 5.304,367 3.234,368 2.289,369 2.951,370 0.14,371 6.728,372 2.165,373 3.523,374 2.911,375 5.13,376 3.174,377 2.17,378 2.811,380 6.026,381 2.128,382 3.433,383 2.374,384 4.946,385 2.946,386 2.022,387 2.686,389 5.513,390 1.859,391 3.228,392 2.162,393 4.645,394 2.781,395 1.842,396 2.493,398 5.12,399 1.724,400 2.875,401 2.042,402 4.377,403 2.478,404 1.522,405 1.921,407 3.982,408 1.434,409 2.657,410 1.983,411 4.18,412 2.338,413 1.375,414 1.685,415 3.621,416 1.304,417 2.5,418 1.935,419 3.62,420 2.121,421 1.109,422 1.5,423 2.601,424 1.103,425 2.473,426 1.104,427 3.414,428 2,429 1,430 1.358,431 2.275,432 1,433 2.076,434 1,435 3.318,436 1.862,437 0.896,438 1.025,439 1.708,440 0.862,441 1.574,442 0.969,443 2.984,444 1.351,445 0.36,446 0.403,448 0.823,449 0.349,450 1.377,451 0.808,452 2.788,453 0.977,454 0.079,455 0.097,457 0.203,458 0.069,459 15.4,460 0.467,461 0.983,462 0.03,463 41.25,464 1.25,465 20,466 0.606,467 21.25,468 0.644,469 30.063,470 0.911,471 36.8,472 0.646,473 35.564,474 1.078,475 8.024,476 0.243,477 7.665,478 0.232,479 0.193,481 0.39,485 0.914,486 1.178,487 0.783,488 0.885,489 0.806,490 0.844,491 0.372,492 1.077,493 0.712,494 1.038,495 0.381,496 0.987,497 0.934,498 1.113,499 1.096,500 1.051,501 0.905,502 0.962,503 1.087,504 1.114,505 1.198,506 1.17,507 1.085,508 1.07,509 1.098,510 0.981,511 1.173,512 0.994,513 1.038,514 1.016,515 0.703,516 1.107,517 1.141,518 1.253,519 0.644,520 1.117,521 0.868,522 1.046,523 1.08,524 1.088,525 0.8,526 1.132,527 0.711,528 1.01,529 0.872,530 1.001,531 0.709,532 1.052,533 8,534 0.222,535 3.778,536 2.917,537 2.197,538 1.539,539 0.72,540 0.551,541 0.401,542 0.273,543 15110,544 53674,545 1.959,546 42.1,547 7,548 5,551 8,552 2,553 2,555 1.75,556 1.784,557 3.657,558 4.994,560 1,564 103.078,565 1.808,566 4.196,567 5.013,568 5.364,569 5.399,570 5.399,571 3.075,572 4.718,573 5.016,574 3.899,575 2058.73,576 8.772,577 32001.2,582 332.475,583 1.556,584 4.943,585 0.229,586 0.009,587 0.077,588 0.057,589 0.043,590 0.031,591 0.016,592 0.014,593 0.012,594 0.01,595 0.499,596 0.17,597 0.63,598 1.82,599 177.495,600 -0.188,601 0.063,602 -0.005,603 0.155,604 -0.143,605 0.11,606 0.309,607 0.074,608 0.167,609 0.036,610 0.242,611 0.02,612 -0.091,613 -0.039,614 -0.009,615 0.074,616 -0.091,617 0.051,618 -0.133,619 -0.046,620 -0.118,621 -0.069,622 -0.136,623 -0.083,624 -0.094,625 0.089,626 -0.13,627 0.034,628 -0.045,629 -0.065,630 0.163,631 -0.098,632 -0.054,633 -0.141,634 0.215,635 -0.084,636 -0.013,637 -0.069,638 -0.144,639 -0.098,640 0.05,641 -0.121,642 0.028,643 -0.08,644 0.059,645 -0.036,646 0.005,647 -0.01,648 2.956,649 5.424,650 0.455,651 38.336,652 1.022,653 1.135,654 2.524,655 6.369,656 0.663,657 3.584,658 3.912,659 4.143,660 4.419,661 4.635,662 4.745,663 4.804,664 4.913,665 4.97,666 5.024,667 8.072,668 0.643,669 472.58,670 3.584,671 5.13,672 5.969,673 6.853,674 7.72,675 8.612,676 9.491,677 10.389,678 11.275,679 12.176,680 10.5,684 2,687 1,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,707 1,711 2,718 57,719 19,720 1,721 35,723 59,724 21,725 12,726 2,727 4,728 1,729 3,730 4,734 1,739 5,741 15,742 6,744 3,748 3,751 3,754 1,757 24,758 10,759 8,760 12,761 1,764 6,769 0.667,770 5,776 1,777 1,780 1,781 2,784 1,792 2,800 2,802 2,803 1,804 1,806 1,810 33,811 2,815 2,816 4,817 1,819 1,820 1,829 8.8,831 2,832 3,836 18.5,837 10.05,838 7.333,839 3.314,840 3.326,841 1.431,842 0.938,843 8.183,844 11.043,845 3.85,846 4.451,847 4.995,848 5.604,849 6.131,850 6.486,851 6.853,852 7.253,853 7.497,854 7.821,855 0.889,856 51,857 12.25,859 5.322,860 8.212,861 22.297,863 17.98,865 2.712,866 89.5,870 188.338,871 113.171,872 134.162,874 160.801,876 32.22,877 80.952,878 349.139,879 134.162,880 8.825,881 28.149,882 103.699,883 202.612,884 28.402,885 4.227,886 220.557,888 188.338,889 215.114,890 160.801,891 32.22,893 164.795,894 184.344,897 58.496,898 123.047,899 33.571,900 32.22,901 188.338,902 294.963,903 113.171,906 188.338,907 66.441,908 46.73,909 34.796,910 260.167,911 188.338,912 294.963,913 113.171,915 0.581,916 0.326,917 0.177,918 0.104,919 21,920 12,921 0.169,922 10,923 1,924 1.133,925 4.267,926 292.063,927 0.133,928 15,929 162.465,930 1,933 24.83,934 10.876,935 6.162,936 1.3,937 278.178,938 6.61,939 8.278,940 3.238,943 3.311,945 185.957,946 596.472,947 46,951 34.419,954 -3.02,956 58.276,957 64.694,958 0.31,959 0.719,960 0.859,961 0.92,962 0.926,963 0.926,964 5.094,965 1.842,966 5.974,967 5.513,968 4.595,969 5.139,970 3.646,971 6.792,972 4.509,973 6.317,974 1.522,975 7.543,976 5.12,977 4.29,978 5.103,979 2.882,980 7.724,981 4.166,982 7.637,983 1.375,984 9.21,985 3.982,986 6.196,987 7.361,988 5.442,989 10.821,990 6.032,991 8.99,992 1.109,993 10.933,994 3.621,995 6.661,996 8.126,997 4.828,998 12.599,999 6.468,1000 10.373,1001 1,1002 12.694,1003 2.601,1004 8.088,1005 9.929,1006 7.439,1007 15.245,1008 7.857,1009 11.78,1010 0.896,1011 14.482,1012 2.275,1013 8.912,1014 11.088,1015 6.631,1016 17.406,1017 8.653,1018 13.206,1019 0.36,1020 16.291,1021 1.708,1022 10.158,1023 12.72,1024 9.509,1025 19.907,1026 9.862,1027 3.28,1028 0.079,1029 18.118,1030 0.823,1031 11.157,1032 14.078,1033 8.385,1034 22.237,1035 10.83,1036 2.893,1037 11.672,1038 19.959,1039 0.203,1040 12.337,1041 15.645,1042 11.615,1043 24.697,1044 11.972,1045 2.669,1046 8.892,1047 21.813,1048 4.684,1049 13.422,1050 17.1,1051 10.118,1052 27.099,1053 13.02,1054 2.533,1055 8.065,1056 23.677,1057 3.776,1058 14.583,1059 18.645,1060 13.741,1061 29.55,1062 14.142,1063 2.289,1064 7.84,1065 25.551,1066 3.363,1067 15.71,1068 20.146,1069 11.843,1070 31.983,1071 15.229,1072 2.17,1073 6.728,1074 27.433,1075 3.116,1076 16.87,1077 21.685,1078 15.881,1079 34.434,1080 16.348,1081 2.022,1082 6.026,1083 29.322,1084 2.951,1085 18.019,1086 23.207,1087 13.563,1088 36.88,1089 17.455,1090 15081,1091 28568,1092 22.194,1093 37.807,1094 52.703,1095 56.488,1096 54.822,1097 52.156,1098 52.076,1099 67.736,1100 17.734,1101 150.137,1102 49.824,1103 5.623,1104 6.578,1105 6.682,1106 5.39,1107 5.28,1108 7.684,1109 5.9,1110 18.826,1111 5.143,1112 22.367,1113 1.506,1114 1.614,1115 1.566,1116 1.49,1117 1.488,1118 1.935,1119 0.507,1120 4.29,1121 1.424,1122 4.12,1123 4.159,1124 4.192,1125 4.022,1126 7.477,1127 4.021,1128 3.921,1129 3.945,1130 3.912,1131 3.847,1132 7.471,1133 3.845,1134 3.753,1135 3.786,1136 3.704,1137 3.59,1138 7.428,1139 3.598,1140 3.577,1141 3.654,1142 3.539,1143 3.412,1144 6.352,1145 3.404,1146 3.46,1147 3.477,1148 3.401,1149 3.242,1150 6.35,1151 3.246,1152 3.369,1153 3.441,1154 3.35,1155 3.142,1156 5.318,1157 3.165,1158 3.206,1159 3.219,1160 3.171,1161 2.97,1162 4.981,1163 3.003,1164 3.094,1165 3.198,1166 2.978,1167 2.775,1168 4.763,1169 2.812,1170 0.135,1171 0.131,1172 0.198,1173 0.121,1174 0.094,1175 4.712,1176 0.134,1177 4.578,1178 0.084,1179 6.924,1180 0.333,1181 4.237,1182 0.09,1183 3.28,1184 4.684,1185 2.95,1186 11.672,1187 3.143,1188 1.909,1189 1.892,1190 1.99,1191 2.015,1192 1.248,1193 2.001,1194 1.844,1195 1.808,1196 1.965,1197 1.998,1198 1.221,1199 1.984,1200 1.702,1201 1.662,1202 1.892,1203 1.888,1204 1.09,1205 1.892,1206 1.643,1207 1.582,1208 1.806,1209 1.835,1210 0.879,1211 1.853,1212 1.371,1213 1.326,1214 1.518,1215 1.618,1216 0.659,1217 1.587,1218 1.296,1219 1.266,1220 1.468,1221 1.568,1222 0.581,1223 1.55,1224 1.054,1225 1.042,1226 1.279,1227 1.383,1228 0.351,1229 1.366,1230 1.016,1231 0.927,1232 1.254,1233 1.34,1234 0.218,1235 1.286,1236 4.263,1238 5.587,1239 2.398,1240 7.089,1241 4.844,1242 8.681,1243 7.05,1244 10.326,1246 2.051,1250 11.777,1251 17.96,1252 1.072,1253 2.357,1255 1.434,1256 -1.287,1262 36.631,1263 103.078,1264 239.191,1265 285.72,1266 305.72,1267 307.72,1268 307.72,1269 97.227,1270 7.717,1271 197.31,1272 222.61,1273 17,1274 12.7,1275 4.322,1276 3.585,1277 64.516,1278 163,1279 152,1280 0.195,1281 232.633,1282 404.14,1283 559.385,1284 24205,1286 24.121,1287 0.731,1288 0.564,1289 24.474,1290 18.608,1291 15.689,1292 0.448,1293 0.314,1294 10.076,1295 14.554,1296 9.819,1297 8.144,1298 16.097,1299 10.977,1300 14.544,1301 0.297,1302 0.171,1303 15.213,1304 8.38,1305 11.072,1306 0.179,1307 0.095,1308 11.829,1309 5.909,1310 9.324,1311 0.114,1312 0.052,1313 10.154,1314 4.298,1315 7.408,1316 0.073,1317 0.031,1318 8.383,1319 3.111,1320 0.313,1321 103.312,1322 0.212,1323 30.992,1324 0.516,1325 168,1326 580.947,1327 215.796,1328 578.343,1329 763.1,1330 532,1331 195,1332 529.262,1333 234.956,1334 546.536,1335 797.6,1336 514,1337 7.222}
{0 CHEMBL476744,1 1.712,2 8.76,3 3.58,4 12.815,5 102.529,6 7.815,7 0.593,8 3.937,9 4.062,10 3.579,11 3.447,12 5.087,13 3.418,14 4.431,15 4.606,16 3.966,17 3.819,18 5.528,19 3.763,20 4.554,21 4.725,22 4.101,23 3.968,24 5.597,25 3.886,26 4.632,27 4.802,28 4.121,29 4.025,30 5.717,31 3.918,32 4.759,33 4.974,34 4.017,35 4.047,36 5.758,37 3.908,38 4.752,39 4.98,40 3.861,41 3.959,42 5.687,43 3.837,44 4.676,45 4.883,46 3.752,47 3.846,48 5.711,49 3.781,50 4.701,51 4.937,52 3.641,53 3.805,54 5.716,55 3.697,56 0.075,57 0.714,58 10.018,59 4.076,60 11.419,61 5.118,62 0.334,63 1.077,64 19.823,65 7.224,66 29.304,67 8.94,68 0.248,69 1.254,70 24.819,71 8.509,72 19.221,73 10.183,74 0.313,75 1.371,76 27.11,77 9.606,78 27.579,79 11.6,80 0.502,81 1.474,82 33.855,83 9.823,84 38.887,85 12.636,86 0.358,87 1.346,88 34.066,89 10.308,90 29.585,91 13.316,92 0.482,93 1.203,94 25.418,95 7.64,96 39.878,97 10.197,98 0.427,99 1.179,100 24.725,101 8.331,102 40.155,103 11.931,104 36,105 38,106 0.295,107 0.655,108 0.79,109 0.83,110 0.845,111 0.868,112 3.268,113 0.969,114 -3.97,115 -3.93,116 -3.72,119 37,120 1,121 2,124 2,139 3,140 2,141 3,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 5,169 1,170 5,172 3,173 4,175 4,178 6,180 1,182 6,187 2,189 6,191 1,193 4,195 1,196 2,197 3,198 4,200 4,201 4,204 2,205 1,206 1,207 4,210 1,212 5,215 4,218 3,221 6,224 1,226 4,229 4,231 3,233 1,234 5,239 2,241 4,243 2,245 2,246 4,248 1,249 1,251 3,254 2,256 3,259 1,260 2,262 2,263 2,265 2,268 1,270 2,273 896,274 16.989,275 16.989,276 16.989,277 16.989,278 16.989,279 15.037,280 19.664,281 9.931,282 17.742,283 13.174,284 13.174,285 13.174,286 13.174,287 13.174,288 10.041,289 20.988,290 4.463,291 14.256,292 3.812,293 1.722,294 0.935,295 0.701,296 0.614,297 0.484,298 3.946,300 1,301 1,302 1,303 458,304 3.082,306 50.199,307 143.581,310 98.15,314 1.168,315 21.87,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54.5,327 219,328 4.713,329 4.597,330 6.925,331 4.239,332 3.283,333 4.684,334 2.95,335 11.676,336 3.144,337 4.272,338 3.459,339 6.199,340 3.835,341 2.906,342 3.917,343 0.86,344 9.274,345 2.69,346 3.851,347 3.022,348 5.752,349 3.405,350 2.487,351 3.333,352 0.86,353 7.707,354 2.279,355 3.544,356 2.723,357 5.222,358 3.15,359 2.235,360 2.863,362 6.495,363 2.03,364 3.44,365 2.501,366 5.161,367 2.964,368 2.049,369 2.811,371 6.117,372 1.867,373 3.252,374 2.297,375 4.967,376 2.792,377 1.867,378 2.522,380 5.595,381 1.727,382 2.9,383 1.996,384 4.518,385 2.55,386 1.634,387 2.026,389 4.408,390 1.472,391 2.635,392 1.938,393 4.216,394 2.277,395 1.33,396 1.67,398 3.565,399 1.249,400 2.076,401 1.268,402 3.32,403 1.861,404 0.896,405 1.025,407 1.708,408 0.861,409 1.941,410 0.963,411 3.098,412 1.64,413 0.773,414 0.873,415 1.367,416 0.663,417 1.491,418 0.917,419 2.898,420 1.208,421 0.355,422 0.394,423 0.52,424 0.3,425 1.263,426 0.663,427 2.717,428 0.919,429 0.035,430 0.041,431 0.076,432 0.03,433 1.132,434 0.387,435 2.586,436 0.756,437 -0.163,438 -0.197,439 -0.356,440 -0.151,441 0.919,442 0.015,443 2.471,444 0.529,445 -0.38,446 -0.476,448 -0.841,449 -0.341,450 0.68,451 -0.166,452 2.261,453 0.327,454 -0.578,455 -0.674,457 -1.295,458 -0.515,459 12,460 0.48,461 0.606,462 0.024,463 33,464 1.32,465 16.5,466 0.66,467 16.5,468 0.66,469 21.225,470 0.849,471 27.6,472 0.6,473 23.708,474 0.948,475 6.383,476 0.255,477 5.684,478 0.227,479 0.192,481 0.375,485 1.053,486 1.243,487 0.789,488 0.963,489 1.213,490 0.908,491 1.045,492 0.82,493 0.74,494 0.786,495 0.65,496 0.74,497 1.059,498 1.177,499 1.068,500 1.096,501 0.887,502 0.9,503 0.757,504 1.251,505 1.197,506 1.37,507 0.702,508 1.18,509 0.854,510 1.142,511 1.461,512 1.312,513 1.142,514 1.157,515 0.865,516 1.179,517 1.316,518 1.349,519 0.749,520 1.094,521 1.608,522 0.989,523 1.087,524 0.929,525 1.416,526 1.044,527 0.944,528 1.116,529 0.813,530 1.009,531 0.922,532 1.174,533 5.5,534 0.049,535 2.667,536 2.479,537 1.748,538 1.067,539 0.615,540 0.491,541 0.336,542 0.191,543 6082,544 17301,545 2.015,546 45.7,547 7,548 9,551 5,555 1.688,556 1.852,557 3.116,558 2.647,560 1,564 78.749,565 1.712,566 3.801,567 4.588,568 4.822,569 4.909,570 5.04,571 2.423,572 4.404,573 4.616,574 3.242,575 972.715,576 8.024,577 11618.2,579 1,581 1,582 254.084,583 1.516,584 4.555,585 0.204,586 0.007,587 0.07,588 0.06,589 0.044,590 0.03,591 0.018,592 0.015,593 0.012,594 0.011,595 0.472,596 0.17,597 1,598 1.203,599 118.315,600 -0.138,601 -0.03,602 0.048,603 0.048,604 -0.226,605 0.053,606 0.074,607 0.254,608 0.231,609 0.253,610 0.229,611 0.241,612 -0.103,613 -0.037,614 0.105,615 0.094,616 -0.051,617 0.109,618 0.096,619 -0.102,620 -0.02,621 -0.163,622 0.129,623 -0.162,624 -0.019,625 -0.013,626 -0.209,627 -0.13,628 -0.192,629 -0.161,630 -0.002,631 -0.165,632 -0.147,633 -0.212,634 0.051,635 -0.072,636 -0.291,637 0.007,638 -0.254,639 -0.071,640 -0.292,641 -0.133,642 0.067,643 -0.204,644 -0.091,645 -0.202,646 0.062,647 -0.223,648 1.509,649 2.092,650 0.6,651 19.446,652 1.007,653 1.134,654 2.742,655 7.519,656 0.667,657 3.332,658 3.664,659 3.97,660 4.29,661 4.511,662 4.644,663 4.718,664 4.82,665 4.852,666 4.82,667 5.435,668 0.629,669 359.5,670 3.332,671 4.875,672 5.74,673 6.64,674 7.529,675 8.439,676 9.337,677 10.251,678 11.153,679 12.069,680 10.9,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,716 2,718 46,719 16,720 1,721 27,723 48,724 17,725 12,726 3,727 3,729 3,730 4,734 1,739 2,741 12,742 5,753 1,754 1,757 21,758 6,759 5,760 8,761 1,764 5,769 0.667,770 2,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 3,810 25,811 2,816 2,818 2,819 1,829 4.3,834 2,836 13.5,837 9.067,838 5.722,839 2.624,840 3.222,841 1.447,842 0.986,843 5.489,844 10.424,845 3.584,846 4.245,847 4.895,848 5.553,849 6.09,850 6.449,851 6.81,852 7.224,853 7.461,854 7.727,855 0.833,856 41,857 9.167,859 3.775,860 7.713,861 17.442,863 13.839,865 2.213,866 55.333,869 1,870 188.338,871 121.169,872 116.151,874 22,876 32.22,877 88.949,878 210.337,879 116.151,880 30.591,881 5.069,882 94.223,883 35.286,884 57.703,885 4.227,886 220.557,888 188.338,889 205.1,890 22,891 32.22,893 188.338,894 22,897 35.416,898 136.113,899 33.571,900 32.22,901 188.338,902 138.151,903 121.169,906 188.338,907 62.149,908 59.02,909 16.786,910 121.365,911 188.338,912 138.151,913 121.169,915 0.571,916 0.35,917 0.205,918 0.116,919 18,920 9,921 0.125,922 6,923 1,924 1.133,925 3.524,926 210.926,927 0.133,928 15,929 116.096,930 1,933 18.013,934 7.619,935 3.598,936 1.484,937 121.365,938 5.689,939 8.376,940 3.323,943 5.062,945 82.58,946 447.657,947 35,956 46.309,957 52.152,958 0.31,959 0.688,960 0.831,961 0.873,962 0.889,963 0.912,964 4.82,965 1.33,966 5.74,967 4.408,968 4.344,969 4.931,970 3.062,971 6.594,972 4.195,973 6.054,974 0.896,975 7.324,976 3.565,977 4.007,978 4.913,980 7.576,981 3.799,982 7.39,983 0.773,984 9.008,985 1.708,986 5.974,987 7.247,988 5.041,989 10.705,990 5.705,991 8.766,992 0.355,993 10.749,994 1.367,995 6.447,996 8.047,998 12.528,999 6.129,1000 10.174,1001 0.035,1002 12.527,1003 0.52,1004 7.903,1005 9.885,1006 7.186,1007 15.193,1008 7.539,1009 11.605,1010 -0.163,1011 14.332,1012 0.076,1013 8.755,1014 11.073,1016 17.382,1017 8.349,1018 13.056,1019 -0.38,1020 16.158,1021 -0.356,1022 10.019,1023 12.719,1024 9.348,1025 19.895,1026 9.572,1027 3.283,1028 -0.578,1029 18,1030 -0.841,1031 11.047,1032 14.093,1034 22.239,1035 10.561,1036 2.906,1037 11.676,1038 19.857,1039 -1.295,1040 12.241,1041 15.665,1042 11.511,1043 24.705,1044 11.718,1045 2.487,1046 9.274,1047 21.725,1048 4.684,1049 13.348,1050 17.126,1052 27.112,1053 12.786,1054 2.235,1055 7.707,1056 23.603,1057 3.917,1058 14.522,1059 18.672,1060 13.675,1061 29.565,1062 13.922,1063 2.049,1064 6.495,1065 25.489,1066 3.333,1067 15.665,1068 20.173,1070 31.999,1071 15.027,1072 1.867,1073 6.117,1074 27.382,1075 2.863,1076 16.835,1077 21.711,1078 15.838,1079 34.45,1080 16.159,1081 1.634,1082 5.595,1083 29.28,1084 2.811,1085 17.995,1086 23.232,1088 36.895,1089 17.281,1090 6107,1091 10444,1092 17.512,1093 30.676,1094 39.712,1095 43.069,1096 42.627,1097 39.635,1098 39.701,1099 52.32,1100 9.34,1101 117.014,1102 36.626,1103 5.52,1104 6.597,1105 6.683,1106 5.401,1107 5.283,1108 7.684,1109 5.9,1110 18.847,1111 5.144,1112 14.238,1113 1.471,1114 1.595,1115 1.579,1116 1.468,1117 1.47,1118 1.938,1119 0.346,1120 4.334,1121 1.357,1122 4.118,1123 4.158,1124 4.193,1125 4.017,1126 5.318,1127 4.019,1128 3.891,1129 3.903,1130 3.908,1131 3.815,1132 4.981,1133 3.814,1134 3.577,1135 3.654,1136 3.525,1137 3.412,1138 4.912,1139 3.403,1140 3.372,1141 3.453,1142 3.358,1143 3.19,1144 4.731,1145 3.173,1146 3.317,1147 3.367,1148 3.173,1149 3.021,1150 4.601,1151 3.046,1152 3.147,1153 3.235,1154 3.047,1155 2.873,1156 4.161,1157 2.86,1158 3.096,1159 3.216,1160 2.963,1161 2.838,1162 4.127,1163 2.825,1164 2.864,1165 2.972,1166 2.878,1167 2.743,1168 4.021,1169 2.747,1170 0.175,1171 0.17,1172 0.256,1173 0.157,1174 0.122,1175 4.713,1176 0.173,1177 4.597,1178 0.109,1179 6.925,1180 0.432,1181 4.239,1182 0.116,1183 3.283,1184 4.684,1185 2.95,1186 11.676,1187 3.144,1188 1.874,1189 1.865,1190 1.97,1191 2.015,1192 1.247,1193 1.986,1194 1.84,1195 1.805,1196 1.934,1197 1.963,1198 1.067,1199 1.964,1200 1.643,1201 1.581,1202 1.806,1203 1.836,1204 0.878,1205 1.855,1206 1.359,1207 1.301,1208 1.592,1209 1.578,1210 0.653,1211 1.582,1212 1.235,1213 1.175,1214 1.539,1215 1.562,1216 0.586,1217 1.565,1218 1.131,1219 1.037,1220 1.513,1221 1.433,1222 0.556,1223 1.47,1224 1.029,1225 0.936,1226 1.279,1227 1.382,1228 0.343,1229 1.366,1230 0.9,1231 0.811,1232 1.254,1233 1.27,1234 0.17,1235 1.285,1236 4.007,1238 5.333,1239 2.398,1240 6.862,1241 4.844,1242 8.491,1243 7.05,1244 10.174,1246 5.405,1250 11.82,1252 1.825,1254 10.796,1255 1.551,1262 28.938,1263 78.749,1264 174.859,1265 211.064,1266 221.819,1267 225.819,1268 231.819,1269 37.411,1270 7.202,1271 112.07,1272 137.37,1273 17,1274 12.583,1275 4.087,1276 3.17,1277 41.422,1278 80,1279 82,1280 0.256,1281 184.263,1282 305.49,1283 441.362,1284 11563,1286 17.974,1287 0.719,1288 0.609,1289 18.328,1290 15.237,1291 12.066,1292 0.447,1293 0.323,1294 7.826,1295 11.057,1296 7.488,1297 6.306,1298 12.475,1299 8.72,1300 10.591,1301 0.279,1302 0.172,1303 11.233,1304 6.544,1305 8.964,1306 0.172,1307 0.095,1308 9.751,1309 4.936,1310 7.972,1311 0.111,1312 0.053,1313 8.951,1314 3.852,1315 6.195,1316 0.069,1317 0.031,1318 7.252,1319 2.773,1320 0.388,1321 80.514,1322 0.239,1323 23.685,1324 0.748,1325 130,1326 392.579,1327 170.429,1328 397.89,1329 552.25,1330 374,1331 155,1332 400.411,1333 192.58,1334 422.793,1335 621.12,1336 395,1337 5.051}
{0 CHEMBL476745,1 1.712,2 9.48,3 3.58,4 12.815,5 102.529,6 7.815,7 0.593,8 3.937,9 4.062,10 3.579,11 3.447,12 5.087,13 3.418,14 4.431,15 4.606,16 3.966,17 3.819,18 5.526,19 3.763,20 4.555,21 4.725,22 4.073,23 3.966,24 5.612,25 3.882,26 4.635,27 4.804,28 4.099,29 4.003,30 5.734,31 3.909,32 4.767,33 4.981,34 3.998,35 4.024,36 5.76,37 3.895,38 4.742,39 4.987,40 3.763,41 3.968,42 5.625,43 3.794,44 4.628,45 4.879,46 3.627,47 3.785,48 5.584,49 3.667,50 4.526,51 4.762,52 3.531,53 3.64,54 5.539,55 3.558,56 0.075,57 0.714,58 10.018,59 4.076,60 11.419,61 5.118,62 0.334,63 1.077,64 19.823,65 7.224,66 28.748,67 8.94,68 0.312,69 1.253,70 24.666,71 8.566,72 21.079,73 10.316,74 0.315,75 1.352,76 26.643,77 9.35,78 28.719,79 11.425,80 0.496,81 1.444,82 31.83,83 9.071,84 42.053,85 11.819,86 0.334,87 1.355,88 34.64,89 10.82,90 30.002,91 14.127,92 0.355,93 1.154,94 28.183,95 8.417,96 35.251,97 11.438,98 0.315,99 1.006,100 20.726,101 6.642,102 32.104,103 9.564,104 36,105 38,106 0.295,107 0.655,108 0.79,109 0.83,110 0.838,111 0.845,112 3.268,113 0.969,114 -3.97,115 -3.93,116 -3.72,119 37,120 1,121 2,124 2,139 3,140 2,141 3,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 5,169 1,170 4,172 3,173 4,175 4,178 7,180 1,181 1,182 5,187 2,189 6,191 1,193 5,195 1,196 2,197 3,198 5,200 4,201 4,204 2,205 1,207 4,212 5,215 6,218 3,221 5,224 1,226 3,229 4,231 3,234 6,237 1,239 3,241 3,243 3,245 1,246 4,251 4,254 1,256 4,259 2,260 2,262 1,263 1,265 1,270 1,273 900,274 16.989,275 16.989,276 16.989,277 16.989,278 16.989,279 15.037,280 19.418,281 9.924,282 17.745,283 13.174,284 13.174,285 13.174,286 13.174,287 13.174,288 10.041,289 20.928,290 4.446,291 14.26,292 3.812,293 1.722,294 0.935,295 0.701,296 0.658,297 0.614,298 3.946,300 1,301 1,302 1,303 497,304 3.082,306 52.721,307 146.318,310 102.568,314 1.341,315 21.577,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54.5,327 237,328 4.712,329 4.579,330 6.924,331 4.237,332 3.281,333 4.684,334 2.95,335 11.672,336 3.143,337 4.267,338 3.412,339 6.168,340 3.837,341 2.9,342 3.913,343 0.86,344 9.142,345 2.708,346 3.88,347 3.144,348 5.812,349 3.438,350 2.536,351 3.353,352 0.86,353 7.951,354 2.291,355 3.549,356 2.871,357 5.268,358 3.126,359 2.219,360 2.886,362 6.606,363 1.984,364 3.418,365 2.363,366 5.12,367 2.928,368 2.007,369 2.788,371 6.002,372 1.843,373 3.206,374 2.182,375 4.942,376 2.773,377 1.832,378 2.465,380 5.497,381 1.719,382 2.919,383 2.005,384 4.394,385 2.521,386 1.609,387 2.057,389 4.138,390 1.461,391 2.671,392 1.944,393 4.329,394 2.382,395 1.449,396 1.706,398 3.85,399 1.335,400 2.076,401 1.239,402 3.326,403 1.866,404 0.9,405 1.025,407 1.708,408 0.865,409 1.928,410 0.962,411 3.102,412 1.6,413 0.713,414 0.841,415 1.335,416 0.625,417 1.491,418 0.937,419 2.911,420 1.212,421 0.366,422 0.4,423 0.526,424 0.307,425 1.261,426 0.688,427 2.715,428 0.919,429 0.035,430 0.041,431 0.076,432 0.03,433 1.131,434 0.393,435 2.527,436 0.756,437 -0.163,438 -0.197,439 -0.355,440 -0.151,441 0.921,442 0.015,443 2.468,444 0.533,445 -0.377,446 -0.474,448 -0.841,449 -0.338,450 0.662,451 -0.171,452 2.312,453 0.325,454 -0.581,455 -0.676,457 -1.316,458 -0.519,459 12,460 0.48,461 0.606,462 0.024,463 33,464 1.32,465 16.5,466 0.66,467 16.5,468 0.66,469 21,470 0.84,471 27.6,472 0.6,473 23.561,474 0.942,475 6.382,476 0.255,477 5.684,478 0.227,479 0.192,481 0.375,485 1.053,486 1.243,487 0.789,488 0.963,489 1.213,490 0.908,491 1.045,492 0.82,493 0.74,494 0.786,495 0.66,496 0.74,497 0.944,498 1.177,499 1.123,500 1.105,501 0.825,502 0.919,503 0.812,504 1.265,505 1.156,506 1.364,507 0.684,508 1.182,509 1.306,510 1.06,511 1.301,512 1.106,513 1.409,514 1.119,515 0.587,516 1.17,517 1.379,518 1.395,519 0.685,520 1.18,521 0.879,522 1.019,523 1.119,524 1.088,525 1.006,526 0.994,527 1.101,528 1.088,529 0.782,530 0.921,531 1.117,532 1.059,533 5.5,534 0.118,535 2.667,536 2.604,537 1.748,538 1.011,539 0.517,540 0.427,541 0.328,542 0.237,543 6322,544 18069,545 2.015,546 45.7,547 7,548 9,551 5,555 1.684,556 1.852,557 3.218,558 2.647,560 1,564 78.749,565 1.712,566 3.801,567 4.588,568 4.822,569 4.866,570 4.909,571 2.615,572 4.374,573 4.615,574 3.353,575 1005.93,576 8.005,577 12006.8,579 1,581 1,582 254.084,583 1.516,584 4.555,585 0.204,586 0.009,587 0.07,588 0.064,589 0.044,590 0.031,591 0.018,592 0.015,593 0.013,594 0.012,595 0.48,596 0.17,597 1,598 1.203,599 119.185,600 -0.138,601 -0.03,602 0.048,603 0.048,604 -0.226,605 0.053,606 0.074,607 0.254,608 0.231,609 0.253,610 0.219,611 0.241,612 0.014,613 -0.037,614 0.049,615 0.084,616 0.013,617 0.089,618 0.094,619 -0.132,620 -0.034,621 -0.203,622 0.172,623 -0.177,624 -0.29,625 0.031,626 -0.189,627 -0.04,628 -0.378,629 -0.16,630 0.033,631 -0.155,632 -0.172,633 -0.213,634 0.025,635 -0.126,636 -0.029,637 -0.042,638 -0.105,639 -0.09,640 -0.044,641 -0.002,642 -0.06,643 -0.157,644 -0.057,645 -0.129,646 -0.07,647 -0.123,648 1.503,649 2.081,650 0.6,651 20.56,652 1.007,653 1.134,654 2.742,655 7.519,656 0.667,657 3.332,658 3.664,659 3.97,660 4.29,661 4.489,662 4.595,663 4.682,664 4.796,665 4.844,666 4.875,667 5.697,668 0.629,669 359.5,670 3.332,671 4.875,672 5.74,673 6.64,674 7.527,675 8.435,676 9.33,677 10.242,678 11.141,679 12.055,680 10.9,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,716 2,718 46,719 16,720 1,721 27,723 48,724 17,725 12,726 3,727 3,729 3,730 4,734 1,739 2,741 12,742 5,753 1,754 1,757 21,758 6,759 5,760 8,761 1,764 5,769 0.667,770 2,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 3,810 25,811 2,816 2,818 2,819 1,829 4.3,834 2,836 13.5,837 9.067,838 5.722,839 2.624,840 3.163,841 1.439,842 0.986,843 5.489,844 10.365,845 3.584,846 4.245,847 4.895,848 5.553,849 6.08,850 6.427,851 6.797,852 7.214,853 7.46,854 7.772,855 1,856 41,857 9.165,859 3.773,860 7.713,861 17.442,863 13.839,865 2.213,866 55.333,869 1,870 188.338,871 121.169,872 116.151,874 22,876 32.22,877 88.949,878 210.337,879 116.151,880 30.591,881 5.069,882 94.223,883 35.286,884 57.703,885 4.227,886 220.557,888 188.338,889 205.1,890 22,891 32.22,893 188.338,894 22,897 35.416,898 136.113,899 33.571,900 32.22,901 188.338,902 138.151,903 121.169,906 188.338,907 62.149,908 59.02,909 16.786,910 121.365,911 188.338,912 138.151,913 121.169,915 0.571,916 0.352,917 0.209,918 0.114,919 18,920 9,921 0.125,922 6,923 1,924 1.133,925 3.554,926 208.958,927 0.133,928 15,929 114.096,930 1,933 18.013,934 7.619,935 3.598,936 1.51,937 121.365,938 5.806,939 8.37,940 3.325,943 5.05,945 82.58,946 447.657,947 35,956 46.309,957 52.152,958 0.31,959 0.688,960 0.831,961 0.873,962 0.881,963 0.889,964 4.82,965 1.449,966 5.74,967 4.138,968 4.344,969 4.931,970 3.062,971 6.594,972 4.195,973 6.054,974 0.9,975 7.324,976 3.85,977 4.007,978 4.913,980 7.576,981 3.799,982 7.39,983 0.713,984 9.008,985 1.708,986 5.974,987 7.247,988 5.041,989 10.703,990 5.706,991 8.766,992 0.366,993 10.749,994 1.335,995 6.447,996 8.047,998 12.526,999 6.133,1000 10.174,1001 0.035,1002 12.527,1003 0.526,1004 7.903,1005 9.885,1006 7.186,1007 15.187,1008 7.543,1009 11.605,1010 -0.163,1011 14.332,1012 0.076,1013 8.755,1014 11.073,1016 17.376,1017 8.356,1018 13.056,1019 -0.377,1020 16.157,1021 -0.355,1022 10.018,1023 12.719,1024 9.348,1025 19.887,1026 9.58,1027 3.281,1028 -0.581,1029 18,1030 -0.841,1031 11.045,1032 14.093,1034 22.231,1035 10.57,1036 2.9,1037 11.672,1038 19.856,1039 -1.316,1040 12.239,1041 15.665,1042 11.511,1043 24.695,1044 11.727,1045 2.536,1046 9.142,1047 21.723,1048 4.684,1049 13.344,1050 17.126,1052 27.102,1053 12.796,1054 2.219,1055 7.951,1056 23.6,1057 3.913,1058 14.517,1059 18.671,1060 13.675,1061 29.555,1062 13.932,1063 2.007,1064 6.606,1065 25.486,1066 3.353,1067 15.658,1068 20.172,1070 31.988,1071 15.036,1072 1.832,1073 6.002,1074 27.378,1075 2.886,1076 16.827,1077 21.71,1078 15.838,1079 34.44,1080 16.168,1081 1.609,1082 5.497,1083 29.276,1084 2.788,1085 17.986,1086 23.231,1088 36.885,1089 17.289,1090 6331,1091 10844,1092 17.512,1093 30.676,1094 39.715,1095 43.036,1096 42.666,1097 39.635,1098 39.698,1099 52.317,1100 9.34,1101 117.002,1102 36.623,1103 5.508,1104 6.579,1105 6.682,1106 5.394,1107 5.281,1108 7.684,1109 5.9,1110 18.829,1111 5.143,1112 14.36,1113 1.471,1114 1.594,1115 1.58,1116 1.468,1117 1.47,1118 1.938,1119 0.346,1120 4.333,1121 1.356,1122 4.118,1123 4.158,1124 4.191,1125 4.017,1126 5.318,1127 4.019,1128 3.892,1129 3.903,1130 3.906,1131 3.815,1132 4.981,1133 3.814,1134 3.577,1135 3.654,1136 3.547,1137 3.412,1138 4.928,1139 3.403,1140 3.379,1141 3.457,1142 3.369,1143 3.2,1144 4.735,1145 3.182,1146 3.247,1147 3.314,1148 3.13,1149 2.981,1150 4.496,1151 2.991,1152 3.233,1153 3.3,1154 3.051,1155 2.949,1156 4.292,1157 2.957,1158 3.095,1159 3.216,1160 2.971,1161 2.791,1162 4.138,1163 2.814,1164 2.85,1165 2.972,1166 2.852,1167 2.697,1168 4.017,1169 2.662,1170 0.175,1171 0.17,1172 0.256,1173 0.157,1174 0.122,1175 4.712,1176 0.173,1177 4.579,1178 0.109,1179 6.924,1180 0.432,1181 4.237,1182 0.116,1183 3.281,1184 4.684,1185 2.95,1186 11.672,1187 3.143,1188 1.875,1189 1.865,1190 1.97,1191 2.015,1192 1.247,1193 1.986,1194 1.84,1195 1.805,1196 1.932,1197 1.964,1198 1.067,1199 1.964,1200 1.643,1201 1.581,1202 1.806,1203 1.837,1204 0.878,1205 1.855,1206 1.362,1207 1.307,1208 1.576,1209 1.579,1210 0.655,1211 1.584,1212 1.192,1213 1.119,1214 1.562,1215 1.523,1216 0.574,1217 1.539,1218 1.185,1219 1.11,1220 1.51,1221 1.476,1222 0.568,1223 1.499,1224 1.027,1225 0.931,1226 1.278,1227 1.382,1228 0.333,1229 1.365,1230 0.898,1231 0.777,1232 1.254,1233 1.27,1234 0.165,1235 1.284,1236 4.007,1238 5.333,1239 2.398,1240 6.862,1241 4.844,1242 8.491,1243 7.05,1244 10.173,1246 5.364,1250 11.802,1252 1.851,1254 10.669,1255 1.588,1262 28.938,1263 78.749,1264 174.859,1265 211.064,1266 221.819,1267 223.819,1268 225.819,1269 37.203,1270 7.202,1271 112.07,1272 137.37,1273 17,1274 12.57,1275 4.087,1276 3.17,1277 41.599,1278 84,1279 89,1280 0.245,1281 184.263,1282 305.49,1283 441.362,1284 11563,1286 17.974,1287 0.719,1288 0.609,1289 18.328,1290 15.237,1291 12.066,1292 0.447,1293 0.323,1294 7.826,1295 11.043,1296 7.488,1297 6.305,1298 12.475,1299 8.72,1300 10.591,1301 0.279,1302 0.173,1303 11.26,1304 6.576,1305 8.941,1306 0.172,1307 0.094,1308 9.68,1309 4.879,1310 8.066,1311 0.112,1312 0.052,1313 8.933,1314 3.767,1315 6.214,1316 0.071,1317 0.031,1318 7.254,1319 2.768,1320 0.375,1321 80.514,1322 0.239,1323 23.872,1324 0.698,1325 130,1326 392.579,1327 170.429,1328 397.89,1329 552.25,1330 374,1331 155,1332 400.411,1333 190.797,1334 422.79,1335 621.09,1336 395,1337 5.462}
{0 CHEMBL476751,1 1.783,2 14.235,3 2.375,4 5.64,5 129.02,6 8.11,7 0.444,8 4.196,9 4.315,10 3.828,11 3.7,12 5.438,13 3.685,14 4.688,15 4.846,16 4.243,17 4.1,18 6.018,19 4.048,20 4.966,21 5.15,22 4.304,23 4.266,24 6.137,25 4.183,26 5.049,27 5.247,28 4.358,29 4.291,30 6.241,31 4.208,32 5.099,33 5.296,34 4.323,35 4.264,36 6.445,37 4.186,38 5.062,39 5.282,40 4.146,41 4.196,42 6.423,43 4.104,44 4.917,45 5.133,46 4.063,47 4.124,48 6.179,49 4.021,50 4.896,51 5.132,52 3.821,53 4.009,54 6.04,55 3.894,56 0.206,57 0.92,58 11.935,59 5.223,60 32.477,61 6.28,62 0.543,63 1.428,64 22.405,65 9.355,66 92.088,67 11.843,68 0.733,69 1.734,70 35.027,71 11.969,72 109.643,73 14.578,74 0.759,75 1.834,76 38.925,77 13.157,78 119.348,79 16.368,80 1.105,81 1.863,82 43.799,83 12.024,84 166.142,85 15.221,86 1.209,87 1.682,88 41.554,89 11.975,90 206.916,91 15.723,92 0.672,93 1.511,94 33.597,95 11.705,96 112.699,97 15.801,98 0.661,99 1.414,100 31.919,101 10.318,102 95.792,103 14.141,104 97,105 51,106 0.288,107 0.675,108 0.821,109 0.853,110 0.859,111 0.859,112 3.56,113 0.943,114 -3.97,115 -3.93,116 -3.72,119 36.7,120 2,121 3,122 1,127 1,139 4,140 3,141 1,144 1,147 1,150 1,153 3,155 1,157 2,158 2,159 2,161 2,165 2,166 10,167 1,169 1,170 4,172 3,173 7,175 7,176 1,178 13,179 2,180 1,182 5,185 1,186 1,187 6,189 10,190 1,191 1,193 7,194 1,195 1,196 2,197 3,198 9,199 1,200 4,201 6,202 1,203 1,204 2,205 1,206 1,207 9,208 2,210 2,211 1,212 9,213 2,215 9,216 1,218 4,220 1,221 3,222 1,224 2,225 1,226 4,229 12,230 3,231 2,233 1,234 8,237 1,239 9,241 11,242 3,243 4,246 6,251 7,254 6,255 2,256 4,260 5,263 1,264 1,265 6,268 3,269 3,270 3,273 2072,274 21.878,275 21.878,276 21.878,277 21.878,278 21.878,279 19.407,280 26.036,281 12.765,282 22.326,283 17.762,284 17.762,285 17.762,286 17.762,287 17.762,288 13.89,289 26.897,290 6.085,291 18.537,292 4.124,293 1.726,294 0.825,295 0.625,296 0.592,297 0.592,298 4.234,303 1004,304 4.899,306 87.575,307 235.123,310 168.341,314 2.266,315 52.212,318 0.5,319 0.33,320 0.5,321 0.8,322 1,323 0.5,324 0.5,325 0.59,326 76,327 484,328 4.736,329 4.58,330 7.032,331 4.284,332 3.323,333 4.696,334 2.95,335 12.043,336 3.2,337 4.087,338 3.786,339 5.959,340 3.786,341 2.803,342 3.664,343 2.376,344 8.381,345 2.748,346 3.948,347 3.594,348 5.944,349 3.64,350 2.684,351 3.369,352 2.341,353 8.25,354 2.594,355 3.881,356 3.567,357 5.552,358 3.505,359 2.555,360 3.111,361 1.985,362 7.493,363 2.407,364 3.623,365 3.439,366 5.33,367 3.282,368 2.321,369 2.89,370 0.368,371 6.8,372 2.218,373 3.523,374 2.92,375 5.128,376 3.176,377 2.174,378 2.812,379 0.085,380 6.068,381 2.145,382 3.453,383 2.605,384 4.97,385 2.999,386 2.056,387 2.688,389 5.636,390 1.92,391 3.325,392 2.511,393 4.762,394 2.918,395 1.978,396 2.569,398 5.224,399 1.85,400 3.25,401 2.132,402 4.647,403 2.862,404 1.892,405 2.448,407 5.075,408 1.806,409 2.886,410 2.12,411 4.634,412 2.521,413 1.594,414 1.962,415 4.565,416 1.458,417 2.518,418 2.005,419 3.793,420 2.207,421 1.203,422 1.5,423 2.774,424 1.185,425 2.5,426 1.113,427 3.686,428 2,429 1,430 1.42,431 2.275,432 1,433 2.142,434 1.081,435 3.414,436 1.783,437 0.831,438 1.05,439 2.247,440 0.787,441 1.594,442 1,443 3.088,444 1.408,445 0.432,446 0.47,448 1.025,449 0.415,450 1.501,451 0.911,452 2.909,453 1.135,454 0.199,455 0.241,457 0.496,458 0.179,459 15.9,460 0.468,461 1.127,462 0.033,463 41.75,464 1.228,465 20,466 0.588,467 21.75,468 0.64,469 32.645,470 0.96,471 38.1,472 0.635,473 36.091,474 1.062,475 8.09,476 0.238,477 7.955,478 0.234,479 0.218,481 0.409,485 0.905,486 1.19,487 0.793,488 0.908,489 0.808,490 0.87,491 0.365,492 1.061,493 0.702,494 1.02,495 0.378,496 0.966,497 0.991,498 1.116,499 1.167,500 1.082,501 0.979,502 1.038,503 0.904,504 1.117,505 1.057,506 1.138,507 0.907,508 1.047,509 1.1,510 1.126,511 1.374,512 1.209,513 0.996,514 1.114,515 0.971,516 0.851,517 1.152,518 0.955,519 0.91,520 0.989,521 0.557,522 1.159,523 0.883,524 1.187,525 0.547,526 1.139,527 0.943,528 1.039,529 1.002,530 1.023,531 0.915,532 1.149,533 9,534 0.233,535 3.333,536 3.194,537 2.602,538 1.341,539 1.045,540 0.402,541 0.438,542 0.274,543 16847,544 58701,545 1.944,546 43.3,547 7,548 5,551 8,552 4,553 2,555 1.756,556 1.759,557 3.729,558 4.936,564 106.975,565 1.783,566 4.181,567 5.082,568 5.282,569 5.315,570 5.315,571 3.197,572 4.653,573 5.06,574 3.978,575 2231.56,576 8.849,577 35945.1,582 354.413,583 1.568,584 4.978,585 0.25,586 0.009,587 0.065,588 0.061,589 0.048,590 0.027,591 0.024,592 0.01,593 0.014,594 0.01,595 0.518,596 0.17,597 0.63,598 1.864,599 185.535,600 -0.176,601 0.06,602 -0.001,603 0.147,604 -0.143,605 0.102,606 0.312,607 0.092,608 0.185,609 0.062,610 0.243,611 0.052,612 -0.131,613 -0.019,614 -0.098,615 0.042,616 -0.142,617 -0.032,618 -0.041,619 -0.069,620 0.005,621 -0.036,622 -0.064,623 -0.03,624 -0.09,625 -0.044,626 -0.223,627 -0.116,628 -0.012,629 -0.15,630 0.018,631 0.133,632 -0.124,633 0.05,634 0.083,635 -0.003,636 0.159,637 -0.192,638 0.041,639 -0.151,640 0.171,641 -0.081,642 -0.131,643 -0.093,644 -0.133,645 -0.103,646 -0.116,647 -0.144,648 2.937,649 5.259,650 0.441,651 40.467,652 1.019,653 1.135,654 2.743,655 7.522,656 0.659,657 3.611,658 3.951,659 4.159,660 4.454,661 4.654,662 4.727,663 4.828,664 4.898,665 4.949,666 5.017,667 8.504,668 0.636,669 486.61,670 3.611,671 5.165,672 5.999,673 6.889,674 7.751,675 8.646,676 9.523,677 10.422,678 11.308,679 12.211,680 10,684 2,687 1,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,718 60,719 19,720 1,721 36,723 62,724 22,725 12,726 2,727 4,729 3,730 4,734 2,739 4,741 15,742 7,743 1,744 3,748 3,751 3,757 26,758 10,759 8,760 12,761 1,764 6,769 0.667,770 5,776 1,777 1,780 1,781 2,784 1,790 1,792 2,800 2,802 2,803 1,804 1,806 2,810 34,811 2,815 2,816 3,817 1,819 1,820 2,829 8.3,831 2,832 3,836 19.333,837 10.883,838 7.417,839 3.376,840 3.32,841 1.427,842 0.931,843 8.411,844 11.088,845 3.871,846 4.474,847 4.988,848 5.616,849 6.139,850 6.464,851 6.86,852 7.258,853 7.47,854 7.792,855 1,856 52,857 12.62,859 5.471,860 8.186,861 23.053,863 18.664,865 2.686,866 91.333,870 211.88,871 119.462,872 134.162,874 160.801,876 32.22,877 87.242,878 372.681,879 134.162,880 17.65,881 25.614,882 103.699,883 202.612,884 28.402,885 4.227,886 244.099,888 211.88,889 221.404,890 160.801,891 32.22,893 188.338,894 184.344,897 64.787,898 123.047,899 33.571,900 32.22,901 211.88,902 294.963,903 119.462,906 211.88,907 63.907,908 55.555,909 34.796,910 260.167,911 211.88,912 294.963,913 119.462,915 0.588,916 0.322,917 0.176,918 0.102,919 22,920 13,921 0.161,922 10,923 1,924 1.133,925 4.352,926 302.435,927 0.133,928 15,929 166.974,930 1,933 25.811,934 11.08,935 6.632,936 1.316,937 278.178,938 7.258,939 8.314,940 3.265,943 3.856,945 185.957,946 626.305,947 47,951 34.199,954 -2.891,956 61.16,957 68.109,958 0.302,959 0.708,960 0.86,961 0.894,962 0.9,963 0.9,964 5.124,965 1.978,966 6.014,967 5.636,968 4.635,969 5.162,970 3.762,971 6.832,972 4.552,973 6.351,974 1.892,975 7.582,976 5.224,977 4.369,978 5.139,979 3.08,980 7.769,981 4.255,982 7.669,983 1.594,984 9.247,985 5.075,986 6.236,987 7.368,988 5.52,989 10.869,990 6.078,991 9.019,992 1.203,993 10.968,994 4.565,995 6.711,996 8.125,997 4.995,998 12.672,999 6.525,1000 10.397,1001 1,1002 12.727,1003 2.774,1004 8.124,1005 9.922,1006 7.479,1007 15.341,1008 7.898,1009 11.798,1010 0.831,1011 14.516,1012 2.275,1013 8.953,1014 11.077,1015 6.76,1016 17.55,1017 8.698,1018 13.22,1019 0.432,1020 16.329,1021 2.247,1022 10.197,1023 12.711,1024 9.528,1025 20.083,1026 9.905,1027 3.323,1028 0.199,1029 18.163,1030 1.025,1031 11.206,1032 14.072,1033 8.481,1034 22.464,1035 10.881,1036 2.803,1037 12.043,1038 20.014,1039 0.496,1040 12.392,1041 15.643,1042 11.624,1043 24.959,1044 12.03,1045 2.684,1046 8.381,1047 21.881,1048 4.696,1049 13.49,1050 17.104,1051 10.19,1052 27.407,1053 13.093,1054 2.555,1055 8.25,1056 23.762,1057 3.664,1058 14.663,1059 18.654,1060 13.746,1061 29.894,1062 14.228,1063 2.321,1064 7.493,1065 25.653,1066 3.369,1067 15.806,1068 20.161,1069 11.895,1070 32.367,1071 15.333,1072 2.174,1073 6.8,1074 27.555,1075 3.111,1076 16.981,1077 21.705,1078 15.883,1079 34.853,1080 16.47,1081 2.056,1082 6.068,1083 29.464,1084 2.89,1085 18.147,1086 23.233,1087 13.602,1088 37.335,1089 17.598,1090 16786,1091 31468,1092 22.6,1093 39.568,1094 54.769,1095 58.352,1096 56.699,1097 54.18,1098 54.089,1099 69.778,1100 20.209,1101 156.705,1102 51.825,1103 5.662,1104 6.58,1105 6.446,1106 5.436,1107 5.323,1108 7.696,1109 5.9,1110 19.229,1111 5.2,1112 24.188,1113 1.521,1114 1.621,1115 1.575,1116 1.505,1117 1.502,1118 1.938,1119 0.561,1120 4.353,1121 1.44,1122 4.124,1123 4.163,1124 4.194,1125 4.028,1126 7.477,1127 4.027,1128 3.921,1129 3.949,1130 3.907,1131 3.855,1132 7.471,1133 3.849,1134 3.774,1135 3.809,1136 3.718,1137 3.603,1138 7.428,1139 3.614,1140 3.577,1141 3.651,1142 3.553,1143 3.409,1144 6.352,1145 3.408,1146 3.501,1147 3.523,1148 3.428,1149 3.311,1150 6.35,1151 3.31,1152 3.363,1153 3.422,1154 3.361,1155 3.146,1156 5.318,1157 3.161,1158 3.304,1159 3.33,1160 3.232,1161 3.044,1162 4.981,1163 3.078,1164 3.087,1165 3.21,1166 3.012,1167 2.774,1168 4.77,1169 2.802,1170 0.132,1171 0.127,1172 0.195,1173 0.119,1174 0.092,1175 4.736,1176 0.13,1177 4.58,1178 0.082,1179 7.032,1180 0.335,1181 4.284,1182 0.089,1183 3.323,1184 4.696,1185 2.95,1186 12.043,1187 3.2,1188 1.921,1189 1.901,1190 2.017,1191 2.017,1192 1.232,1193 2.013,1194 1.853,1195 1.818,1196 1.972,1197 2.002,1198 1.221,1199 1.989,1200 1.714,1201 1.674,1202 1.902,1203 1.909,1204 1.161,1205 1.908,1206 1.651,1207 1.592,1208 1.79,1209 1.841,1210 0.826,1211 1.854,1212 1.406,1213 1.374,1214 1.572,1215 1.655,1216 0.749,1217 1.626,1218 1.277,1219 1.236,1220 1.417,1221 1.532,1222 0.562,1223 1.518,1224 1.186,1225 1.154,1226 1.409,1227 1.475,1228 0.498,1229 1.435,1230 1,1231 0.902,1232 1.375,1233 1.374,1234 0.469,1235 1.357,1236 4.29,1238 5.624,1239 2.398,1240 7.125,1241 4.844,1242 8.715,1243 7.066,1244 10.358,1246 4.093,1250 11.817,1251 17.918,1252 -0.564,1253 2.372,1255 1.481,1256 -1.1,1262 38.157,1263 106.975,1264 250.846,1265 304.904,1266 316.904,1267 318.904,1268 318.904,1269 103.144,1270 7.768,1271 197.31,1272 222.61,1273 17,1274 12.735,1275 4.322,1276 3.585,1277 67.789,1278 178,1279 164,1280 0.187,1281 242.226,1282 421.44,1283 582.791,1284 26438,1286 24.991,1287 0.735,1288 0.573,1289 25.344,1290 19.478,1291 16.045,1292 0.446,1293 0.314,1294 10.416,1295 14.904,1296 10.077,1297 8.369,1298 16.453,1299 11.317,1300 15.383,1301 0.302,1302 0.179,1303 16.051,1304 9.11,1305 11.146,1306 0.177,1307 0.097,1308 11.887,1309 6.1,1310 9.66,1311 0.114,1312 0.054,1313 10.558,1314 4.624,1315 7.671,1316 0.074,1317 0.031,1318 8.634,1319 3.183,1320 0.304,1321 105.447,1322 0.21,1323 31.918,1324 0.489,1325 174,1326 586.947,1327 221.796,1328 585.16,1329 770.72,1330 538,1331 201,1332 533.262,1333 240.457,1334 551.899,1335 801.94,1336 518,1337 6.73}
{0 CHEMBL476945,1 1.527,2 8.72,3 4.317,4 18.633,5 106,6 7.943,7 0.75,8 3.893,9 4.023,10 3.565,11 3.521,12 5.025,13 3.47,14 4.375,15 4.537,16 3.994,17 3.937,18 5.469,19 3.857,20 4.596,21 4.779,22 4.103,23 4.102,24 5.592,25 3.984,26 4.664,27 4.855,28 4.148,29 4.121,30 5.705,31 3.982,32 4.718,33 4.927,34 3.951,35 4.059,36 5.729,37 3.909,38 4.683,39 4.94,40 3.712,41 3.933,42 5.6,43 3.803,44 4.564,45 4.792,46 3.672,47 3.9,48 5.511,49 3.783,50 4.59,51 4.832,52 3.53,53 3.829,54 5.591,55 3.697,56 0.056,57 0.696,58 8.988,59 3.784,60 11.186,61 4.814,62 0.187,63 1.112,64 16.617,65 7.029,66 21.579,67 9.121,68 0.126,69 1.357,70 23.982,71 9.301,72 16.597,73 11.37,74 0.233,75 1.468,76 27.471,77 10.465,78 27.863,79 12.756,80 0.306,81 1.555,82 33.883,83 10.073,84 34.331,85 11.682,86 0.28,87 1.368,88 27.804,89 8.986,90 36.256,91 12.053,92 0.122,93 1.199,94 21.747,95 8.538,96 21.152,97 11.621,98 0.156,99 1.218,100 20.72,101 7.904,102 32.268,103 11.194,104 18,105 41,106 0.261,107 0.618,108 0.721,109 0.798,110 0.835,111 0.85,112 3.268,113 0.96,114 -5.82,115 -5.68,116 -5.29,119 43.2,120 2,122 1,139 7,140 4,141 1,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 13,169 1,170 2,172 3,173 4,175 4,178 18,180 1,182 2,187 2,189 16,191 1,193 3,195 1,196 2,197 3,198 6,200 4,201 12,204 2,205 1,207 5,212 7,215 10,218 4,221 2,226 5,229 13,231 2,234 5,239 5,241 13,243 4,246 6,251 5,254 8,256 5,260 4,265 6,268 2,270 6,273 845,274 16.792,275 16.792,276 16.792,277 16.792,278 16.792,279 14.303,280 13.399,281 9.735,282 17.193,283 13.844,284 13.844,285 13.844,286 13.844,287 13.844,288 10.051,289 13.831,290 4.603,291 14.552,292 3.933,293 1.848,294 1.243,295 0.796,296 0.58,297 0.489,298 3.964,301 1,302 1,303 477,304 2.915,306 45.845,307 171.351,310 89.89,311 94.32,314 1.136,315 16.468,317 1,318 0.75,319 0.83,320 1,321 0.6,322 0.5,323 1,324 1,325 0.81,326 52.5,327 218,328 4.739,329 4.596,330 7.033,331 4.287,332 3.327,333 4.698,334 2.95,335 12.048,336 3.201,337 4.491,338 3.482,339 6.511,340 4.003,341 3.027,342 4.428,344 10.225,345 2.959,346 3.911,347 3.008,348 5.928,349 3.505,350 2.572,351 3.385,353 8.138,354 2.405,355 3.534,356 2.657,357 5.314,358 3.106,359 2.183,360 2.921,362 6.557,363 1.993,364 3.425,365 2.476,366 5.126,367 2.94,368 2.004,369 2.812,371 5.977,372 1.87,373 3.283,374 2.12,375 4.971,376 2.908,377 1.97,378 2.537,380 5.623,381 1.837,382 3.118,383 2.003,384 4.718,385 2.618,386 1.627,387 2.427,389 4.677,390 1.618,391 2.917,392 1.618,393 4.139,394 2.551,395 1.618,396 2,398 3.748,399 1.483,400 2.764,401 1.339,402 3.793,403 2.267,404 1.268,405 1.893,407 2.825,408 1.266,409 2.338,410 1.202,411 3.593,412 1.87,413 0.902,414 1.268,415 2.261,416 0.864,417 2.142,418 0.917,419 3.347,420 1.767,421 0.814,422 1.047,423 2.069,424 0.773,425 1.366,426 0.519,427 2.923,428 0.92,429 0.032,430 0.041,431 0.085,432 0.027,433 1.11,434 0.279,435 2.714,436 0.65,437 -0.271,438 -0.355,439 -0.74,440 -0.248,441 0.882,442 -0.156,443 2.492,444 0.449,445 -0.48,446 -0.597,448 -1.231,449 -0.442,450 0.855,451 -0.317,452 2.355,453 0.382,454 -0.612,455 -0.773,457 -1.478,458 -0.559,459 12.333,460 0.493,461 0.716,462 0.029,463 35.5,464 1.42,465 19.5,466 0.78,467 16,468 0.64,469 20.372,470 0.815,471 25.467,472 0.579,473 24.268,474 0.971,475 6.594,476 0.264,477 5.447,478 0.218,479 0.146,481 0.405,485 1.166,486 1.003,487 0.775,488 0.764,489 1.34,490 0.777,491 0.351,492 0.833,493 0.7,494 0.852,495 0.371,496 0.816,497 0.982,498 1.067,499 1.08,500 1.033,501 0.838,502 0.933,503 0.578,504 1.103,505 1.172,506 1.231,507 0.54,508 1.068,509 1.718,510 1.239,511 1.835,512 1.494,513 1.365,514 1.236,515 1.341,516 0.848,517 1.049,518 0.891,519 1.24,520 0.92,521 0.782,522 1.061,523 0.865,524 1.007,525 0.698,526 1.039,527 1.071,528 1.119,529 0.853,530 0.997,531 1.263,532 1.179,533 5,534 0.049,535 2.667,536 2.632,537 1.895,538 0.813,539 0.635,540 0.439,541 0.283,542 0.156,543 6559,544 16386,545 2.105,546 43.2,547 7,548 7,551 5,555 1.686,556 1.948,557 3.108,558 2.568,560 1,564 67.184,565 1.527,566 3.611,567 4.217,568 4.664,569 4.88,570 4.971,571 2.423,572 4.484,573 4.62,574 3.221,575 966.298,576 8.018,577 11306,579 1,581 1,582 240.215,583 1.473,584 4.565,585 0.179,586 0.008,587 0.065,588 0.061,589 0.045,590 0.024,591 0.02,592 0.014,593 0.011,594 0.01,595 0.437,596 0.17,597 0.88,598 0.795,599 117.719,600 -0.187,601 0.115,602 0.041,603 0.149,604 -0.318,605 0.109,606 0.489,607 0.215,608 0.215,609 0.135,610 0.352,611 0.133,612 -0.076,613 -0.016,614 0.051,615 0.071,616 -0.077,617 0.044,618 0.348,619 -0.055,620 0.059,621 -0.072,622 0.282,623 -0.075,624 -0.4,625 -0.109,626 -0.434,627 -0.298,628 -0.277,629 -0.283,630 -0.236,631 0.132,632 -0.098,633 0.045,634 -0.219,635 0.044,636 -0.014,637 -0.137,638 -0.06,639 -0.104,640 0.088,641 -0.055,642 -0.143,643 -0.191,644 -0.156,645 -0.193,646 -0.148,647 -0.233,648 1.483,649 2.133,650 0.76,651 17.488,652 0.995,653 1.121,654 4.59,655 21.068,656 0.705,657 3.367,658 3.738,659 4.06,660 4.419,661 4.644,662 4.736,663 4.875,664 5.011,665 5.069,666 5.081,667 5.312,668 0.659,669 349.5,670 3.367,671 4.934,672 5.814,673 6.73,674 7.629,675 8.55,676 9.457,677 10.379,678 11.29,679 12.212,680 11.4,684 2,688 1,690 2,694 4,695 7,696 2,697 1,700 5,702 21,711 2,718 44,719 21,720 2,721 28,723 47,724 19,725 16,726 3,727 7,729 4,730 6,734 2,741 16,742 3,743 1,754 1,757 19,758 4,759 5,760 6,761 1,764 5,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,803 1,804 1,806 2,810 25,811 2,819 1,820 1,836 12.833,837 8.4,838 5.361,839 2.589,840 4.363,841 1.573,842 1.047,843 4.059,844 11.974,845 3.676,846 4.391,847 5.087,848 5.786,849 6.354,850 6.715,851 7.149,852 7.606,853 7.939,854 8.192,855 0.833,856 43,857 9.185,859 3.937,860 7.607,861 17.727,863 14.874,865 2.107,866 52.667,869 1,870 164.795,871 135.723,872 116.151,876 32.22,877 103.504,878 164.795,879 116.151,880 17.65,882 132.128,883 35.286,884 30.363,885 4.227,886 197.015,888 164.795,889 219.655,891 32.22,893 164.795,897 39.172,898 146.911,899 33.571,900 32.22,901 164.795,902 116.151,903 135.723,906 164.795,907 51.739,908 83.984,909 16.786,910 99.365,911 164.795,912 116.151,913 135.723,915 0.591,916 0.353,917 0.212,918 0.117,919 22,920 10,921 0.064,922 3,923 2,924 1.211,925 3.577,926 222.368,927 0.211,928 19,929 112.096,930 1,933 16.246,934 6.246,935 2.835,936 4.003,937 99.365,938 14.71,939 8.452,940 3.392,943 3.958,945 82.58,946 416.67,947 38.5,956 43.771,957 49.318,958 0.28,959 0.661,960 0.772,961 0.854,962 0.894,963 0.91,964 4.922,965 1.618,966 5.826,967 4.677,968 4.419,969 5.078,970 2.913,971 6.703,972 4.323,973 6.176,974 1.268,975 7.422,976 3.748,977 4.111,978 5.047,980 7.727,981 3.972,982 7.517,983 0.902,984 9.121,985 2.825,986 6.066,987 7.441,988 5.027,989 10.887,990 5.89,991 8.899,992 0.814,993 10.88,994 2.261,995 6.567,996 8.248,998 12.771,999 6.36,1000 10.315,1001 0.032,1002 12.678,1003 2.069,1004 8.03,1005 10.127,1006 7.185,1007 15.459,1008 7.791,1009 11.756,1010 -0.271,1011 14.505,1012 0.085,1013 8.908,1014 11.334,1016 17.698,1017 8.641,1018 13.218,1019 -0.48,1020 16.354,1021 -0.74,1022 10.184,1023 13.003,1024 9.348,1025 20.232,1026 9.886,1027 3.327,1028 -0.612,1029 18.219,1030 -1.231,1031 11.234,1032 14.392,1034 22.612,1035 10.905,1036 3.027,1037 12.048,1038 20.097,1039 -1.478,1040 12.442,1041 15.976,1042 11.511,1043 25.099,1044 12.082,1045 2.572,1046 10.225,1047 21.986,1048 4.698,1049 13.566,1050 17.445,1052 27.535,1053 13.172,1054 2.183,1055 8.138,1056 23.883,1057 4.428,1058 14.752,1059 18.995,1060 13.675,1061 30.011,1062 14.325,1063 2.004,1064 6.557,1065 25.788,1066 3.385,1067 15.909,1068 20.499,1070 32.471,1071 15.446,1072 1.97,1073 5.977,1074 27.698,1075 2.921,1076 17.091,1077 22.036,1078 15.838,1079 34.946,1080 16.593,1081 1.627,1082 5.623,1083 29.613,1084 2.812,1085 18.263,1086 23.555,1088 37.417,1089 17.728,1090 6260,1091 10037,1092 18.611,1093 31.006,1094 43.074,1095 45.578,1096 44.518,1097 42.744,1098 42.687,1099 58.913,1100 5.9,1101 128.465,1102 40.591,1103 5.527,1104 6.596,1105 6.722,1106 5.445,1107 5.327,1108 7.698,1109 5.9,1110 19.265,1111 5.201,1112 12.33,1113 1.538,1114 1.628,1115 1.59,1116 1.527,1117 1.525,1118 2.104,1119 0.211,1120 4.588,1121 1.45,1122 4.139,1123 4.173,1124 4.218,1125 4.086,1126 5.318,1127 4.071,1128 4.041,1129 4.067,1130 4.009,1131 3.96,1132 4.981,1133 3.971,1134 3.577,1135 3.651,1136 3.612,1137 3.42,1138 4.895,1139 3.412,1140 3.465,1141 3.508,1142 3.406,1143 3.398,1144 4.733,1145 3.377,1146 3.329,1147 3.415,1148 3.275,1149 3.163,1150 4.327,1151 3.136,1152 3.088,1153 3.21,1154 3.059,1155 2.943,1156 4.19,1157 2.94,1158 3.036,1159 3.079,1160 2.956,1161 2.758,1162 4.026,1163 2.796,1164 2.874,1165 3.009,1166 2.714,1167 2.618,1168 3.826,1169 2.57,1170 0.169,1171 0.164,1172 0.251,1173 0.153,1174 0.119,1175 4.739,1176 0.168,1177 4.596,1178 0.105,1179 7.033,1180 0.43,1181 4.287,1182 0.114,1183 3.327,1184 4.698,1185 2.95,1186 12.048,1187 3.201,1188 2.066,1189 2.052,1190 2.137,1191 2.109,1192 1.292,1193 2.125,1194 1.855,1195 1.821,1196 1.973,1197 2.017,1198 1.215,1199 1.989,1200 1.656,1201 1.6,1202 1.791,1203 1.845,1204 0.826,1205 1.859,1206 1.48,1207 1.441,1208 1.653,1209 1.588,1210 0.71,1211 1.618,1212 1.282,1213 1.225,1214 1.417,1215 1.519,1216 0.547,1217 1.512,1218 1.035,1219 0.988,1220 1.404,1221 1.375,1222 0.469,1223 1.358,1224 0.999,1225 0.901,1226 1.268,1227 1.239,1228 0.326,1229 1.308,1230 0.934,1231 0.804,1232 1.231,1233 1.174,1234 0.062,1235 1.205,1236 4.043,1238 5.398,1239 2.398,1240 6.954,1241 4.844,1242 8.608,1243 7.066,1244 10.315,1246 4.289,1250 11.891,1255 1.693,1256 0.278,1262 28.982,1263 67.184,1264 158.896,1265 185.544,1266 205.195,1267 214.705,1268 218.705,1269 31.875,1270 7.611,1271 93.61,1272 118.91,1273 23,1274 12.721,1275 4.459,1276 3.524,1277 35.687,1278 79,1279 72,1280 0.223,1281 182.207,1282 293.97,1283 436.346,1284 20393,1286 17.552,1287 0.702,1288 0.596,1289 17.905,1290 14.893,1291 12.042,1292 0.43,1293 0.32,1294 8.15,1295 11.339,1296 7.808,1297 6.533,1298 12.45,1299 8.961,1300 11.344,1301 0.277,1302 0.179,1303 11.986,1304 7.345,1305 9.373,1306 0.164,1307 0.094,1308 10.149,1309 5.341,1310 8.829,1311 0.108,1312 0.054,1313 9.846,1314 4.424,1315 7.073,1316 0.069,1317 0.03,1318 8.104,1319 3.091,1320 0.338,1321 78.135,1322 0.232,1323 23.61,1324 0.654,1325 138,1326 333.108,1327 172.672,1328 360.28,1329 514.19,1330 338,1331 167,1332 387.32,1333 198.377,1334 413.577,1335 612.83,1336 391,1337 6.041}
{0 CHEMBL477150,1 1.527,2 9.44,3 4.317,4 18.633,5 106,6 7.943,7 0.75,8 3.893,9 4.023,10 3.565,11 3.521,12 5.024,13 3.47,14 4.375,15 4.537,16 3.994,17 3.937,18 5.472,19 3.857,20 4.596,21 4.779,22 4.063,23 4.089,24 5.595,25 3.971,26 4.661,27 4.861,28 4.088,29 4.082,30 5.695,31 3.946,32 4.699,33 4.917,34 3.933,35 4.023,36 5.7,37 3.865,38 4.635,39 4.894,40 3.674,41 3.886,42 5.546,43 3.734,44 4.479,45 4.709,46 3.561,47 3.795,48 5.436,49 3.669,50 4.496,51 4.753,52 3.434,53 3.717,54 5.469,55 3.591,56 0.056,57 0.696,58 8.988,59 3.784,60 11.075,61 4.814,62 0.187,63 1.112,64 16.617,65 7.029,66 21.351,67 9.121,68 0.127,69 1.353,70 24.323,71 9.319,72 16.945,73 11.377,74 0.231,75 1.441,76 26.24,77 10.091,78 29.037,79 12.677,80 0.311,81 1.514,82 32.606,83 9.682,84 34.891,85 11.394,86 0.274,87 1.309,88 28.446,89 9.068,90 35.56,91 11.75,92 0.113,93 1.104,94 21.236,95 8.076,96 22.017,97 10.764,98 0.177,99 1.104,100 19.615,101 7.075,102 31.763,103 10.055,104 18,105 41,106 0.261,107 0.618,108 0.724,109 0.809,110 0.827,111 0.843,112 3.268,113 0.959,114 -5.82,115 -5.68,116 -5.29,119 43.2,120 2,122 1,139 7,140 4,141 1,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 13,169 1,170 2,172 3,173 4,175 4,178 19,180 1,182 2,187 2,189 16,191 1,193 3,195 1,196 2,197 3,198 6,200 4,201 10,204 2,205 1,207 5,212 6,215 9,218 4,221 2,226 4,229 11,231 2,234 4,239 6,241 10,243 4,246 4,251 5,254 9,256 4,260 4,265 4,268 6,270 4,273 865,274 16.74,275 16.74,276 16.74,277 16.74,278 16.74,279 14.27,280 13.399,281 9.686,282 17.152,283 13.85,284 13.85,285 13.85,286 13.85,287 13.85,288 10.067,289 13.831,290 4.613,291 14.573,292 3.933,293 1.848,294 1.225,295 0.733,296 0.625,297 0.534,298 3.964,301 1,302 1,303 518,304 2.915,306 47.592,307 180.192,310 92.958,311 99.43,314 1.302,315 16.523,317 1,318 0.75,319 0.83,320 1,321 0.6,322 0.5,323 1,324 1,325 0.81,326 52.5,327 236,328 4.737,329 4.581,330 7.032,331 4.285,332 3.323,333 4.697,334 2.95,335 12.043,336 3.2,337 4.406,338 3.446,339 6.186,340 3.911,341 2.924,342 4.336,344 9.24,345 2.893,346 3.928,347 2.964,348 5.938,349 3.516,350 2.59,351 3.401,353 8.201,354 2.408,355 3.631,356 2.755,357 5.371,358 3.214,359 2.294,360 3.037,362 6.859,363 2.082,364 3.438,365 2.548,366 5.126,367 2.957,368 2.027,369 2.822,371 6.045,372 1.879,373 3.284,374 2.12,375 4.969,376 2.912,377 1.974,378 2.538,380 5.627,381 1.84,382 3.118,383 2.005,384 4.684,385 2.618,386 1.627,387 2.427,389 4.642,390 1.618,391 2.944,392 1.618,393 4.408,394 2.553,395 1.618,396 2.106,398 4.333,399 1.491,400 2.845,401 1.461,402 3.793,403 2.377,404 1.388,405 1.947,407 2.998,408 1.367,409 2.186,410 0.956,411 3.616,412 1.785,413 0.832,414 1.056,415 2.247,416 0.789,417 2.142,418 0.879,419 3.195,420 1.687,421 0.698,422 1.028,423 1.622,424 0.688,425 1.355,426 0.55,427 2.995,428 0.913,429 0.035,430 0.044,431 0.098,432 0.03,433 1.107,434 0.311,435 2.717,436 0.649,437 -0.272,438 -0.356,439 -0.743,440 -0.249,441 0.882,442 -0.156,443 2.5,444 0.448,445 -0.482,446 -0.599,448 -1.229,449 -0.444,450 0.855,451 -0.317,452 2.35,453 0.382,454 -0.612,455 -0.776,457 -1.518,458 -0.56,459 12.333,460 0.493,461 0.733,462 0.029,463 35.5,464 1.42,465 19.5,466 0.78,467 16,468 0.64,469 20.137,470 0.805,471 25.467,472 0.579,473 24.041,474 0.962,475 6.578,476 0.263,477 5.446,478 0.218,479 0.146,481 0.405,485 1.166,486 1.003,487 0.775,488 0.764,489 1.344,490 0.777,491 0.351,492 0.833,493 0.7,494 0.852,495 0.357,496 0.816,497 0.999,498 1.111,499 1.156,500 1.109,501 0.856,502 0.987,503 0.56,504 1.102,505 1.056,506 1.175,507 0.557,508 1.075,509 1.739,510 1.169,511 1.72,512 1.379,513 1.39,514 1.185,515 1.346,516 0.859,517 1.199,518 0.982,519 1.255,520 0.946,521 0.803,522 1.135,523 0.995,524 1.119,525 0.741,526 1.087,527 1.182,528 0.965,529 0.804,530 0.848,531 1.359,532 1.031,533 5.5,534 0.102,535 2.444,536 2.507,537 2.015,538 0.862,539 0.597,540 0.356,541 0.324,542 0.175,543 6899,544 17170,545 2.105,546 43.2,547 7,548 7,551 5,555 1.683,556 1.948,557 3.209,558 2.568,560 1,564 67.184,565 1.527,566 3.611,567 4.234,568 4.726,569 4.834,570 4.925,571 2.615,572 4.484,573 4.618,574 3.335,575 1000.43,576 7.999,577 11759,579 1,581 1,582 240.215,583 1.473,584 4.565,585 0.196,586 0.008,587 0.06,588 0.06,589 0.05,590 0.027,591 0.021,592 0.013,593 0.013,594 0.009,595 0.458,596 0.17,597 0.88,598 0.795,599 118.73,600 -0.187,601 0.115,602 0.041,603 0.149,604 -0.322,605 0.109,606 0.489,607 0.215,608 0.215,609 0.135,610 0.366,611 0.133,612 -0.094,613 -0.06,614 -0.026,615 -0.006,616 -0.091,617 -0.011,618 0.361,619 -0.079,620 0.068,621 -0.086,622 0.277,623 -0.09,624 -0.396,625 -0.05,626 -0.348,627 -0.207,628 -0.278,629 -0.233,630 -0.238,631 0.131,632 -0.113,633 0.038,634 -0.206,635 0.038,636 -0.009,637 -0.203,638 -0.104,639 -0.167,640 0.085,641 -0.095,642 -0.176,643 -0.034,644 -0.086,645 -0.046,646 -0.19,647 -0.084,648 1.483,649 2.116,650 0.76,651 18.992,652 0.995,653 1.121,654 4.59,655 21.068,656 0.705,657 3.367,658 3.738,659 4.043,660 4.394,661 4.625,662 4.71,663 4.828,664 4.963,665 5.043,666 5.075,667 5.602,668 0.659,669 349.5,670 3.367,671 4.934,672 5.808,673 6.72,674 7.613,675 8.53,676 9.431,677 10.349,678 11.255,679 12.173,680 11.4,684 2,688 1,690 2,694 4,695 7,696 2,697 1,700 5,702 21,711 2,718 44,719 21,720 2,721 28,723 47,724 19,725 16,726 3,727 7,729 4,730 6,734 2,741 16,742 3,743 1,754 1,757 19,758 4,759 5,760 6,761 1,764 5,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,803 1,804 1,806 2,810 25,811 2,819 1,820 1,836 12.833,837 8.4,838 5.333,839 2.582,840 4.325,841 1.568,842 1.047,843 4.059,844 11.935,845 3.676,846 4.391,847 5.073,848 5.768,849 6.345,850 6.702,851 7.121,852 7.575,853 7.914,854 8.191,855 1,856 42,857 9.185,859 3.936,860 7.607,861 17.727,863 14.869,865 2.107,866 52.667,869 1,870 164.795,871 135.723,872 116.151,876 32.22,877 103.504,878 164.795,879 116.151,880 17.65,882 132.128,883 35.286,884 30.363,885 4.227,886 197.015,888 164.795,889 219.655,891 32.22,893 164.795,897 39.172,898 146.911,899 33.571,900 32.22,901 164.795,902 116.151,903 135.723,906 164.795,907 51.739,908 83.984,909 16.786,910 99.365,911 164.795,912 116.151,913 135.723,915 0.593,916 0.349,917 0.206,918 0.115,919 22,920 10,921 0.064,922 3,923 2,924 1.211,925 3.627,926 219.197,927 0.211,928 19,929 114.096,930 1,933 16.246,934 6.246,935 2.942,936 4.012,937 99.365,938 14.809,939 8.431,940 3.376,943 3.931,945 82.58,946 416.67,947 38.5,956 43.771,957 49.318,958 0.28,959 0.661,960 0.776,961 0.866,962 0.885,963 0.902,964 4.922,965 1.618,966 5.82,967 4.642,968 4.419,969 5.078,970 2.913,971 6.683,972 4.323,973 6.176,974 1.388,975 7.408,976 4.333,977 4.111,978 5.047,980 7.67,981 3.972,982 7.515,983 0.832,984 9.095,985 2.998,986 6.057,987 7.433,988 5.027,989 10.817,990 5.882,991 8.893,992 0.698,993 10.84,994 2.247,995 6.538,996 8.221,998 12.669,999 6.335,1000 10.302,1001 0.035,1002 12.625,1003 1.622,1004 7.998,1005 10.1,1006 7.185,1007 15.353,1008 7.764,1009 11.736,1010 -0.272,1011 14.438,1012 0.098,1013 8.856,1014 11.286,1016 17.58,1017 8.598,1018 13.19,1019 -0.482,1020 16.273,1021 -0.743,1022 10.129,1023 12.955,1024 9.348,1025 20.116,1026 9.842,1027 3.323,1028 -0.612,1029 18.127,1030 -1.229,1031 11.164,1032 14.33,1034 22.498,1035 10.849,1036 2.924,1037 12.043,1038 19.996,1039 -1.518,1040 12.369,1041 15.912,1042 11.511,1043 24.991,1044 12.024,1045 2.59,1046 9.24,1047 21.877,1048 4.697,1049 13.485,1050 17.372,1052 27.435,1053 13.108,1054 2.294,1055 8.201,1056 23.768,1057 4.336,1058 14.669,1059 18.92,1060 13.675,1061 29.918,1062 14.259,1063 2.027,1064 6.859,1065 25.668,1066 3.401,1067 15.822,1068 20.418,1070 32.387,1071 15.377,1072 1.974,1073 6.045,1074 27.575,1075 3.037,1076 17.003,1077 21.954,1078 15.838,1079 34.87,1080 16.523,1081 1.627,1082 5.627,1083 29.489,1084 2.822,1085 18.174,1086 23.47,1088 37.348,1089 17.657,1090 6545,1091 10470,1092 18.611,1093 31.006,1094 43.068,1095 45.533,1096 44.342,1097 42.729,1098 42.66,1099 58.876,1100 5.9,1101 127.907,1102 40.566,1103 5.52,1104 6.581,1105 6.72,1106 5.439,1107 5.323,1108 7.697,1109 5.9,1110 19.231,1111 5.2,1112 12.401,1113 1.538,1114 1.626,1115 1.584,1116 1.526,1117 1.524,1118 2.103,1119 0.211,1120 4.568,1121 1.449,1122 4.136,1123 4.171,1124 4.208,1125 4.078,1126 5.318,1127 4.065,1128 4.046,1129 4.071,1130 4.009,1131 3.967,1132 4.981,1133 3.977,1134 3.578,1135 3.652,1136 3.663,1137 3.449,1138 4.898,1139 3.423,1140 3.473,1141 3.511,1142 3.416,1143 3.402,1144 4.736,1145 3.386,1146 3.31,1147 3.397,1148 3.218,1149 3.103,1150 4.307,1151 3.102,1152 3.087,1153 3.21,1154 2.994,1155 2.954,1156 4.187,1157 2.944,1158 3.043,1159 3.093,1160 2.954,1161 2.767,1162 4.016,1163 2.799,1164 2.874,1165 3.009,1166 2.846,1167 2.657,1168 3.852,1169 2.614,1170 0.169,1171 0.164,1172 0.251,1173 0.153,1174 0.119,1175 4.737,1176 0.168,1177 4.581,1178 0.105,1179 7.032,1180 0.43,1181 4.285,1182 0.114,1183 3.323,1184 4.697,1185 2.95,1186 12.043,1187 3.2,1188 2.067,1189 2.05,1190 2.143,1191 2.112,1192 1.285,1193 2.128,1194 1.855,1195 1.822,1196 1.973,1197 2.017,1198 1.217,1199 1.989,1200 1.661,1201 1.607,1202 1.791,1203 1.847,1204 0.826,1205 1.86,1206 1.48,1207 1.445,1208 1.622,1209 1.582,1210 0.73,1211 1.613,1212 1.256,1213 1.192,1214 1.417,1215 1.499,1216 0.513,1217 1.491,1218 1.061,1219 1.013,1220 1.398,1221 1.374,1222 0.469,1223 1.357,1224 1,1225 0.901,1226 1.281,1227 1.239,1228 0.355,1229 1.308,1230 0.934,1231 0.804,1232 1.265,1233 1.194,1234 0.038,1235 1.228,1236 4.043,1238 5.398,1239 2.398,1240 6.948,1241 4.844,1242 8.594,1243 7.066,1244 10.29,1246 4.283,1250 11.862,1255 1.678,1256 0.284,1262 28.982,1263 67.184,1264 158.896,1265 186.299,1266 207.95,1267 212.705,1268 216.705,1269 31.661,1270 7.611,1271 93.61,1272 118.91,1273 23,1274 12.685,1275 4.459,1276 3.524,1277 35.828,1278 83,1279 83,1280 0.212,1281 182.207,1282 293.97,1283 436.346,1284 20487,1286 17.552,1287 0.702,1288 0.596,1289 17.905,1290 14.893,1291 12.025,1292 0.429,1293 0.32,1294 8.144,1295 11.308,1296 7.799,1297 6.526,1298 12.433,1299 8.955,1300 11.428,1301 0.279,1302 0.181,1303 12.097,1304 7.408,1305 9.329,1306 0.167,1307 0.093,1308 10.052,1309 5.234,1310 8.689,1311 0.109,1312 0.053,1313 9.624,1314 4.274,1315 7.002,1316 0.069,1317 0.03,1318 7.998,1319 3.032,1320 0.325,1321 78.034,1322 0.232,1323 23.856,1324 0.605,1325 138,1326 333.108,1327 172.672,1328 360.475,1329 513.61,1330 338,1331 166,1332 386.32,1333 195.707,1334 412.858,1335 609.69,1336 390,1337 5.678}
{0 CHEMBL477151,1 1.805,2 8.652,3 4.737,4 22.439,5 99.16,6 9.693,7 0.64,8 3.758,9 3.878,10 3.581,11 3.393,12 4.935,13 3.341,14 4.233,15 4.387,16 4.05,17 3.81,18 5.409,19 3.727,20 4.445,21 4.603,22 4.236,23 3.973,24 5.584,25 3.846,26 4.482,27 4.662,28 4.162,29 3.937,30 5.609,31 3.799,32 4.53,33 4.732,34 3.965,35 3.871,36 5.606,37 3.729,38 4.527,39 4.781,40 3.716,41 3.768,42 5.508,43 3.637,44 4.392,45 4.614,46 3.731,47 3.711,48 5.431,49 3.57,50 4.347,51 4.596,52 3.673,53 3.555,54 5.456,55 3.397,56 0.091,57 0.601,58 5.28,59 3.024,60 11.712,61 3.492,62 0.209,63 0.935,64 12.214,65 5.868,66 22.011,67 7.227,68 0.298,69 1.098,70 25.512,71 8.114,72 27.873,73 8.758,74 0.325,75 1.158,76 26.19,77 8.63,78 32.101,79 9.773,80 0.399,81 1.243,82 27.897,83 8.021,84 34.167,85 8.042,86 0.398,87 1.099,88 23.946,89 7.819,90 42.042,91 9.689,92 0.243,93 0.904,94 21.067,95 7.644,96 27.017,97 9.696,98 0.332,99 0.788,100 21.631,101 6.715,102 41.586,103 8.509,104 38,105 37,106 0.323,107 0.7,108 0.778,109 0.829,110 0.838,111 0.838,112 3.189,113 1.021,114 -5.5,115 -5.38,116 -5.02,119 39.5,120 2,122 1,139 3,140 2,141 3,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 5,169 1,170 2,172 3,173 4,175 4,178 10,180 1,182 2,187 2,189 10,191 1,193 3,195 1,196 2,197 3,198 6,200 4,201 6,204 2,205 1,207 5,212 5,215 6,218 4,221 2,226 3,229 7,231 2,234 3,239 5,241 5,243 4,246 2,251 3,254 4,256 3,260 2,265 2,268 2,270 2,273 698,274 14.878,275 14.878,276 14.878,277 14.878,278 14.878,279 12.846,280 15.566,281 8.446,282 15.524,283 12.313,284 12.313,285 12.313,286 12.313,287 12.313,288 9.213,289 15.203,290 4.001,291 13.554,292 3.443,293 1.336,294 0.902,295 0.619,296 0.566,297 0.566,298 3.861,299 2,301 1,302 1,303 420,304 2.915,306 46.438,307 129.328,310 90.36,314 1.176,315 21.725,317 1,318 0.75,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.84,326 49.167,327 199,328 4.736,329 4.582,330 7.032,331 4.284,332 3.323,333 4.696,334 2.95,335 12.043,336 3.2,337 4.219,338 3.468,339 5.983,340 3.721,341 2.833,342 3.873,344 8.461,345 2.467,346 3.912,347 3.252,348 5.908,349 3.502,350 2.577,351 3.381,353 8.062,354 2.39,355 3.542,356 2.88,357 5.343,358 3.116,359 2.243,360 2.878,362 6.683,363 1.922,364 3.419,365 2.56,366 5.111,367 2.935,368 2.014,369 2.778,371 5.993,372 1.848,373 3.276,374 2.143,375 4.968,376 2.904,377 1.972,378 2.518,380 5.617,381 1.764,382 2.888,383 2.12,384 4.674,385 2.517,386 1.6,387 1.968,389 4.587,390 1.442,391 2.82,392 2.005,393 4.041,394 2.306,395 1.414,396 1.945,398 3.522,399 1.197,400 2.142,401 1.069,402 3.793,403 1.782,404 0.831,405 1.05,407 2.247,408 0.787,409 1.546,410 0.91,411 3.059,412 1.068,413 0.289,414 0.349,415 0.683,416 0.195,417 1.16,418 0.53,419 2.72,420 0.665,421 -0.171,422 -0.212,423 -0.459,424 -0.122,425 0.975,426 0.305,427 2.507,428 0.565,429 -0.299,430 -0.375,431 -0.823,432 -0.263,433 0.805,434 -0.156,435 2.382,436 0.384,437 -0.51,438 -0.618,439 -1.261,440 -0.442,441 0.643,442 -0.231,443 2.342,444 0.191,445 -0.692,446 -0.856,448 -1.824,449 -0.503,450 0.241,451 -0.318,452 2.082,454 -1,455 -1,457 -2,458 -0.806,459 11.762,460 0.511,461 0.809,462 0.035,463 30.5,464 1.326,465 15.5,466 0.674,467 15,468 0.652,469 20.767,470 0.903,471 24.238,472 0.638,473 20.045,474 0.872,475 5.533,476 0.241,477 5.33,478 0.232,479 0.274,481 0.425,485 0.915,486 1.073,487 0.589,488 0.662,489 1.094,490 0.7,491 0.446,492 0.854,493 0.563,494 0.73,495 0.376,496 0.707,497 0.968,498 1.167,499 0.993,500 1.064,501 0.841,502 0.944,503 0.666,504 1.141,505 0.885,506 1.131,507 0.63,508 1.044,509 1.224,510 1.249,511 1.063,512 1.263,513 1.126,514 1.185,515 0.857,516 0.836,517 0.662,518 0.783,519 0.947,520 0.902,521 0.671,522 1.129,523 0.77,524 1.015,525 0.728,526 1.08,527 1.118,528 0.971,529 0.898,530 0.829,531 1.33,532 1.027,533 6,534 0.049,535 2.667,536 2.632,537 1.953,538 0.889,539 0.618,540 0.415,541 0.305,542 0.137,543 4936,544 17719,545 1.991,546 39.5,547 7,548 3,551 5,555 1.662,556 1.792,557 3.086,558 2.761,564 68.605,565 1.805,566 3.912,567 4.346,568 4.629,569 4.682,570 4.682,571 2.459,572 4.089,573 4.496,574 3.205,575 810.784,576 7.767,577 8962.57,579 1,582 199.421,583 1.55,584 4.413,585 0.24,586 0.01,587 0.072,588 0.069,589 0.054,590 0.031,591 0.024,592 0.017,593 0.016,594 0.011,595 0.544,596 0.17,597 0.88,598 0.899,599 105.553,600 -0.195,601 0.093,602 -0.005,603 0.149,604 -0.299,605 0.108,606 0.281,607 0.225,608 0.169,609 0.19,610 0.302,611 0.2,612 -0.065,613 -0.093,614 0.019,615 0.015,616 -0.027,617 0.002,618 0.161,619 -0.081,620 0.037,621 -0.074,622 0.167,623 -0.086,624 -0.342,625 -0.086,626 -0.221,627 -0.214,628 -0.274,629 -0.288,630 -0.078,631 0.135,632 0.027,633 0.094,634 -0.123,635 0.071,636 0.09,637 -0.24,638 0.034,639 -0.112,640 0.075,641 -0.069,642 -0.069,643 -0.115,644 0.044,645 0.026,646 -0.145,647 -0.028,648 1.516,649 2.047,650 0.652,651 16.798,652 1.014,653 1.126,654 4.273,655 18.261,656 0.736,657 3.258,658 3.638,659 3.912,660 4.234,661 4.443,662 4.533,663 4.615,664 4.718,665 4.727,666 4.7,667 5.179,668 0.687,669 368.32,670 3.258,671 4.828,672 5.694,673 6.605,674 7.494,675 8.41,676 9.309,677 10.227,678 11.131,679 12.051,680 13.2,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,717 2,718 38,719 16,720 1,721 25,723 40,724 15,725 12,726 3,727 3,729 3,730 4,731 2,734 2,741 12,742 3,743 1,757 15,758 4,759 5,760 8,761 3,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 2,807 2,810 23,811 2,819 1,820 1,828 2,836 12.833,837 7.352,838 4.917,839 2.153,840 3.135,841 1.446,842 1.009,843 4.646,844 10.158,845 3.526,846 4.23,847 4.865,848 5.527,849 6.061,850 6.4,851 6.767,852 7.193,853 7.417,854 7.707,855 0.833,856 38,857 8.418,859 3.579,860 7.8,861 15.885,863 13.038,865 2.3,866 52.889,870 117.711,871 99.673,872 116.151,873 78.297,876 32.22,877 67.454,878 196.008,879 116.151,880 17.65,882 94.223,883 35.286,884 32.218,885 4.227,886 149.931,887 78.297,888 117.711,889 183.605,891 110.517,893 117.711,897 39.172,898 110.862,899 111.868,900 32.22,901 117.711,902 116.151,903 177.971,906 117.711,907 53.594,908 46.079,909 16.786,910 177.663,911 117.711,912 116.151,913 177.971,915 0.6,916 0.35,917 0.194,918 0.108,919 19,920 10,921 0.075,922 3,923 1,924 1.133,925 3.338,926 189.859,927 0.133,928 15,929 102.042,930 1,933 16.706,934 6.396,935 3.238,936 1.457,937 99.365,938 5.515,939 8.312,940 3.286,943 4.55,945 82.58,946 411.833,947 33,956 38.534,957 42.791,958 0.344,959 0.745,960 0.828,961 0.882,962 0.892,963 0.892,964 4.787,965 1.414,966 5.727,967 4.587,968 4.317,969 4.916,970 2.913,971 6.594,972 4.137,973 6.05,974 0.831,975 7.327,976 3.522,977 4.111,978 4.956,980 7.6,981 3.826,982 7.395,983 0.289,984 9.023,985 2.247,986 5.969,987 7.243,988 5.027,989 10.734,990 5.658,991 8.776,992 -0.171,993 10.774,994 0.683,995 6.509,996 8.059,998 12.586,999 6.126,1000 10.186,1001 -0.299,1002 12.561,1003 -0.459,1004 7.92,1005 9.886,1006 7.185,1007 15.277,1008 7.517,1009 11.618,1010 -0.51,1011 14.375,1012 -0.823,1013 8.807,1014 11.08,1016 17.51,1017 8.361,1018 13.07,1019 -0.692,1020 16.21,1021 -1.261,1022 10.057,1023 12.725,1024 9.348,1025 20.056,1026 9.589,1027 3.323,1028 -1,1029 18.064,1030 -1.824,1031 11.106,1032 14.103,1034 22.447,1035 10.609,1036 2.833,1037 12.043,1038 19.932,1039 -2,1040 12.302,1041 15.676,1042 11.511,1043 24.948,1044 11.783,1045 2.577,1046 8.461,1047 21.814,1048 4.696,1049 13.426,1050 17.141,1052 27.4,1053 12.882,1054 2.243,1055 8.062,1056 23.707,1057 3.873,1058 14.608,1059 18.69,1060 13.675,1061 29.89,1062 14.04,1063 2.014,1064 6.683,1065 25.609,1066 3.381,1067 15.766,1068 20.195,1070 32.364,1071 15.173,1072 1.972,1073 5.993,1074 27.519,1075 2.878,1076 16.948,1077 21.736,1078 15.838,1079 34.851,1080 16.329,1081 1.6,1082 5.617,1083 29.435,1084 2.778,1085 18.124,1086 23.261,1088 37.334,1089 17.478,1090 4934,1091 9498,1092 15.838,1093 27.96,1094 38.6,1095 41.798,1096 40.622,1097 38.348,1098 38.195,1099 50.871,1100 5.9,1101 115.796,1102 34.424,1103 5.52,1104 6.582,1105 6.341,1106 5.44,1107 5.323,1108 7.696,1109 5.9,1110 19.23,1111 5.2,1112 14.442,1113 1.544,1114 1.672,1115 1.625,1116 1.534,1117 1.528,1118 2.035,1119 0.236,1120 4.632,1121 1.377,1122 4.121,1123 4.16,1124 4.224,1125 4.026,1126 5.318,1127 4.025,1128 3.875,1129 3.887,1130 4.067,1131 3.843,1132 5.038,1133 3.828,1134 3.576,1135 3.65,1136 3.67,1137 3.409,1138 4.981,1139 3.407,1140 3.335,1141 3.421,1142 3.412,1143 3.173,1144 4.741,1145 3.138,1146 3.087,1147 3.21,1148 3.394,1149 2.873,1150 4.49,1151 2.843,1152 2.903,1153 3.009,1154 3.166,1155 2.788,1156 4.245,1157 2.787,1158 2.874,1159 2.922,1160 2.958,1161 2.747,1162 4.178,1163 2.756,1164 2.873,1165 2.901,1166 2.815,1167 2.618,1168 4.006,1169 2.57,1170 0.189,1171 0.183,1172 0.281,1173 0.171,1174 0.133,1175 4.736,1176 0.188,1177 4.582,1178 0.118,1179 7.032,1180 0.482,1181 4.284,1182 0.128,1183 3.323,1184 4.696,1185 2.95,1186 12.043,1187 3.2,1188 1.878,1189 1.867,1190 1.974,1191 2.017,1192 1.224,1193 1.99,1194 1.845,1195 1.813,1196 1.891,1197 1.911,1198 1.057,1199 1.935,1200 1.647,1201 1.588,1202 1.79,1203 1.834,1204 0.825,1205 1.848,1206 1.279,1207 1.223,1208 1.417,1209 1.524,1210 0.54,1211 1.513,1212 1,1213 0.903,1214 1.4,1215 1.374,1216 0.469,1217 1.357,1218 0.934,1219 0.824,1220 1.266,1221 1.239,1222 0.174,1223 1.308,1224 0.871,1225 0.812,1226 1.108,1227 1.134,1228 0.025,1229 1.147,1230 0.85,1231 0.804,1232 1.092,1233 1.017,1235 1.06,1236 3.932,1238 5.293,1239 2.398,1240 6.838,1241 4.844,1242 8.476,1243 7.066,1244 10.164,1246 4.189,1247 12.063,1250 11.736,1255 1.543,1256 0.239,1262 26.11,1263 68.605,1264 148.65,1265 165.157,1266 175.911,1267 177.911,1268 177.911,1269 36.382,1270 7.023,1271 93.61,1272 118.91,1273 17,1274 12.562,1275 4.087,1276 3.17,1277 36.647,1278 70,1279 74,1280 0.261,1281 173.752,1282 283.73,1283 415.714,1284 9082,1285 5.3,1286 16.723,1287 0.727,1288 0.646,1289 18.077,1290 14.851,1291 10.863,1292 0.435,1293 0.34,1294 7.005,1295 9.577,1296 6.626,1297 5.519,1298 11.849,1299 8.512,1300 10.578,1301 0.286,1302 0.197,1303 11.988,1304 7.289,1305 8.388,1306 0.171,1307 0.105,1308 10.025,1309 5.143,1310 7.377,1311 0.108,1312 0.058,1313 8.78,1314 3.937,1315 5.761,1316 0.069,1317 0.033,1318 7.207,1319 2.775,1320 0.395,1321 77.414,1322 0.251,1323 22.045,1324 0.762,1325 124,1326 351.515,1327 189.711,1328 432.209,1329 578.15,1330 400,1331 148,1332 377.046,1333 204.937,1334 419.978,1335 620.17,1336 395,1337 4.87}
{0 CHEMBL477566,1 1.712,2 9.44,3 3.375,4 11.393,5 102.476,6 7.815,7 0.593,8 3.937,9 4.062,10 3.579,11 3.447,12 5.094,13 3.418,14 4.431,15 4.606,16 3.982,17 3.827,18 5.532,19 3.775,20 4.557,21 4.715,22 4.093,23 3.995,24 5.636,25 3.912,26 4.688,27 4.864,28 4.16,29 4.056,30 5.778,31 3.956,32 4.82,33 5.032,34 3.994,35 4.058,36 5.83,37 3.92,38 4.771,39 5.034,40 3.725,41 3.952,42 5.668,43 3.787,44 4.614,45 4.86,46 3.621,47 3.793,48 5.547,49 3.662,50 4.531,51 4.771,52 3.512,53 3.616,54 5.569,55 3.536,56 0.075,57 0.714,58 10.018,59 4.076,60 11.889,61 5.118,62 0.337,63 1.081,64 19.87,65 7.226,66 29.695,67 8.94,68 0.296,69 1.279,70 24.097,71 8.635,72 19.807,73 10.325,74 0.316,75 1.42,76 27.649,77 9.929,78 30.473,79 12.236,80 0.522,81 1.528,82 36.308,83 9.905,84 43.806,85 12.571,86 0.414,87 1.356,88 33.391,89 10.049,90 41.529,91 13.796,92 0.272,93 1.127,94 27.667,95 9.113,96 28.64,97 12.227,98 0.33,99 1.003,100 20.925,101 6.398,102 37.112,103 9.298,104 46,105 39,106 0.295,107 0.647,108 0.757,109 0.798,110 0.805,111 0.813,112 3.268,113 0.956,114 -3.97,115 -3.93,116 -3.72,119 37,120 2,122 1,124 2,139 3,140 2,141 3,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 5,169 1,170 4,172 3,173 4,175 4,178 8,180 1,181 1,182 5,187 2,189 6,191 1,193 5,195 1,196 2,197 3,198 6,200 4,201 4,204 2,205 1,207 6,212 5,215 5,218 4,221 3,224 1,226 2,229 6,231 2,234 6,237 1,239 4,241 2,243 4,245 1,246 5,251 3,256 3,259 2,260 2,262 1,263 1,265 1,270 1,273 881,274 16.618,275 16.618,276 16.618,277 16.618,278 16.618,279 14.692,280 20.631,281 9.487,282 17.375,283 13.188,284 13.188,285 13.188,286 13.188,287 13.188,288 10.067,289 22.398,290 4.301,291 14.272,292 3.812,293 1.766,294 1.126,295 0.892,296 0.848,297 0.805,298 3.943,300 1,301 1,302 1,303 495,304 3.24,306 52.482,307 145.811,310 102.154,314 1.302,315 21.776,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54.5,327 236,328 4.736,329 4.582,330 7.032,331 4.284,332 3.323,333 4.696,334 2.95,335 12.043,336 3.2,337 4.267,338 3.456,339 6.169,340 3.837,341 2.9,342 3.913,343 0.86,344 9.142,345 2.708,346 3.917,347 3.152,348 5.937,349 3.512,350 2.586,351 3.384,352 0.86,353 8.195,354 2.406,355 3.567,356 2.871,357 5.368,358 3.176,359 2.276,360 2.897,362 6.835,363 2.017,364 3.427,365 2.559,366 5.124,367 2.948,368 2.022,369 2.794,371 6.037,372 1.868,373 3.279,374 2.183,375 4.969,376 2.91,377 1.974,378 2.522,380 5.625,381 1.835,382 2.919,383 2.12,384 4.682,385 2.532,386 1.622,387 2.057,389 4.618,390 1.463,391 2.891,392 2.005,393 4.36,394 2.516,395 1.596,396 1.967,398 4.105,399 1.458,400 2.142,401 1.243,402 3.793,403 1.784,404 0.834,405 1.05,407 2.247,408 0.789,409 1.928,410 0.938,411 3.136,412 1.6,413 0.712,414 0.841,415 1.335,416 0.625,417 1.488,418 0.923,419 2.932,420 1.211,421 0.366,422 0.399,423 0.52,424 0.306,425 1.243,426 0.688,427 2.718,428 0.839,429 -0.011,430 -0.013,431 -0.025,432 -0.009,433 1.064,434 0.357,435 2.537,436 0.644,437 -0.275,438 -0.357,439 -0.733,440 -0.252,441 0.822,442 -0.155,443 2.471,444 0.425,445 -0.488,446 -0.593,448 -1.166,449 -0.443,450 0.637,451 -0.174,452 2.313,453 0.276,454 -0.613,455 -0.71,457 -1.329,458 -0.535,459 12,460 0.48,461 0.733,462 0.029,463 33,464 1.32,465 16.5,466 0.66,467 16.5,468 0.66,469 21.686,470 0.867,471 27.6,472 0.6,473 23.884,474 0.955,475 6.356,476 0.254,477 5.583,478 0.223,479 0.233,481 0.417,485 1.053,486 1.243,487 0.789,488 0.963,489 1.248,490 0.908,491 1.041,492 0.779,493 0.708,494 0.74,495 0.644,496 0.685,497 0.95,498 1.23,499 1.164,500 1.166,501 0.859,502 0.991,503 0.753,504 1.24,505 1.055,506 1.288,507 0.64,508 1.139,509 1.318,510 1.191,511 1.57,512 1.338,513 1.32,514 1.227,515 0.702,516 0.946,517 1.181,518 1.105,519 0.978,520 1.057,521 0.651,522 1.137,523 1.033,524 1.195,525 0.657,526 1.05,527 1.173,528 1.065,529 0.821,530 0.922,531 1.332,532 1.07,533 6,534 0.102,535 2.667,536 2.757,537 2.113,538 1.014,539 0.618,540 0.415,541 0.385,542 0.222,543 6222,544 17897,545 1.992,546 45.7,547 7,548 9,551 5,555 1.684,556 1.807,557 3.207,558 2.647,559 1,560 1,564 78.749,565 1.712,566 3.758,567 4.398,568 4.632,569 4.675,570 4.719,571 2.615,572 4.404,573 4.616,574 3.334,575 1000.12,576 8.005,577 11831.2,579 1,581 1,582 254.084,583 1.554,584 4.541,585 0.222,586 0.008,587 0.068,588 0.066,589 0.05,590 0.031,591 0.022,592 0.015,593 0.016,594 0.012,595 0.51,596 0.17,597 1,598 1.047,599 118.833,600 -0.138,601 -0.03,602 0.048,603 0.048,604 -0.262,605 0.053,606 0.079,607 0.296,608 0.263,609 0.3,610 0.237,611 0.297,612 -0.005,613 -0.065,614 -0.009,615 0.03,616 -0.038,617 0.016,618 0.117,619 -0.125,620 0.045,621 -0.141,622 0.188,623 -0.127,624 -0.306,625 -0.077,626 -0.334,627 -0.191,628 -0.315,629 -0.258,630 -0.029,631 0.044,632 -0.118,633 -0.061,634 -0.122,635 -0.043,636 0.095,637 -0.2,638 -0.028,639 -0.156,640 0.137,641 -0.016,642 -0.091,643 -0.125,644 -0.09,645 -0.148,646 -0.164,647 -0.151,648 1.51,649 2.089,650 0.6,651 19.709,652 1.007,653 1.134,654 2.742,655 7.519,656 0.667,657 3.332,658 3.689,659 3.989,660 4.317,661 4.511,662 4.605,663 4.7,664 4.804,665 4.852,666 4.883,667 5.616,668 0.629,669 359.5,670 3.332,671 4.89,672 5.759,673 6.668,674 7.559,675 8.473,676 9.373,677 10.289,678 11.194,679 12.112,680 10.9,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,716 2,718 46,719 16,720 1,721 27,723 48,724 17,725 12,726 3,727 3,729 3,730 4,734 2,741 12,742 5,743 1,753 1,754 1,757 21,758 6,759 5,760 8,761 1,764 5,769 0.667,770 2,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 4,810 25,811 2,818 2,819 1,820 1,829 4.3,834 2,836 13.833,837 9.4,838 5.583,839 2.499,840 3.163,841 1.439,842 0.978,843 5.198,844 10.365,845 3.584,846 4.259,847 4.91,848 5.573,849 6.1,850 6.448,851 6.822,852 7.233,853 7.475,854 7.8,855 1,856 42,857 9.161,859 3.791,860 7.727,861 17.382,863 13.858,865 2.227,866 55.667,869 1,870 188.338,871 124.925,872 116.151,874 22,876 32.22,877 92.706,878 210.337,879 116.151,880 39.417,882 94.223,883 35.286,884 57.703,885 4.227,886 220.557,888 188.338,889 208.857,890 22,891 32.22,893 188.338,894 22,897 39.172,898 136.113,899 33.571,900 32.22,901 188.338,902 138.151,903 124.925,906 188.338,907 57.08,908 67.845,909 16.786,910 121.365,911 188.338,912 138.151,913 124.925,915 0.585,916 0.356,917 0.207,918 0.111,919 19,920 10,921 0.104,922 5,923 1,924 1.133,925 3.506,926 211.428,927 0.133,928 15,929 114.096,930 1,933 18.013,934 7.215,935 3.458,936 1.476,937 121.365,938 5.79,939 8.37,940 3.322,943 4.96,945 82.58,946 451.414,947 35,956 46.309,957 52.152,958 0.31,959 0.68,960 0.796,961 0.839,962 0.846,963 0.854,964 4.836,965 1.596,966 5.778,967 4.618,968 4.369,969 4.945,970 3.062,971 6.648,972 4.225,973 6.082,974 0.834,975 7.376,976 4.105,977 4.111,978 4.956,980 7.67,981 3.925,982 7.423,983 0.712,984 9.071,985 2.247,986 6.019,987 7.262,988 5.041,989 10.799,990 5.765,991 8.802,992 0.366,993 10.823,994 1.335,995 6.538,996 8.073,998 12.662,999 6.255,1000 10.212,1001 -0.011,1002 12.612,1003 0.52,1004 7.968,1005 9.903,1006 7.186,1007 15.34,1008 7.634,1009 11.645,1010 -0.275,1011 14.428,1012 -0.025,1013 8.848,1014 11.096,1016 17.572,1017 8.488,1018 13.098,1019 -0.488,1020 16.265,1021 -0.733,1022 10.104,1023 12.74,1024 9.348,1025 20.106,1026 9.704,1027 3.323,1028 -0.613,1029 18.12,1030 -1.166,1031 11.15,1032 14.118,1034 22.491,1035 10.723,1036 2.9,1037 12.043,1038 19.989,1039 -1.329,1040 12.348,1041 15.69,1042 11.511,1043 24.984,1044 11.885,1045 2.586,1046 9.142,1047 21.87,1048 4.696,1049 13.469,1050 17.154,1052 27.429,1053 12.977,1054 2.276,1055 8.195,1056 23.762,1057 3.913,1058 14.65,1059 18.701,1060 13.675,1061 29.913,1062 14.125,1063 2.022,1064 6.835,1065 25.662,1066 3.384,1067 15.806,1068 20.206,1070 32.383,1071 15.25,1072 1.974,1073 6.037,1074 27.57,1075 2.897,1076 16.986,1077 21.746,1078 15.838,1079 34.866,1080 16.397,1081 1.622,1082 5.625,1083 29.484,1084 2.794,1085 18.159,1086 23.27,1088 37.346,1089 17.538,1090 6240,1091 10718,1092 17.224,1093 30.676,1094 40.605,1095 43.822,1096 43.451,1097 40.415,1098 40.422,1099 53.043,1100 9.34,1101 121.407,1102 37.351,1103 5.526,1104 6.582,1105 6.586,1106 5.441,1107 5.323,1108 7.696,1109 5.9,1110 19.231,1111 5.2,1112 15.47,1113 1.504,1114 1.623,1115 1.609,1116 1.497,1117 1.497,1118 1.965,1119 0.346,1120 4.497,1121 1.383,1122 4.122,1123 4.161,1124 4.194,1125 4.023,1126 5.318,1127 4.024,1128 3.892,1129 3.903,1130 3.907,1131 3.816,1132 4.981,1133 3.815,1134 3.576,1135 3.65,1136 3.55,1137 3.408,1138 4.928,1139 3.407,1140 3.351,1141 3.429,1142 3.374,1143 3.177,1144 4.738,1145 3.151,1146 3.247,1147 3.314,1148 3.108,1149 2.966,1150 4.496,1151 2.98,1152 3.227,1153 3.297,1154 3.051,1155 2.946,1156 4.292,1157 2.956,1158 3.086,1159 3.21,1160 2.957,1161 2.77,1162 4.186,1163 2.799,1164 2.874,1165 3.009,1166 2.852,1167 2.697,1168 4.012,1169 2.662,1170 0.175,1171 0.17,1172 0.26,1173 0.159,1174 0.123,1175 4.736,1176 0.174,1177 4.582,1178 0.109,1179 7.032,1180 0.446,1181 4.284,1182 0.119,1183 3.323,1184 4.696,1185 2.95,1186 12.043,1187 3.2,1188 1.878,1189 1.867,1190 1.975,1191 2.017,1192 1.224,1193 1.99,1194 1.845,1195 1.813,1196 1.932,1197 1.965,1198 1.064,1199 1.964,1200 1.648,1201 1.589,1202 1.79,1203 1.841,1204 0.825,1205 1.853,1206 1.293,1207 1.241,1208 1.576,1209 1.539,1210 0.589,1211 1.545,1212 1.192,1213 1.116,1214 1.559,1215 1.523,1216 0.574,1217 1.539,1218 1.175,1219 1.097,1220 1.417,1221 1.47,1222 0.523,1223 1.482,1224 1,1225 0.902,1226 1.399,1227 1.374,1228 0.469,1229 1.357,1230 0.934,1231 0.804,1232 1.266,1233 1.239,1234 0.167,1235 1.308,1236 4.007,1238 5.352,1239 2.398,1240 6.893,1241 4.844,1242 8.531,1243 7.066,1244 10.22,1246 7.451,1250 11.812,1254 10.668,1255 1.576,1256 0.242,1262 28.938,1263 78.749,1264 172.859,1265 202.309,1266 213.064,1267 215.064,1268 217.064,1269 38.363,1270 7.202,1271 112.07,1272 137.37,1273 17,1274 12.624,1275 4.087,1276 3.17,1277 41.611,1278 83,1279 89,1280 0.249,1281 184.263,1282 305.49,1283 441.362,1284 11466,1286 18.137,1287 0.725,1288 0.616,1289 18.491,1290 15.4,1291 11.939,1292 0.442,1293 0.319,1294 7.708,1295 10.916,1296 7.31,1297 6.171,1298 12.347,1299 8.603,1300 10.96,1301 0.281,1302 0.177,1303 11.629,1304 6.916,1305 8.978,1306 0.169,1307 0.092,1308 9.701,1309 4.868,1310 8.18,1311 0.111,1312 0.053,1313 9.115,1314 3.903,1315 6.279,1316 0.07,1317 0.03,1318 7.292,1319 2.688,1320 0.381,1321 79.75,1322 0.241,1323 23.792,1324 0.713,1325 132,1326 394.579,1327 172.429,1328 400.577,1329 556.11,1330 376,1331 158,1332 404.411,1333 193.797,1334 427.879,1335 628.13,1336 399,1337 5.337}
{0 CHEMBL477789,1 1.52,2 7.957,3 4.585,4 21.022,5 99.685,6 7.443,7 0.64,8 3.87,9 4.012,10 3.482,11 3.452,12 4.963,13 3.389,14 4.368,15 4.561,16 3.898,17 3.85,18 5.402,19 3.753,20 4.544,21 4.739,22 4.042,23 4.019,24 5.512,25 3.885,26 4.645,27 4.843,28 3.98,29 4.046,30 5.642,31 3.885,32 4.682,33 4.906,34 3.867,35 3.982,36 5.647,37 3.84,38 4.737,39 5.005,40 3.701,41 3.951,42 5.583,43 3.799,44 4.637,45 4.882,46 3.541,47 3.875,48 5.539,49 3.727,50 4.636,51 4.92,52 3.402,53 3.745,54 5.55,55 3.586,56 0.061,57 0.7,58 10.115,59 3.938,60 11.003,61 5.337,62 0.209,63 1.092,64 18.812,65 7.304,66 22.476,67 9.768,68 0.132,69 1.3,70 24.547,71 9.005,72 17.211,73 11.416,74 0.279,75 1.426,76 33.283,77 11.099,78 28.278,79 13.297,80 0.273,81 1.414,82 28.901,83 8.583,84 32.501,85 11.863,86 0.279,87 1.369,88 31.601,89 9.78,90 29.608,91 13.572,92 0.181,93 1.245,94 24.388,95 8.6,96 26.335,97 12.337,98 0.188,99 1.169,100 23.986,101 8.164,102 32.083,103 12.254,104 28,105 36,106 0.264,107 0.633,108 0.779,109 0.805,110 0.805,111 0.805,112 3.19,113 1.02,114 -5.5,115 -5.38,116 -5.02,119 38.6,120 3,121 2,139 3,140 4,141 1,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 10,169 1,170 2,172 3,173 4,175 4,178 12,180 1,182 2,187 2,189 14,191 1,193 3,195 1,196 2,197 3,198 5,200 4,201 8,204 2,205 1,207 3,212 8,215 9,218 3,221 4,226 4,229 11,231 3,234 6,239 3,241 8,243 3,246 5,251 7,254 5,256 7,260 1,265 5,268 1,270 5,273 696,274 15.301,275 15.301,276 15.301,277 15.301,278 15.301,279 13.217,280 14.497,281 8.931,282 15.69,283 12.293,284 12.293,285 12.293,286 12.293,287 12.293,288 9.168,289 13.503,290 4.137,291 12.993,292 3.939,293 1.818,294 0.978,295 0.824,296 0.824,297 0.824,298 3.864,301 1,302 1,303 385,304 2.739,306 44.781,307 127.778,310 87.453,314 1.1,315 15.755,317 1,318 0.75,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.86,326 48.5,327 183,328 4.714,329 4.611,330 6.927,331 4.241,332 3.286,333 4.684,334 2.95,335 11.681,336 3.145,337 4.329,338 3.476,339 6.407,340 3.917,341 2.96,342 3.991,344 9.725,345 2.831,346 3.845,347 3.007,348 5.755,349 3.399,350 2.478,351 3.329,353 7.695,354 2.277,355 3.444,356 2.43,357 5.161,358 2.966,359 2.05,360 2.822,362 6.116,363 1.879,364 3.253,365 2.147,366 4.965,367 2.879,368 1.879,369 2.529,371 5.583,372 1.87,373 3.232,374 2.139,375 4.841,376 2.791,377 1.863,378 2.481,380 5.104,381 1.728,382 2.902,383 1.977,384 4.435,385 2.519,386 1.587,387 2.058,389 4.133,390 1.459,391 2.657,392 1.916,393 3.956,394 2.3,395 1.333,396 1.695,398 3.224,399 1.279,400 2.076,401 1.111,402 3.325,403 1.867,404 0.901,405 1.025,407 1.708,408 0.867,409 1.628,410 0.956,411 3.047,412 1.317,413 0.424,414 0.492,415 1.045,416 0.369,417 1.14,418 0.459,419 2.719,420 0.82,421 -0.135,422 -0.155,423 -0.275,424 -0.128,425 1.02,426 0.017,427 2.497,428 0.653,429 -0.283,430 -0.37,431 -0.757,432 -0.254,433 1,434 -0.11,435 2.353,436 0.622,437 -0.347,438 -0.445,439 -0.762,440 -0.347,441 0.675,442 -0.299,443 2.352,444 0.333,445 -0.57,446 -0.666,448 -1.331,449 -0.512,450 0.393,451 -0.451,452 2.083,453 0.154,454 -0.783,455 -0.886,457 -1.766,458 -0.727,459 11.333,460 0.493,461 0.665,462 0.029,463 30,464 1.304,465 15.5,466 0.674,467 14.5,468 0.63,469 20.759,470 0.903,471 24.667,472 0.561,473 19.58,474 0.851,475 5.511,476 0.24,477 5.496,478 0.239,479 0.203,481 0.397,485 1.176,486 1.125,487 0.827,488 0.858,489 1.343,490 0.881,491 0.342,492 0.859,493 0.682,494 0.852,495 0.333,496 0.812,497 0.994,498 1.129,499 1.046,500 1.029,501 0.842,502 0.944,503 0.695,504 1.269,505 1.698,506 1.636,507 0.573,508 1.229,509 1.511,510 1.197,511 1.304,512 1.199,513 1.416,514 1.175,515 1.158,516 0.922,517 1.112,518 0.997,519 0.826,520 0.931,521 1.052,522 1.129,523 1.003,524 1.091,525 1.089,526 1.187,527 0.951,528 1.069,529 0.731,530 0.892,531 0.911,532 1.039,533 5,534 0.012,535 2.889,536 2.604,537 1.668,538 0.886,539 0.67,540 0.431,541 0.244,542 0.061,543 4828,544 11703,545 2.016,546 47.7,547 13,548 3,551 5,555 1.665,556 1.84,557 2.971,558 2.675,564 66.88,565 1.52,566 3.642,567 4.482,568 4.635,569 4.635,570 4.635,571 2.334,572 3.969,573 4.497,574 3.11,575 786.839,576 7.783,577 8794.31,579 1,582 240.215,583 1.538,584 4.428,585 0.2,586 0.012,587 0.08,588 0.069,589 0.046,590 0.029,591 0.022,592 0.017,593 0.011,594 0.008,595 0.494,597 0.88,598 1.069,599 105.082,600 -0.169,601 0.07,602 0.045,603 0.127,604 -0.276,605 0.089,606 0.52,607 0.223,608 0.278,609 0.183,610 0.403,611 0.194,612 -0.053,613 -0.018,614 0.133,615 0.131,616 -0.052,617 0.072,618 0.268,619 -0.137,620 -0.21,621 -0.288,622 0.254,623 -0.181,624 -0.291,625 -0.102,626 -0.22,627 -0.176,628 -0.317,629 -0.228,630 -0.147,631 0.051,632 -0.086,634 -0.026,635 0.047,636 -0.161,637 -0.162,638 -0.209,639 -0.209,640 -0.138,641 -0.223,642 -0.037,643 -0.185,644 -0.018,645 -0.095,646 0.098,647 -0.089,648 1.47,649 2.094,650 0.652,651 16.533,652 0.992,653 1.13,654 4.273,655 18.261,656 0.677,657 3.258,658 3.611,659 3.912,660 4.234,661 4.431,662 4.543,663 4.625,664 4.754,665 4.7,666 4.625,667 5.019,668 0.625,669 327.5,670 3.258,671 4.812,672 5.68,673 6.586,674 7.477,675 8.391,676 9.291,677 10.208,678 11.113,679 12.031,680 11.4,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,718 44,719 16,720 1,721 25,723 46,724 17,725 12,726 3,727 3,729 3,730 4,734 3,739 2,741 12,742 5,754 1,757 21,758 4,759 5,760 6,761 1,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 3,810 23,811 2,816 2,819 1,836 12.5,837 8.733,838 5.083,839 2.714,840 3.199,841 1.455,842 1.011,843 4.508,844 10.222,845 3.526,846 4.216,847 4.861,848 5.518,849 6.04,850 6.387,851 6.757,852 7.197,853 7.385,854 7.618,855 1,856 38,857 8.457,859 3.518,860 7.601,861 16.373,863 13.355,865 2.101,866 48.333,869 1,870 188.338,871 112.938,872 116.151,876 32.22,877 80.718,878 188.338,879 116.151,880 26.476,881 5.069,882 94.223,883 35.286,884 31.588,885 4.227,886 220.557,888 188.338,889 196.869,891 32.22,893 188.338,897 53.067,898 110.231,899 33.571,900 32.22,901 188.338,902 116.151,903 112.938,906 188.338,907 58.033,908 54.904,909 16.786,910 99.365,911 188.338,912 116.151,913 112.938,915 0.584,916 0.35,917 0.204,918 0.112,919 18,920 9,921 0.087,922 4,923 1,924 1.133,925 3.347,926 189.903,927 0.133,928 15,929 94.042,930 1,933 16.154,934 6.419,935 3.034,936 1.613,937 99.365,938 6.338,939 8.42,940 3.385,943 6.669,945 82.58,946 417.426,947 33,956 43.654,957 49.733,958 0.278,959 0.667,960 0.821,961 0.849,962 0.849,963 0.849,964 4.771,965 1.333,966 5.694,967 4.133,968 4.29,969 4.902,970 2.913,971 6.561,972 4.181,973 6.021,974 0.901,975 7.29,976 3.224,977 4.007,978 4.913,980 7.567,981 3.852,982 7.364,983 0.424,984 8.986,985 1.708,986 5.932,987 7.233,988 5.027,989 10.712,990 5.724,991 8.746,992 -0.135,993 10.741,994 1.045,995 6.447,996 8.055,998 12.558,999 6.199,1000 10.16,1001 -0.283,1002 12.533,1003 -0.275,1004 7.888,1005 9.889,1006 7.185,1007 15.234,1008 7.594,1009 11.598,1010 -0.347,1011 14.352,1012 -0.757,1013 8.77,1014 11.091,1016 17.433,1017 8.437,1018 13.055,1019 -0.57,1020 16.191,1021 -0.762,1022 10.031,1023 12.737,1024 9.348,1025 19.95,1026 9.656,1027 3.286,1028 -0.783,1029 18.045,1030 -1.331,1031 11.077,1032 14.117,1034 22.294,1035 10.662,1036 2.96,1037 11.681,1038 19.912,1039 -1.766,1040 12.273,1041 15.689,1042 11.511,1043 24.759,1044 11.817,1045 2.478,1046 9.725,1047 21.789,1048 4.684,1049 13.389,1050 17.152,1052 27.163,1053 12.891,1054 2.05,1055 7.695,1056 23.674,1057 3.991,1058 14.565,1059 18.696,1060 13.675,1061 29.613,1062 14.026,1063 1.879,1064 6.116,1065 25.566,1066 3.329,1067 15.712,1068 20.197,1070 32.043,1071 15.131,1072 1.863,1073 5.583,1074 27.463,1075 2.822,1076 16.883,1077 21.733,1078 15.838,1079 34.49,1080 16.26,1081 1.587,1082 5.104,1083 29.365,1084 2.529,1085 18.045,1086 23.253,1088 36.932,1089 17.379,1090 4830,1091 7669,1092 16.126,1093 29.767,1094 37.764,1095 40.761,1096 40.034,1097 37.514,1098 37.521,1099 50.213,1100 5.9,1101 112.03,1102 35.404,1103 5.514,1104 6.611,1105 6.685,1106 5.397,1107 5.286,1108 7.684,1109 5.9,1110 18.853,1111 5.145,1112 13.144,1113 1.511,1114 1.63,1115 1.601,1116 1.501,1117 1.501,1118 2.009,1119 0.236,1120 4.481,1121 1.416,1122 4.12,1123 4.159,1124 4.196,1125 4.028,1126 5.318,1127 4.024,1128 3.915,1129 3.942,1130 3.916,1131 3.864,1132 4.981,1133 3.857,1134 3.577,1135 3.654,1136 3.514,1137 3.412,1138 4.77,1139 3.403,1140 3.367,1141 3.451,1142 3.348,1143 3.184,1144 4.684,1145 3.167,1146 3.266,1147 3.35,1148 3.067,1149 3.125,1150 4.144,1151 3.101,1152 3.097,1153 3.217,1154 3.056,1155 2.924,1156 4.027,1157 2.896,1158 3.055,1159 3.143,1160 2.964,1161 2.782,1162 3.966,1163 2.81,1164 2.85,1165 2.972,1166 2.743,1167 2.598,1168 3.794,1169 2.574,1170 0.189,1171 0.184,1172 0.277,1173 0.17,1174 0.131,1175 4.714,1176 0.187,1177 4.611,1178 0.118,1179 6.927,1180 0.467,1181 4.241,1182 0.126,1183 3.286,1184 4.684,1185 2.95,1186 11.681,1187 3.145,1188 1.933,1189 1.914,1190 2.034,1191 2.015,1192 1.252,1193 2.017,1194 1.844,1195 1.808,1196 1.967,1197 1.992,1198 1.186,1199 1.984,1200 1.644,1201 1.582,1202 1.806,1203 1.837,1204 0.879,1205 1.857,1206 1.358,1207 1.298,1208 1.639,1209 1.571,1210 0.719,1211 1.574,1212 1.303,1213 1.226,1214 1.516,1215 1.507,1216 0.654,1217 1.557,1218 1.09,1219 1.009,1220 1.449,1221 1.382,1222 0.492,1223 1.367,1224 1.027,1225 0.93,1226 1.278,1227 1.309,1228 0.338,1229 1.362,1230 0.898,1231 0.774,1232 1.254,1233 1.27,1235 1.285,1236 3.932,1238 5.273,1239 2.398,1240 6.812,1241 4.844,1242 8.452,1243 7.05,1244 10.143,1246 6.411,1250 11.824,1252 1.946,1255 1.728,1262 27.509,1263 66.88,1264 160.235,1265 197.195,1266 203.95,1267 203.95,1268 203.95,1269 31.791,1270 7.023,1271 93.61,1272 118.91,1273 17,1274 12.543,1275 4.087,1276 3.17,1277 36.512,1278 68,1279 61,1280 0.268,1281 176.271,1282 287.91,1283 421.86,1284 9167,1286 16.56,1287 0.72,1288 0.627,1289 16.914,1290 14.42,1291 11.007,1292 0.44,1293 0.34,1294 7.69,1295 10.32,1296 7.301,1297 6.168,1298 11.415,1299 8.501,1300 10.125,1301 0.281,1302 0.187,1303 10.74,1304 6.717,1305 8.364,1306 0.171,1307 0.108,1308 9.288,1309 5.276,1310 7.527,1311 0.111,1312 0.058,1313 8.432,1314 3.956,1315 5.68,1316 0.068,1317 0.034,1318 6.699,1319 2.789,1320 0.402,1321 71.928,1322 0.249,1323 21.939,1324 0.796,1325 122,1326 297.108,1327 156.672,1328 322.662,1329 457.09,1330 302,1331 146,1332 340.32,1333 179.047,1334 365.601,1335 539.66,1336 344,1337 5.614}
{0 CHEMBL477790,1 1.67,2 9.391,3 3.596,4 12.933,5 96.066,6 7.845,7 0.64,8 3.844,9 3.976,10 3.497,11 3.392,12 4.986,13 3.352,14 4.328,15 4.503,16 3.891,17 3.772,18 5.429,19 3.699,20 4.484,21 4.674,22 3.955,23 3.901,24 5.494,25 3.793,26 4.517,27 4.704,28 3.92,29 3.899,30 5.586,31 3.778,32 4.601,33 4.832,34 3.854,35 3.881,36 5.585,37 3.748,38 4.582,39 4.834,40 3.633,41 3.821,42 5.468,43 3.66,44 4.445,45 4.683,46 3.441,47 3.671,48 5.433,49 3.535,50 4.387,51 4.649,52 3.273,53 3.485,54 5.366,55 3.366,56 0.055,57 0.669,58 9.082,59 3.674,60 10.594,61 4.669,62 0.239,63 1.024,64 17.431,65 6.68,66 24.594,67 8.413,68 0.175,69 1.187,70 23.545,71 8.157,72 18.334,73 9.861,74 0.252,75 1.239,76 24.331,77 8.541,78 26.61,79 10.536,80 0.321,81 1.286,82 27.013,83 7.632,84 33.017,85 10.293,86 0.229,87 1.183,88 28.045,89 8.85,90 25.367,91 11.744,92 0.253,93 1.028,94 23.24,95 7.232,96 29.672,97 9.61,98 0.172,99 0.887,100 18.414,101 6.129,102 28.593,103 8.916,104 22,105 35,106 0.293,107 0.675,108 0.806,109 0.839,110 0.839,111 0.839,112 3.189,113 0.983,114 -4.49,115 -4.42,116 -4.16,119 38.1,120 1,121 2,124 1,139 4,140 2,141 2,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 6,169 1,170 4,172 3,173 4,175 4,178 8,180 1,182 4,187 2,189 8,191 1,193 3,195 1,196 2,197 3,198 5,200 4,201 4,204 2,205 1,207 4,212 6,215 7,218 3,221 4,226 3,229 6,231 3,234 5,237 1,239 3,241 4,243 3,246 4,251 5,254 2,256 5,259 1,260 1,265 2,270 2,273 737,274 15.618,275 15.618,276 15.618,277 15.618,278 15.618,279 13.668,280 16.499,281 9.214,282 16.209,283 12.258,284 12.258,285 12.258,286 12.258,287 12.258,288 9.224,289 17.011,290 4.232,291 13.178,292 3.722,293 1.544,294 0.798,295 0.607,296 0.607,297 0.607,298 3.868,300 1,301 1,302 1,303 457,304 2.828,306 47.515,307 131.038,310 92.206,314 1.365,315 17.615,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 49.5,327 216,328 4.712,329 4.578,330 6.924,331 4.237,332 3.28,333 4.684,334 2.95,335 11.672,336 3.143,337 4.056,338 3.393,339 5.827,340 3.608,341 2.681,342 3.65,343 0.86,344 8.054,345 2.486,346 3.847,347 2.936,348 5.454,349 3.402,350 2.479,351 3.331,353 7.176,354 2.279,355 3.501,356 2.76,357 5.187,358 3.08,359 2.177,360 2.842,362 6.361,363 1.944,364 3.408,365 2.363,366 5.078,367 2.924,368 2.004,369 2.747,371 5.963,372 1.836,373 3.204,374 2.006,375 4.934,376 2.773,377 1.832,378 2.459,380 5.483,381 1.719,382 2.671,383 1.944,384 4.356,385 2.383,386 1.452,387 1.707,389 3.865,390 1.336,391 2.5,392 1.303,393 3.414,394 2,395 1,396 1.5,398 2.275,399 1,400 2.076,401 1,402 3.323,403 1.865,404 0.9,405 1.025,407 1.708,408 0.865,409 1.745,410 0.961,411 3.018,412 1.436,413 0.583,414 0.654,415 1,416 0.491,417 1.263,418 0.688,419 2.727,420 0.919,421 0.035,422 0.041,423 0.075,424 0.03,425 1.131,426 0.391,427 2.618,428 0.756,429 -0.163,430 -0.197,431 -0.356,432 -0.151,433 0.92,434 0.014,435 2.469,436 0.528,437 -0.384,438 -0.486,439 -0.882,440 -0.346,441 0.647,442 -0.301,443 2.216,444 0.32,445 -0.593,446 -0.688,448 -1.333,449 -0.535,450 0.5,451 -0.477,452 2,453 0.105,454 -0.821,455 -0.959,457 -1.727,458 -0.748,459 11.167,460 0.486,461 0.554,462 0.024,463 31,464 1.348,465 16,466 0.696,467 15,468 0.652,469 18.179,470 0.79,471 24.833,472 0.591,473 20.736,474 0.902,475 5.883,476 0.256,477 5.235,478 0.228,479 0.161,481 0.358,485 1.094,486 1.168,487 0.79,488 0.883,489 1.263,490 0.863,491 0.826,492 0.868,493 0.739,494 0.854,495 0.521,496 0.815,497 1.074,498 1.149,499 1.16,500 1.091,501 0.872,502 0.925,503 0.724,504 1.219,505 1.256,506 1.346,507 0.665,508 1.181,509 1.082,510 1.078,511 1.216,512 1.113,513 1.326,514 1.086,515 0.74,516 1.076,517 1.206,518 1.192,519 0.748,520 1.067,521 0.921,522 1.091,523 1.3,524 1.223,525 1.124,526 1.152,527 1.005,528 1.096,529 0.737,530 0.925,531 1.079,532 1.065,533 5,534 0.082,535 2.222,536 2.167,537 1.517,538 0.893,539 0.476,540 0.324,541 0.229,542 0.152,543 5184,544 14303,545 2.041,546 45.2,547 7,548 7,551 5,555 1.661,556 1.89,557 3.168,558 2.718,560 1,562 1,564 70.157,565 1.67,566 3.849,567 4.594,568 4.785,569 4.785,570 4.785,571 2.644,572 4.176,573 4.49,574 3.314,575 838.51,576 7.753,577 9365.5,578 1,579 1,581 1,582 226.477,583 1.478,584 4.443,585 0.2,586 0.01,587 0.063,588 0.06,589 0.045,590 0.031,591 0.018,592 0.014,593 0.012,594 0.013,595 0.466,597 1,598 1.139,599 106.528,600 -0.158,601 0.023,602 0.044,603 0.096,604 -0.254,605 0.077,606 0.214,607 0.21,608 0.217,609 0.177,610 0.296,611 0.163,612 -0.127,613 -0.049,614 0.027,615 0.077,616 -0.052,617 0.078,618 0.139,619 -0.113,620 -0.1,621 -0.194,622 0.182,623 -0.182,624 -0.203,625 0.013,626 -0.126,627 -0.078,628 -0.308,629 -0.133,630 -0.048,631 -0.093,632 -0.101,633 -0.108,634 0.01,635 -0.044,636 -0.077,637 -0.078,638 -0.276,639 -0.208,640 -0.119,641 -0.172,642 -0.053,643 -0.215,644 -0.017,645 -0.135,646 -0.023,647 -0.112,648 1.486,649 2.056,650 0.652,651 18.741,652 1.002,653 1.132,654 3.258,655 10.615,656 0.678,657 3.258,658 3.584,659 3.871,660 4.19,661 4.407,662 4.511,663 4.585,664 4.682,665 4.682,666 4.682,667 5.466,668 0.636,669 329.47,670 3.258,671 4.796,672 5.652,673 6.547,674 7.428,675 8.333,676 9.225,677 10.135,678 11.033,679 11.946,680 11.9,684 2,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,716 1,718 42,719 16,720 1,721 25,723 44,724 16,725 12,726 2,727 4,729 3,730 4,734 1,739 2,741 12,742 4,753 1,754 1,757 19,758 5,759 5,760 7,761 1,764 5,769 0.667,770 1,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 2,810 23,811 2,816 2,818 1,819 1,829 2.4,834 1,836 12.167,837 7.983,838 5.194,839 2.464,840 3.126,841 1.445,842 1.004,843 4.755,844 10.148,845 3.526,846 4.186,847 4.825,848 5.487,849 6.026,850 6.362,851 6.736,852 7.151,853 7.359,854 7.642,855 1,856 36,857 8.432,859 3.492,860 7.681,861 16.133,863 12.947,865 2.181,866 50.167,869 1,870 164.795,871 114.519,872 116.151,874 11,876 32.22,877 82.299,878 175.795,879 116.151,880 19.708,881 5.069,882 103.699,883 35.286,884 41.46,885 4.227,886 197.015,888 164.795,889 198.45,890 11,891 32.22,893 164.795,894 11,897 35.416,898 129.463,899 33.571,900 32.22,901 164.795,902 127.151,903 114.519,906 164.795,907 56.906,908 57.613,909 16.786,910 110.365,911 164.795,912 127.151,913 114.519,915 0.573,916 0.341,917 0.198,918 0.113,919 17,920 8,921 0.114,922 5,923 1,924 1.133,925 3.447,926 184.937,927 0.133,928 15,929 100.042,930 1,933 16.117,934 6.785,935 3.293,936 1.562,937 110.365,938 7.926,939 8.353,940 3.328,943 4.713,945 82.58,946 406.465,947 33,956 42.098,957 47.527,958 0.31,959 0.714,960 0.852,961 0.887,962 0.887,963 0.887,964 4.754,965 1,966 5.645,967 3.865,968 4.263,969 4.871,970 2.99,971 6.482,972 4.125,973 5.984,974 0.9,975 7.216,976 2.275,977 3.892,978 4.808,980 7.427,981 3.686,982 7.312,983 0.583,984 8.886,985 1.708,986 5.872,987 7.177,988 5.034,989 10.559,990 5.618,991 8.68,992 0.035,993 10.614,994 1,995 6.312,996 7.943,998 12.377,999 6.006,1000 10.08,1001 -0.163,1002 12.382,1003 0.075,1004 7.78,1005 9.806,1006 7.185,1007 15.051,1008 7.437,1009 11.505,1010 -0.384,1011 14.18,1012 -0.356,1013 8.611,1014 10.977,1016 17.256,1017 8.229,1018 12.95,1019 -0.593,1020 16.001,1021 -0.882,1022 9.883,1023 12.639,1024 9.348,1025 19.781,1026 9.467,1027 3.28,1028 -0.821,1029 17.841,1030 -1.333,1031 10.902,1032 14.009,1034 22.144,1035 10.451,1036 2.681,1037 11.672,1038 19.698,1039 -1.727,1040 12.103,1041 15.592,1042 11.511,1043 24.622,1044 11.619,1045 2.479,1046 8.054,1047 21.569,1048 4.684,1049 13.21,1050 17.056,1052 27.044,1053 12.691,1054 2.177,1055 7.176,1056 23.452,1057 3.65,1058 14.39,1059 18.61,1060 13.675,1061 29.507,1062 13.836,1063 2.004,1064 6.361,1065 25.344,1066 3.331,1067 15.537,1068 20.117,1070 31.95,1071 14.947,1072 1.832,1073 5.963,1074 27.244,1075 2.842,1076 16.714,1077 21.662,1078 15.838,1079 34.409,1080 16.087,1081 1.452,1082 5.483,1083 29.15,1084 2.747,1085 17.88,1086 23.188,1088 36.861,1089 17.216,1090 5160,1091 8705,1092 16.414,1093 28.461,1094 37.038,1095 39.912,1096 39.032,1097 36.858,1098 36.845,1099 49.28,1100 7.62,1101 107.264,1102 34.261,1103 5.504,1104 6.578,1105 6.682,1106 5.389,1107 5.28,1108 7.684,1109 5.9,1110 18.826,1111 5.143,1112 12.145,1113 1.482,1114 1.596,1115 1.561,1116 1.474,1117 1.474,1118 1.971,1119 0.305,1120 4.291,1121 1.37,1122 4.117,1123 4.157,1124 4.189,1125 4.017,1126 5.318,1127 4.018,1128 3.877,1129 3.896,1130 3.891,1131 3.813,1132 4.981,1133 3.806,1134 3.577,1135 3.654,1136 3.528,1137 3.412,1138 4.866,1139 3.403,1140 3.375,1141 3.455,1142 3.363,1143 3.195,1144 4.732,1145 3.177,1146 3.236,1147 3.303,1148 3.123,1149 2.969,1150 4.355,1151 2.977,1152 3.095,1153 3.216,1154 2.971,1155 2.793,1156 4.14,1157 2.815,1158 2.854,1159 2.972,1160 2.871,1161 2.735,1162 4.02,1163 2.715,1164 2.85,1165 2.925,1166 2.687,1167 2.686,1168 3.689,1169 2.639,1170 0.188,1171 0.183,1172 0.277,1173 0.169,1174 0.131,1175 4.712,1176 0.187,1177 4.578,1178 0.118,1179 6.924,1180 0.467,1181 4.237,1182 0.126,1183 3.28,1184 4.684,1185 2.95,1186 11.672,1187 3.143,1188 1.879,1189 1.864,1190 1.973,1191 2.015,1192 1.247,1193 1.986,1194 1.84,1195 1.805,1196 1.953,1197 1.955,1198 1.066,1199 1.967,1200 1.643,1201 1.581,1202 1.806,1203 1.836,1204 0.878,1205 1.855,1206 1.36,1207 1.304,1208 1.567,1209 1.577,1210 0.654,1211 1.582,1212 1.185,1213 1.11,1214 1.512,1215 1.493,1216 0.571,1217 1.513,1218 1.028,1219 0.932,1220 1.278,1221 1.382,1222 0.336,1223 1.366,1224 0.898,1225 0.821,1226 1.254,1227 1.27,1228 0.218,1229 1.285,1230 0.886,1231 0.775,1232 1.181,1233 1.062,1234 0.06,1235 1.107,1236 3.932,1238 5.252,1239 2.398,1240 6.772,1241 4.844,1242 8.389,1243 7.05,1244 10.06,1246 3.792,1250 11.755,1252 1.906,1254 5.193,1255 1.638,1262 26.697,1263 70.157,1264 161.648,1265 192.968,1266 200.968,1267 200.968,1268 200.968,1269 30.917,1270 7.022,1271 102.84,1272 128.14,1273 17,1274 12.462,1275 4.087,1276 3.17,1277 36.72,1278 73,1279 91,1280 0.248,1281 170.675,1282 279.4,1283 408.206,1284 9263,1286 16.397,1287 0.713,1288 0.605,1289 16.751,1290 13.906,1291 11.118,1292 0.445,1293 0.328,1294 7.338,1295 10.243,1296 7.044,1297 5.919,1298 11.526,1299 8.191,1300 9.87,1301 0.282,1302 0.178,1303 10.539,1304 6.235,1305 8.188,1306 0.174,1307 0.098,1308 8.945,1309 4.602,1310 7.266,1311 0.112,1312 0.054,1313 8.095,1314 3.501,1315 5.689,1316 0.07,1317 0.032,1318 6.679,1319 2.584,1320 0.38,1321 73.706,1322 0.247,1323 22.304,1324 0.708,1325 120,1326 336.844,1327 157.55,1328 351.604,1329 491.24,1330 330,1331 142,1332 358.866,1333 174.365,1334 381.139,1335 559.4,1336 358,1337 5.903}
{0 CHEMBL478191,1 1.805,2 7.913,3 4.737,4 22.439,5 99.16,6 9.693,7 0.64,8 3.758,9 3.878,10 3.581,11 3.393,12 4.936,13 3.341,14 4.233,15 4.387,16 4.05,17 3.81,18 5.406,19 3.727,20 4.444,21 4.604,22 4.327,23 3.999,24 5.559,25 3.864,26 4.49,27 4.661,28 4.259,29 3.963,30 5.668,31 3.834,32 4.541,33 4.73,34 4.005,35 3.889,36 5.664,37 3.761,38 4.543,39 4.778,40 3.906,41 3.847,42 5.563,43 3.716,44 4.408,45 4.612,46 3.932,47 3.773,48 5.534,49 3.638,50 4.384,51 4.589,52 3.697,53 3.595,54 5.642,55 3.422,56 0.091,57 0.601,58 5.28,59 3.024,60 11.721,61 3.492,62 0.209,63 0.935,64 12.214,65 5.868,66 22.149,67 7.227,68 0.262,69 1.081,70 26.733,71 8.257,72 22.988,73 8.755,74 0.364,75 1.154,76 27.139,77 8.648,78 35.903,79 9.762,80 0.455,81 1.224,82 27.573,83 8.01,84 37.496,85 8.034,86 0.408,87 1.071,88 26.588,89 8.064,90 44.867,91 9.649,92 0.287,93 0.876,94 23.154,95 7.791,96 30.123,97 9.674,98 0.53,99 0.742,100 32.345,101 7.132,102 61.123,103 8.445,104 38,105 37,106 0.323,107 0.7,108 0.769,109 0.801,110 0.801,111 0.801,112 3.19,113 1.022,114 -5.5,115 -5.38,116 -5.02,119 39.5,120 2,122 1,139 3,140 2,141 3,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 6,169 1,170 2,172 3,173 4,175 4,178 8,180 1,182 2,187 2,189 10,191 1,193 3,195 1,196 2,197 3,198 4,200 4,201 6,204 2,205 1,207 5,212 8,215 4,218 4,226 3,229 9,231 2,234 4,239 2,241 10,243 2,246 5,251 4,254 2,256 4,260 1,265 5,270 5,273 679,274 14.93,275 14.93,276 14.93,277 14.93,278 14.93,279 12.871,280 14.777,281 8.495,282 15.552,283 12.307,284 12.307,285 12.307,286 12.307,287 12.307,288 9.194,289 14.338,290 3.992,291 13.51,292 3.443,293 1.336,294 0.954,295 0.777,296 0.777,297 0.777,298 3.861,299 2,301 1,302 1,303 383,304 2.915,306 44.543,307 127.271,310 87.039,314 1.07,315 22.586,317 1,318 0.75,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.84,326 49.167,327 182,328 4.738,329 4.625,330 7.034,331 4.286,332 3.328,333 4.697,334 2.95,335 12.05,336 3.2,337 4.329,338 3.565,339 6.407,340 3.844,341 2.961,342 3.991,344 9.725,345 2.545,346 3.892,347 3.083,348 5.911,349 3.491,350 2.555,351 3.363,353 8.05,354 2.395,355 3.46,356 2.641,357 5.219,358 3.001,359 2.085,360 2.836,362 6.242,363 1.902,364 3.3,365 2.623,366 4.976,367 2.916,368 1.978,369 2.567,371 5.661,372 1.844,373 3.232,374 2.305,375 4.841,376 2.707,377 1.879,378 2.481,380 5.104,381 1.549,382 3.01,383 2.12,384 4.769,385 2.643,386 1.744,387 2.135,389 4.867,390 1.441,391 2.797,392 1.985,393 3.975,394 2.339,395 1.37,396 1.898,398 3.305,399 1.315,400 2.142,401 1.28,402 3.791,403 1.784,404 0.834,405 1.05,407 2.246,408 0.788,409 1.62,410 0.919,411 3.102,412 1.166,413 0.42,414 0.484,415 1.04,416 0.277,417 1.124,418 0.454,419 2.721,420 0.653,421 -0.254,422 -0.336,423 -0.699,424 -0.223,425 1,426 0.173,427 2.511,428 0.473,429 -0.347,430 -0.445,431 -0.757,432 -0.229,433 0.845,434 -0.152,435 2.356,436 0.448,437 -0.448,438 -0.536,439 -1.207,440 -0.365,441 0.639,442 -0.177,443 2.352,444 0.261,445 -0.59,446 -0.681,448 -1.537,449 -0.488,450 0.2,451 -0.318,452 2.083,454 -1,455 -1,457 -2,458 -0.841,459 11.762,460 0.511,461 0.792,462 0.034,463 30.5,464 1.326,465 15.5,466 0.674,467 15,468 0.652,469 21.214,470 0.922,471 24.238,472 0.638,473 20.113,474 0.874,475 5.549,476 0.241,477 5.331,478 0.232,479 0.274,481 0.425,485 0.915,486 1.073,487 0.589,488 0.662,489 1.091,490 0.7,491 0.446,492 0.854,493 0.563,494 0.73,495 0.385,496 0.707,497 0.993,498 1.142,499 0.854,500 0.913,501 0.912,502 0.863,503 0.674,504 1.135,505 0.928,506 1.134,507 0.598,508 1.002,509 1.278,510 1.264,511 1.274,512 1.383,513 1.182,514 1.217,515 1.186,516 0.802,517 0.908,518 0.776,519 1.227,520 0.875,521 0.818,522 1.118,523 0.942,524 1.036,525 0.747,526 1.055,527 1.637,528 1.043,529 1.766,530 1.376,531 1.749,532 1.471,533 5.5,534 0.012,535 2.889,536 2.757,537 2.033,538 0.778,539 0.894,540 0.332,541 0.252,542 0.046,543 4736,544 16439,545 1.991,546 39.5,547 7,548 3,551 5,555 1.665,556 1.792,557 2.96,558 2.761,564 68.605,565 1.805,566 3.912,567 4.294,568 4.471,569 4.471,570 4.471,571 2.353,572 3.882,573 4.498,574 3.089,575 781.522,576 7.785,577 8640.85,579 1,582 199.421,583 1.55,584 4.413,585 0.22,586 0.012,587 0.078,588 0.071,589 0.053,590 0.025,591 0.031,592 0.012,593 0.014,594 0.007,595 0.523,596 0.17,597 0.88,598 0.899,599 104.694,600 -0.195,601 0.093,602 -0.005,603 0.149,604 -0.295,605 0.108,606 0.281,607 0.225,608 0.169,609 0.19,610 0.293,611 0.2,612 -0.091,613 -0.067,614 0.162,615 0.17,616 -0.1,617 0.085,618 0.234,619 -0.08,620 0.076,621 -0.063,622 0.263,623 -0.044,624 -0.279,625 -0.109,626 -0.316,627 -0.319,628 -0.24,629 -0.323,630 -0.225,631 0.158,632 -0.03,633 0.132,634 -0.264,635 0.095,636 0.112,637 -0.24,638 0.035,639 -0.107,640 0.187,641 -0.046,642 -0.187,643 -0.214,644 -0.419,645 -0.469,646 -0.252,647 -0.492,648 1.529,649 2.164,650 0.652,651 15.762,652 1.014,653 1.126,654 4.273,655 18.261,656 0.736,657 3.258,658 3.638,659 3.932,660 4.263,661 4.454,662 4.554,663 4.663,664 4.736,665 4.691,666 4.654,667 4.927,668 0.687,669 368.32,670 3.258,671 4.828,672 5.7,673 6.616,674 7.51,675 8.431,676 9.335,677 10.257,678 11.167,679 12.09,680 13.2,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,717 2,718 38,719 16,720 1,721 25,723 40,724 15,725 12,726 3,727 3,729 3,730 4,731 2,734 2,741 12,742 3,743 1,757 15,758 4,759 5,760 8,761 3,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 2,807 2,810 23,811 2,819 1,820 1,828 2,836 12.833,837 7.352,838 4.944,839 2.16,840 3.199,841 1.455,842 1.009,843 4.646,844 10.222,845 3.526,846 4.23,847 4.876,848 5.539,849 6.061,850 6.408,851 6.788,852 7.211,853 7.395,854 7.656,855 1,856 39,857 8.425,859 3.591,860 7.8,861 15.885,863 13.042,865 2.3,866 52.889,870 117.711,871 99.673,872 116.151,873 78.297,876 32.22,877 67.454,878 196.008,879 116.151,880 17.65,882 94.223,883 35.286,884 32.218,885 4.227,886 149.931,887 78.297,888 117.711,889 183.605,891 110.517,893 117.711,897 39.172,898 110.862,899 111.868,900 32.22,901 117.711,902 116.151,903 177.971,906 117.711,907 53.594,908 46.079,909 16.786,910 177.663,911 117.711,912 116.151,913 177.971,915 0.599,916 0.355,917 0.203,918 0.109,919 19,920 10,921 0.075,922 3,923 1,924 1.133,925 3.298,926 192.352,927 0.133,928 15,929 96.042,930 1,933 16.706,934 6.396,935 3.107,936 1.407,937 99.365,938 5.423,939 8.302,940 3.265,943 4.381,945 82.58,946 411.833,947 33,956 38.534,957 42.791,958 0.344,959 0.745,960 0.818,961 0.852,962 0.852,963 0.852,964 4.787,965 1.37,966 5.733,967 4.867,968 4.317,969 4.916,970 2.913,971 6.616,972 4.137,973 6.05,974 0.834,975 7.343,976 3.305,977 4.111,978 4.956,980 7.662,981 3.826,982 7.398,983 0.42,984 9.051,985 2.246,986 5.979,987 7.249,988 5.027,989 10.806,990 5.664,991 8.783,992 -0.254,993 10.816,994 1.04,995 6.538,996 8.08,998 12.69,999 6.143,1000 10.199,1001 -0.347,1002 12.618,1003 -0.699,1004 7.954,1005 9.906,1006 7.185,1007 15.38,1008 7.533,1009 11.638,1010 -0.448,1011 14.446,1012 -0.757,1013 8.862,1014 11.114,1016 17.619,1017 8.385,1018 13.097,1019 -0.59,1020 16.295,1021 -1.207,1022 10.116,1023 12.757,1024 9.348,1025 20.157,1026 9.612,1027 3.328,1028 -1,1029 18.16,1030 -1.537,1031 11.179,1032 14.142,1034 22.541,1035 10.634,1036 2.961,1037 12.05,1038 20.039,1039 -2,1040 12.378,1041 15.713,1042 11.511,1043 25.033,1044 11.806,1045 2.555,1046 9.725,1047 21.928,1048 4.697,1049 13.509,1050 17.18,1052 27.474,1053 12.903,1054 2.085,1055 8.05,1056 23.825,1057 3.991,1058 14.692,1059 18.726,1060 13.675,1061 29.955,1062 14.059,1063 1.978,1064 6.242,1065 25.73,1066 3.363,1067 15.853,1068 20.23,1070 32.42,1071 15.19,1072 1.879,1073 5.661,1074 27.641,1075 2.836,1076 17.034,1077 21.768,1078 15.838,1079 34.9,1080 16.344,1081 1.744,1082 5.104,1083 29.557,1084 2.567,1085 18.209,1086 23.291,1088 37.377,1089 17.49,1090 4747,1091 8987,1092 15.838,1093 27.96,1094 38.64,1095 41.958,1096 40.848,1097 38.433,1098 38.305,1099 51.007,1100 5.9,1101 116.58,1102 34.511,1103 5.532,1104 6.625,1105 6.58,1106 5.45,1107 5.328,1108 7.697,1109 5.9,1110 19.249,1111 5.2,1112 14.18,1113 1.546,1114 1.678,1115 1.634,1116 1.537,1117 1.532,1118 2.04,1119 0.236,1120 4.663,1121 1.38,1122 4.121,1123 4.16,1124 4.247,1125 4.027,1126 5.318,1127 4.026,1128 3.875,1129 3.887,1130 4.039,1131 3.843,1132 5.005,1133 3.828,1134 3.575,1135 3.65,1136 3.582,1137 3.408,1138 4.98,1139 3.407,1140 3.334,1141 3.421,1142 3.551,1143 3.155,1144 4.734,1145 3.13,1146 3.087,1147 3.21,1148 3.354,1149 2.849,1150 4.632,1151 2.817,1152 2.901,1153 3.009,1154 3.069,1155 2.838,1156 4.191,1157 2.815,1158 2.879,1159 2.918,1160 3.007,1161 2.744,1162 4.115,1163 2.768,1164 2.874,1165 2.904,1166 2.952,1167 2.618,1168 4.023,1169 2.57,1170 0.19,1171 0.185,1172 0.281,1173 0.171,1174 0.133,1175 4.738,1176 0.188,1177 4.625,1178 0.118,1179 7.034,1180 0.482,1181 4.286,1182 0.128,1183 3.328,1184 4.697,1185 2.95,1186 12.05,1187 3.2,1188 1.877,1189 1.867,1190 1.974,1191 2.017,1192 1.224,1193 1.99,1194 1.845,1195 1.813,1196 1.901,1197 1.912,1198 1.057,1199 1.936,1200 1.648,1201 1.588,1202 1.79,1203 1.836,1204 0.825,1205 1.85,1206 1.282,1207 1.222,1208 1.417,1209 1.525,1210 0.547,1211 1.517,1212 1.001,1213 0.903,1214 1.403,1215 1.375,1216 0.469,1217 1.357,1218 0.934,1219 0.827,1220 1.267,1221 1.239,1222 0.105,1223 1.308,1224 0.862,1225 0.81,1226 1.102,1227 1.137,1228 0.103,1229 1.151,1230 0.849,1231 0.804,1232 1,1233 0.962,1235 1.004,1236 3.932,1238 5.293,1239 2.398,1240 6.845,1241 4.844,1242 8.493,1243 7.066,1244 10.191,1246 4.16,1247 12.549,1250 11.739,1255 1.452,1256 0.21,1262 26.11,1263 68.605,1264 148.65,1265 163.157,1266 169.911,1267 169.911,1268 169.911,1269 37.559,1270 7.023,1271 93.61,1272 118.91,1273 17,1274 12.599,1275 4.087,1276 3.17,1277 36.511,1278 67,1279 61,1280 0.274,1281 173.752,1282 283.73,1283 415.714,1284 9082,1285 5.3,1286 16.723,1287 0.727,1288 0.646,1289 18.077,1290 14.851,1291 10.88,1292 0.435,1293 0.341,1294 7.011,1295 9.637,1296 6.633,1297 5.529,1298 11.866,1299 8.518,1300 10.493,1301 0.284,1302 0.195,1303 11.851,1304 7.201,1305 8.4,1306 0.168,1307 0.108,1308 10.144,1309 5.425,1310 7.641,1311 0.109,1312 0.06,1313 9.399,1314 4.213,1315 5.75,1316 0.068,1317 0.033,1318 7.22,1319 2.777,1320 0.409,1321 77.515,1322 0.251,1323 21.845,1324 0.818,1325 124,1326 351.515,1327 189.711,1328 432.114,1329 578.79,1330 400,1331 149,1332 378.046,1333 211.988,1334 420.939,1335 624.1,1336 396,1337 5.62}
{0 CHEMBL478192,1 1.52,2 7.913,3 4.381,4 19.19,5 99.632,6 7.443,7 0.64,8 3.87,9 4.012,10 3.482,11 3.452,12 4.971,13 3.389,14 4.368,15 4.562,16 3.915,17 3.858,18 5.409,19 3.766,20 4.547,21 4.728,22 4.064,23 4.047,24 5.538,25 3.916,26 4.697,27 4.9,28 4.048,29 4.097,30 5.69,31 3.933,32 4.739,33 4.961,34 3.863,35 4.018,36 5.726,37 3.866,38 4.766,39 5.051,40 3.66,41 3.934,42 5.623,43 3.791,44 4.622,45 4.864,46 3.583,47 3.898,48 5.507,49 3.748,50 4.646,51 4.905,52 3.314,53 3.771,54 5.628,55 3.59,56 0.061,57 0.7,58 10.115,59 3.938,60 11.792,61 5.337,62 0.211,63 1.095,64 18.836,65 7.305,66 23.362,67 9.768,68 0.123,69 1.324,70 24.155,71 9.046,72 16.925,73 11.439,74 0.277,75 1.494,76 34.351,77 11.677,78 30.424,79 14.106,80 0.298,81 1.503,82 33.199,83 9.466,84 35.987,85 12.613,86 0.342,87 1.375,88 30.366,89 9.007,90 39.612,91 13.246,92 0.112,93 1.219,94 23.857,95 9.294,96 20.446,97 13.108,98 0.186,99 1.213,100 23.184,101 8.025,102 38.577,103 12.051,104 38,105 37,106 0.264,107 0.625,108 0.744,109 0.771,110 0.771,111 0.771,112 3.19,113 1.006,114 -5.5,115 -5.38,116 -5.02,119 38.6,120 4,122 1,139 3,140 4,141 1,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 10,169 1,170 2,172 3,173 4,175 4,178 13,180 1,182 2,187 2,189 14,191 1,193 3,195 1,196 2,197 3,198 6,200 4,201 8,204 2,205 1,207 5,212 8,215 8,218 4,221 2,226 3,229 13,231 2,234 6,239 4,241 10,243 4,246 5,251 6,254 2,256 6,260 1,265 5,270 5,273 679,274 14.93,275 14.93,276 14.93,277 14.93,278 14.93,279 12.871,280 15.709,281 8.495,282 15.32,283 12.307,284 12.307,285 12.307,286 12.307,287 12.307,288 9.194,289 14.973,290 3.992,291 13.006,292 3.939,293 1.863,294 1.177,295 1.023,296 1.023,297 1.023,298 3.861,301 1,302 1,303 383,304 2.915,306 44.543,307 127.271,310 87.039,314 1.07,315 16.003,317 1,318 0.75,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.86,326 48.5,327 182,328 4.738,329 4.613,330 7.034,331 4.287,332 3.328,333 4.697,334 2.95,335 12.05,336 3.201,337 4.329,338 3.514,339 6.407,340 3.918,341 2.961,342 3.991,344 9.725,345 2.831,346 3.892,347 3.017,348 5.911,349 3.494,350 2.555,351 3.363,353 8.05,354 2.401,355 3.46,356 2.61,357 5.219,358 3.003,359 2.085,360 2.836,362 6.242,363 1.905,364 3.3,365 2.147,366 4.976,367 2.916,368 1.978,369 2.567,371 5.661,372 1.879,373 3.232,374 2.145,375 4.841,376 2.879,377 1.879,378 2.481,380 5.104,381 1.844,382 3.01,383 2.12,384 4.769,385 2.647,386 1.744,387 2.135,389 4.867,390 1.553,391 2.797,392 1.966,393 3.975,394 2.341,395 1.37,396 1.898,398 3.305,399 1.322,400 2.142,401 1.113,402 3.791,403 1.786,404 0.834,405 1.05,407 2.246,408 0.79,409 1.62,410 0.915,411 3.102,412 1.311,413 0.42,414 0.484,415 1.04,416 0.364,417 1.124,418 0.428,419 2.721,420 0.657,421 -0.254,422 -0.336,423 -0.699,424 -0.23,425 1,426 -0.11,427 2.511,428 0.653,429 -0.347,430 -0.445,431 -0.757,432 -0.347,433 0.845,434 -0.156,435 2.356,436 0.475,437 -0.448,438 -0.536,439 -1.207,440 -0.409,441 0.639,442 -0.317,443 2.352,444 0.305,445 -0.59,446 -0.681,448 -1.537,449 -0.523,450 0.2,451 -0.483,452 2.083,454 -1,455 -1,457 -2,458 -0.977,459 11.333,460 0.493,461 0.792,462 0.034,463 30,464 1.304,465 15.5,466 0.674,467 14.5,468 0.63,469 21.455,470 0.933,471 24.667,472 0.561,473 19.872,474 0.864,475 5.485,476 0.238,477 5.395,478 0.235,479 0.247,481 0.441,485 1.176,486 1.125,487 0.827,488 0.858,489 1.384,490 0.881,491 0.332,492 0.818,493 0.649,494 0.805,495 0.314,496 0.758,497 1.005,498 1.18,499 1.087,500 1.087,501 0.882,502 1.012,503 0.633,504 1.243,505 1.569,506 1.548,507 0.535,508 1.184,509 1.594,510 1.325,511 1.597,512 1.433,513 1.312,514 1.28,515 1.384,516 0.708,517 0.918,518 0.723,519 1.202,520 0.818,521 0.602,522 1.18,523 0.869,524 1.122,525 0.562,526 1.159,527 1.173,528 1.29,529 0.992,530 1.171,531 1.393,532 1.394,533 5.5,534 0.012,535 2.889,536 2.757,537 2.033,538 0.778,539 0.894,540 0.332,541 0.252,542 0.046,543 4736,544 11555,545 1.991,546 47.7,547 13,548 3,551 5,555 1.665,556 1.792,557 2.96,558 2.675,560 1,564 66.88,565 1.52,566 3.596,567 4.283,568 4.436,569 4.436,570 4.436,571 2.353,572 3.882,573 4.498,574 3.089,575 781.522,576 7.785,577 8640.85,579 1,581 1,582 240.215,583 1.55,584 4.413,585 0.22,586 0.012,587 0.078,588 0.071,589 0.053,590 0.025,591 0.031,592 0.012,593 0.014,594 0.007,595 0.523,596 0.17,597 0.88,598 0.899,599 104.694,600 -0.169,601 0.07,602 0.045,603 0.127,604 -0.317,605 0.089,606 0.529,607 0.264,608 0.312,609 0.231,610 0.425,611 0.249,612 -0.079,613 -0.048,614 0.079,615 0.076,616 -0.104,617 0.005,618 0.296,619 -0.131,620 -0.123,621 -0.224,622 0.268,623 -0.135,624 -0.328,625 -0.207,626 -0.371,627 -0.327,628 -0.239,629 -0.323,630 -0.255,631 0.246,632 -0.039,633 0.148,634 -0.213,635 0.121,636 0.042,637 -0.255,638 -0.086,639 -0.201,640 0.164,641 -0.153,642 -0.207,643 -0.354,644 -0.304,645 -0.386,646 -0.25,647 -0.462,648 1.477,649 2.102,650 0.652,651 15.762,652 0.992,653 1.13,654 4.273,655 18.261,656 0.677,657 3.258,658 3.638,659 3.932,660 4.263,661 4.454,662 4.554,663 4.663,664 4.736,665 4.691,666 4.654,667 4.927,668 0.625,669 327.5,670 3.258,671 4.828,672 5.7,673 6.616,674 7.51,675 8.431,676 9.335,677 10.257,678 11.167,679 12.09,680 11.4,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,718 44,719 16,720 1,721 25,723 46,724 17,725 12,726 3,727 3,729 3,730 4,734 4,741 12,742 5,743 1,754 1,757 21,758 4,759 5,760 6,761 1,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 4,810 23,811 2,819 1,820 1,836 12.833,837 9.067,838 4.944,839 2.589,840 3.199,841 1.455,842 1.002,843 4.256,844 10.222,845 3.526,846 4.23,847 4.876,848 5.539,849 6.061,850 6.408,851 6.788,852 7.211,853 7.395,854 7.656,855 1,856 39,857 8.453,859 3.535,860 7.616,861 16.313,863 13.374,865 2.116,866 48.667,869 1,870 188.338,871 116.694,872 116.151,876 32.22,877 84.474,878 188.338,879 116.151,880 35.301,882 94.223,883 35.286,884 31.588,885 4.227,886 220.557,888 188.338,889 200.625,891 32.22,893 188.338,897 56.823,898 110.231,899 33.571,900 32.22,901 188.338,902 116.151,903 116.694,906 188.338,907 52.964,908 63.73,909 16.786,910 99.365,911 188.338,912 116.151,913 116.694,915 0.599,916 0.355,917 0.203,918 0.109,919 19,920 10,921 0.065,922 3,923 1,924 1.133,925 3.298,926 192.352,927 0.133,928 15,929 92.042,930 1,933 16.154,934 6.06,935 2.909,936 1.579,937 99.365,938 6.325,939 8.42,940 3.382,943 6.574,945 82.58,946 421.182,947 33,956 43.654,957 49.733,958 0.278,959 0.659,960 0.784,961 0.813,962 0.813,963 0.813,964 4.787,965 1.37,966 5.733,967 4.867,968 4.317,969 4.916,970 2.913,971 6.616,972 4.211,973 6.05,974 0.834,975 7.343,976 3.305,977 4.111,978 4.956,980 7.662,981 3.972,982 7.398,983 0.42,984 9.051,985 2.246,986 5.979,987 7.249,988 5.027,989 10.806,990 5.781,991 8.783,992 -0.254,993 10.816,994 1.04,995 6.538,996 8.08,998 12.69,999 6.314,1000 10.199,1001 -0.347,1002 12.618,1003 -0.699,1004 7.954,1005 9.906,1006 7.185,1007 15.38,1008 7.68,1009 11.638,1010 -0.448,1011 14.446,1012 -0.757,1013 8.862,1014 11.114,1016 17.619,1017 8.559,1018 13.097,1019 -0.59,1020 16.295,1021 -1.207,1022 10.116,1023 12.757,1024 9.348,1025 20.157,1026 9.772,1027 3.328,1028 -1,1029 18.16,1030 -1.537,1031 11.179,1032 14.142,1034 22.541,1035 10.802,1036 2.961,1037 12.05,1038 20.039,1039 -2,1040 12.378,1041 15.713,1042 11.511,1043 25.033,1044 11.962,1045 2.555,1046 9.725,1047 21.928,1048 4.697,1049 13.509,1050 17.18,1052 27.474,1053 13.057,1054 2.085,1055 8.05,1056 23.825,1057 3.991,1058 14.692,1059 18.726,1060 13.675,1061 29.955,1062 14.203,1063 1.978,1064 6.242,1065 25.73,1066 3.363,1067 15.853,1068 20.23,1070 32.42,1071 15.327,1072 1.879,1073 5.661,1074 27.641,1075 2.836,1076 17.034,1077 21.768,1078 15.838,1079 34.9,1080 16.471,1081 1.744,1082 5.104,1083 29.557,1084 2.567,1085 18.209,1086 23.291,1088 37.377,1089 17.609,1090 4747,1091 7559,1092 15.838,1093 29.767,1094 38.64,1095 41.482,1096 40.848,1097 38.285,1098 38.305,1099 51.007,1100 5.9,1101 116.58,1102 36.183,1103 5.532,1104 6.613,1105 6.58,1106 5.443,1107 5.328,1108 7.697,1109 5.9,1110 19.249,1111 5.201,1112 14.18,1113 1.546,1114 1.659,1115 1.634,1116 1.531,1117 1.532,1118 2.04,1119 0.236,1120 4.663,1121 1.447,1122 4.124,1123 4.163,1124 4.199,1125 4.033,1126 5.318,1127 4.03,1128 3.915,1129 3.942,1130 3.917,1131 3.866,1132 4.981,1133 3.858,1134 3.576,1135 3.65,1136 3.52,1137 3.408,1138 4.772,1139 3.407,1140 3.334,1141 3.421,1142 3.345,1143 3.155,1144 4.685,1145 3.13,1146 3.266,1147 3.35,1148 3.067,1149 3.125,1150 4.19,1151 3.101,1152 3.087,1153 3.21,1154 3.034,1155 2.911,1156 4.024,1157 2.89,1158 3.055,1159 3.143,1160 2.955,1161 2.763,1162 3.966,1163 2.797,1164 2.874,1165 3.009,1166 2.743,1167 2.618,1168 3.794,1169 2.57,1170 0.19,1171 0.185,1172 0.281,1173 0.171,1174 0.133,1175 4.738,1176 0.188,1177 4.613,1178 0.118,1179 7.034,1180 0.482,1181 4.287,1182 0.128,1183 3.328,1184 4.697,1185 2.95,1186 12.05,1187 3.201,1188 1.934,1189 1.915,1190 2.034,1191 2.017,1192 1.234,1193 2.018,1194 1.853,1195 1.818,1196 1.972,1197 1.992,1198 1.179,1199 1.988,1200 1.65,1201 1.59,1202 1.79,1203 1.841,1204 0.825,1205 1.855,1206 1.303,1207 1.226,1208 1.639,1209 1.526,1210 0.719,1211 1.557,1212 1.282,1213 1.222,1214 1.45,1215 1.507,1216 0.548,1217 1.517,1218 1.087,1219 1.003,1220 1.417,1221 1.375,1222 0.492,1223 1.363,1224 1,1225 0.901,1226 1.402,1227 1.309,1228 0.469,1229 1.357,1230 0.934,1231 0.804,1232 1.266,1233 1.239,1235 1.308,1236 3.932,1238 5.293,1239 2.398,1240 6.845,1241 4.844,1242 8.493,1243 7.066,1244 10.191,1246 8.54,1250 11.834,1255 1.716,1256 0.296,1262 27.509,1263 66.88,1264 158.235,1265 188.441,1266 195.195,1267 195.195,1268 195.195,1269 32.824,1270 7.023,1271 93.61,1272 118.91,1273 17,1274 12.599,1275 4.087,1276 3.17,1277 36.511,1278 67,1279 61,1280 0.274,1281 176.271,1282 287.91,1283 421.86,1284 9082,1286 16.723,1287 0.727,1288 0.634,1289 17.077,1290 14.583,1291 10.88,1292 0.435,1293 0.335,1294 7.573,1295 10.192,1296 7.123,1297 6.034,1298 11.288,1299 8.384,1300 10.493,1301 0.284,1302 0.191,1303 11.109,1304 7.057,1305 8.4,1306 0.168,1307 0.105,1308 9.31,1309 5.265,1310 7.641,1311 0.109,1312 0.058,1313 8.614,1314 4.092,1315 5.75,1316 0.068,1317 0.032,1318 6.744,1319 2.712,1320 0.409,1321 71.164,1322 0.251,1323 21.845,1324 0.818,1325 124,1326 299.108,1327 158.672,1328 325.348,1329 460.95,1330 304,1331 149,1332 344.32,1333 182.047,1334 370.69,1335 546.7,1336 348,1337 4.83}
{0 CHEMBL478213,1 1.527,2 9.48,3 4.521,4 20.439,5 106.053,6 7.943,7 0.75,8 3.893,9 4.023,10 3.565,11 3.521,12 5.017,13 3.47,14 4.375,15 4.537,16 3.978,17 3.929,18 5.466,19 3.845,20 4.593,21 4.789,22 4.042,23 4.063,24 5.571,25 3.942,26 4.606,27 4.801,28 4.022,29 4.03,30 5.647,31 3.898,32 4.639,33 4.86,34 3.937,35 3.987,36 5.619,37 3.839,38 4.602,39 4.841,40 3.714,41 3.903,42 5.498,43 3.742,44 4.496,45 4.731,46 3.567,47 3.788,48 5.476,49 3.673,50 4.491,51 4.743,52 3.464,53 3.731,54 5.446,55 3.606,56 0.056,57 0.696,58 8.988,59 3.784,60 10.431,61 4.814,62 0.184,63 1.111,64 16.56,65 7.028,66 20.536,67 9.118,68 0.137,69 1.337,70 24.955,71 9.365,72 17.723,73 11.481,74 0.234,75 1.374,76 25.254,77 9.518,78 27.093,79 11.837,80 0.286,81 1.414,82 28.071,83 8.667,84 32.288,85 10.635,86 0.206,87 1.288,88 29.7,89 9.821,90 24.713,91 12.119,92 0.19,93 1.15,94 21.728,95 7.414,96 28.218,97 9.826,98 0.146,99 1.094,100 19.344,101 7.292,102 26.794,103 10.358,104 12,105 40,106 0.261,107 0.626,108 0.758,109 0.843,110 0.861,111 0.877,112 3.268,113 0.972,114 -5.82,115 -5.68,116 -5.29,119 43.2,120 1,121 2,139 7,140 4,141 1,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 13,169 1,170 2,172 3,173 4,175 4,178 18,180 1,182 2,187 2,189 16,191 1,193 3,195 1,196 2,197 3,198 5,200 4,201 10,204 2,205 1,207 3,212 6,215 10,218 3,221 4,226 5,229 9,231 3,234 4,239 5,241 10,243 3,246 4,251 6,254 9,256 5,260 4,265 4,268 6,270 4,273 884,274 17.11,275 17.11,276 17.11,277 17.11,278 17.11,279 14.616,280 12.186,281 10.123,282 17.522,283 13.835,284 13.835,285 13.835,286 13.835,287 13.835,288 10.041,289 12.36,290 4.758,291 14.561,292 3.933,293 1.803,294 1.026,295 0.534,296 0.426,297 0.335,298 3.967,301 1,302 1,303 520,304 2.739,306 47.83,307 180.853,310 93.373,311 99.736,314 1.341,315 16.299,317 1,318 0.75,319 0.83,320 1,321 0.6,322 0.5,323 1,324 1,325 0.81,326 52.5,327 237,328 4.713,329 4.579,330 6.924,331 4.237,332 3.281,333 4.684,334 2.95,335 11.672,336 3.144,337 4.406,338 3.399,339 6.186,340 3.911,341 2.923,342 4.336,344 9.24,345 2.893,346 3.895,347 2.961,348 5.812,349 3.447,350 2.542,351 3.373,353 7.96,354 2.297,355 3.611,356 2.746,357 5.271,358 3.163,359 2.237,360 3.027,362 6.629,363 2.051,364 3.427,365 2.359,366 5.121,367 2.936,368 2.012,369 2.81,371 6.007,372 1.852,373 3.218,374 2.005,375 4.943,376 2.776,377 1.835,378 2.487,380 5.501,381 1.721,382 3.118,383 1.943,384 4.428,385 2.618,386 1.618,387 2.427,389 4.373,390 1.618,391 2.896,392 1.618,393 4.344,394 2.441,395 1.484,396 2.083,398 3.867,399 1.416,400 2.666,401 1.46,402 3.617,403 2.34,404 1.368,405 1.703,407 2.993,408 1.313,409 2.185,410 0.974,411 3.325,412 1.865,413 0.899,414 1.037,415 1.708,416 0.865,417 2.076,418 0.896,419 3.18,420 1.688,421 0.698,422 1.021,423 1.621,424 0.688,425 1.374,426 0.555,427 2.955,428 0.967,429 0.074,430 0.092,431 0.195,432 0.064,433 1.136,434 0.345,435 2.714,436 0.777,437 -0.159,438 -0.192,439 -0.351,440 -0.148,441 1.001,442 0.012,443 2.489,444 0.571,445 -0.36,446 -0.474,448 -0.895,449 -0.331,450 0.882,451 -0.302,452 2.348,453 0.382,454 -0.579,455 -0.685,457 -1.334,458 -0.526,459 12.333,460 0.493,461 0.606,462 0.024,463 35.5,464 1.42,465 19.5,466 0.78,467 16,468 0.64,469 19.471,470 0.779,471 25.467,472 0.579,473 23.713,474 0.949,475 6.604,476 0.264,477 5.548,478 0.222,479 0.105,481 0.365,485 1.166,486 1.003,487 0.775,488 0.764,489 1.302,490 0.777,491 0.36,492 0.872,493 0.733,494 0.898,495 0.376,496 0.87,497 0.988,498 1.064,499 1.116,500 1.053,501 0.817,502 0.923,503 0.62,504 1.122,505 1.16,506 1.244,507 0.597,508 1.116,509 1.656,510 1.032,511 1.409,512 1.13,513 1.501,514 1.069,515 1.077,516 1.102,517 1.437,518 1.305,519 0.839,520 1.08,521 1.327,522 1.008,523 1.097,524 1.001,525 1.241,526 1.025,527 0.99,528 1.022,529 0.752,530 0.883,531 1.054,532 1.038,533 5,534 0.098,535 2.444,536 2.354,537 1.65,538 0.858,539 0.496,540 0.368,541 0.266,542 0.172,543 7003,544 17338,545 2.13,546 43.2,547 7,548 7,551 5,555 1.683,556 2,557 3.22,558 2.568,564 67.184,565 1.527,566 3.657,567 4.433,568 4.925,569 5.033,570 5.124,571 2.615,572 4.374,573 4.617,574 3.354,575 1006.17,576 7.999,577 11934.5,579 1,582 240.215,583 1.388,584 4.579,585 0.179,586 0.008,587 0.061,588 0.057,589 0.043,590 0.027,591 0.017,592 0.013,593 0.011,594 0.009,595 0.425,597 0.88,598 0.924,599 119.082,600 -0.187,601 0.115,602 0.041,603 0.149,604 -0.279,605 0.109,606 0.479,607 0.175,608 0.181,609 0.088,610 0.344,611 0.077,612 -0.067,613 -0.026,614 0.033,615 0.055,616 -0.037,617 0.063,618 0.334,619 -0.082,620 -0.015,621 -0.146,622 0.26,623 -0.138,624 -0.357,625 0.065,626 -0.176,627 -0.038,628 -0.36,629 -0.126,630 -0.107,631 -0.107,632 -0.18,633 -0.152,634 -0.003,635 -0.061,636 -0.247,637 -0.013,638 -0.197,639 -0.089,640 -0.164,641 -0.08,642 -0.081,643 -0.109,644 -0.041,645 -0.069,646 -0.041,647 -0.077,648 1.475,649 2.109,650 0.76,651 19.843,652 0.995,653 1.121,654 4.59,655 21.068,656 0.705,657 3.367,658 3.714,659 4.025,660 4.369,661 4.605,662 4.7,663 4.812,664 4.956,665 5.037,666 5.063,667 5.683,668 0.659,669 349.5,670 3.367,671 4.92,672 5.79,673 6.693,674 7.583,675 8.494,676 9.391,677 10.304,678 11.205,679 12.119,680 11.4,684 2,688 1,690 2,694 4,695 7,696 2,697 1,700 5,702 21,711 2,718 44,719 21,720 2,721 28,723 47,724 19,725 16,726 3,727 7,729 4,730 6,734 1,739 2,741 16,742 3,754 1,757 19,758 4,759 5,760 6,761 1,764 5,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,803 1,804 1,806 1,810 25,811 2,816 2,819 1,836 12.5,837 8.067,838 5.472,839 2.707,840 4.325,841 1.568,842 1.057,843 4.277,844 11.935,845 3.676,846 4.379,847 5.06,848 5.752,849 6.329,850 6.686,851 7.103,852 7.56,853 7.901,854 8.167,855 1,856 41,857 9.189,859 3.919,860 7.593,861 17.787,863 14.85,865 2.093,866 52.333,869 1,870 164.795,871 131.967,872 116.151,876 32.22,877 99.747,878 164.795,879 116.151,880 8.825,881 5.069,882 132.128,883 35.286,884 30.363,885 4.227,886 197.015,888 164.795,889 215.898,891 32.22,893 164.795,897 35.416,898 146.911,899 33.571,900 32.22,901 164.795,902 116.151,903 131.967,906 164.795,907 56.808,908 75.159,909 16.786,910 99.365,911 164.795,912 116.151,913 131.967,915 0.579,916 0.345,917 0.208,918 0.118,919 21,920 9,921 0.085,922 4,923 2,924 1.211,925 3.675,926 216.717,927 0.211,928 19,929 116.096,930 1,933 16.246,934 6.581,935 3.054,936 4.056,937 99.365,938 14.837,939 8.431,940 3.379,943 4.012,945 82.58,946 412.913,947 38.5,956 43.771,957 49.318,958 0.28,959 0.67,960 0.812,961 0.902,962 0.922,963 0.939,964 4.907,965 1.484,966 5.784,967 4.373,968 4.394,969 5.066,970 2.913,971 6.632,972 4.296,973 6.15,974 1.368,975 7.358,976 3.867,977 4.007,978 5.007,980 7.576,981 3.852,982 7.485,983 0.899,984 9.033,985 2.993,986 6.014,987 7.419,988 5.027,989 10.724,990 5.831,991 8.86,992 0.698,993 10.767,994 1.708,995 6.447,996 8.199,998 12.533,999 6.223,1000 10.267,1001 0.074,1002 12.541,1003 1.621,1004 7.935,1005 10.086,1006 7.185,1007 15.202,1008 7.685,1009 11.7,1010 -0.159,1011 14.343,1012 0.195,1013 8.764,1014 11.267,1016 17.387,1017 8.481,1018 13.152,1019 -0.36,1020 16.167,1021 -0.351,1022 10.045,1023 12.939,1024 9.348,1025 19.899,1026 9.734,1027 3.281,1028 -0.579,1029 18.008,1030 -0.895,1031 11.06,1032 14.31,1034 22.24,1035 10.716,1036 2.923,1037 11.672,1038 19.863,1039 -1.334,1040 12.262,1041 15.892,1042 11.511,1043 24.704,1044 11.887,1045 2.542,1046 9.24,1047 21.73,1048 4.684,1049 13.362,1050 17.349,1052 27.11,1053 12.951,1054 2.237,1055 7.96,1056 23.607,1057 4.336,1058 14.538,1059 18.896,1060 13.675,1061 29.562,1062 14.092,1063 2.012,1064 6.629,1065 25.492,1066 3.373,1067 15.677,1068 20.391,1070 31.994,1071 15.192,1072 1.835,1073 6.007,1074 27.384,1075 3.027,1076 16.846,1077 21.925,1078 15.838,1079 34.445,1080 16.323,1081 1.618,1082 5.501,1083 29.282,1084 2.81,1085 18.003,1086 23.438,1088 36.89,1089 17.439,1090 6638,1091 10594,1092 18.898,1093 31.006,1094 42.173,1095 44.827,1096 43.639,1097 41.979,1098 41.941,1099 58.16,1100 5.9,1101 123.53,1102 39.845,1103 5.503,1104 6.579,1105 6.682,1106 5.391,1107 5.281,1108 7.684,1109 5.9,1110 18.829,1111 5.144,1112 10.976,1113 1.506,1114 1.601,1115 1.559,1116 1.499,1117 1.498,1118 2.077,1119 0.211,1120 4.412,1121 1.423,1122 4.133,1123 4.168,1124 4.205,1125 4.076,1126 5.318,1127 4.063,1128 4.045,1129 4.071,1130 4.008,1131 3.962,1132 4.981,1133 3.973,1134 3.579,1135 3.655,1136 3.663,1137 3.449,1138 4.898,1139 3.42,1140 3.478,1141 3.519,1142 3.403,1143 3.408,1144 4.733,1145 3.388,1146 3.339,1147 3.42,1148 3.238,1149 3.135,1150 4.307,1151 3.14,1152 3.096,1153 3.216,1154 3.008,1155 2.961,1156 4.139,1157 2.946,1158 3.043,1159 3.093,1160 2.962,1161 2.789,1162 4.02,1163 2.815,1164 2.85,1165 2.972,1166 2.846,1167 2.657,1168 3.852,1169 2.615,1170 0.168,1171 0.164,1172 0.247,1173 0.151,1174 0.117,1175 4.713,1176 0.167,1177 4.579,1178 0.105,1179 6.924,1180 0.417,1181 4.237,1182 0.112,1183 3.281,1184 4.684,1185 2.95,1186 11.672,1187 3.144,1188 2.067,1189 2.05,1190 2.143,1191 2.112,1192 1.287,1193 2.128,1194 1.846,1195 1.811,1196 1.968,1197 2.015,1198 1.24,1199 1.985,1200 1.655,1201 1.599,1202 1.806,1203 1.841,1204 0.879,1205 1.861,1206 1.49,1207 1.452,1208 1.626,1209 1.605,1210 0.745,1211 1.631,1212 1.325,1213 1.264,1214 1.509,1215 1.523,1216 0.613,1217 1.531,1218 1.065,1219 1.017,1220 1.287,1221 1.382,1222 0.37,1223 1.365,1224 1.025,1225 0.93,1226 1.271,1227 1.27,1228 0.312,1229 1.285,1230 0.898,1231 0.774,1232 1.253,1233 1.192,1234 0.036,1235 1.227,1236 4.043,1238 5.38,1239 2.398,1240 6.919,1241 4.844,1242 8.557,1243 7.05,1244 10.246,1246 2.15,1250 11.853,1252 1.926,1255 1.69,1262 28.982,1263 67.184,1264 160.896,1265 195.054,1266 216.705,1267 221.46,1268 225.46,1269 30.733,1270 7.611,1271 93.61,1272 118.91,1273 23,1274 12.634,1275 4.459,1276 3.524,1277 35.819,1278 84,1279 83,1280 0.208,1281 182.207,1282 293.97,1283 436.346,1284 20623,1286 17.389,1287 0.696,1288 0.589,1289 17.742,1290 14.73,1291 12.152,1292 0.434,1293 0.324,1294 8.262,1295 11.435,1296 7.977,1297 6.66,1298 12.56,1299 9.073,1300 11.059,1301 0.276,1302 0.177,1303 11.728,1304 7.068,1305 9.292,1306 0.169,1307 0.095,1308 10.031,1309 5.245,1310 8.575,1311 0.11,1312 0.053,1313 9.442,1314 4.138,1315 6.937,1316 0.07,1317 0.031,1318 7.96,1319 3.112,1320 0.32,1321 78.798,1322 0.23,1323 23.933,1324 0.592,1325 136,1326 331.108,1327 170.672,1328 357.788,1329 509.75,1330 336,1331 163,1332 382.32,1333 192.707,1334 407.769,1335 602.65,1336 386,1337 5.42}
{0 CHEMBL478403,1 1.572,2 7.81,3 3.408,4 11.616,5 89.55,6 7.88,7 0.696,8 3.742,9 3.881,10 3.407,11 3.334,12 4.882,13 3.281,14 4.214,15 4.389,16 3.827,17 3.731,18 5.32,19 3.645,20 4.413,21 4.608,22 3.881,23 3.864,24 5.407,25 3.737,26 4.46,27 4.666,28 3.913,29 3.853,30 5.514,31 3.722,32 4.519,33 4.733,34 3.736,35 3.815,36 5.561,37 3.679,38 4.515,39 4.782,40 3.466,41 3.715,42 5.446,43 3.575,44 4.367,45 4.618,46 3.283,47 3.601,48 5.312,49 3.446,50 4.309,51 4.601,52 2.908,53 3.355,54 5.271,55 3.171,56 0.051,57 0.622,58 8.147,59 3.251,60 10.416,61 4.209,62 0.178,63 0.969,64 15.068,65 6.058,66 20.752,67 7.871,68 0.119,69 1.144,70 21.856,71 7.782,72 15.399,73 9.482,74 0.219,75 1.194,76 23.28,77 8.231,78 25.396,79 10.247,80 0.292,81 1.253,82 27.581,83 7.331,84 30.769,85 9.001,86 0.264,87 1.107,88 23.514,89 7.13,90 34.171,91 10.019,92 0.104,93 0.939,94 19.063,95 7.091,96 22.123,97 9.813,98 0.169,99 0.831,100 17.574,101 5.758,102 33.779,103 8.507,104 18,105 33,106 0.281,107 0.655,108 0.733,109 0.788,110 0.801,111 0.801,112 3.105,113 0.985,114 -5.01,115 -4.91,116 -4.6,119 39.5,120 2,122 1,139 5,140 2,141 1,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 8,169 1,170 2,172 3,173 4,175 4,178 11,180 1,182 2,187 2,189 8,191 1,193 3,195 1,196 2,197 3,198 6,200 4,201 5,204 2,205 1,207 5,212 6,215 6,218 4,221 2,226 3,229 9,231 2,234 4,239 4,241 6,243 4,246 3,251 4,254 2,256 4,260 1,265 3,270 3,273 529,274 13.93,275 13.93,276 13.93,277 13.93,278 13.93,279 11.977,280 13.399,281 8.193,282 14.343,283 11.379,284 11.379,285 11.379,286 11.379,287 11.379,288 8.422,289 13.831,290 3.913,291 12.106,292 3.676,293 1.592,294 1.155,295 0.849,296 0.777,297 0.777,298 3.78,300 1,301 1,302 1,303 349,304 2.739,306 40.693,307 113.785,310 79.036,314 1.093,315 14.694,316 1,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 44.5,327 164,328 4.736,329 4.58,330 7.032,331 4.284,332 3.323,333 4.696,334 2.95,335 12.043,336 3.2,337 3.984,338 3.439,339 5.943,340 3.55,341 2.636,342 3.507,344 8.242,345 2.418,346 3.812,347 2.911,348 5.421,349 3.395,350 2.448,351 3.308,353 7.054,354 2.306,355 3.454,356 2.569,357 5.147,358 2.985,359 2.059,360 2.833,362 6.093,363 1.897,364 3.296,365 2.12,366 4.97,367 2.915,368 1.977,369 2.56,371 5.635,372 1.843,373 3.003,374 2.011,375 4.694,376 2.624,377 1.705,378 2.135,380 4.669,381 1.544,382 2.78,383 1.719,384 3.794,385 2.331,386 1.366,387 1.874,389 3.005,390 1.306,391 2.5,392 1,393 3.591,394 2,395 1,396 1.5,398 2.243,399 1,400 2.142,401 0.925,402 3.247,403 1.78,404 0.828,405 1.049,407 2.136,408 0.785,409 1.286,410 0.626,411 2.904,412 0.846,413 -0.013,414 -0.016,415 -0.036,416 -0.011,417 1.069,418 0.298,419 2.709,420 0.642,421 -0.28,422 -0.362,423 -0.766,424 -0.257,425 0.815,426 -0.156,427 2.481,428 0.408,429 -0.504,430 -0.614,431 -1.25,432 -0.459,433 0.541,434 -0.317,435 2.223,436 0.151,437 -0.775,438 -0.947,439 -1.884,440 -0.696,441 0.5,442 -0.866,443 1.781,445 -1,446 -1,448 -2,449 -1,450 0.198,451 -1,452 1.574,454 -1,455 -1.471,457 -2.347,458 -1,459 10.333,460 0.492,461 0.613,462 0.029,463 29,464 1.381,465 15.5,466 0.738,467 13.5,468 0.643,469 16.437,470 0.783,471 22.067,472 0.581,473 18.553,474 0.883,475 5.372,476 0.256,477 4.686,478 0.223,479 0.174,481 0.387,485 1.199,486 1.084,487 0.791,488 0.793,489 1.373,490 0.81,491 0.348,492 0.878,493 0.701,494 0.881,495 0.351,496 0.839,497 1.04,498 1.174,499 1.189,500 1.142,501 0.883,502 0.989,503 0.577,504 1.14,505 1.102,506 1.219,507 0.52,508 1.046,509 1.829,510 1.239,511 1.742,512 1.421,513 1.441,514 1.226,515 1.323,516 0.828,517 1.004,518 0.864,519 1.27,520 0.961,521 0.709,522 1.133,523 0.914,524 1.113,525 0.719,526 1.167,527 1.118,528 0.998,529 0.831,530 0.908,531 1.422,532 1.138,533 4.5,534 0.012,535 1.778,536 2.257,537 1.651,538 0.778,539 0.538,540 0.227,541 0.14,542 0.046,543 3874,544 10141,545 2.045,546 44.7,547 7,548 5,551 5,555 1.638,556 1.881,557 2.952,558 2.798,560 1,562 1,564 59.721,565 1.572,566 3.656,567 4.093,568 4.399,569 4.471,570 4.471,571 2.398,572 3.654,573 4.363,574 3.062,575 643.063,576 7.51,577 6638.51,578 1,579 1,580 1,581 1,582 199.421,583 1.51,584 4.305,585 0.196,586 0.012,587 0.054,588 0.068,589 0.05,590 0.029,591 0.023,592 0.011,593 0.012,594 0.009,595 0.465,596 0.33,597 1,598 0.874,599 92.663,600 -0.211,601 0.081,602 0.038,603 0.148,604 -0.334,605 0.105,606 0.51,607 0.202,608 0.237,609 0.134,610 0.386,611 0.134,612 -0.104,613 -0.095,614 -0.006,615 0.008,616 -0.102,617 0.004,618 0.382,619 -0.083,620 0.071,621 -0.088,622 0.333,623 -0.053,624 -0.476,625 -0.097,626 -0.448,627 -0.291,628 -0.312,629 -0.301,630 -0.268,631 0.123,632 -0.125,633 0.021,634 -0.243,635 -0.012,636 0.006,637 -0.245,638 -0.106,639 -0.207,640 0.092,641 -0.167,642 -0.155,643 -0.144,644 -0.112,645 -0.132,646 -0.197,647 -0.188,648 1.479,649 2.042,650 0.714,651 14.753,652 0.997,653 1.129,654 3.781,655 14.293,656 0.691,657 3.178,658 3.526,659 3.807,660 4.159,661 4.357,662 4.431,663 4.522,664 4.585,665 4.511,666 4.419,667 4.749,668 0.644,669 299.44,670 3.178,671 4.727,672 5.587,673 6.494,674 7.38,675 8.295,676 9.194,677 10.113,678 11.019,679 11.94,680 13.2,684 2,688 1,690 2,694 2,695 5,696 2,697 1,700 5,702 16,711 2,718 38,719 16,720 1,721 23,723 40,724 15,725 12,726 1,727 5,729 3,730 4,734 2,741 12,742 3,743 1,753 1,754 1,757 17,758 4,759 5,760 6,761 1,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 2,810 21,811 2,819 1,820 1,836 11.167,837 7.233,838 4.556,839 2.186,840 3.086,841 1.453,842 1.016,843 3.783,844 9.897,845 3.466,846 4.139,847 4.78,848 5.462,849 5.99,850 6.315,851 6.712,852 7.121,853 7.276,854 7.501,855 1,856 33,857 7.702,859 3.237,860 7.659,861 14.764,863 12.078,865 2.159,866 45.333,870 141.253,871 111.625,872 116.151,876 32.22,877 79.405,878 141.253,879 116.151,880 17.65,882 113.176,883 35.286,884 25.217,885 4.227,886 173.473,888 141.253,889 195.556,891 32.22,893 141.253,897 39.172,898 122.813,899 33.571,900 32.22,901 141.253,902 116.151,903 111.625,906 141.253,907 46.593,908 65.032,909 16.786,910 99.365,911 141.253,912 116.151,913 111.625,915 0.586,916 0.339,917 0.202,918 0.113,919 17,920 8,921 0.075,922 3,923 1,924 1.133,925 3.227,926 166.887,927 0.133,928 15,929 86.239,930 1,933 14.233,934 5.582,935 2.712,936 1.569,937 99.365,938 10.189,939 8.34,940 3.328,943 3.949,945 82.58,946 369.029,947 31,956 37.887,957 42.903,958 0.299,959 0.697,960 0.78,961 0.838,962 0.852,963 0.852,964 4.7,965 1,966 5.595,967 3.005,968 4.205,969 4.824,970 2.913,971 6.45,972 4.084,973 5.94,974 0.828,975 7.177,976 2.243,977 3.892,978 4.745,980 7.445,981 3.715,982 7.268,983 -0.013,984 8.862,985 2.136,986 5.826,987 7.127,988 5.027,989 10.606,990 5.601,991 8.636,992 -0.28,993 10.609,994 -0.036,995 6.312,996 7.885,998 12.491,999 6.05,1000 10.038,1001 -0.504,1002 12.399,1003 -0.766,1004 7.769,1005 9.765,1006 7.185,1007 15.195,1008 7.466,1009 11.467,1010 -0.775,1011 14.219,1012 -1.25,1013 8.638,1014 10.941,1016 17.457,1017 8.308,1018 12.918,1019 -1,1020 16.064,1021 -1.884,1022 9.915,1023 12.616,1024 9.348,1025 20.011,1026 9.55,1027 3.323,1028 -1,1029 17.929,1030 -2,1031 10.966,1032 13.995,1034 22.418,1035 10.573,1036 2.636,1037 12.043,1038 19.81,1039 -2.347,1040 12.179,1041 15.587,1042 11.511,1043 24.926,1044 11.755,1045 2.448,1046 8.242,1047 21.704,1048 4.696,1049 13.311,1050 17.06,1052 27.385,1053 12.857,1054 2.059,1055 7.054,1056 23.609,1057 3.507,1058 14.507,1059 18.62,1060 13.675,1061 29.878,1062 14.021,1063 1.977,1064 6.093,1065 25.522,1066 3.308,1067 15.675,1068 20.134,1070 32.356,1071 15.157,1072 1.705,1073 5.635,1074 27.443,1075 2.833,1076 16.868,1077 21.685,1078 15.838,1079 34.846,1080 16.316,1081 1.366,1082 4.669,1083 29.369,1084 2.56,1085 18.053,1086 23.217,1088 37.33,1089 17.467,1090 3843,1091 6345,1092 15.027,1093 26.245,1094 35.153,1095 37.382,1096 36.097,1097 34.821,1098 34.685,1099 46.924,1100 5.9,1101 102.238,1102 32.599,1103 5.513,1104 6.58,1105 6.834,1106 5.428,1107 5.323,1108 7.696,1109 5.9,1110 19.228,1111 5.2,1112 10.837,1113 1.528,1114 1.625,1115 1.569,1116 1.514,1117 1.508,1118 2.04,1119 0.257,1120 4.445,1121 1.417,1122 4.121,1123 4.16,1124 4.191,1125 4.023,1126 5.318,1127 4.023,1128 3.86,1129 3.889,1130 3.879,1131 3.813,1132 4.981,1133 3.799,1134 3.575,1135 3.65,1136 3.507,1137 3.408,1138 4.782,1139 3.407,1140 3.334,1141 3.421,1142 3.341,1143 3.155,1144 4.695,1145 3.13,1146 3.087,1147 3.21,1148 3.032,1149 2.826,1150 4.19,1151 2.812,1152 2.874,1153 3.009,1154 2.954,1155 2.739,1156 4.024,1157 2.752,1158 2.866,1159 2.925,1160 2.687,1161 2.735,1162 3.682,1163 2.715,1164 2.854,1165 2.907,1166 2.499,1167 2.618,1168 3.674,1169 2.57,1170 0.206,1171 0.199,1172 0.306,1173 0.186,1174 0.144,1175 4.736,1176 0.204,1177 4.58,1178 0.128,1179 7.032,1180 0.524,1181 4.284,1182 0.139,1183 3.323,1184 4.696,1185 2.95,1186 12.043,1187 3.2,1188 1.886,1189 1.865,1190 1.988,1191 2.017,1192 1.224,1193 1.991,1194 1.848,1195 1.813,1196 1.968,1197 1.946,1198 1.062,1199 1.97,1200 1.648,1201 1.588,1202 1.79,1203 1.839,1204 0.825,1205 1.853,1206 1.282,1207 1.222,1208 1.417,1209 1.526,1210 0.547,1211 1.517,1212 1.001,1213 0.903,1214 1.403,1215 1.375,1216 0.469,1217 1.357,1218 0.934,1219 0.821,1220 1.267,1221 1.239,1222 0.218,1223 1.308,1224 0.886,1225 0.808,1226 1.181,1227 1.138,1228 0.161,1229 1.153,1230 0.869,1231 0.804,1232 1.107,1233 1.062,1235 1.107,1236 3.85,1238 5.187,1239 2.398,1240 6.718,1241 4.844,1242 8.345,1243 7.066,1244 10.027,1246 4.265,1250 11.726,1255 1.663,1256 0.305,1262 24.455,1263 59.721,1264 138.941,1265 155.547,1266 167.157,1267 169.911,1268 169.911,1269 26.993,1270 6.811,1271 93.61,1272 118.91,1273 17,1274 12.451,1275 4.087,1276 3.17,1277 31.929,1278 59,1279 61,1280 0.275,1281 157.086,1282 253.31,1283 375.05,1284 6938,1286 14.983,1287 0.713,1288 0.607,1289 15.336,1290 12.738,1291 10.059,1292 0.437,1293 0.328,1294 6.74,1295 9.341,1296 6.431,1297 5.409,1298 10.467,1299 7.551,1300 9.448,1301 0.286,1302 0.188,1303 10.117,1304 6.212,1305 7.406,1306 0.168,1307 0.097,1308 8.147,1309 4.275,1310 6.927,1311 0.11,1312 0.056,1313 7.852,1314 3.503,1315 5.366,1316 0.07,1317 0.031,1318 6.279,1319 2.374,1320 0.411,1321 66.236,1322 0.258,1323 20.311,1324 0.821,1325 112,1326 283.108,1327 146.672,1328 307.99,1329 434.75,1330 288,1331 133,1332 322.32,1333 162.707,1334 345.69,1335 508.94,1336 326,1337 5.699}
{0 CHEMBL478404,1 1.67,2 9.348,3 3.392,4 11.504,5 96.013,6 7.845,7 0.64,8 3.844,9 3.976,10 3.497,11 3.392,12 4.993,13 3.352,14 4.328,15 4.504,16 3.908,17 3.78,18 5.435,19 3.712,20 4.487,21 4.663,22 3.978,23 3.932,24 5.521,25 3.826,26 4.576,27 4.77,28 3.993,29 3.958,30 5.637,31 3.832,32 4.664,33 4.891,34 3.85,35 3.921,36 5.668,37 3.777,38 4.615,39 4.888,40 3.59,41 3.802,42 5.518,43 3.652,44 4.427,45 4.66,46 3.435,47 3.679,48 5.395,49 3.529,50 4.392,51 4.659,52 3.202,53 3.455,54 5.389,55 3.327,56 0.055,57 0.669,58 9.082,59 3.674,60 11.13,61 4.669,62 0.243,63 1.027,64 17.48,65 6.68,66 25.483,67 8.413,68 0.161,69 1.211,70 22.962,71 8.195,72 17.262,73 9.846,74 0.25,75 1.307,76 25.332,77 9.119,78 28.466,79 11.353,80 0.346,81 1.373,82 31.504,83 8.52,84 35.038,85 11.048,86 0.307,87 1.187,88 26.795,89 8.077,90 36.77,91 11.405,92 0.17,93 0.998,94 22.73,95 7.923,96 22.977,97 10.431,98 0.203,99 0.886,100 18.637,101 5.894,102 34.512,103 8.644,104 30,105 36,106 0.293,107 0.667,108 0.769,109 0.803,110 0.803,111 0.803,112 3.189,113 0.969,114 -4.49,115 -4.42,116 -4.16,119 38.1,120 2,122 1,124 1,139 4,140 2,141 2,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 6,169 1,170 4,172 3,173 4,175 4,178 9,180 1,182 4,187 2,189 8,191 1,193 3,195 1,196 2,197 3,198 6,200 4,201 4,204 2,205 1,207 6,212 6,215 6,218 4,221 2,226 2,229 8,231 2,234 5,237 1,239 4,241 4,243 4,246 4,251 4,256 4,259 1,260 2,265 2,270 2,273 720,274 15.248,275 15.248,276 15.248,277 15.248,278 15.248,279 13.322,280 17.712,281 8.778,282 15.839,283 12.272,284 12.272,285 12.272,286 12.272,287 12.272,288 9.25,289 18.482,290 4.087,291 13.191,292 3.722,293 1.591,294 1.006,295 0.816,296 0.816,297 0.816,298 3.864,300 1,301 1,302 1,303 455,304 3,306 47.276,307 130.531,310 91.792,314 1.319,315 17.824,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 49.5,327 215,328 4.736,329 4.58,330 7.032,331 4.284,332 3.323,333 4.696,334 2.95,335 12.043,336 3.2,337 4.059,338 3.441,339 5.944,340 3.611,341 2.686,342 3.651,343 0.86,344 8.251,345 2.489,346 3.887,347 2.937,348 5.505,349 3.484,350 2.539,351 3.364,353 7.324,354 2.397,355 3.517,356 2.765,357 5.251,358 3.121,359 2.22,360 2.856,362 6.506,363 1.975,364 3.414,365 2.557,366 5.078,367 2.943,368 2.018,369 2.75,371 5.983,372 1.862,373 3.276,374 2.12,375 4.966,376 2.909,377 1.973,378 2.516,380 5.618,381 1.832,382 2.891,383 2.006,384 4.67,385 2.529,386 1.611,387 1.967,389 4.594,390 1.461,391 2.5,392 1.307,393 3.793,394 2,395 1,396 1.5,398 2.275,399 1,400 2.142,401 1,402 3.414,403 1.784,404 0.833,405 1.05,407 2.247,408 0.788,409 1.743,410 0.924,411 3.067,412 1.436,413 0.583,414 0.653,415 0.997,416 0.491,417 1.243,418 0.688,419 2.728,420 0.839,421 -0.011,422 -0.013,423 -0.024,424 -0.009,425 1.064,426 0.354,427 2.634,428 0.644,429 -0.276,430 -0.358,431 -0.741,432 -0.253,433 0.82,434 -0.156,435 2.473,436 0.42,437 -0.494,438 -0.602,439 -1.227,440 -0.45,441 0.596,442 -0.317,443 2.217,444 0.229,445 -0.673,446 -0.794,448 -1.551,449 -0.592,450 0.5,451 -0.512,452 2,454 -1,455 -1,457 -2,458 -0.96,459 11.167,460 0.486,461 0.682,462 0.03,463 31,464 1.348,465 16,466 0.696,467 15,468 0.652,469 18.832,470 0.819,471 24.833,472 0.591,473 21.048,474 0.915,475 5.857,476 0.255,477 5.134,478 0.223,479 0.206,481 0.403,485 1.094,486 1.168,487 0.79,488 0.883,489 1.302,490 0.863,491 0.82,492 0.825,493 0.705,494 0.804,495 0.504,496 0.756,497 1.082,498 1.204,499 1.203,500 1.154,501 0.91,502 1,503 0.661,504 1.192,505 1.137,506 1.263,507 0.618,508 1.133,509 1.131,510 1.222,511 1.53,512 1.374,513 1.227,514 1.21,515 0.907,516 0.824,517 0.981,518 0.865,519 1.107,520 0.929,521 0.579,522 1.228,523 1.198,524 1.348,525 0.666,526 1.219,527 1.143,528 1.07,529 0.822,530 0.931,531 1.423,532 1.111,533 5.5,534 0.065,535 2.222,536 2.319,537 1.882,538 0.896,539 0.618,540 0.28,541 0.262,542 0.157,543 5092,544 14147,545 2.016,546 45.2,547 7,548 7,551 5,555 1.661,556 1.84,557 3.155,558 2.718,559 1,560 1,562 1,564 70.157,565 1.67,566 3.801,567 4.386,568 4.576,569 4.576,570 4.576,571 2.644,572 4.089,573 4.491,574 3.293,575 833.09,576 7.753,577 9210.93,578 1,579 1,581 1,582 226.477,583 1.538,584 4.428,585 0.22,586 0.008,587 0.062,588 0.063,589 0.052,590 0.031,591 0.025,592 0.012,593 0.015,594 0.013,595 0.501,597 1,598 0.982,599 106.161,600 -0.158,601 0.023,602 0.044,603 0.096,604 -0.294,605 0.077,606 0.22,607 0.254,608 0.251,609 0.228,610 0.317,611 0.223,612 -0.15,613 -0.08,614 -0.035,615 0.017,616 -0.107,617 -0.001,618 0.166,619 -0.107,620 -0.008,621 -0.126,622 0.202,623 -0.127,624 -0.234,625 -0.107,626 -0.296,627 -0.249,628 -0.237,629 -0.246,630 -0.135,631 0.135,632 -0.04,633 0.07,634 -0.17,635 0.05,636 0.098,637 -0.266,638 -0.183,639 -0.287,640 0.123,641 -0.188,642 -0.131,643 -0.178,644 -0.097,645 -0.159,646 -0.221,647 -0.177,648 1.493,649 2.063,650 0.652,651 17.97,652 1.002,653 1.132,654 3.258,655 10.615,656 0.678,657 3.258,658 3.611,659 3.892,660 4.22,661 4.431,662 4.522,663 4.605,664 4.682,665 4.691,666 4.691,667 5.378,668 0.636,669 329.47,670 3.258,671 4.812,672 5.673,673 6.578,674 7.463,675 8.375,676 9.272,677 10.188,678 11.092,679 12.009,680 11.9,684 2,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,716 1,718 42,719 16,720 1,721 25,723 44,724 16,725 12,726 2,727 4,729 3,730 4,734 2,741 12,742 4,743 1,753 1,754 1,757 19,758 5,759 5,760 7,761 1,764 5,769 0.667,770 1,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 3,810 23,811 2,818 1,819 1,820 1,829 2.4,834 1,836 12.5,837 8.317,838 5.056,839 2.339,840 3.126,841 1.445,842 0.995,843 4.481,844 10.148,845 3.526,846 4.201,847 4.841,848 5.509,849 6.048,850 6.383,851 6.762,852 7.169,853 7.376,854 7.673,855 1,856 37,857 8.428,859 3.51,860 7.696,861 16.073,863 12.966,865 2.196,866 50.5,869 1,870 164.795,871 118.275,872 116.151,874 11,876 32.22,877 86.055,878 175.795,879 116.151,880 28.533,882 103.699,883 35.286,884 41.46,885 4.227,886 197.015,888 164.795,889 202.206,890 11,891 32.22,893 164.795,894 11,897 39.172,898 129.463,899 33.571,900 32.22,901 164.795,902 127.151,903 118.275,906 164.795,907 51.836,908 66.438,909 16.786,910 110.365,911 164.795,912 127.151,913 118.275,915 0.587,916 0.346,917 0.197,918 0.11,919 18,920 9,921 0.091,922 4,923 1,924 1.133,925 3.396,926 187.349,927 0.133,928 15,929 98.042,930 1,933 16.117,934 6.395,935 3.152,936 1.528,937 110.365,938 7.906,939 8.353,940 3.325,943 4.628,945 82.58,946 410.221,947 33,956 42.098,957 47.527,958 0.31,959 0.705,960 0.813,961 0.849,962 0.849,963 0.849,964 4.771,965 1,966 5.687,967 4.594,968 4.29,969 4.887,970 2.99,971 6.541,972 4.157,973 6.014,974 0.833,975 7.273,976 2.275,977 4.007,978 4.856,980 7.535,981 3.826,982 7.347,983 0.583,984 8.957,985 2.247,986 5.922,987 7.193,988 5.034,989 10.668,990 5.682,991 8.719,992 -0.011,993 10.699,994 0.997,995 6.415,996 7.972,998 12.533,999 6.144,1000 10.122,1001 -0.276,1002 12.48,1003 -0.024,1004 7.854,1005 9.825,1006 7.185,1007 15.224,1008 7.538,1009 11.549,1010 -0.494,1011 14.291,1012 -0.741,1013 8.717,1014 11.002,1016 17.473,1017 8.377,1018 12.997,1019 -0.673,1020 16.126,1021 -1.227,1022 9.981,1023 12.661,1024 9.348,1025 20.023,1026 9.605,1027 3.323,1028 -1,1029 17.981,1030 -1.551,1031 11.022,1032 14.036,1034 22.425,1035 10.621,1036 2.686,1037 12.043,1038 19.853,1039 -2,1040 12.227,1041 15.619,1042 11.511,1043 24.93,1044 11.794,1045 2.539,1046 8.251,1047 21.739,1048 4.696,1049 13.351,1050 17.087,1052 27.387,1053 12.89,1054 2.22,1055 7.324,1056 23.637,1057 3.651,1058 14.54,1059 18.643,1060 13.675,1061 29.88,1062 14.047,1063 2.018,1064 6.506,1065 25.545,1066 3.364,1067 15.703,1068 20.153,1070 32.357,1071 15.178,1072 1.973,1073 5.983,1074 27.461,1075 2.856,1076 16.891,1077 21.699,1078 15.838,1079 34.846,1080 16.334,1081 1.611,1082 5.618,1083 29.383,1084 2.75,1085 18.071,1086 23.229,1088 37.33,1089 17.481,1090 5077,1091 8591,1092 16.126,1093 28.461,1094 37.93,1095 40.643,1096 39.84,1097 37.64,1098 37.571,1099 50.006,1100 7.62,1101 111.675,1102 34.99,1103 5.521,1104 6.58,1105 6.585,1106 5.436,1107 5.323,1108 7.696,1109 5.9,1110 19.229,1111 5.2,1112 13.292,1113 1.517,1114 1.626,1115 1.594,1116 1.506,1117 1.503,1118 2,1119 0.305,1120 4.467,1121 1.4,1122 4.121,1123 4.161,1124 4.192,1125 4.023,1126 5.318,1127 4.024,1128 3.877,1129 3.896,1130 3.892,1131 3.815,1132 4.981,1133 3.807,1134 3.576,1135 3.65,1136 3.532,1137 3.408,1138 4.866,1139 3.407,1140 3.346,1141 3.427,1142 3.365,1143 3.17,1144 4.734,1145 3.144,1146 3.231,1147 3.302,1148 3.102,1149 2.954,1150 4.355,1151 2.968,1152 3.087,1153 3.21,1154 2.958,1155 2.771,1156 4.188,1157 2.8,1158 2.874,1159 3.009,1160 2.87,1161 2.735,1162 4.015,1163 2.715,1164 2.854,1165 2.925,1166 2.687,1167 2.686,1168 3.674,1169 2.639,1170 0.189,1171 0.183,1172 0.281,1173 0.171,1174 0.133,1175 4.736,1176 0.188,1177 4.58,1178 0.118,1179 7.032,1180 0.482,1181 4.284,1182 0.128,1183 3.323,1184 4.696,1185 2.95,1186 12.043,1187 3.2,1188 1.882,1189 1.866,1190 1.977,1191 2.017,1192 1.224,1193 1.991,1194 1.847,1195 1.813,1196 1.953,1197 1.956,1198 1.063,1199 1.967,1200 1.648,1201 1.589,1202 1.79,1203 1.84,1204 0.825,1205 1.853,1206 1.29,1207 1.235,1208 1.566,1209 1.538,1210 0.585,1211 1.544,1212 1.177,1213 1.098,1214 1.417,1215 1.487,1216 0.53,1217 1.494,1218 1,1219 0.902,1220 1.4,1221 1.374,1222 0.469,1223 1.357,1224 0.934,1225 0.821,1226 1.266,1227 1.239,1228 0.218,1229 1.308,1230 0.886,1231 0.804,1232 1.181,1233 1.132,1234 0.068,1235 1.145,1236 3.932,1238 5.273,1239 2.398,1240 6.806,1241 4.844,1242 8.433,1243 7.066,1244 10.112,1246 5.898,1250 11.765,1254 5.193,1255 1.627,1256 0.277,1262 26.697,1263 70.157,1264 159.648,1265 184.213,1266 192.213,1267 192.213,1268 192.213,1269 31.952,1270 7.022,1271 102.84,1272 128.14,1273 17,1274 12.522,1275 4.087,1276 3.17,1277 36.731,1278 72,1279 91,1280 0.253,1281 170.675,1282 279.4,1283 408.206,1284 9178,1286 16.56,1287 0.72,1288 0.612,1289 16.914,1290 14.069,1291 10.99,1292 0.44,1293 0.323,1294 7.221,1295 10.116,1296 6.867,1297 5.784,1298 11.399,1299 8.074,1300 10.239,1301 0.284,1302 0.183,1303 10.908,1304 6.575,1305 8.225,1306 0.171,1307 0.096,1308 8.966,1309 4.591,1310 7.38,1311 0.11,1312 0.054,1313 8.278,1314 3.637,1315 5.754,1316 0.069,1317 0.03,1318 6.717,1319 2.504,1320 0.386,1321 72.942,1322 0.249,1323 22.219,1324 0.726,1325 122,1326 338.844,1327 159.55,1328 354.291,1329 495.1,1330 332,1331 145,1332 362.866,1333 177.365,1334 386.228,1335 566.44,1336 362,1337 5.721}
{0 CHEMBL48203,1 1.712,2 10.08,3 2.822,4 7.964,5 103.355,6 8.042,7 0.444,8 3.922,9 4.062,10 3.543,11 3.388,12 5.07,13 3.385,14 4.436,15 4.626,16 3.896,17 3.757,18 5.537,19 3.729,20 4.647,21 4.869,22 3.998,23 3.883,24 5.72,25 3.839,26 4.599,27 4.814,28 3.921,29 3.85,30 5.746,31 3.79,32 4.628,33 4.863,34 3.845,35 3.836,36 5.731,37 3.77,38 4.661,39 4.911,40 3.865,41 3.869,42 5.685,43 3.757,44 4.639,45 4.892,46 3.912,47 3.796,48 5.695,49 3.665,50 4.433,51 4.668,52 3.607,53 3.564,54 5.485,55 3.433,56 0.128,57 0.708,58 8.842,59 3.509,60 12.919,61 4.819,62 0.347,63 1.034,64 17.822,65 6.058,66 27.959,67 8.37,68 0.504,69 1.187,70 25.263,71 6.404,72 37.207,73 9.716,74 0.411,75 1.178,76 23.396,77 6.416,78 41.663,79 9.799,80 0.449,81 1.186,82 22.728,83 5.919,84 44.314,85 9.49,86 0.38,87 1.118,88 25.511,89 7.879,90 42.005,91 11.646,92 0.513,93 0.937,94 32.342,95 8.189,96 53.124,97 11.883,98 0.535,99 0.74,100 29.746,101 6.788,102 44.237,103 9.228,104 18,105 37,106 0.297,107 0.662,108 0.802,109 0.836,110 0.836,111 0.836,112 3.267,113 0.936,114 -4.04,115 -3.99,116 -3.77,119 35.6,120 1,121 1,125 4,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 4,172 3,173 3,175 1,178 6,180 1,181 1,182 7,187 1,189 6,191 1,192 1,193 11,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 1,207 8,212 4,215 4,218 4,220 2,221 3,223 1,224 1,226 2,229 1,231 2,233 2,234 5,236 1,237 1,239 2,241 1,243 2,245 2,246 5,248 2,249 2,254 1,260 3,262 1,263 1,265 1,270 1,273 895,274 16.87,275 16.87,276 16.87,277 16.87,278 16.87,279 15.197,280 22.859,281 9.989,282 17.431,283 13.26,284 13.26,285 13.26,286 13.26,287 13.26,288 10.66,289 28.211,290 4.665,291 14.201,292 3.78,293 1.68,294 0.878,295 0.683,296 0.683,297 0.683,298 3.947,299 1,300 1,301 1,302 1,303 533,304 2.646,307 249.897,314 1.523,315 25.127,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 54.833,327 252,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.86,335 11.076,336 3.094,337 4.184,338 3.112,339 6.048,340 3.729,341 2.797,342 3.815,343 0.4,344 8.676,345 2.588,346 3.653,347 2.801,348 5.341,349 3.436,350 2.499,351 3.013,353 6.956,354 2.336,355 3.556,356 2.385,357 5.298,358 3.179,359 2.256,360 2.666,362 6.608,363 2.069,364 3.3,365 2.226,366 5.038,367 2.932,368 1.985,369 2.548,371 5.702,372 1.876,373 3.112,374 2.144,375 4.756,376 2.685,377 1.736,378 2.326,380 4.932,381 1.641,382 2.96,383 1.952,384 4.238,385 2.509,386 1.607,387 2.076,389 3.985,390 1.403,391 2.586,392 1.791,393 3.629,394 2.31,395 1.414,396 1.563,398 3.106,399 1.25,400 2.136,401 1.256,402 3.328,403 1.952,404 1,405 1,407 2.136,408 0.946,409 2,410 0.844,411 3.247,412 1.605,413 0.658,414 0.908,415 1.516,416 0.609,417 1.748,418 0.697,419 3.137,420 1.538,421 0.563,422 0.644,423 1.109,424 0.544,425 1.389,426 0.425,427 2.749,428 1.048,429 0.141,430 0.167,431 0.275,432 0.118,433 1.088,434 0.031,435 2.487,436 0.694,437 -0.2,438 -0.237,439 -0.502,440 -0.164,441 0.825,442 -0.305,443 2.42,444 0.439,445 -0.478,446 -0.586,448 -1.148,449 -0.437,450 0.691,451 -0.36,452 2.247,453 0.345,454 -0.582,455 -0.676,457 -1.377,458 -0.511,459 11.848,460 0.474,461 0.592,462 0.024,463 31.5,464 1.26,465 15,466 0.6,467 16.5,468 0.66,469 20.744,470 0.83,471 27.752,472 0.617,473 23.049,474 0.922,475 6.159,476 0.246,477 5.921,478 0.237,479 0.17,481 0.329,485 0.851,486 1.31,487 0.656,488 1.023,489 1.022,490 0.93,491 0.991,492 1.051,493 0.689,494 0.877,495 0.629,496 0.854,497 1.198,498 1.092,499 0.904,500 0.807,501 0.987,502 0.826,503 0.841,504 1.295,505 0.994,506 1.139,507 0.87,508 1.098,509 0.975,510 1.151,511 0.882,512 0.952,513 1.29,514 1.033,515 0.731,516 1.028,517 0.857,518 0.988,519 0.976,520 1.026,521 0.789,522 0.928,523 1.264,524 1.151,525 0.847,526 1.041,527 1.264,528 0.833,529 1.892,530 1.349,531 1.269,532 1.205,533 5,534 0.083,535 2.667,536 2,537 1.489,538 0.938,539 0.609,540 0.33,541 0.295,542 0.1,543 6805,544 20342,545 2.038,546 44.4,547 3,548 11,551 4,552 2,555 1.682,556 1.899,557 3.293,558 1.855,559 1,560 1,564 77.043,565 1.712,566 3.812,567 4.614,568 4.808,569 4.808,570 4.808,571 2.713,572 4.214,573 4.615,574 3.445,575 1033.49,576 7.993,577 12469.3,579 1,581 1,582 247.133,583 1.44,584 4.569,585 0.185,586 0.006,587 0.072,588 0.051,589 0.041,590 0.028,591 0.02,592 0.012,593 0.014,594 0.006,595 0.435,596 0.17,597 1,598 0.795,599 120.165,600 -0.021,601 -0.001,602 0.019,603 -0.005,604 -0.144,605 0.019,606 0.025,607 0.077,608 0.096,609 0.115,610 0.156,611 0.104,612 -0.156,613 -0.028,614 0.02,615 0.147,616 -0.079,617 0.113,618 -0.002,619 -0.181,620 -0.091,621 -0.167,622 0.075,623 -0.144,624 -0.148,625 -0.042,626 -0.11,627 -0.046,628 -0.235,629 -0.111,630 0.021,631 -0.026,632 0.062,633 0.011,634 -0.053,635 -0.02,636 0.176,637 -0.041,638 0.102,639 -0.059,640 0.172,641 0.009,642 -0.004,643 0.042,644 -0.264,645 -0.227,646 -0.101,647 -0.174,648 1.501,649 2.149,650 0.72,651 20.992,652 1.012,653 1.146,654 2.806,655 7.873,656 0.66,657 3.332,658 3.638,659 3.892,660 4.143,661 4.344,662 4.357,663 4.407,664 4.443,665 4.5,666 4.477,667 5.964,668 0.631,669 361.88,670 3.332,671 4.86,672 5.7,673 6.572,674 7.431,675 8.309,676 9.175,677 10.057,678 10.927,679 11.812,680 15.6,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 45,719 13,720 1,721 27,723 47,724 16,725 10,726 3,727 3,729 3,730 3,731 1,734 1,739 1,741 10,742 6,744 1,750 2,753 1,754 1,757 20,758 8,759 4,760 9,761 1,764 7,769 1,770 1,776 1,781 3,801 1,802 3,806 1,807 1,810 25,811 2,816 5,818 1,821 1,828 1,829 2.2,833 1,836 13.167,837 8.226,838 5.611,839 2.718,840 2.834,841 1.404,842 0.972,843 5.683,844 9.851,845 3.555,846 4.127,847 4.696,848 5.268,849 5.803,850 6.09,851 6.43,852 6.764,853 7.093,854 7.323,855 0.857,856 39,857 9.172,859 3.803,860 7.771,861 17.377,863 13.796,865 2.271,866 56.778,869 1,870 188.338,871 72.797,872 135.571,873 39.149,874 11,877 72.797,878 238.486,879 135.571,880 8.825,881 18.933,882 94.223,883 44.571,884 15.385,885 37.431,886 188.338,887 39.149,888 188.338,889 208.368,890 11,891 39.149,893 188.338,895 11,897 32.414,898 109.18,899 105.923,901 188.338,902 146.571,903 111.946,906 188.338,907 35.543,908 40.256,910 182.717,911 188.338,912 146.571,913 111.946,915 0.575,916 0.34,917 0.187,918 0.102,919 17,920 8,921 0.085,922 4,924 1,925 3.651,926 203.145,928 18,929 112.096,933 17.862,934 7.954,935 4.181,937 146.571,938 5.455,939 8.343,943 3.925,945 65.794,946 446.854,947 34,953 8.515,956 45.549,957 51.548,958 0.312,959 0.694,960 0.84,961 0.876,962 0.876,963 0.876,964 4.787,965 1.414,966 5.68,967 3.985,968 4.317,969 4.812,970 1.029,971 6.479,972 4.193,973 5.983,974 1,975 7.232,976 3.106,977 3.892,978 4.62,980 7.372,981 3.696,982 7.283,983 0.658,984 8.885,985 2.136,986 5.894,987 6.983,988 0.763,989 10.475,990 5.681,991 8.621,992 0.563,993 10.598,994 1.516,995 6.275,996 7.607,998 12.226,999 6.012,1000 9.991,1001 0.141,1002 12.351,1003 1.109,1004 7.754,1005 9.46,1006 0.597,1007 14.859,1008 7.472,1009 11.385,1010 -0.2,1011 14.133,1012 0.275,1013 8.523,1014 10.479,1016 16.983,1017 8.211,1018 12.798,1019 -0.478,1020 15.937,1021 -0.502,1022 9.788,1023 12.111,1024 0.47,1025 19.458,1026 9.455,1027 3.171,1028 -0.582,1029 17.758,1030 -1.148,1031 10.748,1032 13.331,1034 21.743,1035 10.394,1036 2.797,1037 11.076,1038 19.594,1039 -1.377,1040 11.927,1041 14.86,1042 0.367,1043 24.164,1044 11.553,1045 2.499,1046 8.676,1047 21.441,1048 4.257,1049 12.979,1050 16.184,1052 26.516,1053 12.589,1054 2.256,1055 6.956,1056 23.299,1057 3.815,1058 14.126,1059 17.663,1060 0.283,1061 28.922,1062 13.717,1063 1.985,1064 6.608,1065 25.164,1066 3.013,1067 15.223,1068 19.04,1070 31.302,1071 14.799,1072 1.736,1073 5.702,1074 27.037,1075 2.666,1076 16.361,1077 20.496,1078 0.217,1079 33.703,1080 15.919,1081 1.607,1082 4.932,1083 28.915,1084 2.548,1085 17.481,1086 21.901,1088 36.096,1089 17.022,1090 6674,1091 11679,1092 17.8,1093 29.682,1094 40.095,1095 40.524,1096 41.382,1097 39.829,1098 39.655,1099 49.968,1100 2.52,1101 112.152,1102 36.948,1103 5.535,1104 5.278,1105 6.572,1106 5.25,1107 5.171,1108 7.257,1109 1.72,1110 17.964,1111 5.094,1112 12.561,1113 1.485,1114 1.501,1115 1.533,1116 1.475,1117 1.469,1118 1.851,1119 0.093,1120 4.154,1121 1.368,1122 4.015,1123 4.049,1124 4.055,1125 3.935,1126 5.287,1127 3.939,1128 3.794,1129 3.857,1130 3.824,1131 3.63,1132 5.041,1133 3.645,1134 3.731,1135 3.777,1136 3.655,1137 3.52,1138 4.975,1139 3.538,1140 3.392,1141 3.485,1142 3.294,1143 3.193,1144 4.743,1145 3.185,1146 3.155,1147 3.245,1148 3.204,1149 2.941,1150 4.542,1151 2.932,1152 3.111,1153 3.206,1154 3.084,1155 2.906,1156 4.465,1157 2.91,1158 3.077,1159 3.182,1160 2.9,1161 2.818,1162 4.217,1163 2.837,1164 2.875,1165 2.959,1166 2.866,1167 2.621,1168 3.965,1169 2.64,1170 0.168,1171 0.121,1172 0.251,1173 0.154,1174 0.117,1175 4.535,1176 0.158,1177 3.278,1178 0.032,1179 6.77,1180 0.41,1181 4.146,1182 0.115,1183 3.171,1184 4.257,1185 0.86,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.024,1191 2.065,1192 1.191,1193 2.054,1194 1.716,1195 1.669,1196 1.906,1197 1.961,1198 1.174,1199 1.943,1200 1.668,1201 1.611,1202 1.847,1203 1.846,1204 1.004,1205 1.847,1206 1.381,1207 1.296,1208 1.615,1209 1.633,1210 0.825,1211 1.652,1212 1.153,1213 1.064,1214 1.513,1215 1.381,1216 0.596,1217 1.429,1218 1.026,1219 0.953,1220 1.267,1221 1.376,1222 0.237,1223 1.358,1224 0.968,1225 0.892,1226 1.173,1227 1.322,1228 0.178,1229 1.272,1230 0.813,1231 0.716,1232 1.121,1233 1.099,1234 0.127,1235 1.118,1236 4.007,1238 5.313,1240 6.823,1242 8.429,1244 10.085,1246 1.986,1247 6.261,1250 11.762,1252 3.385,1254 5.293,1257 1.852,1262 28.38,1263 77.043,1264 171.518,1265 207.624,1266 216.379,1267 216.379,1268 216.379,1269 40.766,1270 7.017,1271 115.01,1272 115.01,1273 18,1274 12.348,1275 3.807,1276 3,1277 41.678,1278 89,1279 92,1280 0.231,1281 181.465,1282 309,1283 434.535,1284 9936,1285 2.2,1286 17.811,1287 0.712,1288 0.588,1289 18.311,1290 14.7,1291 12.08,1292 0.447,1293 0.312,1294 7.929,1295 11.209,1296 7.735,1297 6.385,1298 12.368,1299 8.421,1300 10.691,1301 0.289,1302 0.161,1303 11.062,1304 5.971,1305 8.823,1306 0.184,1307 0.087,1308 9.203,1309 4.185,1310 7.444,1311 0.12,1312 0.045,1313 7.679,1314 2.771,1315 5.864,1316 0.077,1317 0.024,1318 6.106,1319 1.846,1320 0.358,1321 79.568,1322 0.237,1323 24.178,1324 0.644,1325 128,1326 398.789,1327 158.36,1328 415.659,1329 560.89,1330 388,1331 149,1332 398.93,1333 175.988,1334 409.339,1335 595.5,1336 385,1337 4.58}
{0 CHEMBL48648,1 1.439,2 9.435,3 2.877,4 8.274,5 95.71,6 7.173,7 0.615,8 3.878,9 4.028,10 3.415,11 3.401,12 4.953,13 3.383,14 4.402,15 4.589,16 3.79,17 3.834,18 5.436,19 3.778,20 4.656,21 4.886,22 3.818,23 3.951,24 5.564,25 3.866,26 4.689,27 4.927,28 3.747,29 3.909,30 5.665,31 3.799,32 4.707,33 4.992,34 3.434,35 3.795,36 5.595,37 3.645,38 4.543,39 4.849,40 3.292,41 3.655,42 5.265,43 3.491,44 4.306,45 4.566,46 3.387,47 3.557,48 5.184,49 3.452,50 4.289,51 4.534,52 3.384,53 3.516,54 5.235,55 3.429,56 0.065,57 0.712,58 9.534,59 3.359,60 10.199,61 4.961,62 0.197,63 1.124,64 16.888,65 6.587,66 21.948,67 9.422,68 0.144,69 1.323,70 22.909,71 7.896,72 19.273,73 12.025,74 0.287,75 1.332,76 23.998,77 8.253,78 33.002,79 12.402,80 0.399,81 1.226,82 26.035,83 7.413,84 43.247,85 11.755,86 0.187,87 0.985,88 22.305,89 7.621,90 23.734,91 11.734,92 0.128,93 0.874,94 16.645,95 5.955,96 18.53,97 8.987,98 0.131,99 0.889,100 16.178,101 4.991,102 18.302,103 7.863,104 5,105 37,106 0.25,107 0.643,108 0.802,109 0.846,110 0.87,111 0.886,112 3.189,113 0.918,114 -4.46,115 -4.39,116 -4.14,119 39.5,121 4,125 1,139 3,140 4,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 10,169 1,170 2,172 3,173 4,175 6,178 11,180 1,182 2,187 5,189 9,191 1,195 1,196 2,197 4,198 4,200 4,201 7,204 1,205 1,210 2,211 1,212 2,214 1,215 7,218 1,226 2,229 6,234 4,238 1,239 5,240 1,241 4,243 2,246 6,251 6,254 1,256 3,260 6,265 6,270 5,273 635,274 15.792,275 15.792,276 15.792,277 15.792,278 15.792,279 13.813,280 19.913,281 9.264,282 16.081,283 12.853,284 12.853,285 12.853,286 12.853,287 12.853,288 9.802,289 25.174,290 4.379,291 13.332,292 3.987,293 1.726,294 0.808,295 0.558,296 0.419,297 0.326,298 3.89,300 1,301 1,302 1,303 483,304 2.449,306 43.372,307 159.133,310 82.075,311 89.637,314 1.285,315 16.115,317 1,318 0.75,319 0.83,320 0.83,321 0.7,322 0.5,323 0.83,324 1,325 0.78,326 49,327 217,328 4.638,329 3.286,330 6.781,331 4.157,332 3.19,333 4.608,334 0.657,335 11.108,336 3.088,337 4.373,338 3.216,339 6.505,340 4.018,341 3.027,342 4.024,344 10.194,345 2.999,346 3.711,347 2.552,348 5.323,349 3.282,350 2.348,351 3.155,353 6.732,354 2.193,355 3.412,356 2.318,357 5.187,358 3.078,359 2.11,360 2.79,362 6.216,363 2.038,364 3.38,365 2.067,366 5.063,367 2.899,368 1.98,369 2.628,371 5.79,372 1.818,373 3.045,374 1.943,375 4.76,376 2.673,377 1.717,378 2.219,380 4.97,381 1.635,382 2.947,383 1.765,384 4.165,385 2.618,386 1.618,387 2.114,389 3.795,390 1.618,391 2.434,392 1.341,393 3.601,394 2.273,395 1.275,396 1.429,398 2.849,399 1.273,400 2.314,401 1.202,402 3.588,403 1.987,404 1.017,405 1.242,407 2.345,408 0.985,409 2.102,410 0.884,411 3.411,412 1.765,413 0.831,414 1.06,415 2.074,416 0.774,417 1.709,418 0.68,419 3.094,420 1.46,421 0.505,422 0.589,423 1.218,424 0.481,425 1.129,426 0.007,427 2.684,428 0.755,429 -0.191,430 -0.235,431 -0.499,432 -0.179,433 0.967,434 -0.244,435 2.497,436 0.563,437 -0.379,438 -0.484,439 -0.986,440 -0.356,441 0.759,442 -0.325,443 2.31,444 0.389,445 -0.535,446 -0.637,448 -1.278,449 -0.494,450 0.669,451 -0.506,452 2.11,453 0.382,454 -0.618,455 -0.73,457 -1.478,458 -0.618,459 10.9,460 0.474,461 0.538,462 0.023,463 31,464 1.348,465 15.5,466 0.674,467 15.5,468 0.674,469 17.483,470 0.76,471 24.5,472 0.57,473 19.98,474 0.869,475 5.775,476 0.251,477 5.446,478 0.237,479 0.073,481 0.367,485 1.22,486 1.213,487 0.872,488 0.922,489 1.245,490 0.862,491 0.547,492 0.992,493 0.827,494 1.037,495 0.403,496 0.981,497 0.896,498 1.224,499 0.922,500 1.104,501 0.752,502 1.031,503 0.707,504 1.162,505 1.066,506 1.269,507 0.615,508 1.225,509 1.361,510 0.768,511 1.273,512 0.95,513 1.347,514 1.075,515 0.657,516 0.783,517 0.791,518 0.842,519 0.609,520 0.836,521 0.59,522 0.972,523 0.742,524 0.935,525 0.604,526 0.872,527 1.133,528 1.232,529 1.006,530 1.082,531 1.031,532 1.036,533 4,534 0.087,535 2.667,536 1.91,537 1.165,538 0.406,539 0.34,540 0.254,541 0.219,542 0.128,543 5947,544 13474,545 2.168,546 46.5,547 8,548 5,549 1,551 6,555 1.656,556 2.06,557 3.198,558 3.58,559 1,560 1,562 1,564 61.894,565 1.439,566 3.7,567 4.618,568 4.868,569 5.008,570 5.101,571 2.616,572 4.176,573 4.502,574 3.326,575 841.543,576 7.739,577 9488.55,579 1,581 1,582 233.329,583 1.302,584 4.469,585 0.154,586 0.01,587 0.072,588 0.052,589 0.036,590 0.018,591 0.016,592 0.011,593 0.01,594 0.008,595 0.386,596 0.17,597 1,598 0.503,599 107.041,600 -0.205,601 0.033,602 0.023,603 0.123,604 -0.197,605 0.107,606 0.311,607 0.143,608 0.081,609 0.02,610 0.313,611 0.019,612 -0.034,613 -0.195,614 0.019,615 -0.08,616 -0.002,617 -0.033,618 0.246,619 -0.138,620 -0.113,621 -0.276,622 0.228,623 -0.248,624 -0.203,625 0.198,626 -0.269,627 -0.031,628 -0.245,629 -0.138,630 0.061,631 0.057,632 0.196,633 0.173,634 0.075,635 0.198,636 0.159,637 -0.027,638 0.215,639 0.1,640 0.173,641 0.154,642 -0.113,643 -0.212,644 -0.039,645 -0.107,646 -0.076,647 -0.07,648 1.478,649 2.003,650 0.826,651 15.505,652 0.995,653 1.137,654 3.233,655 10.454,656 0.66,657 3.296,658 3.638,659 3.951,660 4.263,661 4.431,662 4.466,663 4.543,664 4.654,665 4.727,666 4.718,667 5.58,668 0.624,669 308.43,670 3.296,671 4.844,672 5.714,673 6.608,674 7.489,675 8.387,676 9.272,677 10.171,678 11.058,679 11.957,680 14,684 2,685 1,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,712 1,718 43,719 16,720 1,721 26,723 46,724 17,725 12,726 3,727 3,729 4,730 6,736 4,739 4,741 12,742 5,753 1,754 1,757 20,758 5,759 6,760 6,764 6,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,810 23,811 2,816 5,817 1,836 11.167,837 7.4,838 4.972,839 2.61,840 3.252,841 1.438,842 1.064,843 3.674,844 10.677,845 3.555,846 4.216,847 4.861,848 5.489,849 5.954,850 6.224,851 6.524,852 6.874,853 7.013,854 7.204,855 1,856 37,857 8.473,859 3.648,860 7.58,861 16.527,863 14.047,865 2.08,866 47.833,869 1,870 164.795,871 70.549,872 134.162,877 70.549,878 164.795,879 134.162,881 12.244,882 103.271,883 53.297,884 31.672,885 15.998,886 153.024,888 164.795,889 204.71,893 164.795,897 32.644,898 120.485,899 51.582,901 164.795,902 134.162,903 70.549,906 164.795,907 33.073,908 37.476,909 34.796,910 99.365,911 164.795,912 134.162,913 70.549,915 0.585,916 0.351,917 0.205,918 0.104,919 20,920 8,921 0.065,922 3,923 2,924 1.211,925 3.576,926 190.998,927 0.211,928 19,929 104.042,933 14.486,934 5.834,935 2.665,936 1.526,937 117.376,938 8.425,939 8.242,940 3.117,943 5.786,945 100.591,946 369.506,947 34,956 42.796,957 48.896,958 0.265,959 0.682,960 0.851,961 0.897,962 0.923,963 0.94,964 4.796,965 1.275,966 5.7,967 3.795,968 4.317,969 4.902,970 0.623,971 6.538,972 4.248,973 6.016,974 1.017,975 7.27,976 2.849,977 3.892,978 4.808,980 7.489,981 3.795,982 7.341,983 0.831,984 8.943,985 2.345,986 5.927,987 7.196,988 0.317,989 10.625,990 5.802,991 8.707,992 0.505,993 10.679,994 2.074,995 6.347,996 7.967,998 12.447,999 6.206,1000 10.109,1001 -0.191,1002 12.456,1003 1.218,1004 7.843,1005 9.824,1006 0.149,1007 15.09,1008 7.676,1009 11.536,1010 -0.379,1011 14.262,1012 -0.499,1013 8.663,1014 10.995,1016 17.257,1017 8.481,1018 12.983,1019 -0.535,1020 16.089,1021 -0.986,1022 9.942,1023 12.643,1024 0.067,1025 19.734,1026 9.736,1027 3.19,1028 -0.618,1029 17.933,1030 -1.278,1031 10.944,1032 14,1034 22.036,1035 10.721,1036 3.027,1037 11.108,1038 19.79,1039 -1.478,1040 12.138,1041 15.564,1042 0.03,1043 24.454,1044 11.891,1045 2.348,1046 10.194,1047 21.656,1048 4.608,1049 13.221,1050 17.006,1052 26.808,1053 12.952,1054 2.11,1055 6.732,1056 23.529,1057 4.024,1058 14.382,1059 18.538,1060 0.013,1061 29.207,1062 14.088,1063 1.98,1064 6.216,1065 25.409,1066 3.155,1067 15.499,1068 20.019,1070 31.581,1071 15.181,1072 1.717,1073 5.79,1074 27.293,1075 2.79,1076 16.648,1077 21.539,1078 0.006,1079 33.974,1080 16.305,1081 1.618,1082 4.97,1083 29.181,1084 2.628,1085 17.781,1086 23.04,1088 36.358,1089 17.412,1090 5557,1091 8514,1092 17.8,1093 28.364,1094 39.361,1095 39.427,1096 40.339,1097 39.266,1098 39.233,1099 51.718,1100 1.315,1101 114.581,1102 37.803,1103 5.584,1104 5.286,1105 6.47,1106 5.229,1107 5.19,1108 7.608,1109 1.315,1110 17.999,1111 5.088,1112 8.473,1113 1.514,1114 1.516,1115 1.551,1116 1.51,1117 1.509,1118 1.989,1119 0.051,1120 4.407,1121 1.454,1122 4.116,1123 4.163,1124 4.086,1125 3.992,1126 5.322,1127 4.006,1128 3.994,1129 4.029,1130 3.931,1131 3.917,1132 4.981,1133 3.92,1134 3.545,1135 3.615,1136 3.418,1137 3.413,1138 4.789,1139 3.399,1140 3.44,1141 3.519,1142 3.342,1143 3.218,1144 4.723,1145 3.246,1146 3.23,1147 3.323,1148 3.101,1149 3.024,1150 4.157,1151 3.027,1152 3.099,1153 3.212,1154 2.968,1155 2.843,1156 4.071,1157 2.856,1158 3.029,1159 3.135,1160 2.82,1161 2.733,1162 4.003,1163 2.758,1164 2.77,1165 2.843,1166 2.604,1167 2.651,1168 3.681,1169 2.631,1170 0.178,1171 0.126,1172 0.261,1173 0.16,1174 0.123,1175 4.638,1176 0.177,1177 3.286,1178 0.025,1179 6.781,1180 0.427,1181 4.157,1182 0.119,1183 3.19,1184 4.608,1185 0.657,1186 11.108,1187 3.088,1188 2.001,1189 1.971,1190 2.132,1191 2.092,1192 1.438,1193 2.107,1194 1.827,1195 1.79,1196 1.884,1197 2.008,1198 1.085,1199 1.971,1200 1.586,1201 1.521,1202 1.779,1203 1.798,1204 0.933,1205 1.798,1206 1.511,1207 1.452,1208 1.694,1209 1.673,1210 0.769,1211 1.693,1212 1.189,1213 1.114,1214 1.474,1215 1.461,1216 0.723,1217 1.456,1218 1.072,1219 0.975,1220 1.354,1221 1.372,1222 0.374,1223 1.374,1224 0.961,1225 0.851,1226 1.263,1227 1.318,1228 0.324,1229 1.339,1230 0.802,1231 0.735,1232 1.122,1233 1.1,1234 0.078,1235 1.106,1236 3.97,1238 5.303,1239 2.398,1240 6.841,1241 4.727,1242 8.477,1243 6.843,1244 10.163,1250 11.641,1252 5.549,1253 3.547,1262 26.816,1263 61.894,1264 159.091,1265 198.574,1266 209.329,1267 215.329,1268 219.329,1269 27.199,1270 7.425,1271 105.64,1272 105.64,1273 23,1274 12.482,1275 4.087,1276 3.17,1277 31.922,1278 79,1279 68,1280 0.203,1281 164.541,1282 268.04,1283 393.239,1284 17517,1286 15.811,1287 0.687,1288 0.561,1289 15.811,1290 12.894,1291 11.22,1292 0.432,1293 0.306,1294 7.87,1295 10.889,1296 7.729,1297 6.389,1298 11.22,1299 7.957,1300 10.205,1301 0.276,1302 0.162,1303 10.205,1304 6.008,1305 8.765,1306 0.172,1307 0.089,1308 8.765,1309 4.524,1310 8.002,1311 0.114,1312 0.049,1313 8.002,1314 3.422,1315 6.113,1316 0.074,1317 0.028,1318 6.113,1319 2.34,1320 0.315,1321 69.624,1322 0.237,1323 22.407,1324 0.562,1325 126,1326 298.58,1327 135.88,1328 301.916,1329 430.6,1330 284,1331 151,1332 336.986,1333 160.659,1334 344.132,1335 507.23,1336 326,1337 4.227}
{0 CHEMBL49246,1 1.622,2 8.591,3 3.134,4 9.824,5 94.28,6 7.996,7 0.522,8 3.783,9 3.937,10 3.393,11 3.255,12 4.985,13 3.241,14 4.247,15 4.462,16 3.745,17 3.603,18 5.393,19 3.566,20 4.41,21 4.616,22 3.865,23 3.736,24 5.574,25 3.694,26 4.462,27 4.68,28 3.822,29 3.74,30 5.628,31 3.683,32 4.491,33 4.703,34 3.759,35 3.755,36 5.634,37 3.689,38 4.61,39 4.872,40 3.746,41 3.772,42 5.66,43 3.641,44 4.53,45 4.812,46 3.622,47 3.586,48 5.583,49 3.42,50 4.133,51 4.4,52 3.205,53 3.227,54 5.164,55 3.077,56 0.109,57 0.63,58 7.887,59 2.941,60 12.527,61 4.245,62 0.255,63 0.887,64 15.188,65 4.965,66 22.846,67 7.258,68 0.278,69 1.005,70 19.231,71 5.09,72 29.103,73 7.814,74 0.313,75 1.032,76 21.036,77 5.699,78 37.097,79 8.683,80 0.298,81 1.075,82 18.797,83 5.221,84 35.329,85 8.261,86 0.343,87 1.005,88 24.914,89 7.369,90 43.709,91 11.078,92 0.512,93 0.767,94 32.115,95 7.143,96 56.268,97 10.711,98 0.321,99 0.554,100 19.777,101 4.656,102 30.234,103 6.79,104 43,105 32,106 0.29,107 0.668,108 0.787,109 0.826,110 0.826,111 0.826,112 3.147,113 0.927,114 -4.29,115 -4.23,116 -3.99,119 35,120 1,121 1,124 2,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 4,172 3,173 3,175 1,178 6,180 1,182 7,187 1,189 6,191 1,193 11,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,207 8,212 4,215 4,218 4,220 2,221 3,223 1,224 1,226 2,229 1,231 2,233 2,234 4,236 1,237 1,239 2,241 1,243 2,245 2,246 2,248 2,249 2,254 1,260 1,262 1,263 1,265 1,270 1,273 644,274 14.301,275 14.301,276 14.301,277 14.301,278 14.301,279 12.628,280 18.92,281 8.337,282 14.683,283 11.26,284 11.26,285 11.26,286 11.26,287 11.26,288 8.64,289 22.31,290 3.864,291 11.948,292 3.7,293 1.589,294 0.925,295 0.707,296 0.707,297 0.707,298 3.801,299 1,300 1,301 1,302 1,303 381,304 3.082,307 146.324,314 1.264,315 20.113,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 47.833,327 189,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.4,335 11.075,336 3.094,337 4.182,338 3.11,339 6.047,340 3.723,341 2.792,342 3.814,344 8.67,345 2.58,346 3.631,347 2.439,348 5.304,349 3.213,350 2.276,351 3.011,353 6.621,354 2.135,355 3.381,356 2.385,357 5.038,358 3.107,359 2.174,360 2.552,362 5.702,363 2.006,364 3.299,365 2.226,366 4.757,367 2.932,368 1.985,369 2.512,371 5.177,372 1.875,373 3.098,374 1.956,375 4.662,376 2.676,377 1.73,378 2.302,380 4.92,381 1.627,382 2.858,383 1.788,384 4.192,385 2.431,386 1.505,387 1.962,389 3.864,390 1.346,391 2.181,392 0.838,393 3.328,394 1.582,395 0.628,396 0.886,398 1.382,399 0.581,400 1.747,401 0.653,402 3.031,403 1.53,404 0.551,405 0.641,407 1.084,408 0.538,409 1.386,410 0.389,411 2.747,412 1.04,413 0.127,414 0.153,415 0.249,416 0.108,417 1.076,418 0.018,419 2.451,420 0.626,421 -0.25,422 -0.311,423 -0.616,424 -0.196,425 0.825,426 -0.305,427 2.276,428 0.437,429 -0.479,430 -0.587,431 -1.149,432 -0.437,433 0.669,434 -0.556,435 2.231,436 0.236,437 -0.723,438 -0.887,439 -1.91,440 -0.67,441 0.241,442 -0.6,443 1.892,444 0.016,445 -0.914,446 -1,448 -2,449 -0.813,451 -0.675,452 1.566,453 -0.1,454 -1,455 -1.047,457 -2.183,458 -0.9,459 10.514,460 0.478,461 0.668,462 0.03,463 29,464 1.318,465 15,466 0.682,467 14,468 0.636,469 17.029,470 0.774,471 24.286,472 0.607,473 21.231,474 0.965,475 5.729,476 0.26,477 4.689,478 0.213,479 0.287,481 0.371,485 0.832,486 1.311,487 0.666,488 0.979,489 1.108,490 0.929,491 0.676,492 0.896,493 0.58,494 0.714,495 0.431,496 0.701,497 1.2,498 1.225,499 0.934,500 0.933,501 1.054,502 0.905,503 1.004,504 1.209,505 0.954,506 1.059,507 0.892,508 0.996,509 1.195,510 1.324,511 0.936,512 1.131,513 1.379,514 1.186,515 0.855,516 1.042,517 0.87,518 1.02,519 0.989,520 1.065,521 0.938,522 0.849,523 1.41,524 1.178,525 0.924,526 1.05,527 1.177,528 0.859,529 1.501,530 1.173,531 1.166,532 1.139,533 5.5,534 0.058,535 2.667,536 2.063,537 1.498,538 0.958,539 0.608,540 0.314,541 0.271,542 0.096,543 4119,544 13024,545 1.919,546 45,547 3,548 9,551 4,552 2,555 1.65,556 1.737,557 3.088,558 1.959,559 1,560 1,562 1,564 64.864,565 1.622,566 3.733,567 4.396,568 4.615,569 4.615,570 4.615,571 2.504,572 4.096,573 4.428,574 3.223,575 744.484,576 7.636,577 8086.55,578 1,579 1,580 1,581 1,582 212.877,583 1.573,584 4.349,585 0.239,586 0.012,587 0.083,588 0.061,589 0.045,590 0.032,591 0.023,592 0.016,593 0.019,594 0.008,595 0.538,597 1,598 1.434,599 100.004,600 0.002,601 0.004,602 0.008,603 0.016,604 -0.223,605 0.014,606 0.199,607 0.239,608 0.207,609 0.268,610 0.308,611 0.266,612 -0.186,613 -0.085,614 -0.012,615 0.047,616 -0.128,617 0.04,618 -0.035,619 -0.114,620 -0.039,621 -0.075,622 0.07,623 -0.037,624 -0.263,625 -0.169,626 -0.202,627 -0.209,628 -0.317,629 -0.27,630 0.023,631 -0.086,632 0.044,633 -0.035,634 -0.035,635 -0.072,636 0.204,637 -0.05,638 0.013,639 -0.105,640 0.166,641 -0.011,642 0.006,643 0.017,644 -0.168,645 -0.145,646 -0.102,647 -0.145,648 1.5,649 2.04,650 0.545,651 16.661,652 1.008,653 1.148,654 3.062,655 9.373,656 0.662,657 3.178,658 3.497,659 3.714,660 3.97,661 4.174,662 4.22,663 4.22,664 4.205,665 4.19,666 3.989,667 5.206,668 0.628,669 319.84,670 3.178,671 4.71,672 5.541,673 6.422,674 7.28,675 8.167,676 9.036,677 9.926,678 10.801,679 11.693,680 17.5,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 40,719 13,720 1,721 23,723 41,724 14,725 10,726 3,727 3,729 2,730 2,731 1,734 1,739 1,741 10,742 4,744 1,750 2,753 1,754 1,757 18,758 7,759 4,760 8,761 1,764 7,769 1,776 1,781 2,802 2,806 3,807 1,810 22,811 2,816 1,821 1,828 1,836 12.667,837 8.06,838 4.944,839 2.252,840 2.655,841 1.409,842 0.953,843 5.163,844 9.148,845 3.434,846 4.043,847 4.62,848 5.204,849 5.753,850 6.039,851 6.356,852 6.672,853 6.97,854 7.122,855 0.833,856 34,857 8.02,859 3.227,860 7.831,861 14.991,863 11.435,865 2.331,866 51.278,869 1,870 164.795,871 76.193,872 135.571,873 39.149,877 76.193,878 203.944,879 135.571,880 25.618,881 5.536,882 94.223,883 33.571,884 15.385,885 37.431,886 164.795,887 39.149,888 164.795,889 211.764,891 39.149,893 164.795,897 19.017,898 125.972,899 105.923,901 164.795,902 135.571,903 115.342,906 164.795,907 22.147,908 57.048,910 171.718,911 164.795,912 135.571,913 115.342,915 0.58,916 0.329,917 0.179,918 0.103,919 14,920 8,921 0.098,922 4,924 1,925 3.234,926 166.557,928 12,929 96.107,933 16.461,934 6.9,935 3.855,937 135.571,938 5.4,939 8.281,943 3.902,945 65.794,946 415.708,947 30,953 8.068,956 40.338,957 45.923,958 0.305,959 0.701,960 0.826,961 0.867,962 0.867,963 0.867,964 4.663,965 0.628,966 5.549,967 3.864,968 4.174,969 4.727,970 0.278,971 6.365,972 4.063,973 5.893,974 0.551,975 7.119,976 1.382,977 3.892,978 4.62,980 7.314,981 3.696,982 7.208,983 0.127,984 8.787,985 1.084,986 5.771,987 6.944,988 0.05,989 10.402,990 5.577,991 8.558,992 -0.25,993 10.512,994 0.249,995 6.236,996 7.597,998 12.178,999 5.976,1000 9.938,1001 -0.479,1002 12.275,1003 -0.616,1004 7.652,1005 9.441,1006 0.008,1007 14.818,1008 7.391,1009 11.339,1010 -0.723,1011 14.065,1012 -1.149,1013 8.471,1014 10.471,1016 16.957,1017 8.166,1018 12.758,1019 -0.914,1020 15.876,1021 -1.91,1022 9.709,1023 12.102,1024 0.001,1025 19.438,1026 9.395,1027 3.171,1028 -1,1029 17.705,1030 -2,1031 10.699,1032 13.327,1034 21.73,1035 10.356,1036 2.792,1037 11.075,1038 19.547,1039 -2.183,1040 11.868,1041 14.856,1043 24.155,1044 11.512,1045 2.276,1046 8.67,1047 21.401,1048 4.257,1049 12.938,1050 16.181,1052 26.511,1053 12.56,1054 2.174,1055 6.621,1056 23.264,1057 3.814,1058 14.084,1059 17.661,1061 28.918,1062 13.69,1063 1.985,1064 5.702,1065 25.135,1066 3.011,1067 15.192,1068 19.038,1070 31.299,1071 14.778,1072 1.73,1073 5.177,1074 27.013,1075 2.552,1076 16.331,1077 20.495,1079 33.702,1080 15.901,1081 1.505,1082 4.92,1083 28.895,1084 2.512,1085 17.457,1086 21.9,1088 36.095,1089 17.009,1090 4319,1091 7805,1092 14.334,1093 26.466,1094 34.507,1095 34.434,1096 36.171,1097 34.066,1098 33.879,1099 44.178,1100 0.8,1101 97.49,1102 31.778,1103 5.217,1104 5.278,1105 6.292,1106 5.216,1107 5.171,1108 7.257,1109 0.8,1110 17.964,1111 5.094,1112 14.234,1113 1.5,1114 1.497,1115 1.573,1116 1.481,1117 1.473,1118 1.921,1119 0.035,1120 4.239,1121 1.382,1122 4.012,1123 4.046,1124 4.054,1125 3.934,1126 5.287,1127 3.938,1128 3.769,1129 3.821,1130 3.824,1131 3.628,1132 5.042,1133 3.643,1134 3.547,1135 3.647,1136 3.443,1137 3.251,1138 4.976,1139 3.273,1140 3.392,1141 3.485,1142 3.286,1143 3.191,1144 4.731,1145 3.184,1146 3.113,1147 3.219,1148 3.204,1149 2.895,1150 4.465,1151 2.911,1152 2.987,1153 3.08,1154 2.929,1155 2.786,1156 4.23,1157 2.79,1158 2.875,1159 3.009,1160 2.861,1161 2.62,1162 4.025,1163 2.639,1164 2.874,1165 2.958,1166 2.576,1167 2.618,1168 3.965,1169 2.57,1170 0.197,1171 0.143,1172 0.294,1173 0.18,1174 0.138,1175 4.535,1176 0.185,1177 3.278,1178 0.017,1179 6.77,1180 0.482,1181 4.146,1182 0.135,1183 3.171,1184 4.257,1185 0.4,1186 11.075,1187 3.094,1188 1.957,1189 1.934,1190 2.023,1191 2.063,1192 1.189,1193 2.052,1194 1.707,1195 1.664,1196 1.853,1197 1.886,1198 1.005,1199 1.871,1200 1.466,1201 1.361,1202 1.762,1203 1.764,1204 0.805,1205 1.77,1206 1.381,1207 1.295,1208 1.614,1209 1.632,1210 0.596,1211 1.652,1212 1.013,1213 0.938,1214 1.417,1215 1.373,1216 0.469,1217 1.356,1218 0.934,1219 0.86,1220 1.267,1221 1.239,1222 0.182,1223 1.308,1224 0.929,1225 0.804,1226 1.149,1227 1.195,1228 0.128,1229 1.174,1230 0.81,1231 0.712,1232 1.115,1233 1.098,1234 0.027,1235 1.118,1236 3.85,1238 5.165,1240 6.673,1242 8.282,1244 9.946,1246 5.539,1247 6.151,1250 11.668,1252 0.684,1257 1.584,1262 25.138,1263 64.864,1264 149.314,1265 175.858,1266 184.612,1267 184.612,1268 184.612,1269 37.708,1270 6.494,1271 105.78,1272 105.78,1273 12,1274 12.224,1275 3.807,1276 3,1277 41.992,1278 67,1279 70,1280 0.314,1281 165.678,1282 277.97,1283 396.013,1284 4574,1285 2.5,1286 16.276,1287 0.74,1288 0.612,1289 16.776,1290 13.464,1291 10.418,1292 0.453,1293 0.309,1294 6.644,1295 9.67,1296 6.342,1297 5.371,1298 10.707,1299 7.105,1300 9.581,1301 0.299,1302 0.164,1303 9.952,1304 5.252,1305 7.267,1306 0.182,1307 0.081,1308 7.647,1309 3.25,1310 6.066,1311 0.117,1312 0.041,1313 6.301,1314 2.154,1315 4.802,1316 0.075,1317 0.023,1318 5.044,1319 1.462,1320 0.477,1321 68.767,1322 0.264,1323 21.348,1324 0.907,1325 110,1326 337.053,1327 136.815,1328 365.719,1329 491.85,1330 338,1331 127,1332 352.59,1333 150.22,1334 368.677,1335 528.58,1336 343,1337 4.724}
{0 CHEMBL492895,1 1.544,2 10.074,3 3.541,4 12.535,5 109.701,6 7.067,7 0.586,8 4.041,9 4.175,10 3.555,11 3.508,12 5.165,13 3.497,14 4.551,15 4.744,16 3.882,17 3.864,18 5.609,19 3.834,20 4.72,21 4.917,22 3.988,23 4.032,24 5.729,25 3.985,26 4.861,27 5.072,28 3.961,29 4.118,30 5.848,31 4.028,32 4.972,33 5.216,34 3.916,35 4.172,36 5.879,37 4.041,38 4.998,39 5.261,40 3.898,41 4.142,42 5.834,43 4.018,44 4.961,45 5.199,46 3.864,47 4.089,48 5.889,49 3.987,50 4.909,51 5.156,52 3.749,53 4.018,54 5.833,55 3.891,56 0.037,57 0.774,58 11.6,59 4.341,60 12.703,61 6.129,62 0.301,63 1.158,64 21.111,65 7.188,66 31.521,67 10.089,68 0.2,69 1.388,70 24.644,71 8.177,72 25.416,73 12.071,74 0.33,75 1.528,76 28.798,77 10.03,78 38.366,79 14.604,80 0.459,81 1.62,82 32.907,83 11.792,84 44.415,85 17.334,86 0.27,87 1.573,88 34.351,89 11.867,90 37.816,91 17.643,92 0.482,93 1.496,94 33.567,95 10.635,96 49.473,97 15.318,98 0.318,99 1.423,100 31.551,101 10.366,102 42.277,103 15.307,104 36,105 40,106 0.259,107 0.609,108 0.776,109 0.845,110 0.858,111 0.877,112 3.34,113 0.914,114 -4.17,115 -4.11,116 -3.89,119 38.5,120 1,121 1,124 2,125 2,139 6,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 11,172 3,173 3,175 1,178 4,180 1,182 11,187 1,189 4,191 1,192 1,193 2,195 1,196 1,197 1,198 3,200 2,201 5,204 3,205 1,206 4,207 2,209 1,210 1,212 3,215 10,218 3,221 3,229 8,234 10,236 1,237 1,239 2,241 6,243 2,246 7,251 2,254 3,256 2,259 2,260 2,262 1,263 1,265 3,270 3,273 1155,274 18.35,275 18.35,276 18.35,277 18.35,278 18.35,279 16.314,280 25.274,281 10.783,282 18.981,283 14.151,284 14.151,285 14.151,286 14.151,287 14.151,288 10.955,289 33.882,290 4.869,291 15,292 4.157,293 2.07,294 1.073,295 0.659,296 0.582,297 0.467,298 4.021,300 1,301 1,302 1,303 570,304 3.464,307 237.157,311 122.516,314 1.416,315 20.813,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 58.5,327 272,328 4.551,329 3.292,330 6.527,331 4.077,332 3.111,333 4.495,334 0.916,335 10.278,336 3.006,337 4.282,338 3.125,339 6.25,340 3.902,341 2.94,342 3.916,343 0.86,344 9.446,345 2.828,346 3.936,347 2.913,348 6.007,349 3.611,350 2.673,351 3.341,352 0.86,353 8.593,354 2.504,355 3.548,356 2.675,357 5.221,358 3.159,359 2.235,360 2.867,361 0.172,362 6.492,363 2.056,364 3.468,365 2.249,366 5.065,367 3.036,368 2.115,369 2.811,371 5.95,372 1.942,373 3.42,374 2.087,375 5.018,376 2.941,377 1.996,378 2.783,380 5.794,381 1.884,382 2.955,383 1.96,384 4.54,385 2.601,386 1.639,387 2.095,389 4.592,390 1.571,391 2.685,392 1.593,393 4.187,394 2.418,395 1.442,396 1.724,398 3.657,399 1.404,400 2.445,401 1.248,402 3.708,403 1.983,404 1.008,405 1.423,407 2.565,408 0.981,409 2.018,410 1.058,411 3.164,412 1.849,413 0.875,414 0.975,415 1.639,416 0.85,417 1.883,418 0.951,419 3.014,420 1.63,421 0.758,422 0.831,423 1.286,424 0.654,425 1.476,426 0.912,427 2.845,428 1.208,429 0.347,430 0.382,431 0.486,432 0.296,433 1.362,434 0.276,435 2.671,436 0.957,437 0.021,438 0.027,439 0.052,440 0.02,441 1.013,442 0.071,443 2.568,444 0.775,445 -0.171,446 -0.192,448 -0.316,449 -0.161,450 0.958,451 -0.182,452 2.476,453 0.48,454 -0.445,455 -0.573,457 -1.004,458 -0.41,459 12.667,460 0.469,461 0.622,462 0.023,463 36.25,464 1.343,465 18.5,466 0.685,467 17.75,468 0.657,469 21.922,470 0.812,471 29.933,472 0.576,473 27.715,474 1.026,475 7.255,476 0.269,477 5.795,478 0.215,479 0.182,481 0.347,485 1.018,486 1.404,487 0.867,488 1.169,489 1.183,490 1.011,491 1.186,492 0.911,493 0.836,494 0.835,495 0.679,496 0.8,497 1.108,498 1.207,499 0.957,500 1.036,501 0.839,502 0.975,503 0.94,504 1.16,505 1.085,506 1.169,507 0.829,508 1.157,509 0.576,510 1.008,511 1.015,512 1.141,513 0.822,514 1.146,515 0.778,516 0.995,517 0.887,518 1.041,519 0.705,520 0.99,521 1.479,522 0.89,523 1.162,524 0.971,525 1.202,526 1.021,527 1.148,528 1.152,529 1.114,530 1.173,531 1.003,532 1.154,533 6,534 0.136,535 3.111,536 1.75,537 1.911,538 1.042,539 0.609,540 0.535,541 0.345,542 0.252,543 7889,544 20861,545 2.014,546 48.1,547 3,548 16,551 4,553 2,555 1.706,556 1.862,557 3.29,558 1.698,560 1,564 80.278,565 1.544,566 3.631,567 4.628,568 5.042,569 5.118,570 5.234,571 2.713,572 4.31,573 4.728,574 3.435,575 1205.59,576 8.236,577 15318.8,579 1,581 1,582 296.423,583 1.487,584 4.672,585 0.207,586 0.008,587 0.078,588 0.04,589 0.047,590 0.027,591 0.016,592 0.015,593 0.011,594 0.011,595 0.459,596 0.17,597 1,598 1.155,599 132.481,600 -0.084,601 -0.145,602 0.042,603 -0.06,604 -0.185,605 0.006,606 -0.002,607 0.196,608 0.14,609 0.193,610 0.2,611 0.18,612 -0.133,613 -0.078,614 -0.008,615 -0.004,616 -0.022,617 0.014,618 -0.027,619 -0.082,620 -0.14,621 -0.134,622 0.007,623 -0.157,624 0.165,625 0.001,626 -0.076,627 -0.11,628 -0.01,629 -0.129,630 0.006,631 -0.053,632 0.07,633 -0.023,634 0.024,635 0.029,636 -0.221,637 0.076,638 -0.159,639 0.014,640 -0.199,641 -0.052,642 -0.122,643 -0.202,644 -0.137,645 -0.17,646 -0.077,647 -0.161,648 1.487,649 2.05,650 0.593,651 22.601,652 1,653 1.136,654 2.942,655 8.656,656 0.645,657 3.401,658 3.714,659 3.989,660 4.248,661 4.5,662 4.585,663 4.644,664 4.71,665 4.787,666 4.796,667 6.016,668 0.612,669 367.5,670 3.401,671 4.934,672 5.784,673 6.663,674 7.533,675 8.419,676 9.296,677 10.183,678 11.063,679 11.951,680 9.6,684 2,686 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,714 1,716 2,718 52,719 17,720 2,721 29,723 54,724 20,725 14,726 6,727 6,729 3,730 4,734 1,739 1,741 14,742 6,754 1,757 25,758 7,759 4,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 3,810 27,811 2,816 3,818 2,821 1,829 3.8,834 2,836 14.5,837 10.1,838 6.194,839 2.985,840 3.301,841 1.456,842 0.972,843 6.113,844 10.541,845 3.651,846 4.277,847 4.888,848 5.488,849 6.084,850 6.364,851 6.685,852 7.034,853 7.424,854 7.533,855 0.857,856 44,857 9.905,859 4.032,860 7.679,861 18.941,863 14.908,865 2.179,866 58.833,868 1,869 1,870 247.193,871 119.568,872 102.49,874 22,877 119.568,878 269.193,879 102.49,880 30.591,881 6.746,882 122.652,883 33.571,884 46.27,885 4.227,886 247.193,888 247.193,889 222.058,890 22,893 223.651,894 45.542,897 19.614,898 168.872,899 33.571,901 247.193,902 124.49,903 119.568,906 247.193,907 32.119,908 90.573,910 121.365,911 247.193,912 124.49,913 119.568,915 0.57,916 0.344,917 0.192,918 0.109,919 18,920 9,921 0.13,922 7,923 1,924 1.125,925 3.729,926 229.384,927 0.125,928 16,929 128.382,933 19.362,934 8.524,935 4.299,936 1.527,937 124.49,938 11.77,939 8.32,943 4.275,945 65.794,946 491.251,947 37.5,956 52,957 59.062,958 0.271,959 0.637,960 0.812,961 0.884,962 0.898,963 0.918,964 4.877,965 1.442,966 5.771,967 4.592,968 4.394,969 4.963,970 1.698,971 6.586,972 4.29,973 6.092,974 1.008,975 7.335,976 3.657,977 4.007,978 4.856,979 0.325,980 7.486,981 3.85,982 7.409,983 0.875,984 8.995,985 2.565,986 5.994,987 7.225,988 1.422,989 10.566,990 5.801,991 8.763,992 0.758,993 10.709,994 1.639,995 6.399,996 7.916,997 0.393,998 12.25,999 6.156,1000 10.146,1001 0.347,1002 12.458,1003 1.286,1004 7.861,1005 9.784,1006 1.2,1007 14.847,1008 7.594,1009 11.55,1010 0.021,1011 14.23,1012 0.486,1013 8.636,1014 10.864,1015 0.384,1016 16.868,1017 8.324,1018 12.971,1019 -0.171,1020 16.018,1021 0.052,1022 9.886,1023 12.518,1024 1.01,1025 19.285,1026 9.551,1027 3.111,1028 -0.445,1029 17.819,1030 -0.316,1031 10.838,1032 13.8,1033 0.351,1034 21.458,1035 10.463,1036 2.94,1037 10.278,1038 19.63,1039 -1.004,1040 12,1041 15.36,1042 0.845,1043 23.805,1044 11.601,1045 2.673,1046 9.446,1047 21.448,1048 4.495,1049 13.036,1050 16.746,1051 0.312,1052 26.048,1053 12.6,1054 2.235,1055 8.593,1056 23.274,1057 3.916,1058 14.165,1059 18.264,1060 0.702,1061 28.367,1062 13.701,1063 2.115,1064 6.492,1065 25.104,1066 3.341,1067 15.241,1068 19.702,1069 0.273,1070 30.643,1071 14.742,1072 1.996,1073 5.95,1074 26.939,1075 2.867,1076 16.358,1077 21.204,1078 0.579,1079 32.954,1080 15.829,1081 1.639,1082 5.794,1083 28.778,1084 2.811,1085 17.453,1086 22.67,1087 0.236,1088 35.248,1089 16.891,1090 7839,1091 12879,1092 18.898,1093 33.552,1094 42.441,1095 43.192,1096 44.885,1097 42.264,1098 42.321,1099 55.34,1100 5.618,1101 121.659,1102 39.991,1103 5.409,1104 5.292,1105 6.29,1106 5.148,1107 5.111,1108 7.495,1109 1.776,1110 17.172,1111 5.006,1112 15.157,1113 1.463,1114 1.489,1115 1.548,1116 1.457,1117 1.459,1118 1.908,1119 0.194,1120 4.195,1121 1.379,1122 4.08,1123 4.116,1124 4.048,1125 3.983,1126 5.308,1127 3.994,1128 3.928,1129 3.948,1130 3.88,1131 3.842,1132 4.982,1133 3.848,1134 3.653,1135 3.723,1136 3.545,1137 3.478,1138 4.915,1139 3.478,1140 3.443,1141 3.518,1142 3.313,1143 3.256,1144 4.697,1145 3.268,1146 3.328,1147 3.376,1148 3.186,1149 3.067,1150 4.602,1151 3.081,1152 3.212,1153 3.293,1154 3.04,1155 2.984,1156 4.275,1157 2.989,1158 3.133,1159 3.236,1160 3.011,1161 2.895,1162 4.135,1163 2.911,1164 3.117,1165 3.211,1166 2.881,1167 2.862,1168 4.064,1169 2.85,1170 0.157,1171 0.114,1172 0.225,1173 0.141,1174 0.107,1175 4.551,1176 0.155,1177 3.292,1178 0.032,1179 6.527,1180 0.354,1181 4.077,1182 0.104,1183 3.111,1184 4.495,1185 0.916,1186 10.278,1187 3.006,1188 2.017,1189 1.989,1190 2.087,1191 2.135,1192 1.274,1193 2.121,1194 1.893,1195 1.875,1196 1.988,1197 2.006,1198 1.13,1199 2,1200 1.636,1201 1.565,1202 1.899,1203 1.839,1204 1.103,1205 1.858,1206 1.39,1207 1.324,1208 1.599,1209 1.626,1210 0.707,1211 1.623,1212 1.249,1213 1.192,1214 1.576,1215 1.569,1216 0.585,1217 1.571,1218 1.185,1219 1.107,1220 1.528,1221 1.467,1222 0.554,1223 1.494,1224 1.117,1225 1.025,1226 1.434,1227 1.387,1228 0.443,1229 1.411,1230 1.047,1231 0.967,1232 1.294,1233 1.38,1234 0.386,1235 1.371,1236 4.078,1238 5.389,1240 6.909,1242 8.527,1244 10.197,1246 5.482,1250 11.743,1252 2.551,1254 10.893,1257 2.27,1262 31.805,1263 80.278,1264 188.8,1265 240.648,1266 262.158,1267 266.158,1268 272.158,1269 40.978,1270 7.241,1271 99.52,1272 99.52,1273 18,1274 12.483,1275 4.17,1276 3.248,1277 46.711,1278 95,1279 97,1280 0.237,1281 198.982,1282 336.24,1283 477.276,1284 12576,1286 19.389,1287 0.718,1288 0.589,1289 19.389,1290 15.898,1291 13.05,1292 0.45,1293 0.305,1294 8.678,1295 12.439,1296 8.378,1297 7.058,1298 13.05,1299 8.839,1300 11.351,1301 0.284,1302 0.157,1303 11.351,1304 6.268,1305 9.581,1306 0.181,1307 0.084,1308 9.581,1309 4.434,1310 8.069,1311 0.117,1312 0.045,1313 8.069,1314 3.136,1315 6.479,1316 0.073,1317 0.024,1318 6.479,1319 2.12,1320 0.364,1321 82.497,1322 0.23,1323 25.561,1324 0.671,1325 138,1326 399.031,1327 152.555,1328 384.824,1329 533.06,1330 362,1331 162,1332 399.232,1333 176.307,1334 407.864,1335 592.28,1336 380,1337 8.276}
{0 CHEMBL492896,1 1.369,2 10.667,3 4.482,4 20.086,5 113.224,6 7.15,7 0.733,8 4.002,9 4.14,10 3.541,11 3.578,12 5.1,13 3.545,14 4.501,15 4.684,16 3.895,17 3.97,18 5.552,19 3.911,20 4.754,21 4.969,22 3.962,23 4.122,24 5.711,25 4.038,26 4.834,27 5.071,28 3.883,29 4.127,30 5.772,31 4.01,32 4.857,33 5.107,34 3.794,35 4.117,36 5.74,37 3.975,38 4.853,39 5.118,40 3.729,41 4.084,42 5.664,43 3.932,44 4.816,45 5.084,46 3.699,47 4.038,48 5.666,49 3.894,50 4.725,51 4.987,52 3.662,53 3.955,54 5.624,55 3.821,56 0.061,57 0.764,58 10.618,59 4.216,60 11.427,61 5.921,62 0.203,63 1.214,64 18.566,65 7.383,66 23.314,67 10.408,68 0.177,69 1.491,70 24.865,71 9.166,72 24.136,73 13.31,74 0.237,75 1.562,76 27.599,77 10.366,78 34.646,79 15.048,80 0.268,81 1.555,82 28.642,83 11.019,84 35.392,85 15.944,86 0.18,87 1.502,88 28.898,89 11.234,90 29.431,91 16.39,92 0.25,93 1.465,94 28.093,95 10.273,96 33.302,97 15.082,98 0.181,99 1.345,100 25.432,101 9.381,102 29.823,103 13.804,104 12,105 42,106 0.228,107 0.568,108 0.738,109 0.856,110 0.871,111 0.885,112 3.34,113 0.919,114 -5.73,115 -5.59,116 -5.21,119 44,120 1,121 1,125 2,139 10,140 4,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 14,169 1,170 7,172 3,173 3,175 1,178 16,180 1,182 8,187 1,189 14,191 1,193 3,195 1,196 1,197 1,198 3,200 2,201 11,204 3,205 1,206 2,207 3,209 1,210 1,212 3,215 15,218 3,221 2,229 14,234 5,236 1,237 1,239 2,241 12,243 2,246 6,251 3,254 12,256 3,260 4,265 4,268 9,270 4,273 1151,274 18.472,275 18.472,276 18.472,277 18.472,278 18.472,279 15.893,280 18.133,281 10.975,282 18.752,283 14.813,284 14.813,285 14.813,286 14.813,287 14.813,288 10.955,289 24.996,290 5.164,291 15.295,292 4.275,293 2.234,294 1.215,295 0.51,296 0.415,297 0.335,298 4.04,301 1,302 1,303 632,304 3.162,307 280.307,311 237.963,314 1.605,315 15.789,317 1,318 0.75,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.84,326 56.5,327 288,328 4.551,329 3.234,330 6.526,331 4.074,332 3.108,333 4.495,334 0.916,335 10.271,336 3.006,337 4.408,338 3.038,339 6.197,340 3.93,341 2.936,342 4.336,343 0.172,344 9.285,345 2.923,346 3.979,347 2.878,348 6.096,349 3.683,350 2.739,351 3.366,353 8.902,354 2.58,355 3.623,356 2.401,357 5.245,358 3.216,359 2.235,360 3.046,362 6.624,363 2.196,364 3.448,365 2.209,366 5.064,367 3.013,368 2.08,369 2.811,371 5.91,372 1.928,373 3.417,374 2.066,375 5.01,376 2.937,377 1.99,378 2.772,380 5.793,381 1.881,382 3.118,383 1.624,384 4.427,385 2.618,386 1.618,387 2.427,389 4.385,390 1.618,391 2.907,392 1.618,393 4.319,394 2.505,395 1.531,396 2.097,398 4.021,399 1.488,400 2.733,401 1.42,402 3.708,403 2.397,404 1.4,405 1.775,407 2.998,408 1.396,409 2.446,410 1.059,411 3.616,412 1.984,413 1.009,414 1.423,415 2.565,416 0.982,417 2.196,418 0.995,419 3.207,420 1.884,421 0.907,422 1.074,423 1.747,424 0.885,425 1.963,426 0.702,427 3.092,428 1.672,429 0.676,430 0.903,431 1.468,432 0.673,433 1.391,434 0.203,435 2.863,436 0.988,437 0.036,438 0.047,439 0.094,440 0.034,441 1.157,442 0.033,443 2.655,444 0.83,445 -0.138,446 -0.165,448 -0.291,449 -0.134,450 0.966,451 -0.298,452 2.505,453 0.48,454 -0.445,455 -0.573,457 -1.114,458 -0.41,459 13,460 0.481,461 0.623,462 0.023,463 38.75,464 1.435,465 21.5,466 0.796,467 17.25,468 0.639,469 20.145,470 0.746,471 27.8,472 0.556,473 27.656,474 1.024,475 7.476,476 0.277,477 5.659,478 0.21,479 0.1,481 0.338,485 1.121,486 1.164,487 0.858,488 0.939,489 1.269,490 0.883,491 0.707,492 0.955,493 0.839,494 0.941,495 0.434,496 0.91,497 1.123,498 1.101,499 0.975,500 0.996,501 0.783,502 0.975,503 0.92,504 1.058,505 1.041,506 1.087,507 0.711,508 1.078,509 0.785,510 0.952,511 1.063,512 1.09,513 0.942,514 1.102,515 0.735,516 1.012,517 0.971,518 1.065,519 0.781,520 1.046,521 0.99,522 0.88,523 1.027,524 0.961,525 0.998,526 0.991,527 0.929,528 1.022,529 0.968,530 1.009,531 0.815,532 0.996,533 5.5,534 0.148,535 2.889,536 1.625,537 1.813,538 0.722,539 0.545,540 0.523,541 0.242,542 0.225,543 8962,544 20788,545 2.12,546 46,547 3,548 14,551 4,553 2,555 1.702,556 2,557 3.379,558 1.624,560 1,564 68.434,565 1.369,566 3.409,567 4.429,568 5.134,569 5.229,570 5.309,571 2.876,572 4.385,573 4.728,574 3.521,575 1235.7,576 8.216,577 15708.2,579 1,581 1,582 282.193,583 1.352,584 4.694,585 0.183,586 0.008,587 0.069,588 0.037,589 0.046,590 0.021,591 0.017,592 0.016,593 0.008,594 0.009,595 0.414,597 0.88,598 0.881,599 133.234,600 -0.109,601 -0.003,602 0.035,603 0.06,604 -0.232,605 0.062,606 0.288,607 0.14,608 0.087,609 0.053,610 0.297,611 0.05,612 -0.103,613 -0.055,614 -0.023,615 -0.015,616 -0.007,617 -0.011,618 0.031,619 -0.057,620 -0.078,621 -0.101,622 0.116,623 -0.101,624 0.082,625 0.014,626 -0.097,627 -0.093,628 -0.051,629 -0.11,630 0.011,631 -0.091,632 -0.001,633 -0.052,634 -0.05,635 -0.032,636 -0.058,637 0.075,638 -0.042,639 0.025,640 -0.117,641 -0.001,642 -0.031,643 -0.071,644 0.012,645 -0.018,646 0.078,647 -0.002,648 1.464,649 2.065,650 0.741,651 23.144,652 0.989,653 1.125,654 4.497,655 20.226,656 0.678,657 3.434,658 3.761,659 4.043,660 4.331,661 4.595,662 4.644,663 4.762,664 4.913,665 4.997,666 4.949,667 6.257,668 0.637,669 357.5,670 3.434,671 4.977,672 5.832,673 6.715,674 7.587,675 8.474,676 9.352,677 10.24,678 11.121,679 12.009,680 10,684 2,686 1,690 2,694 4,695 10,696 2,700 4,702 22,711 2,714 1,718 50,719 22,720 3,721 30,723 53,724 22,725 18,726 6,727 10,729 4,730 6,734 1,739 1,741 18,742 4,754 1,757 23,758 5,759 4,760 5,764 5,769 0.5,776 1,781 4,785 2,802 2,806 1,810 27,811 2,816 3,821 1,836 13.5,837 9.1,838 5.944,839 3.068,840 4.397,841 1.577,842 1.035,843 4.823,844 12.021,845 3.738,846 4.407,847 5.055,848 5.698,849 6.328,850 6.624,851 7.013,852 7.422,853 7.81,854 7.811,855 1,856 44,857 9.927,859 4.176,860 7.568,861 19.286,863 15.92,865 2.068,866 55.833,868 1,869 1,870 223.651,871 130.366,872 102.49,877 130.366,878 223.651,879 102.49,880 8.825,881 6.746,882 160.557,883 33.571,884 18.93,885 4.227,886 223.651,888 223.651,889 232.856,893 200.109,894 23.542,897 19.614,898 179.67,899 33.571,901 223.651,902 102.49,903 130.366,906 223.651,907 26.778,908 106.712,910 99.365,911 223.651,912 102.49,913 130.366,915 0.577,916 0.34,917 0.194,918 0.111,919 21,920 9,921 0.094,922 5,923 2,924 1.2,925 3.879,926 235.262,927 0.2,928 20,929 128.382,933 17.564,934 7.414,935 3.668,936 4.127,937 102.49,938 21.175,939 8.361,943 3.011,945 65.794,946 456.507,947 41,956 49.461,957 56.228,958 0.243,959 0.604,960 0.785,961 0.91,962 0.926,963 0.941,964 4.959,965 1.531,966 5.814,967 4.385,968 4.443,969 5.094,970 0.918,971 6.624,972 4.382,973 6.185,974 1.4,975 7.368,976 4.021,977 4.007,978 4.956,979 0.325,980 7.486,981 3.9,982 7.502,983 1.009,984 9.02,985 2.998,986 6.033,987 7.401,988 0.671,989 10.588,990 5.913,991 8.857,992 0.907,993 10.728,994 2.565,995 6.399,996 8.087,997 0.393,998 12.257,999 6.238,1000 10.242,1001 0.676,1002 12.473,1003 1.747,1004 7.895,1005 10.004,1006 0.533,1007 14.861,1008 7.722,1009 11.65,1010 0.036,1011 14.242,1012 1.468,1013 8.646,1014 11.098,1015 0.384,1016 16.875,1017 8.439,1018 13.075,1019 -0.138,1020 16.028,1021 0.094,1022 9.915,1023 12.781,1024 0.438,1025 19.292,1026 9.694,1027 3.108,1028 -0.445,1029 17.828,1030 -0.291,1031 10.854,1032 14.081,1033 0.351,1034 21.46,1035 10.603,1036 2.936,1037 10.271,1038 19.638,1039 -1.114,1040 12.027,1041 15.656,1042 0.366,1043 23.804,1044 11.758,1045 2.739,1046 9.285,1047 21.456,1048 4.495,1049 13.055,1050 17.057,1051 0.312,1052 26.042,1053 12.758,1054 2.235,1055 8.902,1056 23.28,1057 4.336,1058 14.187,1059 18.584,1060 0.309,1061 28.359,1062 13.871,1063 2.08,1064 6.624,1065 25.11,1066 3.366,1067 15.258,1068 20.032,1069 0.273,1070 30.631,1071 14.915,1072 1.99,1073 5.91,1074 26.944,1075 3.046,1076 16.376,1077 21.538,1078 0.262,1079 32.938,1080 16.01,1081 1.618,1082 5.793,1083 28.781,1084 2.811,1085 17.467,1086 23.009,1087 0.236,1088 35.228,1089 17.076,1090 8458,1091 13025,1092 20.285,1093 33.881,1094 44.826,1095 44.574,1096 45.943,1097 44.581,1098 44.531,1099 61.146,1100 2.178,1101 128.126,1102 43.182,1103 5.395,1104 5.234,1105 6.289,1106 5.146,1107 5.108,1108 7.495,1109 1.605,1110 17.165,1111 5.006,1112 11.708,1113 1.494,1114 1.486,1115 1.531,1116 1.486,1117 1.484,1118 2.038,1119 0.073,1120 4.271,1121 1.439,1122 4.112,1123 4.142,1124 4.069,1125 4.058,1126 5.308,1127 4.055,1128 4.04,1129 4.069,1130 4.005,1131 3.961,1132 4.982,1133 3.97,1134 3.689,1135 3.759,1136 3.59,1137 3.532,1138 4.9,1139 3.534,1140 3.494,1141 3.554,1142 3.373,1143 3.395,1144 4.698,1145 3.379,1146 3.43,1147 3.496,1148 3.311,1149 3.248,1150 4.358,1151 3.264,1152 3.145,1153 3.238,1154 3.026,1155 3.004,1156 4.217,1157 2.993,1158 3.123,1159 3.215,1160 2.986,1161 2.916,1162 4.064,1163 2.925,1164 3.013,1165 3.077,1166 2.877,1167 2.844,1168 3.876,1169 2.848,1170 0.152,1171 0.108,1172 0.218,1173 0.136,1174 0.104,1175 4.551,1176 0.15,1177 3.234,1178 0.031,1179 6.526,1180 0.342,1181 4.074,1182 0.1,1183 3.108,1184 4.495,1185 0.916,1186 10.271,1187 3.006,1188 2.081,1189 2.061,1190 2.168,1191 2.15,1192 1.328,1193 2.154,1194 2.008,1195 1.98,1196 2.073,1197 2.11,1198 1.227,1199 2.104,1200 1.666,1201 1.602,1202 1.911,1203 1.864,1204 1.119,1205 1.88,1206 1.517,1207 1.465,1208 1.721,1209 1.663,1210 0.879,1211 1.688,1212 1.372,1213 1.309,1214 1.529,1215 1.585,1216 0.578,1217 1.583,1218 1.14,1219 1.076,1220 1.406,1221 1.386,1222 0.422,1223 1.377,1224 1.055,1225 0.987,1226 1.298,1227 1.351,1228 0.386,1229 1.37,1230 1.013,1231 0.933,1232 1.291,1233 1.193,1234 0.318,1235 1.23,1236 4.111,1238 5.434,1240 6.963,1242 8.591,1244 10.267,1246 2.187,1250 11.77,1252 2.841,1257 2.36,1262 31.848,1263 68.434,1264 170.47,1265 221.464,1266 256.683,1267 261.438,1268 265.438,1269 33.643,1270 7.624,1271 81.06,1272 81.06,1273 24,1274 12.541,1275 4.524,1276 3.585,1277 40.146,1278 99,1279 97,1280 0.193,1281 196.926,1282 324.72,1283 472.259,1284 21684,1286 18.803,1287 0.696,1288 0.57,1289 18.803,1290 15.391,1291 13.135,1292 0.438,1293 0.306,1294 9.114,1295 12.836,1296 8.866,1297 7.415,1298 13.135,1299 9.192,1300 11.819,1301 0.281,1302 0.161,1303 11.819,1304 6.772,1305 9.909,1306 0.177,1307 0.085,1308 9.909,1309 4.772,1310 8.672,1311 0.116,1312 0.046,1313 8.672,1314 3.482,1315 7.227,1316 0.074,1317 0.025,1318 7.227,1319 2.46,1320 0.3,1321 80.781,1322 0.222,1323 25.793,1324 0.535,1325 144,1326 337.56,1327 152.798,1328 344.82,1329 490.64,1330 324,1331 170,1332 381.141,1333 178.659,1334 393.059,1335 574.84,1336 371,1337 7.77}
{0 CHEMBL493717,1 1.411,2 9.182,3 3.05,4 9.3,5 92.25,6 7.156,7 0.708,8 3.805,9 3.951,10 3.338,11 3.342,12 4.932,13 3.317,14 4.286,15 4.478,16 3.676,17 3.709,18 5.372,19 3.657,20 4.513,21 4.733,22 3.722,23 3.845,24 5.493,25 3.772,26 4.583,27 4.815,28 3.647,29 3.86,30 5.566,31 3.748,32 4.65,33 4.916,34 3.554,35 3.858,36 5.558,37 3.717,38 4.59,39 4.858,40 3.436,41 3.799,42 5.436,43 3.644,44 4.517,45 4.8,46 3.292,47 3.658,48 5.409,49 3.5,50 4.308,51 4.605,52 3.08,53 3.391,54 5.214,55 3.244,56 0.052,57 0.647,58 8.796,59 3.266,60 10.362,61 4.716,62 0.186,63 0.991,64 15.163,65 5.642,66 21.285,67 8.124,68 0.161,69 1.178,70 19.706,71 6.606,72 20.027,73 9.933,74 0.182,75 1.215,76 21.341,77 7.77,78 28.908,79 11.477,80 0.261,81 1.225,82 23.776,83 8.492,84 33.293,85 12.601,86 0.15,87 1.128,88 22.302,89 8.326,90 25.288,91 12.363,92 0.212,93 1.034,94 21.22,95 7.183,96 31.267,97 10.888,98 0.17,99 0.826,100 17.503,101 5.417,102 26.712,103 8.47,104 11,105 33,106 0.248,107 0.601,108 0.738,109 0.841,110 0.853,111 0.853,112 3.147,113 0.911,114 -4.74,115 -4.65,116 -4.37,119 41.5,120 1,125 2,139 8,140 2,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 7,172 3,173 3,175 1,178 8,180 1,182 7,187 1,189 5,191 1,193 3,195 1,196 1,197 1,198 3,200 2,201 5,204 3,205 1,206 2,207 2,209 1,210 1,212 3,215 10,218 3,229 10,234 4,236 1,237 1,239 2,241 7,243 2,246 4,251 2,254 2,256 2,260 4,265 4,270 4,273 624,274 14.955,275 14.955,276 14.955,277 14.955,278 14.955,279 12.892,280 18.133,281 8.872,282 15.271,283 11.803,284 11.803,285 11.803,286 11.803,287 11.803,288 8.773,289 24.996,290 4.16,291 12.295,292 3.947,293 1.943,294 1.159,295 0.573,296 0.506,297 0.506,298 3.828,300 1,301 1,302 1,303 432,304 2.828,307 182.819,311 94.324,314 1.38,315 13.465,316 1,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 46.5,327 202,328 4.551,329 3.225,330 6.526,331 4.072,332 3.106,333 4.495,334 0.916,335 10.267,336 3.003,337 4.027,338 3.01,339 6.108,340 3.73,341 2.785,342 3.486,343 0.172,344 8.938,345 2.642,346 3.812,347 2.57,348 5.319,349 3.398,350 2.414,351 3.302,353 6.874,354 2.366,355 3.466,356 2.222,357 5.065,358 3.025,359 2.102,360 2.811,362 5.914,363 1.934,364 3.42,365 2.069,366 5.011,367 2.938,368 1.993,369 2.791,371 5.793,372 1.882,373 2.941,374 1.649,375 4.305,376 2.528,377 1.545,378 2.111,380 3.933,381 1.518,382 2.623,383 1.428,384 3.708,385 2.292,386 1.317,387 1.651,389 2.942,390 1.281,391 2.5,392 1.057,393 3.572,394 2,395 1.004,396 1.5,398 2.565,399 1,400 2.439,401 1,402 3.247,403 1.977,404 1,405 1.415,407 2.136,408 0.975,409 1.468,410 0.502,411 2.809,412 1.32,413 0.35,414 0.375,415 0.545,416 0.339,417 1.349,418 0.167,419 2.732,420 0.966,421 0.022,422 0.029,423 0.057,424 0.021,425 0.976,426 -0.248,427 2.598,428 0.542,429 -0.414,430 -0.518,431 -0.944,432 -0.389,433 0.817,434 -0.308,435 2.454,436 0.463,437 -0.483,438 -0.598,439 -1.172,440 -0.461,441 0.567,442 -0.707,443 2.091,444 0.15,445 -0.815,446 -1.074,448 -2.115,449 -0.78,450 0.5,451 -0.792,452 1.612,453 0.068,454 -0.89,455 -1.191,457 -2.347,458 -0.86,459 10.5,460 0.477,461 0.503,462 0.023,463 31.75,464 1.443,465 17.5,466 0.795,467 14.25,468 0.648,469 14.711,470 0.669,471 23.1,472 0.563,473 21.39,474 0.972,475 6.292,476 0.286,477 4.377,478 0.199,479 0.124,481 0.324,485 1.154,486 1.257,487 0.869,488 0.978,489 1.313,490 0.904,491 0.721,492 0.991,493 0.828,494 0.956,495 0.43,496 0.914,497 1.218,498 1.126,499 0.998,500 0.988,501 0.827,502 0.97,503 0.835,504 1.172,505 1.061,506 1.205,507 0.705,508 1.168,509 0.798,510 0.867,511 1.021,512 1.018,513 0.941,514 1.042,515 0.723,516 1.01,517 0.992,518 1.101,519 0.816,520 1.083,521 0.966,522 0.903,523 1.057,524 1.005,525 1.042,526 1.036,527 1.146,528 0.941,529 0.993,530 0.908,531 1.087,532 0.928,533 4.5,534 0.062,535 2.222,536 1.375,537 1.449,538 0.639,539 0.344,540 0.351,541 0.168,542 0.086,543 4824,544 11818,545 2.07,546 46.3,548 12,551 4,553 3,555 1.646,556 1.941,557 3.181,558 1.825,559 1,560 1,562 1,564 57.853,565 1.411,566 3.415,567 4.199,568 4.784,569 4.851,570 4.851,571 2.681,572 3.88,573 4.431,574 3.293,575 760.784,576 7.619,577 8243.54,578 1,579 1,581 1,582 219.66,583 1.395,584 4.392,585 0.188,586 0.009,587 0.067,588 0.04,589 0.048,590 0.024,591 0.014,592 0.018,593 0.011,594 0.007,595 0.426,596 0.17,597 1,598 0.797,599 100.524,600 -0.138,601 -0.054,602 0.026,603 0.042,604 -0.271,605 0.052,606 0.295,607 0.127,608 0.102,609 0.045,610 0.305,611 0.049,612 -0.162,613 -0.058,614 -0.046,615 -0.011,616 -0.046,617 -0.014,618 0.059,619 -0.162,620 -0.116,621 -0.205,622 0.129,623 -0.186,624 0.082,625 0.085,626 -0.052,627 -0.026,628 -0.035,629 -0.05,630 -0.009,631 -0.097,632 -0.035,633 -0.079,634 -0.071,635 -0.063,636 -0.048,637 0.019,638 -0.071,639 -0.03,640 -0.096,641 -0.049,642 -0.104,643 -0.03,644 0.019,645 0.037,646 -0.039,647 0.042,648 1.464,649 1.97,650 0.727,651 16.909,652 0.993,653 1.132,654 3.508,655 12.304,656 0.667,657 3.219,658 3.526,659 3.784,660 4.043,661 4.277,662 4.29,663 4.369,664 4.454,665 4.489,666 4.369,667 5.371,668 0.629,669 293.41,670 3.219,671 4.745,672 5.587,673 6.46,674 7.321,675 8.199,676 9.067,677 9.948,678 10.82,679 11.703,680 12.2,684 2,686 1,690 2,694 2,695 8,696 2,700 4,702 17,711 2,714 1,718 41,719 17,720 2,721 24,723 43,724 17,725 14,726 4,727 8,729 3,730 4,734 1,741 14,742 3,753 1,754 1,757 19,758 5,759 4,760 5,764 5,769 0.667,776 1,781 3,785 1,802 2,806 1,810 22,811 2,816 2,821 1,836 11.333,837 7.433,838 4.917,839 2.422,840 3.195,841 1.468,842 1.012,843 4.117,844 10.021,845 3.512,846 4.143,847 4.747,848 5.357,849 5.954,850 6.191,851 6.555,852 6.931,853 7.295,854 7.304,855 1,856 34,857 8.064,859 3.335,860 7.636,861 15.506,863 12.462,865 2.136,866 47,869 1,870 176.567,871 103.733,872 102.49,877 103.733,878 176.567,879 102.49,880 8.825,881 4.211,882 141.604,883 33.571,884 13.784,885 4.227,886 176.567,888 176.567,889 206.223,893 141.253,894 35.313,897 17.08,898 155.572,899 33.571,901 176.567,902 102.49,903 103.733,906 176.567,907 19.098,908 87.759,910 99.365,911 176.567,912 102.49,913 103.733,915 0.575,916 0.338,917 0.188,918 0.104,919 16,920 7,921 0.093,922 4,923 1,924 1.125,925 3.411,926 171.407,927 0.125,928 16,929 94.107,933 14.606,934 6.2,935 3.149,936 1.6,937 102.49,938 16.391,939 8.253,943 2.986,945 65.794,946 382.789,947 32.5,956 40.694,957 46.398,958 0.263,959 0.637,960 0.784,961 0.893,962 0.906,963 0.906,964 4.721,965 1.004,966 5.565,967 2.942,968 4.205,969 4.828,970 0.918,971 6.358,972 4.127,973 5.933,974 1,975 7.111,976 2.565,977 3.761,978 4.62,979 0.325,980 7.209,981 3.622,982 7.239,983 0.35,984 8.755,985 2.136,986 5.778,987 7.079,988 0.671,989 10.302,990 5.621,991 8.58,992 0.022,993 10.458,994 0.545,995 6.133,996 7.692,997 0.393,998 11.969,999 5.918,1000 9.952,1001 -0.414,1002 12.197,1003 0.057,1004 7.624,1005 9.626,1006 0.533,1007 14.576,1008 7.394,1009 11.346,1010 -0.483,1011 13.963,1012 -0.944,1013 8.366,1014 10.664,1015 0.384,1016 16.597,1017 8.084,1018 12.759,1019 -0.815,1020 15.747,1021 -1.172,1022 9.633,1023 12.36,1024 0.438,1025 19.022,1026 9.332,1027 3.106,1028 -0.89,1029 17.546,1030 -2.115,1031 10.567,1032 13.627,1033 0.351,1034 21.203,1035 10.22,1036 2.785,1037 10.267,1038 19.356,1039 -2.347,1040 11.74,1041 15.212,1042 0.366,1043 23.558,1044 11.368,1045 2.414,1046 8.938,1047 21.175,1048 4.495,1049 12.768,1050 16.598,1051 0.312,1052 25.811,1053 12.355,1054 2.102,1055 6.874,1056 23.002,1057 3.486,1058 13.902,1059 18.134,1060 0.309,1061 28.141,1062 13.462,1063 1.993,1064 5.914,1065 24.835,1066 3.302,1067 14.976,1068 19.58,1069 0.273,1070 30.427,1071 14.499,1072 1.545,1073 5.793,1074 26.673,1075 2.811,1076 16.098,1077 21.095,1078 0.262,1079 32.748,1080 15.591,1081 1.317,1082 3.933,1083 28.515,1084 2.791,1085 17.195,1086 22.57,1087 0.236,1088 35.051,1089 16.653,1090 4709,1091 7491,1092 16.008,1093 27.358,1094 35.409,1095 35.342,1096 36.338,1097 35.321,1098 35.275,1099 47.93,1100 2.178,1101 99.928,1102 33.922,1103 5.377,1104 5.225,1105 6.328,1106 5.144,1107 5.106,1108 7.495,1109 1.605,1110 17.161,1111 5.003,1112 9.981,1113 1.475,1114 1.473,1115 1.514,1116 1.472,1117 1.47,1118 1.997,1119 0.091,1120 4.164,1121 1.413,1122 4.077,1123 4.114,1124 4.045,1125 3.981,1126 5.308,1127 3.992,1128 3.903,1129 3.938,1130 3.832,1131 3.84,1132 4.982,1133 3.833,1134 3.603,1135 3.677,1136 3.513,1137 3.407,1138 4.766,1139 3.422,1140 3.374,1141 3.454,1142 3.235,1143 3.185,1144 4.685,1145 3.19,1146 3.134,1147 3.237,1148 3.021,1149 2.973,1150 4.257,1151 2.955,1152 3.116,1153 3.204,1154 2.926,1155 2.896,1156 4.018,1157 2.912,1158 2.854,1159 2.925,1160 2.687,1161 2.735,1162 3.804,1163 2.715,1164 2.807,1165 2.892,1166 2.669,1167 2.604,1168 3.725,1169 2.613,1170 0.19,1171 0.134,1172 0.272,1173 0.17,1174 0.129,1175 4.551,1176 0.187,1177 3.225,1178 0.038,1179 6.526,1180 0.428,1181 4.072,1182 0.125,1183 3.106,1184 4.495,1185 0.916,1186 10.267,1187 3.003,1188 2.017,1189 1.988,1190 2.091,1191 2.134,1192 1.247,1193 2.121,1194 1.903,1195 1.873,1196 2.022,1197 1.994,1198 1.124,1199 2.007,1200 1.562,1201 1.488,1202 1.821,1203 1.785,1204 0.974,1205 1.797,1206 1.334,1207 1.262,1208 1.525,1209 1.571,1210 0.641,1211 1.573,1212 1.139,1213 1.066,1214 1.422,1215 1.386,1216 0.399,1217 1.383,1218 1.048,1219 0.969,1220 1.294,1221 1.349,1222 0.219,1223 1.371,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1228 0.218,1229 1.107,1230 0.78,1231 0.694,1232 1.087,1233 1.023,1234 0.107,1235 1.048,1236 3.892,1238 5.198,1240 6.713,1242 8.323,1244 9.982,1246 2.135,1250 11.609,1252 1.745,1257 2.282,1262 25.795,1263 57.853,1264 140.008,1265 172.15,1266 196.15,1267 198.905,1268 198.905,1269 26.491,1270 6.825,1271 81.06,1272 81.06,1273 18,1274 12.24,1275 4.17,1276 3.248,1277 34.422,1278 70,1279 68,1280 0.243,1281 162.212,1282 266.76,1283 387.558,1284 7486,1286 15.527,1287 0.706,1288 0.57,1289 15.527,1290 12.529,1291 10.669,1292 0.445,1293 0.304,1294 7.209,1295 10.361,1296 7.012,1297 5.867,1298 10.669,1299 7.287,1300 9.459,1301 0.287,1302 0.157,1303 9.459,1304 5.168,1305 7.851,1306 0.183,1307 0.086,1308 7.851,1309 3.689,1310 6.686,1311 0.119,1312 0.045,1313 6.686,1314 2.545,1315 5.368,1316 0.076,1317 0.024,1318 5.368,1319 1.725,1320 0.374,1321 65.983,1322 0.25,1323 21.556,1324 0.686,1325 114,1326 283.56,1327 122.798,1328 288.047,1329 405.96,1330 270,1331 133,1332 313.141,1333 141.493,1334 321.435,1335 467.7,1336 303,1337 8.387}
{0 CHEMBL493718,1 1.383,2 10.077,3 3.958,4 15.666,5 108.7,6 7.308,7 0.759,8 3.948,9 4.084,10 3.506,11 3.528,12 5.069,13 3.499,14 4.436,15 4.614,16 3.868,17 3.919,18 5.514,19 3.867,20 4.68,21 4.886,22 3.949,23 4.081,24 5.66,25 4.009,26 4.765,27 4.977,28 3.884,29 4.109,30 5.751,31 3.999,32 4.858,33 5.115,34 3.774,35 4.091,36 5.748,37 3.948,38 4.794,39 5.06,40 3.688,41 4.026,42 5.617,43 3.881,44 4.72,45 4.976,46 3.635,47 3.972,48 5.629,49 3.832,50 4.643,51 4.915,52 3.477,53 3.837,54 5.534,55 3.685,56 0.056,57 0.724,58 9.693,59 3.871,60 11.124,61 5.354,62 0.193,63 1.148,64 16.898,65 6.751,66 22.198,67 9.415,68 0.17,69 1.406,70 22.475,71 8.315,72 20.798,73 11.887,74 0.181,75 1.491,76 24.586,77 9.79,78 30.679,79 13.915,80 0.279,81 1.555,82 28.829,83 10.872,84 37.645,85 15.731,86 0.188,87 1.422,88 27.326,89 10.455,90 28.235,91 15.206,92 0.223,93 1.349,94 25.061,95 9.361,96 32.925,97 13.553,98 0.185,99 1.223,100 23.686,101 8.65,102 31.187,103 12.674,104 11,105 41,106 0.233,107 0.568,108 0.723,109 0.842,110 0.876,111 0.891,112 3.305,113 0.9,114 -5.51,115 -5.38,116 -5.03,119 44.7,120 1,125 2,139 10,140 4,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 13,169 1,170 7,172 3,173 3,175 1,178 16,180 1,182 7,187 1,189 14,191 1,193 4,195 1,196 1,197 1,198 3,200 2,201 11,204 3,205 1,206 2,207 4,209 1,210 1,212 3,215 12,218 3,221 1,229 13,234 4,236 1,237 1,239 2,241 15,243 2,246 4,251 2,254 9,256 2,260 6,265 5,268 2,270 5,273 968,274 17.817,275 17.817,276 17.817,277 17.817,278 17.817,279 15.218,280 18.133,281 10.413,282 18.133,283 14.269,284 14.269,285 14.269,286 14.269,287 14.269,288 10.402,289 24.996,290 4.85,291 14.759,292 4.172,293 2.188,294 1.266,295 0.559,296 0.356,297 0.271,298 4.004,300 1,301 1,302 1,303 576,304 3,307 253.493,311 216.053,314 1.467,315 15.11,317 1,318 0.75,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.84,326 54.5,327 262,328 4.553,329 3.264,330 6.543,331 4.088,332 3.117,333 4.495,334 0.916,335 10.343,336 3.048,337 4.495,338 3.097,339 6.503,340 4.024,341 3.034,342 4.43,343 0.172,344 10.185,345 2.988,346 3.955,347 2.888,348 6.077,349 3.646,350 2.706,351 3.352,353 8.801,354 2.54,355 3.535,356 2.278,357 5.199,358 3.106,359 2.151,360 2.924,362 6.265,363 2.077,364 3.432,365 2.163,366 5.064,367 2.988,368 2.033,369 2.811,371 5.888,372 1.916,373 3.407,374 2.058,375 5.011,376 2.932,377 1.98,378 2.76,380 5.793,381 1.879,382 3.118,383 1.618,384 4.364,385 2.618,386 1.618,387 2.427,389 4.026,390 1.618,391 2.778,392 1.554,393 4.101,394 2.398,395 1.434,396 1.909,398 3.649,399 1.379,400 2.7,401 1.275,402 3.708,403 2.266,404 1.267,405 1.748,407 2.818,408 1.265,409 2.445,410 1.057,411 3.59,412 1.978,413 1.004,414 1.422,415 2.565,416 0.976,417 2.316,418 1.006,419 3.325,420 1.897,421 0.903,422 1.244,423 2.06,424 0.897,425 1.479,426 0.458,427 2.831,428 1.31,429 0.337,430 0.371,431 0.544,432 0.327,433 1.388,434 0.17,435 2.761,436 0.984,437 0.034,438 0.045,439 0.088,440 0.033,441 1.023,442 -0.18,443 2.598,444 0.663,445 -0.313,446 -0.398,448 -0.696,449 -0.305,450 0.953,451 -0.301,452 2.456,453 0.475,454 -0.452,455 -0.582,457 -1.161,458 -0.418,459 12.5,460 0.481,461 0.606,462 0.023,463 38.25,464 1.471,465 21.5,466 0.827,467 16.75,468 0.644,469 18.511,470 0.712,471 26.5,472 0.564,473 27.24,474 1.048,475 7.514,476 0.289,477 5.138,478 0.198,479 0.104,481 0.352,485 1.127,486 1.149,487 0.837,488 0.912,489 1.285,490 0.856,491 0.71,492 0.929,493 0.812,494 0.908,495 0.444,496 0.878,497 1.168,498 1.041,499 0.961,500 0.937,501 0.788,502 0.928,503 0.801,504 1.194,505 1.097,506 1.244,507 0.715,508 1.21,509 0.814,510 0.939,511 1.055,512 1.07,513 0.935,514 1.085,515 0.793,516 0.934,517 0.957,518 0.997,519 0.765,520 0.995,521 0.969,522 0.898,523 1.08,524 1.018,525 0.991,526 1.053,527 0.979,528 0.96,529 1.046,530 1.021,531 1.034,532 1.037,533 5,534 0.103,535 3.111,536 1.75,537 1.693,538 0.84,539 0.467,540 0.382,541 0.274,542 0.177,543 7913,544 18917,545 2.124,546 44.7,548 14,551 4,553 3,555 1.692,556 2,557 3.298,558 1.659,560 1,564 64.979,565 1.383,566 3.366,567 4.289,568 4.996,569 5.198,570 5.283,571 2.719,572 4.287,573 4.676,574 3.434,575 1115.96,576 8.109,577 13622.8,579 1,581 1,582 261.066,583 1.37,584 4.637,585 0.172,586 0.006,587 0.076,588 0.04,589 0.043,590 0.025,591 0.015,592 0.013,593 0.011,594 0.008,595 0.409,597 0.88,598 0.721,599 125.965,600 -0.123,601 -0.001,602 0.033,603 0.065,604 -0.26,605 0.066,606 0.286,607 0.161,608 0.098,609 0.072,610 0.281,611 0.066,612 -0.145,613 0.013,614 -0.023,615 0.035,616 -0.025,617 0.022,618 0.054,619 -0.191,620 -0.165,621 -0.25,622 0.094,623 -0.235,624 0.079,625 0.012,626 -0.076,627 -0.079,628 -0.055,629 -0.092,630 -0.014,631 -0.018,632 0.025,633 0.015,634 -0.029,635 0.022,636 -0.078,637 0.057,638 -0.104,639 -0.026,640 -0.092,641 -0.06,642 -0.085,643 -0.031,644 -0.052,645 -0.03,646 -0.103,647 -0.036,648 1.467,649 2.045,650 0.769,651 20,652 0.991,653 1.124,654 4.279,655 18.306,656 0.683,657 3.401,658 3.738,659 4.043,660 4.331,661 4.585,662 4.635,663 4.736,664 4.836,665 4.942,666 4.89,667 5.928,668 0.645,669 343.47,670 3.401,671 4.949,672 5.814,673 6.703,674 7.583,675 8.476,676 9.36,677 10.253,678 11.139,679 12.032,680 10.6,684 2,686 1,690 2,694 4,695 10,696 2,700 4,702 22,711 2,714 1,718 47,719 22,720 3,721 29,723 50,724 21,725 18,726 6,727 10,729 4,730 6,734 1,741 18,742 3,754 1,757 21,758 5,759 4,760 5,764 5,769 0.5,776 1,781 4,785 2,802 2,806 1,810 26,811 2,816 2,821 1,836 13,837 8.6,838 5.722,839 2.825,840 4.468,841 1.589,842 1.043,843 4.353,844 12.054,845 3.714,846 4.394,847 5.063,848 5.71,849 6.325,850 6.618,851 7.005,852 7.389,853 7.793,854 7.81,855 0.857,856 44,857 9.547,859 4.032,860 7.59,861 18.47,863 15.257,865 2.09,866 54.333,869 1,870 200.109,871 127.831,872 102.49,877 127.831,878 200.109,879 102.49,880 8.825,881 4.211,882 160.557,883 33.571,884 18.93,885 4.227,886 200.109,888 200.109,889 230.321,893 164.795,894 35.313,897 17.08,898 179.67,899 33.571,901 200.109,902 102.49,903 127.831,906 200.109,907 24.244,908 106.712,910 99.365,911 200.109,912 102.49,913 127.831,915 0.581,916 0.352,917 0.2,918 0.11,919 21,920 9,921 0.08,922 4,923 2,924 1.2,925 3.754,926 226.787,927 0.2,928 20,929 120.211,933 16.615,934 6.811,935 3.193,936 4.13,937 102.49,938 20.966,939 8.335,943 3.001,945 65.794,946 430.43,947 40,956 46.578,957 52.813,958 0.249,959 0.606,960 0.772,961 0.899,962 0.936,963 0.951,964 4.938,965 1.434,966 5.802,967 4.026,968 4.419,969 5.081,970 0.918,971 6.632,972 4.356,973 6.17,974 1.267,975 7.371,976 3.649,977 4.007,978 4.956,979 0.325,980 7.554,981 3.9,982 7.494,983 1.004,984 9.039,985 2.818,986 6.028,987 7.406,988 0.671,989 10.666,990 5.909,991 8.857,992 0.903,993 10.766,994 2.565,995 6.431,996 8.118,997 0.393,998 12.404,999 6.276,1000 10.25,1001 0.337,1002 12.53,1003 2.06,1004 7.92,1005 10.032,1006 0.533,1007 15.022,1008 7.754,1009 11.668,1010 0.034,1011 14.319,1012 0.544,1013 8.708,1014 11.155,1015 0.384,1016 17.093,1017 8.515,1018 13.103,1019 -0.313,1020 16.126,1021 0.088,1022 9.977,1023 12.837,1024 0.438,1025 19.532,1026 9.771,1027 3.117,1028 -0.452,1029 17.947,1030 -0.696,1031 10.945,1032 14.16,1033 0.351,1034 21.745,1035 10.718,1036 3.034,1037 10.343,1038 19.777,1039 -1.161,1040 12.122,1041 15.737,1042 0.366,1043 24.113,1044 11.881,1045 2.706,1046 10.185,1047 21.615,1048 4.495,1049 13.173,1050 17.155,1051 0.312,1052 26.387,1053 12.912,1054 2.151,1055 8.801,1056 23.459,1057 4.43,1058 14.314,1059 18.687,1060 0.309,1061 28.728,1062 14.038,1063 2.033,1064 6.265,1065 25.308,1066 3.352,1067 15.402,1068 20.147,1069 0.273,1070 31.03,1071 15.108,1072 1.98,1073 5.888,1074 27.16,1075 2.924,1076 16.529,1077 21.659,1078 0.262,1079 33.36,1080 16.219,1081 1.618,1082 5.793,1083 29.016,1084 2.811,1085 17.635,1086 23.139,1087 0.236,1088 35.674,1089 17.307,1090 7467,1091 11676,1092 19.592,1093 32.12,1094 43.341,1095 43.371,1096 44.77,1097 43.277,1098 43.238,1099 59.874,1100 2.178,1101 126.048,1102 41.883,1103 5.389,1104 5.264,1105 6.232,1106 5.16,1107 5.117,1108 7.495,1109 1.605,1110 17.239,1111 5.048,1112 11.248,1113 1.495,1114 1.496,1115 1.544,1116 1.492,1117 1.491,1118 2.065,1119 0.075,1120 4.346,1121 1.444,1122 4.116,1123 4.145,1124 4.074,1125 4.063,1126 5.308,1127 4.06,1128 4.039,1129 4.068,1130 4.005,1131 3.959,1132 4.982,1133 3.968,1134 3.639,1135 3.712,1136 3.551,1137 3.468,1138 4.897,1139 3.474,1140 3.458,1141 3.507,1142 3.359,1143 3.353,1144 4.697,1145 3.35,1146 3.373,1147 3.453,1148 3.23,1149 3.185,1150 4.35,1151 3.19,1152 3.163,1153 3.238,1154 3.021,1155 3.049,1156 4.244,1157 3.032,1158 3.13,1159 3.23,1160 3.006,1161 2.902,1162 4.02,1163 2.919,1164 2.888,1165 2.968,1166 2.733,1167 2.699,1168 3.857,1169 2.697,1170 0.157,1171 0.113,1172 0.226,1173 0.141,1174 0.107,1175 4.553,1176 0.155,1177 3.264,1178 0.032,1179 6.543,1180 0.357,1181 4.088,1182 0.105,1183 3.117,1184 4.495,1185 0.916,1186 10.343,1187 3.048,1188 2.085,1189 2.066,1190 2.169,1191 2.154,1192 1.339,1193 2.157,1194 2.006,1195 1.979,1196 2.07,1197 2.108,1198 1.199,1199 2.101,1200 1.6,1201 1.536,1202 1.835,1203 1.816,1204 1.006,1205 1.822,1206 1.47,1207 1.419,1208 1.68,1209 1.598,1210 0.782,1211 1.629,1212 1.334,1213 1.262,1214 1.522,1215 1.571,1216 0.6,1217 1.571,1218 1.182,1219 1.123,1220 1.431,1221 1.386,1222 0.404,1223 1.393,1224 1.05,1225 0.974,1226 1.295,1227 1.36,1228 0.265,1229 1.371,1230 0.879,1231 0.798,1232 1.17,1233 1.094,1234 0.186,1235 1.122,1236 4.078,1238 5.407,1240 6.95,1242 8.591,1244 10.281,1246 2.151,1250 11.736,1252 1.698,1257 2.316,1262 30.321,1263 64.979,1264 158.221,1265 201.582,1266 234.801,1267 244.311,1268 248.311,1269 31.165,1270 7.586,1271 81.06,1272 81.06,1273 24,1274 12.56,1275 4.524,1276 3.585,1277 37.98,1278 92,1279 90,1280 0.201,1281 187.334,1282 307.42,1283 448.854,1284 20896,1286 18.096,1287 0.696,1288 0.565,1289 18.096,1290 14.684,1291 12.652,1292 0.436,1293 0.3,1294 8.62,1295 12.344,1296 8.389,1297 6.988,1298 12.652,1299 8.698,1300 11.354,1301 0.277,1302 0.154,1303 11.354,1304 6.321,1305 9.819,1306 0.175,1307 0.084,1308 9.819,1309 4.714,1310 8.588,1311 0.115,1312 0.045,1313 8.588,1314 3.377,1315 7.062,1316 0.073,1317 0.024,1318 7.062,1319 2.348,1320 0.311,1321 77.882,1322 0.226,1323 24.818,1324 0.563,1325 140,1326 333.56,1327 148.798,1328 340.24,1329 485.32,1330 320,1331 167,1332 378.141,1333 175.493,1334 389.106,1335 570.64,1336 368,1337 8.187}
{0 CHEMBL49454,1 1.634,2 10.867,3 3.375,4 11.391,5 115.866,6 7.565,7 0.531,8 4.093,9 4.217,10 3.661,11 3.531,12 5.309,13 3.547,14 4.585,15 4.771,16 3.995,17 3.868,18 5.712,19 3.877,20 4.687,21 4.822,22 4.174,23 4.079,24 5.848,25 4.077,26 4.942,27 5.123,28 4.227,29 4.222,30 6.086,31 4.171,32 5.122,33 5.351,34 4.102,35 4.254,36 6.14,37 4.176,38 5.052,39 5.276,40 3.998,41 4.203,42 6.069,43 4.107,44 5.019,45 5.279,46 3.95,47 4.143,48 6.003,49 4.034,50 4.958,51 5.228,52 3.91,53 4.026,54 6.005,55 3.929,56 0.092,57 0.808,58 11.011,59 4.247,60 16.98,61 5.665,62 0.48,63 1.181,64 21.326,65 6.832,66 39.449,67 9.092,68 0.404,69 1.431,70 20.869,71 7.662,72 26.399,73 10.393,74 0.554,75 1.708,76 28.785,77 10.825,78 45.473,79 14.889,80 0.793,81 1.818,82 38.528,83 11.427,84 74.471,85 16.401,86 0.71,87 1.686,88 35.6,89 11.641,90 64.752,91 16.142,92 0.468,93 1.591,94 35.426,95 11.88,96 64.123,97 17.481,98 0.581,99 1.453,100 34.275,101 10.701,102 72.531,103 16.027,104 67,105 45,106 0.27,107 0.639,108 0.764,109 0.785,110 0.794,111 0.819,112 3.441,113 0.852,114 -3.25,115 -3.24,116 -3.11,119 38.9,120 1,124 3,125 2,137 1,138 1,139 2,140 3,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 4,169 2,170 10,172 3,173 3,175 1,178 4,180 1,181 2,182 7,187 1,191 1,192 5,193 9,195 3,196 3,197 1,198 3,200 2,201 5,204 3,205 1,206 1,212 1,215 6,218 1,220 2,221 7,223 1,224 1,226 2,229 7,231 2,234 7,241 2,245 2,246 12,248 1,249 1,251 3,256 3,259 1,260 4,265 1,270 1,273 1464,274 20.273,275 20.273,276 20.273,277 20.273,278 20.273,279 17.957,280 29.508,281 11.726,282 21.118,283 15.529,284 15.529,285 15.529,286 15.529,287 15.529,288 11.817,289 41.395,290 5.157,291 16.628,292 4.121,293 1.885,294 1.126,295 1.001,296 0.95,297 0.797,298 4.118,301 1,302 1,303 678,304 3.742,307 272.775,311 144.348,314 1.484,315 30.075,318 1,319 0.83,320 1,321 0.8,322 0.5,323 1,324 1,325 0.88,326 66,327 326,328 4.656,329 3.423,330 6.838,331 4.192,332 3.221,333 4.616,334 1.102,335 11.245,336 3.135,337 4.444,338 3.321,339 6.555,340 4.043,341 3.098,342 4.12,343 0.86,344 10.388,345 2.92,346 3.968,347 3.092,348 6.113,349 3.65,350 2.716,351 3.426,352 0.86,353 8.938,354 2.537,355 3.78,356 2.657,357 5.755,358 3.395,359 2.449,360 3.076,361 0.86,362 7.697,363 2.311,364 3.453,365 2.555,366 5.19,367 2.973,368 2.061,369 2.86,370 0.461,371 6.118,372 1.901,373 3.443,374 2.227,375 5.097,376 2.972,377 2.039,378 2.695,380 5.916,381 1.867,382 3.372,383 2.184,384 5.01,385 2.896,386 1.97,387 2.604,389 5.795,390 1.817,391 3.355,392 2.048,393 4.504,394 2.54,395 1.584,396 2.083,398 4.346,399 1.512,400 2.727,401 1.955,402 4.186,403 2.291,404 1.337,405 1.777,407 3.434,408 1.273,409 2.597,410 1.636,411 3.702,412 2.004,413 1.138,414 1.398,415 2.248,416 0.981,417 2.127,418 1.269,419 3.233,420 1.807,421 0.88,422 1.074,423 1.679,424 0.809,425 1.638,426 0.961,427 2.889,428 1.27,429 0.396,430 0.452,431 0.633,432 0.342,433 1.576,434 0.916,435 2.859,436 1.237,437 0.338,438 0.387,439 0.603,440 0.295,441 1.4,442 0.552,443 2.821,444 1.129,445 0.244,446 0.293,448 0.365,449 0.22,450 1.202,451 0.117,452 2.656,453 0.838,454 -0.11,455 -0.136,457 -0.287,458 -0.104,459 13.9,460 0.463,461 0.746,462 0.025,463 41.25,464 1.375,465 21,466 0.7,467 20.25,468 0.675,469 24.87,470 0.829,471 32.9,472 0.609,473 34.7,474 1.157,475 8.618,476 0.287,477 5.808,478 0.194,479 0.237,481 0.388,485 1.016,486 1.468,487 0.802,488 1.201,489 1.114,490 0.986,491 1.311,492 0.769,493 0.763,494 0.645,495 0.78,496 0.616,497 0.915,498 1.395,499 0.911,500 1.167,501 0.849,502 1.049,503 0.658,504 1.207,505 0.971,506 1.298,507 0.59,508 1.22,509 1.324,510 0.943,511 1.205,512 0.957,513 1.245,514 1.039,515 1.231,516 0.902,517 1.224,518 1.052,519 1.106,520 1.132,521 0.759,522 0.977,523 0.871,524 1.024,525 0.718,526 0.979,527 0.758,528 0.88,529 0.784,530 0.9,531 0.835,532 0.858,533 6.5,534 0.235,535 3.778,536 2.875,537 2.693,538 1.222,539 0.791,540 0.663,541 0.41,542 0.344,543 10164,544 30818,545 1.974,546 44.4,547 3,548 15,549 1,550 1,551 4,555 1.733,556 1.8,557 3.38,558 1.664,559 1,560 1,564 88.221,565 1.634,566 3.87,567 4.629,568 4.754,569 4.805,570 4.958,571 2.819,572 4.282,573 4.881,574 3.532,575 1536.33,576 8.541,577 20857.9,579 1,581 1,582 310.764,583 1.549,584 4.808,585 0.203,586 0.01,587 0.084,588 0.054,589 0.051,590 0.027,591 0.019,592 0.017,593 0.011,594 0.011,595 0.486,596 0.17,597 1,598 1.205,599 152.234,600 -0.108,601 -0.235,602 0.043,603 -0.124,604 -0.189,605 -0.021,606 -0.083,607 0.308,608 0.205,609 0.347,610 0.078,611 0.326,612 0.055,613 -0.195,614 -0.044,615 -0.107,616 -0.057,617 -0.09,618 0.209,619 -0.106,620 -0.071,621 -0.255,622 0.182,623 -0.232,624 -0.244,625 0.05,626 -0.218,627 0.011,628 -0.269,629 -0.079,630 -0.194,631 0.078,632 -0.251,633 -0.051,634 -0.2,635 -0.149,636 0.003,637 -0.064,638 0.104,639 -0.001,640 0.123,641 0.063,642 0.103,643 0.01,644 0.223,645 0.089,646 0.167,647 0.167,648 1.578,649 2.071,650 0.533,651 25.92,652 1.01,653 1.136,654 2.022,655 4.089,656 0.653,657 3.497,658 3.829,659 4.143,660 4.431,661 4.644,662 4.727,663 4.804,664 4.875,665 4.942,666 4.934,667 6.392,668 0.63,669 408.51,670 3.497,671 5.043,672 5.911,673 6.808,674 7.694,675 8.596,676 9.488,677 10.391,678 11.285,679 12.189,680 11.1,684 2,686 1,690 3,694 2,695 3,696 3,700 8,702 17,711 2,714 1,716 3,718 54,719 18,720 1,721 32,723 56,724 21,725 13,726 4,727 2,729 3,730 4,734 1,740 2,741 13,742 6,754 1,757 24,758 9,759 4,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,788 1,789 1,802 2,806 4,810 30,811 2,816 2,818 3,821 1,823 1,824 1,827 1,829 5.6,834 3,836 16.667,837 11.05,838 6.944,839 2.733,840 3.322,841 1.445,842 0.958,843 6.704,844 10.785,845 3.773,846 4.394,847 5.024,848 5.641,849 6.206,850 6.519,851 6.844,852 7.181,853 7.562,854 7.694,855 1,856 53,857 10.965,859 4.468,860 7.822,861 20.504,863 15.849,865 2.322,866 69.667,868 1,869 1,870 235.422,871 147.411,872 119.275,874 33,877 147.411,878 268.422,879 119.275,880 41.474,881 4.211,882 84.747,883 62.128,884 74.318,885 56.35,886 211.88,888 235.422,889 266.686,890 33,893 237.137,894 33,897 23.983,898 173.601,899 67.387,901 235.422,902 152.275,903 147.411,906 235.422,907 37.585,908 72.599,909 17.031,910 172.472,911 235.422,912 152.275,913 147.411,915 0.572,916 0.362,917 0.211,918 0.114,919 20,920 11,921 0.125,922 7,923 1,924 1.125,925 3.857,926 270.076,927 0.125,928 16,929 139.207,933 21.753,934 9.246,935 4.329,936 1.129,937 152.275,938 5.437,939 12.619,943 4.606,945 65.794,946 535.108,947 42.5,956 54.545,957 61.355,958 0.284,959 0.673,960 0.804,961 0.826,962 0.835,963 0.862,964 5.026,965 1.584,966 5.916,967 5.795,968 4.511,969 5.081,970 2.095,971 6.779,972 4.388,973 6.264,974 1.337,975 7.513,976 4.346,977 4.205,978 5.047,979 0.325,980 7.789,981 4.048,982 7.599,983 1.138,984 9.208,985 3.434,986 6.155,987 7.37,988 1.902,989 10.905,990 5.938,991 8.969,992 0.88,993 10.959,994 2.248,995 6.648,996 8.143,997 0.621,998 12.705,999 6.4,1000 10.368,1001 0.396,1002 12.746,1003 1.679,1004 8.087,1005 9.973,1006 1.778,1007 15.354,1008 7.795,1009 11.788,1010 0.338,1011 14.556,1012 0.633,1013 8.942,1014 11.129,1015 0.855,1016 17.488,1017 8.619,1018 13.226,1019 0.244,1020 16.384,1021 0.603,1022 10.191,1023 12.767,1024 1.71,1025 19.973,1026 9.832,1027 3.221,1028 -0.11,1029 18.226,1030 0.365,1031 11.209,1032 14.109,1033 1.057,1034 22.253,1035 10.819,1036 3.098,1037 11.245,1038 20.078,1039 -0.287,1040 12.388,1041 15.668,1042 1.692,1043 24.679,1044 11.966,1045 2.716,1046 10.388,1047 21.938,1048 4.616,1049 13.479,1050 17.1,1051 1.244,1052 27.022,1053 13.026,1054 2.449,1055 8.938,1056 23.806,1057 4.12,1058 14.635,1059 18.629,1060 1.718,1061 29.428,1062 14.151,1063 2.061,1064 7.697,1065 25.68,1066 3.426,1067 15.757,1068 20.104,1069 1.424,1070 31.801,1071 15.244,1072 2.039,1073 6.118,1074 27.559,1075 3.076,1076 16.907,1077 21.623,1078 1.782,1079 34.202,1080 16.365,1081 1.97,1082 5.916,1083 29.442,1084 2.86,1085 18.045,1086 23.119,1087 1.601,1088 36.59,1089 17.474,1090 10170,1091 17829,1092 20.403,1093 35.25,1094 47.883,1095 48.843,1096 50.753,1097 46.813,1098 46.942,1099 61.723,1100 8.285,1101 138.809,1102 43.839,1103 5.5,1104 5.423,1105 6.601,1106 5.268,1107 5.221,1108 7.616,1109 2.027,1110 18.523,1111 5.135,1112 19.013,1113 1.496,1114 1.526,1115 1.586,1116 1.463,1117 1.467,1118 1.929,1119 0.259,1120 4.338,1121 1.37,1122 4.079,1123 4.117,1124 4.054,1125 3.965,1126 5.431,1127 3.981,1128 3.937,1129 3.954,1130 3.905,1131 3.827,1132 5.32,1133 3.843,1134 3.607,1135 3.66,1136 3.535,1137 3.444,1138 4.982,1139 3.457,1140 3.456,1141 3.517,1142 3.376,1143 3.307,1144 4.972,1145 3.319,1146 3.303,1147 3.355,1148 3.144,1149 3.014,1150 4.804,1151 3.026,1152 3.243,1153 3.308,1154 3.097,1155 3.006,1156 4.58,1157 3.025,1158 3.194,1159 3.277,1160 3.05,1161 2.943,1162 4.466,1163 2.949,1164 3.164,1165 3.254,1166 2.973,1167 2.893,1168 4.281,1169 2.893,1170 0.146,1171 0.107,1172 0.214,1173 0.131,1174 0.101,1175 4.656,1176 0.144,1177 3.423,1178 0.034,1179 6.838,1180 0.351,1181 4.192,1182 0.098,1183 3.221,1184 4.616,1185 1.102,1186 11.245,1187 3.135,1188 2,1189 1.969,1190 2.064,1191 2.135,1192 1.248,1193 2.114,1194 1.875,1195 1.86,1196 1.947,1197 2.011,1198 1.088,1199 1.99,1200 1.551,1201 1.503,1202 1.713,1203 1.757,1204 0.83,1205 1.744,1206 1.414,1207 1.36,1208 1.594,1209 1.617,1210 0.585,1211 1.618,1212 1.227,1213 1.163,1214 1.59,1215 1.558,1216 0.584,1217 1.565,1218 1.199,1219 1.131,1220 1.57,1221 1.51,1222 0.571,1223 1.53,1224 1.165,1225 1.077,1226 1.525,1227 1.429,1228 0.554,1229 1.463,1230 1.135,1231 1.046,1232 1.477,1233 1.408,1234 0.551,1235 1.427,1236 4.174,1238 5.501,1240 7.043,1242 8.691,1244 10.394,1246 6.637,1250 11.752,1252 0.825,1254 16.336,1257 1.995,1259 5.639,1261 2.692,1262 34.014,1263 88.221,1264 208.989,1265 249.97,1266 256.725,1267 259.48,1268 267.744,1269 54.572,1270 7.462,1271 121.64,1272 121.64,1273 18,1274 12.71,1275 4.248,1276 3.524,1277 55.044,1278 114,1279 116,1280 0.236,1281 213.51,1282 368.05,1283 512.724,1284 16268,1286 21.836,1287 0.728,1288 0.58,1289 21.836,1290 17.392,1291 14.426,1292 0.451,1293 0.284,1294 8.867,1295 13.608,1296 8.503,1297 7.164,1298 14.426,1299 9.086,1300 12.513,1301 0.278,1302 0.145,1303 12.513,1304 6.518,1305 10.813,1306 0.174,1307 0.077,1308 10.813,1309 4.793,1310 9.527,1311 0.115,1312 0.04,1313 9.527,1314 3.296,1315 7.367,1316 0.072,1317 0.021,1318 7.367,1319 2.167,1320 0.363,1321 92.324,1322 0.221,1323 27.839,1324 0.666,1325 154,1326 502.412,1327 173.21,1328 479.803,1329 656.34,1330 450,1331 184,1332 483.242,1333 204.181,1334 494.865,1335 719.51,1336 457,1337 7.928}
{0 CHEMBL50514,1 1.642,2 10.893,3 2.183,4 4.765,5 108.286,6 7.394,7 0.567,8 4.059,9 4.187,10 3.608,11 3.471,12 5.238,13 3.487,14 4.564,15 4.758,16 3.952,17 3.82,18 5.668,19 3.83,20 4.648,21 4.785,22 4.123,23 4.027,24 5.793,25 4.024,26 4.905,27 5.09,28 4.151,29 4.148,30 6.031,31 4.092,32 5.079,33 5.319,34 3.976,35 4.142,36 6.052,37 4.056,38 4.979,39 5.216,40 3.778,41 4.054,42 5.916,43 3.938,44 4.924,45 5.206,46 3.677,47 3.966,48 5.764,49 3.824,50 4.839,51 5.139,52 3.667,53 3.815,54 5.737,55 3.697,56 0.094,57 0.777,58 11.159,59 4.028,60 13.129,61 5.659,62 0.499,63 1.128,64 21.539,65 6.527,66 36.32,67 9.057,68 0.405,69 1.371,70 20.903,71 7.353,72 20.267,73 10.394,74 0.547,75 1.593,76 28.646,77 10.259,78 43.456,79 14.588,80 0.807,81 1.628,82 37.946,83 10.228,84 65.714,85 15.645,86 0.754,87 1.457,88 34.255,89 10.186,90 56.433,91 14.829,92 0.486,93 1.335,94 33.168,95 10.212,96 45.527,97 15.857,98 0.571,99 1.167,100 31.487,101 8.855,102 53.537,103 14.133,104 59,105 43,106 0.275,107 0.61,108 0.751,109 0.772,110 0.781,111 0.808,112 3.375,113 0.857,114 -2.88,115 -2.88,116 -2.79,119 36.5,120 1,124 4,125 1,139 2,140 3,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 9,172 3,173 3,175 1,178 4,180 1,181 2,182 6,187 1,191 1,192 5,193 9,195 3,196 3,197 1,198 3,200 2,201 2,204 3,205 1,206 1,212 1,215 2,218 1,220 2,221 4,223 1,224 1,226 2,229 4,231 2,234 3,245 2,246 9,248 1,249 1,251 2,256 2,259 1,260 2,273 1122,274 18.696,275 18.696,276 18.696,277 18.696,278 18.696,279 16.587,280 27.56,281 10.593,282 19.541,283 14.554,284 14.554,285 14.554,286 14.554,287 14.554,288 11.162,289 39.932,290 4.698,291 15.633,292 4.058,293 2.063,294 1.222,295 1.092,296 1.039,297 0.88,298 4.05,300 1,301 1,302 1,303 638,304 3.464,307 248.456,311 131.409,314 1.551,315 26.249,318 1,319 0.83,320 1,321 1,322 1,323 1,324 1,325 0.98,326 62,327 305,328 4.656,329 3.405,330 6.837,331 4.191,332 3.219,333 4.616,334 0.916,335 11.242,336 3.134,337 4.44,338 3.318,339 6.547,340 4.035,341 3.091,342 4.119,343 0.86,344 10.347,345 2.913,346 3.95,347 2.984,348 6.018,349 3.615,350 2.677,351 3.424,352 0.86,353 8.553,354 2.512,355 3.736,356 2.623,357 5.74,358 3.373,359 2.43,360 3.044,361 0.86,362 7.631,363 2.284,364 3.452,365 2.555,366 5.19,367 2.973,368 2.061,369 2.86,370 0.172,371 6.118,372 1.9,373 3.372,374 2.184,375 5.097,376 2.972,377 2.038,378 2.695,380 5.916,381 1.867,382 3.355,383 2.051,384 5.01,385 2.896,386 1.97,387 2.604,389 5.795,390 1.817,391 2.722,392 1.992,393 4.379,394 2.379,395 1.439,396 1.791,398 3.92,399 1.35,400 2.557,401 1.65,402 4.115,403 2.204,404 1.281,405 1.567,407 3.281,408 1.177,409 2.115,410 1.368,411 3.64,412 1.876,413 1.026,414 1.094,415 2.126,416 0.865,417 1.586,418 0.968,419 3.038,420 1.27,421 0.396,422 0.452,423 0.739,424 0.342,425 1.576,426 0.916,427 2.859,428 1.253,429 0.344,430 0.393,431 0.603,432 0.305,433 1.392,434 0.586,435 2.822,436 1.133,437 0.263,438 0.299,439 0.374,440 0.231,441 1.196,442 0.117,443 2.662,444 0.838,445 -0.111,446 -0.137,448 -0.288,449 -0.105,450 0.97,451 0.098,452 2.495,453 0.531,454 -0.388,455 -0.491,457 -0.804,458 -0.353,459 12.9,460 0.461,461 0.784,462 0.028,463 38.25,464 1.366,465 19,466 0.679,467 19.25,468 0.688,469 23.031,470 0.823,471 31.5,472 0.606,473 30.888,474 1.103,475 7.95,476 0.284,477 5.437,478 0.194,479 0.256,481 0.419,485 1.014,486 1.554,487 0.818,488 1.27,489 1.158,490 1.031,491 1.296,492 0.709,493 0.737,494 0.589,495 0.796,496 0.566,497 0.903,498 1.43,499 0.915,500 1.206,501 0.829,502 1.075,503 0.642,504 1.291,505 0.987,506 1.39,507 0.605,508 1.287,509 1.33,510 0.983,511 1.217,512 0.99,513 1.268,514 1.065,515 1.309,516 0.909,517 1.319,518 1.078,519 1.188,520 1.195,521 0.729,522 0.978,523 0.906,524 1.03,525 0.733,526 1.01,527 0.662,528 0.765,529 0.705,530 0.794,531 0.724,532 0.759,533 6.5,534 0.206,535 3.778,536 2.875,537 2.693,538 1.139,539 0.588,540 0.467,541 0.328,542 0.298,543 8806,544 25876,545 1.972,546 46.2,547 3,548 16,550 1,551 4,555 1.712,556 1.787,557 3.386,558 1.733,559 1,560 1,564 85.408,565 1.642,566 3.638,567 4.478,568 4.608,569 4.661,570 4.82,571 2.839,572 4.182,573 4.782,574 3.538,575 1337.23,576 8.32,577 17363.7,579 1,581 1,582 296.423,583 1.56,584 4.702,585 0.217,586 0.009,587 0.088,588 0.058,589 0.056,590 0.029,591 0.019,592 0.016,593 0.011,594 0.011,595 0.514,596 0.17,597 1,598 1.017,599 139.64,600 -0.109,601 -0.27,602 0.048,603 -0.142,604 -0.207,605 -0.026,606 -0.084,607 0.377,608 0.243,609 0.419,610 0.137,611 0.393,612 0.055,613 -0.181,614 -0.034,615 -0.092,616 -0.015,617 -0.075,618 0.216,619 -0.164,620 -0.08,621 -0.315,622 0.22,623 -0.276,624 -0.242,625 -0.005,626 -0.223,627 -0.033,628 -0.257,629 -0.109,630 -0.237,631 0.06,632 -0.335,633 -0.091,634 -0.281,635 -0.219,636 -0.001,637 -0.092,638 0.065,639 -0.023,640 0.024,641 0.027,642 0.146,643 0.078,644 0.304,645 0.16,646 0.186,647 0.254,648 1.556,649 2.045,650 0.571,651 23.653,652 1.01,653 1.141,654 1.647,655 2.713,656 0.639,657 3.434,658 3.784,659 4.094,660 4.369,661 4.575,662 4.625,663 4.663,664 4.7,665 4.787,666 4.804,667 6.358,668 0.616,669 384.49,670 3.434,671 4.99,672 5.861,673 6.76,674 7.646,675 8.548,676 9.438,677 10.34,678 11.232,679 12.134,680 11.5,684 2,686 1,690 3,694 2,695 3,696 3,700 8,702 17,711 2,714 1,716 3,718 52,719 17,720 1,721 30,723 54,724 19,725 13,726 4,727 2,729 3,730 4,734 1,741 13,742 6,754 1,757 24,758 9,759 4,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 5,810 28,811 2,816 1,818 3,821 1,829 5.8,834 3,836 15.667,837 10.967,838 6.361,839 2.625,840 3.358,841 1.455,842 0.958,843 5.958,844 10.736,845 3.676,846 4.344,847 4.99,848 5.605,849 6.166,850 6.458,851 6.751,852 7.055,853 7.43,854 7.573,855 1,856 50,857 10.244,859 4.178,860 7.774,861 19.262,863 14.939,865 2.274,866 63.667,870 235.422,871 113.35,872 119.275,874 33,877 113.35,878 268.422,879 119.275,880 49.871,881 2.106,882 84.747,883 62.128,884 74.318,885 4.227,886 223.651,888 235.422,889 232.625,890 33,893 237.137,894 33,897 21.877,898 158.676,899 50.357,901 235.422,902 152.275,903 113.35,906 235.422,907 35.479,908 80.995,910 149.151,911 235.422,912 152.275,913 113.35,915 0.583,916 0.369,917 0.208,918 0.11,919 20,920 11,921 0.111,922 6,923 1,924 1.125,925 3.735,926 244.409,927 0.125,928 16,929 126.606,933 20.234,934 8.245,935 3.89,936 1.201,937 152.275,938 5.56,939 12.603,943 5.008,945 65.794,946 501.047,947 38.5,956 52.545,957 59.355,958 0.288,959 0.638,960 0.786,961 0.808,962 0.818,963 0.846,964 4.929,965 1.439,966 5.878,967 5.795,968 4.466,969 5.03,970 1.938,971 6.744,972 4.339,973 6.172,974 1.281,975 7.48,976 3.92,977 4.205,978 5.047,979 0.325,980 7.758,981 4.048,982 7.514,983 1.026,984 9.18,985 3.281,986 6.12,987 7.344,988 1.656,989 10.869,990 5.903,991 8.893,992 0.396,993 10.933,994 2.126,995 6.635,996 8.14,997 0.393,998 12.664,999 6.389,1000 10.301,1001 0.344,1002 12.72,1003 0.739,1004 8.058,1005 9.962,1006 1.418,1007 15.314,1008 7.769,1009 11.73,1010 0.263,1011 14.53,1012 0.603,1013 8.921,1014 11.126,1015 0.384,1016 17.446,1017 8.603,1018 13.175,1019 -0.111,1020 16.357,1021 0.374,1022 10.164,1023 12.762,1024 1.207,1025 19.934,1026 9.81,1027 3.219,1028 -0.388,1029 18.198,1030 -0.288,1031 11.185,1032 14.106,1033 0.351,1034 22.213,1035 10.801,1036 3.091,1037 11.242,1038 20.049,1039 -0.804,1040 12.362,1041 15.666,1042 1.019,1043 24.641,1044 11.946,1045 2.677,1046 10.347,1047 21.909,1048 4.616,1049 13.453,1050 17.098,1051 0.312,1052 26.986,1053 13.008,1054 2.43,1055 8.553,1056 23.777,1057 4.119,1058 14.608,1059 18.628,1060 0.852,1061 29.394,1062 14.133,1063 2.061,1064 7.631,1065 25.651,1066 3.424,1067 15.731,1068 20.103,1069 0.273,1070 31.769,1071 15.226,1072 2.038,1073 6.118,1074 27.53,1075 3.044,1076 16.881,1077 21.622,1078 0.706,1079 34.171,1080 16.347,1081 1.97,1082 5.916,1083 29.413,1084 2.86,1085 18.019,1086 23.118,1087 0.236,1088 36.561,1089 17.456,1090 8767,1091 15154,1092 19.016,1093 33.25,1094 44.449,1095 45.818,1096 48.155,1097 44.332,1098 44.475,1099 57.915,1100 7.338,1101 133.29,1102 41.398,1103 5.494,1104 5.405,1105 6.379,1106 5.266,1107 5.219,1108 7.616,1109 1.776,1110 18.52,1111 5.134,1112 18.035,1113 1.482,1114 1.527,1115 1.605,1116 1.478,1117 1.483,1118 1.93,1119 0.245,1120 4.443,1121 1.38,1122 4.077,1123 4.116,1124 4.052,1125 3.963,1126 5.321,1127 3.98,1128 3.934,1129 3.951,1130 3.901,1131 3.824,1132 4.983,1133 3.839,1134 3.578,1135 3.641,1136 3.505,1137 3.38,1138 4.975,1139 3.404,1140 3.369,1141 3.447,1142 3.254,1143 3.124,1144 4.805,1145 3.144,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.218,1153 3.294,1154 3.05,1155 2.943,1156 4.469,1157 2.949,1158 3.166,1159 3.263,1160 2.994,1161 2.905,1162 4.329,1163 2.909,1164 3.112,1165 3.207,1166 2.886,1167 2.861,1168 4.155,1169 2.851,1170 0.155,1171 0.114,1172 0.228,1173 0.14,1174 0.107,1175 4.656,1176 0.154,1177 3.405,1178 0.031,1179 6.837,1180 0.375,1181 4.191,1182 0.104,1183 3.219,1184 4.616,1185 0.916,1186 11.242,1187 3.134,1188 1.999,1189 1.969,1190 2.064,1191 2.135,1192 1.243,1193 2.114,1194 1.872,1195 1.858,1196 1.947,1197 2.01,1198 1.082,1199 1.99,1200 1.504,1201 1.445,1202 1.691,1203 1.744,1204 0.802,1205 1.731,1206 1.309,1207 1.231,1208 1.59,1209 1.587,1210 0.584,1211 1.593,1212 1.227,1213 1.163,1214 1.585,1215 1.558,1216 0.573,1217 1.565,1218 1.174,1219 1.089,1220 1.569,1221 1.507,1222 0.567,1223 1.528,1224 1.135,1225 1.047,1226 1.508,1227 1.408,1228 0.553,1229 1.437,1230 1.098,1231 1,1232 1.447,1233 1.379,1234 0.529,1235 1.404,1236 4.111,1238 5.451,1240 7.002,1242 8.655,1244 10.36,1246 8.693,1250 11.708,1252 0.581,1254 16.263,1257 2.05,1262 32.014,1263 85.408,1264 189.162,1265 232.874,1266 239.629,1267 242.384,1268 250.648,1269 46.38,1270 7.378,1271 121.64,1272 121.64,1273 18,1274 12.656,1275 4.17,1276 3.248,1277 49.69,1278 109,1279 100,1280 0.229,1281 200.18,1282 338.73,1283 480.199,1284 15078,1286 20.422,1287 0.729,1288 0.593,1289 20.422,1290 16.607,1291 13.388,1292 0.446,1293 0.286,1294 8.351,1295 12.562,1296 7.963,1297 6.733,1298 13.388,1299 8.575,1300 11.941,1301 0.278,1302 0.147,1303 11.941,1304 6.314,1305 10.361,1306 0.176,1307 0.079,1308 10.361,1309 4.632,1310 8.971,1311 0.115,1312 0.04,1313 8.971,1314 3.127,1315 6.925,1316 0.072,1317 0.021,1318 6.925,1319 2.057,1320 0.357,1321 86.18,1322 0.229,1323 26.432,1324 0.636,1325 146,1326 474.412,1327 164.877,1328 449.089,1329 617.22,1330 422,1331 175,1332 457.89,1333 194.848,1334 468.556,1335 682.09,1336 432,1337 8.131}
{0 CHEMBL514219,1 1.805,2 7.957,3 4.941,4 24.417,5 99.212,6 9.693,7 0.64,8 3.758,9 3.878,10 3.581,11 3.393,12 4.928,13 3.341,14 4.233,15 4.386,16 4.035,17 3.802,18 5.4,19 3.714,20 4.441,21 4.616,22 4.311,23 3.97,24 5.534,25 3.832,26 4.425,27 4.587,28 4.204,29 3.905,30 5.619,31 3.78,32 4.47,33 4.66,34 4.008,35 3.847,36 5.581,37 3.731,38 4.507,39 4.719,40 3.938,41 3.865,42 5.523,43 3.724,44 4.426,45 4.636,46 3.828,47 3.74,48 5.537,49 3.611,50 4.356,51 4.583,52 3.827,53 3.597,54 5.567,55 3.454,56 0.091,57 0.601,58 5.28,59 3.024,60 11.496,61 3.492,62 0.206,63 0.933,64 11.934,65 5.86,66 20.879,67 7.214,68 0.28,69 1.061,70 28.368,71 8.41,72 24.641,73 8.977,74 0.357,75 1.087,76 26.331,77 8.081,78 33.11,79 8.889,80 0.427,81 1.13,82 22.426,83 6.866,84 38.011,85 7.281,86 0.326,87 1.059,88 27.937,89 8.752,90 30.474,91 10.056,92 0.389,93 0.918,94 24.683,95 7.216,96 41.228,97 8.579,98 0.402,99 0.761,100 24.783,101 6.985,102 46.104,103 8.859,104 28,105 36,106 0.323,107 0.71,108 0.81,109 0.842,110 0.842,111 0.842,112 3.19,113 1.036,114 -5.5,115 -5.38,116 -5.02,119 39.5,120 1,121 2,139 3,140 2,141 3,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 6,169 1,170 2,172 3,173 4,175 4,178 7,180 1,182 2,187 2,189 10,191 1,193 3,195 1,196 2,197 3,198 3,200 4,201 6,204 2,205 1,207 3,212 8,215 5,218 3,221 2,226 4,229 9,231 3,234 4,239 1,241 6,243 1,246 5,251 5,254 5,256 5,260 1,265 5,268 1,270 5,273 696,274 15.301,275 15.301,276 15.301,277 15.301,278 15.301,279 13.217,280 13.564,281 8.931,282 15.923,283 12.293,284 12.293,285 12.293,286 12.293,287 12.293,288 9.168,289 12.867,290 4.137,291 13.498,292 3.443,293 1.283,294 0.724,295 0.546,296 0.546,297 0.546,298 3.864,299 2,301 1,302 1,303 385,304 2.739,306 44.781,307 127.778,310 87.453,314 1.1,315 22.446,318 0.75,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.84,326 49.167,327 183,328 4.714,329 4.623,330 6.927,331 4.24,332 3.286,333 4.684,334 2.95,335 11.681,336 3.144,337 4.329,338 3.534,339 6.407,340 3.844,341 2.96,342 3.991,344 9.725,345 2.544,346 3.845,347 3.063,348 5.755,349 3.395,350 2.478,351 3.329,353 7.695,354 2.269,355 3.444,356 2.623,357 5.161,358 2.965,359 2.05,360 2.822,362 6.116,363 1.868,364 3.253,365 2.507,366 4.965,367 2.79,368 1.879,369 2.529,371 5.583,372 1.727,373 3.232,374 2.248,375 4.841,376 2.707,377 1.863,378 2.481,380 5.104,381 1.458,382 2.902,383 1.988,384 4.435,385 2.518,386 1.587,387 2.058,389 4.133,390 1.441,391 2.657,392 1.93,393 3.956,394 2.296,395 1.333,396 1.695,398 3.224,399 1.27,400 2.076,401 1.279,402 3.325,403 1.865,404 0.901,405 1.025,407 1.708,408 0.864,409 1.628,410 0.959,411 3.047,412 1.18,413 0.424,414 0.492,415 1.045,416 0.284,417 1.14,418 0.479,419 2.719,420 0.808,421 -0.135,422 -0.155,423 -0.275,424 -0.125,425 1.02,426 0.173,427 2.497,428 0.596,429 -0.283,430 -0.37,431 -0.757,432 -0.229,433 1,434 0.024,435 2.353,436 0.473,437 -0.347,438 -0.445,439 -0.762,440 -0.233,441 0.675,442 -0.167,443 2.352,444 0.326,445 -0.57,446 -0.666,448 -1.331,449 -0.487,450 0.393,451 -0.306,452 2.083,453 0.102,454 -0.783,455 -0.886,457 -1.766,458 -0.641,459 11.762,460 0.511,461 0.665,462 0.029,463 30.5,464 1.326,465 15.5,466 0.674,467 15,468 0.652,469 20.521,470 0.892,471 24.238,472 0.638,473 19.818,474 0.862,475 5.575,476 0.242,477 5.433,478 0.236,479 0.232,481 0.383,485 0.915,486 1.073,487 0.589,488 0.662,489 1.055,490 0.7,491 0.451,492 0.901,493 0.585,494 0.779,495 0.398,496 0.771,497 0.986,498 1.084,499 0.828,500 0.852,501 0.88,502 0.785,503 0.743,504 1.162,505 1.026,506 1.218,507 0.647,508 1.048,509 1.249,510 1.1,511 1.088,512 1.115,513 1.285,514 1.078,515 1.039,516 1.078,517 1.064,518 1.104,519 0.918,520 1.024,521 1.183,522 0.997,523 1.116,524 1.031,525 1.26,526 1.105,527 0.963,528 1.039,529 1.033,530 0.998,531 0.95,532 1.085,533 5,534 0.012,535 2.889,536 2.604,537 1.668,538 0.886,539 0.67,540 0.431,541 0.244,542 0.061,543 4828,544 16611,545 2.016,546 39.5,547 7,548 3,551 5,555 1.665,556 1.84,557 2.971,558 2.761,564 68.605,565 1.805,566 3.964,567 4.524,568 4.702,569 4.702,570 4.702,571 2.334,572 3.969,573 4.497,574 3.11,575 786.839,576 7.783,577 8794.31,579 1,582 199.421,583 1.538,584 4.428,585 0.2,586 0.012,587 0.08,588 0.069,589 0.046,590 0.029,591 0.022,592 0.017,593 0.011,594 0.008,595 0.494,597 0.88,598 1.069,599 105.082,600 -0.195,601 0.093,602 -0.005,603 0.149,604 -0.259,605 0.108,606 0.275,607 0.177,608 0.146,609 0.139,610 0.273,611 0.135,612 -0.065,613 -0.029,614 0.216,615 0.248,616 -0.047,617 0.185,618 0.205,619 -0.084,620 0.011,621 -0.134,622 0.248,623 -0.104,624 -0.248,625 0.031,626 -0.196,627 -0.135,628 -0.306,629 -0.198,630 -0.14,631 -0.103,632 -0.094,633 -0.08,634 -0.078,635 -0.027,636 -0.132,637 -0.057,638 -0.15,639 -0.138,640 -0.187,641 -0.151,642 0.177,643 -0.209,644 0.045,645 -0.115,646 0.247,647 -0.075,648 1.522,649 2.161,650 0.652,651 16.533,652 1.014,653 1.126,654 4.273,655 18.261,656 0.736,657 3.258,658 3.611,659 3.912,660 4.234,661 4.431,662 4.543,663 4.625,664 4.754,665 4.7,666 4.625,667 5.019,668 0.687,669 368.32,670 3.258,671 4.812,672 5.68,673 6.586,674 7.477,675 8.391,676 9.291,677 10.208,678 11.113,679 12.031,680 13.2,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,717 2,718 38,719 16,720 1,721 25,723 40,724 15,725 12,726 3,727 3,729 3,730 4,731 2,734 1,739 2,741 12,742 3,757 15,758 4,759 5,760 8,761 3,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 1,807 2,810 23,811 2,816 2,819 1,828 2,836 12.5,837 7.019,838 5.083,839 2.285,840 3.199,841 1.455,842 1.019,843 4.916,844 10.222,845 3.526,846 4.216,847 4.861,848 5.518,849 6.04,850 6.387,851 6.757,852 7.197,853 7.385,854 7.618,855 1,856 38,857 8.429,859 3.572,860 7.785,861 15.945,863 13.023,865 2.285,866 52.556,870 117.711,871 95.917,872 116.151,873 78.297,876 32.22,877 63.698,878 196.008,879 116.151,880 8.825,881 5.069,882 94.223,883 35.286,884 32.218,885 4.227,886 149.931,887 78.297,888 117.711,889 179.849,891 110.517,893 117.711,897 35.416,898 110.862,899 111.868,900 32.22,901 117.711,902 116.151,903 174.215,906 117.711,907 58.663,908 37.254,909 16.786,910 177.663,911 117.711,912 116.151,913 174.215,915 0.584,916 0.35,917 0.204,918 0.112,919 18,920 9,921 0.1,922 4,923 1,924 1.133,925 3.347,926 189.903,927 0.133,928 15,929 98.042,930 1,933 16.706,934 6.769,935 3.238,936 1.441,937 99.365,938 5.436,939 8.302,940 3.268,943 4.476,945 82.58,946 408.077,947 33,956 38.534,957 42.791,958 0.344,959 0.755,960 0.862,961 0.896,962 0.896,963 0.896,964 4.771,965 1.333,966 5.694,967 4.133,968 4.29,969 4.902,970 2.913,971 6.561,972 4.104,973 6.021,974 0.901,975 7.29,976 3.224,977 4.007,978 4.913,980 7.567,981 3.686,982 7.364,983 0.424,984 8.986,985 1.708,986 5.932,987 7.233,988 5.027,989 10.712,990 5.599,991 8.746,992 -0.135,993 10.741,994 1.045,995 6.447,996 8.055,998 12.558,999 6.006,1000 10.16,1001 -0.283,1002 12.533,1003 -0.275,1004 7.888,1005 9.889,1006 7.185,1007 15.234,1008 7.432,1009 11.598,1010 -0.347,1011 14.352,1012 -0.757,1013 8.77,1014 11.091,1016 17.433,1017 8.238,1018 13.055,1019 -0.57,1020 16.191,1021 -0.762,1022 10.031,1023 12.737,1024 9.348,1025 19.95,1026 9.475,1027 3.286,1028 -0.783,1029 18.045,1030 -1.331,1031 11.077,1032 14.117,1034 22.294,1035 10.466,1036 2.96,1037 11.681,1038 19.912,1039 -1.766,1040 12.273,1041 15.689,1042 11.511,1043 24.759,1044 11.633,1045 2.478,1046 9.725,1047 21.789,1048 4.684,1049 13.389,1050 17.152,1052 27.163,1053 12.707,1054 2.05,1055 7.695,1056 23.674,1057 3.991,1058 14.565,1059 18.696,1060 13.675,1061 29.613,1062 13.851,1063 1.879,1064 6.116,1065 25.566,1066 3.329,1067 15.712,1068 20.197,1070 32.043,1071 14.961,1072 1.863,1073 5.583,1074 27.463,1075 2.822,1076 16.883,1077 21.733,1078 15.838,1079 34.49,1080 16.1,1081 1.587,1082 5.104,1083 29.365,1084 2.529,1085 18.045,1086 23.253,1088 36.932,1089 17.227,1090 4830,1091 9109,1092 16.126,1093 27.96,1094 37.764,1095 41.227,1096 40.034,1097 37.679,1098 37.521,1099 50.213,1100 5.9,1101 112.03,1102 33.736,1103 5.514,1104 6.623,1105 6.685,1106 5.403,1107 5.286,1108 7.684,1109 5.9,1110 18.853,1111 5.144,1112 13.144,1113 1.511,1114 1.649,1115 1.601,1116 1.507,1117 1.501,1118 2.009,1119 0.236,1120 4.481,1121 1.349,1122 4.117,1123 4.157,1124 4.246,1125 4.022,1126 5.318,1127 4.02,1128 3.875,1129 3.887,1130 4.037,1131 3.842,1132 5.005,1133 3.827,1134 3.576,1135 3.654,1136 3.582,1137 3.412,1138 4.98,1139 3.403,1140 3.366,1141 3.451,1142 3.547,1143 3.184,1144 4.731,1145 3.167,1146 3.096,1147 3.217,1148 3.354,1149 2.865,1150 4.632,1151 2.837,1152 2.901,1153 2.972,1154 3.074,1155 2.849,1156 4.145,1157 2.815,1158 2.879,1159 2.918,1160 3.027,1161 2.751,1162 4.115,1163 2.768,1164 2.85,1165 2.903,1166 2.958,1167 2.586,1168 4.026,1169 2.572,1170 0.189,1171 0.185,1172 0.277,1173 0.17,1174 0.131,1175 4.714,1176 0.187,1177 4.623,1178 0.118,1179 6.927,1180 0.467,1181 4.24,1182 0.126,1183 3.286,1184 4.684,1185 2.95,1186 11.681,1187 3.144,1188 1.874,1189 1.865,1190 1.969,1191 2.015,1192 1.247,1193 1.985,1194 1.839,1195 1.805,1196 1.901,1197 1.911,1198 1.059,1199 1.935,1200 1.643,1201 1.58,1202 1.806,1203 1.832,1204 0.878,1205 1.852,1206 1.357,1207 1.298,1208 1.516,1209 1.57,1210 0.652,1211 1.573,1212 1.03,1213 0.937,1214 1.279,1215 1.382,1216 0.345,1217 1.366,1218 0.899,1219 0.827,1220 1.254,1221 1.27,1222 0.105,1223 1.285,1224 0.849,1225 0.81,1226 1.013,1227 0.978,1228 0.092,1229 1.03,1230 0.837,1231 0.768,1232 1,1233 0.962,1235 1.004,1236 3.932,1238 5.273,1239 2.398,1240 6.812,1241 4.844,1242 8.452,1243 7.05,1244 10.143,1246 2.101,1247 12.544,1250 11.73,1252 1.794,1255 1.464,1262 26.11,1263 68.605,1264 150.65,1265 171.911,1266 178.666,1267 178.666,1268 178.666,1269 36.429,1270 7.023,1271 93.61,1272 118.91,1273 17,1274 12.543,1275 4.087,1276 3.17,1277 36.512,1278 68,1279 61,1280 0.268,1281 173.752,1282 283.73,1283 415.714,1284 9167,1285 5.3,1286 16.56,1287 0.72,1288 0.639,1289 17.914,1290 14.688,1291 11.007,1292 0.44,1293 0.345,1294 7.128,1295 9.764,1296 6.811,1297 5.663,1298 11.993,1299 8.635,1300 10.125,1301 0.281,1302 0.191,1303 11.482,1304 6.861,1305 8.364,1306 0.171,1307 0.111,1308 10.123,1309 5.436,1310 7.527,1311 0.111,1312 0.06,1313 9.217,1314 4.077,1315 5.68,1316 0.068,1317 0.034,1318 7.175,1319 2.854,1320 0.402,1321 78.279,1322 0.249,1323 21.939,1324 0.796,1325 122,1326 349.515,1327 187.711,1328 429.427,1329 574.93,1330 398,1331 146,1332 374.046,1333 208.988,1334 415.85,1335 617.06,1336 392,1337 5.225}
{0 CHEMBL515312,1 1.527,2 8.76,3 4.521,4 20.439,5 106.053,6 7.943,7 0.75,8 3.893,9 4.023,10 3.565,11 3.521,12 5.017,13 3.47,14 4.375,15 4.537,16 3.978,17 3.929,18 5.463,19 3.845,20 4.593,21 4.789,22 4.082,23 4.076,24 5.568,25 3.956,26 4.609,27 4.794,28 4.087,29 4.072,30 5.657,31 3.936,32 4.66,33 4.87,34 3.955,35 4.025,36 5.651,37 3.884,38 4.652,39 4.889,40 3.75,41 3.949,42 5.557,43 3.811,44 4.579,45 4.812,46 3.656,47 3.885,48 5.547,49 3.775,50 4.582,51 4.834,52 3.546,53 3.816,54 5.539,55 3.687,56 0.056,57 0.696,58 8.988,59 3.784,60 10.542,61 4.814,62 0.184,63 1.111,64 16.56,65 7.028,66 20.753,67 9.118,68 0.136,69 1.341,70 24.613,71 9.347,72 17.363,73 11.473,74 0.235,75 1.402,76 26.485,77 9.893,78 25.941,79 11.917,80 0.281,81 1.455,82 29.347,83 9.057,84 31.827,85 10.923,86 0.212,87 1.347,88 29.058,89 9.739,90 25.469,91 12.422,92 0.196,93 1.243,94 22.181,95 7.874,96 27.853,97 10.68,98 0.138,99 1.194,100 21.137,101 8.167,102 27.135,103 11.604,104 12,105 40,106 0.261,107 0.626,108 0.755,109 0.832,110 0.869,111 0.884,112 3.268,113 0.973,114 -5.82,115 -5.68,116 -5.29,119 43.2,120 1,121 2,139 7,140 4,141 1,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 13,169 1,170 2,172 3,173 4,175 4,178 17,180 1,182 2,187 2,189 16,191 1,193 3,195 1,196 2,197 3,198 5,200 4,201 12,204 2,205 1,207 3,212 7,215 11,218 3,221 4,226 6,229 11,231 3,234 5,239 4,241 12,243 3,246 6,251 6,254 8,256 6,260 4,265 6,268 4,270 6,273 864,274 17.162,275 17.162,276 17.162,277 17.162,278 17.162,279 14.648,280 12.186,281 10.171,282 17.563,283 13.829,284 13.829,285 13.829,286 13.829,287 13.829,288 10.026,289 12.36,290 4.748,291 14.54,292 3.933,293 1.803,294 1.044,295 0.597,296 0.381,297 0.29,298 3.967,301 1,302 1,303 479,304 2.739,306 46.084,307 172.027,310 90.305,311 94.636,314 1.168,315 16.238,317 1,318 0.75,319 0.83,320 1,321 0.6,322 0.5,323 1,324 1,325 0.81,326 52.5,327 219,328 4.715,329 4.593,330 6.926,331 4.24,332 3.285,333 4.685,334 2.95,335 11.678,336 3.145,337 4.491,338 3.441,339 6.511,340 4.002,341 3.026,342 4.428,344 10.224,345 2.958,346 3.871,347 3,348 5.789,349 3.422,350 2.509,351 3.353,353 7.845,354 2.287,355 3.519,356 2.596,357 5.231,358 3.062,359 2.136,360 2.912,362 6.364,363 1.965,364 3.417,365 2.339,366 5.121,367 2.922,368 1.991,369 2.802,371 5.959,372 1.846,373 3.217,374 2.003,375 4.95,376 2.775,377 1.831,378 2.487,380 5.498,381 1.721,382 3.118,383 1.943,384 4.404,385 2.618,386 1.618,387 2.427,389 4.006,390 1.618,391 2.772,392 1.618,393 4.124,394 2.407,395 1.472,396 1.904,398 3.684,399 1.359,400 2.687,401 1.336,402 3.593,403 2.265,404 1.267,405 1.729,407 2.821,408 1.263,409 2.332,410 1.199,411 3.376,412 1.898,413 0.926,414 1.259,415 2.075,416 0.894,417 2.076,418 0.958,419 3.271,420 1.817,421 0.853,422 1.024,423 1.707,424 0.817,425 1.383,426 0.529,427 2.89,428 0.969,429 0.068,430 0.086,431 0.174,432 0.06,433 1.137,434 0.307,435 2.708,436 0.781,437 -0.158,438 -0.19,439 -0.345,440 -0.147,441 1.004,442 0.012,443 2.483,444 0.575,445 -0.354,446 -0.467,448 -0.886,449 -0.325,450 0.882,451 -0.302,452 2.354,453 0.382,454 -0.579,455 -0.684,457 -1.334,458 -0.526,459 12.333,460 0.493,461 0.589,462 0.024,463 35.5,464 1.42,465 19.5,466 0.78,467 16,468 0.64,469 19.699,470 0.788,471 25.467,472 0.579,473 23.936,474 0.957,475 6.62,476 0.265,477 5.549,478 0.222,479 0.105,481 0.365,485 1.166,486 1.003,487 0.775,488 0.764,489 1.298,490 0.777,491 0.36,492 0.872,493 0.733,494 0.898,495 0.39,496 0.87,497 0.97,498 1.02,499 1.04,500 0.978,501 0.799,502 0.868,503 0.639,504 1.123,505 1.283,506 1.303,507 0.579,508 1.108,509 1.636,510 1.108,511 1.537,512 1.256,513 1.473,514 1.125,515 1.084,516 1.08,517 1.271,518 1.195,519 0.833,520 1.047,521 1.27,522 0.976,523 0.985,524 0.937,525 1.203,526 1.025,527 0.878,528 1.093,529 0.74,530 0.938,531 0.935,532 1.079,533 4.5,534 0.062,535 2.667,536 2.479,537 1.53,538 0.865,539 0.493,540 0.413,541 0.254,542 0.166,543 6663,544 16554,545 2.13,546 43.2,547 7,548 7,551 5,555 1.686,556 2,557 3.118,558 2.568,564 67.184,565 1.527,566 3.657,567 4.416,568 4.863,569 5.079,570 5.17,571 2.423,572 4.484,573 4.619,574 3.241,575 972.162,576 8.017,577 11480.8,579 1,582 240.215,583 1.388,584 4.579,585 0.161,586 0.009,587 0.067,588 0.059,589 0.038,590 0.025,591 0.015,592 0.013,593 0.009,594 0.009,595 0.406,597 0.88,598 0.924,599 118.084,600 -0.187,601 0.115,602 0.041,603 0.149,604 -0.275,605 0.109,606 0.479,607 0.175,608 0.181,609 0.088,610 0.33,611 0.077,612 -0.049,613 0.019,614 0.11,615 0.132,616 -0.023,617 0.118,618 0.32,619 -0.056,620 -0.025,621 -0.132,622 0.266,623 -0.122,624 -0.362,626 -0.271,627 -0.137,628 -0.358,629 -0.181,630 -0.112,631 -0.095,632 -0.162,633 -0.136,634 -0.014,635 -0.05,636 -0.24,637 0.006,638 -0.173,639 -0.07,640 -0.187,641 -0.086,642 -0.022,643 -0.193,644 -0.03,645 -0.117,646 0.044,647 -0.11,648 1.476,649 2.125,650 0.76,651 18.262,652 0.995,653 1.121,654 4.59,655 21.068,656 0.705,657 3.367,658 3.714,659 4.043,660 4.394,661 4.625,662 4.727,663 4.852,664 5.004,665 5.075,666 5.063,667 5.396,668 0.659,669 349.5,670 3.367,671 4.92,672 5.796,673 6.703,674 7.599,675 8.514,676 9.418,677 10.335,678 11.242,679 12.16,680 11.4,684 2,688 1,690 2,694 4,695 7,696 2,697 1,700 5,702 21,711 2,718 44,719 21,720 2,721 28,723 47,724 19,725 16,726 3,727 7,729 4,730 6,734 1,739 2,741 16,742 3,754 1,757 19,758 4,759 5,760 6,761 1,764 5,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,803 1,804 1,806 1,810 25,811 2,816 2,819 1,836 12.5,837 8.067,838 5.5,839 2.714,840 4.363,841 1.573,842 1.057,843 4.277,844 11.974,845 3.676,846 4.379,847 5.074,848 5.769,849 6.338,850 6.7,851 7.128,852 7.591,853 7.932,854 8.166,855 0.833,856 42,857 9.189,859 3.919,860 7.593,861 17.787,863 14.855,865 2.093,866 52.333,869 1,870 164.795,871 131.967,872 116.151,876 32.22,877 99.747,878 164.795,879 116.151,880 8.825,881 5.069,882 132.128,883 35.286,884 30.363,885 4.227,886 197.015,888 164.795,889 215.898,891 32.22,893 164.795,897 35.416,898 146.911,899 33.571,900 32.22,901 164.795,902 116.151,903 131.967,906 164.795,907 56.808,908 75.159,909 16.786,910 99.365,911 164.795,912 116.151,913 131.967,915 0.577,916 0.349,917 0.213,918 0.12,919 21,920 9,921 0.085,922 4,923 2,924 1.211,925 3.625,926 219.857,927 0.211,928 19,929 114.096,930 1,933 16.246,934 6.581,935 2.942,936 4.05,937 99.365,938 14.738,939 8.452,940 3.396,943 4.039,945 82.58,946 412.913,947 38.5,956 43.771,957 49.318,958 0.28,959 0.67,960 0.809,961 0.891,962 0.93,963 0.947,964 4.907,965 1.472,966 5.79,967 4.006,968 4.394,969 5.066,970 2.913,971 6.653,972 4.296,973 6.15,974 1.267,975 7.373,976 3.684,977 4.007,978 5.007,980 7.639,981 3.852,982 7.487,983 0.926,984 9.06,985 2.821,986 6.023,987 7.428,988 5.027,989 10.8,990 5.839,991 8.867,992 0.853,993 10.809,994 2.075,995 6.479,996 8.227,998 12.65,999 6.25,1000 10.28,1001 0.068,1002 12.599,1003 1.707,1004 7.969,1005 10.114,1006 7.185,1007 15.325,1008 7.713,1009 11.72,1010 -0.158,1011 14.417,1012 0.174,1013 8.821,1014 11.316,1016 17.527,1017 8.529,1018 13.181,1019 -0.354,1020 16.256,1021 -0.345,1022 10.105,1023 12.987,1024 9.348,1025 20.041,1026 9.784,1027 3.285,1028 -0.579,1029 18.111,1030 -0.886,1031 11.137,1032 14.373,1034 22.385,1035 10.78,1036 3.026,1037 11.678,1038 19.978,1039 -1.334,1040 12.343,1041 15.957,1042 11.511,1043 24.845,1044 11.954,1045 2.509,1046 10.224,1047 21.856,1048 4.685,1049 13.454,1050 17.423,1052 27.246,1053 13.026,1054 2.136,1055 7.845,1056 23.742,1057 4.428,1058 14.633,1059 18.972,1060 13.675,1061 29.691,1062 14.17,1063 1.991,1064 6.364,1065 25.634,1066 3.353,1067 15.777,1068 20.474,1070 32.116,1071 15.275,1072 1.831,1073 5.959,1074 27.531,1075 2.912,1076 16.949,1077 22.009,1078 15.838,1079 34.558,1080 16.408,1081 1.618,1082 5.498,1083 29.433,1084 2.802,1085 18.108,1086 23.526,1088 36.995,1089 17.527,1090 6353,1091 10161,1092 18.898,1093 31.006,1094 42.195,1095 44.871,1096 43.803,1097 41.999,1098 41.964,1099 58.192,1100 5.9,1101 124.071,1102 39.866,1103 5.51,1104 6.593,1105 6.684,1106 5.398,1107 5.285,1108 7.685,1109 5.9,1110 18.875,1111 5.145,1112 10.919,1113 1.507,1114 1.603,1115 1.564,1116 1.5,1117 1.499,1118 2.078,1119 0.211,1120 4.431,1121 1.424,1122 4.136,1123 4.17,1124 4.216,1125 4.084,1126 5.318,1127 4.069,1128 4.04,1129 4.066,1130 4.008,1131 3.955,1132 4.981,1133 3.967,1134 3.578,1135 3.655,1136 3.611,1137 3.42,1138 4.895,1139 3.408,1140 3.468,1141 3.512,1142 3.395,1143 3.403,1144 4.73,1145 3.379,1146 3.359,1147 3.44,1148 3.284,1149 3.186,1150 4.327,1151 3.168,1152 3.098,1153 3.217,1154 3.079,1155 2.965,1156 4.144,1157 2.951,1158 3.036,1159 3.079,1160 2.967,1161 2.774,1162 4.029,1163 2.809,1164 2.85,1165 2.972,1166 2.715,1167 2.587,1168 3.826,1169 2.573,1170 0.168,1171 0.164,1172 0.247,1173 0.151,1174 0.117,1175 4.715,1176 0.167,1177 4.593,1178 0.105,1179 6.926,1180 0.417,1181 4.24,1182 0.112,1183 3.285,1184 4.685,1185 2.95,1186 11.678,1187 3.145,1188 2.066,1189 2.052,1190 2.137,1191 2.109,1192 1.293,1193 2.125,1194 1.846,1195 1.811,1196 1.967,1197 2.015,1198 1.239,1199 1.985,1200 1.65,1201 1.591,1202 1.806,1203 1.84,1204 0.879,1205 1.859,1206 1.484,1207 1.445,1208 1.654,1209 1.6,1210 0.721,1211 1.627,1212 1.352,1213 1.294,1214 1.515,1215 1.553,1216 0.637,1217 1.56,1218 1.054,1219 1.006,1220 1.282,1221 1.382,1222 0.385,1223 1.366,1224 1.014,1225 0.924,1226 1.254,1227 1.271,1228 0.282,1229 1.285,1230 0.897,1231 0.773,1232 1.231,1233 1.156,1234 0.061,1235 1.194,1236 4.043,1238 5.38,1239 2.398,1240 6.925,1241 4.844,1242 8.572,1243 7.05,1244 10.272,1246 2.152,1250 11.881,1252 1.921,1255 1.704,1262 28.982,1263 67.184,1264 160.896,1265 194.299,1266 213.95,1267 223.46,1268 227.46,1269 30.934,1270 7.611,1271 93.61,1272 118.91,1273 23,1274 12.672,1275 4.459,1276 3.524,1277 35.684,1278 80,1279 72,1280 0.22,1281 182.207,1282 293.97,1283 436.346,1284 20529,1286 17.389,1287 0.696,1288 0.589,1289 17.742,1290 14.73,1291 12.169,1292 0.435,1293 0.324,1294 8.268,1295 11.467,1296 7.986,1297 6.668,1298 12.577,1299 9.079,1300 10.975,1301 0.274,1302 0.175,1303 11.617,1304 7.005,1305 9.337,1306 0.167,1307 0.096,1308 10.128,1309 5.352,1310 8.715,1311 0.109,1312 0.054,1313 9.663,1314 4.288,1315 7.006,1316 0.069,1317 0.031,1318 8.063,1319 3.17,1320 0.333,1321 78.899,1322 0.23,1323 23.692,1324 0.639,1325 136,1326 331.108,1327 170.672,1328 357.594,1329 510.33,1330 336,1331 164,1332 383.32,1333 195.377,1334 408.488,1335 605.79,1336 387,1337 5.187}
{0 CHEMBL516128,1 1.712,2 8.72,3 3.375,4 11.393,5 102.476,6 7.815,7 0.593,8 3.937,9 4.062,10 3.579,11 3.447,12 5.094,13 3.418,14 4.431,15 4.606,16 3.982,17 3.827,18 5.534,19 3.775,20 4.556,21 4.715,22 4.121,23 3.997,24 5.621,25 3.917,26 4.686,27 4.862,28 4.18,29 4.076,30 5.762,31 3.965,32 4.813,33 5.025,34 4.013,35 4.081,36 5.828,37 3.932,38 4.78,39 5.027,40 3.826,41 3.943,42 5.725,43 3.83,44 4.662,45 4.864,46 3.773,47 3.854,48 5.688,49 3.784,50 4.716,51 4.942,52 3.627,53 3.799,54 5.771,55 3.697,56 0.075,57 0.714,58 10.018,59 4.076,60 11.889,61 5.118,62 0.337,63 1.081,64 19.87,65 7.226,66 30.251,67 8.94,68 0.232,69 1.279,70 24.251,71 8.579,72 17.973,73 10.193,74 0.314,75 1.439,76 28.116,77 10.185,78 29.362,79 12.412,80 0.528,81 1.559,82 38.333,83 10.657,84 40.501,85 13.388,86 0.437,87 1.348,88 32.817,89 9.537,90 41.307,91 12.985,92 0.384,93 1.176,94 24.878,95 8.332,96 32.334,97 10.985,98 0.506,99 1.184,100 25.069,101 8.042,102 48.501,103 11.362,104 46,105 39,106 0.295,107 0.647,108 0.757,109 0.798,110 0.813,111 0.835,112 3.268,113 0.956,114 -3.97,115 -3.93,116 -3.72,119 37,120 2,122 1,124 2,139 3,140 2,141 3,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 5,169 1,170 5,172 3,173 4,175 4,178 7,180 1,182 6,187 2,189 6,191 1,193 4,195 1,196 2,197 3,198 5,200 4,201 4,204 2,205 1,206 1,207 6,210 1,212 5,215 3,218 4,221 4,224 1,226 3,229 5,231 2,233 1,234 6,239 3,241 4,243 3,245 2,246 4,248 1,249 1,251 2,254 2,256 2,259 1,260 1,262 2,263 2,265 2,270 2,273 877,274 16.618,275 16.618,276 16.618,277 16.618,278 16.618,279 14.692,280 20.877,281 9.494,282 17.371,283 13.188,284 13.188,285 13.188,286 13.188,287 13.188,288 10.067,289 22.459,290 4.318,291 14.268,292 3.812,293 1.766,294 1.126,295 0.892,296 0.805,297 0.674,298 3.943,300 1,301 1,302 1,303 456,304 3.24,306 49.96,307 143.073,310 97.736,314 1.136,315 22.057,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54.5,327 218,328 4.737,329 4.6,330 7.033,331 4.286,332 3.325,333 4.697,334 2.95,335 12.046,336 3.2,337 4.272,338 3.498,339 6.2,340 3.835,341 2.906,342 3.917,343 0.86,344 9.275,345 2.69,346 3.896,347 3.033,348 5.904,349 3.496,350 2.559,351 3.367,352 0.86,353 8.049,354 2.401,355 3.548,356 2.729,357 5.239,358 3.158,359 2.245,360 2.869,362 6.516,363 2.035,364 3.454,365 2.613,366 5.205,367 2.997,368 2.081,369 2.82,371 6.236,372 1.9,373 3.299,374 2.373,375 4.977,376 2.916,377 1.978,378 2.561,380 5.666,381 1.844,382 3.018,383 2.12,384 4.793,385 2.665,386 1.773,387 2.125,389 4.971,390 1.563,391 2.764,392 1.996,393 4.294,394 2.33,395 1.39,396 1.852,398 3.827,399 1.296,400 2.142,401 1.268,402 3.792,403 1.781,404 0.83,405 1.05,407 2.244,408 0.786,409 1.941,410 0.927,411 3.126,412 1.64,413 0.772,414 0.873,415 1.367,416 0.662,417 1.488,418 0.915,419 2.92,420 1.207,421 0.355,422 0.392,423 0.514,424 0.3,425 1.244,426 0.662,427 2.719,428 0.839,429 -0.011,430 -0.013,431 -0.025,432 -0.009,433 1.065,434 0.352,435 2.597,436 0.644,437 -0.276,438 -0.357,439 -0.734,440 -0.252,441 0.82,442 -0.154,443 2.475,444 0.423,445 -0.489,446 -0.593,448 -1.131,449 -0.443,450 0.674,451 -0.169,452 2.263,453 0.301,454 -0.596,455 -0.698,457 -1.295,458 -0.524,459 12,460 0.48,461 0.733,462 0.029,463 33,464 1.32,465 16.5,466 0.66,467 16.5,468 0.66,469 21.922,470 0.877,471 27.6,472 0.6,473 24.034,474 0.961,475 6.357,476 0.254,477 5.582,478 0.223,479 0.233,481 0.417,485 1.053,486 1.243,487 0.789,488 0.963,489 1.248,490 0.908,491 1.041,492 0.779,493 0.708,494 0.74,495 0.635,496 0.685,497 1.065,498 1.231,499 1.109,500 1.156,501 0.922,502 0.972,503 0.701,504 1.226,505 1.092,506 1.294,507 0.657,508 1.137,509 0.889,510 1.269,511 1.722,512 1.534,513 1.067,514 1.263,515 0.974,516 0.952,517 1.118,518 1.058,519 1.053,520 0.973,521 1.359,522 1.106,523 0.969,524 1.03,525 1.003,526 1.074,527 1.248,528 1.081,529 0.93,530 0.997,531 1.244,532 1.211,533 6,534 0.049,535 2.667,536 2.632,537 2.113,538 1.014,539 0.757,540 0.517,541 0.344,542 0.155,543 5982,544 17129,545 1.992,546 45.7,547 7,548 9,551 5,555 1.688,556 1.807,557 3.106,558 2.647,559 1,560 1,564 78.749,565 1.712,566 3.758,567 4.398,568 4.632,569 4.719,570 4.849,571 2.423,572 4.404,573 4.617,574 3.223,575 967.002,576 8.025,577 11443.1,579 1,581 1,582 254.084,583 1.554,584 4.541,585 0.222,586 0.008,587 0.068,588 0.063,589 0.05,590 0.029,591 0.023,592 0.016,593 0.013,594 0.01,595 0.502,596 0.17,597 1,598 1.047,599 117.951,600 -0.138,601 -0.03,602 0.048,603 0.048,604 -0.262,605 0.053,606 0.079,607 0.296,608 0.263,609 0.3,610 0.247,611 0.297,612 -0.122,613 -0.065,614 0.046,615 0.039,616 -0.102,617 0.036,618 0.119,619 -0.097,620 0.059,621 -0.103,622 0.149,623 -0.113,624 -0.049,625 -0.119,626 -0.353,627 -0.276,628 -0.138,629 -0.258,630 -0.064,631 0.036,632 -0.093,633 -0.058,634 -0.111,635 0.01,636 -0.143,637 -0.15,638 -0.143,639 -0.131,640 -0.05,641 -0.12,642 -0.059,643 -0.157,644 -0.201,645 -0.208,646 -0.102,647 -0.289,648 1.517,649 2.099,650 0.6,651 18.717,652 1.007,653 1.134,654 2.742,655 7.519,656 0.667,657 3.332,658 3.689,659 3.989,660 4.317,661 4.533,662 4.654,663 4.745,664 4.828,665 4.836,666 4.836,667 5.352,668 0.629,669 359.5,670 3.332,671 4.89,672 5.759,673 6.668,674 7.561,675 8.477,676 9.379,677 10.298,678 11.206,679 12.126,680 10.9,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,716 2,718 46,719 16,720 1,721 27,723 48,724 17,725 12,726 3,727 3,729 3,730 4,734 2,741 12,742 5,743 1,753 1,754 1,757 21,758 6,759 5,760 8,761 1,764 5,769 0.667,770 2,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 4,810 25,811 2,818 2,819 1,820 1,829 4.3,834 2,836 13.833,837 9.4,838 5.583,839 2.499,840 3.222,841 1.447,842 0.978,843 5.198,844 10.424,845 3.584,846 4.259,847 4.91,848 5.573,849 6.11,850 6.469,851 6.837,852 7.244,853 7.469,854 7.76,855 0.833,856 42,857 9.163,859 3.794,860 7.727,861 17.382,863 13.858,865 2.227,866 55.667,869 1,870 188.338,871 124.925,872 116.151,874 22,876 32.22,877 92.706,878 210.337,879 116.151,880 39.417,882 94.223,883 35.286,884 57.703,885 4.227,886 220.557,888 188.338,889 208.857,890 22,891 32.22,893 188.338,894 22,897 39.172,898 136.113,899 33.571,900 32.22,901 188.338,902 138.151,903 124.925,906 188.338,907 57.08,908 67.845,909 16.786,910 121.365,911 188.338,912 138.151,913 124.925,915 0.585,916 0.354,917 0.204,918 0.113,919 19,920 10,921 0.104,922 5,923 1,924 1.133,925 3.476,926 213.423,927 0.133,928 15,929 114.096,930 1,933 18.013,934 7.215,935 3.458,936 1.451,937 121.365,938 5.676,939 8.377,940 3.32,943 4.969,945 82.58,946 451.414,947 35,956 46.309,957 52.152,958 0.31,959 0.68,960 0.796,961 0.839,962 0.854,963 0.878,964 4.836,965 1.39,966 5.778,967 4.971,968 4.369,969 4.945,970 3.062,971 6.648,972 4.225,973 6.082,974 0.83,975 7.376,976 3.827,977 4.111,978 4.956,980 7.67,981 3.925,982 7.423,983 0.772,984 9.071,985 2.244,986 6.019,987 7.262,988 5.041,989 10.8,990 5.764,991 8.802,992 0.355,993 10.823,994 1.367,995 6.538,996 8.073,998 12.664,999 6.252,1000 10.212,1001 -0.011,1002 12.612,1003 0.514,1004 7.968,1005 9.903,1006 7.186,1007 15.344,1008 7.63,1009 11.645,1010 -0.276,1011 14.428,1012 -0.025,1013 8.848,1014 11.096,1016 17.576,1017 8.481,1018 13.098,1019 -0.489,1020 16.266,1021 -0.734,1022 10.105,1023 12.74,1024 9.348,1025 20.113,1026 9.697,1027 3.325,1028 -0.596,1029 18.121,1030 -1.131,1031 11.152,1032 14.118,1034 22.498,1035 10.714,1036 2.906,1037 12.046,1038 19.99,1039 -1.295,1040 12.35,1041 15.691,1042 11.511,1043 24.992,1044 11.877,1045 2.559,1046 9.275,1047 21.872,1048 4.697,1049 13.473,1050 17.155,1052 27.437,1053 12.968,1054 2.245,1055 8.049,1056 23.764,1057 3.917,1058 14.655,1059 18.702,1060 13.675,1061 29.921,1062 14.117,1063 2.081,1064 6.516,1065 25.665,1066 3.367,1067 15.812,1068 20.207,1070 32.39,1071 15.242,1072 1.978,1073 6.236,1074 27.573,1075 2.869,1076 16.994,1077 21.747,1078 15.838,1079 34.873,1080 16.39,1081 1.773,1082 5.666,1083 29.487,1084 2.82,1085 18.168,1086 23.271,1088 37.353,1089 17.532,1090 6016,1091 10318,1092 17.224,1093 30.676,1094 40.601,1095 43.853,1096 43.411,1097 40.416,1098 40.426,1099 53.046,1100 9.34,1101 121.421,1102 37.355,1103 5.539,1104 6.6,1105 6.602,1106 5.448,1107 5.325,1108 7.697,1109 5.9,1110 19.245,1111 5.2,1112 15.339,1113 1.504,1114 1.624,1115 1.608,1116 1.497,1117 1.497,1118 1.965,1119 0.346,1120 4.497,1121 1.384,1122 4.122,1123 4.161,1124 4.196,1125 4.023,1126 5.318,1127 4.025,1128 3.891,1129 3.903,1130 3.909,1131 3.816,1132 4.981,1133 3.815,1134 3.576,1135 3.65,1136 3.53,1137 3.408,1138 4.913,1139 3.407,1140 3.345,1141 3.425,1142 3.358,1143 3.163,1144 4.734,1145 3.138,1146 3.312,1147 3.366,1148 3.168,1149 3.017,1150 4.601,1151 3.042,1152 3.146,1153 3.235,1154 3.028,1155 2.868,1156 4.193,1157 2.857,1158 3.087,1159 3.21,1160 2.955,1161 2.815,1162 4.141,1163 2.808,1164 2.874,1165 3.009,1166 2.878,1167 2.739,1168 4.017,1169 2.747,1170 0.175,1171 0.17,1172 0.26,1173 0.159,1174 0.123,1175 4.737,1176 0.174,1177 4.6,1178 0.109,1179 7.033,1180 0.446,1181 4.286,1182 0.119,1183 3.325,1184 4.697,1185 2.95,1186 12.046,1187 3.2,1188 1.878,1189 1.867,1190 1.975,1191 2.017,1192 1.224,1193 1.99,1194 1.845,1195 1.813,1196 1.934,1197 1.964,1198 1.065,1199 1.964,1200 1.648,1201 1.589,1202 1.79,1203 1.841,1204 0.825,1205 1.853,1206 1.287,1207 1.231,1208 1.592,1209 1.568,1210 0.589,1211 1.572,1212 1.232,1213 1.169,1214 1.536,1215 1.527,1216 0.566,1217 1.521,1218 1.129,1219 1.035,1220 1.417,1221 1.432,1222 0.534,1223 1.467,1224 1,1225 0.903,1226 1.402,1227 1.374,1228 0.469,1229 1.357,1230 0.934,1231 0.811,1232 1.267,1233 1.239,1234 0.179,1235 1.308,1236 4.007,1238 5.352,1239 2.398,1240 6.893,1241 4.844,1242 8.531,1243 7.066,1244 10.221,1246 7.485,1250 11.83,1254 10.797,1255 1.539,1256 0.224,1262 28.938,1263 78.749,1264 172.859,1265 202.309,1266 213.064,1267 217.064,1268 223.064,1269 38.602,1270 7.202,1271 112.07,1272 137.37,1273 17,1274 12.637,1275 4.087,1276 3.17,1277 41.427,1278 79,1279 82,1280 0.261,1281 184.263,1282 305.49,1283 441.362,1284 11466,1286 18.137,1287 0.725,1288 0.616,1289 18.491,1290 15.4,1291 11.939,1292 0.442,1293 0.319,1294 7.708,1295 10.93,1296 7.31,1297 6.171,1298 12.347,1299 8.603,1300 10.96,1301 0.281,1302 0.177,1303 11.602,1304 6.884,1305 9,1306 0.17,1307 0.093,1308 9.773,1309 4.925,1310 8.086,1311 0.109,1312 0.054,1313 9.133,1314 3.988,1315 6.262,1316 0.068,1317 0.029,1318 7.293,1319 2.694,1320 0.394,1321 79.75,1322 0.241,1323 23.601,1324 0.765,1325 132,1326 394.579,1327 172.429,1328 400.577,1329 556.11,1330 376,1331 158,1332 404.411,1333 195.58,1334 427.882,1335 628.16,1336 399,1337 4.298}
{0 CHEMBL516891,1 1.572,2 7.857,3 3.613,4 13.051,5 89.602,6 7.88,7 0.696,8 3.742,9 3.881,10 3.407,11 3.334,12 4.874,13 3.281,14 4.214,15 4.389,16 3.808,17 3.722,18 5.313,19 3.63,20 4.41,21 4.62,22 3.855,23 3.83,24 5.377,25 3.7,26 4.393,27 4.592,28 3.835,29 3.788,30 5.455,31 3.662,32 4.447,33 4.664,34 3.741,35 3.771,36 5.468,37 3.648,38 4.479,39 4.723,40 3.515,41 3.736,42 5.392,43 3.584,44 4.386,45 4.642,46 3.29,47 3.591,48 5.354,49 3.452,50 4.303,51 4.591,52 3.001,53 3.388,54 5.241,55 3.216,56 0.051,57 0.622,58 8.147,59 3.251,60 9.804,61 4.209,62 0.175,63 0.966,64 15.016,65 6.058,66 19.919,67 7.87,68 0.131,69 1.121,70 22.456,71 7.783,72 16.256,73 9.527,74 0.222,75 1.127,76 22.284,77 7.656,78 23.481,79 9.423,80 0.267,81 1.162,82 23.074,83 6.38,84 28.446,85 8.244,86 0.192,87 1.1,88 24.765,89 7.898,90 23.07,91 10.368,92 0.183,93 0.972,94 19.566,95 6.41,96 28.415,97 8.953,98 0.139,99 0.83,100 17.354,101 5.985,102 28.101,103 8.79,104 12,105 32,106 0.281,107 0.664,108 0.774,109 0.829,110 0.842,111 0.842,112 3.104,113 1,114 -5.01,115 -4.91,116 -4.6,119 39.5,120 1,121 2,139 5,140 2,141 1,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 8,169 1,170 2,172 3,173 4,175 4,178 10,180 1,182 2,187 2,189 8,191 1,193 3,195 1,196 2,197 3,198 5,200 4,201 5,204 2,205 1,207 3,212 6,215 7,218 3,221 4,226 4,229 7,231 3,234 4,239 3,241 6,243 3,246 3,251 5,254 3,256 5,260 1,265 3,268 1,270 3,273 544,274 14.301,275 14.301,276 14.301,277 14.301,278 14.301,279 12.322,280 12.186,281 8.63,282 14.713,283 11.364,284 11.364,285 11.364,286 11.364,287 11.364,288 8.397,289 12.36,290 4.058,291 12.094,292 3.676,293 1.539,294 0.924,295 0.619,296 0.546,297 0.546,298 3.784,300 1,301 1,302 1,303 351,304 2.55,306 40.931,307 114.292,310 79.451,314 1.129,315 14.485,316 1,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 44.5,327 165,328 4.712,329 4.578,330 6.924,331 4.237,332 3.28,333 4.684,334 2.95,335 11.672,336 3.143,337 3.972,338 3.39,339 5.824,340 3.521,341 2.618,342 3.501,344 8.03,345 2.36,346 3.775,347 2.911,348 5.326,349 3.319,350 2.375,351 3.278,353 6.817,354 2.234,355 3.44,356 2.371,357 5.134,358 2.955,359 2.034,360 2.819,362 6.038,363 1.865,364 3.243,365 2.012,366 4.947,367 2.786,368 1.851,369 2.52,371 5.521,372 1.726,373 2.902,374 1.947,375 4.37,376 2.51,377 1.566,378 2.055,380 3.94,381 1.457,382 2.64,383 1.712,384 3.593,385 2.283,386 1.323,387 1.675,389 2.973,390 1.258,391 2.5,392 1,393 3.303,394 2,395 1,396 1.5,398 2.136,399 1,400 2.076,401 0.963,402 3.247,403 1.86,404 0.895,405 1.024,407 1.708,408 0.86,409 1.31,410 0.627,411 2.867,412 0.932,413 0.04,414 0.049,415 0.101,416 0.035,417 1.132,418 0.337,419 2.701,420 0.754,421 -0.166,422 -0.203,423 -0.38,424 -0.154,425 0.911,426 0.011,427 2.475,428 0.503,429 -0.416,430 -0.528,431 -0.99,432 -0.377,433 0.623,434 -0.303,435 2.222,436 0.313,437 -0.61,438 -0.705,439 -1.342,440 -0.558,441 0.5,442 -0.501,443 1.776,444 0.022,445 -0.927,446 -1.122,448 -2.002,449 -0.858,450 0.362,451 -1,452 1.563,454 -1,455 -1.5,457 -2.347,458 -1,459 10.333,460 0.492,461 0.486,462 0.023,463 29,464 1.381,465 15.5,466 0.738,467 13.5,468 0.643,469 15.814,470 0.753,471 22.067,472 0.581,473 18.251,474 0.869,475 5.398,476 0.257,477 4.788,478 0.228,479 0.126,481 0.339,485 1.199,486 1.084,487 0.791,488 0.793,489 1.328,490 0.81,491 0.358,492 0.923,493 0.738,494 0.935,495 0.37,496 0.904,497 1.028,498 1.118,499 1.144,500 1.077,501 0.841,502 0.911,503 0.651,504 1.169,505 1.233,506 1.308,507 0.565,508 1.095,509 1.759,510 1.08,511 1.392,512 1.125,513 1.577,514 1.085,515 1.056,516 1.099,517 1.253,518 1.221,519 0.848,520 1.114,521 1.225,522 0.994,523 1.02,524 0.985,525 1.231,526 1.098,527 0.905,528 1.024,529 0.741,530 0.902,531 1.051,532 1.09,533 4,534 0.012,535 1.778,536 2.104,537 1.286,538 0.775,539 0.396,540 0.263,541 0.132,542 0.061,543 3958,544 10281,545 2.074,546 44.7,547 7,548 5,551 5,555 1.638,556 1.938,557 2.967,558 2.798,560 1,562 1,564 59.721,565 1.572,566 3.709,567 4.324,568 4.629,569 4.702,570 4.702,571 2.398,572 3.88,573 4.361,574 3.089,575 648.697,576 7.507,577 6771.64,578 1,579 1,580 1,581 1,582 199.421,583 1.418,584 4.322,585 0.174,586 0.012,587 0.056,588 0.066,589 0.041,590 0.029,591 0.017,592 0.013,593 0.009,594 0.01,595 0.427,596 0.17,597 1,598 1.029,599 93.064,600 -0.211,601 0.081,602 0.038,603 0.148,604 -0.288,605 0.105,606 0.5,607 0.155,608 0.199,609 0.079,610 0.362,611 0.067,612 -0.072,613 -0.06,614 0.06,615 0.075,616 -0.042,617 0.09,618 0.354,619 -0.088,620 -0.026,621 -0.162,622 0.32,623 -0.11,624 -0.44,625 0.04,626 -0.259,627 -0.094,628 -0.406,629 -0.174,630 -0.135,631 -0.128,632 -0.196,633 -0.183,634 -0.033,635 -0.121,636 -0.239,637 -0.05,638 -0.203,639 -0.124,640 -0.175,641 -0.15,642 -0.042,643 -0.185,644 -0.028,645 -0.109,646 0.006,647 -0.12,648 1.472,649 2.034,650 0.714,651 15.433,652 0.997,653 1.129,654 3.781,655 14.293,656 0.691,657 3.178,658 3.497,659 3.784,660 4.127,661 4.331,662 4.419,663 4.5,664 4.585,665 4.522,666 4.407,667 4.848,668 0.644,669 299.44,670 3.178,671 4.71,672 5.565,673 6.46,674 7.341,675 8.249,676 9.143,677 10.056,678 10.956,679 11.872,680 13.2,684 2,688 1,690 2,694 2,695 5,696 2,697 1,700 5,702 16,711 2,718 38,719 16,720 1,721 23,723 40,724 15,725 12,726 1,727 5,729 3,730 4,734 1,739 2,741 12,742 3,753 1,754 1,757 17,758 4,759 5,760 6,761 1,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 1,810 21,811 2,816 2,819 1,836 10.833,837 6.9,838 4.694,839 2.311,840 3.086,841 1.453,842 1.027,843 4.037,844 9.897,845 3.466,846 4.123,847 4.763,848 5.439,849 5.967,850 6.292,851 6.685,852 7.102,853 7.264,854 7.465,855 1,856 32,857 7.706,859 3.22,860 7.643,861 14.824,863 12.059,865 2.143,866 45,867 0.001,870 141.253,871 107.869,872 116.151,876 32.22,877 75.649,878 141.253,879 116.151,880 8.825,881 5.069,882 113.176,883 35.286,884 25.217,885 4.227,886 173.473,888 141.253,889 191.8,891 32.22,893 141.253,897 35.416,898 122.813,899 33.571,900 32.22,901 141.253,902 116.151,903 107.869,906 141.253,907 51.662,908 56.206,909 16.786,910 99.365,911 141.253,912 116.151,913 107.869,915 0.57,916 0.334,917 0.204,918 0.117,919 16,920 7,921 0.1,922 4,923 1,924 1.133,925 3.28,926 164.522,927 0.133,928 15,929 88.239,930 1,933 14.233,934 5.957,935 2.845,936 1.603,937 99.365,938 10.213,939 8.34,940 3.331,943 4.03,945 82.58,946 365.273,947 31,956 37.887,957 42.903,958 0.299,959 0.707,960 0.824,961 0.882,962 0.896,963 0.896,964 4.682,965 1,966 5.549,967 2.973,968 4.174,969 4.808,970 2.913,971 6.385,972 4.05,973 5.908,974 0.895,975 7.114,976 2.136,977 3.761,978 4.691,980 7.326,981 3.557,982 7.23,983 0.04,984 8.783,985 1.708,986 5.771,987 7.109,988 5.027,989 10.49,990 5.532,991 8.593,992 -0.166,993 10.516,994 0.101,995 6.196,996 7.853,998 12.328,999 5.897,1000 9.992,1001 -0.416,1002 12.292,1003 -0.38,1004 7.688,1005 9.746,1006 7.185,1007 15.016,1008 7.357,1009 11.418,1010 -0.61,1011 14.1,1012 -0.99,1013 8.523,1014 10.914,1016 17.235,1017 8.148,1018 12.867,1019 -0.927,1020 15.931,1021 -1.342,1022 9.81,1023 12.592,1024 9.348,1025 19.767,1026 9.403,1027 3.28,1028 -1,1029 17.782,1030 -2.002,1031 10.837,1032 13.967,1034 22.135,1035 10.394,1036 2.618,1037 11.672,1038 19.649,1039 -2.347,1040 12.049,1041 15.559,1042 11.511,1043 24.616,1044 11.572,1045 2.375,1046 8.03,1047 21.528,1048 4.684,1049 13.164,1050 17.028,1052 27.04,1053 12.651,1054 2.034,1055 6.817,1056 23.418,1057 3.501,1058 14.352,1059 18.587,1060 13.675,1061 29.504,1062 13.804,1063 1.851,1064 6.038,1065 25.316,1066 3.278,1067 15.505,1068 20.098,1070 31.949,1071 14.92,1072 1.566,1073 5.521,1074 27.222,1075 2.819,1076 16.687,1077 21.646,1078 15.838,1079 34.408,1080 16.065,1081 1.323,1082 3.94,1083 29.133,1084 2.52,1085 17.857,1086 23.176,1088 36.86,1089 17.197,1090 3918,1091 6447,1092 15.315,1093 26.245,1094 34.258,1095 36.634,1096 35.417,1097 34.036,1098 33.968,1099 46.211,1100 5.9,1101 97.869,1102 31.878,1103 5.497,1104 6.578,1105 6.726,1106 5.381,1107 5.28,1108 7.684,1109 5.9,1110 18.826,1111 5.143,1112 9.617,1113 1.489,1114 1.593,1115 1.54,1116 1.48,1117 1.477,1118 2.009,1119 0.257,1120 4.255,1121 1.386,1122 4.117,1123 4.157,1124 4.188,1125 4.017,1126 5.318,1127 4.017,1128 3.86,1129 3.889,1130 3.878,1131 3.812,1132 4.981,1133 3.798,1134 3.576,1135 3.654,1136 3.5,1137 3.412,1138 4.78,1139 3.403,1140 3.366,1141 3.451,1142 3.346,1143 3.184,1144 4.694,1145 3.167,1146 3.096,1147 3.217,1148 3.055,1149 2.855,1150 4.144,1151 2.832,1152 2.867,1153 2.972,1154 2.963,1155 2.744,1156 4.027,1157 2.753,1158 2.854,1159 2.925,1160 2.687,1161 2.735,1162 3.708,1163 2.715,1164 2.849,1165 2.905,1166 2.586,1167 2.586,1168 3.674,1169 2.571,1170 0.205,1171 0.199,1172 0.301,1173 0.184,1174 0.143,1175 4.712,1176 0.204,1177 4.578,1178 0.128,1179 6.924,1180 0.507,1181 4.237,1182 0.137,1183 3.28,1184 4.684,1185 2.95,1186 11.672,1187 3.143,1188 1.884,1189 1.863,1190 1.987,1191 2.015,1192 1.247,1193 1.986,1194 1.841,1195 1.805,1196 1.964,1197 1.945,1198 1.064,1199 1.97,1200 1.643,1201 1.58,1202 1.806,1203 1.835,1204 0.878,1205 1.855,1206 1.357,1207 1.298,1208 1.516,1209 1.571,1210 0.652,1211 1.573,1212 1.03,1213 0.937,1214 1.279,1215 1.382,1216 0.346,1217 1.366,1218 0.9,1219 0.821,1220 1.254,1221 1.27,1222 0.218,1223 1.285,1224 0.886,1225 0.808,1226 1.181,1227 1.062,1228 0.148,1229 1.107,1230 0.849,1231 0.768,1232 1.058,1233 0.997,1235 1.052,1236 3.85,1238 5.165,1239 2.398,1240 6.681,1241 4.844,1242 8.298,1243 7.05,1244 9.97,1246 2.143,1250 11.716,1252 1.95,1255 1.675,1262 24.455,1263 59.721,1264 140.941,1265 164.302,1266 175.911,1267 178.666,1268 178.666,1269 26.064,1270 6.811,1271 93.61,1272 118.91,1273 17,1274 12.387,1275 4.087,1276 3.17,1277 31.931,1278 60,1279 61,1280 0.269,1281 157.086,1282 253.31,1283 375.05,1284 7011,1286 14.82,1287 0.706,1288 0.599,1289 15.173,1290 12.575,1291 10.186,1292 0.443,1293 0.333,1294 6.857,1295 9.469,1296 6.609,1297 5.544,1298 10.594,1299 7.668,1300 9.079,1301 0.284,1302 0.184,1303 9.748,1304 5.872,1305 7.369,1306 0.171,1307 0.1,1308 8.126,1309 4.286,1310 6.813,1311 0.112,1312 0.055,1313 7.669,1314 3.367,1315 5.3,1316 0.071,1317 0.033,1318 6.241,1319 2.454,1320 0.403,1321 67,1322 0.256,1323 20.41,1324 0.795,1325 110,1326 281.108,1327 144.672,1328 305.303,1329 430.89,1330 286,1331 130,1332 318.32,1333 159.707,1334 340.601,1335 501.9,1336 322,1337 5.903}
{0 CHEMBL51706,1 1.804,2 10.087,3 4.047,4 16.377,5 94.781,6 10.872,7 0.68,8 3.677,9 3.793,10 3.541,11 3.275,12 4.941,13 3.275,14 4.121,15 4.257,16 3.981,17 3.66,18 5.434,19 3.638,20 4.357,21 4.52,22 4.116,23 3.775,24 5.648,25 3.73,26 4.318,27 4.482,28 4.263,29 3.735,30 5.661,31 3.644,32 4.264,33 4.472,34 3.581,35 3.525,36 5.416,37 3.419,38 4.161,39 4.406,40 3.611,41 3.401,42 5.314,43 3.305,44 3.955,45 4.154,46 3.536,47 3.349,48 5.09,49 3.248,50 3.773,51 3.929,52 3.592,53 3.246,54 5.048,55 3.17,56 0.153,57 0.546,58 2.476,59 2.19,60 15.634,61 2.108,62 0.268,63 0.809,64 5.54,65 4.018,66 20.943,67 4.509,68 0.507,69 0.91,70 15.116,71 5.286,72 40.595,73 5.374,74 0.527,75 0.839,76 23.092,77 5.717,78 46.072,79 5.929,80 0.467,81 0.78,82 18.776,83 5.588,84 45.737,85 6.16,86 0.455,87 0.685,88 15.993,89 5.137,90 42.179,91 6.113,92 0.335,93 0.531,94 15.594,95 4.426,96 30.193,97 4.979,98 0.251,99 0.459,100 9.204,101 3.405,102 23.558,103 3.826,104 26,105 36,106 0.33,107 0.672,108 0.785,109 0.854,110 0.854,111 0.854,112 3.188,113 0.917,114 -4.35,115 -4.29,116 -4.04,119 41.2,125 1,139 4,141 4,143 3,144 1,147 1,157 2,158 2,159 2,166 1,169 1,170 2,172 3,173 3,178 5,181 2,182 2,184 1,185 2,187 5,193 1,195 1,196 1,197 1,198 3,200 2,201 5,204 2,205 1,207 1,209 1,210 1,212 3,218 2,221 4,224 2,225 1,228 1,229 4,241 4,246 1,250 1,253 1,254 1,260 8,265 4,268 1,270 4,273 662,274 15.033,275 15.033,276 15.033,277 15.033,278 15.033,279 12.814,280 17.506,281 8.632,282 15.676,283 12.316,284 12.316,285 12.316,286 12.316,287 12.316,288 9.005,289 21.684,290 4.104,291 13.537,292 3.283,293 1.408,294 0.787,295 0.412,296 0.412,297 0.412,298 3.865,299 3,300 1,301 1,302 1,303 494,304 2.55,307 191.599,311 99.416,314 1.395,315 26.498,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 50,327 232,328 4.541,329 3.417,330 6.502,331 4.033,332 3.081,333 4.491,334 0.657,335 10.175,336 2.934,337 4.381,338 3.128,339 6.418,340 3.917,341 3.009,342 4.07,344 9.769,345 2.672,346 3.771,347 2.761,348 5.313,349 3.357,350 2.412,351 3.233,353 6.886,354 2.278,355 3.476,356 2.623,357 5.062,358 3.008,359 2.128,360 2.811,362 5.939,363 1.889,364 3.427,365 2.619,366 5.015,367 2.956,368 2.034,369 2.797,371 5.8,372 1.859,373 3.362,374 2.188,375 4.965,376 2.892,377 1.954,378 2.684,380 5.735,381 1.74,382 3.232,383 2.048,384 4.879,385 2.707,386 1.879,387 2.481,389 5.225,390 1.441,391 2.455,392 1.592,393 3.711,394 1.969,395 1.037,396 1.436,398 2.565,399 0.961,400 2.148,401 1.058,402 3.576,403 1.857,404 0.99,405 1.114,407 2.451,408 0.812,409 1.528,410 0.676,411 2.935,412 1.129,413 0.249,414 0.3,415 0.633,416 0.2,417 1.152,418 0.308,419 2.678,420 0.739,421 -0.145,422 -0.181,423 -0.364,424 -0.121,425 1,426 0.173,427 2.653,428 0.473,429 -0.347,430 -0.445,431 -0.898,432 -0.229,433 0.961,434 0.076,435 2.519,436 0.471,437 -0.448,438 -0.577,439 -1.156,440 -0.328,441 0.592,442 -0.296,443 2.315,444 0.137,445 -0.667,446 -0.739,448 -1.489,449 -0.41,450 0.466,451 -0.522,452 2,453 0.128,454 -0.814,455 -0.997,457 -2.042,458 -0.726,459 11.543,460 0.502,461 0.736,462 0.032,463 33.25,464 1.446,465 17.5,466 0.761,467 15.75,468 0.685,469 16.868,470 0.733,471 23.857,472 0.702,473 22.396,474 0.974,475 6.483,476 0.282,477 4.452,478 0.194,479 0.255,481 0.39,485 0.91,486 1.205,487 0.505,488 0.601,489 1.052,490 0.612,491 0.676,492 1.117,493 0.549,494 0.74,495 0.511,496 0.749,497 1.067,498 0.972,499 1.001,500 0.927,501 1.006,502 0.935,503 0.873,504 1.181,505 0.771,506 1.015,507 0.771,508 1.107,509 1.074,510 1.09,511 1.108,512 1.246,513 1.219,514 1.311,515 0.732,516 0.64,517 0.68,518 0.721,519 0.813,520 0.847,521 1.19,522 0.817,523 1.127,524 0.88,525 1.094,526 0.908,527 0.973,528 1.059,529 1.031,530 0.997,531 1.062,532 0.961,533 6,534 0.181,535 2.889,536 2.063,537 1.662,538 0.632,539 0.303,540 0.342,541 0.353,542 0.127,543 5617,544 22957,545 2.016,546 32.4,548 6,551 5,555 1.654,556 1.84,557 3.259,558 2.803,560 1,564 61.352,565 1.804,566 3.679,567 4.301,568 4.676,569 4.676,570 4.676,571 2.647,572 4.263,573 4.5,574 3.412,575 863.166,576 7.728,577 9845.38,579 1,580 1,581 1,582 172.974,583 1.538,584 4.428,585 0.24,586 0.016,587 0.08,588 0.056,589 0.054,590 0.029,591 0.014,592 0.017,593 0.018,594 0.007,595 0.531,596 0.17,597 1,598 0.675,599 107.895,600 -0.237,601 -0.017,602 -0.028,603 0.134,604 -0.324,605 0.11,606 0.063,607 -0.004,608 0.064,609 0.072,610 0.167,611 0.063,612 -0.102,613 0.082,614 -0.123,615 -0.035,616 -0.139,617 -0.071,618 0.109,619 -0.203,620 0.217,621 -0.055,622 0.177,623 -0.169,624 -0.184,625 -0.142,626 -0.233,627 -0.279,628 -0.262,629 -0.297,630 0.133,631 0.296,632 0.152,633 0.277,634 0.071,635 0.243,636 -0.234,637 0.082,638 -0.081,639 0.166,640 -0.191,641 0.163,642 -0.015,643 -0.108,644 -0.01,645 -0.007,646 -0.078,647 0.013,648 1.553,649 2.022,650 0.696,651 17.512,652 1.033,653 1.132,654 3.123,655 9.752,656 0.755,657 3.258,658 3.611,659 3.85,660 4.111,661 4.29,662 4.317,663 4.263,664 4.382,665 4.533,666 4.511,667 5.84,668 0.727,669 369.66,670 3.258,671 4.812,672 5.659,673 6.547,674 7.407,675 8.294,676 9.159,677 10.046,678 10.912,679 11.799,680 17.6,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,717 3,718 34,719 17,720 1,721 25,723 36,724 14,725 13,726 4,727 2,729 3,730 4,731 3,741 13,742 1,754 1,757 11,758 6,759 5,760 9,761 3,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,807 3,810 23,811 2,816 1,817 1,828 3,836 12.5,837 6.029,838 4.944,839 1.747,840 3.388,841 1.483,842 1.021,843 4.636,844 10.396,845 3.541,846 4.234,847 4.834,848 5.44,849 6,850 6.243,851 6.473,852 6.849,853 7.276,854 7.34,855 0.857,856 37,857 8.381,859 3.575,860 7.949,861 15.46,863 12.429,865 2.449,866 56.333,870 70.627,871 64.541,872 134.162,873 117.446,877 64.541,878 188.073,879 134.162,881 2.106,882 103.699,883 68.367,884 20.304,885 4.227,886 70.627,887 117.446,888 70.627,889 198.703,891 117.446,893 70.627,897 11.05,898 119.286,899 185.813,901 70.627,902 134.162,903 181.987,906 70.627,907 26.636,908 37.905,909 18.011,910 233.597,911 70.627,912 134.162,913 181.987,915 0.595,916 0.344,917 0.187,918 0.096,919 18,920 9,921 0.083,922 3,923 1,924 1.125,925 3.465,926 181.908,927 0.125,928 16,929 98.042,933 16.33,934 6.529,935 3.53,936 1.077,937 134.162,938 6.803,939 12.412,943 2.981,945 83.805,946 386.776,947 33.5,956 35.116,957 38.483,958 0.355,959 0.723,960 0.845,961 0.919,962 0.919,963 0.919,964 4.781,965 1.037,966 5.673,967 5.225,968 4.29,969 4.92,970 0.623,971 6.491,972 4.104,973 6.034,974 0.99,975 7.244,976 2.565,977 4.007,978 4.913,980 7.38,981 3.664,982 7.368,983 0.249,984 8.907,985 2.451,986 5.9,987 7.229,988 0.317,989 10.462,990 5.574,991 8.735,992 -0.145,993 10.622,994 0.633,995 6.347,996 7.966,998 12.132,999 5.881,1000 10.127,1001 -0.347,1002 12.37,1003 -0.364,1004 7.774,1005 9.814,1006 0.149,1007 14.751,1008 7.313,1009 11.539,1010 -0.448,1011 14.142,1012 -0.898,1013 8.571,1014 10.922,1016 16.773,1017 7.991,1018 12.966,1019 -0.667,1020 15.932,1021 -1.156,1022 9.81,1023 12.569,1024 0.067,1025 19.213,1026 9.214,1027 3.081,1028 -0.814,1029 17.737,1030 -1.489,1031 10.778,1032 13.867,1034 21.393,1035 10.082,1036 3.009,1037 10.175,1038 19.553,1039 -2.042,1040 11.941,1041 15.423,1042 0.03,1043 23.757,1044 11.21,1045 2.412,1046 9.769,1047 21.379,1048 4.491,1049 12.988,1050 16.817,1052 26.007,1053 12.173,1054 2.128,1055 6.886,1056 23.213,1057 4.07,1058 14.12,1059 18.333,1060 0.013,1061 28.338,1062 13.26,1063 2.034,1064 5.939,1065 25.053,1066 3.233,1067 15.204,1068 19.774,1070 30.619,1071 14.272,1072 1.954,1073 5.8,1074 26.898,1075 2.811,1076 16.325,1077 21.273,1078 0.006,1079 32.937,1080 15.342,1081 1.879,1082 5.735,1083 28.747,1084 2.797,1085 17.426,1086 22.738,1088 35.231,1089 16.378,1090 5502,1091 11258,1092 16.126,1093 25.654,1094 37.841,1095 38.71,1096 39.156,1097 37.89,1098 37.545,1099 50.833,1100 1.315,1101 110.355,1102 33.572,1103 5.375,1104 5.417,1105 5.838,1106 5.106,1107 5.081,1108 7.491,1109 1.315,1110 17.069,1111 4.934,1112 13.456,1113 1.514,1114 1.548,1115 1.566,1116 1.516,1117 1.502,1118 2.033,1119 0.053,1120 4.414,1121 1.343,1122 4.054,1123 4.097,1124 4.165,1125 3.932,1126 5.324,1127 3.947,1128 3.908,1129 3.923,1130 4.016,1131 3.855,1132 5.078,1133 3.851,1134 3.526,1135 3.593,1136 3.604,1137 3.341,1138 4.988,1139 3.361,1140 3.199,1141 3.279,1142 3.582,1143 3.007,1144 4.776,1145 3.013,1146 3.112,1147 3.228,1148 3.45,1149 2.849,1150 4.632,1151 2.851,1152 2.901,1153 2.918,1154 3.05,1155 2.819,1156 4.632,1157 2.815,1158 2.84,1159 2.879,1160 2.993,1161 2.736,1162 4.25,1163 2.724,1164 2.618,1165 2.739,1166 2.637,1167 2.326,1168 3.963,1169 2.337,1170 0.182,1171 0.137,1172 0.26,1173 0.161,1174 0.123,1175 4.541,1176 0.18,1177 3.417,1178 0.026,1179 6.502,1180 0.407,1181 4.033,1182 0.117,1183 3.081,1184 4.491,1185 0.657,1186 10.175,1187 2.934,1188 1.971,1189 1.936,1190 2.028,1191 2.121,1192 1.135,1193 2.096,1194 1.863,1195 1.851,1196 1.877,1197 1.936,1198 1.038,1199 1.94,1200 1.458,1201 1.398,1202 1.609,1203 1.677,1204 0.738,1205 1.667,1206 1.144,1207 1.07,1208 1.38,1209 1.398,1210 0.334,1211 1.403,1212 0.997,1213 0.896,1214 1.272,1215 1.383,1216 0.105,1217 1.364,1218 0.849,1219 0.827,1220 1,1221 0.966,1222 0.027,1223 1.004,1224 0.773,1225 0.743,1226 0.935,1227 0.962,1229 0.971,1230 0.554,1231 0.439,1232 0.865,1233 0.892,1235 0.903,1236 3.932,1238 5.273,1240 6.806,1242 8.434,1244 10.112,1247 18.154,1250 11.388,1252 0.39,1253 3.129,1262 24.718,1263 61.352,1264 125.099,1265 146.219,1266 158.974,1267 158.974,1268 158.974,1269 36.654,1270 7.009,1271 102.74,1272 102.74,1273 18,1274 12.334,1275 4.17,1276 3.248,1277 37.003,1278 82,1279 71,1280 0.225,1281 165.228,1282 271.49,1283 394.917,1284 9883,1285 8.8,1286 16.56,1287 0.72,1288 0.605,1289 18.06,1290 13.915,1291 10.936,1292 0.437,1293 0.306,1294 6.514,1295 9.72,1296 6.296,1297 5.167,1298 11.802,1299 7.642,1300 10.429,1301 0.29,1302 0.166,1303 11.579,1304 5.986,1305 8.285,1306 0.18,1307 0.085,1308 9.185,1309 3.912,1310 7.307,1311 0.122,1312 0.051,1313 8.742,1314 3.035,1315 5.237,1316 0.073,1317 0.022,1318 5.683,1319 1.614,1320 0.354,1321 77.396,1322 0.249,1323 22.556,1324 0.615,1325 122,1326 390.503,1327 178.716,1328 476.871,1329 622.29,1330 440,1331 143,1332 395.419,1333 187.098,1334 430.857,1335 631.21,1336 405,1337 6.244}
{0 CHEMBL521672,1 1.567,2 10.077,3 3.017,4 9.101,5 105.176,6 7.214,7 0.607,8 3.989,9 4.121,10 3.521,11 3.454,12 5.135,13 3.449,14 4.489,15 4.678,16 3.854,17 3.807,18 5.576,19 3.787,20 4.643,21 4.828,22 3.959,23 3.98,24 5.686,25 3.945,26 4.791,27 4.987,28 3.919,29 4.071,30 5.815,31 3.983,32 4.93,33 5.182,34 3.846,35 4.098,36 5.844,37 3.965,38 4.897,39 5.161,40 3.799,41 4.02,42 5.755,43 3.901,44 4.834,45 5.072,46 3.727,47 3.932,48 5.798,49 3.839,50 4.742,51 4.994,52 3.549,53 3.844,54 5.671,55 3.712,56 0.047,57 0.735,58 10.683,59 4.013,60 12.078,61 5.592,62 0.313,63 1.096,64 19.575,65 6.617,66 30.302,67 9.167,68 0.217,69 1.309,70 22.242,71 7.428,72 22.591,73 10.748,74 0.301,75 1.446,76 26.08,77 9.539,78 35.176,79 13.567,80 0.485,81 1.527,82 31.771,83 11.128,84 45.28,85 16.432,86 0.287,87 1.412,88 31.227,89 10.496,90 36.169,91 15.628,92 0.517,93 1.3,94 29.792,95 8.95,96 49.129,97 12.81,98 0.317,99 1.204,100 26.716,101 8.615,102 38.83,103 12.764,104 35,105 39,106 0.266,107 0.616,108 0.766,109 0.841,110 0.855,111 0.875,112 3.304,113 0.893,114 -3.94,115 -3.9,116 -3.7,119 38.8,120 1,124 2,125 2,139 6,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 11,172 3,173 3,175 1,178 4,180 1,182 10,187 1,189 4,191 1,192 1,193 2,195 1,196 1,197 1,198 3,200 2,201 5,204 3,205 1,206 4,207 2,209 1,210 1,212 3,215 7,218 3,221 3,229 5,234 9,236 1,237 1,239 2,241 5,243 2,246 4,251 1,254 2,256 1,259 2,260 2,262 1,263 1,265 3,270 3,273 1000,274 17.643,275 17.643,276 17.643,277 17.643,278 17.643,279 15.607,280 25.274,281 10.173,282 18.309,283 13.613,284 13.613,285 13.613,286 13.613,287 13.613,288 10.417,289 33.882,290 4.565,291 14.471,292 4.048,293 1.982,294 1.097,295 0.658,296 0.577,297 0.454,298 3.984,300 1,301 1,302 1,303 551,304 3.317,307 224.938,311 116.189,314 1.467,315 20.237,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 56.5,327 262,328 4.551,329 3.29,330 6.527,331 4.076,332 3.11,333 4.495,334 0.916,335 10.274,336 3.006,337 4.282,338 3.125,339 6.248,340 3.901,341 2.939,342 3.916,343 0.86,344 9.433,345 2.827,346 3.932,347 2.908,348 6.002,349 3.604,350 2.666,351 3.34,352 0.86,353 8.558,354 2.497,355 3.548,356 2.675,357 5.221,358 3.159,359 2.235,360 2.866,361 0.172,362 6.492,363 2.056,364 3.466,365 2.247,366 5.065,367 3.031,368 2.111,369 2.811,371 5.943,372 1.936,373 3.42,374 2.087,375 5.017,376 2.94,377 1.995,378 2.781,380 5.794,381 1.883,382 2.95,383 1.96,384 4.529,385 2.588,386 1.627,387 2.091,389 4.554,390 1.557,391 2.617,392 1.504,393 4.15,394 2.289,395 1.322,396 1.645,398 3.464,399 1.274,400 2.439,401 1.237,402 3.707,403 1.977,404 1.004,405 1.415,407 2.565,408 0.975,409 1.94,410 1.057,411 3.091,412 1.655,413 0.776,414 0.876,415 1.368,416 0.674,417 1.507,418 0.916,419 2.857,420 1.329,421 0.398,422 0.432,423 0.607,424 0.364,425 1.445,426 0.531,427 2.774,428 1.179,429 0.292,430 0.316,431 0.41,432 0.26,433 1.306,434 0.211,435 2.598,436 0.956,437 0.021,438 0.027,439 0.051,440 0.02,441 0.976,442 -0.024,443 2.55,444 0.579,445 -0.362,446 -0.426,448 -0.673,449 -0.336,450 0.844,451 -0.293,452 2.454,453 0.471,454 -0.456,455 -0.582,457 -1.156,458 -0.42,459 12.167,460 0.468,461 0.622,462 0.024,463 35.75,464 1.375,465 18.5,466 0.712,467 17.25,468 0.663,469 19.998,470 0.769,471 28.633,472 0.584,473 27.069,474 1.041,475 7.277,476 0.28,477 5.273,478 0.203,479 0.189,481 0.362,485 1.024,486 1.399,487 0.847,488 1.153,489 1.201,490 0.988,491 1.206,492 0.881,493 0.811,494 0.79,495 0.688,496 0.756,497 1.158,498 1.181,499 0.977,500 1.015,501 0.872,502 0.964,503 0.902,504 1.253,505 1.131,506 1.291,507 0.851,508 1.264,509 0.569,510 0.975,511 0.993,512 1.112,513 0.824,514 1.122,515 0.817,516 1.001,517 0.893,518 1.043,519 0.717,520 0.989,521 1.628,522 0.852,523 1.212,524 0.918,525 1.264,526 0.998,527 1.112,528 1.082,529 1.153,530 1.146,531 1.11,532 1.159,533 6,534 0.136,535 3.111,536 1.75,537 1.911,538 1.042,539 0.589,540 0.429,541 0.287,542 0.217,543 7252,544 19782,545 2.014,546 46.9,548 16,551 4,553 3,555 1.694,556 1.857,557 3.297,558 1.735,559 1,560 1,564 76.759,565 1.567,566 3.633,567 4.517,568 4.956,569 5.038,570 5.16,571 2.719,572 4.393,573 4.674,574 3.436,575 1116.76,576 8.116,577 13763.9,579 1,581 1,582 275.121,583 1.502,584 4.615,585 0.214,586 0.009,587 0.08,588 0.041,589 0.049,590 0.03,591 0.017,592 0.014,593 0.011,594 0.01,595 0.475,596 0.17,597 1,598 0.998,599 126.17,600 -0.096,601 -0.151,602 0.041,603 -0.062,604 -0.213,605 0.008,606 -0.016,607 0.221,608 0.156,609 0.227,610 0.192,611 0.212,612 -0.173,613 -0.036,614 -0.044,615 0.013,616 -0.056,617 0.012,618 -0.023,619 -0.172,620 -0.209,621 -0.24,622 -0.019,623 -0.261,624 0.175,625 0.003,626 -0.047,627 -0.096,628 -0.005,629 -0.108,631 -0.074,632 0.074,633 -0.036,634 0.036,635 0.026,636 -0.281,637 0.099,638 -0.194,639 0.044,640 -0.203,641 -0.047,642 -0.145,643 -0.135,644 -0.177,645 -0.156,646 -0.176,647 -0.17,648 1.49,649 2.017,650 0.615,651 21.231,652 1.002,653 1.136,654 2.715,655 7.369,656 0.649,657 3.367,658 3.689,659 3.97,660 4.22,661 4.466,662 4.543,663 4.585,664 4.615,665 4.71,666 4.7,667 5.961,668 0.618,669 353.47,670 3.367,671 4.905,672 5.759,673 6.64,674 7.512,675 8.397,676 9.274,677 10.161,678 11.041,679 11.928,680 10.2,684 2,686 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,714 1,716 2,718 49,719 17,720 2,721 28,723 51,724 19,725 14,726 6,727 6,729 3,730 4,734 1,741 14,742 5,753 1,754 1,757 23,758 7,759 4,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 2,818 2,821 1,829 4.1,834 2,836 14,837 9.6,838 5.944,839 2.735,840 3.334,841 1.463,842 0.976,843 5.566,844 10.528,845 3.624,846 4.263,847 4.881,848 5.48,849 6.075,850 6.351,851 6.665,852 6.999,853 7.389,854 7.481,855 0.857,856 43,857 9.524,859 3.888,860 7.705,861 18.125,863 14.241,865 2.205,866 57.333,869 1,870 223.651,871 117.034,872 102.49,874 22,877 117.034,878 245.651,879 102.49,880 30.591,881 4.211,882 122.652,883 33.571,884 46.27,885 4.227,886 223.651,888 223.651,889 219.523,890 22,893 188.338,894 57.313,897 17.08,898 168.872,899 33.571,901 223.651,902 124.49,903 117.034,906 223.651,907 29.585,908 90.573,910 121.365,911 223.651,912 124.49,913 117.034,915 0.575,916 0.353,917 0.192,918 0.107,919 18,920 9,921 0.118,922 6,923 1,924 1.125,925 3.654,926 217.827,927 0.125,928 16,929 122.211,933 18.39,934 7.87,935 3.906,936 1.515,937 124.49,938 11.684,939 8.28,943 4.227,945 65.794,946 465.174,947 36.5,956 49.116,957 55.647,958 0.279,959 0.647,960 0.805,961 0.883,962 0.897,963 0.919,964 4.854,965 1.322,966 5.753,967 4.554,968 4.369,969 4.949,970 1.698,971 6.572,972 4.262,973 6.076,974 1.004,975 7.322,976 3.464,977 4.007,978 4.856,979 0.325,980 7.486,981 3.85,982 7.398,983 0.776,984 8.986,985 2.565,986 5.979,987 7.221,988 1.422,989 10.557,990 5.784,991 8.755,992 0.398,993 10.703,994 1.368,995 6.399,996 7.916,997 0.393,998 12.244,999 6.156,1000 10.14,1001 0.292,1002 12.453,1003 0.607,1004 7.851,1005 9.782,1006 1.2,1007 14.838,1008 7.583,1009 11.546,1010 0.021,1011 14.225,1012 0.41,1013 8.633,1014 10.863,1015 0.384,1016 16.86,1017 8.322,1018 12.967,1019 -0.362,1020 16.014,1021 0.051,1022 9.878,1023 12.518,1024 1.01,1025 19.276,1026 9.544,1027 3.11,1028 -0.456,1029 17.815,1030 -0.673,1031 10.833,1032 13.8,1033 0.351,1034 21.449,1035 10.46,1036 2.939,1037 10.274,1038 19.626,1039 -1.156,1040 11.994,1041 15.359,1042 0.845,1043 23.795,1044 11.595,1045 2.666,1046 9.433,1047 21.445,1048 4.495,1049 13.031,1050 16.745,1051 0.312,1052 26.037,1053 12.596,1054 2.235,1055 8.558,1056 23.27,1057 3.916,1058 14.158,1059 18.263,1060 0.702,1061 28.357,1062 13.696,1063 2.111,1064 6.492,1065 25.1,1066 3.34,1067 15.235,1068 19.702,1069 0.273,1070 30.632,1071 14.738,1072 1.995,1073 5.943,1074 26.935,1075 2.866,1076 16.351,1077 21.204,1078 0.579,1079 32.943,1080 15.825,1081 1.627,1082 5.794,1083 28.774,1084 2.811,1085 17.447,1086 22.67,1087 0.236,1088 35.236,1089 16.887,1090 7186,1091 11988,1092 18.205,1093 31.79,1094 40.91,1095 41.825,1096 43.544,1097 40.944,1098 40.994,1099 54.02,1100 5.618,1101 119.022,1102 38.658,1103 5.397,1104 5.29,1105 6.096,1106 5.148,1107 5.11,1108 7.495,1109 1.776,1110 17.168,1111 5.006,1112 14.7,1113 1.461,1114 1.494,1115 1.555,1116 1.462,1117 1.464,1118 1.929,1119 0.201,1120 4.251,1121 1.381,1122 4.079,1123 4.115,1124 4.047,1125 3.982,1126 5.308,1127 3.993,1128 3.927,1129 3.947,1130 3.88,1131 3.842,1132 4.982,1133 3.847,1134 3.609,1135 3.681,1136 3.522,1137 3.408,1138 4.915,1139 3.424,1140 3.375,1141 3.454,1142 3.243,1143 3.185,1144 4.698,1145 3.19,1146 3.324,1147 3.372,1148 3.172,1149 3.044,1150 4.602,1151 3.062,1152 3.175,1153 3.26,1154 3.021,1155 2.949,1156 4.275,1157 2.941,1158 3.131,1159 3.236,1160 2.945,1161 2.895,1162 4.134,1163 2.91,1164 3.079,1165 3.169,1166 2.86,1167 2.859,1168 4.013,1169 2.845,1170 0.163,1171 0.118,1172 0.233,1173 0.146,1174 0.111,1175 4.551,1176 0.161,1177 3.29,1178 0.033,1179 6.527,1180 0.367,1181 4.076,1182 0.107,1183 3.11,1184 4.495,1185 0.916,1186 10.274,1187 3.006,1188 2.016,1189 1.988,1190 2.085,1191 2.134,1192 1.249,1193 2.12,1194 1.893,1195 1.875,1196 1.987,1197 2.006,1198 1.127,1199 1.999,1200 1.562,1201 1.49,1202 1.818,1203 1.792,1204 0.974,1205 1.799,1206 1.334,1207 1.262,1208 1.594,1209 1.571,1210 0.648,1211 1.577,1212 1.244,1213 1.186,1214 1.554,1215 1.568,1216 0.583,1217 1.569,1218 1.157,1219 1.073,1220 1.513,1221 1.454,1222 0.547,1223 1.488,1224 1.097,1225 1.012,1226 1.406,1227 1.386,1228 0.397,1229 1.371,1230 1.046,1231 0.967,1232 1.294,1233 1.324,1234 0.219,1235 1.36,1236 4.043,1238 5.361,1240 6.889,1242 8.512,1244 10.184,1246 5.417,1250 11.689,1252 1.472,1254 10.833,1257 2.215,1262 30.278,1263 76.759,1264 177.996,1265 221.346,1266 242.856,1267 246.856,1268 252.856,1269 37.685,1270 7.194,1271 99.52,1272 99.52,1273 18,1274 12.46,1275 4.17,1276 3.248,1277 44.2,1278 92,1279 90,1280 0.235,1281 189.39,1282 318.94,1283 453.87,1284 12034,1286 18.681,1287 0.719,1288 0.584,1289 18.681,1290 15.191,1291 12.55,1292 0.448,1293 0.298,1294 8.178,1295 11.931,1296 7.891,1297 6.626,1298 12.55,1299 8.339,1300 10.971,1301 0.281,1302 0.15,1303 10.971,1304 5.86,1305 9.446,1306 0.182,1307 0.083,1308 9.446,1309 4.322,1310 7.845,1311 0.117,1312 0.044,1313 7.845,1314 2.952,1315 6.251,1316 0.073,1317 0.023,1318 6.251,1319 1.976,1320 0.363,1321 79.497,1322 0.234,1323 24.808,1324 0.66,1325 134,1326 395.031,1327 148.555,1328 380.536,1329 527.24,1330 358,1331 158,1332 395.232,1333 172.141,1334 403.407,1335 585.85,1336 376,1337 8.319}
{0 CHEMBL522543,1 1.703,2 9.48,3 5.043,4 25.43,5 106.664,6 9.676,7 0.63,8 3.827,9 3.947,10 3.604,11 3.429,12 5.007,13 3.403,14 4.312,15 4.474,16 4.038,17 3.828,18 5.495,19 3.778,20 4.555,21 4.727,22 4.261,23 4.01,24 5.705,25 3.932,26 4.623,27 4.809,28 4.185,29 4.007,30 5.76,31 3.896,32 4.685,33 4.911,34 4.048,35 3.974,36 5.731,37 3.835,38 4.619,39 4.854,40 3.944,41 3.938,42 5.583,43 3.795,44 4.574,45 4.792,46 3.951,47 3.884,48 5.68,49 3.731,50 4.377,51 4.594,52 3.728,53 3.649,54 5.501,55 3.496,56 0.094,57 0.615,58 5.172,59 3.039,60 12.278,61 3.713,62 0.238,63 0.945,64 12.007,65 5.607,66 21.493,67 7.124,68 0.383,69 1.112,70 24.321,71 7.354,72 33.484,73 8.829,74 0.424,75 1.155,76 27.089,77 8.534,78 42.687,79 10.691,80 0.556,81 1.183,82 33.413,83 9.548,84 50.631,85 12.309,86 0.332,87 1.083,88 25.927,89 9.329,90 37.33,91 12.285,92 0.48,93 0.958,94 32.935,95 8.804,96 50.945,97 10.781,98 0.452,99 0.755,100 31.795,101 7.22,102 47.252,103 8.533,104 38,105 39,106 0.299,107 0.666,108 0.8,109 0.887,110 0.887,111 0.887,112 3.267,113 0.97,114 -5.7,115 -5.57,116 -5.19,119 41.5,120 1,125 2,139 5,140 2,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 7,172 3,173 3,175 1,178 7,180 1,182 6,187 1,189 8,191 1,193 2,195 1,196 1,197 1,198 3,200 2,201 7,204 3,205 1,206 2,207 4,209 1,210 1,212 3,215 8,218 3,229 5,234 4,236 1,237 1,239 2,241 11,243 2,246 2,251 1,254 6,256 1,260 2,265 3,270 3,273 870,274 16.403,275 16.403,276 16.403,277 16.403,278 16.403,279 14.209,280 20.556,281 9.34,282 17.063,283 13.222,284 13.222,285 13.222,286 13.222,287 13.222,288 9.957,289 26.56,290 4.343,291 14.451,292 3.655,293 1.57,294 0.808,295 0.311,296 0.311,297 0.311,298 3.942,299 3,301 1,302 1,303 499,304 3.082,307 214.024,311 110.817,314 1.501,315 24.457,318 0.75,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.84,326 53.5,327 237,328 4.552,329 3.485,330 6.529,331 4.077,332 3.114,333 4.495,334 0.916,335 10.277,336 3.004,337 4.382,338 3.19,339 6.393,340 3.93,341 3.012,342 4.068,343 0.172,344 9.702,345 2.734,346 3.945,347 2.965,348 6.06,349 3.62,350 2.697,351 3.344,353 8.706,354 2.469,355 3.494,356 2.779,357 5.08,358 3.055,359 2.137,360 2.82,362 6.018,363 1.95,364 3.437,365 2.441,366 5.06,367 2.95,368 2.083,369 2.811,371 5.802,372 1.885,373 3.421,374 2.223,375 5.001,376 2.921,377 2.001,378 2.752,380 5.784,381 1.742,382 3.269,383 2.071,384 4.971,385 2.826,386 1.914,387 2.528,389 5.656,390 1.566,391 2.668,392 1.752,393 4.312,394 2.358,395 1.408,396 1.701,398 3.836,399 1.326,400 2.441,401 1.445,402 3.708,403 1.977,404 1.004,405 1.417,407 2.565,408 0.975,409 1.703,410 1.057,411 3.231,412 1.42,413 0.59,414 0.631,415 1.287,416 0.427,417 1.448,418 0.49,419 2.787,420 1.099,421 0.249,422 0.277,423 0.422,424 0.188,425 1.278,426 0.269,427 2.717,428 0.878,429 -0.013,430 -0.017,431 -0.033,432 -0.011,433 0.981,434 0.163,435 2.598,436 0.545,437 -0.376,438 -0.472,439 -0.955,440 -0.278,441 0.909,442 -0.129,443 2.491,444 0.469,445 -0.454,446 -0.581,448 -1.163,449 -0.381,450 0.6,451 -0.298,452 2.44,453 0.16,454 -0.629,455 -0.705,457 -1.449,458 -0.431,459 12.643,460 0.506,461 0.788,462 0.032,463 34,464 1.36,465 17.5,466 0.7,467 16.5,468 0.66,469 21.584,470 0.863,471 26.357,472 0.643,473 23.883,474 0.955,475 6.54,476 0.262,477 5.344,478 0.214,479 0.272,481 0.388,485 0.818,486 1.244,487 0.524,488 0.726,489 0.975,490 0.741,491 0.654,492 0.957,493 0.545,494 0.683,495 0.432,496 0.719,497 1.06,498 1.106,499 0.83,500 0.843,501 0.846,502 0.879,503 0.797,504 1.18,505 0.858,506 1.116,507 0.768,508 1.145,509 0.685,510 0.895,511 0.82,512 1.045,513 0.886,514 1.102,515 0.71,516 0.991,517 0.712,518 0.904,519 0.744,520 0.971,521 1.311,522 0.877,523 1.32,524 1.077,525 1.234,526 1.098,527 1.652,528 0.927,529 1.629,530 1.186,531 1.585,532 1.14,533 6.5,534 0.107,535 3.333,536 2.188,537 1.942,538 0.917,539 0.629,540 0.429,541 0.287,542 0.247,543 6507,544 23985,545 1.992,546 39,548 9,551 4,553 3,555 1.682,556 1.807,557 3.22,558 1.815,564 69.808,565 1.703,566 3.787,567 4.55,568 5.046,569 5.046,570 5.046,571 2.709,572 4.484,573 4.619,574 3.381,575 1014.33,576 7.998,577 12077.3,579 1,582 219.66,583 1.554,584 4.541,585 0.241,586 0.008,587 0.085,588 0.052,589 0.052,590 0.029,591 0.02,592 0.015,593 0.013,594 0.013,595 0.529,597 0.88,598 0.866,599 119.425,600 -0.143,601 -0.042,602 -0.011,603 0.063,604 -0.24,605 0.058,606 0.1,607 0.164,608 0.099,609 0.171,610 0.222,611 0.153,612 -0.128,613 -0.04,614 0.029,615 0.067,616 -0.035,617 0.02,618 0.061,619 -0.172,620 -0.009,621 -0.18,622 0.066,623 -0.199,624 0.14,625 0.063,626 0.02,627 -0.08,628 -0.036,629 -0.1,630 0.015,631 -0.071,632 0.089,633 0.082,634 -0.005,635 0.07,636 -0.235,637 0.04,638 -0.181,639 -0.043,640 -0.177,641 -0.081,642 -0.396,643 -0.025,644 -0.317,645 -0.124,646 -0.369,647 -0.126,648 1.509,649 2.209,650 0.64,651 19.312,652 1.016,653 1.128,654 4.473,655 20.009,656 0.73,657 3.332,658 3.689,659 3.951,660 4.205,661 4.431,662 4.489,663 4.511,664 4.585,665 4.691,666 4.644,667 5.758,668 0.69,669 396.73,670 3.332,671 4.89,672 5.746,673 6.637,674 7.509,675 8.402,676 9.279,677 10.171,678 11.051,679 11.943,680 12.2,684 2,686 1,690 2,694 2,695 5,696 2,700 7,702 17,711 2,714 1,717 3,718 41,719 17,720 2,721 27,723 43,724 17,725 14,726 7,727 5,729 3,730 4,731 3,734 1,741 14,742 3,757 16,758 5,759 4,760 8,761 3,764 5,769 0.667,776 1,781 3,785 1,802 2,806 1,807 3,810 25,811 2,816 2,821 1,828 3,836 13.833,837 7.612,838 5.472,839 2.377,840 3.299,841 1.464,842 1.003,843 5.437,844 10.411,845 3.597,846 4.277,847 4.881,848 5.483,849 6.064,850 6.335,851 6.624,852 6.991,853 7.389,854 7.473,855 1,856 42,857 9.147,859 3.858,860 7.833,861 17.188,863 13.904,865 2.333,866 58.333,869 1,870 141.253,871 85.806,872 102.49,873 117.446,877 85.806,878 258.699,879 102.49,880 8.825,881 4.211,882 113.176,883 33.571,884 24.286,885 4.227,886 141.253,887 117.446,888 141.253,889 188.296,891 117.446,893 105.94,894 35.313,897 17.08,898 137.645,899 151.017,901 141.253,902 102.49,903 203.252,906 141.253,907 29.6,908 59.331,910 216.811,911 141.253,912 102.49,913 203.252,915 0.593,916 0.353,917 0.189,918 0.103,919 19,920 10,921 0.093,922 4,923 1,924 1.125,925 3.537,926 208.425,927 0.125,928 16,929 116.096,933 18.327,934 7.416,935 3.872,936 1.453,937 102.49,938 9.209,939 8.215,943 3.805,945 65.794,946 446.995,947 35.5,956 41.665,957 46.23,958 0.318,959 0.707,960 0.849,961 0.942,962 0.942,963 0.942,964 4.846,965 1.408,966 5.765,967 5.656,968 4.369,969 4.963,970 0.918,971 6.6,972 4.201,973 6.094,974 1.004,975 7.349,976 3.836,977 4.111,978 4.956,979 0.325,980 7.522,981 3.798,982 7.43,983 0.59,984 9.026,985 2.565,986 5.999,987 7.259,988 0.671,989 10.61,990 5.709,991 8.797,992 0.249,993 10.754,994 1.287,995 6.479,996 8.001,997 0.393,998 12.289,999 6.06,1000 10.19,1001 -0.013,1002 12.513,1003 0.422,1004 7.895,1005 9.839,1006 0.533,1007 14.911,1008 7.492,1009 11.603,1010 -0.376,1011 14.294,1012 -0.033,1013 8.715,1014 10.948,1015 0.384,1016 16.927,1017 8.212,1018 13.03,1019 -0.454,1020 16.09,1021 -0.955,1022 9.947,1023 12.589,1024 0.438,1025 19.366,1026 9.439,1027 3.114,1028 -0.629,1029 17.899,1030 -1.163,1031 10.927,1032 13.888,1033 0.351,1034 21.536,1035 10.342,1036 3.012,1037 10.277,1038 19.718,1039 -1.449,1040 12.086,1041 15.441,1042 0.366,1043 23.898,1044 11.48,1045 2.697,1046 9.702,1047 21.545,1048 4.495,1049 13.14,1050 16.834,1051 0.312,1052 26.139,1053 12.473,1054 2.137,1055 8.706,1056 23.377,1057 4.068,1058 14.271,1059 18.348,1060 0.309,1061 28.469,1062 13.573,1063 2.083,1064 6.018,1065 25.216,1066 3.344,1067 15.359,1068 19.789,1069 0.273,1070 30.744,1071 14.61,1072 2.001,1073 5.802,1074 27.058,1075 2.82,1076 16.48,1077 21.287,1078 0.262,1079 33.061,1080 15.697,1081 1.914,1082 5.784,1083 28.904,1084 2.811,1085 17.584,1086 22.752,1087 0.236,1088 35.354,1089 16.757,1090 6437,1091 12502,1092 17.224,1093 29.932,1094 40.593,1095 41.802,1096 42.912,1097 40.666,1098 40.414,1099 53.686,1100 2.178,1101 120.109,1102 36.53,1103 5.39,1104 5.485,1105 6.051,1106 5.148,1107 5.114,1108 7.495,1109 1.605,1110 17.22,1111 5.004,1112 15.444,1113 1.503,1114 1.548,1115 1.589,1116 1.506,1117 1.497,1118 1.988,1119 0.081,1120 4.448,1121 1.353,1122 4.078,1123 4.114,1124 4.179,1125 3.986,1126 5.308,1127 3.994,1128 3.921,1129 3.935,1130 4.032,1131 3.882,1132 5.08,1133 3.872,1134 3.606,1135 3.677,1136 3.663,1137 3.413,1138 4.982,1139 3.427,1140 3.375,1141 3.454,1142 3.557,1143 3.185,1144 4.7,1145 3.191,1146 3.137,1147 3.237,1148 3.398,1149 3,1150 4.693,1151 2.976,1152 3.122,1153 3.202,1154 3.236,1155 2.9,1156 4.485,1157 2.915,1158 2.923,1159 2.914,1160 3.021,1161 2.89,1162 4.267,1163 2.854,1164 2.811,1165 2.891,1166 2.971,1167 2.612,1168 4.025,1169 2.621,1170 0.169,1171 0.129,1172 0.242,1173 0.151,1174 0.115,1175 4.552,1176 0.166,1177 3.485,1178 0.034,1179 6.529,1180 0.381,1181 4.077,1182 0.111,1183 3.114,1184 4.495,1185 0.916,1186 10.277,1187 3.004,1188 2.016,1189 1.988,1190 2.081,1191 2.133,1192 1.248,1193 2.119,1194 1.887,1195 1.876,1196 1.929,1197 1.955,1198 1.123,1199 1.964,1200 1.56,1201 1.488,1202 1.801,1203 1.771,1204 0.971,1205 1.785,1206 1.334,1207 1.262,1208 1.517,1209 1.571,1210 0.622,1211 1.573,1212 1.132,1213 1.067,1214 1.386,1215 1.386,1216 0.396,1217 1.371,1218 1.047,1219 0.969,1220 1.294,1221 1.332,1222 0.215,1223 1.365,1224 0.829,1225 0.83,1226 1.081,1227 1.017,1228 0.106,1229 1.043,1230 0.777,1231 0.694,1232 1,1233 0.96,1234 0.04,1235 0.98,1236 4.007,1238 5.352,1240 6.893,1242 8.527,1244 10.21,1246 2.049,1247 18.548,1250 11.622,1252 1.304,1257 2.128,1262 28.277,1263 69.808,1264 155.279,1265 186.54,1266 206.905,1267 206.905,1268 206.905,1269 42.221,1270 7.112,1271 81.06,1272 81.06,1273 18,1274 12.473,1275 4.17,1276 3.248,1277 41.683,1278 86,1279 83,1280 0.239,1281 187.211,1282 312.39,1283 448.555,1284 10741,1285 7.3,1286 18.137,1287 0.725,1288 0.628,1289 19.637,1290 15.699,1291 11.884,1292 0.44,1293 0.323,1294 7.61,1295 10.716,1296 7.307,1297 6.035,1298 12.75,1299 8.732,1300 11.128,1301 0.285,1302 0.173,1303 12.24,1304 6.765,1305 9.216,1306 0.181,1307 0.097,1308 10.436,1309 4.962,1310 7.676,1311 0.116,1312 0.051,1313 8.614,1314 3.375,1315 5.987,1316 0.072,1317 0.027,1318 6.764,1319 2.237,1320 0.369,1321 82.801,1322 0.241,1323 23.936,1324 0.674,1325 132,1326 386.17,1327 187.356,1328 474.329,1329 621.33,1330 438,1331 156,1332 395.729,1333 203.433,1334 433.354,1335 635.86,1336 407,1337 7.721}
{0 CHEMBL522678,1 1.383,2 10.692,3 3.958,4 15.666,5 108.7,6 7.308,7 0.759,8 3.948,9 4.084,10 3.506,11 3.528,12 5.068,13 3.499,14 4.436,15 4.614,16 3.868,17 3.919,18 5.516,19 3.867,20 4.68,21 4.885,22 3.932,23 4.074,24 5.667,25 3.999,26 4.762,27 4.986,28 3.837,29 4.081,30 5.736,31 3.964,32 4.809,33 5.069,34 3.715,35 4.039,36 5.699,37 3.894,38 4.736,39 5.002,40 3.611,41 3.954,42 5.563,43 3.804,44 4.668,45 4.94,46 3.568,47 3.873,48 5.55,49 3.738,50 4.534,51 4.791,52 3.489,53 3.777,54 5.467,55 3.651,56 0.056,57 0.724,58 9.693,59 3.871,60 11.013,61 5.354,62 0.193,63 1.148,64 16.898,65 6.751,66 21.963,67 9.415,68 0.168,69 1.404,70 22.458,71 8.315,72 21.674,73 11.887,74 0.194,75 1.47,76 24.921,77 9.772,78 32.001,79 13.958,80 0.268,81 1.474,82 27.549,83 10.448,84 36.412,85 15.116,86 0.166,87 1.343,88 25.726,89 9.858,90 27.668,91 14.355,92 0.238,93 1.273,94 24.365,95 8.601,96 31.854,97 12.622,98 0.176,99 1.127,100 20.839,101 7.451,102 27.629,103 10.885,104 11,105 41,106 0.233,107 0.568,108 0.726,109 0.852,110 0.869,111 0.884,112 3.304,113 0.899,114 -5.51,115 -5.38,116 -5.03,119 44.7,120 1,125 2,139 10,140 4,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 13,169 1,170 7,172 3,173 3,175 1,178 16,180 1,182 7,187 1,189 14,191 1,193 3,195 1,196 1,197 1,198 3,200 2,201 11,204 3,205 1,206 2,207 3,209 1,210 1,212 3,215 12,218 3,221 2,229 10,234 5,236 1,237 1,239 2,241 10,243 2,246 4,251 2,254 10,256 2,260 4,265 4,268 7,270 4,273 992,274 17.765,275 17.765,276 17.765,277 17.765,278 17.765,279 15.186,280 18.133,281 10.365,282 18.08,283 14.275,284 14.275,285 14.275,286 14.275,287 14.275,288 10.417,289 24.996,290 4.861,291 14.766,292 4.172,293 2.188,294 1.25,295 0.5,296 0.399,297 0.314,298 4.004,300 1,301 1,302 1,303 613,304 3,307 265.027,311 225.025,314 1.639,315 15.202,317 1,318 0.75,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.84,326 54.5,327 278,328 4.551,329 3.231,330 6.526,331 4.073,332 3.107,333 4.495,334 0.916,335 10.267,336 3.006,337 4.408,338 3.037,339 6.196,340 3.93,341 2.936,342 4.336,343 0.172,344 9.279,345 2.923,346 3.976,347 2.876,348 6.09,349 3.676,350 2.733,351 3.364,353 8.862,354 2.573,355 3.623,356 2.401,357 5.245,358 3.216,359 2.235,360 3.046,362 6.623,363 2.196,364 3.446,365 2.206,366 5.064,367 3.008,368 2.076,369 2.811,371 5.904,372 1.923,373 3.416,374 2.064,375 5.01,376 2.935,377 1.988,378 2.771,380 5.793,381 1.88,382 3.118,383 1.618,384 4.424,385 2.618,386 1.618,387 2.427,389 4.38,390 1.618,391 2.905,392 1.556,393 4.278,394 2.44,395 1.457,396 2.096,398 3.822,399 1.433,400 2.665,401 1.405,402 3.708,403 2.337,404 1.359,405 1.699,407 2.988,408 1.324,409 2.441,410 1.057,411 3.615,412 1.977,413 1.004,414 1.417,415 2.565,416 0.975,417 2.182,418 0.76,419 3.182,420 1.708,421 0.71,422 1.033,423 1.62,424 0.708,425 1.478,426 0.486,427 2.9,428 1.325,429 0.353,430 0.383,431 0.571,432 0.342,433 1.384,434 0.177,435 2.774,436 0.984,437 0.035,438 0.046,439 0.092,440 0.034,441 1.019,442 -0.189,443 2.598,444 0.652,445 -0.326,446 -0.414,448 -0.729,449 -0.317,450 0.952,451 -0.302,452 2.457,453 0.475,454 -0.453,455 -0.583,457 -1.161,458 -0.419,459 12.5,460 0.481,461 0.623,462 0.024,463 38.25,464 1.471,465 21.5,466 0.827,467 16.75,468 0.644,469 18.297,470 0.704,471 26.5,472 0.564,473 27.003,474 1.039,475 7.498,476 0.288,477 5.137,478 0.198,479 0.104,481 0.352,485 1.127,486 1.149,487 0.837,488 0.912,489 1.289,490 0.856,491 0.71,492 0.929,493 0.812,494 0.908,495 0.432,496 0.878,497 1.176,498 1.071,499 0.995,500 0.978,501 0.808,502 0.969,503 0.816,504 1.141,505 1.087,506 1.203,507 0.726,508 1.18,509 0.775,510 0.917,511 1.041,512 1.06,513 0.947,514 1.076,515 0.774,516 1.026,517 0.986,518 1.076,519 0.821,520 1.058,521 1.07,522 0.844,523 1.012,524 0.903,525 0.991,526 0.943,527 1.129,528 0.946,529 1.051,530 0.969,531 1.022,532 0.996,533 5.5,534 0.136,535 2.889,536 1.625,537 1.813,538 0.722,539 0.525,540 0.448,541 0.209,542 0.179,543 8273,544 19701,545 2.124,546 44.7,548 14,551 4,553 3,555 1.69,556 2,557 3.389,558 1.659,560 1,564 64.979,565 1.383,566 3.366,567 4.305,568 5.054,569 5.156,570 5.241,571 2.888,572 4.316,573 4.675,574 3.52,575 1143.91,576 8.094,577 14115.7,579 1,581 1,582 261.066,583 1.37,584 4.637,585 0.19,586 0.009,587 0.07,588 0.038,589 0.049,590 0.023,591 0.018,592 0.016,593 0.008,594 0.009,595 0.429,597 0.88,598 0.721,599 126.909,600 -0.123,601 -0.001,602 0.033,603 0.065,604 -0.265,605 0.066,606 0.286,607 0.161,608 0.098,609 0.072,610 0.292,611 0.066,612 -0.152,613 -0.018,614 -0.058,615 -0.007,616 -0.038,617 -0.019,618 0.051,619 -0.151,620 -0.144,621 -0.21,622 0.097,623 -0.2,624 0.099,625 0.027,626 -0.061,627 -0.065,628 -0.043,629 -0.077,630 0.006,631 -0.113,632 -0.005,633 -0.067,634 -0.064,635 -0.042,636 -0.068,637 0.11,638 -0.01,639 0.073,640 -0.059,641 0.044,642 -0.145,643 0.023,644 -0.065,645 0.008,646 -0.056,647 -0.015,648 1.466,649 2.033,650 0.769,651 21.562,652 0.991,653 1.124,654 4.279,655 18.306,656 0.683,657 3.401,658 3.738,659 4.025,660 4.304,661 4.564,662 4.605,663 4.718,664 4.844,665 4.92,666 4.844,667 6.206,668 0.645,669 343.47,670 3.401,671 4.949,672 5.808,673 6.693,674 7.567,675 8.454,676 9.332,677 10.22,678 11.101,679 11.989,680 10.6,684 2,686 1,690 2,694 4,695 10,696 2,700 4,702 22,711 2,714 1,718 47,719 22,720 3,721 29,723 50,724 21,725 18,726 6,727 10,729 4,730 6,734 1,741 18,742 3,754 1,757 21,758 5,759 4,760 5,764 5,769 0.5,776 1,781 4,785 2,802 2,806 1,810 26,811 2,816 2,821 1,836 13,837 8.6,838 5.694,839 2.818,840 4.43,841 1.584,842 1.043,843 4.353,844 12.016,845 3.714,846 4.394,847 5.048,848 5.692,849 6.32,850 6.614,851 7,852 7.398,853 7.781,854 7.76,855 1,856 43,857 9.547,859 4.032,860 7.59,861 18.47,863 15.253,865 2.09,866 54.333,869 1,870 200.109,871 127.831,872 102.49,877 127.831,878 200.109,879 102.49,880 8.825,881 4.211,882 160.557,883 33.571,884 18.93,885 4.227,886 200.109,888 200.109,889 230.321,893 164.795,894 35.313,897 17.08,898 179.67,899 33.571,901 200.109,902 102.49,903 127.831,906 200.109,907 24.244,908 106.712,910 99.365,911 200.109,912 102.49,913 127.831,915 0.583,916 0.348,917 0.194,918 0.108,919 21,920 9,921 0.08,922 4,923 2,924 1.2,925 3.804,926 223.729,927 0.2,928 20,929 120.211,933 16.615,934 6.811,935 3.316,936 4.106,937 102.49,938 21.058,939 8.321,943 2.975,945 65.794,946 430.43,947 40,956 46.578,957 52.813,958 0.249,959 0.606,960 0.775,961 0.91,962 0.928,963 0.943,964 4.938,965 1.457,966 5.796,967 4.38,968 4.419,969 5.081,970 0.918,971 6.611,972 4.356,973 6.17,974 1.359,975 7.356,976 3.822,977 4.007,978 4.956,979 0.325,980 7.486,981 3.9,982 7.492,983 1.004,984 9.011,985 2.988,986 6.019,987 7.398,988 0.671,989 10.579,990 5.898,991 8.85,992 0.71,993 10.722,994 2.565,995 6.399,996 8.087,997 0.393,998 12.252,999 6.238,1000 10.237,1001 0.353,1002 12.468,1003 1.62,1004 7.885,1005 10.002,1006 0.533,1007 14.852,1008 7.713,1009 11.646,1010 0.035,1011 14.237,1012 0.571,1013 8.643,1014 11.098,1015 0.384,1016 16.867,1017 8.437,1018 13.072,1019 -0.326,1020 16.024,1021 0.092,1022 9.908,1023 12.78,1024 0.438,1025 19.282,1026 9.688,1027 3.107,1028 -0.453,1029 17.824,1030 -0.729,1031 10.85,1032 14.081,1033 0.351,1034 21.451,1035 10.6,1036 2.936,1037 10.267,1038 19.634,1039 -1.161,1040 12.02,1041 15.656,1042 0.366,1043 23.794,1044 11.753,1045 2.733,1046 9.279,1047 21.452,1048 4.495,1049 13.05,1050 17.057,1051 0.312,1052 26.032,1053 12.755,1054 2.235,1055 8.862,1056 23.276,1057 4.336,1058 14.181,1059 18.584,1060 0.309,1061 28.348,1062 13.866,1063 2.076,1064 6.623,1065 25.106,1066 3.364,1067 15.252,1068 20.032,1069 0.273,1070 30.62,1071 14.911,1072 1.988,1073 5.904,1074 26.94,1075 3.046,1076 16.369,1077 21.538,1078 0.262,1079 32.927,1080 16.006,1081 1.618,1082 5.793,1083 28.777,1084 2.811,1085 17.461,1086 23.009,1087 0.236,1088 35.217,1089 17.072,1090 7770,1091 12123,1092 19.592,1093 32.12,1094 43.324,1095 43.343,1096 44.613,1097 43.26,1098 43.224,1099 59.85,1100 2.178,1101 125.531,1102 41.869,1103 5.382,1104 5.231,1105 6.213,1106 5.145,1107 5.107,1108 7.495,1109 1.605,1110 17.162,1111 5.006,1112 11.303,1113 1.494,1114 1.495,1115 1.538,1116 1.492,1117 1.49,1118 2.064,1119 0.075,1120 4.329,1121 1.444,1122 4.111,1123 4.14,1124 4.068,1125 4.057,1126 5.308,1127 4.054,1128 4.04,1129 4.069,1130 4.004,1131 3.961,1132 4.982,1133 3.97,1134 3.661,1135 3.73,1136 3.574,1137 3.507,1138 4.9,1139 3.511,1140 3.458,1141 3.51,1142 3.369,1143 3.334,1144 4.699,1145 3.337,1146 3.37,1147 3.452,1148 3.212,1149 3.183,1150 4.359,1151 3.184,1152 3.131,1153 3.237,1154 3.021,1155 2.985,1156 4.213,1157 2.97,1158 3.087,1159 3.155,1160 2.949,1161 2.904,1162 4.012,1163 2.919,1164 2.96,1165 3.036,1166 2.793,1167 2.795,1168 3.859,1169 2.786,1170 0.157,1171 0.111,1172 0.225,1173 0.14,1174 0.107,1175 4.551,1176 0.155,1177 3.231,1178 0.032,1179 6.526,1180 0.354,1181 4.073,1182 0.104,1183 3.107,1184 4.495,1185 0.916,1186 10.267,1187 3.006,1188 2.081,1189 2.061,1190 2.167,1191 2.15,1192 1.322,1193 2.153,1194 2.007,1195 1.98,1196 2.072,1197 2.11,1198 1.204,1199 2.104,1200 1.626,1201 1.568,1202 1.843,1203 1.829,1204 1.017,1205 1.834,1206 1.461,1207 1.404,1208 1.691,1209 1.603,1210 0.827,1211 1.636,1212 1.334,1213 1.262,1214 1.508,1215 1.57,1216 0.514,1217 1.568,1218 1.109,1219 1.054,1220 1.364,1221 1.386,1222 0.396,1223 1.371,1224 1.051,1225 0.976,1226 1.295,1227 1.284,1228 0.328,1229 1.316,1230 0.962,1231 0.886,1232 1.24,1233 1.158,1234 0.205,1235 1.19,1236 4.078,1238 5.407,1240 6.944,1242 8.576,1244 10.255,1246 2.147,1250 11.716,1252 1.705,1257 2.305,1262 30.321,1263 64.979,1264 158.221,1265 202.337,1266 237.556,1267 242.311,1268 246.311,1269 31.03,1270 7.586,1271 81.06,1272 81.06,1273 24,1274 12.52,1275 4.524,1276 3.585,1277 38.09,1278 96,1279 90,1280 0.192,1281 187.334,1282 307.42,1283 448.854,1284 20984,1286 18.096,1287 0.696,1288 0.565,1289 18.096,1290 14.684,1291 12.635,1292 0.436,1293 0.3,1294 8.614,1295 12.327,1296 8.38,1297 6.983,1298 12.635,1299 8.692,1300 11.439,1301 0.279,1302 0.155,1303 11.439,1304 6.364,1305 9.774,1306 0.178,1307 0.085,1308 9.774,1309 4.66,1310 8.448,1311 0.116,1312 0.045,1313 8.448,1314 3.299,1315 7.005,1316 0.074,1317 0.024,1318 7.005,1319 2.318,1320 0.3,1321 77.781,1322 0.226,1323 25.04,1324 0.527,1325 140,1326 333.56,1327 148.798,1328 340.532,1329 484.82,1330 320,1331 166,1332 377.141,1333 174.493,1334 388.602,1335 568.41,1336 367,1337 7.839}
{0 CHEMBL523004,1 1.523,2 10.107,3 3.997,4 15.974,5 114.302,6 6.937,7 0.567,8 4.091,9 4.226,10 3.588,11 3.56,12 5.195,13 3.542,14 4.609,15 4.805,16 3.91,17 3.919,18 5.643,19 3.879,20 4.792,21 4.999,22 4.013,23 4.086,24 5.767,25 4.028,26 4.923,27 5.142,28 3.99,29 4.163,30 5.885,31 4.066,32 5.031,33 5.284,34 3.958,35 4.215,36 5.91,37 4.084,38 5.037,39 5.292,40 3.964,41 4.213,42 5.87,43 4.09,44 5.056,45 5.295,46 3.956,47 4.204,48 5.958,49 4.095,50 5.028,51 5.273,52 3.883,53 4.163,54 5.921,55 4.032,56 0.045,57 0.812,58 12.504,59 4.671,60 13.204,61 6.662,62 0.309,63 1.221,64 22.625,65 7.758,66 32.536,67 11.001,68 0.22,69 1.466,70 26.96,71 8.942,72 27.441,73 13.36,74 0.342,75 1.606,76 31.065,77 10.757,78 40.711,79 15.855,80 0.511,81 1.701,82 35.319,83 12.254,84 46.346,85 18.268,86 0.266,87 1.666,88 35.421,89 12.522,90 36.254,91 18.532,92 0.492,93 1.658,94 36.794,95 12.029,96 50.848,97 17.41,98 0.316,99 1.619,100 35.321,101 12.043,102 42.483,103 17.765,104 37,105 41,106 0.252,107 0.595,108 0.772,109 0.849,110 0.861,111 0.879,112 3.375,113 0.934,114 -4.4,115 -4.33,116 -4.08,119 38.2,120 1,121 2,124 2,125 2,139 6,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 11,172 3,173 3,175 1,178 5,180 1,182 11,187 1,189 4,191 1,192 1,193 3,195 1,196 1,197 1,198 3,200 2,201 5,204 3,205 1,206 4,207 2,209 1,210 1,212 3,215 10,218 3,221 3,229 11,234 10,236 1,237 1,239 2,241 9,243 2,246 8,251 2,254 4,256 2,259 2,260 5,262 1,263 1,265 4,268 1,270 4,273 1330,274 19.058,275 19.058,276 19.058,277 19.058,278 19.058,279 17.022,280 25.274,281 11.307,282 19.688,283 14.651,284 14.651,285 14.651,286 14.651,287 14.651,288 11.455,289 33.882,290 5.164,291 15.495,292 4.259,293 2.191,294 1.123,295 0.659,296 0.587,297 0.478,298 4.056,301 1,302 1,303 591,304 3.606,307 249.846,311 129.127,314 1.401,315 21.264,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 60.5,327 283,328 4.551,329 3.293,330 6.527,331 4.077,332 3.111,333 4.495,334 0.916,335 10.278,336 3.007,337 4.282,338 3.125,339 6.251,340 3.902,341 2.94,342 3.916,343 0.86,344 9.447,345 2.828,346 3.936,347 2.914,348 6.008,349 3.612,350 2.674,351 3.341,352 0.86,353 8.595,354 2.506,355 3.548,356 2.675,357 5.221,358 3.159,359 2.235,360 2.867,361 0.172,362 6.492,363 2.056,364 3.468,365 2.249,366 5.065,367 3.038,368 2.117,369 2.811,371 5.951,372 1.945,373 3.42,374 2.087,375 5.018,376 2.941,377 1.996,378 2.783,380 5.794,381 1.884,382 2.959,383 1.961,384 4.542,385 2.634,386 1.663,387 2.097,389 4.604,390 1.613,391 2.737,392 1.672,393 4.198,394 2.523,395 1.547,396 1.777,398 3.743,399 1.504,400 2.452,401 1.283,402 3.708,403 2.096,404 1.123,405 1.433,407 2.565,408 1.091,409 2.273,410 1.185,411 3.383,412 1.973,413 1,414 1.251,415 2.345,416 0.97,417 1.928,418 1.056,419 3.069,420 1.646,421 0.772,422 0.865,423 1.348,424 0.667,425 1.483,426 0.915,427 2.849,428 1.254,429 0.362,430 0.396,431 0.534,432 0.315,433 1.395,434 0.413,435 2.71,436 1.157,437 0.219,438 0.231,439 0.345,440 0.208,441 1.252,442 0.197,443 2.575,444 0.956,445 0.021,446 0.027,448 0.051,449 0.02,450 0.976,451 -0.022,452 2.505,453 0.619,454 -0.328,455 -0.379,457 -0.621,458 -0.307,459 13.167,460 0.47,461 0.622,462 0.022,463 36.75,464 1.313,465 18.5,466 0.661,467 18.25,468 0.652,469 23.839,470 0.851,471 31.233,472 0.568,473 28.28,474 1.01,475 7.255,476 0.259,477 6.295,478 0.225,479 0.175,481 0.334,485 1.013,486 1.409,487 0.886,488 1.184,489 1.169,490 1.032,491 1.169,492 0.938,493 0.859,494 0.875,495 0.668,496 0.84,497 1.074,498 1.189,499 0.947,500 1.031,501 0.813,502 0.973,503 0.913,504 1.185,505 1.064,506 1.176,507 0.811,508 1.152,509 0.621,510 0.943,511 0.985,512 1.049,513 0.81,514 1.065,515 0.787,516 1.026,517 0.912,518 1.071,519 0.705,520 1.019,521 1.403,522 0.894,523 1.132,524 0.977,525 1.16,526 1.019,527 1.053,528 1.157,529 1.081,530 1.191,531 0.973,532 1.156,533 6,534 0.165,535 3.111,536 1.75,537 1.911,538 1.042,539 0.609,540 0.55,541 0.427,542 0.298,543 8642,544 22124,545 2.013,546 49.1,547 5,548 16,551 4,553 2,555 1.717,556 1.867,557 3.285,558 1.662,560 1,564 83.745,565 1.523,566 3.59,567 4.658,568 5.122,569 5.195,570 5.304,571 2.691,572 4.379,573 4.779,574 3.444,575 1301.71,576 8.349,577 17123.8,579 1,581 1,582 317.975,583 1.47,584 4.727,585 0.2,586 0.009,587 0.076,588 0.039,589 0.046,590 0.026,591 0.015,592 0.014,593 0.012,594 0.01,595 0.446,597 1,598 1.304,599 139.081,600 -0.074,601 -0.139,602 0.043,603 -0.058,604 -0.16,605 0.005,606 0.009,607 0.173,608 0.125,609 0.163,610 0.211,611 0.153,612 -0.109,613 -0.073,614 0.014,615 0.004,616 0.003,617 0.027,618 -0.003,619 -0.114,620 -0.11,621 -0.139,622 0.028,623 -0.145,624 0.153,625 0.067,626 -0.034,627 -0.034,628 0.003,629 -0.057,630 -0.004,631 -0.053,632 0.038,633 -0.038,634 0.015,635 0.003,636 -0.195,637 0.084,638 -0.136,639 0.023,640 -0.187,641 -0.038,642 -0.087,643 -0.19,644 -0.113,645 -0.17,646 -0.091,647 -0.151,648 1.485,649 2.076,650 0.571,651 24.643,652 0.998,653 1.136,654 3.165,655 10.017,656 0.642,657 3.434,658 3.738,659 4.007,660 4.263,661 4.522,662 4.615,663 4.682,664 4.762,665 4.868,666 4.868,667 6.132,668 0.606,669 381.53,670 3.434,671 4.963,672 5.808,673 6.683,674 7.551,675 8.434,676 9.31,677 10.197,678 11.076,679 11.964,680 9.1,684 2,686 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,714 1,716 2,718 55,719 17,720 2,721 30,723 57,724 21,725 14,726 6,727 6,729 3,730 4,734 1,739 2,741 14,742 7,754 1,757 27,758 7,759 4,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 3,810 28,811 2,816 4,818 2,821 1,829 3.6,834 2,836 15,837 10.6,838 6.444,839 3.235,840 3.269,841 1.449,842 0.968,843 6.677,844 10.555,845 3.676,846 4.29,847 4.896,848 5.492,849 6.089,850 6.371,851 6.694,852 7.048,853 7.447,854 7.564,855 0.857,856 45,857 10.285,859 4.177,860 7.655,861 19.758,863 15.575,865 2.155,866 60.333,868 1,869 1,870 270.735,871 122.103,872 102.49,874 22,877 122.103,878 292.735,879 102.49,880 30.591,881 9.28,882 122.652,883 33.571,884 46.27,885 4.227,886 270.735,888 270.735,889 224.592,890 22,893 247.193,894 45.542,897 22.149,898 168.872,899 33.571,901 270.735,902 124.49,903 122.103,906 270.735,907 34.654,908 90.573,910 121.365,911 270.735,912 124.49,913 122.103,915 0.567,916 0.339,917 0.186,918 0.108,919 18,920 9,921 0.14,922 8,923 1,924 1.125,925 3.817,926 240.265,927 0.125,928 16,929 134.606,933 20.335,934 9.194,935 4.726,936 1.536,937 124.49,938 11.832,939 8.353,943 4.308,945 65.794,946 517.327,947 38.5,956 54.883,957 62.478,958 0.263,959 0.621,960 0.806,961 0.886,962 0.899,963 0.917,964 4.9,965 1.547,966 5.79,967 4.604,968 4.419,969 4.977,970 1.698,971 6.597,972 4.317,973 6.108,974 1.123,975 7.348,976 3.743,977 4.007,978 4.856,979 0.325,980 7.486,981 3.85,982 7.421,983 1,984 9.003,985 2.565,986 6.009,987 7.229,988 1.422,989 10.569,990 5.819,991 8.771,992 0.772,993 10.715,994 2.345,995 6.399,996 7.916,997 0.393,998 12.25,999 6.156,1000 10.152,1001 0.362,1002 12.462,1003 1.348,1004 7.869,1005 9.785,1006 1.2,1007 14.848,1008 7.604,1009 11.554,1010 0.219,1011 14.232,1012 0.534,1013 8.636,1014 10.864,1015 0.384,1016 16.868,1017 8.324,1018 12.973,1019 0.021,1020 16.02,1021 0.345,1022 9.89,1023 12.519,1024 1.01,1025 19.286,1026 9.556,1027 3.111,1028 -0.328,1029 17.82,1030 0.051,1031 10.838,1032 13.8,1033 0.351,1034 21.459,1035 10.464,1036 2.94,1037 10.278,1038 19.63,1039 -0.621,1040 12.003,1041 15.36,1042 0.845,1043 23.806,1044 11.603,1045 2.674,1046 9.447,1047 21.449,1048 4.495,1049 13.037,1050 16.746,1051 0.312,1052 26.048,1053 12.601,1054 2.235,1055 8.595,1056 23.274,1057 3.916,1058 14.166,1059 18.264,1060 0.702,1061 28.368,1062 13.703,1063 2.117,1064 6.492,1065 25.105,1066 3.341,1067 15.242,1068 19.702,1069 0.273,1070 30.644,1071 14.743,1072 1.996,1073 5.951,1074 26.94,1075 2.867,1076 16.359,1077 21.204,1078 0.579,1079 32.955,1080 15.831,1081 1.663,1082 5.794,1083 28.778,1084 2.811,1085 17.454,1086 22.67,1087 0.236,1088 35.248,1089 16.892,1090 8604,1091 13916,1092 19.592,1093 35.313,1094 43.5,1095 44.353,1096 46.079,1097 43.523,1098 43.558,1099 56.582,1100 5.618,1101 124.184,1102 41.225,1103 5.432,1104 5.293,1105 6.388,1106 5.148,1107 5.111,1108 7.495,1109 1.776,1110 17.172,1111 5.007,1112 15.604,1113 1.45,1114 1.478,1115 1.536,1116 1.451,1117 1.452,1118 1.886,1119 0.187,1120 4.139,1121 1.374,1122 4.081,1123 4.117,1124 4.048,1125 3.984,1126 5.308,1127 3.994,1128 3.928,1129 3.949,1130 3.881,1131 3.842,1132 4.982,1133 3.848,1134 3.69,1135 3.759,1136 3.564,1137 3.538,1138 4.915,1139 3.528,1140 3.492,1141 3.565,1142 3.375,1143 3.299,1144 4.697,1145 3.317,1146 3.33,1147 3.381,1148 3.193,1149 3.089,1150 4.602,1151 3.099,1152 3.254,1153 3.335,1154 3.092,1155 3.006,1156 4.276,1157 3.019,1158 3.142,1159 3.237,1160 3.017,1161 2.895,1162 4.138,1163 2.912,1164 3.129,1165 3.232,1166 2.893,1167 2.87,1168 4.103,1169 2.857,1170 0.152,1171 0.11,1172 0.218,1173 0.136,1174 0.104,1175 4.551,1176 0.15,1177 3.293,1178 0.031,1179 6.527,1180 0.343,1181 4.077,1182 0.1,1183 3.111,1184 4.495,1185 0.916,1186 10.278,1187 3.007,1188 2.017,1189 1.989,1190 2.088,1191 2.135,1192 1.308,1193 2.122,1194 1.893,1195 1.875,1196 1.99,1197 2.007,1198 1.174,1199 2.001,1200 1.691,1201 1.623,1202 1.948,1203 1.875,1204 1.125,1205 1.901,1206 1.431,1207 1.364,1208 1.638,1209 1.669,1210 0.799,1211 1.664,1212 1.257,1213 1.197,1214 1.591,1215 1.569,1216 0.612,1217 1.572,1218 1.218,1219 1.143,1220 1.538,1221 1.488,1222 0.58,1223 1.505,1224 1.132,1225 1.037,1226 1.479,1227 1.425,1228 0.543,1229 1.463,1230 1.049,1231 0.968,1232 1.381,1233 1.386,1234 0.397,1235 1.371,1236 4.111,1238 5.416,1240 6.929,1242 8.541,1244 10.207,1246 5.526,1250 11.788,1252 3.749,1254 10.941,1257 2.302,1262 33.331,1263 83.745,1264 197.468,1265 256.2,1266 281.71,1267 285.71,1268 291.71,1269 44.255,1270 7.286,1271 99.52,1272 99.52,1273 18,1274 12.496,1275 4.17,1276 3.248,1277 49.31,1278 99,1279 104,1280 0.236,1281 208.574,1282 353.54,1283 500.681,1284 13182,1286 20.096,1287 0.718,1288 0.593,1289 20.096,1290 16.605,1291 13.55,1292 0.452,1293 0.311,1294 9.178,1295 12.939,1296 8.868,1297 7.475,1298 13.55,1299 9.339,1300 11.705,1301 0.285,1302 0.161,1303 11.705,1304 6.621,1305 9.85,1306 0.182,1307 0.087,1308 9.85,1309 4.722,1310 8.164,1311 0.117,1312 0.046,1313 8.164,1314 3.215,1315 6.638,1316 0.073,1317 0.025,1318 6.638,1319 2.25,1320 0.362,1321 85.497,1322 0.226,1323 26.358,1324 0.671,1325 142,1326 403.031,1327 156.555,1328 388.985,1329 538.82,1330 366,1331 166,1332 403.232,1333 180.307,1334 412.027,1335 598.07,1336 384,1337 8.018}
{0 CHEMBL52415,1 1.633,2 12.133,3 3.273,4 10.714,5 115.504,6 8.089,7 0.563,8 4.019,9 4.124,10 3.631,11 3.536,12 5.31,13 3.549,14 4.465,15 4.608,16 3.959,17 3.878,18 5.789,19 3.874,20 4.612,21 4.747,22 4.05,23 4.022,24 5.881,25 4.003,26 4.75,27 4.928,28 3.979,29 4.023,30 5.997,31 3.979,32 4.761,33 4.956,34 3.866,35 3.999,36 5.883,37 3.933,38 4.681,39 4.88,40 3.863,41 3.971,42 5.797,43 3.903,44 4.718,45 4.933,46 3.939,47 3.942,48 5.859,49 3.89,50 4.646,51 4.819,52 3.869,53 3.911,54 5.825,55 3.858,56 0.131,57 0.71,58 8.824,59 4.168,60 19.535,61 4.757,62 0.447,63 1.051,64 16.357,65 6.966,66 56.036,67 8.205,68 0.335,69 1.232,70 17.521,71 7.886,72 33.146,73 9.463,74 0.446,75 1.338,76 22.89,77 9.101,78 64.025,79 11.136,80 0.544,81 1.3,82 24.973,83 9.356,84 68.596,85 11.578,86 0.32,87 1.264,88 21.73,89 8.789,90 47.091,91 11.479,92 0.464,93 1.244,94 24.532,95 9.346,96 54.869,97 12.559,98 0.467,99 1.19,100 20.613,101 8.285,102 43.548,103 10.336,104 46,105 44,106 0.272,107 0.663,108 0.771,109 0.836,110 0.842,111 0.862,112 3.44,113 0.833,114 -4.06,115 -4.01,116 -3.8,119 44,121 1,124 2,138 2,139 6,140 5,141 2,142 1,144 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 14,167 1,169 1,170 5,172 3,173 4,175 2,178 16,179 2,180 1,181 1,182 9,187 3,189 14,190 2,191 1,193 9,195 1,196 1,197 1,198 4,200 2,201 10,202 1,204 2,205 1,207 9,212 4,215 9,216 1,218 3,221 7,226 3,229 8,230 1,231 2,233 2,234 7,236 1,237 1,239 4,241 8,242 1,243 3,245 2,246 6,248 1,249 1,251 3,254 7,255 1,256 2,260 4,261 1,262 1,263 1,265 3,268 4,269 1,270 2,273 1672,274 20.049,275 20.049,276 20.049,277 20.049,278 20.049,279 17.445,280 24.363,281 11.657,282 20.572,283 15.632,284 15.632,285 15.632,286 15.632,287 15.632,288 11.558,289 29.078,290 5.336,291 16.283,292 4.011,293 1.663,294 1.02,295 0.63,296 0.59,297 0.47,298 4.12,301 1,302 1,303 760,304 3.536,307 325.566,314 1.884,315 34.987,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 66,327 364,328 4.482,329 3.577,330 6.528,331 4.044,332 3.077,333 4.168,334 1.437,335 10.291,336 2.976,337 4.24,338 3.418,339 6.088,340 3.815,341 2.857,342 3.881,343 0.86,344 8.842,345 2.78,346 4.191,347 3.081,348 5.929,349 3.782,350 2.782,351 3.792,352 0.86,353 8.227,354 2.732,355 3.942,356 2.917,357 5.331,358 3.375,359 2.378,360 3.241,361 0.68,362 6.846,363 2.366,364 3.598,365 2.541,366 5.281,367 3.23,368 2.276,369 2.933,371 6.711,372 2.169,373 3.456,374 2.537,375 5.168,376 2.999,377 2.039,378 2.697,380 6.143,381 1.946,382 3.362,383 2.182,384 4.921,385 2.939,386 1.999,387 2.66,389 5.65,390 1.868,391 3.034,392 2.008,393 4.147,394 2.353,395 1.422,396 1.952,398 3.673,399 1.321,400 2.823,401 1.892,402 3.856,403 2.308,404 1.313,405 1.91,407 3.041,408 1.287,409 2.684,410 1.544,411 3.752,412 2.011,413 1.12,414 1.5,415 2.54,416 1,417 2.5,418 1,419 3.414,420 2,421 1,422 1.42,423 2.275,424 0.985,425 2.083,426 0.996,427 3.148,428 1.55,429 0.578,430 0.882,431 1.318,432 0.559,433 1.611,434 0.807,435 2.97,436 1.32,437 0.414,438 0.473,439 0.829,440 0.369,441 1.463,442 0.626,443 2.728,444 1.171,445 0.288,446 0.33,448 0.443,449 0.254,450 1.063,451 0.467,452 2.424,453 0.718,454 -0.239,455 -0.284,457 -0.478,458 -0.224,459 13.933,460 0.464,461 0.767,462 0.026,463 42.5,464 1.417,465 23.5,466 0.783,467 19,468 0.633,469 21.718,470 0.724,471 31.667,472 0.633,473 35.053,474 1.168,475 8.897,476 0.297,477 5.509,478 0.184,479 0.177,481 0.359,485 0.953,486 1.1,487 0.772,488 0.954,489 0.935,490 0.834,491 0.883,492 0.711,493 0.74,494 0.753,495 0.509,496 0.732,497 0.831,498 1.188,499 0.938,500 1.155,501 0.751,502 1.08,503 1.037,504 1.007,505 1.084,506 1.123,507 0.991,508 1.114,509 1.175,510 0.934,511 1.13,512 0.963,513 0.972,514 1.03,515 0.735,516 1.082,517 0.972,518 1.125,519 0.563,520 1.099,521 0.654,522 0.967,523 0.7,524 0.951,525 0.34,526 0.868,527 0.929,528 1.171,529 1.078,530 1.196,531 0.583,532 1.188,533 7,534 0.219,535 3.556,536 2.063,537 1.88,538 0.944,539 0.793,540 0.516,541 0.377,542 0.359,543 11410,544 38214,545 1.993,546 40,547 2,548 12,550 1,551 5,555 1.73,556 1.837,557 3.546,558 2.419,559 1,560 1,564 81.647,565 1.633,566 3.981,567 4.623,568 5.014,569 5.054,570 5.174,571 3.07,572 4.574,573 4.875,574 3.728,575 1621.56,576 8.518,577 22964.5,579 1,581 1,582 282.193,583 1.506,584 4.82,585 0.219,586 0.008,587 0.081,588 0.044,589 0.045,590 0.025,591 0.021,592 0.013,593 0.01,594 0.012,595 0.476,596 0.17,597 1,598 0.96,599 155.083,600 -0.142,601 0.036,602 -0.004,603 0.051,604 -0.196,605 0.062,606 0.081,607 0.337,608 0.135,609 0.256,610 0.204,611 0.208,612 -0.013,613 -0.119,614 -0.11,615 -0.145,616 -0.033,617 -0.143,618 -0.114,619 0.002,620 -0.162,621 -0.131,622 -0.085,623 -0.15,624 -0.206,625 0.022,626 -0.162,627 0.041,628 -0.18,629 -0.035,630 -0.043,631 -0.085,632 -0.055,633 -0.114,634 -0.023,635 -0.087,636 0.164,637 -0.034,638 0.287,639 0.068,640 0.214,641 0.174,642 0.006,643 -0.182,644 -0.154,645 -0.195,646 -0.008,647 -0.217,648 2.653,649 3.985,650 0.6,651 31.582,652 1.016,653 1.123,654 2.833,655 8.028,656 0.679,657 3.497,658 3.807,659 4.043,660 4.248,661 4.454,662 4.489,663 4.564,664 4.635,665 4.779,666 4.852,667 7.142,668 0.663,669 404.46,670 3.497,671 5.03,672 5.866,673 6.732,674 7.584,675 8.452,676 9.31,677 10.179,678 11.041,679 11.911,680 8,684 2,690 2,695 7,696 2,700 9,702 18,709 1,711 2,716 2,718 50,719 20,720 2,721 32,723 52,724 22,725 16,726 6,727 6,728 1,729 3,730 3,739 1,740 2,741 17,742 3,744 1,748 1,751 1,754 1,757 20,758 8,759 5,760 8,764 4,769 1,770 4,776 1,781 3,788 2,800 1,802 3,806 2,810 30,811 2,815 1,816 1,818 2,823 1,827 2,829 8,831 1,832 1,834 2,836 16.333,837 9.6,838 6.778,839 2.551,840 4.23,841 1.575,842 0.956,843 6.654,844 11.581,845 3.807,846 4.413,847 5.002,848 5.552,849 6.121,850 6.397,851 6.821,852 7.184,853 7.697,854 8.128,855 1,856 47,857 10.969,859 4.551,860 8.006,861 20.201,863 15.692,865 2.506,866 75.167,869 1,870 176.567,871 155.818,872 99.365,874 89.828,877 155.818,878 266.395,879 99.365,880 21.766,881 2.535,882 122.652,883 114.08,884 57.462,885 38.288,886 164.795,888 176.567,889 255.184,890 89.828,893 176.567,894 89.828,897 13.481,898 174.071,899 67.632,901 176.567,902 189.193,903 155.818,906 176.567,907 34.086,908 87.671,909 34.061,910 189.193,911 176.567,912 189.193,913 155.818,915 0.578,916 0.342,917 0.177,918 0.095,919 19,920 10,921 0.096,922 5,924 1,925 4.059,926 256.29,928 18,929 143.207,933 21.284,934 9.379,935 5.149,937 189.193,938 11.6,939 7.974,943 4.523,945 108.478,946 521.578,947 44,951 10.985,954 -0.987,956 50.785,957 56.152,958 0.289,959 0.705,960 0.819,961 0.888,962 0.895,963 0.917,964 5.04,965 1.422,966 5.855,967 5.65,968 4.489,969 5.1,970 2.198,971 6.642,972 4.419,973 6.276,974 1.313,975 7.408,976 3.673,977 4.111,978 4.902,980 7.509,981 4.018,982 7.595,983 1.12,984 9.055,985 3.041,986 6.071,987 7.318,988 2.496,989 10.549,990 5.951,991 8.947,992 1,993 10.755,994 2.54,995 6.463,996 7.875,998 12.197,999 6.313,1000 10.323,1001 0.578,1002 12.488,1003 2.275,1004 7.909,1005 9.779,1006 3.016,1007 14.762,1008 7.742,1009 11.717,1010 0.414,1011 14.244,1012 1.318,1013 8.658,1014 10.705,1016 16.756,1017 8.454,1018 13.125,1019 0.288,1020 16.017,1021 0.829,1022 9.895,1023 12.373,1024 3.653,1025 19.153,1026 9.674,1027 3.077,1028 -0.239,1029 17.803,1030 0.443,1031 10.818,1032 13.502,1034 21.312,1035 10.559,1036 2.857,1037 10.291,1038 19.598,1039 -0.478,1040 11.966,1041 15.046,1042 4.342,1043 23.65,1044 11.686,1045 2.782,1046 8.842,1047 21.403,1048 4.168,1049 12.976,1050 16.291,1052 25.888,1053 12.659,1054 2.378,1055 8.227,1056 23.215,1057 3.881,1058 14.088,1059 17.768,1060 5.052,1061 28.207,1062 13.746,1063 2.276,1064 6.846,1065 25.033,1066 3.792,1067 15.141,1068 19.081,1070 30.485,1071 14.762,1072 2.039,1073 6.711,1074 26.857,1075 3.241,1076 16.241,1077 20.522,1078 5.77,1079 32.8,1080 15.834,1081 1.999,1082 6.143,1083 28.686,1084 2.933,1085 17.316,1086 21.874,1088 35.098,1089 16.874,1090 11284,1091 20779,1092 20.69,1093 33.932,1094 48.44,1095 48.722,1096 49.566,1097 47.018,1098 47.086,1099 63.675,1100 7.673,1101 133.66,1102 45.228,1103 5.252,1104 5.577,1105 6.066,1106 5.113,1107 5.077,1108 7.168,1109 2.873,1110 17.228,1111 4.976,1112 18.131,1113 1.514,1114 1.523,1115 1.549,1116 1.469,1117 1.471,1118 1.99,1119 0.24,1120 4.177,1121 1.413,1122 4.019,1123 4.039,1124 3.981,1125 3.956,1126 7.475,1127 3.958,1128 3.908,1129 3.934,1130 3.861,1131 3.837,1132 6.351,1133 3.838,1134 3.811,1135 3.847,1136 3.779,1137 3.658,1138 5.291,1139 3.683,1140 3.38,1141 3.384,1142 3.351,1143 3.258,1144 4.993,1145 3.273,1146 3.318,1147 3.374,1148 3.193,1149 3.075,1150 4.975,1151 3.097,1152 3.242,1153 3.299,1154 3.095,1155 2.953,1156 4.782,1157 2.977,1158 3.136,1159 3.219,1160 2.981,1161 2.876,1162 4.506,1163 2.887,1164 3.035,1165 3.112,1166 2.908,1167 2.781,1168 4.463,1169 2.801,1170 0.14,1171 0.112,1172 0.204,1173 0.126,1174 0.096,1175 4.482,1176 0.13,1177 3.577,1178 0.045,1179 6.528,1180 0.322,1181 4.044,1182 0.093,1183 3.077,1184 4.168,1185 1.437,1186 10.291,1187 2.976,1188 1.969,1189 1.955,1190 2.045,1191 2.056,1192 1.216,1193 2.05,1194 1.892,1195 1.872,1196 1.988,1197 1.988,1198 1.082,1199 1.987,1200 1.734,1201 1.696,1202 1.811,1203 1.912,1204 0.876,1205 1.886,1206 1.308,1207 1.299,1208 1.576,1209 1.54,1210 0.575,1211 1.549,1212 1.246,1213 1.186,1214 1.572,1215 1.53,1216 0.572,1217 1.542,1218 1.176,1219 1.105,1220 1.396,1221 1.464,1222 0.381,1223 1.43,1224 1.061,1225 1,1226 1.288,1227 1.382,1228 0.247,1229 1.361,1230 0.936,1231 0.884,1232 1.213,1233 1.271,1234 0.218,1235 1.267,1236 4.174,1238 5.485,1240 6.989,1242 8.582,1244 10.22,1246 3.084,1250 11.505,1251 9.005,1252 0.453,1254 10.938,1261 6.088,1262 33.159,1263 81.647,1264 199.032,1265 231.173,1266 250.683,1267 252.683,1268 258.683,1269 60.274,1270 7.351,1271 133.58,1272 133.58,1273 18,1274 12.455,1275 4.392,1276 3.7,1277 55.208,1278 124,1279 136,1280 0.209,1281 207.655,1282 366.86,1283 498.439,1284 15211,1286 21.673,1287 0.722,1288 0.549,1289 21.673,1290 16.47,1291 14.405,1292 0.45,1293 0.278,1294 8.718,1295 13.755,1296 8.45,1297 7.082,1298 14.405,1299 8.881,1300 12.831,1301 0.292,1302 0.144,1303 12.831,1304 6.327,1305 10.504,1306 0.188,1307 0.077,1308 10.504,1309 4.323,1310 8.447,1311 0.122,1312 0.041,1313 8.447,1314 2.842,1315 6.617,1316 0.078,1317 0.022,1318 6.617,1319 1.893,1320 0.33,1321 91.258,1322 0.22,1323 28.469,1324 0.57,1325 152,1326 515.271,1327 168.235,1328 497.313,1329 667.45,1330 462,1331 176,1332 479.729,1333 191.074,1334 492.461,1335 708.6,1336 457,1337 4.056}
{0 CHEMBL52433,1 1.619,2 10.862,3 2.532,4 6.409,5 113.034,6 7.246,7 0.548,8 4.108,9 4.238,10 3.639,11 3.524,12 5.264,13 3.533,14 4.621,15 4.819,16 3.98,17 3.872,18 5.702,19 3.871,20 4.728,21 4.888,22 4.158,23 4.076,24 5.827,25 4.068,26 4.948,27 5.127,28 4.204,29 4.218,30 6.061,31 4.159,32 5.163,33 5.405,34 4.059,35 4.251,36 6.107,37 4.157,38 5.09,39 5.327,40 3.934,41 4.191,42 6.01,43 4.076,44 5.075,45 5.343,46 3.837,47 4.125,48 5.92,49 3.991,50 5.01,51 5.299,52 3.81,53 4.006,54 5.903,55 3.876,56 0.08,57 0.815,58 12.096,59 4.35,60 13.321,61 6.192,62 0.475,63 1.19,64 23.012,65 7.05,66 36.769,67 9.962,68 0.439,69 1.448,70 23.916,71 7.839,72 22.839,73 11.49,74 0.52,75 1.692,76 30.157,77 10.976,78 43.568,79 15.6,80 0.783,81 1.793,82 41.247,83 11.603,84 66.336,85 17.762,86 0.698,87 1.656,88 38.028,89 11.833,90 55.998,91 17.326,92 0.587,93 1.554,94 38.337,95 11.716,96 52.531,97 17.866,98 0.595,99 1.408,100 36.603,101 10.827,102 57.124,103 16.975,104 66,105 44,106 0.268,107 0.601,108 0.761,109 0.781,110 0.789,111 0.814,112 3.408,113 0.886,114 -3.1,115 -3.1,116 -2.98,119 36.4,120 2,124 3,125 2,139 2,140 3,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 10,172 3,173 3,175 1,178 4,180 1,181 2,182 6,187 1,191 1,192 5,193 9,195 3,196 3,197 1,198 3,200 2,201 5,204 3,205 1,206 1,212 1,215 3,218 1,220 2,221 7,223 1,224 1,226 2,229 6,231 2,234 4,245 2,246 11,248 1,249 1,251 3,256 3,259 1,260 2,273 1281,274 19.566,275 19.566,276 19.566,277 19.566,278 19.566,279 17.457,280 29.142,281 11.116,282 20.447,283 14.991,284 14.991,285 14.991,286 14.991,287 14.991,288 11.606,289 41.7,290 4.854,291 16.099,292 4.162,293 2.154,294 1.192,295 1.069,296 1.019,297 0.869,298 4.085,301 1,302 1,303 657,304 3.606,307 260.348,311 137.736,314 1.532,315 27.15,318 1,319 0.83,320 1,321 1,322 1,323 1,324 1,325 0.98,326 64,327 315,328 4.656,329 3.412,330 6.838,331 4.192,332 3.22,333 4.616,334 0.916,335 11.245,336 3.135,337 4.443,338 3.319,339 6.554,340 4.042,341 3.097,342 4.12,343 0.86,344 10.384,345 2.92,346 3.96,347 3.024,348 6.106,349 3.644,350 2.71,351 3.426,352 0.86,353 8.897,354 2.532,355 3.758,356 2.633,357 5.754,358 3.391,359 2.446,360 3.065,361 0.86,362 7.69,363 2.306,364 3.452,365 2.555,366 5.19,367 2.973,368 2.061,369 2.86,370 0.172,371 6.118,372 1.901,373 3.372,374 2.184,375 5.097,376 2.972,377 2.039,378 2.695,380 5.916,381 1.867,382 3.355,383 2.053,384 5.01,385 2.896,386 1.97,387 2.604,389 5.795,390 1.817,391 2.751,392 2.002,393 4.48,394 2.456,395 1.514,396 1.811,398 4.204,399 1.422,400 2.653,401 1.665,402 4.176,403 2.26,404 1.315,405 1.691,407 3.392,408 1.24,409 2.138,410 1.471,411 3.684,412 1.912,413 1.076,414 1.122,415 2.173,416 0.893,417 1.696,418 0.982,419 3.124,420 1.467,421 0.513,422 0.575,423 1.036,424 0.488,425 1.576,426 0.916,427 2.859,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.41,434 0.738,435 2.823,436 1.168,437 0.324,438 0.345,439 0.413,440 0.271,441 1.249,442 0.261,443 2.682,444 0.982,445 0.04,446 0.046,448 0.069,449 0.037,450 1.18,451 0.116,452 2.552,453 0.837,454 -0.115,455 -0.141,457 -0.295,458 -0.109,459 13.4,460 0.462,461 0.746,462 0.026,463 38.75,464 1.336,465 19,466 0.655,467 19.75,468 0.681,469 25.444,470 0.877,471 32.8,472 0.596,473 31.374,474 1.082,475 7.926,476 0.273,477 6,478 0.207,479 0.246,481 0.403,485 1.007,486 1.553,487 0.836,488 1.28,489 1.146,490 1.051,491 1.263,492 0.798,493 0.757,494 0.676,495 0.782,496 0.639,497 0.923,498 1.302,499 0.875,500 1.067,501 0.795,502 0.964,503 0.645,504 1.315,505 1.008,506 1.41,507 0.599,508 1.307,509 1.27,510 0.981,511 1.182,512 0.995,513 1.241,514 1.06,515 1.187,516 0.969,517 1.228,518 1.124,519 1.067,520 1.186,521 0.967,522 0.965,523 1.014,524 1.027,525 0.883,526 1.036,527 0.719,528 0.912,529 0.798,530 0.938,531 0.71,532 0.896,533 6.5,534 0.206,535 3.778,536 2.875,537 2.693,538 1.222,539 0.73,540 0.557,541 0.34,542 0.334,543 9423,544 26957,545 1.973,546 47.3,547 3,548 15,550 1,551 4,553 3,555 1.723,556 1.794,557 3.383,558 1.697,559 1,560 1,564 89.06,565 1.619,566 3.627,567 4.59,568 4.712,569 4.762,570 4.913,571 2.823,572 4.582,573 4.833,574 3.532,575 1433.92,576 8.433,577 18974.2,579 1,581 1,582 317.975,583 1.556,584 4.756,585 0.21,586 0.009,587 0.086,588 0.055,589 0.053,590 0.028,591 0.02,592 0.016,593 0.01,594 0.012,595 0.499,596 0.17,597 1,598 1.057,599 145.782,600 -0.097,601 -0.258,602 0.049,603 -0.136,604 -0.184,605 -0.025,606 -0.057,607 0.293,608 0.229,609 0.341,610 0.15,611 0.331,612 0.056,613 -0.08,614 0.043,615 0.023,616 0.026,617 0.039,618 0.213,619 -0.157,620 -0.099,621 -0.312,622 0.224,623 -0.282,624 -0.214,625 0.011,626 -0.196,627 -0.02,628 -0.257,629 -0.091,630 -0.172,631 0.016,632 -0.256,633 -0.115,634 -0.201,635 -0.194,636 -0.092,637 -0.056,638 -0.039,639 -0.025,640 -0.073,641 -0.023,642 0.111,643 -0.047,644 0.19,645 0.038,646 0.17,647 0.115,648 1.553,649 2.077,650 0.552,651 24.535,652 1.008,653 1.141,654 1.875,655 3.515,656 0.637,657 3.466,658 3.807,659 4.127,660 4.407,661 4.615,662 4.691,663 4.745,664 4.804,665 4.852,666 4.875,667 6.346,668 0.61,669 398.52,670 3.466,671 5.017,672 5.889,673 6.788,674 7.676,675 8.578,676 9.47,677 10.374,678 11.267,679 12.171,680 10.9,684 2,686 1,690 3,694 2,695 3,696 3,700 8,702 17,711 2,714 1,716 3,718 55,719 17,720 1,721 31,723 57,724 20,725 13,726 4,727 2,729 3,730 4,734 2,741 13,742 7,754 1,757 26,758 9,759 4,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 5,810 29,811 2,816 2,818 3,821 1,829 5.5,834 3,836 16.167,837 11.467,838 6.694,839 3.025,840 3.328,841 1.448,842 0.955,843 6.497,844 10.748,845 3.701,846 4.357,847 5.004,848 5.619,849 6.181,850 6.485,851 6.787,852 7.106,853 7.463,854 7.615,855 1,856 52,857 10.627,859 4.323,860 7.747,861 20.079,863 15.593,865 2.247,866 65.167,869 1,870 258.964,871 115.884,872 119.275,874 33,877 115.884,878 291.964,879 119.275,880 50.3,881 4.211,882 84.747,883 62.128,884 74.318,885 4.227,886 247.193,888 258.964,889 235.16,890 33,893 225.366,894 68.313,897 32.808,898 150.279,899 50.357,901 258.964,902 152.275,903 115.884,906 258.964,907 37.585,908 81.424,910 149.151,911 258.964,912 152.275,913 115.884,915 0.577,916 0.37,917 0.212,918 0.112,919 20,920 11,921 0.123,922 7,923 1,924 1.125,925 3.786,926 257.827,927 0.125,928 16,929 132.881,933 21.208,934 8.883,935 4.113,936 1.213,937 152.275,938 5.643,939 12.677,943 5.108,945 65.794,946 527.124,947 39.5,956 55.429,957 62.77,958 0.28,959 0.627,960 0.794,961 0.815,962 0.824,963 0.85,964 4.951,965 1.514,966 5.9,967 5.795,968 4.489,969 5.043,970 1.938,971 6.767,972 4.363,973 6.187,974 1.315,975 7.502,976 4.204,977 4.205,978 5.047,979 0.325,980 7.789,981 4.048,982 7.527,983 1.076,984 9.2,985 3.392,986 6.142,987 7.351,988 1.656,989 10.898,990 5.924,991 8.904,992 0.513,993 10.954,994 2.173,995 6.648,996 8.143,997 0.393,998 12.702,999 6.4,1000 10.312,1001 0.396,1002 12.742,1003 1.036,1004 8.079,1005 9.966,1006 1.418,1007 15.349,1008 7.787,1009 11.74,1010 0.324,1011 14.553,1012 0.603,1013 8.94,1014 11.128,1015 0.384,1016 17.484,1017 8.618,1018 13.185,1019 0.04,1020 16.381,1021 0.413,1022 10.185,1023 12.764,1024 1.207,1025 19.969,1026 9.827,1027 3.22,1028 -0.115,1029 18.223,1030 0.069,1031 11.206,1032 14.108,1033 0.351,1034 22.248,1035 10.817,1036 3.097,1037 11.245,1038 20.075,1039 -0.295,1040 12.384,1041 15.667,1042 1.019,1043 24.674,1044 11.962,1045 2.71,1046 10.384,1047 21.936,1048 4.616,1049 13.475,1050 17.1,1051 0.312,1052 27.018,1053 13.023,1054 2.446,1055 8.897,1056 23.804,1057 4.12,1058 14.63,1059 18.629,1060 0.852,1061 29.424,1062 14.148,1063 2.061,1064 7.69,1065 25.678,1066 3.426,1067 15.754,1068 20.104,1069 0.273,1070 31.798,1071 15.241,1072 2.039,1073 6.118,1074 27.557,1075 3.065,1076 16.903,1077 21.623,1078 0.706,1079 34.198,1080 16.362,1081 1.97,1082 5.916,1083 29.44,1084 2.86,1085 18.041,1086 23.119,1087 0.236,1088 36.587,1089 17.471,1090 9409,1091 16050,1092 19.709,1093 35.012,1094 45.31,1095 46.761,1096 49.616,1097 45.328,1098 45.443,1099 58.858,1100 7.338,1101 135.872,1102 42.341,1103 5.498,1104 5.412,1105 6.38,1106 5.267,1107 5.22,1108 7.616,1109 1.776,1110 18.523,1111 5.135,1112 18.528,1113 1.462,1114 1.508,1115 1.601,1116 1.462,1117 1.466,1118 1.899,1119 0.237,1120 4.383,1121 1.366,1122 4.079,1123 4.118,1124 4.053,1125 3.965,1126 5.321,1127 3.981,1128 3.937,1129 3.955,1130 3.904,1131 3.826,1132 4.982,1133 3.842,1134 3.604,1135 3.666,1136 3.52,1137 3.41,1138 4.974,1139 3.428,1140 3.447,1141 3.525,1142 3.322,1143 3.251,1144 4.804,1145 3.255,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.236,1153 3.308,1154 3.05,1155 2.98,1156 4.468,1157 2.98,1158 3.185,1159 3.276,1160 3.03,1161 2.943,1162 4.325,1163 2.949,1164 3.164,1165 3.254,1166 2.947,1167 2.89,1168 4.156,1169 2.887,1170 0.15,1171 0.11,1172 0.221,1173 0.135,1174 0.104,1175 4.656,1176 0.149,1177 3.412,1178 0.03,1179 6.838,1180 0.363,1181 4.192,1182 0.101,1183 3.22,1184 4.616,1185 0.916,1186 11.245,1187 3.135,1188 2,1189 1.969,1190 2.067,1191 2.136,1192 1.257,1193 2.115,1194 1.875,1195 1.86,1196 1.956,1197 2.014,1198 1.106,1199 1.995,1200 1.551,1201 1.487,1202 1.798,1203 1.781,1204 0.948,1205 1.783,1206 1.41,1207 1.337,1208 1.61,1209 1.644,1210 0.698,1211 1.649,1212 1.227,1213 1.163,1214 1.59,1215 1.558,1216 0.584,1217 1.565,1218 1.193,1219 1.117,1220 1.571,1221 1.512,1222 0.572,1223 1.531,1224 1.162,1225 1.072,1226 1.543,1227 1.45,1228 0.561,1229 1.485,1230 1.135,1231 1.046,1232 1.485,1233 1.408,1234 0.553,1235 1.429,1236 4.143,1238 5.476,1240 7.026,1242 8.678,1244 10.383,1246 8.844,1250 11.762,1252 1.359,1254 16.386,1257 2.175,1262 33.541,1263 89.06,1264 199.49,1265 252.426,1266 259.181,1267 261.936,1268 270.2,1269 49.638,1270 7.421,1271 121.64,1272 121.64,1273 18,1274 12.692,1275 4.17,1276 3.248,1277 52.333,1278 111,1279 108,1280 0.234,1281 209.772,1282 356.03,1283 503.605,1284 15638,1286 21.129,1287 0.729,1288 0.597,1289 21.129,1290 17.315,1291 13.926,1292 0.449,1293 0.295,1294 8.932,1295 13.1,1296 8.548,1297 7.211,1298 13.926,1299 9.151,1300 12.132,1301 0.276,1302 0.147,1303 12.132,1304 6.472,1305 10.678,1306 0.175,1307 0.08,1308 10.678,1309 4.892,1310 9.302,1311 0.115,1312 0.041,1313 9.302,1314 3.333,1315 7.132,1316 0.071,1317 0.022,1318 7.132,1319 2.188,1320 0.362,1321 89.324,1322 0.225,1323 27.113,1324 0.656,1325 150,1326 478.412,1327 169.21,1328 452.562,1329 624.32,1330 426,1331 180,1332 465.242,1333 200.014,1334 473.837,1335 692.54,1336 439,1337 7.979}
{0 CHEMBL52688,1 1.667,2 10.926,3 2.358,4 5.56,5 103.991,6 7.56,7 0.586,8 4.008,9 4.134,10 3.576,11 3.415,12 5.203,13 3.439,14 4.503,15 4.69,16 3.913,17 3.748,18 5.636,19 3.769,20 4.598,21 4.75,22 4.058,23 3.926,24 5.793,25 3.931,26 4.776,27 4.959,28 4.034,29 4.019,30 5.892,31 3.972,32 4.923,33 5.145,34 3.895,35 4.015,36 5.936,37 3.94,38 4.876,39 5.114,40 3.682,41 3.927,42 5.821,43 3.822,44 4.782,45 5.056,46 3.605,47 3.839,48 5.65,49 3.706,50 4.7,51 4.995,52 3.556,53 3.696,54 5.625,55 3.586,56 0.109,57 0.738,58 10.207,59 3.709,60 12.811,61 5.122,62 0.482,63 1.065,64 19.854,65 5.834,66 34.692,67 8.074,68 0.54,69 1.27,70 19.891,71 6.606,72 31.622,73 9.13,74 0.489,75 1.383,76 24.727,77 8.781,78 35.555,79 12.476,80 0.713,81 1.41,82 31.644,83 9.285,84 57.546,85 13.47,86 0.784,87 1.293,88 31.085,89 8.815,90 55.739,91 12.709,92 0.525,93 1.162,94 28.793,95 9.039,96 41.127,97 13.856,98 0.507,99 1.046,100 27.315,101 7.565,102 48.837,103 12.134,104 46,105 41,106 0.283,107 0.605,108 0.728,109 0.772,110 0.782,111 0.81,112 3.34,113 0.844,114 -2.34,115 -2.38,116 -2.34,119 36.7,124 4,125 1,139 4,141 4,143 3,144 1,147 1,157 2,158 2,159 2,166 1,169 1,170 6,172 3,173 3,178 1,181 5,182 5,184 1,185 1,192 3,193 4,195 1,196 1,197 1,198 2,200 2,204 2,205 1,206 1,207 3,209 1,210 1,212 2,215 2,218 2,220 2,223 1,224 1,229 2,233 2,234 2,245 1,246 7,248 1,249 1,251 2,256 2,260 1,273 1049,274 18.143,275 18.143,276 18.143,277 18.143,278 18.143,279 16.107,280 26.703,281 10.377,282 18.986,283 14.097,284 14.097,285 14.097,286 14.097,287 14.097,288 10.793,289 37.967,290 4.639,291 15.19,292 3.948,293 2.047,294 1.322,295 1.062,296 1.006,297 0.837,298 4.018,300 1,301 1,302 1,303 619,304 3.391,307 241.002,311 126.959,314 1.569,315 25.833,317 1,318 1,319 0.83,320 1,321 1,323 1,324 1,325 0.83,326 60,327 295,328 4.543,329 3.398,330 6.548,331 4.054,332 3.107,333 4.491,334 0.916,335 10.351,336 2.945,337 4.44,338 3.153,339 6.502,340 4.019,341 3.069,342 4.119,343 0.86,344 10.177,345 2.906,346 3.879,347 2.983,348 5.986,349 3.589,350 2.659,351 3.267,352 0.86,353 8.449,354 2.471,355 3.671,356 2.555,357 5.295,358 3.249,359 2.309,360 3.025,361 0.86,362 6.788,363 2.172,364 3.427,365 2.488,366 5.19,367 2.972,368 2.061,369 2.811,370 0.172,371 6.118,372 1.884,373 3.356,374 2.172,375 5.062,376 2.963,377 2.031,378 2.679,380 5.803,381 1.867,382 3.355,383 2.045,384 4.973,385 2.894,386 1.947,387 2.604,389 5.758,390 1.839,391 2.559,392 1.979,393 4.222,394 2.266,395 1.355,396 1.568,398 3.611,399 1.231,400 2.447,401 1.422,402 3.711,403 1.955,404 1.028,405 1.425,407 2.565,408 0.951,409 2.106,410 1.058,411 3.632,412 1.868,413 1,414 1.085,415 2.111,416 0.858,417 1.576,418 0.964,419 2.891,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.497,426 0.916,427 2.859,428 1.164,429 0.315,430 0.339,431 0.468,432 0.264,433 1.391,434 0.398,435 2.662,436 1.089,437 0.162,438 0.202,439 0.343,440 0.15,441 0.987,442 0.101,443 2.513,444 0.554,445 -0.37,446 -0.451,448 -0.783,449 -0.339,450 0.837,451 -0.198,452 2.483,453 0.454,454 -0.458,455 -0.563,457 -1.079,458 -0.413,459 12.4,460 0.459,461 0.712,462 0.026,463 37.75,464 1.398,465 19,466 0.704,467 18.75,468 0.694,469 20.193,470 0.748,471 30.2,472 0.616,473 29.872,474 1.106,475 7.884,476 0.292,477 5.076,478 0.188,479 0.226,481 0.395,485 1.024,486 1.555,487 0.799,488 1.259,489 1.169,490 1.009,491 1.346,492 0.866,493 0.762,494 0.66,495 0.834,496 0.608,497 0.916,498 1.128,499 0.942,500 1.062,501 0.848,502 1.003,503 0.724,504 1.333,505 0.969,506 1.364,507 0.669,508 1.247,509 1.295,510 1.075,511 1.202,512 1.11,513 1.183,514 1.146,515 1.399,516 0.829,517 1.345,518 1.003,519 1.261,520 1.15,521 0.646,522 0.968,523 0.865,524 1.031,525 0.555,526 1.01,527 0.683,528 0.82,529 0.749,530 0.825,531 0.775,532 0.798,533 6.5,534 0.206,535 3.333,536 2.313,537 2.462,538 0.91,539 0.588,540 0.389,541 0.234,542 0.278,543 8277,544 24839,545 1.992,546 44.9,548 18,551 4,555 1.701,556 1.82,557 3.397,558 1.771,559 1,560 1,564 81.69,565 1.667,566 3.567,567 4.292,568 4.553,569 4.609,570 4.778,571 2.847,572 4.255,573 4.73,574 3.549,575 1245.74,576 8.207,577 15937.5,579 1,581 1,582 275.121,583 1.541,584 4.659,585 0.224,586 0.01,587 0.081,588 0.05,589 0.057,590 0.025,591 0.021,592 0.014,593 0.009,594 0.012,595 0.504,596 0.17,597 1,598 1.011,599 133.688,600 -0.124,601 -0.283,602 0.046,603 -0.149,604 -0.228,605 -0.026,606 -0.132,607 0.216,608 0.208,609 0.338,610 0.101,611 0.336,612 0.102,613 0.098,614 -0.052,615 -0.019,616 0.035,617 -0.055,618 0.146,619 -0.233,620 -0.069,621 -0.288,622 0.143,623 -0.237,624 -0.198,625 -0.102,626 -0.222,627 -0.116,628 -0.196,629 -0.171,630 -0.277,631 0.121,632 -0.347,633 -0.038,634 -0.338,635 -0.188,636 0.101,637 -0.091,638 0.115,639 -0.009,640 0.15,641 0.042,642 0.092,643 0.038,644 0.263,645 0.134,646 0.143,647 0.225,648 1.538,649 1.921,650 0.593,651 23.021,652 1.014,653 1.142,654 1.114,655 1.241,656 0.643,657 3.401,658 3.738,659 4.025,660 4.29,661 4.511,662 4.533,663 4.595,664 4.595,665 4.691,666 4.691,667 6.391,668 0.622,669 370.46,670 3.401,671 4.949,672 5.808,673 6.698,674 7.574,675 8.465,676 9.346,677 10.236,678 11.118,679 12.008,680 12.2,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,716 3,718 49,719 17,720 1,721 29,723 51,724 18,725 13,726 4,727 2,729 3,730 4,741 13,742 5,753 1,754 1,757 22,758 9,759 4,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 4,810 27,811 2,816 1,818 3,821 1,829 6.1,834 3,836 14.833,837 10.05,838 6.139,839 2.428,840 3.33,841 1.456,842 0.962,843 5.723,844 10.631,845 3.651,846 4.304,847 4.933,848 5.539,849 6.116,850 6.372,851 6.679,852 6.956,853 7.354,854 7.443,855 1,856 46,857 9.869,859 4.028,860 7.796,861 18.487,863 14.278,865 2.296,866 62,869 1,870 211.88,871 110.815,872 119.275,874 33,877 110.815,878 244.879,879 119.275,880 41.046,881 2.106,882 103.699,883 50.357,884 61.656,885 4.227,886 211.88,888 211.88,889 230.091,890 33,893 211.88,894 33,897 11.05,898 168.684,899 50.357,901 211.88,902 152.275,903 110.815,906 211.88,907 31.865,908 82.075,910 149.151,911 211.88,912 152.275,913 110.815,915 0.579,916 0.36,917 0.202,918 0.11,919 19,920 10,921 0.118,922 6,923 1,924 1.125,925 3.724,926 228.826,927 0.125,928 16,929 120.382,933 19.261,934 8.022,935 3.939,936 1.138,937 152.275,938 7.457,939 12.675,943 3.783,945 65.794,946 474.97,947 37.5,956 49.662,957 55.94,958 0.297,959 0.635,960 0.764,961 0.811,962 0.821,963 0.851,964 4.892,965 1.355,966 5.814,967 5.758,968 4.419,969 4.99,970 1.938,971 6.653,972 4.283,973 6.126,974 1.028,975 7.397,976 3.611,977 4.111,978 4.956,979 0.325,980 7.6,981 3.924,982 7.456,983 1,984 9.074,985 2.565,986 6.047,987 7.281,988 1.656,989 10.686,990 5.801,991 8.823,992 0.396,993 10.804,994 2.111,995 6.509,996 8.02,997 0.393,998 12.404,999 6.203,1000 10.218,1001 0.315,1002 12.567,1003 0.603,1004 7.944,1005 9.861,1006 1.418,1007 15.019,1008 7.594,1009 11.633,1010 0.162,1011 14.352,1012 0.468,1013 8.76,1014 10.973,1015 0.384,1016 17.073,1017 8.347,1018 13.063,1019 -0.37,1020 16.153,1021 0.343,1022 10,1023 12.613,1024 1.207,1025 19.513,1026 9.545,1027 3.107,1028 -0.458,1029 17.967,1030 -0.783,1031 10.982,1032 13.914,1033 0.351,1034 21.718,1035 10.466,1036 3.069,1037 10.351,1038 19.791,1039 -1.079,1040 12.145,1041 15.466,1042 1.019,1043 24.089,1044 11.586,1045 2.659,1046 10.177,1047 21.623,1048 4.491,1049 13.203,1050 16.861,1051 0.312,1052 26.36,1053 12.586,1054 2.309,1055 8.449,1056 23.462,1057 4.119,1058 14.339,1059 18.374,1060 0.852,1061 28.704,1062 13.674,1063 2.061,1064 6.788,1065 25.306,1066 3.267,1067 15.432,1068 19.815,1069 0.273,1070 31.006,1071 14.711,1072 2.031,1073 6.118,1074 27.155,1075 3.025,1076 16.558,1077 21.312,1078 0.706,1079 33.339,1080 15.788,1081 1.947,1082 5.803,1083 29.008,1084 2.811,1085 17.667,1086 22.777,1087 0.236,1088 35.655,1089 16.842,1090 8201,1091 14335,1092 18.611,1093 31.489,1094 42.871,1095 44.034,1096 45.881,1097 42.765,1098 42.88,1099 56.132,1100 7.338,1101 126.289,1102 39.764,1103 5.375,1104 5.398,1105 6.09,1106 5.127,1107 5.107,1108 7.491,1109 1.776,1110 17.271,1111 4.945,1112 16.487,1113 1.478,1114 1.518,1115 1.582,1116 1.475,1117 1.479,1118 1.936,1119 0.253,1120 4.355,1121 1.371,1122 4.06,1123 4.102,1124 4.033,1125 3.929,1126 5.323,1127 3.949,1128 3.933,1129 3.95,1130 3.901,1131 3.821,1132 4.989,1133 3.838,1134 3.565,1135 3.629,1136 3.489,1137 3.364,1138 4.975,1139 3.387,1140 3.353,1141 3.427,1142 3.245,1143 3.12,1144 4.774,1145 3.14,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.217,1153 3.293,1154 3.011,1155 2.918,1156 4.468,1157 2.92,1158 3.122,1159 3.229,1160 2.993,1161 2.875,1162 4.328,1163 2.873,1164 3.11,1165 3.209,1166 2.89,1167 2.817,1168 4.174,1169 2.843,1170 0.157,1171 0.117,1172 0.226,1173 0.14,1174 0.107,1175 4.543,1176 0.155,1177 3.398,1178 0.032,1179 6.548,1180 0.357,1181 4.054,1182 0.102,1183 3.107,1184 4.491,1185 0.916,1186 10.351,1187 2.945,1188 1.973,1189 1.938,1190 2.037,1191 2.124,1192 1.167,1193 2.099,1194 1.871,1195 1.857,1196 1.945,1197 2.01,1198 1.053,1199 1.989,1200 1.493,1201 1.432,1202 1.692,1203 1.737,1204 0.804,1205 1.724,1206 1.289,1207 1.218,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.57,1215 1.558,1216 0.573,1217 1.556,1218 1.172,1219 1.087,1220 1.53,1221 1.506,1222 0.561,1223 1.526,1224 1.114,1225 1.021,1226 1.496,1227 1.384,1228 0.534,1229 1.428,1230 1.008,1231 0.91,1232 1.289,1233 1.383,1234 0.31,1235 1.364,1236 4.078,1238 5.407,1240 6.944,1242 8.579,1244 10.265,1246 6.679,1250 11.547,1252 0.526,1254 16.188,1257 2.007,1262 30.487,1263 81.69,1264 174.798,1265 210.327,1266 223.082,1267 225.837,1268 234.101,1269 42.25,1270 7.3,1271 121.64,1272 121.64,1273 18,1274 12.538,1275 4.17,1276 3.248,1277 47.048,1278 105,1279 98,1280 0.223,1281 190.588,1282 321.43,1283 456.794,1284 13884,1286 19.552,1287 0.724,1288 0.581,1289 19.552,1290 15.685,1291 12.96,1292 0.447,1293 0.281,1294 7.94,1295 12.139,1296 7.623,1297 6.426,1298 12.96,1299 8.162,1300 11.51,1301 0.281,1302 0.143,1303 11.51,1304 5.877,1305 9.819,1306 0.179,1307 0.075,1308 9.819,1309 4.134,1310 8.382,1311 0.116,1312 0.039,1313 8.382,1314 2.806,1315 6.715,1316 0.075,1317 0.021,1318 6.715,1319 1.874,1320 0.349,1321 83.569,1322 0.232,1323 25.783,1324 0.611,1325 140,1326 466.412,1327 159.154,1328 440.493,1329 604.49,1330 414,1331 166,1332 448.242,1333 186.292,1334 456.796,1335 663.92,1336 422,1337 7.284}
{0 CHEMBL52698,1 1.778,2 10.125,3 4.4,4 19.364,5 99.016,6 10.37,7 0.654,8 3.747,9 3.866,10 3.579,11 3.331,12 4.982,13 3.324,14 4.215,15 4.372,16 4.02,17 3.72,18 5.465,19 3.696,20 4.431,21 4.584,22 4.317,23 3.897,24 5.732,25 3.837,26 4.476,27 4.671,28 4.083,29 3.817,30 5.665,31 3.727,32 4.476,33 4.706,34 3.801,35 3.736,36 5.56,37 3.625,38 4.42,39 4.649,40 3.642,41 3.668,42 5.488,43 3.516,44 4.156,45 4.367,46 3.671,47 3.48,48 5.287,49 3.375,50 3.98,51 4.162,52 3.644,53 3.364,54 5.264,55 3.286,56 0.134,57 0.586,58 3.437,59 2.529,60 13.76,61 2.756,62 0.294,63 0.877,64 9.166,65 4.593,66 21.808,67 5.383,68 0.51,69 1.015,70 20.61,71 5.837,72 40.055,73 6.209,74 0.474,75 1.009,76 21.055,77 6.974,78 37.905,79 8.493,80 0.466,81 0.975,82 19.397,83 6.977,84 44.889,85 8.562,86 0.582,87 0.819,88 30.238,89 7.361,90 53.617,91 8.659,92 0.382,93 0.644,94 21.083,95 5.723,96 33.088,97 7.07,98 0.319,99 0.581,100 10.999,101 3.724,102 29.489,103 3.998,104 37,105 38,106 0.319,107 0.674,108 0.782,109 0.844,110 0.844,111 0.844,112 3.228,113 0.926,114 -4.59,115 -4.51,116 -4.25,119 40.5,124 1,125 1,139 4,141 4,143 3,144 1,147 1,157 2,158 2,159 2,166 1,169 1,170 4,172 3,173 3,178 3,181 3,182 3,184 1,185 1,189 4,193 4,195 1,196 1,197 1,198 2,200 2,201 3,204 2,205 1,207 4,209 1,210 1,212 2,215 2,218 2,220 2,223 1,224 1,229 2,234 2,241 2,246 5,248 1,249 1,251 2,254 3,256 2,268 1,273 734,274 15.533,275 15.533,276 15.533,277 15.533,278 15.533,279 13.339,280 19.285,281 8.797,282 16.197,283 12.774,284 12.774,285 12.774,286 12.774,287 12.774,288 9.508,289 26.988,290 4.177,291 14.091,292 3.432,293 1.456,294 0.852,295 0.507,296 0.507,297 0.507,298 3.902,299 3,301 1,302 1,303 515,304 2.915,307 205.302,311 107.498,314 1.469,315 25.59,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 52,327 243,328 4.542,329 3.512,330 6.503,331 4.038,332 3.088,333 4.491,334 0.916,335 10.181,336 2.937,337 4.389,338 3.158,339 6.365,340 3.929,341 3.026,342 4.075,343 0.172,344 9.56,345 2.721,346 3.863,347 2.994,348 5.939,349 3.524,350 2.625,351 3.263,353 8.179,354 2.32,355 3.657,356 2.623,357 5.291,358 3.227,359 2.299,360 3,362 6.758,363 2.059,364 3.427,365 2.49,366 5.062,367 2.961,368 2.03,369 2.811,371 5.803,372 1.883,373 3.353,374 2.171,375 4.972,376 2.89,377 1.944,378 2.676,380 5.754,381 1.827,382 3.232,383 2.038,384 4.879,385 2.707,386 1.879,387 2.481,389 5.225,390 1.441,391 2.517,392 1.844,393 4.142,394 2.186,395 1.261,396 1.52,398 3.45,399 1.141,400 2.441,401 1.32,402 3.709,403 1.951,404 1.006,405 1.419,407 2.565,408 0.947,409 1.576,410 1.058,411 3.084,412 1.145,413 0.394,414 0.437,415 0.912,416 0.225,417 1.439,418 0.393,419 2.751,420 0.959,421 0.146,422 0.181,423 0.356,424 0.12,425 1,426 0.173,427 2.653,428 0.527,429 -0.347,430 -0.445,431 -0.898,432 -0.229,433 0.984,434 -0.178,435 2.589,436 0.473,437 -0.396,438 -0.491,439 -1.06,440 -0.363,441 0.752,442 -0.273,443 2.462,444 0.415,445 -0.501,446 -0.608,448 -1.281,449 -0.455,450 0.516,451 -0.309,452 2.172,453 0.132,454 -0.815,455 -1.089,457 -2.212,458 -0.606,459 12.043,460 0.502,461 0.826,462 0.034,463 34,464 1.417,465 17.5,466 0.729,467 16.5,468 0.688,469 18.828,470 0.785,471 25.157,472 0.68,473 23.718,474 0.988,475 6.648,476 0.277,477 4.698,478 0.196,479 0.286,481 0.407,485 0.862,486 1.338,487 0.507,488 0.71,489 1.011,490 0.7,491 0.74,492 0.999,493 0.534,494 0.614,495 0.494,496 0.632,497 0.954,498 1.008,499 0.773,500 0.832,501 0.838,502 0.92,503 0.635,504 1.21,505 0.686,506 1.093,507 0.632,508 1.125,509 0.822,510 1.037,511 0.742,512 0.972,513 0.922,514 1.087,515 1.254,516 0.681,517 1.38,518 1.141,519 1.332,520 1.203,521 0.884,522 1.012,523 1.037,524 1.082,525 0.784,526 0.991,527 1.245,528 0.967,529 1.055,530 0.9,531 1.318,532 0.992,533 6.5,534 0.14,535 3.333,536 2.063,537 2.102,538 0.556,539 0.547,540 0.389,541 0.234,542 0.258,543 6154,544 24548,545 1.991,546 35.1,548 9,551 4,555 1.667,556 1.8,557 3.302,558 1.901,560 1,564 65.776,565 1.778,566 3.753,567 4.358,568 4.703,569 4.703,570 4.703,571 2.736,572 4.002,573 4.561,574 3.437,575 948.546,576 7.856,577 11085.3,579 1,581 1,582 192.75,583 1.555,584 4.478,585 0.25,586 0.009,587 0.088,588 0.052,589 0.064,590 0.021,591 0.025,592 0.017,593 0.011,594 0.014,595 0.55,596 0.17,597 1,598 0.691,599 114.011,600 -0.185,601 -0.136,602 -0.016,603 0.051,604 -0.285,605 0.055,606 0.037,607 0.128,608 0.103,609 0.22,610 0.181,611 0.21,613 0.084,614 0.083,615 0.048,616 0.01,617 -0.078,618 0.17,619 -0.224,620 0.096,621 -0.161,622 0.16,623 -0.151,624 -0.038,625 -0.073,626 0.003,627 -0.03,628 -0.076,629 -0.073,630 -0.236,631 0.206,632 -0.287,633 -0.093,634 -0.341,635 -0.138,636 0.047,637 -0.133,638 0.001,639 -0.035,640 0.099,641 0.087,642 -0.236,643 0.071,644 -0.12,645 0.022,646 -0.238,647 -0.093,648 1.544,649 1.965,650 0.667,651 18.465,652 1.027,653 1.132,654 3.36,655 11.292,656 0.741,657 3.296,658 3.664,659 3.912,660 4.143,661 4.369,662 4.382,663 4.419,664 4.431,665 4.575,666 4.554,667 5.921,668 0.709,669 383.69,670 3.296,671 4.86,672 5.714,673 6.603,674 7.471,675 8.359,676 9.233,677 10.119,678 10.995,679 11.881,680 16.2,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,717 3,718 37,719 17,720 1,721 26,723 39,724 15,725 13,726 4,727 2,729 3,730 4,731 3,741 13,742 2,754 1,757 13,758 6,759 4,760 9,761 3,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,807 3,810 24,811 2,816 1,821 1,828 3,836 13.333,837 6.979,838 5.139,839 1.91,840 3.302,841 1.468,842 1.007,843 4.873,844 10.363,845 3.57,846 4.263,847 4.866,848 5.46,849 6.042,850 6.286,851 6.567,852 6.88,853 7.311,854 7.378,855 0.857,856 40,857 8.754,859 3.714,860 7.91,861 16.242,863 13.048,865 2.41,866 57.833,870 105.94,871 72.938,872 119.275,873 117.446,877 72.938,878 223.386,879 119.275,880 8.396,881 2.106,882 103.699,883 50.357,884 23.428,885 4.227,886 105.94,887 117.446,888 105.94,889 192.213,891 117.446,893 105.94,897 11.05,898 130.807,899 167.803,901 105.94,902 119.275,903 190.384,906 105.94,907 26.636,908 49.426,910 233.597,911 105.94,912 119.275,913 190.384,915 0.602,916 0.353,917 0.18,918 0.099,919 19,920 10,921 0.077,922 3,923 1,924 1.125,925 3.5,926 194.752,927 0.125,928 16,929 104.039,933 17.296,934 6.762,935 3.619,936 1.117,937 119.275,938 7.148,939 12.545,943 3.097,945 65.794,946 415.599,947 34.5,956 38,957 41.898,958 0.341,959 0.72,960 0.837,961 0.903,962 0.903,963 0.903,964 4.822,965 1.261,966 5.74,967 5.225,968 4.344,969 4.949,970 0.918,971 6.569,972 4.156,973 6.079,974 1.006,975 7.324,976 3.45,977 4.111,978 4.956,979 0.325,980 7.473,981 3.771,982 7.416,983 0.394,984 9.001,985 2.565,986 5.974,987 7.252,988 0.671,989 10.554,990 5.639,991 8.785,992 0.146,993 10.726,994 0.912,995 6.463,996 7.997,997 0.393,998 12.201,999 5.978,1000 10.178,1001 -0.347,1002 12.481,1003 0.356,1004 7.867,1005 9.834,1006 0.533,1007 14.821,1008 7.387,1009 11.591,1010 -0.396,1011 14.257,1012 -0.898,1013 8.687,1014 10.943,1015 0.384,1016 16.808,1017 8.082,1018 13.018,1019 -0.501,1020 16.048,1021 -1.06,1022 9.912,1023 12.585,1024 0.438,1025 19.244,1026 9.292,1027 3.088,1028 -0.815,1029 17.851,1030 -1.281,1031 10.889,1032 13.882,1033 0.351,1034 21.393,1035 10.168,1036 3.026,1037 10.181,1038 19.663,1039 -2.212,1040 12.043,1041 15.435,1042 0.366,1043 23.75,1044 11.289,1045 2.625,1046 9.56,1047 21.483,1048 4.491,1049 13.092,1050 16.828,1051 0.312,1052 25.977,1053 12.257,1054 2.299,1055 8.179,1056 23.309,1057 4.075,1058 14.22,1059 18.342,1060 0.309,1061 28.301,1062 13.341,1063 2.03,1064 6.758,1065 25.141,1066 3.263,1067 15.303,1068 19.782,1069 0.273,1070 30.566,1071 14.354,1072 1.944,1073 5.803,1074 26.978,1075 3,1076 16.421,1077 21.28,1078 0.262,1079 32.876,1080 15.422,1081 1.879,1082 5.754,1083 28.818,1084 2.811,1085 17.521,1086 22.744,1087 0.236,1088 35.16,1089 16.46,1090 6055,1091 12244,1092 16.531,1093 27.415,1094 39.68,1095 40.977,1096 41.433,1097 39.487,1098 39.395,1099 52.705,1100 2.178,1101 117.485,1102 35.246,1103 5.371,1104 5.512,1105 5.795,1106 5.111,1107 5.088,1108 7.491,1109 1.605,1110 17.075,1111 4.937,1112 15.074,1113 1.526,1114 1.576,1115 1.594,1116 1.519,1117 1.515,1118 2.027,1119 0.084,1120 4.519,1121 1.356,1122 4.057,1123 4.1,1124 4.195,1125 3.936,1126 5.323,1127 3.951,1128 3.916,1129 3.935,1130 4.02,1131 3.859,1132 5.102,1133 3.855,1134 3.55,1135 3.613,1136 3.582,1137 3.369,1138 4.988,1139 3.386,1140 3.319,1141 3.399,1142 3.544,1143 3.117,1144 4.776,1145 3.125,1146 3.115,1147 3.229,1148 3.357,1149 2.849,1150 4.632,1151 2.859,1152 2.916,1153 3.018,1154 3.23,1155 2.826,1156 4.444,1157 2.815,1158 2.901,1159 2.918,1160 3.009,1161 2.719,1162 4.3,1163 2.716,1164 2.775,1165 2.806,1166 2.867,1167 2.666,1168 4.149,1169 2.631,1170 0.175,1171 0.135,1172 0.25,1173 0.155,1174 0.119,1175 4.542,1176 0.173,1177 3.512,1178 0.035,1179 6.503,1180 0.392,1181 4.038,1182 0.113,1183 3.088,1184 4.491,1185 0.916,1186 10.181,1187 2.937,1188 1.973,1189 1.938,1190 2.034,1191 2.123,1192 1.165,1193 2.098,1194 1.87,1195 1.856,1196 1.903,1197 1.956,1198 1.046,1199 1.958,1200 1.485,1201 1.425,1202 1.647,1203 1.689,1204 0.794,1205 1.688,1206 1.266,1207 1.189,1208 1.512,1209 1.515,1210 0.543,1211 1.527,1212 1.008,1213 0.912,1214 1.29,1215 1.383,1216 0.31,1217 1.364,1218 0.92,1219 0.827,1220 1.267,1221 1.189,1222 0.105,1223 1.23,1224 0.849,1225 0.819,1226 1,1227 0.962,1229 1.004,1230 0.727,1231 0.701,1232 0.919,1233 0.921,1235 0.934,1236 3.97,1238 5.323,1240 6.866,1242 8.499,1244 10.178,1246 1.893,1247 18.13,1250 11.453,1252 0.508,1257 1.941,1262 26.245,1263 65.776,1264 138.875,1265 161.24,1266 173.995,1267 173.995,1268 173.995,1269 39.457,1270 7.061,1271 93.95,1272 93.95,1273 18,1274 12.415,1275 4.17,1276 3.248,1277 39.4,1278 87,1279 76,1280 0.227,1281 174.821,1282 288.79,1283 418.322,1284 10305,1285 8.1,1286 17.43,1287 0.726,1288 0.619,1289 18.93,1290 14.862,1291 11.346,1292 0.436,1293 0.309,1294 6.885,1295 10.151,1296 6.596,1297 5.448,1298 12.212,1299 8.026,1300 10.915,1301 0.287,1302 0.169,1303 11.99,1304 6.409,1305 9.021,1306 0.184,1307 0.095,1308 10.518,1309 4.65,1310 7.21,1311 0.116,1312 0.046,1313 8.025,1314 2.865,1315 5.717,1316 0.073,1317 0.024,1318 6.299,1319 1.891,1320 0.356,1321 80.065,1322 0.246,1323 23.326,1324 0.625,1325 128,1326 401.815,1327 185.077,1328 487.976,1329 637.57,1330 450,1331 151,1332 407.194,1333 206.469,1334 445.052,1335 652.26,1336 416,1337 7.06}
{0 CHEMBL52777,1 1.613,2 10.727,3 2.037,4 4.151,5 86.83,6 7.799,7 0.708,8 3.763,9 3.9,10 3.358,11 3.24,12 4.974,13 3.254,14 4.218,15 4.39,16 3.694,17 3.579,18 5.417,19 3.576,20 4.388,21 4.587,22 3.723,23 3.674,24 5.549,25 3.651,26 4.399,27 4.614,28 3.533,29 3.636,30 5.492,31 3.558,32 4.413,33 4.678,34 3.351,35 3.547,36 5.407,37 3.428,38 4.279,39 4.564,40 3.19,41 3.359,42 5.245,43 3.252,44 4.02,45 4.265,46 3.085,47 3.222,48 4.987,49 3.148,50 3.914,51 4.14,52 3.103,53 3.164,54 4.992,55 3.088,56 0.079,57 0.619,58 7.409,59 2.724,60 11.415,61 3.682,62 0.239,63 0.907,64 13.133,65 4.682,66 23.744,67 6.321,68 0.317,69 1.04,70 16.144,71 5.038,72 28.89,73 7.125,74 0.241,75 0.996,76 16.663,77 5.692,78 28.523,79 8.214,80 0.286,81 0.928,82 18.634,83 5.888,84 35.024,85 9.07,86 0.331,87 0.778,88 17.218,89 4.907,90 34.687,91 7.547,92 0.212,93 0.634,94 12.42,95 3.747,96 19.892,97 5.504,98 0.157,99 0.588,100 10.554,101 3.811,102 17.872,103 5.539,104 11,105 33,106 0.288,107 0.641,108 0.776,109 0.849,110 0.849,111 0.849,112 3.146,113 0.84,114 -3.1,115 -3.1,116 -2.98,119 39.5,124 1,125 1,139 6,141 2,143 3,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 4,172 3,173 3,175 2,178 2,181 2,182 4,184 1,185 2,187 3,189 2,193 1,195 1,196 1,197 1,198 3,200 2,204 2,205 1,207 3,209 1,210 2,212 2,215 2,218 2,221 2,224 2,225 1,228 1,229 4,241 2,245 1,246 5,250 1,251 2,253 1,256 2,260 5,265 2,270 2,273 628,274 14.903,275 14.903,276 14.903,277 14.903,278 14.903,279 12.843,280 20.35,281 8.74,282 15.372,283 11.782,284 11.782,285 11.782,286 11.782,287 11.782,288 8.644,289 27.999,290 4.104,291 12.472,292 3.635,293 1.658,294 0.902,295 0.494,296 0.494,297 0.494,298 3.829,300 1,301 1,302 1,303 506,304 2.55,307 185.24,311 97.065,314 1.57,315 18.637,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48,327 236,328 4.541,329 3.132,330 6.502,331 4.031,332 3.079,333 4.491,334 0.86,335 10.175,336 2.933,337 4.039,338 2.891,339 5.496,340 3.623,341 2.66,342 3.636,343 0.657,344 7.384,345 2.559,346 3.771,347 2.694,348 5.31,349 3.361,350 2.414,351 3.233,353 6.871,354 2.287,355 3.484,356 2.406,357 5.091,358 3.099,359 2.167,360 2.811,362 6.222,363 2.012,364 3.426,365 2.17,366 5.061,367 2.961,368 2.029,369 2.781,371 5.8,372 1.884,373 3.351,374 2.035,375 4.961,376 2.893,377 1.946,378 2.666,380 5.73,381 1.837,382 2.5,383 1.226,384 3.71,385 2,386 1.01,387 1.5,389 2.565,390 1,391 2.454,392 1.058,393 3.414,394 1.961,395 1,396 1.435,398 2.275,399 0.958,400 2.007,401 1,402 3.293,403 1.747,404 0.834,405 0.945,407 1.875,408 0.757,409 1.64,410 0.887,411 2.807,412 1.349,413 0.468,414 0.528,415 0.772,416 0.409,417 1.342,418 0.22,419 2.671,420 0.944,421 0.021,422 0.027,423 0.049,424 0.019,425 0.976,426 -0.147,427 2.531,428 0.514,429 -0.414,430 -0.522,431 -0.91,432 -0.382,433 0.82,434 -0.299,435 2.37,436 0.44,437 -0.483,438 -0.6,439 -1.166,440 -0.443,441 0.573,442 -0.562,443 2.05,444 0.133,445 -0.814,446 -1.027,448 -2.025,449 -0.763,450 0.5,451 -0.734,452 2,453 0.099,454 -0.843,455 -1.127,457 -2.42,458 -0.795,459 10.233,460 0.465,461 0.52,462 0.024,463 33,464 1.5,465 18,466 0.818,467 15,468 0.682,469 12.831,470 0.583,471 23.367,472 0.615,473 22.276,474 1.013,475 6.72,476 0.305,477 3.932,478 0.179,479 0.127,481 0.342,485 1.107,486 1.312,487 0.798,488 0.995,489 1.278,490 0.854,491 1.025,492 1.077,493 0.779,494 0.949,495 0.64,496 0.857,497 1.129,498 1.023,499 1.02,500 0.97,501 0.93,502 0.972,503 0.915,504 1.248,505 1.141,506 1.288,507 0.844,508 1.264,509 0.634,510 1.059,511 1.013,512 1.122,513 0.952,514 1.127,515 0.874,516 0.684,517 0.975,518 0.801,519 0.986,520 0.881,521 1.193,522 0.854,523 1.051,524 0.848,525 1.01,526 0.91,527 0.551,528 1.097,529 0.847,530 1.164,531 0.636,532 1.081,533 5,534 0.132,535 2.222,536 1.063,537 1.48,538 0.472,539 0.221,540 0.311,541 0.164,542 0.107,543 5336,544 15438,545 2.07,546 42.1,548 11,551 5,555 1.638,556 1.941,557 3.368,558 2.779,559 1,560 1,562 1,564 61.308,565 1.613,566 3.59,567 4.346,568 4.754,569 4.754,570 4.754,571 2.88,572 4.278,573 4.43,574 3.498,575 808.036,576 7.576,577 9046.22,578 1,579 1,581 1,582 199.421,583 1.395,584 4.392,585 0.208,586 0.012,587 0.067,588 0.032,589 0.057,590 0.022,591 0.012,592 0.018,593 0.01,594 0.007,595 0.447,596 0.33,597 1,598 0.797,599 102.682,600 -0.192,601 -0.097,602 0.013,603 0.023,604 -0.317,605 0.059,606 0.049,607 0.026,608 0.113,609 0.057,610 0.194,611 0.078,612 -0.091,613 0.077,614 -0.107,615 -0.019,616 -0.045,617 -0.061,618 -0.073,619 -0.224,620 -0.225,621 -0.29,622 0.003,623 -0.292,624 0.081,625 -0.131,626 -0.035,627 -0.132,628 -0.017,629 -0.109,630 0.01,631 0.218,632 0.054,633 0.149,634 -0.047,635 0.118,636 -0.226,637 0.103,638 -0.071,639 0.136,640 -0.2,641 0.076,642 0.234,643 -0.13,644 0.091,645 -0.127,646 0.24,647 -0.059,648 1.518,649 1.837,650 0.727,651 18.231,652 1.009,653 1.139,654 1.871,655 3.501,656 0.666,657 3.219,658 3.526,659 3.761,660 3.989,661 4.234,662 4.22,663 4.234,664 4.304,665 4.419,666 4.369,667 6.066,668 0.644,669 296.37,670 3.219,671 4.745,672 5.58,673 6.444,674 7.295,675 8.163,676 9.02,677 9.889,678 10.75,679 11.621,680 15.8,684 2,685 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,712 1,716 1,718 38,719 17,720 1,721 24,723 40,724 15,725 13,726 2,727 4,729 3,730 4,741 13,742 2,753 1,754 1,757 16,758 7,759 5,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 1,810 22,811 2,816 1,817 1,818 1,829 2.6,834 1,836 11.333,837 6.933,838 4.889,839 1.946,840 3.313,841 1.479,842 1.009,843 4.045,844 10.226,845 3.512,846 4.159,847 4.76,848 5.355,849 5.958,850 6.167,851 6.462,852 6.807,853 7.218,854 7.236,855 1,856 33,857 8.028,859 3.325,860 7.78,861 15.087,863 11.875,865 2.28,866 50.167,870 129.482,871 89.118,872 134.162,874 11,877 89.118,878 140.482,879 134.162,880 10.883,881 2.106,882 122.652,883 68.367,884 26.045,885 4.227,886 129.482,888 129.482,889 223.28,890 11,893 129.482,894 11,897 11.05,898 143.863,899 68.367,901 129.482,902 145.162,903 89.118,906 129.482,907 21.378,908 67.741,909 18.011,910 127.151,911 129.482,912 145.162,913 89.118,915 0.579,916 0.335,917 0.176,918 0.099,919 16,920 7,921 0.1,922 4,923 1,924 1.125,925 3.505,926 166.281,927 0.125,928 16,929 94.107,933 14.506,934 6.135,935 3.267,936 1.196,937 145.162,938 11.387,939 12.505,943 3.064,945 83.805,946 363.762,947 32.5,956 38.356,957 43.275,958 0.307,959 0.684,960 0.828,961 0.906,962 0.906,963 0.906,964 4.721,965 1,966 5.557,967 2.565,968 4.205,969 4.844,970 1.207,971 6.326,972 4.098,973 5.941,974 0.834,975 7.091,976 2.275,977 3.761,978 4.691,980 7.125,981 3.601,982 7.251,983 0.468,984 8.717,985 1.875,986 5.765,987 7.115,988 0.903,989 10.178,990 5.563,991 8.597,992 0.021,993 10.396,994 0.772,995 6.089,996 7.754,998 11.78,999 5.829,1000 9.969,1001 -0.414,1002 12.11,1003 0.049,1004 7.573,1005 9.664,1006 0.678,1007 14.366,1008 7.28,1009 11.362,1010 -0.483,1011 13.848,1012 -0.91,1013 8.274,1014 10.708,1016 16.35,1017 7.924,1018 12.772,1019 -0.814,1020 15.605,1021 -1.166,1022 9.536,1023 12.392,1024 0.512,1025 18.771,1026 9.154,1027 3.079,1028 -0.843,1029 17.378,1030 -2.025,1031 10.437,1032 13.658,1034 20.94,1035 9.999,1036 2.66,1037 10.175,1038 19.166,1039 -2.42,1040 11.604,1041 15.235,1042 0.387,1043 23.298,1044 11.13,1045 2.414,1046 7.384,1047 20.966,1048 4.491,1049 12.609,1050 16.618,1052 25.551,1053 12.081,1054 2.167,1055 6.871,1056 22.776,1057 3.636,1058 13.737,1059 18.149,1060 0.293,1061 27.885,1062 13.169,1063 2.029,1064 6.222,1065 24.596,1066 3.233,1067 14.796,1068 19.591,1070 30.175,1071 14.175,1072 1.946,1073 5.8,1074 26.424,1075 2.811,1076 15.911,1077 21.102,1078 0.221,1079 32.501,1080 15.247,1081 1.01,1082 5.73,1083 28.26,1084 2.781,1085 16.997,1086 22.574,1088 34.807,1089 16.282,1090 5188,1091 8941,1092 16.008,1093 25.296,1094 35.343,1095 35.772,1096 36.293,1097 35.222,1098 35.255,1099 48.104,1100 3.035,1101 99.436,1102 33.314,1103 5.365,1104 5.132,1105 6.057,1106 5.104,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.933,1112 10.418,1113 1.473,1114 1.491,1115 1.512,1116 1.468,1117 1.469,1118 2.004,1119 0.126,1120 4.143,1121 1.388,1122 4.054,1123 4.097,1124 4.028,1125 3.924,1126 5.323,1127 3.944,1128 3.902,1129 3.932,1130 3.846,1131 3.814,1132 4.989,1133 3.818,1134 3.531,1135 3.598,1136 3.459,1137 3.34,1138 4.882,1139 3.362,1140 3.286,1141 3.352,1142 3.156,1143 3.028,1144 4.772,1145 3.049,1146 3.132,1147 3.231,1148 3.01,1149 2.895,1150 4.43,1151 2.899,1152 3.102,1153 3.211,1154 2.925,1155 2.797,1156 4.216,1157 2.83,1158 2.854,1159 2.925,1160 2.687,1161 2.735,1162 3.916,1163 2.715,1164 2.746,1165 2.828,1166 2.601,1167 2.581,1168 3.842,1169 2.573,1170 0.189,1171 0.13,1172 0.271,1173 0.168,1174 0.128,1175 4.541,1176 0.187,1177 3.132,1178 0.036,1179 6.502,1180 0.424,1181 4.031,1182 0.122,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.933,1188 1.972,1189 1.936,1190 2.039,1191 2.122,1192 1.136,1193 2.098,1194 1.875,1195 1.849,1196 1.974,1197 1.99,1198 1.046,1199 1.988,1200 1.461,1201 1.4,1202 1.626,1203 1.694,1204 0.742,1205 1.68,1206 1.216,1207 1.148,1208 1.559,1209 1.523,1210 0.571,1211 1.532,1212 1.101,1213 1.014,1214 1.378,1215 1.383,1216 0.333,1217 1.384,1218 0.995,1219 0.891,1220 1.272,1221 1.368,1222 0.218,1223 1.364,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1228 0.07,1229 1.107,1230 0.725,1231 0.662,1232 0.966,1233 0.963,1235 0.97,1236 3.892,1238 5.198,1240 6.706,1242 8.305,1244 9.954,1246 1.64,1250 11.406,1252 0.562,1253 3.283,1254 5.125,1262 24.477,1263 61.308,1264 136.428,1265 165.157,1266 180.666,1267 180.666,1268 180.666,1269 26.782,1270 6.913,1271 111.97,1272 111.97,1273 18,1274 12.165,1275 4.17,1276 3.248,1277 34.768,1278 80,1279 86,1280 0.214,1281 153.818,1282 251.95,1283 367.076,1284 8904,1286 15.527,1287 0.706,1288 0.549,1289 15.527,1290 12.076,1291 10.652,1292 0.444,1293 0.28,1294 6.594,1295 10.165,1296 6.436,1297 5.374,1298 10.652,1299 6.721,1300 9.529,1301 0.289,1302 0.143,1303 9.529,1304 4.719,1305 7.894,1306 0.188,1307 0.076,1308 7.894,1309 3.208,1310 6.433,1311 0.121,1312 0.04,1313 6.433,1314 2.096,1315 5.234,1316 0.077,1317 0.02,1318 5.234,1319 1.393,1320 0.34,1321 67.285,1322 0.25,1323 22.009,1324 0.569,1325 114,1326 343.628,1327 127.036,1328 336.941,1329 467.29,1330 316,1331 132,1332 353.376,1333 144.594,1334 359.65,1335 520.73,1336 337,1337 7.137}
{0 CHEMBL52836,1 1.613,2 10.091,3 2.037,4 4.151,5 86.83,6 7.799,7 0.708,8 3.763,9 3.9,10 3.358,11 3.24,12 4.974,13 3.254,14 4.218,15 4.39,16 3.694,17 3.579,18 5.418,19 3.576,20 4.388,21 4.587,22 3.723,23 3.674,24 5.544,25 3.651,26 4.4,27 4.614,28 3.571,29 3.637,30 5.507,31 3.564,32 4.424,33 4.679,34 3.389,35 3.556,36 5.428,37 3.455,38 4.315,39 4.589,40 3.205,41 3.408,42 5.296,43 3.3,44 4.115,45 4.383,46 3.144,47 3.287,48 5.045,49 3.189,50 3.958,51 4.19,52 3.144,53 3.178,54 5.028,55 3.118,56 0.079,57 0.619,58 7.409,59 2.724,60 11.415,61 3.682,62 0.239,63 0.907,64 13.133,65 4.682,66 23.777,67 6.321,68 0.317,69 1.04,70 16.144,71 5.038,72 28.665,73 7.125,74 0.262,75 0.996,76 16.657,77 5.71,78 28.502,79 8.297,80 0.286,81 0.939,82 18.731,83 5.743,84 35.542,85 8.664,86 0.364,87 0.812,88 17.54,89 4.966,90 35.978,91 7.481,92 0.216,93 0.669,94 14.181,95 4.62,96 22.227,97 6.986,98 0.153,99 0.605,100 11.344,101 3.835,102 18.723,103 5.55,104 11,105 33,106 0.288,107 0.641,108 0.795,109 0.887,110 0.887,111 0.887,112 3.146,113 0.84,114 -3.1,115 -3.1,116 -2.98,119 39.5,124 1,125 1,139 6,141 2,143 3,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 4,172 3,173 3,175 2,178 3,181 2,182 3,184 1,185 2,187 2,189 1,193 2,195 1,196 2,197 1,198 4,200 2,204 2,205 1,207 3,209 1,210 1,212 2,215 2,218 2,221 1,224 2,225 1,228 1,229 3,233 1,234 2,241 2,246 5,250 1,251 2,253 1,254 1,256 2,260 2,265 1,270 1,273 616,274 14.903,275 14.903,276 14.903,277 14.903,278 14.903,279 12.843,280 20.35,281 8.778,282 15.372,283 11.799,284 11.799,285 11.799,286 11.799,287 11.799,288 8.65,289 29.704,290 4.125,291 12.485,292 3.635,293 1.658,294 0.796,295 0.283,296 0.283,297 0.283,298 3.829,300 1,301 1,302 1,303 475,304 2.55,307 182.459,311 94.702,314 1.463,315 18.787,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48,327 222,328 4.541,329 3.132,330 6.502,331 4.031,332 3.079,333 4.491,334 0.86,335 10.175,336 2.933,337 4.07,338 2.93,339 5.595,340 3.657,341 2.696,342 3.67,343 0.657,344 7.711,345 2.588,346 3.769,347 2.672,348 5.311,349 3.356,350 2.409,351 3.232,353 6.879,354 2.284,355 3.432,356 2.348,357 5.062,358 3.018,359 2.094,360 2.811,362 5.873,363 1.93,364 3.406,365 2.166,366 4.989,367 2.952,368 2.015,369 2.717,371 5.795,372 1.881,373 3.312,374 2.033,375 4.921,376 2.879,377 1.933,378 2.581,380 5.664,381 1.822,382 2.689,383 1.369,384 3.71,385 2.222,386 1.241,387 1.774,389 2.675,390 1.215,391 2.454,392 1.059,393 3.509,394 1.959,395 1.008,396 1.434,398 2.565,399 0.956,400 1.91,401 0.94,402 3.244,403 1.633,404 0.695,405 0.816,407 1.667,408 0.65,409 1.583,410 0.892,411 2.751,412 1.293,413 0.427,414 0.48,415 0.622,416 0.366,417 1.368,418 0.177,419 2.68,420 0.954,421 0.022,422 0.029,423 0.056,424 0.021,425 0.976,426 -0.284,427 2.562,428 0.496,429 -0.432,430 -0.561,431 -1.128,432 -0.399,433 0.787,434 -0.335,435 2.426,436 0.4,437 -0.546,438 -0.679,439 -1.294,440 -0.516,441 0.595,442 -0.421,443 2.105,444 0.162,445 -0.781,446 -0.982,448 -1.843,449 -0.722,450 0.557,451 -0.717,452 1.692,453 0.132,454 -0.815,455 -1.093,457 -2.193,458 -0.77,459 10.233,460 0.465,461 0.52,462 0.024,463 33,464 1.5,465 18,466 0.818,467 15,468 0.682,469 12.926,470 0.588,471 23.367,472 0.615,473 22.377,474 1.017,475 6.72,476 0.305,477 3.932,478 0.179,479 0.127,481 0.342,485 1.107,486 1.312,487 0.798,488 0.995,489 1.278,490 0.854,491 1.025,492 1.077,493 0.779,494 0.949,495 0.638,496 0.857,497 1.129,498 1.023,499 1.02,500 0.97,501 0.955,502 0.972,503 0.789,504 1.248,505 1.071,506 1.285,507 0.754,508 1.24,509 0.954,510 1.078,511 1.081,512 1.101,513 1.069,514 1.111,515 1.072,516 0.676,517 1.137,518 0.847,519 1.121,520 0.973,521 0.622,522 0.846,523 0.782,524 0.882,525 0.629,526 0.861,527 0.868,528 1.053,529 0.827,530 1.037,531 0.768,532 0.951,533 5,534 0.099,535 2,536 1.313,537 1.48,538 0.417,539 0.264,540 0.28,541 0.135,542 0.171,543 5208,544 15006,545 2.07,546 42.1,548 11,551 5,555 1.64,556 1.941,557 3.305,558 2.779,559 1,560 1,562 1,564 61.308,565 1.613,566 3.59,567 4.451,568 4.965,569 4.965,570 4.965,571 2.738,572 4.369,573 4.433,574 3.433,575 793.09,576 7.589,577 8849.12,578 1,579 1,581 1,582 199.421,583 1.395,584 4.392,585 0.208,586 0.008,587 0.061,588 0.04,589 0.055,590 0.019,591 0.015,592 0.016,593 0.008,594 0.011,595 0.44,596 0.33,597 1,598 0.797,599 102.198,600 -0.192,601 -0.097,602 0.013,603 0.023,604 -0.317,605 0.059,606 0.049,607 0.026,608 0.113,609 0.057,610 0.196,611 0.078,612 -0.091,613 0.077,614 -0.107,615 -0.019,616 -0.071,617 -0.061,618 0.057,619 -0.224,620 -0.153,621 -0.287,622 0.095,623 -0.267,624 -0.091,625 -0.142,626 -0.099,627 -0.122,628 -0.096,629 -0.115,630 -0.103,631 0.252,632 -0.12,633 0.095,634 -0.179,635 0.003,636 0.141,637 0.041,638 0.217,639 0.143,640 0.129,641 0.191,642 0.041,643 -0.108,644 0.139,645 -0.017,646 0.15,647 0.062,648 1.519,649 1.841,650 0.727,651 17.273,652 1.009,653 1.139,654 1.871,655 3.501,656 0.666,657 3.219,658 3.526,659 3.761,660 4.007,661 4.234,662 4.205,663 4.248,664 4.304,665 4.419,666 4.407,667 5.878,668 0.644,669 296.37,670 3.219,671 4.745,672 5.58,673 6.447,674 7.298,675 8.168,676 9.025,677 9.897,678 10.757,679 11.63,680 15.8,684 2,685 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,712 1,716 1,718 38,719 17,720 1,721 24,723 40,724 15,725 13,726 2,727 4,729 3,730 4,741 13,742 2,753 1,754 1,757 16,758 7,759 5,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 1,810 22,811 2,816 1,817 1,818 1,829 2.6,834 1,836 11.333,837 6.933,838 4.889,839 1.946,840 3.331,841 1.482,842 1.009,843 4.045,844 10.244,845 3.512,846 4.159,847 4.76,848 5.366,849 5.952,850 6.159,851 6.471,852 6.807,853 7.22,854 7.255,855 0.857,856 33,857 8.029,859 3.327,860 7.78,861 15.087,863 11.875,865 2.28,866 50.167,870 129.482,871 89.118,872 134.162,874 11,877 89.118,878 140.482,879 134.162,880 10.883,881 2.106,882 122.652,883 68.367,884 26.045,885 4.227,886 129.482,888 129.482,889 223.28,890 11,893 129.482,894 11,897 11.05,898 143.863,899 68.367,901 129.482,902 145.162,903 89.118,906 129.482,907 21.378,908 67.741,909 18.011,910 127.151,911 129.482,912 145.162,913 89.118,915 0.577,916 0.335,917 0.181,918 0.101,919 16,920 7,921 0.1,922 4,923 1,924 1.125,925 3.482,926 167.265,927 0.125,928 16,929 98.107,933 14.506,934 6.135,935 3.267,936 1.189,937 145.162,938 11.396,939 12.509,943 3.002,945 83.805,946 363.762,947 32.5,956 38.356,957 43.275,958 0.307,959 0.684,960 0.848,961 0.946,962 0.946,963 0.946,964 4.721,965 1.008,966 5.557,967 2.675,968 4.205,969 4.844,970 1.207,971 6.33,972 4.098,973 5.941,974 0.695,975 7.091,976 2.565,977 3.761,978 4.691,980 7.125,981 3.601,982 7.251,983 0.427,984 8.718,985 1.667,986 5.765,987 7.115,988 0.903,989 10.192,990 5.563,991 8.597,992 0.022,993 10.398,994 0.622,995 6.089,996 7.754,998 11.792,999 5.829,1000 9.97,1001 -0.432,1002 12.113,1003 0.056,1004 7.576,1005 9.666,1006 0.678,1007 14.387,1008 7.283,1009 11.363,1010 -0.546,1011 13.853,1012 -1.128,1013 8.281,1014 10.713,1016 16.37,1017 7.932,1018 12.774,1019 -0.781,1020 15.612,1021 -1.294,1022 9.546,1023 12.397,1024 0.512,1025 18.792,1026 9.163,1027 3.079,1028 -0.815,1029 17.387,1030 -1.843,1031 10.451,1032 13.665,1034 20.958,1035 10.013,1036 2.696,1037 10.175,1038 19.176,1039 -2.193,1040 11.618,1041 15.242,1042 0.387,1043 23.315,1044 11.144,1045 2.409,1046 7.711,1047 20.977,1048 4.491,1049 12.626,1050 16.626,1052 25.565,1053 12.098,1054 2.094,1055 6.879,1056 22.789,1057 3.67,1058 13.755,1059 18.156,1060 0.293,1061 27.898,1062 13.187,1063 2.015,1064 5.873,1065 24.609,1066 3.232,1067 14.815,1068 19.598,1070 30.185,1071 14.194,1072 1.933,1073 5.795,1074 26.438,1075 2.811,1076 15.93,1077 21.108,1078 0.221,1079 32.509,1080 15.266,1081 1.241,1082 5.664,1083 28.273,1084 2.717,1085 17.017,1086 22.579,1088 34.814,1089 16.301,1090 5068,1091 8721,1092 16.008,1093 25.296,1094 35.277,1095 35.769,1096 36.188,1097 35.191,1098 35.237,1099 48.069,1100 3.035,1101 99.363,1102 33.294,1103 5.367,1104 5.132,1105 6.098,1106 5.104,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.933,1112 10.328,1113 1.47,1114 1.49,1115 1.508,1116 1.466,1117 1.468,1118 2.003,1119 0.126,1120 4.14,1121 1.387,1122 4.054,1123 4.097,1124 4.028,1125 3.924,1126 5.323,1127 3.944,1128 3.903,1129 3.932,1130 3.847,1131 3.814,1132 4.989,1133 3.818,1134 3.529,1135 3.597,1136 3.457,1137 3.339,1138 4.882,1139 3.361,1140 3.273,1141 3.34,1142 3.132,1143 3.012,1144 4.771,1145 3.03,1146 3.16,1147 3.246,1148 3.015,1149 2.935,1150 4.42,1151 2.938,1152 3.11,1153 3.226,1154 2.975,1155 2.806,1156 4.226,1157 2.844,1158 2.818,1159 2.892,1160 2.687,1161 2.68,1162 3.949,1163 2.67,1164 2.742,1165 2.819,1166 2.549,1167 2.595,1168 3.892,1169 2.575,1170 0.189,1171 0.131,1172 0.271,1173 0.168,1174 0.128,1175 4.541,1176 0.187,1177 3.132,1178 0.036,1179 6.502,1180 0.424,1181 4.031,1182 0.122,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.933,1188 1.972,1189 1.936,1190 2.038,1191 2.122,1192 1.136,1193 2.098,1194 1.875,1195 1.849,1196 1.975,1197 1.99,1198 1.046,1199 1.988,1200 1.46,1201 1.399,1202 1.624,1203 1.692,1204 0.742,1205 1.678,1206 1.208,1207 1.137,1208 1.564,1209 1.519,1210 0.572,1211 1.532,1212 1.128,1213 1.047,1214 1.386,1215 1.388,1216 0.336,1217 1.4,1218 0.997,1219 0.895,1220 1.272,1221 1.383,1222 0.18,1223 1.364,1224 0.828,1225 0.762,1226 1.111,1227 1.021,1228 0.111,1229 1.052,1230 0.753,1231 0.687,1232 1.021,1233 0.959,1235 0.983,1236 3.892,1238 5.198,1240 6.706,1242 8.307,1244 9.958,1246 1.637,1250 11.411,1252 0.549,1253 3.282,1254 5.191,1262 24.477,1263 61.308,1264 136.428,1265 169.157,1266 188.666,1267 188.666,1268 188.666,1269 26.894,1270 6.913,1271 111.97,1272 111.97,1273 18,1274 12.174,1275 4.17,1276 3.248,1277 34.681,1278 78,1279 74,1280 0.219,1281 153.818,1282 251.95,1283 367.076,1284 8904,1286 15.527,1287 0.706,1288 0.549,1289 15.527,1290 12.076,1291 10.652,1292 0.444,1293 0.28,1294 6.594,1295 10.165,1296 6.436,1297 5.375,1298 10.652,1299 6.721,1300 9.541,1301 0.289,1302 0.143,1303 9.541,1304 4.723,1305 7.819,1306 0.186,1307 0.076,1308 7.819,1309 3.188,1310 6.54,1311 0.121,1312 0.039,1313 6.54,1314 2.12,1315 5.299,1316 0.078,1317 0.021,1318 5.299,1319 1.415,1320 0.347,1321 67.285,1322 0.25,1323 21.879,1324 0.591,1325 114,1326 343.628,1327 127.036,1328 337.006,1329 467.31,1330 316,1331 132,1332 353.376,1333 144.594,1334 359.786,1335 521.01,1336 337,1337 6.699}
{0 CHEMBL52930,1 1.778,2 10.042,3 4.4,4 19.364,5 99.016,6 10.37,7 0.654,8 3.747,9 3.866,10 3.579,11 3.331,12 4.982,13 3.324,14 4.215,15 4.372,16 4.02,17 3.72,18 5.471,19 3.696,20 4.43,21 4.584,22 4.17,23 3.875,24 5.676,25 3.825,26 4.492,27 4.669,28 4.395,29 3.911,30 5.773,31 3.815,32 4.503,33 4.701,34 3.724,35 3.773,36 5.637,37 3.639,38 4.392,39 4.654,40 3.748,41 3.61,42 5.445,43 3.488,44 4.164,45 4.366,46 3.659,47 3.519,48 5.278,49 3.403,50 3.98,51 4.162,52 3.644,53 3.364,54 5.233,55 3.286,56 0.134,57 0.586,58 3.437,59 2.529,60 13.76,61 2.756,62 0.294,63 0.877,64 9.166,65 4.593,66 21.123,67 5.383,68 0.477,69 1,70 15.937,71 5.732,72 35.488,73 6.252,74 0.523,75 0.995,76 26.443,77 7.221,78 46.002,79 8.376,80 0.588,81 0.948,82 29.241,83 7.401,84 54.784,85 8.313,86 0.492,87 0.844,88 20.831,89 6.898,90 44.285,91 8.94,92 0.375,93 0.638,94 22.687,95 5.862,96 33.337,97 6.982,98 0.319,99 0.581,100 10.999,101 3.724,102 30.828,103 3.998,104 37,105 38,106 0.319,107 0.674,108 0.782,109 0.844,110 0.844,111 0.844,112 3.229,113 0.926,114 -4.59,115 -4.51,116 -4.25,119 40.5,124 1,125 1,139 4,141 4,143 3,144 1,147 1,157 2,158 2,159 2,166 1,169 1,170 2,172 3,173 3,178 5,181 3,182 7,184 1,185 1,193 2,195 1,196 1,197 1,198 2,200 2,201 5,204 2,205 1,207 2,209 1,210 1,212 2,218 2,220 2,221 4,223 1,224 1,229 4,241 4,246 1,248 1,249 1,254 1,260 8,265 4,268 1,270 4,273 726,274 15.533,275 15.533,276 15.533,277 15.533,278 15.533,279 13.339,280 18.02,281 8.854,282 16.22,283 12.806,284 12.806,285 12.806,286 12.806,287 12.806,288 9.522,289 22.367,290 4.2,291 14.087,292 3.432,293 1.456,294 0.852,295 0.507,296 0.507,297 0.507,298 3.902,299 3,301 1,302 1,303 511,304 2.915,307 202.834,311 105.406,314 1.378,315 26.198,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 52,327 241,328 4.544,329 3.504,330 6.693,331 4.058,332 3.132,333 4.491,334 0.916,335 10.672,336 2.939,337 4.441,338 3.132,339 6.501,340 4.002,341 3.065,342 4.108,343 0.172,344 10.172,345 2.792,346 3.796,347 2.869,348 5.425,349 3.403,350 2.47,351 3.244,353 7.162,354 2.299,355 3.555,356 2.639,357 5.131,358 3.112,359 2.219,360 2.876,362 6.243,363 1.943,364 3.427,365 2.623,366 5.062,367 2.96,368 2.034,369 2.811,371 5.802,372 1.88,373 3.363,374 2.256,375 4.972,376 2.892,377 1.958,378 2.684,380 5.753,381 1.797,382 3.232,383 2.109,384 4.879,385 2.707,386 1.879,387 2.481,389 5.225,390 1.441,391 2.741,392 1.973,393 4.506,394 2.417,395 1.559,396 1.77,398 4.216,399 1.267,400 2.45,401 1.058,402 3.709,403 1.953,404 1.006,405 1.428,407 2.565,408 0.949,409 1.543,410 0.731,411 3.125,412 1.163,413 0.256,414 0.31,415 0.676,416 0.218,417 1.242,418 0.341,419 2.741,420 0.807,421 -0.034,422 -0.041,423 -0.088,424 -0.025,425 1,426 0.282,427 2.653,428 0.51,429 -0.347,430 -0.445,431 -0.898,432 -0.229,433 0.979,434 0.173,435 2.579,436 0.473,437 -0.412,438 -0.514,439 -1.083,440 -0.328,441 0.73,442 -0.204,443 2.454,444 0.401,445 -0.515,446 -0.614,448 -1.301,449 -0.378,450 0.514,451 -0.308,452 2.17,453 0.132,454 -0.69,455 -0.751,457 -1.51,458 -0.471,459 12.043,460 0.502,461 0.826,462 0.034,463 34,464 1.417,465 17.5,466 0.729,467 16.5,468 0.688,469 19.009,470 0.792,471 25.157,472 0.68,473 23.836,474 0.993,475 6.648,476 0.277,477 4.698,478 0.196,479 0.286,481 0.407,485 0.862,486 1.338,487 0.507,488 0.71,489 1.011,490 0.7,491 0.74,492 0.999,493 0.534,494 0.614,495 0.473,496 0.632,497 1.038,498 1.023,499 0.993,500 0.972,501 1.014,502 0.98,503 0.709,504 1.161,505 0.602,506 0.885,507 0.566,508 0.964,509 1.328,510 1.068,511 1.482,512 1.455,513 1.448,514 1.477,515 0.586,516 0.678,517 0.563,518 0.705,519 0.682,520 0.826,521 1.206,522 0.976,523 1.285,524 1.097,525 1.057,526 1.03,527 1.245,528 0.967,529 1.055,530 0.9,531 1.431,532 0.992,533 6.5,534 0.181,535 2.889,536 2.813,537 1.782,538 0.778,539 0.465,540 0.358,541 0.398,542 0.127,543 6026,544 23780,545 1.991,546 35.1,548 9,551 4,555 1.668,556 1.8,557 3.254,558 1.901,560 1,564 65.776,565 1.778,566 3.753,567 4.358,568 4.703,569 4.703,570 4.703,571 2.651,572 4.085,573 4.561,574 3.398,575 937.785,576 7.863,577 10874.4,579 1,581 1,582 192.75,583 1.555,584 4.478,585 0.25,586 0.016,587 0.076,588 0.07,589 0.048,590 0.031,591 0.019,592 0.016,593 0.019,594 0.006,595 0.552,596 0.17,597 1,598 0.691,599 113.528,600 -0.185,601 -0.136,602 -0.016,603 0.051,604 -0.285,605 0.055,606 0.037,607 0.128,608 0.103,609 0.22,610 0.203,611 0.21,612 -0.086,613 0.069,614 -0.143,615 -0.096,616 -0.169,617 -0.139,618 0.208,619 -0.183,620 0.334,621 0.082,622 0.321,623 0.004,624 -0.333,625 -0.124,626 -0.459,627 -0.467,628 -0.439,629 -0.495,630 0.208,631 0.23,632 0.231,633 0.292,634 0.133,635 0.272,636 -0.205,637 -0.103,638 -0.15,639 -0.03,640 -0.119,641 0.039,642 -0.236,643 0.071,644 -0.12,645 0.022,646 -0.354,647 -0.093,648 1.55,649 2.138,650 0.667,651 18.104,652 1.027,653 1.132,654 3.36,655 11.292,656 0.741,657 3.296,658 3.664,659 3.912,660 4.205,661 4.344,662 4.407,663 4.369,664 4.477,665 4.615,666 4.554,667 5.784,668 0.709,669 383.69,670 3.296,671 4.86,672 5.714,673 6.613,674 7.478,675 8.379,676 9.248,677 10.147,678 11.018,679 11.917,680 16.2,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,717 3,718 37,719 17,720 1,721 26,723 39,724 15,725 13,726 4,727 2,729 3,730 4,731 3,741 13,742 2,754 1,757 13,758 6,759 4,760 9,761 3,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,807 3,810 24,811 2,816 1,821 1,828 3,836 13.333,837 6.979,838 5.139,839 1.91,840 3.351,841 1.475,842 1.007,843 4.873,844 10.412,845 3.57,846 4.263,847 4.866,848 5.485,849 6.027,850 6.294,851 6.538,852 6.911,853 7.327,854 7.383,855 0.857,856 40,857 8.758,859 3.717,860 7.91,861 16.242,863 13.048,865 2.41,866 57.833,870 105.94,871 72.938,872 119.275,873 117.446,877 72.938,878 223.386,879 119.275,880 8.396,881 2.106,882 103.699,883 50.357,884 23.428,885 4.227,886 105.94,887 117.446,888 105.94,889 192.213,891 117.446,893 105.94,897 11.05,898 130.807,899 167.803,901 105.94,902 119.275,903 190.384,906 105.94,907 26.636,908 49.426,910 233.597,911 105.94,912 119.275,913 190.384,915 0.598,916 0.348,917 0.197,918 0.095,919 19,920 10,921 0.077,922 3,923 1,924 1.125,925 3.479,926 196.226,927 0.125,928 16,929 104.039,933 17.296,934 6.762,935 3.619,936 1.095,937 119.275,938 6.917,939 12.535,943 3.195,945 65.794,946 415.599,947 34.5,956 38,957 41.898,958 0.341,959 0.72,960 0.837,961 0.903,962 0.903,963 0.903,964 4.822,965 1.559,966 5.74,967 5.225,968 4.344,969 4.949,970 0.918,971 6.581,972 4.156,973 6.079,974 1.006,975 7.324,976 4.216,977 4.111,978 4.956,979 0.325,980 7.519,981 3.771,982 7.416,983 0.256,984 9.003,985 2.565,986 5.974,987 7.252,988 0.671,989 10.623,990 5.645,991 8.785,992 -0.034,993 10.734,994 0.676,995 6.463,996 7.997,997 0.393,998 12.356,999 5.998,1000 10.179,1001 -0.347,1002 12.499,1003 -0.088,1004 7.876,1005 9.837,1006 0.533,1007 15.001,1008 7.41,1009 11.594,1010 -0.412,1011 14.289,1012 -0.898,1013 8.71,1014 10.951,1015 0.384,1016 17.089,1017 8.126,1018 13.025,1019 -0.515,1020 16.098,1021 -1.083,1022 9.947,1023 12.594,1024 0.438,1025 19.558,1026 9.338,1027 3.132,1028 -0.69,1029 17.923,1030 -1.301,1031 10.945,1032 13.897,1033 0.351,1034 21.8,1035 10.233,1036 3.065,1037 10.672,1038 19.761,1039 -1.51,1040 12.114,1041 15.451,1042 0.366,1043 24.198,1044 11.358,1045 2.47,1046 10.172,1047 21.61,1048 4.491,1049 13.185,1050 16.847,1051 0.312,1052 26.504,1053 12.34,1054 2.219,1055 7.162,1056 23.467,1057 4.108,1058 14.328,1059 18.362,1060 0.309,1061 28.874,1062 13.428,1063 2.034,1064 6.243,1065 25.331,1066 3.244,1067 15.433,1068 19.804,1069 0.273,1070 31.207,1071 14.451,1072 1.958,1073 5.802,1074 27.2,1075 2.876,1076 16.568,1077 21.302,1078 0.262,1079 33.567,1080 15.523,1081 1.879,1082 5.753,1083 29.074,1084 2.811,1085 17.687,1086 22.767,1087 0.236,1088 35.911,1089 16.566,1090 5935,1091 11924,1092 16.531,1093 27.415,1094 39.644,1095 40.242,1096 41.547,1097 39.565,1098 39.155,1099 52.409,1100 2.178,1101 116.973,1102 35.051,1103 5.379,1104 5.504,1105 5.985,1106 5.131,1107 5.132,1108 7.491,1109 1.605,1110 17.567,1111 4.939,1112 14.936,1113 1.525,1114 1.548,1115 1.598,1116 1.522,1117 1.506,1118 2.016,1119 0.084,1120 4.499,1121 1.348,1122 4.057,1123 4.1,1124 4.169,1125 3.936,1126 5.323,1127 3.951,1128 3.917,1129 3.935,1130 4.016,1131 3.858,1132 5.072,1133 3.855,1134 3.548,1135 3.614,1136 3.615,1137 3.364,1138 4.988,1139 3.382,1140 3.315,1141 3.399,1142 3.582,1143 3.109,1144 4.774,1145 3.117,1146 3.115,1147 3.229,1148 3.462,1149 2.849,1150 4.632,1151 2.859,1152 2.916,1153 3.018,1154 3.166,1155 2.827,1156 4.63,1157 2.815,1158 2.901,1159 2.918,1160 3.006,1161 2.737,1162 4.251,1163 2.726,1164 2.789,1165 2.805,1166 2.725,1167 2.685,1168 4.042,1169 2.653,1170 0.175,1171 0.135,1172 0.257,1173 0.156,1174 0.12,1175 4.544,1176 0.173,1177 3.504,1178 0.035,1179 6.693,1180 0.41,1181 4.058,1182 0.113,1183 3.132,1184 4.491,1185 0.916,1186 10.672,1187 2.939,1188 1.973,1189 1.938,1190 2.032,1191 2.123,1192 1.165,1193 2.098,1194 1.869,1195 1.856,1196 1.892,1197 1.951,1198 1.046,1199 1.953,1200 1.487,1201 1.424,1202 1.667,1203 1.697,1204 0.799,1205 1.696,1206 1.269,1207 1.189,1208 1.514,1209 1.522,1210 0.544,1211 1.532,1212 1.008,1213 0.912,1214 1.291,1215 1.383,1216 0.311,1217 1.364,1218 0.92,1219 0.827,1220 1.267,1221 1.189,1222 0.105,1223 1.23,1224 0.849,1225 0.819,1226 1,1227 0.962,1229 1.004,1230 0.719,1231 0.703,1232 0.92,1233 0.921,1235 0.935,1236 3.97,1238 5.323,1240 6.866,1242 8.505,1244 10.194,1246 1.857,1247 18.442,1250 11.455,1252 0.459,1257 1.878,1262 26.245,1263 65.776,1264 138.875,1265 161.24,1266 173.995,1267 173.995,1268 173.995,1269 39.756,1270 7.061,1271 93.95,1272 93.95,1273 18,1274 12.445,1275 4.17,1276 3.248,1277 39.343,1278 85,1279 76,1280 0.233,1281 174.821,1282 288.79,1283 418.322,1284 10305,1285 8.1,1286 17.43,1287 0.726,1288 0.619,1289 18.93,1290 14.862,1291 11.346,1292 0.436,1293 0.309,1294 6.885,1295 10.093,1296 6.597,1297 5.446,1298 12.212,1299 8.026,1300 10.978,1301 0.289,1302 0.17,1303 12.128,1304 6.462,1305 8.592,1306 0.175,1307 0.086,1308 9.448,1309 4.201,1310 8.031,1311 0.122,1312 0.053,1313 9.628,1314 3.511,1315 5.345,1316 0.07,1317 0.023,1318 5.756,1319 1.71,1320 0.363,1321 80.065,1322 0.246,1323 23.231,1324 0.648,1325 128,1326 401.815,1327 185.077,1328 487.859,1329 637.49,1330 450,1331 151,1332 407.194,1333 195.931,1334 444.717,1335 651.28,1336 416,1337 7.284}
{0 CHEMBL52947,1 1.664,2 10.208,3 2.021,4 4.084,5 93.293,6 7.771,7 0.654,8 3.863,9 3.993,10 3.452,11 3.303,12 5.077,13 3.327,14 4.332,15 4.505,16 3.785,17 3.636,18 5.517,19 3.648,20 4.464,21 4.643,22 3.865,23 3.756,24 5.651,25 3.753,26 4.533,27 4.724,28 3.741,29 3.772,30 5.654,31 3.718,32 4.619,33 4.864,34 3.578,35 3.732,36 5.628,37 3.634,38 4.542,39 4.815,40 3.456,41 3.589,42 5.511,43 3.491,44 4.363,45 4.606,46 3.398,47 3.471,48 5.34,49 3.407,50 4.222,51 4.44,52 3.365,53 3.424,54 5.281,55 3.362,56 0.104,57 0.66,58 8.34,59 3.08,60 12.397,61 4.136,62 0.347,63 0.955,64 15.508,65 5.145,66 29.416,67 6.87,68 0.402,69 1.105,70 17.269,71 5.465,72 30.588,73 7.588,74 0.354,75 1.119,76 18.826,77 6.451,78 31.817,79 9.11,80 0.488,81 1.1,82 22.879,83 6.872,84 43.913,85 10.394,86 0.488,87 0.95,88 22.505,89 6.434,90 43.902,91 9.762,92 0.417,93 0.796,94 18.626,95 5.547,96 33.479,97 7.963,98 0.239,99 0.766,100 14.627,101 4.913,102 23.66,103 7.01,104 21,105 36,106 0.291,107 0.637,108 0.764,109 0.837,110 0.854,111 0.879,112 3.228,113 0.836,114 -2.6,115 -2.62,116 -2.56,119 38.1,124 2,125 1,139 5,141 3,143 3,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 5,172 3,173 3,175 1,178 1,181 2,182 5,184 1,185 3,187 2,189 1,193 1,195 1,196 2,197 1,198 4,200 2,204 2,205 1,206 1,207 2,209 1,210 1,212 2,215 1,218 2,220 1,221 2,224 2,225 1,228 1,229 2,233 1,234 3,241 2,246 3,250 1,251 1,253 1,254 1,256 1,259 2,260 2,262 1,263 1,265 1,270 1,273 754,274 16.273,275 16.273,276 16.273,277 16.273,278 16.273,279 14.213,280 22.895,281 9.454,282 16.91,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.461,289 31.769,290 4.328,291 13.56,292 3.728,293 1.752,294 1.027,295 0.607,296 0.512,297 0.369,298 3.91,300 1,301 1,302 1,303 519,304 2.828,307 202.314,311 104.615,314 1.458,315 22.697,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 53,327 245,328 4.541,329 3.171,330 6.502,331 4.032,332 3.079,333 4.491,334 0.86,335 10.175,336 2.934,337 4.267,338 3.114,339 6.173,340 3.859,341 2.905,342 3.911,343 0.86,344 9.172,345 2.767,346 3.77,347 2.697,348 5.313,349 3.358,350 2.41,351 3.232,352 0.657,353 6.885,354 2.287,355 3.543,356 2.626,357 5.22,358 3.155,359 2.235,360 2.856,362 6.487,363 2.047,364 3.429,365 2.196,366 5.062,367 2.97,368 2.044,369 2.811,371 5.803,372 1.887,373 3.373,374 2.061,375 4.971,376 2.91,377 1.965,378 2.696,380 5.756,381 1.852,382 2.918,383 1.911,384 4.391,385 2.535,386 1.594,387 2.058,389 4.254,390 1.496,391 2.454,392 1.255,393 3.71,394 1.959,395 1.008,396 1.434,398 2.565,399 0.956,400 2.032,401 1.059,402 3.284,403 1.72,404 0.805,405 0.955,407 1.761,408 0.73,409 1.815,410 0.925,411 3.014,412 1.548,413 0.656,414 0.736,415 1.223,416 0.582,417 1.471,418 0.888,419 2.756,420 1.19,421 0.332,422 0.366,423 0.463,424 0.283,425 1.338,426 0.228,427 2.641,428 0.944,429 0.021,430 0.027,431 0.049,432 0.019,433 0.976,434 -0.03,435 2.529,436 0.515,437 -0.407,438 -0.499,439 -0.812,440 -0.372,441 0.818,442 -0.294,443 2.39,444 0.444,445 -0.471,446 -0.588,448 -1.154,449 -0.427,450 0.639,451 -0.403,452 2.206,453 0.232,454 -0.706,455 -0.867,457 -1.804,458 -0.655,459 11.067,460 0.461,461 0.571,462 0.024,463 35,464 1.458,465 18.5,466 0.771,467 16.5,468 0.688,469 15.443,470 0.643,471 26.133,472 0.622,473 25.305,474 1.054,475 7.22,476 0.301,477 4.381,478 0.183,479 0.163,481 0.361,485 1.069,486 1.389,487 0.794,488 1.098,489 1.229,490 0.907,491 1.205,492 1.01,493 0.775,494 0.845,495 0.761,496 0.761,497 1.077,498 1.058,499 0.97,500 0.986,501 0.918,502 0.956,503 0.958,504 1.316,505 1.132,506 1.329,507 0.866,508 1.284,509 0.857,510 1.085,511 1.114,512 1.135,513 1.022,514 1.164,515 0.867,516 0.718,517 0.972,518 0.885,519 0.878,520 0.933,521 1.231,522 0.813,523 0.928,524 0.804,525 0.901,526 0.823,527 0.943,528 1.106,529 0.987,530 1.162,531 0.931,532 1.1,533 5.5,534 0.136,535 2.667,536 1.5,537 1.711,538 0.646,539 0.345,540 0.295,541 0.242,542 0.217,543 6310,544 18844,545 2.04,546 42.9,548 13,551 5,555 1.667,556 1.895,557 3.315,558 2.702,559 1,560 1,562 1,564 69.909,565 1.664,566 3.64,567 4.366,568 4.785,569 4.88,570 5.023,571 2.709,572 3.835,573 4.56,574 3.46,575 954.832,576 7.859,577 11355.9,578 1,579 1,581 1,582 226.477,583 1.459,584 4.507,585 0.212,586 0.009,587 0.074,588 0.039,589 0.053,590 0.025,591 0.015,592 0.013,593 0.011,594 0.011,595 0.462,596 0.17,597 1,598 0.921,599 114.568,600 -0.169,601 -0.15,602 0.023,603 -0.04,604 -0.283,605 0.032,606 -0.059,607 0.08,608 0.148,609 0.169,610 0.132,611 0.182,612 -0.052,613 0.088,614 -0.071,615 -0.007,616 -0.027,617 -0.04,618 -0.055,619 -0.244,620 -0.232,621 -0.308,622 -0.018,623 -0.315,624 -0.002,625 -0.123,626 -0.146,627 -0.153,628 -0.101,629 -0.171,630 0.041,631 0.183,632 0.047,633 0.071,634 0.022,635 0.066,636 -0.101,637 0.066,638 0.095,639 0.198,640 -0.014,641 0.185,642 -0.059,643 -0.114,644 -0.047,645 -0.134,646 -0.056,647 -0.095,648 1.534,649 1.866,650 0.667,651 19.25,652 1.014,653 1.14,654 1.372,655 1.883,656 0.655,657 3.296,658 3.611,659 3.871,660 4.111,661 4.344,662 4.357,663 4.369,664 4.394,665 4.543,666 4.575,667 6.047,668 0.636,669 326.4,670 3.296,671 4.828,672 5.673,673 6.547,674 7.408,675 8.284,676 9.15,677 10.027,678 10.896,679 11.773,680 14.3,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,716 2,718 42,719 17,720 1,721 26,723 44,724 16,725 13,726 3,727 3,729 3,730 4,741 13,742 3,753 1,754 1,757 18,758 8,759 5,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 1,817 1,818 2,829 4.8,834 2,836 12.667,837 8.017,838 5.417,839 2.106,840 3.404,841 1.48,842 0.988,843 4.758,844 10.499,845 3.57,846 4.22,847 4.834,848 5.43,849 6.019,850 6.249,851 6.532,852 6.847,853 7.273,854 7.35,855 0.857,856 38,857 8.761,859 3.606,860 7.806,861 16.397,863 12.767,865 2.306,866 55.333,870 153.024,871 95.769,872 134.162,874 22,877 95.769,878 175.024,879 134.162,880 21.766,881 2.106,882 113.176,883 68.367,884 42.288,885 4.227,886 153.024,888 153.024,889 229.93,890 22,893 153.024,894 22,897 11.05,898 150.513,899 68.367,901 153.024,902 156.161,903 95.769,906 153.024,907 26.621,908 69.147,909 18.011,910 138.151,911 153.024,912 156.161,913 95.769,915 0.577,916 0.346,917 0.187,918 0.103,919 17,920 8,921 0.114,922 5,923 1,924 1.125,925 3.591,926 190.566,927 0.125,928 16,929 110.039,933 16.392,934 6.967,935 3.565,936 1.142,937 156.161,938 9.201,939 12.538,943 3.435,945 83.805,946 404.955,947 34.5,956 42.567,957 47.9,958 0.309,959 0.675,960 0.81,961 0.887,962 0.905,963 0.932,964 4.79,965 1.008,966 5.659,967 4.254,968 4.29,969 4.905,970 1.573,971 6.457,972 4.17,973 6.015,974 0.805,975 7.213,976 2.565,977 3.892,978 4.808,980 7.322,981 3.724,982 7.334,983 0.656,984 8.86,985 1.761,986 5.878,987 7.19,988 1.27,989 10.384,990 5.657,991 8.69,992 0.332,993 10.561,994 1.223,995 6.256,996 7.878,998 12.037,999 5.982,1000 10.074,1001 0.021,1002 12.296,1003 0.463,1004 7.722,1005 9.755,1006 1.022,1007 14.625,1008 7.409,1009 11.478,1010 -0.407,1011 14.054,1012 0.049,1013 8.471,1014 10.833,1016 16.631,1017 8.105,1018 12.897,1019 -0.471,1020 15.83,1021 -0.812,1022 9.723,1023 12.494,1024 0.818,1025 19.044,1026 9.321,1027 3.079,1028 -0.706,1029 17.62,1030 -1.154,1031 10.658,1032 13.775,1034 21.212,1035 10.202,1036 2.905,1037 10.175,1038 19.421,1039 -1.804,1040 11.82,1041 15.338,1042 0.65,1043 23.557,1044 11.326,1045 2.41,1046 9.172,1047 21.232,1048 4.491,1049 12.844,1050 16.724,1052 25.797,1053 12.298,1054 2.235,1055 6.885,1056 23.051,1057 3.911,1058 13.97,1059 18.244,1060 0.511,1061 28.116,1062 13.383,1063 2.044,1064 6.487,1065 24.877,1066 3.232,1067 15.038,1068 19.683,1070 30.39,1071 14.4,1072 1.965,1073 5.803,1074 26.708,1075 2.856,1076 16.151,1077 21.185,1078 0.399,1079 32.7,1080 15.47,1081 1.594,1082 5.756,1083 28.545,1084 2.811,1085 17.24,1086 22.651,1088 34.99,1089 16.509,1090 6195,1091 10828,1092 17.107,1093 27.512,1094 38.055,1095 38.978,1096 39.894,1097 38.024,1098 38.109,1099 51.144,1100 4.755,1101 109.191,1102 35.678,1103 5.378,1104 5.171,1105 6.071,1106 5.105,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.934,1112 12.642,1113 1.464,1114 1.499,1115 1.534,1116 1.462,1117 1.466,1118 1.967,1119 0.183,1120 4.2,1121 1.372,1122 4.055,1123 4.098,1124 4.03,1125 3.925,1126 5.323,1127 3.945,1128 3.915,1129 3.937,1130 3.871,1131 3.815,1132 4.989,1133 3.825,1134 3.529,1135 3.597,1136 3.458,1137 3.339,1138 4.929,1139 3.361,1140 3.325,1141 3.374,1142 3.188,1143 3.038,1144 4.772,1145 3.063,1146 3.204,1147 3.29,1148 3.059,1149 2.968,1150 4.603,1151 2.978,1152 3.129,1153 3.229,1154 2.999,1155 2.865,1156 4.28,1157 2.856,1158 3.108,1159 3.215,1160 2.885,1161 2.806,1162 4.155,1163 2.842,1164 2.817,1165 2.891,1166 2.687,1167 2.678,1168 3.941,1169 2.67,1170 0.175,1171 0.122,1172 0.25,1173 0.155,1174 0.118,1175 4.541,1176 0.173,1177 3.171,1178 0.033,1179 6.502,1180 0.391,1181 4.032,1182 0.113,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.934,1188 1.971,1189 1.936,1190 2.034,1191 2.122,1192 1.137,1193 2.097,1194 1.87,1195 1.851,1196 1.956,1197 1.997,1198 1.046,1199 1.984,1200 1.46,1201 1.399,1202 1.624,1203 1.693,1204 0.742,1205 1.678,1206 1.24,1207 1.181,1208 1.59,1209 1.568,1210 0.586,1211 1.571,1212 1.156,1213 1.073,1214 1.535,1215 1.46,1216 0.556,1217 1.483,1218 1.114,1219 1.024,1220 1.386,1221 1.383,1222 0.336,1223 1.396,1224 0.997,1225 0.895,1226 1.272,1227 1.378,1228 0.177,1229 1.364,1230 0.824,1231 0.758,1232 1.104,1233 1.019,1235 1.048,1236 3.97,1238 5.283,1240 6.801,1242 8.416,1244 10.08,1246 3.231,1250 11.455,1252 0.475,1253 3.277,1254 10.578,1262 26.719,1263 69.909,1264 152.894,1265 183.358,1266 200.968,1267 204.968,1268 210.968,1269 32.62,1270 7.095,1271 121.2,1272 121.2,1273 18,1274 12.312,1275 4.17,1276 3.248,1277 39.368,1278 89,1279 76,1280 0.221,1281 167.407,1282 278.04,1283 400.233,1284 11138,1286 17.104,1287 0.713,1288 0.559,1289 17.104,1290 13.407,1291 11.601,1292 0.446,1293 0.279,1294 7.082,1295 10.963,1296 6.88,1297 5.76,1298 11.601,1299 7.25,1300 10.25,1301 0.285,1302 0.14,1303 10.25,1304 5.057,1305 8.663,1306 0.184,1307 0.075,1308 8.663,1309 3.511,1310 7.169,1311 0.119,1312 0.039,1313 7.169,1314 2.332,1315 5.751,1316 0.076,1317 0.02,1318 5.751,1319 1.539,1320 0.347,1321 74.092,1322 0.242,1323 23.447,1324 0.602,1325 124,1326 399.364,1327 139.915,1328 383.178,1329 528.26,1330 360,1331 145,1332 394.922,1333 160.806,1334 401.18,1335 581.89,1336 374,1337 6.553}
{0 CHEMBL52953,1 1.567,2 10.769,3 3.339,4 11.151,5 102.584,6 7.873,7 0.607,8 3.884,9 4.017,10 3.488,11 3.421,12 5.131,13 3.419,14 4.346,15 4.522,16 3.841,17 3.763,18 5.558,19 3.748,20 4.56,21 4.742,22 3.919,23 3.911,24 5.784,25 3.88,26 4.653,27 4.86,28 3.839,29 3.952,30 5.801,31 3.876,32 4.705,33 4.947,34 3.716,35 3.925,36 5.795,37 3.818,38 4.612,39 4.883,40 3.603,41 3.807,42 5.653,43 3.693,44 4.389,45 4.615,46 3.569,47 3.701,48 5.459,49 3.623,50 4.379,51 4.584,52 3.543,53 3.637,54 5.645,55 3.572,56 0.056,57 0.7,58 7.991,59 3.294,60 16.428,61 4.293,62 0.186,63 1.063,64 14.291,65 5.499,66 24.273,67 7.411,68 0.313,69 1.273,70 18.293,71 6.448,72 44.665,73 8.474,74 0.239,75 1.319,76 21.078,77 8.001,78 41.847,79 10.947,80 0.284,81 1.328,82 23.951,83 8.508,84 57.428,85 12.062,86 0.371,87 1.187,88 23.164,89 7.893,90 50.635,91 11.559,92 0.157,93 0.99,94 16.801,95 6.318,96 31.426,97 8.85,98 0.236,99 0.972,100 16.418,101 5.766,102 51.573,103 7.69,104 31,105 39,106 0.268,107 0.672,108 0.793,109 0.853,110 0.853,111 0.853,112 3.304,113 0.853,114 -3.91,115 -3.87,116 -3.67,119 43.2,120 1,125 2,137 1,138 1,139 6,140 1,141 1,143 3,144 1,147 1,152 1,157 2,158 2,159 2,166 6,169 1,170 7,172 3,173 3,178 5,181 3,182 8,184 1,185 1,189 4,193 5,195 1,196 1,197 1,198 2,200 2,201 4,204 2,205 1,207 4,209 1,210 1,212 2,215 7,218 2,220 3,221 4,223 1,224 1,229 9,234 1,241 5,246 7,248 1,249 1,251 3,254 2,256 3,259 1,260 9,265 3,268 2,270 3,273 1012,274 17.317,275 17.317,276 17.317,277 17.317,278 17.317,279 14.93,280 20.927,281 10.2,282 17.606,283 13.776,284 13.776,285 13.776,286 13.776,287 13.776,288 10.152,289 26.533,290 4.752,291 14.291,292 3.893,293 1.532,294 0.824,295 0.472,296 0.472,297 0.472,298 3.984,300 1,301 1,302 1,303 590,304 3.536,307 233.592,311 123.242,314 1.556,315 26.416,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 56,327 280,328 4.542,329 3.545,330 6.503,331 4.038,332 3.085,333 4.491,334 1.277,335 10.183,336 2.939,337 4.216,338 3.243,339 6.177,340 3.871,341 2.901,342 3.789,343 1.102,344 9.184,345 2.847,346 3.934,347 3.089,348 5.892,349 3.648,350 2.656,351 3.283,352 0.461,353 8.091,354 2.598,355 3.718,356 2.54,357 5.296,358 3.285,359 2.334,360 3.126,362 6.801,363 2.224,364 3.468,365 2.323,366 5.062,367 2.967,368 2.036,369 2.811,371 5.804,372 1.887,373 3.428,374 2.176,375 4.973,376 2.906,377 1.956,378 2.693,380 5.759,381 1.854,382 3.367,383 2.044,384 4.386,385 2.642,386 1.656,387 2.175,389 4.239,390 1.626,391 2.903,392 1.914,393 3.73,394 2.229,395 1.202,396 1.776,398 2.76,399 1.228,400 2.5,401 1.242,402 3.708,403 2,404 1.008,405 1.5,407 2.565,408 1,409 2.473,410 1.057,411 3.414,412 1.96,413 1,414 1.435,415 2.275,416 0.957,417 2.432,418 1,419 3.154,420 1.825,421 0.85,422 1.214,423 1.618,424 0.826,425 1.535,426 0.399,427 2.794,428 1.106,429 0.162,430 0.211,431 0.384,432 0.153,433 1.094,434 0.31,435 2.641,436 0.592,437 -0.347,438 -0.447,439 -0.728,440 -0.324,441 0.991,442 -0.163,443 2.5,444 0.53,445 -0.458,446 -0.593,448 -1.014,449 -0.429,450 0.914,451 -0.29,452 2.238,453 0.454,454 -0.468,455 -0.633,457 -1.186,458 -0.451,459 12.233,460 0.471,461 0.698,462 0.027,463 38,464 1.462,465 21,466 0.808,467 17,468 0.654,469 17.472,470 0.672,471 26.767,472 0.608,473 28.873,474 1.11,475 7.706,476 0.296,477 4.768,478 0.183,479 0.174,481 0.36,485 0.914,486 1.269,487 0.775,488 0.96,489 0.877,490 0.854,491 0.719,492 1.064,493 0.726,494 0.939,495 0.52,496 0.849,497 1.215,498 1.025,499 1.073,500 0.996,501 1.093,502 1.011,503 0.9,504 1.139,505 1.062,506 1.183,507 0.794,508 1.159,509 0.878,510 1.033,511 1.082,512 1.097,513 0.889,514 1.117,515 0.589,516 0.7,517 0.903,518 0.831,519 0.614,520 0.894,521 0.775,522 0.98,523 0.904,524 0.997,525 0.782,526 0.971,527 1.351,528 1.099,529 1.158,530 1.108,531 1.471,532 1.116,533 6,534 0.169,535 3.111,536 1.813,537 1.64,538 0.708,539 0.587,540 0.491,541 0.365,542 0.172,543 7640,544 23185,545 2.014,546 40.9,548 10,549 1,551 4,552 3,555 1.691,556 1.857,557 3.372,558 1.735,559 1,560 1,564 68.936,565 1.567,566 3.927,567 4.635,568 4.988,569 4.988,570 4.988,571 2.855,572 4.239,573 4.671,574 3.542,575 1151.15,576 8.098,577 14415,579 1,581 1,582 240.215,583 1.502,584 4.615,585 0.214,586 0.011,587 0.08,588 0.044,589 0.044,590 0.022,591 0.02,592 0.017,593 0.014,594 0.007,595 0.474,596 0.17,597 1,598 1.104,599 127.378,600 -0.134,601 -0.103,602 0.014,603 0.016,604 -0.178,605 0.038,606 0.148,607 0.035,608 0.147,609 0.027,610 0.114,611 0.073,612 -0.111,613 0.068,614 -0.173,615 -0.056,616 -0.127,617 -0.117,618 -0.039,619 -0.142,620 -0.137,621 -0.187,622 0.002,623 -0.183,624 -0.072,625 -0.085,626 -0.107,627 -0.099,628 -0.089,629 -0.108,630 0.145,631 0.229,632 0.111,633 0.166,634 0.026,635 0.14,636 -0.039,637 -0.013,638 0.039,639 0.021,640 -0.065,641 0.043,642 -0.195,643 -0.11,644 -0.2,645 -0.131,646 -0.157,647 -0.166,648 1.647,649 4.435,650 0.615,651 23.373,652 1.005,653 1.129,654 2.684,655 7.204,656 0.683,657 3.367,658 3.689,659 3.932,660 4.174,661 4.407,662 4.466,663 4.564,664 4.615,665 4.727,666 4.615,667 6.316,668 0.659,669 346.43,670 3.367,671 4.905,672 5.746,673 6.621,674 7.482,675 8.36,676 9.227,677 10.107,678 10.978,679 11.858,680 13.6,684 2,686 1,690 3,694 2,695 6,696 3,700 5,702 17,705 1,711 2,714 1,718 44,719 19,720 1,721 28,723 46,724 19,725 13,726 2,727 4,728 1,729 3,730 4,734 1,740 2,741 14,742 3,744 1,748 1,751 1,753 1,754 1,757 18,758 7,759 4,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,788 1,789 1,802 2,806 1,810 26,811 2,816 2,821 1,823 1,824 1,827 1,829 2.3,832 1,836 14,837 8.217,838 5.778,839 2.363,840 3.339,841 1.466,842 0.994,843 5.018,844 10.498,845 3.701,846 4.304,847 4.881,848 5.473,849 6.066,850 6.348,851 6.696,852 7.01,853 7.449,854 7.456,855 1,856 41,857 9.511,859 3.971,860 7.917,861 17.729,863 14.052,865 2.417,866 62.833,869 1,870 164.795,871 132.594,872 119.275,874 25.145,877 132.594,878 189.94,879 119.275,880 8.825,881 4.211,882 122.652,883 80.635,884 16.112,885 56.35,886 153.024,888 164.795,889 251.869,890 25.145,893 164.795,894 25.145,897 21.981,898 162.501,899 67.387,901 164.795,902 144.42,903 132.594,906 164.795,907 26.559,908 68.807,909 17.031,910 164.617,911 164.795,912 144.42,913 132.594,915 0.58,916 0.335,917 0.18,918 0.101,919 18,920 9,921 0.109,922 5,923 1,924 1.125,925 3.72,926 213.722,927 0.125,928 16,929 118.211,933 17.66,934 7.387,935 3.929,936 1.095,937 144.42,938 10.953,939 12.61,943 2.674,945 65.794,946 441.809,947 39.5,951 11.435,954 0.019,956 44.24,957 49.69,958 0.287,959 0.719,960 0.849,961 0.914,962 0.914,963 0.914,964 4.936,965 1.202,966 5.74,967 4.239,968 4.369,969 4.99,970 1.939,971 6.541,972 4.299,973 6.168,974 1.008,975 7.298,976 2.76,977 4.007,978 4.844,979 0.325,980 7.416,981 3.9,982 7.483,983 1,984 8.952,985 2.565,986 5.958,987 7.226,988 2.168,989 10.482,990 5.813,991 8.828,992 0.85,993 10.66,994 2.275,995 6.365,996 7.877,997 0.621,998 12.142,999 6.186,1000 10.199,1001 0.162,1002 12.402,1003 1.618,1004 7.816,1005 9.759,1006 2.5,1007 14.725,1008 7.601,1009 11.589,1010 -0.347,1011 14.167,1012 0.384,1013 8.579,1014 10.812,1015 0.855,1016 16.727,1017 8.331,1018 12.996,1019 -0.458,1020 15.949,1021 -0.728,1022 9.823,1023 12.474,1024 2.886,1025 19.131,1026 9.539,1027 3.085,1028 -0.468,1029 17.743,1030 -1.014,1031 10.761,1032 13.741,1033 1.057,1034 21.29,1035 10.44,1036 2.901,1037 10.183,1038 19.546,1039 -1.186,1040 11.916,1041 15.305,1042 3.305,1043 23.626,1044 11.559,1045 2.656,1046 9.184,1047 21.358,1048 4.491,1049 12.938,1050 16.685,1051 1.244,1052 25.859,1053 12.541,1054 2.334,1055 8.091,1056 23.176,1057 3.789,1058 14.059,1059 18.206,1060 3.747,1061 28.17,1062 13.623,1063 2.036,1064 6.801,1065 25,1066 3.283,1067 15.122,1068 19.643,1069 1.424,1070 30.438,1071 14.644,1072 1.956,1073 5.804,1074 26.829,1075 3.126,1076 16.23,1077 21.147,1078 4.203,1079 32.742,1080 15.712,1081 1.656,1082 5.759,1083 28.661,1084 2.811,1085 17.314,1086 22.614,1087 1.601,1088 35.028,1089 16.752,1090 7546,1091 13255,1092 18.205,1093 30.057,1094 43.177,1095 43.039,1096 43.321,1097 41.725,1098 41.694,1099 57.01,1100 5.68,1101 119.326,1102 40.274,1103 5.377,1104 5.545,1105 6.267,1106 5.11,1107 5.085,1108 7.491,1109 2.555,1110 17.077,1111 4.939,1112 14.982,1113 1.542,1114 1.537,1115 1.547,1116 1.49,1117 1.489,1118 2.036,1119 0.203,1120 4.262,1121 1.438,1122 4.06,1123 4.103,1124 4.033,1125 3.937,1126 7.428,1127 3.954,1128 3.938,1129 3.967,1130 3.888,1131 3.855,1132 5.431,1133 3.86,1134 3.616,1135 3.671,1136 3.541,1137 3.463,1138 5.322,1139 3.473,1140 3.443,1141 3.504,1142 3.369,1143 3.287,1144 4.988,1145 3.3,1146 3.371,1147 3.417,1148 3.26,1149 3.215,1150 4.784,1151 3.22,1152 3.121,1153 3.23,1154 3.014,1155 2.918,1156 4.694,1157 2.923,1158 3.073,1159 3.155,1160 2.938,1161 2.796,1162 4.227,1163 2.832,1164 2.854,1165 2.925,1166 2.687,1167 2.735,1168 3.926,1169 2.715,1170 0.162,1171 0.127,1172 0.232,1173 0.144,1174 0.11,1175 4.542,1176 0.16,1177 3.545,1178 0.046,1179 6.503,1180 0.364,1181 4.038,1182 0.105,1183 3.085,1184 4.491,1185 1.277,1186 10.183,1187 2.939,1188 1.978,1189 1.943,1190 2.053,1191 2.125,1192 1.186,1193 2.101,1194 1.913,1195 1.887,1196 1.997,1197 2.017,1198 1.077,1199 2.016,1200 1.572,1201 1.522,1202 1.743,1203 1.764,1204 0.861,1205 1.759,1206 1.392,1207 1.339,1208 1.626,1209 1.601,1210 0.669,1211 1.599,1212 1.352,1213 1.303,1214 1.549,1215 1.541,1216 0.581,1217 1.564,1218 1.072,1219 1,1220 1.329,1221 1.383,1222 0.312,1223 1.364,1224 0.992,1225 0.888,1226 1.271,1227 1.281,1228 0.218,1229 1.304,1230 0.886,1231 0.821,1232 1.181,1233 1.062,1234 0.077,1235 1.107,1236 4.043,1238 5.361,1240 6.876,1242 8.484,1244 10.14,1246 1.534,1250 11.508,1252 0.871,1257 1.979,1259 5.51,1261 2.645,1262 29.004,1263 68.936,1264 172.789,1265 203.95,1266 219.46,1267 219.46,1268 219.46,1269 44.656,1270 7.159,1271 111.02,1272 111.02,1273 18,1274 12.395,1275 4.322,1276 3.644,1277 44.334,1278 98,1279 94,1280 0.222,1281 183.405,1282 313.23,1283 439.269,1284 11506,1286 18.681,1287 0.719,1288 0.55,1289 18.681,1290 14.307,1291 12.474,1292 0.445,1293 0.284,1294 7.85,1295 12.037,1296 7.621,1297 6.356,1298 12.474,1299 7.957,1300 11.36,1301 0.291,1302 0.149,1303 11.36,1304 5.801,1305 9.088,1306 0.182,1307 0.078,1308 9.088,1309 3.918,1310 7.613,1311 0.119,1312 0.041,1313 7.613,1314 2.635,1315 6.051,1316 0.075,1317 0.021,1318 6.051,1319 1.723,1320 0.347,1321 77.796,1322 0.234,1323 25.079,1324 0.609,1325 134,1326 398.94,1327 146.955,1328 398.511,1329 543.65,1330 370,1331 156,1332 403.594,1333 168.763,1334 413.049,1335 597.26,1336 387,1337 7.824}
{0 CHEMBL53165,1 1.649,2 9.333,3 2.718,4 7.388,5 85.171,6 8.846,7 0.739,8 3.66,9 3.796,10 3.36,11 3.208,12 4.889,13 3.21,14 4.1,15 4.26,16 3.74,17 3.568,18 5.344,19 3.547,20 4.323,21 4.525,22 3.823,23 3.654,24 5.527,25 3.613,26 4.28,27 4.487,28 3.598,29 3.568,30 5.434,31 3.485,32 4.241,33 4.476,34 3.366,35 3.453,36 5.323,37 3.348,38 4.14,39 4.409,40 3.321,41 3.311,42 5.207,43 3.209,44 3.919,45 4.16,46 3.219,47 3.215,48 4.939,49 3.118,50 3.735,51 3.935,52 3.182,53 3.102,54 4.88,55 3.02,56 0.086,57 0.566,58 5.326,59 2.337,60 11.853,61 2.864,62 0.174,63 0.841,64 9.468,65 4.191,66 18.469,67 5.377,68 0.34,69 0.953,70 15.77,71 4.958,72 30.549,73 6.425,74 0.268,75 0.864,76 17.041,77 5.323,78 30.992,79 6.893,80 0.283,81 0.797,82 17.58,83 5.128,84 35.52,85 6.814,86 0.328,87 0.698,88 15.372,89 4.563,90 34.221,91 6.372,92 0.182,93 0.56,94 12.797,95 3.991,96 20.454,97 5.382,98 0.132,99 0.491,100 9.511,101 3.284,102 15.91,103 4.283,104 10,105 32,106 0.301,107 0.642,108 0.781,109 0.886,110 0.897,111 0.897,112 3.103,113 0.871,114 -3.86,115 -3.82,116 -3.63,119 41.2,125 1,139 6,141 2,143 3,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 2,172 3,173 3,175 1,178 3,181 2,182 2,184 1,185 2,187 4,189 3,193 1,195 1,196 1,197 1,198 4,200 2,201 1,204 2,205 1,207 2,209 1,210 1,212 2,215 1,218 2,221 3,224 2,225 1,228 1,229 4,234 1,241 4,246 2,250 1,251 1,253 1,254 1,256 1,260 6,265 3,270 3,273 530,274 14.085,275 14.085,276 14.085,277 14.085,278 14.085,279 11.945,280 15.971,281 8.295,282 14.484,283 11.349,284 11.349,285 11.349,286 11.349,287 11.349,288 8.201,289 21.179,290 3.954,291 12.086,292 3.439,293 1.57,294 0.809,295 0.235,296 0.176,297 0.176,298 3.784,299 1,300 1,301 1,302 1,303 421,304 2.345,307 169.774,311 87.55,314 1.46,315 19.083,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 45.333,327 196,328 4.541,329 3.178,330 6.502,331 4.032,332 3.079,333 4.491,334 0.657,335 10.175,336 2.933,337 4.163,338 3.116,339 6.024,340 3.725,341 2.798,342 3.775,344 8.559,345 2.567,346 3.765,347 2.642,348 5.308,349 3.344,350 2.397,351 3.23,353 6.867,354 2.267,355 3.429,356 2.196,357 5.062,358 2.97,359 2.044,360 2.811,362 5.803,363 1.887,364 3.375,365 2.06,366 4.97,367 2.909,368 1.964,369 2.699,371 5.754,372 1.852,373 2.916,374 1.912,375 4.203,376 2.484,377 1.528,378 2.089,380 3.889,381 1.466,382 2.845,383 1.521,384 3.71,385 2.342,386 1.414,387 1.979,389 2.985,390 1.233,391 2.454,392 1.059,393 3.605,394 1.959,395 1.008,396 1.434,398 2.565,399 0.956,400 1.95,401 0.907,402 3.229,403 1.657,404 0.719,405 0.857,407 1.68,408 0.669,409 1.419,410 0.433,411 2.74,412 1.001,413 0.087,414 0.11,415 0.209,416 0.075,417 1.055,418 0.097,419 2.569,420 0.619,421 -0.237,422 -0.292,423 -0.539,424 -0.175,425 0.956,426 -0.294,427 2.431,428 0.467,429 -0.448,430 -0.577,431 -1.154,432 -0.408,433 0.666,434 -0.43,435 2.106,436 0.211,437 -0.711,438 -0.891,439 -1.753,440 -0.621,441 0.558,442 -0.721,443 2,444 0.132,445 -0.815,446 -1.098,448 -2.13,449 -0.77,450 0.416,451 -0.809,452 1.689,453 0.048,454 -0.914,455 -1.242,457 -2.474,458 -0.873,459 10.114,460 0.482,461 0.541,462 0.026,463 31.75,464 1.512,465 17.5,466 0.833,467 14.25,468 0.679,469 12.652,470 0.602,471 21.686,472 0.638,473 20.696,474 0.986,475 6.323,476 0.301,477 3.808,478 0.181,479 0.15,481 0.346,485 1.036,486 1.218,487 0.61,488 0.761,489 1.193,490 0.725,491 0.648,492 1.142,493 0.625,494 0.941,495 0.512,496 0.892,497 1.007,498 0.98,499 0.925,500 0.918,501 0.869,502 0.927,503 1.132,504 1.188,505 1.251,506 1.252,507 0.956,508 1.223,509 1.176,510 1.065,511 1.231,512 1.178,513 1.269,514 1.195,515 0.814,516 0.64,517 0.765,518 0.752,519 0.905,520 0.865,521 1,522 0.836,523 0.944,524 0.822,525 0.896,526 0.849,527 0.935,528 1.075,529 1.058,530 1.081,531 1.025,532 1.051,533 4.5,534 0.091,535 2.444,536 1.313,537 1.36,538 0.465,539 0.223,540 0.264,541 0.217,542 0.096,543 4523,544 14495,545 2.074,546 38.2,548 8,551 5,555 1.628,556 1.938,557 3.188,558 2.845,560 1,562 1,564 56.055,565 1.649,566 3.517,567 4.278,568 4.852,569 4.911,570 4.911,571 2.684,572 3.916,573 4.367,574 3.331,575 699.566,576 7.46,577 7459.79,578 1,579 1,580 1,581 1,582 172.974,583 1.418,584 4.322,585 0.196,586 0.011,587 0.076,588 0.041,589 0.054,590 0.023,591 0.012,592 0.016,593 0.014,594 0.007,595 0.45,596 0.33,597 1,598 0.61,599 95.318,600 -0.238,601 -0.031,602 -0.017,603 0.11,604 -0.341,605 0.096,606 0.168,607 -0.029,608 0.07,609 -0.031,610 0.196,611 -0.014,612 0.025,613 0.072,614 -0.02,615 -0.001,616 0.007,617 -0.031,618 -0.135,619 -0.208,620 -0.226,621 -0.277,622 -0.014,623 -0.27,624 -0.203,625 -0.127,626 -0.237,627 -0.203,628 -0.228,629 -0.21,630 0.12,631 0.279,632 0.124,633 0.208,634 0.025,635 0.149,636 -0.104,637 0.066,638 0.084,639 0.209,640 -0.06,641 0.197,642 -0.017,643 -0.116,644 -0.015,645 -0.062,646 -0.051,647 -0.057,648 1.524,649 1.98,650 0.762,651 15.655,652 1.014,653 1.135,654 2.63,655 6.918,656 0.704,657 3.178,658 3.497,659 3.738,660 3.97,661 4.19,662 4.159,663 4.19,664 4.277,665 4.407,666 4.344,667 5.523,668 0.678,669 300.78,670 3.178,671 4.71,672 5.549,673 6.418,674 7.273,675 8.145,676 9.005,677 9.878,678 10.742,679 11.616,680 17.6,684 2,685 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,712 1,717 1,718 34,719 17,720 1,721 23,723 36,724 14,725 13,726 2,727 4,729 3,730 4,731 1,741 13,742 1,753 1,754 1,757 13,758 6,759 5,760 7,761 1,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,807 1,810 21,811 2,816 1,817 1,828 1,836 10.833,837 5.91,838 4.583,839 1.78,840 3.339,841 1.49,842 1.03,843 3.773,844 10.15,845 3.481,846 4.143,847 4.747,848 5.341,849 5.927,850 6.126,851 6.44,852 6.802,853 7.218,854 7.23,855 1,856 32,857 7.66,859 3.224,860 7.823,861 14.339,863 11.47,865 2.323,866 48.778,870 94.169,871 76.493,872 134.162,873 39.149,877 76.493,878 133.317,879 134.162,881 2.106,882 122.652,883 68.367,884 13.302,885 4.227,886 94.169,887 39.149,888 94.169,889 210.654,891 39.149,893 94.169,897 11.05,898 131.237,899 107.516,901 94.169,902 134.162,903 115.641,906 94.169,907 19.635,908 56.857,909 18.011,910 155.3,911 94.169,912 134.162,913 115.641,915 0.584,916 0.338,917 0.18,918 0.097,919 16,920 7,921 0.083,922 3,923 1,924 1.125,925 3.373,926 158.45,927 0.125,928 16,929 92.239,933 13.86,934 5.716,935 2.989,936 1.171,937 134.162,938 11.202,939 12.458,943 2.736,945 83.805,946 343.972,947 31.5,956 34.469,957 38.595,958 0.324,959 0.691,960 0.841,961 0.954,962 0.965,963 0.965,964 4.694,965 1.008,966 5.533,967 2.985,968 4.174,969 4.828,970 0.623,971 6.319,972 4.049,973 5.923,974 0.719,975 7.079,976 2.565,977 3.761,978 4.691,980 7.154,981 3.533,982 7.238,983 0.087,984 8.722,985 1.68,986 5.746,987 7.111,988 0.317,989 10.232,990 5.509,991 8.589,992 -0.237,993 10.421,994 0.209,995 6.111,996 7.773,998 11.877,999 5.77,1000 9.969,1001 -0.448,1002 12.156,1003 -0.539,1004 7.587,1005 9.68,1006 0.149,1007 14.473,1008 7.237,1009 11.37,1010 -0.711,1011 13.915,1012 -1.154,1013 8.33,1014 10.744,1016 16.477,1017 7.887,1018 12.789,1019 -0.815,1020 15.694,1021 -1.753,1022 9.589,1023 12.423,1024 0.067,1025 18.894,1026 9.126,1027 3.079,1028 -0.914,1029 17.487,1030 -2.13,1031 10.518,1032 13.7,1034 21.062,1035 9.979,1036 2.798,1037 10.175,1038 19.291,1039 -2.474,1040 11.684,1041 15.273,1042 0.03,1043 23.411,1044 11.115,1045 2.397,1046 8.559,1047 21.104,1048 4.491,1049 12.705,1050 16.659,1052 25.655,1053 12.071,1054 2.044,1055 6.867,1056 22.926,1057 3.775,1058 13.832,1059 18.186,1060 0.013,1061 27.979,1062 13.162,1063 1.964,1064 5.803,1065 24.753,1066 3.23,1067 14.898,1068 19.627,1070 30.258,1071 14.172,1072 1.528,1073 5.754,1074 26.586,1075 2.811,1076 16.011,1077 21.134,1078 0.006,1079 32.573,1080 15.245,1081 1.414,1082 3.889,1083 28.424,1084 2.699,1085 17.099,1086 22.603,1088 34.87,1089 16.282,1090 4387,1091 7961,1092 15.315,1093 23.938,1094 34.321,1095 34.707,1096 35.139,1097 34.238,1098 34.077,1099 46.949,1100 1.315,1101 96.97,1102 31.81,1103 5.367,1104 5.178,1105 6.192,1106 5.104,1107 5.079,1108 7.491,1109 1.315,1110 17.069,1111 4.933,1112 9.772,1113 1.492,1114 1.509,1115 1.528,1116 1.489,1117 1.482,1118 2.041,1119 0.057,1120 4.216,1121 1.383,1122 4.053,1123 4.097,1124 4.044,1125 3.926,1126 5.323,1127 3.945,1128 3.896,1129 3.926,1130 3.979,1131 3.828,1132 4.989,1133 3.825,1134 3.524,1135 3.593,1136 3.462,1137 3.338,1138 4.948,1139 3.359,1140 3.193,1141 3.28,1142 3.294,1143 2.987,1144 4.772,1145 2.997,1146 3.111,1147 3.228,1148 3.067,1149 2.813,1150 4.355,1151 2.847,1152 2.88,1153 2.922,1154 2.998,1155 2.795,1156 4.244,1157 2.771,1158 2.812,1159 2.882,1160 2.687,1161 2.672,1162 3.975,1163 2.665,1164 2.616,1165 2.739,1166 2.44,1167 2.317,1168 3.896,1169 2.33,1170 0.197,1171 0.138,1172 0.283,1173 0.175,1174 0.134,1175 4.541,1176 0.195,1177 3.178,1178 0.029,1179 6.502,1180 0.442,1181 4.032,1182 0.128,1183 3.079,1184 4.491,1185 0.657,1186 10.175,1187 2.933,1188 1.972,1189 1.936,1190 2.035,1191 2.122,1192 1.135,1193 2.097,1194 1.875,1195 1.849,1196 1.963,1197 1.968,1198 1.043,1199 1.975,1200 1.459,1201 1.398,1202 1.62,1203 1.684,1204 0.741,1205 1.673,1206 1.148,1207 1.07,1208 1.39,1209 1.408,1210 0.337,1211 1.412,1212 0.998,1213 0.896,1214 1.272,1215 1.383,1216 0.187,1217 1.364,1218 0.869,1219 0.824,1220 1.127,1221 1.03,1222 0.104,1223 1.07,1224 0.795,1225 0.739,1226 0.983,1227 0.982,1229 1,1230 0.556,1231 0.438,1232 0.913,1233 0.905,1235 0.922,1236 3.85,1238 5.165,1240 6.681,1242 8.292,1244 9.95,1247 6.091,1250 11.379,1252 0.517,1253 3.224,1262 23.063,1263 56.055,1264 119.59,1265 145.464,1266 164.974,1267 166.974,1268 166.974,1269 26.624,1270 6.811,1271 102.74,1272 102.74,1273 18,1274 12.158,1275 4.17,1276 3.248,1277 32.339,1278 70,1279 58,1280 0.229,1281 148.562,1282 241.07,1283 354.252,1284 7763,1285 2.9,1286 14.82,1287 0.706,1288 0.562,1289 15.32,1290 11.801,1291 10.131,1292 0.44,1293 0.29,1294 6.249,1295 9.513,1296 6.102,1297 5.057,1298 10.42,1299 6.681,1300 9.256,1301 0.289,1302 0.152,1303 9.627,1304 4.878,1305 7.602,1306 0.185,1307 0.081,1308 7.982,1309 3.308,1310 6.305,1311 0.121,1312 0.042,1313 6.574,1314 2.187,1315 5.015,1316 0.077,1317 0.022,1318 5.195,1319 1.417,1320 0.359,1321 66.218,1322 0.256,1323 20.898,1324 0.627,1325 110,1326 322.096,1327 135.677,1328 352.628,1329 478.91,1330 328,1331 128,1332 340.694,1333 150.138,1334 356.553,1335 520.08,1336 336,1337 6.854}
{0 CHEMBL53318,1 1.623,2 9.318,3 3.072,4 9.435,5 89.406,6 8.508,7 0.708,8 3.732,9 3.868,10 3.405,11 3.268,12 4.932,13 3.263,14 4.196,15 4.375,16 3.789,17 3.633,18 5.384,19 3.61,20 4.399,21 4.589,22 3.895,23 3.767,24 5.565,25 3.72,26 4.459,27 4.674,28 3.783,29 3.761,30 5.564,31 3.668,32 4.475,33 4.706,34 3.519,35 3.692,36 5.535,37 3.563,38 4.375,39 4.656,40 3.417,41 3.522,42 5.342,43 3.388,44 4.119,45 4.373,46 3.359,47 3.375,48 5.098,49 3.269,50 3.949,51 4.167,52 3.26,53 3.238,54 5.095,55 3.153,56 0.067,57 0.606,58 6.29,59 2.661,60 10.758,61 3.468,62 0.203,63 0.907,64 12.107,65 4.597,66 19.385,67 6.153,68 0.316,69 1.046,70 16.928,71 5.507,72 27.165,73 7.344,74 0.247,75 1.023,76 20.21,77 6.739,78 30.289,79 9.127,80 0.346,81 0.976,82 24.849,83 6.787,84 43.018,85 9.116,86 0.35,87 0.858,88 20.082,89 6.225,90 36.367,91 8.981,92 0.167,93 0.679,94 15.905,95 5.117,96 19.557,97 7.194,98 0.201,99 0.609,100 11.914,101 3.473,102 23.75,103 4.639,104 17,105 34,106 0.291,107 0.647,108 0.779,109 0.873,110 0.883,111 0.883,112 3.147,113 0.883,114 -4.11,115 -4.06,116 -3.84,119 40.5,124 1,125 1,139 6,141 2,143 3,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 3,172 3,173 3,178 3,181 3,182 6,184 1,185 1,189 3,193 3,195 1,196 1,197 1,198 2,200 2,201 1,204 2,205 1,207 2,209 1,210 1,212 2,215 1,218 2,220 2,221 3,223 1,224 1,229 4,234 1,241 4,246 2,248 1,249 1,251 1,254 1,256 1,260 6,265 3,270 3,273 592,274 14.585,275 14.585,276 14.585,277 14.585,278 14.585,279 12.469,280 16.485,281 8.503,282 15.027,283 11.833,284 11.833,285 11.833,286 11.833,287 11.833,288 8.715,289 21.461,290 4.039,291 12.634,292 3.587,293 1.605,294 0.872,295 0.345,296 0.291,297 0.291,298 3.824,299 1,300 1,301 1,302 1,303 438,304 2.739,307 181.009,311 93.54,314 1.409,315 18.285,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47.333,327 205,328 4.542,329 3.32,330 6.504,331 4.038,332 3.087,333 4.491,334 0.916,335 10.184,336 2.938,337 4.258,338 3.119,339 6.392,340 3.882,341 2.954,342 3.835,343 0.172,344 9.661,345 2.72,346 3.775,347 2.727,348 5.376,349 3.357,350 2.414,351 3.236,353 7.022,354 2.273,355 3.432,356 2.32,357 5.063,358 2.992,359 2.075,360 2.811,362 5.843,363 1.897,364 3.399,365 2.139,366 4.997,367 2.932,368 1.991,369 2.719,371 5.79,372 1.869,373 3.109,374 2.01,375 4.753,376 2.728,377 1.798,378 2.283,380 4.922,381 1.662,382 2.858,383 1.596,384 3.79,385 2.35,386 1.414,387 2.009,389 3.059,390 1.25,391 2.458,392 1.129,393 3.707,394 2.013,395 1.038,396 1.441,398 2.567,399 1.01,400 2.378,401 1.057,402 3.567,403 1.944,404 1,405 1.343,407 2.562,408 0.942,409 1.504,410 0.454,411 2.888,412 1.118,413 0.184,414 0.23,415 0.459,416 0.169,417 1.065,418 0.284,419 2.658,420 0.619,421 -0.223,422 -0.272,423 -0.502,424 -0.152,425 0.974,426 -0.198,427 2.504,428 0.493,429 -0.414,430 -0.517,431 -1.078,432 -0.373,433 0.745,434 -0.307,435 2.247,436 0.396,437 -0.513,438 -0.614,439 -1.293,440 -0.463,441 0.589,442 -0.698,443 2,444 0.132,445 -0.815,446 -1.09,448 -2.015,449 -0.77,450 0.506,451 -0.721,452 1.885,453 0.12,454 -0.849,455 -1.141,457 -2.213,458 -0.799,459 10.614,460 0.482,461 0.63,462 0.029,463 32.5,464 1.477,465 17.5,466 0.795,467 15,468 0.682,469 14.512,470 0.66,471 22.986,472 0.621,473 22.126,474 1.006,475 6.488,476 0.295,477 4.054,478 0.184,479 0.19,481 0.367,485 0.985,486 1.347,487 0.62,488 0.874,489 1.158,490 0.809,491 0.759,492 1.024,493 0.615,494 0.791,495 0.479,496 0.768,497 0.99,498 1.03,499 0.942,500 0.978,501 0.873,502 0.984,503 0.951,504 1.175,505 1.051,506 1.159,507 0.764,508 1.13,509 1.355,510 1.041,511 1.553,512 1.306,513 1.399,514 1.298,515 0.686,516 0.686,517 0.73,518 0.821,519 0.833,520 0.911,521 0.794,522 0.981,523 0.808,524 0.888,525 0.649,526 0.852,527 1.387,528 0.98,529 1.191,530 0.98,531 1.566,532 1.073,533 5,534 0.091,535 2.667,536 1.938,537 1.48,538 0.556,539 0.385,540 0.28,541 0.263,542 0.096,543 4900,544 15178,545 2.043,546 40.5,548 11,551 4,555 1.643,556 1.886,557 3.192,558 1.914,559 1,560 1,562 1,564 60.033,565 1.623,566 3.604,567 4.337,568 4.865,569 4.919,570 4.919,571 2.681,572 4.278,573 4.435,574 3.32,575 767,576 7.607,577 8360.47,578 1,579 1,580 1,581 1,582 192.75,583 1.495,584 4.376,585 0.208,586 0.011,587 0.078,588 0.055,589 0.049,590 0.024,591 0.019,592 0.014,593 0.015,594 0.006,595 0.482,596 0.33,597 1,598 0.65,599 100.919,600 -0.177,601 -0.145,603 0.025,604 -0.299,605 0.045,606 0.129,607 0.099,608 0.118,609 0.124,610 0.229,611 0.127,612 0.028,613 0.064,614 -0.058,615 -0.054,616 -0.022,617 -0.091,618 -0.028,619 -0.195,620 -0.07,621 -0.166,622 0.11,623 -0.152,624 -0.29,625 -0.099,626 -0.401,627 -0.3,628 -0.324,629 -0.315,630 0.158,631 0.206,632 0.131,633 0.152,634 0.018,635 0.117,636 0.034,637 -0.097,638 0.176,639 0.142,640 0.134,641 0.201,642 -0.294,643 0.053,644 -0.201,645 -0.045,646 -0.388,647 -0.158,648 1.521,649 2.096,650 0.727,651 15.818,652 1.01,653 1.135,654 2.88,655 8.292,656 0.695,657 3.219,658 3.555,659 3.807,660 4.06,661 4.248,662 4.234,663 4.304,664 4.369,665 4.5,666 4.394,667 5.489,668 0.665,669 314.81,670 3.219,671 4.762,672 5.609,673 6.491,674 7.352,675 8.235,676 9.101,677 9.984,678 10.853,679 11.736,680 16.2,684 2,686 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,714 1,717 1,718 37,719 17,720 1,721 24,723 39,724 15,725 13,726 2,727 4,729 3,730 4,731 1,741 13,742 2,753 1,754 1,757 15,758 6,759 4,760 7,761 1,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,807 1,810 22,811 2,816 1,821 1,828 1,836 11.667,837 6.86,838 4.778,839 1.943,840 3.298,841 1.48,842 1.013,843 4.007,844 10.17,845 3.512,846 4.174,847 4.781,848 5.383,849 5.956,850 6.17,851 6.507,852 6.859,853 7.273,854 7.279,855 1,856 35,857 8.035,859 3.364,860 7.785,861 15.121,863 12.088,865 2.285,866 50.278,870 129.482,871 84.889,872 119.275,873 39.149,877 84.889,878 168.631,879 119.275,880 8.396,881 2.106,882 122.652,883 50.357,884 16.427,885 4.227,886 129.482,887 39.149,888 129.482,889 204.164,891 39.149,893 129.482,897 11.05,898 142.758,899 89.505,901 129.482,902 119.275,903 124.038,906 129.482,907 19.635,908 68.378,910 155.3,911 129.482,912 119.275,913 124.038,915 0.589,916 0.345,917 0.188,918 0.097,919 17,920 8,921 0.077,922 3,923 1,924 1.125,925 3.388,926 171.821,927 0.125,928 16,929 98.107,933 14.818,934 5.949,935 3.083,936 1.188,937 119.275,938 11.391,939 12.581,943 2.904,945 65.794,946 372.795,947 32.5,956 37.353,957 42.01,958 0.311,959 0.692,960 0.833,961 0.934,962 0.944,963 0.944,964 4.738,965 1.038,966 5.609,967 3.059,968 4.234,969 4.86,970 0.918,971 6.422,972 4.104,973 5.972,974 1,975 7.174,976 2.567,977 3.892,978 4.745,979 0.325,980 7.31,981 3.653,982 7.292,983 0.184,984 8.836,985 2.562,986 5.832,987 7.137,988 0.671,989 10.405,990 5.584,991 8.646,992 -0.223,993 10.553,994 0.459,995 6.256,996 7.811,997 0.393,998 12.094,999 5.9,1000 10.029,1001 -0.414,1002 12.306,1003 -0.502,1004 7.707,1005 9.705,1006 0.533,1007 14.709,1008 7.339,1009 11.434,1010 -0.513,1011 14.084,1012 -1.078,1013 8.494,1014 10.777,1015 0.384,1016 16.743,1017 8.031,1018 12.856,1019 -0.815,1020 15.88,1021 -1.293,1022 9.744,1023 12.449,1024 0.438,1025 19.175,1026 9.256,1027 3.087,1028 -0.849,1029 17.691,1030 -2.015,1031 10.705,1032 13.729,1033 0.351,1034 21.36,1035 10.135,1036 2.954,1037 10.184,1038 19.512,1039 -2.213,1040 11.87,1041 15.298,1042 0.366,1043 23.718,1044 11.264,1045 2.414,1046 9.661,1047 21.342,1048 4.491,1049 12.913,1050 16.685,1051 0.312,1052 25.97,1053 12.236,1054 2.075,1055 7.022,1056 23.179,1057 3.835,1058 14.044,1059 18.209,1060 0.309,1061 28.297,1062 13.324,1063 1.991,1064 5.843,1065 25.021,1066 3.236,1067 15.123,1068 19.649,1069 0.273,1070 30.577,1071 14.341,1072 1.798,1073 5.79,1074 26.868,1075 2.811,1076 16.242,1077 21.154,1078 0.262,1079 32.892,1080 15.412,1081 1.414,1082 4.922,1083 28.719,1084 2.719,1085 17.339,1086 22.622,1087 0.236,1088 35.186,1089 16.451,1090 4784,1091 8531,1092 15.72,1093 25.699,1094 36.347,1095 36.424,1096 37.411,1097 36.126,1098 35.91,1099 48.796,1100 2.178,1101 104.137,1102 33.46,1103 5.371,1104 5.32,1105 6.189,1106 5.111,1107 5.087,1108 7.491,1109 1.605,1110 17.078,1111 4.938,1112 11.452,1113 1.514,1114 1.518,1115 1.559,1116 1.505,1117 1.496,1118 2.033,1119 0.091,1120 4.339,1121 1.394,1122 4.056,1123 4.1,1124 4.05,1125 3.93,1126 5.323,1127 3.948,1128 3.905,1129 3.937,1130 3.981,1131 3.833,1132 4.989,1133 3.831,1134 3.545,1135 3.614,1136 3.483,1137 3.36,1138 4.939,1139 3.379,1140 3.312,1141 3.4,1142 3.299,1143 3.098,1144 4.771,1145 3.107,1146 3.115,1147 3.229,1148 3.177,1149 2.825,1150 4.354,1151 2.858,1152 2.916,1153 3.018,1154 3.006,1155 2.8,1156 4.245,1157 2.772,1158 2.879,1159 2.922,1160 2.736,1161 2.706,1162 4.045,1163 2.702,1164 2.747,1165 2.811,1166 2.582,1167 2.618,1168 3.903,1169 2.59,1170 0.189,1171 0.138,1172 0.271,1173 0.168,1174 0.129,1175 4.542,1176 0.187,1177 3.32,1178 0.038,1179 6.504,1180 0.424,1181 4.038,1182 0.122,1183 3.087,1184 4.491,1185 0.916,1186 10.184,1187 2.938,1188 1.974,1189 1.938,1190 2.039,1191 2.123,1192 1.164,1193 2.099,1194 1.88,1195 1.854,1196 1.967,1197 1.98,1198 1.049,1199 1.984,1200 1.489,1201 1.424,1202 1.691,1203 1.709,1204 0.804,1205 1.708,1206 1.271,1207 1.188,1208 1.516,1209 1.527,1210 0.544,1211 1.535,1212 1.008,1213 0.912,1214 1.292,1215 1.383,1216 0.312,1217 1.364,1218 0.92,1219 0.824,1220 1.268,1221 1.189,1222 0.183,1223 1.231,1224 0.869,1225 0.819,1226 1.123,1227 1.024,1228 0.076,1229 1.067,1230 0.751,1231 0.697,1232 0.936,1233 0.928,1235 0.947,1236 3.892,1238 5.22,1240 6.749,1242 8.371,1244 10.041,1246 1.954,1247 6.207,1250 11.447,1252 0.587,1257 2.019,1262 24.59,1263 60.033,1264 133.366,1265 160.485,1266 179.995,1267 181.995,1268 181.995,1269 29.103,1270 6.871,1271 93.95,1272 93.95,1273 18,1274 12.273,1275 4.17,1276 3.248,1277 34.549,1278 73,1279 64,1280 0.236,1281 158.155,1282 258.37,1283 377.658,1284 8161,1285 2.7,1286 15.69,1287 0.713,1288 0.579,1289 16.19,1290 12.749,1291 10.542,1292 0.439,1293 0.294,1294 6.619,1295 9.886,1296 6.403,1297 5.335,1298 10.83,1299 7.065,1300 9.795,1301 0.288,1302 0.157,1303 10.166,1304 5.352,1305 7.981,1306 0.181,1307 0.082,1308 8.339,1309 3.627,1310 6.876,1311 0.121,1312 0.045,1313 7.226,1314 2.553,1315 5.206,1316 0.075,1317 0.022,1318 5.377,1319 1.539,1320 0.367,1321 68.887,1322 0.252,1323 21.6,1324 0.657,1325 116,1326 333.408,1327 142.038,1328 363.583,1329 494.09,1330 338,1331 136,1332 352.468,1333 158.97,1334 370.334,1335 539.87,1336 347,1337 6.921}
{0 CHEMBL53420,1 1.804,2 10.174,3 4.047,4 16.377,5 94.781,6 10.872,7 0.68,8 3.677,9 3.793,10 3.541,11 3.275,12 4.941,13 3.275,14 4.121,15 4.257,16 3.981,17 3.66,18 5.429,19 3.638,20 4.358,21 4.52,22 4.27,23 3.799,24 5.692,25 3.743,26 4.301,27 4.484,28 3.999,29 3.649,30 5.571,31 3.572,32 4.255,33 4.474,34 3.567,35 3.506,36 5.387,37 3.405,38 4.168,39 4.404,40 3.443,41 3.409,42 5.271,43 3.291,44 3.946,45 4.156,46 3.55,47 3.302,48 5.101,49 3.215,50 3.773,51 3.929,52 3.592,53 3.246,54 5.085,55 3.17,56 0.153,57 0.546,58 2.476,59 2.19,60 15.634,61 2.108,62 0.268,63 0.809,64 5.54,65 4.018,66 21.89,67 4.509,68 0.537,69 0.926,70 19.49,71 5.364,72 42.495,73 5.307,74 0.462,75 0.846,76 16.473,77 5.502,78 38.527,79 6.143,80 0.442,81 0.788,82 16.764,83 5.506,84 44.592,85 6.252,86 0.471,87 0.686,88 19.377,89 5.273,90 44.859,91 5.935,92 0.336,93 0.537,94 13.99,95 4.318,96 29.388,97 5.119,98 0.251,99 0.459,100 9.204,101 3.405,102 21.44,103 3.826,104 26,105 36,106 0.33,107 0.672,108 0.785,109 0.854,110 0.854,111 0.854,112 3.188,113 0.917,114 -4.35,115 -4.29,116 -4.04,119 41.2,125 1,139 4,141 4,143 3,144 1,147 1,157 2,158 2,159 2,166 1,169 1,170 2,172 3,173 3,175 2,178 3,181 2,182 2,184 1,185 2,187 1,189 4,193 1,195 1,196 1,197 1,198 5,200 2,201 3,204 2,205 1,207 3,209 1,210 1,212 3,215 2,218 2,224 2,225 1,228 1,229 2,234 2,241 2,246 5,250 1,251 2,253 1,254 3,256 2,268 1,273 668,274 15.033,275 15.033,276 15.033,277 15.033,278 15.033,279 12.814,280 18.77,281 8.6,282 15.654,283 12.296,284 12.296,285 12.296,286 12.296,287 12.296,288 8.997,289 27.107,290 4.095,291 13.547,292 3.283,293 1.408,294 0.787,295 0.412,296 0.412,297 0.412,298 3.865,299 3,300 1,301 1,302 1,303 498,304 2.55,307 194.067,311 101.508,314 1.486,315 26.119,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 50,327 234,328 4.541,329 3.499,330 6.502,331 4.032,332 3.079,333 4.491,334 0.657,335 10.175,336 2.933,337 4.363,338 3.131,339 6.31,340 3.867,341 2.983,342 4.057,344 9.3,345 2.602,346 3.782,347 2.72,348 5.369,349 3.384,350 2.444,351 3.238,353 6.998,354 2.286,355 3.528,356 2.623,357 5.199,358 3.109,359 2.192,360 2.849,362 6.457,363 1.932,364 3.427,365 2.41,366 5.062,367 2.96,368 2.028,369 2.811,371 5.8,372 1.881,373 3.352,374 2.171,375 4.964,376 2.89,377 1.944,378 2.674,380 5.734,381 1.82,382 3.232,383 2.037,384 4.879,385 2.707,386 1.879,387 2.481,389 5.225,390 1.441,391 2.454,392 1.767,393 3.71,394 1.96,395 1.01,396 1.435,398 2.565,399 0.957,400 1.99,401 1.06,402 3.408,403 1.697,404 0.803,405 0.919,407 1.945,408 0.698,409 1.576,410 0.947,411 2.936,412 1.106,413 0.385,414 0.432,415 0.881,416 0.221,417 1.291,418 0.196,419 2.684,420 0.847,421 -0.014,422 -0.018,423 -0.036,424 -0.012,425 1,426 0.173,427 2.653,428 0.478,429 -0.347,430 -0.445,431 -0.898,432 -0.229,433 0.969,434 -0.205,435 2.523,436 0.473,437 -0.441,438 -0.57,439 -1.146,440 -0.402,441 0.618,442 -0.3,443 2.322,444 0.215,445 -0.672,446 -0.783,448 -1.785,449 -0.531,450 0.47,451 -0.485,452 2,453 0.132,454 -0.815,455 -1.095,457 -2.253,458 -0.702,459 11.543,460 0.502,461 0.736,462 0.032,463 33.25,464 1.446,465 17.5,466 0.761,467 15.75,468 0.685,469 16.752,470 0.728,471 23.857,472 0.702,473 22.276,474 0.969,475 6.483,476 0.282,477 4.452,478 0.194,479 0.255,481 0.39,485 0.91,486 1.205,487 0.505,488 0.601,489 1.052,490 0.612,491 0.676,492 1.117,493 0.549,494 0.74,495 0.528,496 0.749,497 0.981,498 0.956,499 0.769,500 0.773,501 0.876,502 0.867,503 0.737,504 1.215,505 0.749,506 1.111,507 0.696,508 1.157,509 0.932,510 1.087,511 0.91,512 1.132,513 1.075,514 1.223,515 1.096,516 0.633,517 1.061,518 0.917,519 1.19,520 1.061,521 0.806,522 0.86,523 0.826,524 0.861,525 0.77,526 0.857,527 0.973,528 1.059,529 1.031,530 0.997,531 0.931,532 0.961,533 6,534 0.14,535 2.889,536 1.813,537 1.822,538 0.41,539 0.384,540 0.373,541 0.188,542 0.258,543 5737,544 23693,545 2.016,546 32.4,548 6,551 5,555 1.653,556 1.84,557 3.298,558 2.803,560 1,564 61.352,565 1.804,566 3.679,567 4.301,568 4.676,569 4.676,570 4.676,571 2.736,572 4.263,573 4.5,574 3.447,575 872.067,576 7.72,577 10036.6,579 1,580 1,581 1,582 172.974,583 1.538,584 4.428,585 0.24,586 0.009,587 0.08,588 0.049,589 0.063,590 0.019,591 0.02,592 0.019,593 0.009,594 0.015,595 0.524,596 0.17,597 1,598 0.675,599 108.363,600 -0.237,601 -0.017,602 -0.028,603 0.134,604 -0.324,605 0.11,606 0.063,607 -0.004,608 0.064,609 0.072,610 0.149,611 0.063,612 -0.012,613 0.098,614 0.116,615 0.123,616 -0.008,617 -0.002,618 0.125,619 -0.227,620 0.071,621 -0.184,622 0.157,623 -0.199,624 -0.102,625 -0.133,626 -0.116,627 -0.177,628 -0.162,629 -0.194,630 -0.172,631 0.297,632 -0.145,633 0.091,634 -0.264,635 0.011,636 0.075,637 0.045,638 0.11,639 0.165,640 0.075,641 0.23,642 -0.015,643 -0.108,644 -0.01,645 -0.007,646 0.057,647 0.013,648 1.548,649 1.887,650 0.696,651 17.784,652 1.033,653 1.132,654 3.123,655 9.752,656 0.755,657 3.258,658 3.611,659 3.85,660 4.078,661 4.29,662 4.29,663 4.29,664 4.357,665 4.489,666 4.511,667 5.981,668 0.727,669 369.66,670 3.258,671 4.812,672 5.659,673 6.541,674 7.402,675 8.283,676 9.149,677 10.029,678 10.897,679 11.777,680 17.6,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,717 3,718 34,719 17,720 1,721 25,723 36,724 14,725 13,726 4,727 2,729 3,730 4,731 3,741 13,742 1,754 1,757 11,758 6,759 5,760 9,761 3,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,807 3,810 23,811 2,816 1,817 1,828 3,836 12.5,837 6.029,838 4.944,839 1.747,840 3.339,841 1.476,842 1.021,843 4.636,844 10.347,845 3.541,846 4.234,847 4.834,848 5.427,849 6.004,850 6.235,851 6.488,852 6.832,853 7.258,854 7.335,855 0.857,856 37,857 8.378,859 3.572,860 7.949,861 15.46,863 12.429,865 2.449,866 56.333,870 70.627,871 64.541,872 134.162,873 117.446,877 64.541,878 188.073,879 134.162,881 2.106,882 103.699,883 68.367,884 20.304,885 4.227,886 70.627,887 117.446,888 70.627,889 198.703,891 117.446,893 70.627,897 11.05,898 119.286,899 185.813,901 70.627,902 134.162,903 181.987,906 70.627,907 26.636,908 37.905,909 18.011,910 233.597,911 70.627,912 134.162,913 181.987,915 0.597,916 0.348,917 0.178,918 0.095,919 18,920 9,921 0.083,922 3,923 1,924 1.125,925 3.485,926 180.692,927 0.125,928 16,929 98.042,933 16.33,934 6.529,935 3.53,936 1.099,937 134.162,938 6.986,939 12.422,943 2.917,945 83.805,946 386.776,947 33.5,956 35.116,957 38.483,958 0.355,959 0.723,960 0.845,961 0.919,962 0.919,963 0.919,964 4.781,965 1.01,966 5.673,967 5.225,968 4.29,969 4.92,970 0.623,971 6.485,972 4.104,973 6.034,974 0.803,975 7.244,976 2.565,977 4.007,978 4.913,980 7.353,981 3.664,982 7.368,983 0.385,984 8.906,985 1.945,986 5.9,987 7.229,988 0.317,989 10.429,990 5.568,991 8.735,992 -0.014,993 10.618,994 0.881,995 6.347,996 7.966,998 12.057,999 5.858,1000 10.127,1001 -0.347,1002 12.362,1003 -0.036,1004 7.769,1005 9.812,1006 0.149,1007 14.674,1008 7.291,1009 11.537,1010 -0.441,1011 14.127,1012 -0.898,1013 8.561,1014 10.918,1016 16.655,1017 7.949,1018 12.963,1019 -0.672,1020 15.91,1021 -1.146,1022 9.795,1023 12.565,1024 0.067,1025 19.092,1026 9.173,1027 3.079,1028 -0.815,1029 17.706,1030 -1.785,1031 10.756,1032 13.861,1034 21.242,1035 10.027,1036 2.983,1037 10.175,1038 19.513,1039 -2.253,1040 11.914,1041 15.417,1042 0.03,1043 23.602,1044 11.155,1045 2.444,1046 9.3,1047 21.329,1048 4.491,1049 12.955,1050 16.81,1052 25.833,1053 12.111,1054 2.192,1055 6.998,1056 23.153,1057 4.057,1058 14.083,1059 18.326,1060 0.013,1061 28.16,1062 13.198,1063 2.028,1064 6.457,1065 24.983,1066 3.238,1067 15.161,1068 19.767,1070 30.428,1071 14.206,1072 1.944,1073 5.8,1074 26.82,1075 2.849,1076 16.278,1077 21.265,1078 0.006,1079 32.742,1080 15.277,1081 1.879,1082 5.734,1083 28.66,1084 2.811,1085 17.374,1086 22.73,1088 35.029,1089 16.312,1090 5614,1091 11558,1092 16.126,1093 25.654,1094 37.691,1095 39.161,1096 39.081,1097 37.664,1098 37.492,1099 50.773,1100 1.315,1101 110.16,1102 33.54,1103 5.367,1104 5.499,1105 5.851,1106 5.104,1107 5.079,1108 7.491,1109 1.315,1110 17.069,1111 4.933,1112 13.576,1113 1.508,1114 1.566,1115 1.563,1116 1.507,1117 1.5,1118 2.031,1119 0.053,1120 4.406,1121 1.342,1122 4.054,1123 4.097,1124 4.193,1125 3.931,1126 5.324,1127 3.947,1128 3.908,1129 3.924,1130 4.019,1131 3.856,1132 5.105,1133 3.851,1134 3.527,1135 3.593,1136 3.582,1137 3.344,1138 4.988,1139 3.364,1140 3.203,1141 3.279,1142 3.504,1143 3.014,1144 4.778,1145 3.021,1146 3.112,1147 3.228,1148 3.35,1149 2.849,1150 4.632,1151 2.851,1152 2.901,1153 2.918,1154 3.18,1155 2.817,1156 4.449,1157 2.815,1158 2.834,1159 2.879,1160 3.009,1161 2.717,1162 4.303,1163 2.708,1164 2.617,1165 2.739,1166 2.848,1167 2.319,1168 4.142,1169 2.331,1170 0.182,1171 0.14,1172 0.26,1173 0.161,1174 0.123,1175 4.541,1176 0.18,1177 3.499,1178 0.026,1179 6.502,1180 0.407,1181 4.032,1182 0.117,1183 3.079,1184 4.491,1185 0.657,1186 10.175,1187 2.933,1188 1.971,1189 1.936,1190 2.03,1191 2.121,1192 1.135,1193 2.096,1194 1.863,1195 1.851,1196 1.887,1197 1.94,1198 1.038,1199 1.944,1200 1.457,1201 1.398,1202 1.598,1203 1.673,1204 0.735,1205 1.662,1206 1.141,1207 1.071,1208 1.368,1209 1.387,1210 0.331,1211 1.394,1212 0.997,1213 0.896,1214 1.272,1215 1.383,1216 0.105,1217 1.364,1218 0.849,1219 0.827,1220 1,1221 0.962,1222 0.005,1223 1.004,1224 0.776,1225 0.742,1226 0.927,1227 0.959,1229 0.965,1230 0.556,1231 0.439,1232 0.819,1233 0.89,1235 0.903,1236 3.932,1238 5.273,1240 6.806,1242 8.431,1244 10.104,1247 17.916,1250 11.386,1252 0.439,1253 3.169,1262 24.718,1263 61.352,1264 125.099,1265 146.219,1266 158.974,1267 158.974,1268 158.974,1269 36.469,1270 7.009,1271 102.74,1272 102.74,1273 18,1274 12.315,1275 4.17,1276 3.248,1277 37.065,1278 84,1279 70,1280 0.22,1281 165.228,1282 271.49,1283 394.917,1284 9883,1285 8.8,1286 16.56,1287 0.72,1288 0.605,1289 18.06,1290 13.915,1291 10.936,1292 0.437,1293 0.306,1294 6.514,1295 9.778,1296 6.295,1297 5.171,1298 11.802,1299 7.642,1300 10.385,1301 0.288,1302 0.165,1303 11.46,1304 5.937,1305 8.555,1306 0.186,1307 0.093,1308 10.053,1309 4.299,1310 6.878,1311 0.119,1312 0.046,1313 7.724,1314 2.641,1315 5.352,1316 0.074,1317 0.023,1318 5.837,1319 1.651,1320 0.347,1321 77.396,1322 0.249,1323 22.649,1324 0.593,1325 122,1326 390.503,1327 178.716,1328 477.045,1329 622.41,1330 440,1331 143,1332 395.419,1333 197.637,1334 431.326,1335 632.73,1336 405,1337 7.357}
{0 CHEMBL53693,1 1.597,2 10.833,3 2.909,4 8.463,5 117.452,6 7.113,7 0.531,8 4.154,9 4.286,10 3.67,11 3.575,12 5.297,13 3.576,14 4.675,15 4.876,16 4.023,17 3.929,18 5.738,19 3.922,20 4.805,21 4.971,22 4.198,23 4.146,24 5.884,25 4.128,26 5.042,27 5.235,28 4.254,29 4.302,30 6.117,31 4.231,32 5.241,33 5.484,34 4.135,35 4.349,36 6.17,37 4.248,38 5.19,39 5.427,40 4.069,41 4.312,42 6.106,43 4.197,44 5.206,45 5.464,46 3.975,47 4.262,48 6.069,49 4.135,50 5.156,51 5.436,52 3.934,53 4.167,54 6.051,55 4.028,56 0.068,57 0.854,58 13.02,59 4.674,60 14.719,61 6.721,62 0.455,63 1.258,64 24.489,65 7.582,66 38.84,67 10.854,68 0.45,69 1.555,70 26.45,71 8.485,72 26.18,73 12.657,74 0.532,75 1.83,76 34.041,77 12.286,78 48.795,79 17.683,80 0.76,81 1.957,82 44.524,83 12.985,84 70.142,85 19.869,86 0.639,87 1.854,88 41.822,89 13.479,90 58.212,91 19.805,92 0.683,93 1.772,94 43.613,95 13.222,96 63.685,97 19.932,98 0.612,99 1.65,100 41.803,101 12.787,102 63.271,103 19.825,104 81,105 46,106 0.262,107 0.587,108 0.745,109 0.764,110 0.772,111 0.795,112 3.441,113 0.894,114 -3.33,115 -3.31,116 -3.17,119 36.2,120 3,124 3,125 1,127 1,139 2,140 3,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 11,172 3,173 3,175 1,178 5,180 1,181 2,182 6,187 1,191 1,192 5,193 9,195 3,196 3,197 1,198 3,200 2,201 8,204 3,205 1,206 1,212 1,215 4,218 1,220 2,221 10,223 1,224 1,226 2,229 8,231 2,234 5,245 2,246 13,248 1,249 1,251 4,256 4,259 1,260 2,273 1440,274 19.903,275 19.903,276 19.903,277 19.903,278 19.903,279 17.794,280 30.723,281 11.277,282 20.759,283 15.538,284 15.538,285 15.538,286 15.538,287 15.538,288 12.156,289 45.968,290 5.003,291 16.646,292 4.261,293 2.276,294 1.316,295 1.199,296 1.152,297 1.009,298 4.115,301 1,302 1,303 676,304 3.873,307 272.239,311 144.063,314 1.511,315 27.945,318 1,319 0.83,320 1,321 1,322 1,323 1,324 1,325 0.98,326 66,327 325,328 4.657,329 3.435,330 6.84,331 4.197,332 3.226,333 4.616,334 0.916,335 11.253,336 3.138,337 4.45,338 3.322,339 6.591,340 4.063,341 3.117,342 4.122,343 0.86,344 10.5,345 2.941,346 4.004,347 3.12,348 6.33,349 3.744,350 2.813,351 3.431,352 0.86,353 9.494,354 2.615,355 3.813,356 2.656,357 5.773,358 3.431,359 2.479,360 3.121,361 0.86,362 7.75,363 2.358,364 3.452,365 2.555,366 5.19,367 2.974,368 2.061,369 2.861,370 0.172,371 6.118,372 1.901,373 3.372,374 2.184,375 5.097,376 2.972,377 2.039,378 2.695,380 5.917,381 1.867,382 3.355,383 2.086,384 5.012,385 2.896,386 1.97,387 2.604,389 5.796,390 1.818,391 3.066,392 2.041,393 4.901,394 2.823,395 1.854,396 2.151,398 5.196,399 1.791,400 2.702,401 1.842,402 4.25,403 2.309,404 1.356,405 1.772,407 3.542,408 1.289,409 2.218,410 1.614,411 3.841,412 2.005,413 1.16,414 1.205,415 2.55,416 0.976,417 1.973,418 1.084,419 3.494,420 1.749,421 0.825,422 0.921,423 1.935,424 0.757,425 1.576,426 0.928,427 2.97,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.485,434 0.916,435 2.859,436 1.19,437 0.33,438 0.358,439 0.516,440 0.28,441 1.371,442 0.426,443 2.822,444 1.071,445 0.15,446 0.181,448 0.301,449 0.139,450 1.193,451 0.117,452 2.659,453 0.837,454 -0.113,455 -0.139,457 -0.293,458 -0.107,459 13.9,460 0.463,461 0.874,462 0.029,463 39.25,464 1.308,465 19,466 0.633,467 20.25,468 0.675,469 28.427,470 0.948,471 34.1,472 0.588,473 32.291,474 1.076,475 7.9,476 0.263,477 6.399,478 0.213,479 0.273,481 0.424,485 1,486 1.552,487 0.854,488 1.289,489 1.161,490 1.07,491 1.23,492 0.844,493 0.742,494 0.707,495 0.75,496 0.658,497 0.953,498 1.283,499 0.929,500 1.07,501 0.808,502 0.99,503 0.61,504 1.257,505 0.968,506 1.342,507 0.564,508 1.246,509 1.22,510 0.979,511 1.155,512 0.999,513 1.209,514 1.055,515 1.089,516 1.02,517 1.158,518 1.16,519 0.97,520 1.179,521 1.172,522 0.957,523 1.1,524 1.024,525 1.011,526 1.055,527 0.771,528 1.024,529 0.868,530 1.041,531 0.714,532 0.994,533 7,534 0.206,535 4,536 3.125,537 2.773,538 1.472,539 0.913,540 0.71,541 0.353,542 0.369,543 10044,544 28042,545 1.955,546 48.3,547 3,548 14,550 1,551 4,553 6,555 1.733,556 1.765,557 3.367,558 1.664,560 1,564 92.654,565 1.597,566 3.582,567 4.542,568 4.659,569 4.706,570 4.849,571 2.802,572 4.282,573 4.881,574 3.523,575 1532.38,576 8.54,577 20625.2,579 1,581 1,582 339.763,583 1.566,584 4.796,585 0.219,586 0.009,587 0.087,588 0.058,589 0.051,590 0.031,591 0.021,592 0.018,593 0.01,594 0.013,595 0.517,596 0.17,597 1,598 1.06,599 151.908,600 -0.085,601 -0.247,602 0.05,603 -0.131,604 -0.189,605 -0.025,606 -0.03,607 0.254,608 0.249,609 0.32,610 0.182,611 0.323,612 0.037,613 -0.052,614 0.007,615 0.017,616 0.005,617 0.019,618 0.222,619 -0.119,620 -0.046,621 -0.244,622 0.245,623 -0.209,624 -0.191,625 0.025,626 -0.174,627 -0.008,628 -0.246,629 -0.075,630 -0.119,631 -0.019,632 -0.193,633 -0.132,634 -0.133,635 -0.173,636 -0.162,637 -0.028,638 -0.116,639 -0.025,640 -0.143,641 -0.058,642 0.084,643 -0.14,644 0.108,645 -0.049,646 0.15,647 0.017,648 1.555,649 2.105,650 0.533,651 25.067,652 1.005,653 1.141,654 2.098,655 4.4,656 0.634,657 3.497,658 3.85,659 4.159,660 4.443,661 4.654,662 4.754,663 4.82,664 4.898,665 4.913,666 4.942,667 6.328,668 0.605,669 412.55,670 3.497,671 5.056,672 5.927,673 6.83,674 7.718,675 8.625,676 9.518,677 10.425,678 11.321,679 12.228,680 10.3,684 2,686 1,690 3,694 2,695 3,696 3,700 8,702 17,711 2,714 1,716 3,718 58,719 17,720 1,721 32,723 60,724 21,725 13,726 4,727 2,729 3,730 4,734 3,739 1,741 13,742 8,754 1,757 28,758 9,759 4,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 6,810 30,811 2,816 1,818 3,820 1,821 1,829 5.2,834 3,836 17,837 12.3,838 6.806,839 3.158,840 3.298,841 1.442,842 0.946,843 6.731,844 10.76,845 3.726,846 4.382,847 5.017,848 5.634,849 6.197,850 6.511,851 6.822,852 7.155,853 7.494,854 7.655,855 1,856 54,857 11.005,859 4.486,860 7.733,861 20.835,863 16.276,865 2.233,866 67,869 1,870 282.506,871 122.604,872 119.275,874 33,877 122.604,878 315.506,879 119.275,880 59.125,881 2.106,882 84.747,883 62.128,884 74.318,885 4.227,886 270.735,888 282.506,889 241.879,890 33,893 213.595,894 103.626,897 39.528,898 150.279,899 50.357,901 282.506,902 152.275,903 122.604,906 282.506,907 35.479,908 90.249,910 149.151,911 282.506,912 152.275,913 122.604,915 0.584,916 0.365,917 0.207,918 0.11,919 21,920 12,921 0.117,922 7,923 1,924 1.125,925 3.815,926 272.677,927 0.125,928 16,929 137.207,933 22.185,934 9.102,935 4.35,936 1.209,937 152.275,938 5.67,939 12.732,943 5.09,945 65.794,946 557.385,947 40.5,956 58.312,957 66.185,958 0.273,959 0.611,960 0.775,961 0.795,962 0.803,963 0.828,964 4.985,965 1.854,966 5.948,967 5.796,968 4.533,969 5.069,970 1.938,971 6.821,972 4.41,973 6.225,974 1.356,975 7.555,976 5.196,977 4.29,978 5.085,979 0.325,980 7.856,981 4.138,982 7.565,983 1.16,984 9.26,985 3.542,986 6.192,987 7.366,988 1.656,989 10.967,990 5.975,991 8.942,992 0.825,993 11.019,994 2.55,995 6.723,996 8.16,997 0.393,998 12.781,999 6.474,1000 10.348,1001 0.396,1002 12.811,1003 1.935,1004 8.14,1005 9.975,1006 1.418,1007 15.431,1008 7.844,1009 11.774,1010 0.33,1011 14.627,1012 0.603,1013 9.014,1014 11.138,1015 0.384,1016 17.572,1017 8.685,1018 13.218,1019 0.15,1020 16.46,1021 0.516,1022 10.255,1023 12.77,1024 1.207,1025 20.058,1026 9.887,1027 3.226,1028 -0.113,1029 18.306,1030 0.301,1031 11.283,1032 14.114,1033 0.351,1034 22.34,1035 10.881,1036 3.117,1037 11.253,1038 20.162,1039 -0.293,1040 12.46,1041 15.672,1042 1.019,1043 24.765,1044 12.023,1045 2.813,1046 10.5,1047 22.026,1048 4.616,1049 13.555,1050 17.104,1051 0.312,1052 27.109,1053 13.085,1054 2.479,1055 9.494,1056 23.897,1057 4.122,1058 14.71,1059 18.632,1060 0.852,1061 29.513,1062 14.208,1063 2.061,1064 7.75,1065 25.773,1066 3.431,1067 15.836,1068 20.107,1069 0.273,1070 31.885,1071 15.301,1072 2.039,1073 6.118,1074 27.655,1075 3.121,1076 16.986,1077 21.625,1078 0.706,1079 34.283,1080 16.42,1081 1.97,1082 5.917,1083 29.539,1084 2.861,1085 18.125,1086 23.121,1087 0.236,1088 36.669,1089 17.529,1090 10059,1091 16954,1092 20.115,1093 36.773,1094 47.549,1095 48.966,1096 51.577,1097 47.396,1098 47.556,1099 60.979,1100 7.338,1101 142.942,1102 44.423,1103 5.504,1104 5.435,1105 6.382,1106 5.272,1107 5.226,1108 7.616,1109 1.776,1110 18.532,1111 5.138,1112 20.09,1113 1.486,1114 1.53,1115 1.612,1116 1.481,1117 1.486,1118 1.906,1119 0.229,1120 4.467,1121 1.388,1122 4.081,1123 4.12,1124 4.055,1125 3.966,1126 5.322,1127 3.983,1128 3.941,1129 3.962,1130 3.908,1131 3.829,1132 4.983,1133 3.845,1134 3.651,1135 3.708,1136 3.55,1137 3.478,1138 4.974,1139 3.482,1140 3.492,1141 3.565,1142 3.386,1143 3.312,1144 4.805,1145 3.324,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.248,1153 3.318,1154 3.069,1155 2.998,1156 4.469,1157 3.005,1158 3.195,1159 3.281,1160 3.049,1161 2.943,1162 4.353,1163 2.949,1164 3.165,1165 3.257,1166 2.963,1167 2.891,1168 4.16,1169 2.89,1170 0.146,1171 0.107,1172 0.214,1173 0.131,1174 0.101,1175 4.657,1176 0.144,1177 3.435,1178 0.029,1179 6.84,1180 0.352,1181 4.197,1182 0.098,1183 3.226,1184 4.616,1185 0.916,1186 11.253,1187 3.138,1188 2.001,1189 1.97,1190 2.07,1191 2.137,1192 1.271,1193 2.116,1194 1.88,1195 1.864,1196 1.97,1197 2.02,1198 1.134,1199 2.003,1200 1.623,1201 1.561,1202 1.855,1203 1.826,1204 1.003,1205 1.835,1206 1.442,1207 1.377,1208 1.614,1209 1.668,1210 0.711,1211 1.664,1212 1.227,1213 1.163,1214 1.59,1215 1.558,1216 0.584,1217 1.565,1218 1.202,1219 1.127,1220 1.571,1221 1.514,1222 0.572,1223 1.532,1224 1.165,1225 1.076,1226 1.545,1227 1.462,1228 0.561,1229 1.493,1230 1.135,1231 1.046,1232 1.486,1233 1.408,1234 0.553,1235 1.429,1236 4.174,1238 5.517,1240 7.069,1242 8.722,1244 10.428,1246 11.016,1250 11.808,1252 0.592,1254 16.483,1256 0.183,1257 2.217,1262 35.068,1263 92.654,1264 207.75,1265 263.459,1266 270.214,1267 272.969,1268 281.234,1269 54.583,1270 7.462,1271 121.64,1272 121.64,1273 18,1274 12.747,1275 4.17,1276 3.248,1277 55.06,1278 113,1279 116,1280 0.239,1281 219.365,1282 373.33,1283 527.01,1284 16200,1286 21.999,1287 0.733,1288 0.606,1289 21.999,1290 18.185,1291 14.298,1292 0.447,1293 0.298,1294 9.323,1295 13.476,1296 8.867,1297 7.51,1298 14.298,1299 9.54,1300 12.872,1301 0.28,1302 0.156,1303 12.872,1304 7.179,1305 10.918,1306 0.173,1307 0.081,1308 10.918,1309 5.08,1310 9.544,1311 0.114,1312 0.041,1313 9.544,1314 3.481,1315 7.301,1316 0.07,1317 0.022,1318 7.301,1319 2.286,1320 0.368,1321 91.522,1322 0.223,1323 27.777,1324 0.677,1325 156,1326 484.412,1327 175.543,1328 459.41,1329 634.36,1330 432,1331 187,1332 474.594,1333 207.181,1334 484.054,1335 706.59,1336 448,1337 7.757}
{0 CHEMBL53872,1 1.833,2 11.655,3 4.428,4 19.603,5 103.594,6 9.1,7 0.548,8 3.916,9 4.035,10 3.617,11 3.415,12 5.258,13 3.456,14 4.411,15 4.562,16 4.07,17 3.756,18 6.167,19 3.798,20 4.597,21 4.762,22 4.108,23 3.906,24 6.223,25 3.92,26 4.682,27 4.876,28 4.016,29 3.945,30 6.016,31 3.922,32 4.758,33 4.979,34 3.929,35 3.915,36 6.113,37 3.88,38 4.655,39 4.909,40 3.737,41 3.799,42 5.888,43 3.735,44 4.411,45 4.627,46 3.707,47 3.699,48 5.615,49 3.646,50 4.417,51 4.605,52 3.774,53 3.627,54 5.828,55 3.635,56 0.232,57 0.916,58 5.664,59 3.377,60 48.103,61 3.465,62 0.907,63 1.702,64 12.35,65 5.697,66 153.122,67 6.058,68 0.869,69 1.474,70 14.905,71 6.562,72 149.157,73 7.384,74 0.655,75 1.59,76 18.316,77 8.114,78 92.009,79 9.741,80 0.933,81 1.661,82 23.133,83 8.702,84 151.077,85 10.082,86 0.897,87 1.359,88 23.887,89 8.022,90 138.596,91 10.189,92 0.555,93 1.114,94 15.7,95 6.316,96 75.266,97 8.511,98 0.584,99 1.239,100 14.464,101 5.871,102 112.525,103 6.572,104 58,105 45,106 0.314,107 0.699,108 0.793,109 0.853,110 0.853,111 0.853,112 3.408,113 0.801,114 -4.25,115 -4.19,116 -3.96,119 43.2,125 2,131 1,137 1,138 1,139 6,140 1,141 1,143 3,144 1,147 1,152 1,157 2,158 2,159 2,166 6,169 1,170 6,172 3,173 3,178 4,181 3,182 8,184 1,185 1,189 2,193 5,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,207 4,209 1,210 1,212 2,215 7,218 2,220 3,221 3,223 1,224 1,229 9,234 1,241 5,246 7,248 1,249 1,251 3,254 1,256 3,259 1,260 8,265 3,270 3,273 1429,274 18.789,275 18.789,276 18.789,277 18.789,278 18.789,279 16.493,280 22.221,281 10.841,282 19.35,283 15.237,284 15.237,285 15.237,286 15.237,287 15.237,288 11.671,289 27.463,290 5.058,291 16.245,292 3.627,293 1.376,294 0.824,295 0.472,296 0.472,297 0.472,298 4.083,301 1,302 1,303 706,304 4.301,307 273.303,311 145.477,314 1.85,315 52.399,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 66.5,327 338,328 4.542,329 4.572,330 7.182,331 4.241,332 3.349,333 4.491,334 3.904,335 11.845,336 3.05,337 4.497,338 3.254,339 6.503,340 4.037,341 3.085,342 3.894,343 1.102,344 10.183,345 2.937,346 4.102,347 3.131,348 6.166,349 3.801,350 2.862,351 3.447,352 0.766,353 9.16,354 2.677,355 3.77,356 3.08,357 5.555,358 3.364,359 2.42,360 3.223,361 0.461,362 7.256,363 2.268,364 3.596,365 2.539,366 5.291,367 3.198,368 2.267,369 2.811,371 6.762,372 2.065,373 3.432,374 2.315,375 5.062,376 2.962,377 2.03,378 2.801,380 5.803,381 1.884,382 3.422,383 2.176,384 4.972,385 2.894,386 1.946,387 2.654,389 5.756,390 1.837,391 3.35,392 2.043,393 4.371,394 2.541,395 1.572,396 2.086,398 4.146,399 1.51,400 2.676,401 1.907,402 3.815,403 2,404 1.012,405 1.5,407 2.565,408 1,409 2.5,410 1.241,411 3.709,412 1.988,413 1,414 1.462,415 2.275,416 0.977,417 2.452,418 1.057,419 3.414,420 1.948,421 0.981,422 1.413,423 2.169,424 0.94,425 2.337,426 1,427 3.155,428 1.744,429 0.74,430 1.066,431 1.59,432 0.729,433 1.535,434 0.51,435 2.828,436 1.104,437 0.159,438 0.208,439 0.376,440 0.15,441 1.094,442 0.51,443 2.669,444 0.59,445 -0.348,446 -0.453,448 -0.73,449 -0.325,450 0.991,451 0.38,452 2.526,453 0.52,454 -0.466,455 -0.596,457 -1.053,458 -0.429,459 13.09,460 0.451,461 0.987,462 0.034,463 40.25,464 1.388,465 21,466 0.724,467 19.25,468 0.664,469 20.557,470 0.709,471 31.31,472 0.712,473 35.087,474 1.21,475 8.352,476 0.288,477 5.333,478 0.184,479 0.19,480 0.038,481 0.336,482 3,485 0.672,486 1.034,487 0.635,488 0.959,489 0.705,490 0.82,491 0.474,492 0.794,493 0.614,494 0.927,495 0.418,496 0.862,497 0.511,498 0.809,499 0.84,500 0.981,501 0.418,502 1.026,503 0.632,504 0.927,505 0.899,506 1.171,507 0.559,508 1.171,509 0.963,510 0.975,511 1.154,512 1.087,513 0.931,514 1.17,515 0.761,516 0.675,517 1.038,518 0.819,519 0.768,520 0.975,521 0.326,522 0.584,523 0.742,524 0.972,525 0.458,526 1.036,527 0.9,528 1.005,529 0.967,530 1.108,531 0.965,532 1.085,533 8,534 0.219,535 4,536 2.313,537 1.96,538 0.792,539 0.748,540 0.616,541 0.439,542 0.312,543 10307,544 42676,545 1.965,546 34.1,548 10,549 1,551 4,555 1.719,556 1.785,557 3.476,558 1.731,560 1,564 80.636,565 1.833,566 4.084,567 4.635,568 4.988,569 4.988,570 4.988,571 2.945,572 4.487,573 4.83,574 3.689,575 1497.71,576 8.409,577 20518.8,579 1,581 1,582 240.215,583 1.713,584 4.748,585 0.258,586 0.009,587 0.089,588 0.049,589 0.046,590 0.021,591 0.023,592 0.019,593 0.013,594 0.01,595 0.538,597 1,598 1.195,599 148.072,600 -0.103,601 -0.099,602 -0.011,603 0.013,604 -0.152,605 0.047,606 0.38,607 0.248,608 0.173,609 0.044,610 0.382,611 0.021,612 0.182,613 0.038,614 -0.05,615 -0.05,616 0.245,617 -0.119,618 -0.01,619 -0.154,620 -0.026,621 -0.191,622 0.044,623 -0.146,624 -0.137,625 -0.096,626 -0.168,627 -0.097,628 -0.116,629 -0.128,630 -0.025,631 0.115,632 0.01,633 0.164,634 -0.074,635 0.128,636 0.195,637 0.109,638 0.169,639 0.024,640 0.042,641 0.058,642 -0.116,643 -0.192,644 -0.061,645 -0.143,646 -0.137,647 -0.1,648 6.18,649 4.564,650 0.552,651 29.013,652 1.04,653 1.152,654 3.024,655 9.142,656 0.679,657 3.466,658 3.829,659 4.043,660 4.263,661 4.477,662 4.533,663 4.682,664 4.779,665 4.828,666 4.779,667 6.964,668 0.685,669 400.4,670 3.466,671 5.03,672 5.872,673 6.763,674 7.623,675 8.513,676 9.381,677 10.27,678 11.141,679 12.029,680 13.6,684 2,686 1,690 3,694 2,695 6,696 3,700 5,702 17,705 1,711 2,714 1,718 44,719 19,720 1,721 31,723 46,724 19,725 13,726 2,727 4,728 1,729 3,730 4,734 1,738 1,740 2,741 14,742 3,744 1,748 1,751 1,754 1,755 3,757 15,758 10,759 4,760 10,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,788 1,789 1,802 2,808 3,810 29,811 2,816 2,821 1,822 1,823 1,824 1,827 1,828 3,829 2.3,832 1,836 16.25,837 7.895,838 6.278,839 2.282,840 3.345,841 1.453,842 0.995,843 5.587,844 10.725,845 3.773,846 4.382,847 4.947,848 5.51,849 6.097,850 6.383,851 6.757,852 7.085,853 7.473,854 7.524,855 0.875,856 47,857 11.443,859 5.681,860 8.468,861 18.977,863 15.146,865 2.968,866 86.083,869 1,870 129.482,871 131.528,872 119.275,874 25.145,875 44.88,877 131.528,878 154.627,879 164.156,881 4.211,882 122.652,883 80.635,884 60.992,885 56.35,886 117.711,887 7.76,888 129.482,889 250.803,890 70.025,893 129.482,894 70.025,897 20.915,898 162.501,899 67.387,901 174.362,902 144.42,903 131.528,906 137.242,907 26.559,908 59.982,909 17.031,910 209.497,911 129.482,912 189.301,913 131.528,915 0.594,916 0.337,917 0.172,918 0.094,919 21,920 11,921 0.109,922 5,923 1,924 1.125,925 3.902,926 249.167,927 0.125,928 16,929 132.127,933 20.385,934 7.947,935 4.562,936 0.862,937 189.301,938 8.407,939 12.349,943 0.835,945 65.794,946 450.311,947 42.5,951 11.331,954 -1.904,956 45.778,957 50.71,958 0.336,959 0.748,960 0.849,961 0.914,962 0.914,963 0.914,964 5.039,965 1.572,966 5.916,967 5.756,968 4.511,969 5.069,970 3.288,971 6.772,972 4.391,973 6.292,974 1.012,975 7.519,976 4.146,977 4.369,978 5.017,979 3.911,980 7.93,981 4.099,982 7.629,983 1,984 9.23,985 2.565,986 6.205,987 7.31,988 5.536,989 10.938,990 5.947,991 8.996,992 0.981,993 11.003,994 2.275,995 6.815,996 8.015,997 6.781,998 12.861,999 6.411,1000 10.389,1001 0.74,1002 12.816,1003 2.169,1004 8.21,1005 9.846,1006 8.185,1007 15.473,1008 7.795,1009 11.802,1010 0.159,1011 14.658,1012 1.59,1013 9.139,1014 10.922,1015 9.529,1016 17.699,1017 8.597,1018 13.231,1019 -0.348,1020 16.52,1021 0.376,1022 10.383,1023 12.558,1024 10.898,1025 20.192,1026 9.8,1027 3.349,1028 -0.466,1029 18.399,1030 -0.73,1031 11.451,1032 13.831,1033 12.257,1034 22.545,1035 10.759,1036 3.085,1037 11.845,1038 20.292,1039 -1.053,1040 12.645,1041 15.379,1042 13.62,1043 25.002,1044 11.891,1045 2.862,1046 10.183,1047 22.195,1048 4.491,1049 13.774,1050 16.758,1051 14.981,1052 27.411,1053 12.922,1054 2.42,1055 9.16,1056 24.108,1057 3.894,1058 14.954,1059 18.269,1060 16.343,1061 29.861,1062 14.027,1063 2.267,1064 7.256,1065 26.028,1066 3.447,1067 16.112,1068 19.702,1069 17.705,1070 32.295,1071 15.091,1072 2.03,1073 6.762,1074 27.955,1075 3.223,1076 17.291,1077 21.199,1078 19.067,1079 34.748,1080 16.188,1081 1.946,1082 5.803,1083 29.888,1084 2.811,1085 18.464,1086 22.661,1087 20.429,1088 37.196,1089 17.268,1090 10228,1091 21025,1092 19.592,1093 29.87,1094 48.775,1095 48.04,1096 48.715,1097 47.156,1098 46.845,1099 62.111,1100 12.463,1101 139.769,1102 44.046,1103 5.382,1104 6.572,1105 6.945,1106 5.314,1107 5.349,1108 7.491,1109 5.553,1110 19.303,1111 5.05,1112 18.996,1113 1.573,1114 1.55,1115 1.571,1116 1.521,1117 1.511,1118 2.004,1119 0.402,1120 4.509,1121 1.421,1122 4.061,1123 4.104,1124 4.034,1125 3.937,1126 8.516,1127 3.954,1128 3.944,1129 3.972,1130 3.907,1131 3.854,1132 7.999,1133 3.862,1134 3.637,1135 3.684,1136 3.607,1137 3.462,1138 7.999,1139 3.478,1140 3.473,1141 3.522,1142 3.441,1143 3.287,1144 7.419,1145 3.3,1146 3.421,1147 3.468,1148 3.345,1149 3.209,1150 5.431,1151 3.26,1152 3.122,1153 3.23,1154 3.02,1155 2.916,1156 5.322,1157 2.93,1158 3.082,1159 3.162,1160 2.975,1161 2.796,1162 4.988,1163 2.835,1164 2.854,1165 2.925,1166 2.766,1167 2.735,1168 4.783,1169 2.715,1170 0.147,1171 0.147,1172 0.232,1173 0.137,1174 0.108,1175 4.542,1176 0.145,1177 4.572,1178 0.126,1179 7.182,1180 0.382,1181 4.241,1182 0.098,1183 3.349,1184 4.491,1185 3.904,1186 11.845,1187 3.05,1188 1.977,1189 1.943,1190 2.049,1191 2.125,1192 1.184,1193 2.101,1194 1.91,1195 1.885,1196 1.99,1197 2.018,1198 1.071,1199 2.011,1200 1.565,1201 1.518,1202 1.721,1203 1.767,1204 0.848,1205 1.747,1206 1.392,1207 1.339,1208 1.549,1209 1.606,1210 0.582,1211 1.584,1212 1.276,1213 1.262,1214 1.351,1215 1.55,1216 0.322,1217 1.487,1218 1.063,1219 0.994,1220 1.276,1221 1.383,1222 0.271,1223 1.364,1224 0.99,1225 0.887,1226 1.263,1227 1.282,1228 0.218,1229 1.298,1230 0.886,1231 0.821,1232 1.181,1233 1.062,1235 1.107,1236 4.143,1238 5.493,1240 7.031,1242 8.654,1244 10.32,1248 37.693,1250 11.408,1252 0.413,1257 1.713,1258 -4.93,1259 5.418,1261 2.489,1262 30.154,1263 80.636,1264 179.686,1265 203.95,1266 219.46,1267 219.46,1268 219.46,1269 70.21,1270 7.38,1271 111.02,1272 111.02,1273 18,1274 12.562,1275 4.322,1276 3.644,1277 52.535,1278 119,1279 114,1280 0.212,1281 187,1282 331.44,1283 448.04,1284 15397,1285 6.8,1286 21.181,1287 0.73,1288 0.515,1289 18.681,1290 14.941,1291 13.685,1292 0.441,1293 0.267,1294 8.091,1295 12.97,1296 7.981,1297 6.573,1298 12.474,1299 8.274,1300 13.271,1301 0.295,1302 0.135,1303 11.36,1304 6.071,1305 10.219,1306 0.182,1307 0.072,1308 9.088,1309 4.031,1310 8.154,1311 0.116,1312 0.039,1313 7.613,1314 2.715,1315 6.455,1316 0.074,1317 0.02,1318 6.051,1319 1.776,1320 0.334,1321 87.314,1322 0.226,1323 27.586,1324 0.575,1325 152,1326 675.274,1327 181.972,1328 578.532,1329 751.37,1330 532,1331 177,1332 527.594,1333 201.816,1334 516.959,1335 772.94,1336 483,1337 8.125}
{0 CHEMBL53902,1 1.648,2 8.476,3 2.928,4 8.576,5 89.383,6 8.265,7 0.545,8 3.715,9 3.869,10 3.347,11 3.194,12 4.951,13 3.186,14 4.156,15 4.357,16 3.689,17 3.542,18 5.339,19 3.505,20 4.32,21 4.52,22 3.829,23 3.671,24 5.478,25 3.637,26 4.374,27 4.558,28 3.803,29 3.709,30 5.588,31 3.656,32 4.498,33 4.727,34 3.71,35 3.712,36 5.641,37 3.638,38 4.537,39 4.811,40 3.61,41 3.65,42 5.568,43 3.52,44 4.408,45 4.699,46 3.54,47 3.423,48 5.49,49 3.278,50 4.035,51 4.316,52 3.102,53 3.066,54 5.123,55 2.915,56 0.124,57 0.591,58 6.943,59 2.632,60 13.777,61 3.696,62 0.234,63 0.824,64 13.038,65 4.665,66 24.672,67 6.595,68 0.277,69 0.931,70 17.122,71 4.698,72 25.814,73 6.951,74 0.288,75 0.981,76 18.593,77 5.385,78 31.678,79 7.729,80 0.342,81 1.032,82 19.067,83 5.266,84 42.184,85 8.206,86 0.373,87 0.914,88 23.089,89 6.633,90 43.262,91 10.073,92 0.497,93 0.678,94 26.708,95 5.771,96 53.037,97 8.921,98 0.339,99 0.466,100 19.021,101 4.097,102 34.061,103 5.994,104 32,105 30,106 0.3,107 0.697,108 0.829,109 0.872,110 0.872,111 0.872,112 3.104,113 0.915,114 -4.04,115 -3.99,116 -3.77,119 35.1,120 1,121 1,124 1,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 1,163 1,166 5,169 1,170 3,172 3,173 4,175 2,178 6,180 1,182 4,187 4,189 6,191 1,193 9,195 1,196 1,197 1,198 7,200 2,201 4,204 5,205 1,207 8,212 4,215 4,218 4,221 2,224 2,225 1,226 3,228 1,229 1,231 2,233 2,234 3,236 1,237 1,239 3,241 1,243 2,245 2,246 2,248 1,249 1,250 1,253 1,254 1,260 1,262 1,263 1,265 1,270 1,273 563,274 14.016,275 14.016,276 14.016,277 14.016,278 14.016,279 12.051,280 16.221,281 8.358,282 14.36,283 10.742,284 10.742,285 10.742,286 10.742,287 10.742,288 8.01,289 17.007,290 3.812,291 11.373,292 3.561,293 1.382,294 0.656,295 0.419,296 0.419,297 0.419,298 3.759,299 1,300 1,301 1,302 1,303 360,304 2.739,307 137.574,314 1.215,315 18.999,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 45.833,327 178,328 4.533,329 3.277,330 6.77,331 4.146,332 3.171,333 4.253,335 11.075,336 3.094,337 4.162,338 3.108,339 6.045,340 3.718,341 2.787,342 3.784,344 8.664,345 2.573,346 3.618,347 2.385,348 5.304,349 3.188,350 2.261,351 2.994,353 6.619,354 2.086,355 3.3,356 2.226,357 5.038,358 2.933,359 1.985,360 2.549,362 5.702,363 1.877,364 3.147,365 2.02,366 4.756,367 2.708,368 1.75,369 2.346,371 4.934,372 1.671,373 3.068,374 1.863,375 4.257,376 2.581,377 1.66,378 2.19,380 4.046,381 1.481,382 2.784,383 1.418,384 3.42,385 2.241,386 1.27,387 1.829,389 2.499,390 1.221,391 1.767,392 0.826,393 3.328,394 1.548,395 0.585,396 0.664,398 1.155,399 0.55,400 1.564,401 0.57,402 2.753,403 1.307,404 0.376,405 0.427,407 0.642,408 0.336,409 1.308,410 0.308,411 2.632,412 1.018,413 0.091,414 0.106,415 0.173,416 0.081,417 0.962,418 0.008,419 2.441,420 0.585,421 -0.288,422 -0.343,423 -0.616,424 -0.223,425 0.823,426 -0.305,427 2.249,428 0.437,429 -0.479,430 -0.588,431 -1.149,432 -0.437,433 0.637,434 -0.559,435 2.09,436 0.224,437 -0.736,438 -0.927,439 -1.698,440 -0.685,441 0.252,442 -0.675,443 1.695,444 0.016,445 -0.914,446 -1.066,448 -2.043,449 -0.813,450 0.195,451 -1.022,452 1.45,453 -0.244,454 -1.217,455 -1.615,457 -2.793,458 -1.062,459 10.014,460 0.477,461 0.524,462 0.025,463 27.75,464 1.321,465 14.5,466 0.69,467 13.25,468 0.631,469 15.609,470 0.743,471 22.986,472 0.621,473 19.808,474 0.943,475 5.629,476 0.268,477 4.433,478 0.211,479 0.251,481 0.35,485 0.874,486 1.182,487 0.655,488 0.873,489 1.104,490 0.854,491 0.591,492 0.93,493 0.59,494 0.8,495 0.51,496 0.779,497 1.141,498 1.175,499 0.898,500 0.883,501 0.974,502 0.843,503 1.036,504 1.364,505 1.157,506 1.31,507 0.885,508 1.204,509 1.122,510 1.262,511 0.891,512 1.097,513 1.276,514 1.159,515 0.819,516 1.001,517 0.801,518 0.978,519 0.986,520 1.034,521 0.871,522 0.83,523 1.14,524 1.032,525 0.852,526 0.966,527 1.226,528 0.786,529 1.529,530 1.103,531 1.106,532 1.068,533 4.5,534 0.029,535 2.444,536 2.063,537 1.418,538 0.847,539 0.586,540 0.286,541 0.172,542 0.066,543 3594,544 12231,545 1.941,546 43.2,547 3,548 6,551 5,552 2,555 1.638,556 1.775,557 3.056,558 2.892,559 1,560 1,562 1,564 60.993,565 1.648,566 3.828,567 4.554,568 4.79,569 4.79,570 4.79,571 2.475,572 4.071,573 4.36,574 3.156,575 662.731,576 7.503,577 6918.05,578 1,579 1,580 1,581 1,582 192.75,583 1.545,584 4.294,585 0.205,586 0.01,587 0.081,588 0.063,589 0.044,590 0.03,591 0.025,592 0.016,593 0.014,594 0.008,595 0.497,596 0.17,597 1,598 1.444,599 93.515,600 -0.048,601 0.121,602 -0.006,603 0.097,604 -0.225,605 0.06,606 0.222,607 0.213,608 0.173,609 0.197,610 0.241,611 0.193,612 -0.174,613 -0.047,614 0.018,615 0.105,616 -0.121,617 0.102,618 -0.083,619 -0.224,620 -0.197,621 -0.291,622 0.029,623 -0.249,624 -0.23,625 -0.181,626 -0.159,627 -0.186,628 -0.254,629 -0.239,630 0.036,631 -0.087,632 0.064,633 -0.018,634 -0.058,635 -0.038,636 0.232,637 -0.036,638 0.123,639 -0.02,640 0.205,641 0.054,642 0.006,643 0.022,644 -0.127,645 -0.084,646 0.014,647 -0.068,648 1.5,649 2,650 0.571,651 15.116,652 1.012,653 1.149,654 2.805,655 7.87,656 0.668,657 3.135,658 3.434,659 3.689,660 3.951,661 4.143,662 4.174,663 4.174,664 4.143,665 4.078,666 3.871,667 4.975,668 0.638,669 305.81,670 3.135,671 4.654,672 5.493,673 6.372,674 7.236,675 8.124,676 8.998,677 9.889,678 10.767,679 11.66,680 18.9,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 37,719 13,720 1,721 22,723 38,724 13,725 10,726 3,727 3,729 2,730 2,731 1,734 1,739 1,741 10,742 3,744 1,750 2,753 1,754 1,757 16,758 7,759 5,760 8,761 1,764 7,769 1,776 1,781 2,802 2,806 2,807 1,810 21,811 2,816 1,817 1,828 1,836 11.833,837 7.11,838 4.861,839 2.074,840 2.532,841 1.395,842 0.963,843 4.936,844 8.937,845 3.401,846 4.007,847 4.57,848 5.159,849 5.705,850 5.967,851 6.256,852 6.572,853 6.817,854 6.985,855 0.833,856 33,857 7.636,859 3.076,860 7.87,861 14.209,863 10.843,865 2.37,866 49.778,870 129.482,871 67.797,872 150.457,873 39.149,877 67.797,878 168.631,879 150.457,880 17.222,881 20.423,882 94.223,883 33.571,884 15.385,885 37.431,886 129.482,887 39.149,888 129.482,889 218.254,891 39.149,893 129.482,897 33.904,898 117.576,899 105.923,901 129.482,902 150.457,903 106.946,906 129.482,907 22.147,908 45.65,909 17.888,910 171.718,911 129.482,912 150.457,913 106.946,915 0.567,916 0.339,917 0.191,918 0.109,919 13,920 7,921 0.105,922 4,924 1,925 3.163,926 156.236,928 12,929 92.239,933 15.479,934 6.697,935 3.405,937 150.457,938 5.419,939 8.256,943 4.023,945 83.683,946 386.885,947 29,953 7.352,956 37.454,957 42.508,958 0.316,959 0.735,960 0.874,961 0.92,962 0.92,963 0.92,964 4.615,965 0.585,966 5.485,967 2.499,968 4.111,969 4.691,971 6.308,972 4.002,973 5.839,974 0.376,975 7.055,976 1.155,977 3.761,978 4.559,980 7.265,981 3.568,982 7.155,983 0.091,984 8.729,985 0.642,986 5.707,987 6.908,989 10.376,990 5.516,991 8.508,992 -0.288,993 10.461,994 0.173,995 6.155,996 7.56,998 12.164,999 5.899,1000 9.89,1001 -0.479,1002 12.233,1003 -0.616,1004 7.6,1005 9.408,1007 14.809,1008 7.344,1009 11.294,1010 -0.736,1011 14.031,1012 -1.149,1013 8.423,1014 10.441,1016 16.953,1017 8.123,1018 12.716,1019 -0.914,1020 15.85,1021 -1.698,1022 9.674,1023 12.072,1025 19.435,1026 9.365,1027 3.171,1028 -1.217,1029 17.685,1030 -2.043,1031 10.67,1032 13.299,1034 21.729,1035 10.332,1036 2.787,1037 11.075,1038 19.532,1039 -2.793,1040 11.846,1041 14.828,1043 24.154,1044 11.494,1045 2.261,1046 8.664,1047 21.39,1048 4.253,1049 12.921,1050 16.153,1052 26.51,1053 12.546,1054 1.985,1055 6.619,1056 23.256,1057 3.784,1058 14.07,1059 17.633,1061 28.917,1062 13.679,1063 1.75,1064 5.702,1065 25.129,1066 2.994,1067 15.181,1068 19.01,1070 31.299,1071 14.77,1072 1.66,1073 4.934,1074 27.008,1075 2.549,1076 16.323,1077 20.466,1079 33.701,1080 15.895,1081 1.27,1082 4.046,1083 28.892,1084 2.346,1085 17.45,1086 21.871,1088 36.095,1089 17.003,1090 3775,1091 7072,1092 13.929,1093 24.705,1094 32.159,1095 32.515,1096 34.251,1097 32.05,1098 31.874,1099 42.286,1101 91.018,1102 29.941,1103 5.242,1104 5.277,1105 6.631,1106 5.216,1107 5.171,1108 7.253,1110 17.964,1111 5.094,1112 12.527,1113 1.462,1114 1.478,1115 1.557,1116 1.457,1117 1.449,1118 1.922,1120 4.137,1121 1.361,1122 4.012,1123 4.046,1124 4.052,1125 3.934,1126 5.286,1127 3.938,1128 3.767,1129 3.818,1130 3.823,1131 3.629,1132 5.024,1133 3.643,1134 3.428,1135 3.538,1136 3.352,1137 3.195,1138 4.976,1139 3.186,1140 3.391,1141 3.484,1142 3.277,1143 3.089,1144 4.832,1145 3.123,1146 3.11,1147 3.218,1148 3.204,1149 2.891,1150 4.466,1151 2.903,1152 2.982,1153 3.086,1154 2.914,1155 2.781,1156 4.238,1157 2.775,1158 2.875,1159 2.958,1160 2.808,1161 2.62,1162 3.965,1163 2.639,1164 2.668,1165 2.769,1166 2.574,1167 2.421,1168 3.867,1169 2.415,1170 0.206,1171 0.149,1172 0.308,1173 0.188,1174 0.144,1175 4.533,1176 0.193,1177 3.277,1179 6.77,1180 0.503,1181 4.146,1182 0.141,1183 3.171,1184 4.253,1186 11.075,1187 3.094,1188 1.958,1189 1.935,1190 2.026,1191 2.065,1192 1.193,1193 2.054,1194 1.708,1195 1.665,1196 1.855,1197 1.879,1198 1.011,1199 1.868,1200 1.383,1201 1.298,1202 1.638,1203 1.662,1204 0.61,1205 1.663,1206 1.316,1207 1.205,1208 1.61,1209 1.631,1210 0.594,1211 1.64,1212 1.016,1213 0.939,1214 1.269,1215 1.374,1216 0.227,1217 1.357,1218 0.948,1219 0.868,1220 1.205,1221 1.242,1222 0.133,1223 1.245,1224 0.811,1225 0.713,1226 1.121,1227 1.098,1228 0.052,1229 1.118,1230 0.639,1231 0.536,1232 0.974,1233 0.916,1235 0.949,1236 3.807,1238 5.106,1240 6.616,1242 8.234,1244 9.908,1246 3.539,1247 6.111,1250 11.63,1252 0.687,1253 2.761,1262 23.611,1263 60.993,1264 141.63,1265 168.485,1266 177.24,1267 177.24,1268 177.24,1269 34.116,1270 6.405,1271 114.57,1272 114.57,1273 12,1274 12.19,1275 3.807,1276 3,1277 39.021,1278 61,1279 74,1280 0.322,1281 156.085,1282 260.67,1283 372.608,1284 4044,1285 2.7,1286 15.405,1287 0.734,1288 0.596,1289 15.905,1290 12.517,1291 10.062,1292 0.457,1293 0.305,1294 6.26,1295 9.335,1296 6.024,1297 5.077,1298 10.351,1299 6.708,1300 8.752,1301 0.292,1302 0.155,1303 9.123,1304 4.656,1305 7.081,1306 0.182,1307 0.083,1308 7.461,1309 3.219,1310 5.985,1311 0.117,1312 0.042,1313 6.22,1314 2.147,1315 4.688,1316 0.076,1317 0.023,1318 4.942,1319 1.439,1320 0.486,1321 66.499,1322 0.268,1323 20.439,1324 0.942,1325 104,1326 325.741,1327 130.121,1328 353.901,1329 475.45,1330 328,1331 121,1332 337.227,1333 143.027,1334 351.564,1335 505.62,1336 329,1337 5.638}
{0 CHEMBL53903,1 1.546,2 10.889,3 2.771,4 7.676,5 107.575,6 7.669,7 0.733,8 3.967,9 4.098,10 3.558,11 3.498,12 5.145,13 3.495,14 4.446,15 4.617,16 3.922,17 3.882,18 5.584,19 3.86,20 4.626,21 4.795,22 4.045,23 4.044,24 5.71,25 4.013,26 4.772,27 4.964,28 4.01,29 4.074,30 5.898,31 4.006,32 4.88,33 5.14,34 3.758,35 4.022,36 5.844,37 3.904,38 4.724,39 4.997,40 3.57,41 3.875,42 5.612,43 3.731,44 4.543,45 4.801,46 3.521,47 3.753,48 5.457,49 3.644,50 4.449,51 4.695,52 3.551,53 3.701,54 5.414,55 3.605,56 0.056,57 0.747,58 9.23,59 3.702,60 11.779,61 4.875,62 0.254,63 1.142,64 16.687,65 6.544,66 25.973,67 8.638,68 0.125,69 1.37,70 19.467,71 7.489,72 15.698,73 10.203,74 0.282,75 1.525,76 23.534,77 8.951,78 36.809,79 12.243,80 0.446,81 1.541,82 29.931,83 9.163,84 51.903,85 13.482,86 0.327,87 1.273,88 26.223,89 9.276,90 39.509,91 13.477,92 0.245,93 1.089,94 21.386,95 7.299,96 30.5,97 10.566,98 0.152,99 1.014,100 18.828,101 7.03,102 23.978,103 10.129,104 18,105 43,106 0.261,107 0.634,108 0.797,109 0.859,110 0.874,111 0.881,112 3.34,113 0.855,114 -4.44,115 -4.37,116 -4.12,119 42.6,120 1,124 1,125 1,139 6,140 5,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 10,169 2,170 6,172 3,173 3,175 4,178 11,180 1,182 6,187 5,189 7,191 1,192 1,193 7,195 3,196 4,197 1,198 7,200 2,201 6,204 3,205 1,207 1,210 1,212 2,215 7,218 1,221 2,224 2,225 1,226 2,228 1,229 9,231 2,234 4,241 9,246 7,250 1,251 2,253 1,254 5,256 2,259 1,260 9,265 3,268 2,270 3,273 993,274 18.37,275 18.37,276 18.37,277 18.37,278 18.37,279 15.681,280 21.208,281 10.601,282 18.83,283 14.715,284 14.715,285 14.715,286 14.715,287 14.715,288 10.635,289 29.964,290 4.89,291 15.372,292 4.008,293 1.793,294 0.83,295 0.458,296 0.373,297 0.33,298 4.038,300 1,301 1,302 1,303 642,304 2.828,307 259.99,311 221.654,314 1.465,315 20.788,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 58,327 294,328 4.655,329 3.318,330 6.835,331 4.187,332 3.214,333 4.616,334 0.86,335 11.231,336 3.132,337 4.586,338 3.236,339 6.697,340 4.117,341 3.134,342 4.538,343 0.657,344 10.848,345 3.081,346 3.911,347 2.768,348 5.809,349 3.509,350 2.553,351 3.412,353 7.89,354 2.441,355 3.684,356 2.589,357 5.684,358 3.28,359 2.331,360 3.106,362 7.477,363 2.209,364 3.454,365 2.217,366 5.097,367 2.989,368 2.052,369 2.861,371 5.916,372 1.918,373 3.395,374 2.07,375 5.01,376 2.914,377 1.985,378 2.744,380 5.795,381 1.867,382 3.343,383 2.019,384 4.781,385 2.878,386 1.91,387 2.691,389 5.103,390 1.816,391 2.785,392 1.638,393 4.249,394 2.328,395 1.372,396 1.924,398 3.559,399 1.311,400 2.709,401 1.355,402 3.809,403 2.285,404 1.291,405 1.78,407 2.862,408 1.28,409 2.523,410 1.26,411 3.597,412 2.079,413 1.109,414 1.531,415 2.763,416 1.072,417 2.1,418 1.133,419 3.351,420 1.804,421 0.88,422 1.037,423 1.947,424 0.808,425 1.725,426 0.799,427 3,428 1.406,429 0.496,430 0.587,431 0.949,432 0.448,433 1.359,434 0.361,435 2.824,436 0.988,437 0.065,438 0.08,439 0.136,440 0.059,441 1.191,442 0.112,443 2.734,444 0.837,445 -0.114,446 -0.14,448 -0.293,449 -0.108,450 1.024,451 -0.079,452 2.568,453 0.607,454 -0.329,455 -0.421,457 -0.719,458 -0.305,459 12.733,460 0.472,461 0.678,462 0.025,463 40,464 1.481,465 22,466 0.815,467 18,468 0.667,469 19.239,470 0.713,471 28.067,472 0.597,473 29.438,474 1.09,475 8.024,476 0.297,477 5.056,478 0.187,479 0.141,481 0.393,485 1.064,486 1.198,487 0.798,488 0.948,489 1.227,490 0.844,491 0.931,492 0.823,493 0.739,494 0.798,495 0.622,496 0.763,497 1.002,498 1.267,499 0.887,500 1.081,501 0.827,502 0.984,503 0.876,504 1.231,505 1.105,506 1.316,507 0.692,508 1.266,509 1.191,510 0.926,511 1.242,512 0.994,513 1.282,514 1.092,515 0.716,516 0.82,517 0.992,518 0.994,519 0.825,520 1.031,521 0.959,522 0.844,523 0.975,524 0.879,525 0.966,526 0.919,527 0.609,528 0.992,529 0.805,530 1.01,531 0.666,532 0.949,533 5,534 0.173,535 3.556,536 2.5,537 1.916,538 0.826,539 0.444,540 0.377,541 0.316,542 0.234,543 8882,544 23776,545 2.097,546 42.6,547 3,548 11,550 1,551 5,555 1.7,556 1.952,557 3.388,558 2.511,559 1,560 1,564 72.679,565 1.546,566 3.761,567 4.724,568 5.097,569 5.182,570 5.225,571 2.82,572 4.431,573 4.731,574 3.527,575 1238,576 8.204,577 15702.2,579 1,581 1,582 261.066,583 1.447,584 4.681,585 0.167,586 0.008,587 0.083,588 0.052,589 0.045,590 0.026,591 0.016,592 0.014,593 0.011,594 0.009,595 0.431,597 1,598 0.76,599 133.323,600 -0.147,601 -0.022,602 0.025,603 0.05,604 -0.264,605 0.068,606 0.119,607 0.261,608 0.158,609 0.204,610 0.197,611 0.181,612 -0.1,613 -0.178,614 -0.01,615 -0.08,616 -0.054,617 -0.039,618 0.089,619 -0.179,620 -0.193,621 -0.336,622 0.18,623 -0.321,624 -0.198,625 0.054,626 -0.24,627 -0.05,628 -0.273,629 -0.128,630 0.064,631 0.076,632 0.015,633 0.017,634 0.011,635 0.007,636 -0.11,637 0.088,638 0.018,639 0.122,640 -0.114,641 0.097,642 0.107,643 -0.061,644 0.163,645 0.017,646 0.138,647 0.086,648 1.539,649 2.035,650 0.741,651 21.44,652 1.003,653 1.13,654 3.212,655 10.32,656 0.677,657 3.434,658 3.784,659 4.111,660 4.407,661 4.635,662 4.691,663 4.745,664 4.844,665 4.97,666 4.997,667 6.307,668 0.65,669 360.46,670 3.434,671 4.99,672 5.866,673 6.765,674 7.654,675 8.556,676 9.448,677 10.351,678 11.245,679 12.148,680 12.8,684 2,685 1,690 3,694 4,695 7,696 3,700 6,702 22,711 2,712 1,716 1,718 47,719 22,720 2,721 30,723 50,724 20,725 17,726 4,727 6,729 4,730 6,734 1,741 17,742 3,754 1,757 20,758 7,759 5,760 7,764 6,769 0.5,770 1,775 1,776 1,781 4,785 2,802 2,806 2,810 27,811 2,816 1,817 1,818 1,829 2.1,834 1,836 13.833,837 9.017,838 5.944,839 2.553,840 4.527,841 1.585,842 1.033,843 4.52,844 12.267,845 3.738,846 4.443,847 5.136,848 5.793,849 6.391,850 6.702,851 7.051,852 7.424,853 7.831,854 7.92,855 1,856 48,857 9.891,859 4.181,860 7.691,861 18.825,863 15.336,865 2.191,866 59.167,869 1,870 176.567,871 115.751,872 134.162,874 11,877 115.751,878 187.566,879 134.162,880 19.708,881 2.106,882 122.652,883 80.138,884 43.853,885 4.227,886 164.795,888 176.567,889 249.913,890 11,893 178.282,894 11,897 21.877,898 157.953,899 68.367,901 176.567,902 145.162,903 115.751,906 176.567,907 30.138,908 85.613,909 18.011,910 127.151,911 176.567,912 145.162,913 115.751,915 0.585,916 0.362,917 0.207,918 0.11,919 22,920 10,921 0.08,922 4,923 2,924 1.2,925 3.817,926 238.632,927 0.2,928 20,929 128.382,933 17.465,934 6.988,935 3.139,936 3.407,937 145.162,938 13.903,939 12.605,943 4.349,945 83.805,946 437.48,947 41,956 47.123,957 53.106,958 0.278,959 0.677,960 0.851,961 0.918,962 0.933,963 0.941,964 4.973,965 1.372,966 5.866,967 5.103,968 4.466,969 5.13,970 1.207,971 6.725,972 4.388,973 6.221,974 1.291,975 7.456,976 3.559,977 4.111,978 5.094,980 7.727,981 4.013,982 7.561,983 1.109,984 9.148,985 2.862,986 6.103,987 7.494,988 0.903,989 10.861,990 5.969,991 8.942,992 0.88,993 10.9,994 2.763,995 6.567,996 8.29,998 12.691,999 6.422,1000 10.355,1001 0.496,1002 12.69,1003 1.947,1004 8.037,1005 10.169,1006 0.678,1007 15.353,1008 7.865,1009 11.792,1010 0.065,1011 14.507,1012 0.949,1013 8.881,1014 11.359,1016 17.521,1017 8.699,1018 13.248,1019 -0.114,1020 16.344,1021 0.136,1022 10.151,1023 13.028,1024 0.512,1025 20.022,1026 9.946,1027 3.214,1028 -0.329,1029 18.195,1030 -0.293,1031 11.17,1032 14.402,1034 22.328,1035 10.951,1036 3.134,1037 11.231,1038 20.058,1039 -0.719,1040 12.363,1041 15.984,1042 0.387,1043 24.769,1044 12.124,1045 2.553,1046 10.848,1047 21.93,1048 4.616,1049 13.459,1050 17.441,1052 27.133,1053 13.203,1054 2.331,1055 7.89,1056 23.809,1057 4.538,1058 14.625,1059 18.987,1060 0.293,1061 29.552,1062 14.349,1063 2.052,1064 7.477,1065 25.695,1066 3.412,1067 15.754,1068 20.48,1070 31.94,1071 15.458,1072 1.985,1073 5.916,1074 27.585,1075 3.106,1076 16.912,1077 22.012,1078 0.221,1079 34.351,1080 16.596,1081 1.91,1082 5.795,1083 29.479,1084 2.861,1085 18.056,1086 23.522,1088 36.749,1089 17.719,1090 8432,1091 13927,1092 19.997,1093 31.819,1094 44.938,1095 45.469,1096 47.036,1097 44.742,1098 44.783,1099 61.815,1100 3.035,1101 132.953,1102 42.884,1103 5.491,1104 5.318,1105 6.514,1106 5.262,1107 5.214,1108 7.616,1109 1.72,1110 18.478,1111 5.132,1112 13.402,1113 1.498,1114 1.516,1115 1.568,1116 1.491,1117 1.493,1118 2.06,1119 0.101,1120 4.432,1121 1.429,1122 4.113,1123 4.141,1124 4.078,1125 4.049,1126 5.321,1127 4.051,1128 4.038,1129 4.068,1130 4.013,1131 3.939,1132 4.982,1133 3.955,1134 3.574,1135 3.641,1136 3.5,1137 3.418,1138 4.958,1139 3.425,1140 3.478,1141 3.521,1142 3.384,1143 3.342,1144 4.805,1145 3.353,1146 3.308,1147 3.374,1148 3.191,1149 3.076,1150 4.546,1151 3.093,1152 3.173,1153 3.267,1154 3.05,1155 2.951,1156 4.341,1157 2.954,1158 3.084,1159 3.182,1160 2.905,1161 2.828,1162 4.169,1163 2.829,1164 3.023,1165 3.152,1166 2.805,1167 2.753,1168 4.025,1169 2.755,1170 0.155,1171 0.111,1172 0.228,1173 0.14,1174 0.107,1175 4.655,1176 0.154,1177 3.318,1178 0.029,1179 6.835,1180 0.374,1181 4.187,1182 0.104,1183 3.214,1184 4.616,1185 0.86,1186 11.231,1187 3.132,1188 2.07,1189 2.053,1190 2.143,1191 2.151,1192 1.3,1193 2.146,1194 1.988,1195 1.958,1196 2.049,1197 2.11,1198 1.211,1199 2.095,1200 1.525,1201 1.475,1202 1.689,1203 1.732,1204 0.775,1205 1.721,1206 1.45,1207 1.401,1208 1.627,1209 1.628,1210 0.673,1211 1.637,1212 1.245,1213 1.179,1214 1.566,1215 1.532,1216 0.567,1217 1.543,1218 1.153,1219 1.065,1220 1.505,1221 1.417,1222 0.558,1223 1.445,1224 1.034,1225 0.948,1226 1.282,1227 1.347,1228 0.312,1229 1.342,1230 0.946,1231 0.843,1232 1.258,1233 1.316,1234 0.164,1235 1.319,1236 4.111,1238 5.451,1240 7.008,1242 8.669,1244 10.383,1246 3.668,1250 11.694,1252 0.592,1253 3.49,1254 5.46,1262 30.531,1263 72.679,1264 176.785,1265 222.046,1266 239.556,1267 243.556,1268 245.556,1269 35.692,1270 7.74,1271 111.97,1272 111.97,1273 24,1274 12.669,1275 4.524,1276 3.585,1277 40.295,1278 105,1279 93,1280 0.192,1281 188.532,1282 309.91,1283 451.777,1284 25508,1286 18.966,1287 0.702,1288 0.561,1289 18.966,1290 15.153,1291 13.08,1292 0.436,1293 0.285,1294 8.423,1295 12.595,1296 8.162,1297 6.814,1298 13.08,1299 8.55,1300 11.783,1301 0.274,1302 0.146,1303 11.783,1304 6.289,1305 10.366,1306 0.173,1307 0.078,1308 10.366,1309 4.708,1310 9.206,1311 0.114,1312 0.041,1313 9.206,1314 3.305,1315 7.208,1316 0.071,1317 0.021,1318 7.208,1319 2.167,1320 0.301,1321 81.896,1322 0.224,1323 25.74,1324 0.527,1325 146,1326 401.628,1327 158.759,1328 397.649,1329 560.02,1330 374,1331 176,1332 429.024,1333 188.649,1334 440.031,1335 645.72,1336 413,1337 7.268}
{0 CHEMBL53974,1 1.588,2 9.435,3 2.391,4 5.716,5 91.064,6 7.571,7 0.68,8 3.828,9 3.966,10 3.403,11 3.298,12 5.015,13 3.305,14 4.303,15 4.492,16 3.746,17 3.643,18 5.449,19 3.637,20 4.46,21 4.647,22 3.832,23 3.785,24 5.596,25 3.759,26 4.569,27 4.78,28 3.751,29 3.814,30 5.64,31 3.748,32 4.651,33 4.889,34 3.564,35 3.801,36 5.652,37 3.694,38 4.606,39 4.892,40 3.377,41 3.693,42 5.496,43 3.536,44 4.414,45 4.715,46 3.33,47 3.488,48 5.267,49 3.375,50 4.112,51 4.333,52 3.231,53 3.326,54 5.22,55 3.266,56 0.059,57 0.658,58 8.337,59 3.027,60 10.811,61 4.245,62 0.264,63 0.972,64 15.243,65 4.989,66 24.205,67 7.024,68 0.315,69 1.136,70 17.475,71 5.71,72 25.464,73 8.188,74 0.233,75 1.172,76 20.322,77 6.948,78 28.61,79 10.079,80 0.387,81 1.173,82 23.484,83 7.165,84 42.413,85 10.539,86 0.37,87 1.048,88 23.719,89 7.735,90 39.35,91 11.785,92 0.225,93 0.846,94 20.308,95 6.329,96 26.123,97 9.86,98 0.222,99 0.729,100 13.072,101 3.705,102 25.497,103 5.527,104 18,105 35,106 0.279,107 0.634,108 0.783,109 0.867,110 0.876,111 0.876,112 3.188,113 0.853,114 -3.35,115 -3.33,116 -3.19,119 39,124 2,125 1,139 6,141 2,143 3,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 4,172 3,173 3,178 2,181 4,182 7,184 1,185 1,189 1,193 4,195 1,196 1,197 1,198 2,200 2,204 2,205 1,207 2,209 1,210 1,212 2,215 1,218 2,220 3,221 3,223 1,224 1,229 3,234 2,241 3,246 2,248 1,249 1,251 1,254 1,256 1,259 2,260 4,262 1,263 1,265 2,270 2,273 667,274 15.455,275 15.455,276 15.455,277 15.455,278 15.455,279 13.392,280 19.096,281 9.024,282 15.957,283 12.271,284 12.271,285 12.271,286 12.271,287 12.271,288 9.142,289 25.612,290 4.19,291 13.012,292 3.77,293 1.751,294 0.903,295 0.427,296 0.378,297 0.378,298 3.868,300 1,301 1,302 1,303 461,304 2.915,307 191.285,311 98.652,314 1.459,315 18.142,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50,327 217,328 4.542,329 3.281,330 6.506,331 4.04,332 3.088,333 4.491,334 0.916,335 10.19,336 2.94,337 4.282,338 3.112,339 6.447,340 3.925,341 2.978,342 3.859,343 0.86,344 9.92,345 2.816,346 3.778,347 2.704,348 5.402,349 3.374,350 2.426,351 3.237,352 0.172,353 7.091,354 2.301,355 3.434,356 2.319,357 5.065,358 3.008,359 2.09,360 2.811,362 5.888,363 1.915,364 3.403,365 2.142,366 5.021,367 2.938,368 1.997,369 2.72,371 5.793,372 1.876,373 3.128,374 2.014,375 4.873,376 2.771,377 1.834,378 2.293,380 5.248,381 1.714,382 2.917,383 1.643,384 3.872,385 2.46,386 1.491,387 2.084,389 3.207,390 1.437,391 2.458,392 1.134,393 3.708,394 2.013,395 1.038,396 1.441,398 2.567,399 1.01,400 2.38,401 1.057,402 3.575,403 1.945,404 1,405 1.345,407 2.562,408 0.942,409 1.645,410 0.938,411 2.904,412 1.351,413 0.475,414 0.538,415 0.756,416 0.412,417 1.476,418 0.395,419 2.707,420 1.096,421 0.163,422 0.203,423 0.386,424 0.151,425 0.987,426 -0.147,427 2.608,428 0.549,429 -0.38,430 -0.469,431 -0.975,432 -0.351,433 0.818,434 -0.251,435 2.486,436 0.438,437 -0.482,438 -0.599,439 -1.161,440 -0.441,441 0.663,442 -0.31,443 2.21,444 0.305,445 -0.624,446 -0.735,448 -1.34,449 -0.572,450 0.562,451 -0.719,452 2,453 0.132,454 -0.815,455 -1.09,457 -2.076,458 -0.77,459 10.733,460 0.467,461 0.592,462 0.026,463 33.75,464 1.467,465 18,466 0.783,467 15.75,468 0.685,469 14.929,470 0.649,471 24.667,472 0.602,473 24.028,474 1.045,475 6.9,476 0.3,477 4.18,478 0.182,479 0.168,481 0.363,485 1.065,486 1.428,487 0.807,488 1.091,489 1.245,490 0.926,491 1.107,492 0.973,493 0.765,494 0.81,495 0.634,496 0.752,497 0.986,498 1.067,499 0.981,500 1.03,501 0.865,502 1.006,503 0.965,504 1.258,505 1.029,506 1.249,507 0.716,508 1.172,509 1.351,510 1.029,511 1.302,512 1.119,513 1.253,514 1.199,515 0.57,516 0.794,517 0.986,518 1.03,519 0.813,520 1.069,521 0.657,522 0.846,523 0.614,524 0.77,525 0.49,526 0.7,527 1.398,528 1.002,529 1.28,530 1.045,531 1.604,532 1.115,533 5,534 0.099,535 2.667,536 1.938,537 1.6,538 0.618,539 0.385,540 0.28,541 0.275,542 0.131,543 5473,544 15259,545 2.041,546 43.9,548 14,551 4,555 1.657,556 1.89,557 3.224,558 1.865,559 1,560 1,562 1,564 65.091,565 1.588,566 3.607,567 4.455,568 4.93,569 4.979,570 4.979,571 2.703,572 4.437,573 4.499,574 3.361,575 850.443,576 7.74,577 9613.3,578 1,579 1,581 1,582 219.66,583 1.478,584 4.443,585 0.2,586 0.009,587 0.076,588 0.052,589 0.048,590 0.024,591 0.018,592 0.013,593 0.014,594 0.008,595 0.463,596 0.17,597 1,598 0.832,599 107.295,600 -0.141,601 -0.199,602 0.033,603 -0.05,604 -0.275,605 0.016,606 0.027,607 0.136,608 0.164,609 0.183,610 0.197,611 0.187,612 0.046,613 0.074,614 -0.074,615 -0.051,616 -0.003,617 -0.079,618 -0.032,619 -0.227,620 -0.101,621 -0.235,622 0.114,623 -0.192,624 -0.273,625 -0.052,626 -0.33,627 -0.145,628 -0.272,629 -0.236,630 0.158,631 0.09,632 0.006,633 -0.032,634 -0.002,635 -0.038,636 0.121,637 -0.032,638 0.415,639 0.241,640 0.259,641 0.359,642 -0.296,643 0.072,644 -0.33,645 -0.11,646 -0.422,647 -0.2,648 1.518,649 1.891,650 0.696,651 17.217,652 1.006,653 1.139,654 2.12,655 4.496,656 0.66,657 3.258,658 3.584,659 3.85,660 4.111,661 4.304,662 4.277,663 4.357,664 4.407,665 4.554,666 4.477,667 5.657,668 0.634,669 310.4,670 3.258,671 4.796,672 5.645,673 6.526,674 7.391,675 8.274,676 9.143,677 10.026,678 10.898,679 11.78,680 14.6,684 2,686 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,714 1,716 1,718 41,719 17,720 1,721 25,723 43,724 16,725 13,726 2,727 4,729 3,730 4,741 13,742 3,753 1,754 1,757 18,758 7,759 4,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 2,810 23,811 2,816 1,818 1,821 1,829 2.4,834 1,836 12.167,837 7.883,838 5.111,839 2.115,840 3.346,841 1.48,842 0.995,843 4.279,844 10.315,845 3.541,846 4.19,847 4.806,848 5.411,849 5.981,850 6.194,851 6.536,852 6.874,853 7.293,854 7.313,855 1,856 37,857 8.406,859 3.469,860 7.746,861 15.869,863 12.498,865 2.246,866 51.667,869 1,870 164.795,871 97.515,872 119.275,874 11,877 97.515,878 175.795,879 119.275,880 19.279,881 2.106,882 122.652,883 50.357,884 29.169,885 4.227,886 164.795,888 164.795,889 216.79,890 11,893 164.795,894 11,897 11.05,898 155.384,899 50.357,901 164.795,902 130.275,903 97.515,906 164.795,907 21.378,908 79.261,910 127.151,911 164.795,912 130.275,913 97.515,915 0.581,916 0.348,917 0.195,918 0.102,919 17,920 8,921 0.093,922 4,923 1,924 1.125,925 3.466,926 182.505,927 0.125,928 16,929 104.042,933 15.466,934 6.363,935 3.183,936 1.198,937 130.275,938 11.582,939 12.638,943 3.084,945 65.794,946 392.585,947 33.5,956 41.24,957 46.69,958 0.296,959 0.673,960 0.831,961 0.92,962 0.929,963 0.929,964 4.764,965 1.038,966 5.638,967 3.207,968 4.263,969 4.875,970 1.382,971 6.454,972 4.151,973 5.99,974 1,975 7.203,976 2.567,977 3.892,978 4.745,979 0.325,980 7.357,981 3.714,982 7.307,983 0.475,984 8.865,985 2.562,986 5.861,987 7.148,988 1.115,989 10.453,990 5.644,991 8.661,992 0.163,993 10.584,994 0.756,995 6.275,996 7.82,997 0.393,998 12.162,999 5.989,1000 10.045,1001 -0.38,1002 12.34,1003 0.386,1004 7.737,1005 9.715,1006 0.921,1007 14.777,1008 7.419,1009 11.45,1010 -0.482,1011 14.12,1012 -0.975,1013 8.523,1014 10.788,1015 0.384,1016 16.829,1017 8.139,1018 12.874,1019 -0.624,1020 15.92,1021 -1.161,1022 9.777,1023 12.459,1024 0.764,1025 19.264,1026 9.358,1027 3.088,1028 -0.815,1029 17.733,1030 -1.34,1031 10.74,1032 13.74,1033 0.351,1034 21.464,1035 10.259,1036 2.978,1037 10.19,1038 19.557,1039 -2.076,1040 11.907,1041 15.308,1042 0.634,1043 23.826,1044 11.387,1045 2.426,1046 9.92,1047 21.39,1048 4.491,1049 12.952,1050 16.695,1051 0.312,1052 26.089,1053 12.374,1054 2.09,1055 7.091,1056 23.23,1057 3.859,1058 14.086,1059 18.218,1060 0.525,1061 28.421,1062 13.464,1063 1.997,1064 5.888,1065 25.076,1066 3.237,1067 15.168,1068 19.659,1069 0.273,1070 30.711,1071 14.491,1072 1.834,1073 5.793,1074 26.926,1075 2.811,1076 16.288,1077 21.163,1078 0.433,1079 33.031,1080 15.564,1081 1.491,1082 5.248,1083 28.78,1084 2.72,1085 17.387,1086 22.63,1087 0.236,1088 35.333,1089 16.61,1090 5364,1091 9082,1092 16.414,1093 27.057,1094 37.405,1095 37.607,1096 38.745,1097 37.162,1098 37.161,1099 50.046,1100 3.898,1101 107.214,1102 35.027,1103 5.377,1104 5.281,1105 6.198,1106 5.113,1107 5.088,1108 7.491,1109 1.776,1110 17.084,1111 4.94,1112 11.92,1113 1.496,1114 1.504,1115 1.55,1116 1.486,1117 1.486,1118 2.002,1119 0.156,1120 4.289,1121 1.401,1122 4.057,1123 4.101,1124 4.031,1125 3.928,1126 5.323,1127 3.948,1128 3.912,1129 3.942,1130 3.86,1131 3.819,1132 4.988,1133 3.825,1134 3.547,1135 3.616,1136 3.469,1137 3.36,1138 4.872,1139 3.379,1140 3.312,1141 3.4,1142 3.178,1143 3.098,1144 4.768,1145 3.107,1146 3.249,1147 3.315,1148 3.062,1149 2.966,1150 4.395,1151 2.976,1152 3.115,1153 3.229,1154 3.006,1155 2.823,1156 4.246,1157 2.858,1158 2.916,1159 3.018,1160 2.736,1161 2.706,1162 4.046,1163 2.703,1164 2.797,1165 2.871,1166 2.605,1167 2.663,1168 3.903,1169 2.638,1170 0.182,1171 0.131,1172 0.26,1173 0.162,1174 0.124,1175 4.542,1176 0.18,1177 3.281,1178 0.037,1179 6.506,1180 0.408,1181 4.04,1182 0.118,1183 3.088,1184 4.491,1185 0.916,1186 10.19,1187 2.94,1188 1.974,1189 1.938,1190 2.043,1191 2.124,1192 1.165,1193 2.1,1194 1.881,1195 1.855,1196 1.979,1197 2,1198 1.052,1199 1.996,1200 1.489,1201 1.424,1202 1.693,1203 1.714,1204 0.805,1205 1.711,1206 1.271,1207 1.188,1208 1.573,1209 1.531,1210 0.574,1211 1.539,1212 1.197,1213 1.123,1214 1.516,1215 1.509,1216 0.544,1217 1.529,1218 1.008,1219 0.912,1220 1.292,1221 1.383,1222 0.312,1223 1.364,1224 0.92,1225 0.819,1226 1.268,1227 1.189,1228 0.18,1229 1.231,1230 0.829,1231 0.76,1232 1.123,1233 1.01,1234 0.066,1235 1.053,1236 3.932,1238 5.252,1240 6.779,1242 8.402,1244 10.073,1246 3.635,1250 11.486,1252 0.597,1254 5.391,1257 2.057,1262 26.004,1263 65.091,1264 147.885,1265 182.64,1266 202.15,1267 204.15,1268 204.15,1269 29.872,1270 6.969,1271 103.18,1272 103.18,1273 18,1274 12.316,1275 4.17,1276 3.248,1277 36.887,1278 79,1279 70,1280 0.233,1281 163.411,1282 269.25,1283 390.482,1284 9316,1286 16.397,1287 0.713,1288 0.566,1289 16.397,1290 13.023,1291 11.08,1292 0.443,1293 0.284,1294 6.971,1295 10.562,1296 6.745,1297 5.661,1298 11.08,1299 7.11,1300 9.986,1301 0.285,1302 0.148,1303 9.986,1304 5.165,1305 8.295,1306 0.18,1307 0.077,1308 8.295,1309 3.54,1310 7.178,1311 0.12,1312 0.041,1313 7.178,1314 2.457,1315 5.601,1316 0.077,1317 0.022,1318 5.601,1319 1.586,1320 0.363,1321 70.055,1322 0.247,1323 22.445,1324 0.648,1325 120,1326 354.94,1327 133.397,1328 347.767,1329 483.07,1330 326,1331 141,1332 366.151,1333 154.981,1334 374.285,1335 543.87,1336 349,1337 6.921}
{0 CHEMBL54007,1 1.635,2 10.222,3 3.526,4 12.434,5 114.376,6 7.395,7 0.429,8 4.045,9 4.195,10 3.577,11 3.503,12 5.195,13 3.475,14 4.55,15 4.761,16 3.958,17 3.873,18 5.627,19 3.823,20 4.805,21 5.027,22 4.097,23 4.048,24 5.889,25 3.987,26 4.939,27 5.198,28 4.071,29 4.088,30 6.001,31 3.999,32 4.935,33 5.187,34 4.003,35 4.067,36 6.03,37 3.98,38 4.968,39 5.236,40 3.978,41 4.071,42 5.987,43 3.943,44 4.836,45 5.092,46 4.103,47 4.026,48 5.897,49 3.883,50 4.737,51 4.973,52 3.78,53 3.885,54 5.825,55 3.714,56 0.12,57 0.791,58 11.74,59 4.295,60 17.414,61 6.283,62 0.265,63 1.162,64 21.628,65 7.175,66 34.584,67 10.667,68 0.434,69 1.411,70 30.052,71 7.47,72 41.701,73 12.362,74 0.496,75 1.497,76 35.571,77 9.003,78 64.119,79 14.855,80 0.509,81 1.479,82 33.378,83 8.21,84 65.653,85 13.921,86 0.567,87 1.357,88 37.156,89 10.451,90 78.713,91 15.767,92 0.446,93 1.155,94 37.227,95 10.234,96 57.155,97 15.105,98 0.616,99 0.962,100 43.232,101 9.845,102 68.55,103 13.543,104 78,105 40,106 0.276,107 0.627,108 0.754,109 0.813,110 0.813,111 0.813,112 3.34,113 0.971,114 -4.51,115 -4.43,116 -4.17,119 34,120 4,121 1,125 2,129 1,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 7,172 3,173 3,175 1,178 9,180 1,182 10,185 1,187 1,189 6,191 1,193 14,195 1,196 2,197 1,198 5,200 2,201 4,204 5,205 1,207 8,210 1,212 7,215 4,218 4,220 2,221 3,223 1,224 1,226 2,229 4,231 2,233 2,234 4,236 1,237 1,239 3,241 10,243 2,245 2,246 2,248 2,249 2,251 3,254 7,260 1,262 1,263 1,265 3,270 1,273 1093,274 17.35,275 17.35,276 17.35,277 17.35,278 17.35,279 15.677,280 24.554,281 10.037,282 17.8,283 13.683,284 13.683,285 13.683,286 13.683,287 13.683,288 11.094,289 38.719,290 4.543,291 14.489,292 4.093,293 2.011,294 1.255,295 0.906,296 0.906,297 0.906,298 3.996,299 1,301 1,302 1,303 554,304 4.183,307 191.71,314 1.547,315 28.193,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 58.833,327 276,328 4.535,329 3.473,330 7.11,331 4.272,332 3.309,333 4.257,334 0.4,335 11.654,336 3.183,337 4.33,338 3.276,339 6.77,340 4.145,341 3.17,342 3.817,344 11.075,345 3.093,346 4.166,347 3.106,348 6.045,349 3.715,350 2.784,351 3.337,353 8.665,354 2.57,355 3.623,356 2.385,357 5.304,358 3.188,359 2.261,360 3.002,362 6.62,363 2.087,364 3.301,365 2.226,366 5.038,367 2.933,368 1.985,369 2.549,371 5.702,372 1.877,373 3.171,374 2.067,375 4.757,376 2.812,377 1.851,378 2.369,380 5.018,381 1.768,382 3.066,383 1.935,384 4.667,385 2.668,386 1.726,387 2.212,389 4.908,390 1.615,391 2.769,392 1.804,393 4.222,394 2.442,395 1.515,396 1.814,398 3.897,399 1.357,400 2.362,401 1.345,402 3.329,403 1.992,404 1.037,405 1.245,407 1.989,408 0.983,409 1.76,410 0.832,411 3.288,412 1.548,413 0.586,414 0.664,415 1.163,416 0.55,417 1.653,418 0.626,419 3.008,420 1.352,421 0.424,422 0.51,423 0.821,424 0.383,425 1.374,426 0.389,427 2.75,428 1.029,429 0.111,430 0.134,431 0.218,432 0.096,433 1.066,434 0.027,435 2.531,436 0.62,437 -0.252,438 -0.305,439 -0.575,440 -0.198,441 0.825,442 -0.305,443 2.435,444 0.438,445 -0.478,446 -0.587,448 -1.146,449 -0.437,450 0.671,451 -0.325,452 2.248,453 0.281,454 -0.638,455 -0.72,457 -1.258,458 -0.558,459 12.848,460 0.476,461 0.919,462 0.034,463 31.75,464 1.176,465 15,466 0.556,467 16.75,468 0.62,469 27.501,470 1.019,471 30.952,472 0.584,473 24.725,474 0.916,475 5.979,476 0.221,477 6.689,478 0.248,479 0.299,480 0.039,481 0.304,485 0.887,486 1.339,487 0.746,488 1.067,489 1.11,490 1.016,491 0.686,492 1.133,493 0.618,494 0.9,495 0.611,496 0.839,497 1.145,498 1.248,499 0.967,500 0.96,501 0.883,502 0.972,503 0.851,504 1.144,505 0.873,506 0.978,507 0.68,508 0.949,509 1.112,510 1.126,511 0.896,512 0.983,513 1.073,514 1.041,515 1.175,516 0.875,517 0.86,518 0.824,519 1.386,520 0.896,521 0.697,522 0.992,523 1.089,524 1.1,525 0.639,526 1.018,527 1.438,528 0.876,529 2.341,530 1.539,531 1.281,532 1.332,533 7.5,534 0.182,535 3.778,536 2.688,537 1.818,538 1.125,539 0.894,540 0.477,541 0.414,542 0.311,543 7396,544 21425,545 1.884,546 49.1,547 3,548 7,551 5,552 2,553 9,555 1.705,556 1.696,557 3.289,558 2.584,560 1,564 86.658,565 1.635,566 3.717,567 4.473,568 4.822,569 4.822,570 4.822,571 2.689,572 4.459,573 4.729,574 3.48,575 1221.55,576 8.227,577 15714.5,579 1,581 1,582 303.58,583 1.747,584 4.628,585 0.268,586 0.008,587 0.094,588 0.063,589 0.043,590 0.03,591 0.026,592 0.014,593 0.017,594 0.014,595 0.576,597 1,598 1.753,599 133.211,600 -0.027,601 0.027,602 0.003,603 0.029,604 -0.2,605 0.019,606 0.162,607 0.037,608 0.199,609 0.142,610 0.163,611 0.179,612 -0.136,613 -0.086,614 -0.039,615 0.018,616 -0.083,617 -0.01,618 0.031,619 -0.093,620 0.032,621 -0.019,622 0.094,623 0.02,624 -0.14,625 -0.034,626 -0.094,627 -0.07,628 -0.096,629 -0.106,630 -0.09,631 0.065,632 0.065,633 0.15,634 -0.162,635 0.082,636 0.212,637 -0.038,638 0.191,639 0.005,640 0.175,641 0.033,642 -0.085,643 0.018,644 -0.432,645 -0.325,646 -0.106,647 -0.262,648 1.541,649 3.248,650 0.444,651 23.243,652 1.004,653 1.147,654 3.276,655 10.731,656 0.641,657 3.367,658 3.714,659 3.912,660 4.127,661 4.29,662 4.344,663 4.407,664 4.407,665 4.443,666 4.454,667 6.209,668 0.603,669 391.96,670 3.367,671 4.92,672 5.753,673 6.642,674 7.498,675 8.39,676 9.254,677 10.145,678 11.014,679 11.906,680 13.2,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 53,719 13,720 1,721 28,723 54,724 18,725 10,726 3,727 3,729 2,730 2,731 1,734 5,739 1,741 10,742 8,743 1,744 1,750 2,754 1,757 26,758 8,759 5,760 9,761 1,764 7,769 1,770 1,771 1,776 1,781 2,800 1,802 2,806 4,807 1,810 27,811 2,815 1,816 3,821 1,822 1,828 1,829 1.9,830 1,836 15.917,837 10.51,838 6.028,839 3.102,840 2.779,841 1.405,842 0.904,843 6.981,844 9.642,845 3.584,846 4.174,847 4.705,848 5.273,849 5.794,850 6.099,851 6.446,852 6.773,853 7.104,854 7.359,855 0.857,856 43,857 9.91,859 4.037,860 7.853,861 18.634,863 14.542,865 2.353,866 63.528,868 1,869 1,870 247.193,871 87.982,872 135.571,873 39.149,874 42.683,877 87.982,878 329.025,879 135.571,880 35.301,881 7.642,882 136.906,883 33.571,884 15.385,885 37.431,886 247.193,887 39.149,888 247.193,889 223.553,890 42.683,891 39.149,893 141.253,894 105.94,895 42.683,897 47.599,898 109.18,899 105.923,901 247.193,902 178.254,903 127.131,906 247.193,907 24.253,908 66.731,910 214.401,911 247.193,912 178.254,913 127.131,915 0.586,916 0.336,917 0.177,918 0.095,919 17,920 10,921 0.13,922 7,924 1,925 3.604,926 221.01,928 12,929 123.627,933 21.353,934 8.827,935 5.283,937 178.254,938 5.352,939 8.338,943 3.637,945 108.478,946 552.578,947 35,953 8.543,956 53.2,957 60.794,958 0.285,959 0.649,960 0.781,961 0.842,962 0.842,963 0.842,964 4.844,965 1.515,966 5.802,967 4.908,968 4.394,969 4.86,970 0.278,971 6.668,972 4.29,973 6.086,974 1.037,975 7.414,976 3.897,977 4.29,978 4.832,980 7.89,981 4.135,982 7.421,983 0.586,984 9.137,985 1.989,986 6.098,987 7.057,988 0.05,989 10.894,990 5.915,991 8.791,992 0.424,993 10.924,994 1.163,995 6.746,996 7.754,998 12.879,999 6.522,1000 10.189,1001 0.111,1002 12.752,1003 0.821,1004 8.128,1005 9.54,1006 0.008,1007 15.49,1008 7.879,1009 11.606,1010 -0.252,1011 14.607,1012 0.218,1013 9.086,1014 10.582,1016 17.758,1017 8.802,1018 13.038,1019 -0.478,1020 16.483,1021 -0.575,1022 10.326,1023 12.181,1024 0.001,1025 20.248,1026 10.015,1027 3.309,1028 -0.638,1029 18.373,1030 -1.146,1031 11.411,1032 13.403,1034 22.62,1035 11.068,1036 3.17,1037 11.654,1038 20.275,1039 -1.258,1040 12.603,1041 14.914,1043 25.072,1044 12.232,1045 2.784,1046 11.075,1047 22.186,1048 4.257,1049 13.741,1050 16.233,1052 27.484,1053 13.337,1054 2.261,1055 8.665,1056 24.104,1057 3.817,1058 14.919,1059 17.701,1061 29.924,1062 14.486,1063 1.985,1064 6.62,1065 26.027,1066 3.337,1067 16.078,1068 19.073,1070 32.352,1071 15.613,1072 1.851,1073 5.702,1074 27.955,1075 3.002,1076 17.253,1077 20.522,1079 34.79,1080 16.757,1081 1.726,1082 5.018,1083 29.886,1084 2.549,1085 18.423,1086 21.923,1088 37.225,1089 17.894,1090 7697,1091 13256,1092 17.107,1093 33.966,1094 42.218,1095 42.557,1096 44.218,1097 41.65,1098 41.52,1099 51.818,1100 0.8,1101 123.461,1102 39.125,1103 5.333,1104 5.473,1105 6.874,1106 5.342,1107 5.309,1108 7.257,1109 0.8,1110 18.545,1111 5.183,1112 18.955,1113 1.508,1114 1.52,1115 1.579,1116 1.488,1117 1.483,1118 1.851,1119 0.029,1120 4.409,1121 1.397,1122 4.016,1123 4.051,1124 4.056,1125 3.936,1126 6.456,1127 3.94,1128 3.808,1129 3.876,1130 3.824,1131 3.636,1132 5.287,1133 3.651,1134 3.741,1135 3.788,1136 3.679,1137 3.609,1138 5.038,1139 3.609,1140 3.439,1141 3.509,1142 3.295,1143 3.225,1144 4.975,1145 3.22,1146 3.392,1147 3.485,1148 3.251,1149 3.193,1150 4.72,1151 3.184,1152 3.139,1153 3.235,1154 3.204,1155 2.904,1156 4.465,1157 2.927,1158 3.062,1159 3.167,1160 3.043,1161 2.812,1162 4.282,1163 2.828,1164 2.875,1165 3.009,1166 2.897,1167 2.621,1168 4.2,1169 2.64,1170 0.162,1171 0.124,1172 0.254,1173 0.153,1174 0.118,1175 4.535,1176 0.152,1177 3.473,1178 0.014,1179 7.11,1180 0.416,1181 4.272,1182 0.114,1183 3.309,1184 4.257,1185 0.4,1186 11.654,1187 3.183,1188 1.958,1189 1.935,1190 2.025,1191 2.065,1192 1.207,1193 2.054,1194 1.757,1195 1.694,1196 1.98,1197 1.967,1198 1.187,1199 1.969,1200 1.699,1201 1.654,1202 1.85,1203 1.848,1204 1.004,1205 1.851,1206 1.416,1207 1.346,1208 1.716,1209 1.672,1210 0.94,1211 1.691,1212 1.381,1213 1.296,1214 1.615,1215 1.633,1216 0.596,1217 1.652,1218 1.022,1219 0.949,1220 1.417,1221 1.378,1222 0.469,1223 1.358,1224 0.96,1225 0.885,1226 1.417,1227 1.297,1228 0.469,1229 1.308,1230 0.934,1231 0.804,1232 1.267,1233 1.239,1234 0.185,1235 1.308,1236 4.043,1238 5.38,1240 6.907,1242 8.525,1244 10.191,1246 7.927,1247 6.293,1250 11.786,1251 9.248,1252 0.992,1257 1.703,1258 -0.291,1262 31.96,1263 86.658,1264 197.011,1265 237.05,1266 255.541,1267 255.541,1268 255.541,1269 67.669,1270 6.863,1271 126.01,1272 126.01,1273 12,1274 12.438,1275 3.807,1276 3,1277 58.214,1278 101,1279 96,1280 0.287,1281 208.043,1282 355.96,1283 499.385,1284 7594,1285 1.9,1286 20.19,1287 0.748,1288 0.623,1289 20.69,1290 16.825,1291 12.667,1292 0.452,1293 0.324,1294 8.596,1295 11.856,1296 8.188,1297 6.908,1298 12.956,1299 9.067,1300 12.039,1301 0.301,1302 0.186,1303 12.41,1304 7.423,1305 8.9,1306 0.182,1307 0.087,1308 9.28,1309 4.265,1310 7.293,1311 0.12,1312 0.045,1313 7.527,1314 2.728,1315 5.543,1316 0.077,1317 0.023,1318 5.785,1319 1.683,1320 0.445,1321 82.741,1322 0.242,1323 25.644,1324 0.803,1325 136,1326 395.203,1327 165.586,1328 419.314,1329 562.61,1330 388,1331 157,1332 401.513,1333 182.771,1334 416.725,1335 601.12,1336 389,1337 4.987}
{0 CHEMBL54399,1 1.623,2 9.364,3 3.072,4 9.435,5 89.406,6 8.508,7 0.708,8 3.732,9 3.868,10 3.405,11 3.268,12 4.931,13 3.263,14 4.196,15 4.375,16 3.789,17 3.633,18 5.391,19 3.61,20 4.398,21 4.589,22 3.83,23 3.762,24 5.553,25 3.71,26 4.453,27 4.675,28 3.721,29 3.726,30 5.538,31 3.635,32 4.461,33 4.709,34 3.567,35 3.673,36 5.493,37 3.556,38 4.39,39 4.654,40 3.345,41 3.554,42 5.366,43 3.404,44 4.115,45 4.374,46 3.367,47 3.353,48 5.104,49 3.253,50 3.949,51 4.167,52 3.26,53 3.238,54 5.113,55 3.153,56 0.067,57 0.606,58 6.29,59 2.661,60 10.739,61 3.468,62 0.203,63 0.907,64 12.107,65 4.597,66 19.549,67 6.153,68 0.3,69 1.051,70 17.197,71 5.563,72 27.925,73 7.351,74 0.259,75 1.034,76 18.997,77 6.542,78 29.133,79 9.103,80 0.284,81 0.989,82 20.267,83 6.497,84 37.269,85 9.074,86 0.385,87 0.847,88 24.394,89 6.57,90 40.188,91 9.029,92 0.181,93 0.682,94 15.164,95 4.991,96 20.13,97 7.178,98 0.201,99 0.609,100 11.914,101 3.473,102 24.487,103 4.639,104 17,105 34,106 0.291,107 0.647,108 0.788,109 0.883,110 0.883,111 0.883,112 3.147,113 0.882,114 -4.11,115 -4.06,116 -3.84,119 40.5,124 1,125 1,139 6,141 2,143 3,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 4,172 3,173 3,178 5,181 3,182 4,184 1,185 1,189 2,193 4,195 1,196 1,197 1,198 2,200 2,201 1,204 2,205 1,207 3,209 1,210 1,212 2,215 2,218 2,220 2,221 1,223 1,224 1,229 3,234 2,241 3,246 4,248 1,249 1,251 2,254 2,256 2,260 2,265 1,270 1,273 600,274 14.533,275 14.533,276 14.533,277 14.533,278 14.533,279 12.445,280 18.153,281 8.469,282 15.002,283 11.849,284 11.849,285 11.849,286 11.849,287 11.849,288 8.739,289 25.136,290 4.054,291 12.682,292 3.587,293 1.605,294 0.818,295 0.291,296 0.291,297 0.291,298 3.824,299 1,300 1,301 1,302 1,303 440,304 2.739,307 182.243,311 94.586,314 1.455,315 17.978,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47.333,327 206,328 4.542,329 3.197,330 6.503,331 4.036,332 3.084,333 4.491,334 0.916,335 10.18,336 2.937,337 4.145,338 3.084,339 6.077,340 3.791,341 2.849,342 3.706,343 0.172,344 8.805,345 2.676,346 3.779,347 2.825,348 5.324,349 3.353,350 2.414,351 3.239,353 6.916,354 2.267,355 3.489,356 2.465,357 5.063,358 3.062,359 2.169,360 2.811,362 5.924,363 1.914,364 3.425,365 2.167,366 5.007,367 2.953,368 2.021,369 2.776,371 5.795,372 1.877,373 3.321,374 2.033,375 4.924,376 2.865,377 1.927,378 2.612,380 5.619,381 1.766,382 2.726,383 1.536,384 3.982,385 2.27,386 1.327,387 1.817,389 3.254,390 1.206,391 2.458,392 1.107,393 3.708,394 2.012,395 1.036,396 1.441,398 2.565,399 1.009,400 2.366,401 1.057,402 3.466,403 1.944,404 1,405 1.332,407 2.459,408 0.941,409 1.492,410 0.388,411 2.886,412 1.105,413 0.166,414 0.21,415 0.418,416 0.156,417 0.989,418 0.207,419 2.656,420 0.546,421 -0.378,422 -0.473,423 -0.885,424 -0.254,425 0.935,426 -0.191,427 2.503,428 0.443,429 -0.414,430 -0.518,431 -1.059,432 -0.361,433 0.778,434 -0.307,435 2.246,436 0.391,437 -0.497,438 -0.606,439 -1.277,440 -0.453,441 0.605,442 -0.625,443 2,444 0.167,445 -0.792,446 -1.007,448 -2.072,449 -0.748,450 0.506,451 -0.72,452 1.883,453 0.132,454 -0.815,455 -1.09,457 -2.214,458 -0.77,459 10.614,460 0.482,461 0.647,462 0.029,463 32.5,464 1.477,465 17.5,466 0.795,467 15,468 0.682,469 14.355,470 0.653,471 22.986,472 0.621,473 22.085,474 1.004,475 6.473,476 0.294,477 4.052,478 0.184,479 0.19,481 0.367,485 0.985,486 1.347,487 0.62,488 0.874,489 1.162,490 0.809,491 0.759,492 1.024,493 0.615,494 0.791,495 0.45,496 0.768,497 1.112,498 1.025,499 1.05,500 1.009,501 0.945,502 1.028,503 0.734,504 1.196,505 0.857,506 1.174,507 0.666,508 1.142,509 0.998,510 1.026,511 0.95,512 1.041,513 1.056,514 1.105,515 1.156,516 0.687,517 1.394,518 1.061,519 1.256,520 1.098,521 0.568,522 0.998,523 0.606,524 0.88,525 0.471,526 0.832,527 1.387,528 0.98,529 1.191,530 0.98,531 1.493,532 1.073,533 5.5,534 0.07,535 2.444,536 1.688,537 1.64,538 0.444,539 0.426,540 0.295,541 0.18,542 0.161,543 4968,544 15626,545 2.043,546 40.5,548 11,551 4,555 1.643,556 1.886,557 3.221,558 1.914,559 1,560 1,562 1,564 60.033,565 1.623,566 3.604,567 4.391,568 4.919,569 4.919,570 4.919,571 2.704,572 4.278,573 4.434,574 3.349,575 773.689,576 7.603,577 8469.52,578 1,579 1,580 1,581 1,582 192.75,583 1.495,584 4.376,585 0.229,586 0.007,587 0.072,588 0.05,589 0.057,590 0.019,591 0.022,592 0.015,593 0.011,594 0.012,595 0.492,596 0.33,597 1,598 0.65,599 101.205,600 -0.177,601 -0.145,603 0.025,604 -0.303,605 0.045,606 0.129,607 0.099,608 0.118,609 0.124,610 0.259,611 0.127,612 -0.097,613 0.068,614 -0.17,615 -0.086,616 -0.095,617 -0.136,618 0.097,619 -0.213,620 -0.023,621 -0.209,622 0.138,623 -0.167,624 -0.12,625 -0.075,626 -0.083,627 -0.081,628 -0.118,629 -0.12,630 -0.115,631 0.195,632 -0.227,633 -0.037,634 -0.26,635 -0.07,636 0.199,637 -0.112,638 0.279,639 0.132,640 0.267,641 0.22,642 -0.294,643 0.053,644 -0.201,645 -0.045,646 -0.313,647 -0.158,648 1.518,649 1.907,650 0.727,651 16.182,652 1.01,653 1.135,654 2.88,655 8.292,656 0.695,657 3.219,658 3.555,659 3.784,660 4.043,661 4.263,662 4.234,663 4.317,664 4.344,665 4.477,666 4.394,667 5.578,668 0.665,669 314.81,670 3.219,671 4.762,672 5.602,673 6.482,674 7.338,675 8.217,676 9.081,677 9.96,678 10.827,679 11.706,680 16.2,684 2,686 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,714 1,717 1,718 37,719 17,720 1,721 24,723 39,724 15,725 13,726 2,727 4,729 3,730 4,731 1,741 13,742 2,753 1,754 1,757 15,758 6,759 4,760 7,761 1,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,807 1,810 22,811 2,816 1,821 1,828 1,836 11.667,837 6.86,838 4.75,839 1.936,840 3.268,841 1.476,842 1.013,843 4.007,844 10.139,845 3.512,846 4.174,847 4.769,848 5.38,849 5.964,850 6.175,851 6.511,852 6.843,853 7.264,854 7.276,855 1,856 34,857 8.032,859 3.359,860 7.785,861 15.121,863 12.084,865 2.285,866 50.278,870 129.482,871 84.889,872 119.275,873 39.149,877 84.889,878 168.631,879 119.275,880 8.396,881 2.106,882 122.652,883 50.357,884 16.427,885 4.227,886 129.482,887 39.149,888 129.482,889 204.164,891 39.149,893 129.482,897 11.05,898 142.758,899 89.505,901 129.482,902 119.275,903 124.038,906 129.482,907 19.635,908 68.378,910 155.3,911 129.482,912 119.275,913 124.038,915 0.589,916 0.336,917 0.182,918 0.101,919 17,920 8,921 0.077,922 3,923 1,924 1.125,925 3.406,926 170.846,927 0.125,928 16,929 98.107,933 14.818,934 5.949,935 3.235,936 1.199,937 119.275,938 11.394,939 12.586,943 3,945 65.794,946 372.795,947 32.5,956 37.353,957 42.01,958 0.311,959 0.692,960 0.843,961 0.944,962 0.944,963 0.944,964 4.738,965 1.036,966 5.602,967 3.254,968 4.234,969 4.86,970 0.918,971 6.399,972 4.104,973 5.972,974 1,975 7.155,976 2.565,977 3.892,978 4.745,979 0.325,980 7.235,981 3.653,982 7.289,983 0.166,984 8.802,985 2.459,986 5.82,987 7.13,988 0.671,989 10.315,990 5.578,991 8.638,992 -0.378,993 10.501,994 0.418,995 6.217,996 7.783,997 0.393,998 11.938,999 5.88,1000 10.014,1001 -0.414,1002 12.233,1003 -0.885,1004 7.665,1005 9.681,1006 0.533,1007 14.547,1008 7.32,1009 11.411,1010 -0.497,1011 13.989,1012 -1.059,1013 8.42,1014 10.734,1015 0.384,1016 16.533,1017 7.997,1018 12.824,1019 -0.792,1020 15.762,1021 -1.277,1022 9.666,1023 12.412,1024 0.438,1025 18.959,1026 9.223,1027 3.084,1028 -0.815,1029 17.551,1030 -2.072,1031 10.601,1032 13.682,1033 0.351,1034 21.117,1035 10.092,1036 2.849,1037 10.18,1038 19.351,1039 -2.214,1040 11.761,1041 15.256,1042 0.366,1043 23.469,1044 11.221,1045 2.414,1046 8.805,1047 21.16,1048 4.491,1049 12.784,1050 16.639,1051 0.312,1052 25.707,1053 12.186,1054 2.169,1055 6.916,1056 22.979,1057 3.706,1058 13.91,1059 18.167,1060 0.309,1061 28.031,1062 13.273,1063 2.021,1064 5.924,1065 24.804,1066 3.239,1067 14.977,1068 19.609,1069 0.273,1070 30.306,1071 14.287,1072 1.927,1073 5.795,1074 26.634,1075 2.811,1076 16.09,1077 21.118,1078 0.262,1079 32.62,1080 15.358,1081 1.327,1082 5.619,1083 28.47,1084 2.776,1085 17.179,1086 22.588,1087 0.236,1088 34.914,1089 16.395,1090 4847,1091 8706,1092 15.72,1093 25.699,1094 36.403,1095 36.246,1096 37.215,1097 36.199,1098 35.986,1099 48.867,1100 2.178,1101 103.871,1102 33.501,1103 5.368,1104 5.197,1105 6.055,1106 5.109,1107 5.084,1108 7.491,1109 1.605,1110 17.074,1111 4.937,1112 11.567,1113 1.517,1114 1.51,1115 1.551,1116 1.508,1117 1.499,1118 2.036,1119 0.091,1120 4.328,1121 1.396,1122 4.056,1123 4.1,1124 4.043,1125 3.929,1126 5.323,1127 3.948,1128 3.905,1129 3.937,1130 3.979,1131 3.833,1132 4.989,1133 3.83,1134 3.546,1135 3.614,1136 3.522,1137 3.362,1138 4.943,1139 3.381,1140 3.314,1141 3.399,1142 3.335,1143 3.103,1144 4.774,1145 3.112,1146 3.115,1147 3.229,1148 3.095,1149 2.825,1150 4.385,1151 2.858,1152 2.916,1153 3.018,1154 3.005,1155 2.794,1156 4.215,1157 2.768,1158 2.878,1159 2.922,1160 2.735,1161 2.706,1162 4.007,1163 2.702,1164 2.742,1165 2.812,1166 2.561,1167 2.61,1168 3.903,1169 2.583,1170 0.189,1171 0.133,1172 0.271,1173 0.168,1174 0.128,1175 4.542,1176 0.187,1177 3.197,1178 0.038,1179 6.503,1180 0.424,1181 4.036,1182 0.122,1183 3.084,1184 4.491,1185 0.916,1186 10.18,1187 2.937,1188 1.974,1189 1.938,1190 2.041,1191 2.124,1192 1.164,1193 2.1,1194 1.881,1195 1.854,1196 1.966,1197 1.981,1198 1.049,1199 1.985,1200 1.488,1201 1.424,1202 1.684,1203 1.705,1204 0.802,1205 1.704,1206 1.27,1207 1.188,1208 1.515,1209 1.525,1210 0.544,1211 1.534,1212 1.008,1213 0.912,1214 1.292,1215 1.383,1216 0.312,1217 1.364,1218 0.92,1219 0.824,1220 1.268,1221 1.189,1222 0.176,1223 1.23,1224 0.868,1225 0.819,1226 1.105,1227 1.018,1228 0.102,1229 1.061,1230 0.757,1231 0.696,1232 0.997,1233 0.935,1235 0.965,1236 3.892,1238 5.22,1240 6.742,1242 8.354,1244 10.015,1246 1.973,1247 6.018,1250 11.446,1252 0.611,1257 2.05,1262 24.59,1263 60.033,1264 133.366,1265 162.485,1266 181.995,1267 181.995,1268 181.995,1269 28.479,1270 6.871,1271 93.95,1272 93.95,1273 18,1274 12.245,1275 4.17,1276 3.248,1277 34.578,1278 74,1279 64,1280 0.233,1281 158.155,1282 258.37,1283 377.658,1284 8161,1285 2.7,1286 15.69,1287 0.713,1288 0.579,1289 16.19,1290 12.749,1291 10.525,1292 0.439,1293 0.294,1294 6.613,1295 9.849,1296 6.395,1297 5.326,1298 10.814,1299 7.059,1300 9.902,1301 0.291,1302 0.159,1303 10.31,1304 5.41,1305 7.854,1306 0.183,1307 0.082,1308 8.116,1309 3.527,1310 6.701,1311 0.12,1312 0.043,1313 6.955,1314 2.416,1315 5.343,1316 0.076,1317 0.023,1318 5.577,1319 1.614,1320 0.363,1321 68.786,1322 0.252,1323 21.666,1324 0.642,1325 116,1326 333.408,1327 142.038,1328 363.728,1329 493.47,1330 338,1331 135,1332 351.468,1333 155.527,1334 369.484,1335 536.3,1336 346,1337 7.174}
{0 CHEMBL54523,1 1.613,2 9.455,3 2.037,4 4.151,5 86.83,6 7.799,7 0.708,8 3.763,9 3.9,10 3.358,11 3.24,12 4.975,13 3.254,14 4.218,15 4.39,16 3.694,17 3.579,18 5.411,19 3.576,20 4.389,21 4.587,22 3.755,23 3.674,24 5.558,25 3.657,26 4.411,27 4.615,28 3.601,29 3.645,30 5.526,31 3.588,32 4.455,33 4.701,34 3.401,35 3.597,36 5.471,37 3.495,38 4.387,39 4.675,40 3.258,41 3.462,42 5.339,43 3.336,44 4.151,45 4.423,46 3.183,47 3.3,48 5.08,49 3.216,50 3.934,51 4.141,52 3.151,53 3.203,54 5.032,55 3.148,56 0.079,57 0.619,58 7.409,59 2.724,60 11.448,61 3.682,62 0.239,63 0.907,64 13.133,65 4.682,66 23.553,67 6.321,68 0.338,69 1.04,70 16.138,71 5.056,72 28.645,73 7.207,74 0.262,75 1.008,76 16.754,77 5.565,78 29.021,79 7.89,80 0.319,81 0.974,82 19.053,83 5.801,84 36.833,85 8.599,86 0.368,87 0.847,88 19.301,89 5.839,90 38.313,91 8.964,92 0.211,93 0.685,94 14.972,95 4.644,96 23.078,97 6.998,98 0.155,99 0.615,100 10.444,101 3.576,102 17.617,103 5.032,104 11,105 33,106 0.288,107 0.641,108 0.786,109 0.877,110 0.887,111 0.887,112 3.146,113 0.841,114 -3.1,115 -3.1,116 -2.98,119 39.5,124 1,125 1,139 6,141 2,143 3,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 3,172 3,173 3,175 1,178 2,181 2,182 4,184 1,185 3,187 3,189 1,193 2,195 1,196 1,197 1,198 4,200 2,204 2,205 1,207 2,209 1,210 1,212 2,215 1,218 2,220 1,221 3,224 2,225 1,228 1,229 3,234 2,241 3,246 2,250 1,251 1,253 1,254 1,256 1,259 2,260 4,262 1,263 1,265 2,270 2,273 604,274 14.955,275 14.955,276 14.955,277 14.955,278 14.955,279 12.867,280 18.581,281 8.815,282 15.414,283 11.787,284 11.787,285 11.787,286 11.787,287 11.787,288 8.628,289 25.412,290 4.102,291 12.462,292 3.635,293 1.658,294 0.849,295 0.336,296 0.283,297 0.283,298 3.829,300 1,301 1,302 1,303 444,304 2.55,307 180.05,311 92.663,314 1.504,315 19.029,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48,327 208,328 4.541,329 3.144,330 6.502,331 4.032,332 3.079,333 4.491,334 0.86,335 10.175,336 2.934,337 4.194,338 3.081,339 6.131,340 3.794,341 2.84,342 3.801,343 0.657,344 8.987,345 2.705,346 3.766,347 2.637,348 5.311,349 3.349,350 2.401,351 3.231,353 6.877,354 2.279,355 3.429,356 2.196,357 5.062,358 2.971,359 2.045,360 2.811,362 5.803,363 1.888,364 3.375,365 2.064,366 4.971,367 2.911,368 1.966,369 2.699,371 5.756,372 1.854,373 2.919,374 1.954,375 4.388,376 2.539,377 1.605,378 2.097,380 4.24,381 1.496,382 2.916,383 1.535,384 3.71,385 2.448,386 1.465,387 2.054,389 3.055,390 1.434,391 2.454,392 1.059,393 3.631,394 1.959,395 1.008,396 1.434,398 2.565,399 0.956,400 1.978,401 0.945,402 3.229,403 1.678,404 0.736,405 0.887,407 1.694,408 0.691,409 1.639,410 0.891,411 2.777,412 1.343,413 0.461,414 0.523,415 0.747,416 0.403,417 1.342,418 0.218,419 2.673,420 0.944,421 0.021,422 0.027,423 0.049,424 0.019,425 0.976,426 -0.149,427 2.537,428 0.509,429 -0.419,430 -0.529,431 -0.958,432 -0.386,433 0.807,434 -0.3,435 2.38,436 0.431,437 -0.492,438 -0.605,439 -1.171,440 -0.451,441 0.586,442 -0.542,443 2.051,444 0.139,445 -0.81,446 -1.017,448 -1.89,449 -0.756,450 0.553,451 -0.727,452 2,453 0.131,454 -0.818,455 -1.114,457 -2.139,458 -0.778,459 10.233,460 0.465,461 0.503,462 0.023,463 33,464 1.5,465 18,466 0.818,467 15,468 0.682,469 13.053,470 0.593,471 23.367,472 0.615,473 22.508,474 1.023,475 6.735,476 0.306,477 3.934,478 0.179,479 0.127,481 0.342,485 1.107,486 1.312,487 0.798,488 0.995,489 1.274,490 0.854,491 1.025,492 1.077,493 0.779,494 0.949,495 0.667,496 0.857,497 0.998,498 1.022,499 0.947,500 0.967,501 0.86,502 0.946,503 1.122,504 1.267,505 1.141,506 1.263,507 0.875,508 1.224,509 1.124,510 1.062,511 1.219,512 1.133,513 1.184,514 1.185,515 0.647,516 0.686,517 0.925,518 0.873,519 0.821,520 0.93,521 0.876,522 0.819,523 0.768,524 0.789,525 0.737,526 0.763,527 1.05,528 1.081,529 1.042,530 1.132,531 1.059,532 1.097,533 4.5,534 0.099,535 2.444,536 1.313,537 1.4,538 0.528,539 0.223,540 0.264,541 0.23,542 0.131,543 5080,544 14574,545 2.07,546 42.1,548 11,551 5,555 1.642,556 1.941,557 3.222,558 2.779,559 1,560 1,562 1,564 61.308,565 1.613,566 3.59,567 4.399,568 4.912,569 4.965,570 4.965,571 2.704,572 4.278,573 4.435,574 3.374,575 779.419,576 7.599,577 8647.97,578 1,579 1,581 1,582 199.421,583 1.395,584 4.392,585 0.188,586 0.009,587 0.074,588 0.039,589 0.05,590 0.024,591 0.012,592 0.014,593 0.013,594 0.008,595 0.43,596 0.33,597 1,598 0.797,599 101.683,600 -0.192,601 -0.097,602 0.013,603 0.023,604 -0.313,605 0.059,606 0.049,607 0.026,608 0.113,609 0.057,610 0.165,611 0.078,612 0.044,613 0.078,614 -0.032,615 -0.016,616 0.024,617 -0.035,618 -0.122,619 -0.235,620 -0.219,621 -0.276,622 0.012,623 -0.274,624 -0.187,625 -0.104,626 -0.247,627 -0.163,628 -0.21,629 -0.209,630 0.166,631 0.191,632 0.104,633 0.104,634 0.07,635 0.097,636 -0.012,637 0.054,638 0.252,639 0.223,640 0.06,641 0.281,642 -0.096,643 -0.061,644 -0.117,645 -0.125,646 -0.123,647 -0.124,648 1.522,649 1.845,650 0.727,651 16.727,652 1.009,653 1.139,654 1.871,655 3.501,656 0.666,657 3.219,658 3.526,659 3.784,660 4.025,661 4.234,662 4.205,663 4.248,664 4.317,665 4.454,666 4.431,667 5.704,668 0.644,669 296.37,670 3.219,671 4.745,672 5.587,673 6.457,674 7.314,675 8.186,676 9.049,677 9.922,678 10.787,679 11.661,680 15.8,684 2,685 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,712 1,716 1,718 38,719 17,720 1,721 24,723 40,724 15,725 13,726 2,727 4,729 3,730 4,741 13,742 2,753 1,754 1,757 16,758 7,759 5,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 1,810 22,811 2,816 1,817 1,818 1,829 2.6,834 1,836 11.333,837 6.933,838 4.917,839 1.953,840 3.386,841 1.49,842 1.009,843 4.045,844 10.298,845 3.512,846 4.159,847 4.773,848 5.369,849 5.948,850 6.151,851 6.471,852 6.818,853 7.235,854 7.266,855 1,856 34,857 8.031,859 3.33,860 7.78,861 15.087,863 11.88,865 2.28,866 50.167,870 129.482,871 89.118,872 134.162,874 11,877 89.118,878 140.482,879 134.162,880 10.883,881 2.106,882 122.652,883 68.367,884 26.045,885 4.227,886 129.482,888 129.482,889 223.28,890 11,893 129.482,894 11,897 11.05,898 143.863,899 68.367,901 129.482,902 145.162,903 89.118,906 129.482,907 21.378,908 67.741,909 18.011,910 127.151,911 129.482,912 145.162,913 89.118,915 0.576,916 0.343,917 0.188,918 0.1,919 16,920 7,921 0.1,922 4,923 1,924 1.125,925 3.454,926 168.687,927 0.125,928 16,929 98.107,933 14.506,934 6.135,935 3.108,936 1.18,937 145.162,938 11.392,939 12.515,943 2.916,945 83.805,946 363.762,947 32.5,956 38.356,957 43.275,958 0.307,959 0.684,960 0.838,961 0.936,962 0.946,963 0.946,964 4.721,965 1.008,966 5.565,967 3.055,968 4.205,969 4.844,970 1.207,971 6.354,972 4.098,973 5.941,974 0.736,975 7.111,976 2.565,977 3.761,978 4.691,980 7.209,981 3.601,982 7.254,983 0.461,984 8.755,985 1.694,986 5.778,987 7.122,988 0.903,989 10.286,990 5.574,991 8.605,992 0.021,993 10.456,994 0.747,995 6.133,996 7.782,998 11.956,999 5.87,1000 9.985,1001 -0.419,1002 12.194,1003 0.049,1004 7.621,1005 9.69,1006 0.678,1007 14.546,1008 7.324,1009 11.388,1010 -0.492,1011 13.958,1012 -0.958,1013 8.363,1014 10.756,1016 16.566,1017 8.006,1018 12.808,1019 -0.81,1020 15.74,1021 -1.171,1022 9.627,1023 12.433,1024 0.512,1025 18.979,1026 9.236,1027 3.079,1028 -0.818,1029 17.537,1030 -1.89,1031 10.558,1032 13.711,1034 21.154,1035 10.11,1036 2.84,1037 10.175,1038 19.345,1039 -2.139,1040 11.726,1041 15.283,1042 0.387,1043 23.499,1044 11.24,1045 2.401,1046 8.987,1047 21.162,1048 4.491,1049 12.749,1050 16.669,1052 25.743,1053 12.208,1054 2.045,1055 6.877,1056 22.986,1057 3.801,1058 13.877,1059 18.195,1060 0.293,1061 28.062,1062 13.295,1063 1.966,1064 5.803,1065 24.817,1066 3.231,1067 14.944,1068 19.636,1070 30.339,1071 14.31,1072 1.605,1073 5.756,1074 26.652,1075 2.811,1076 16.058,1077 21.142,1078 0.221,1079 32.65,1080 15.379,1081 1.465,1082 4.24,1083 28.492,1084 2.699,1085 17.146,1086 22.611,1088 34.943,1089 16.417,1090 4949,1091 8502,1092 16.008,1093 25.296,1094 35.339,1095 35.784,1096 36.426,1097 35.221,1098 35.255,1099 48.108,1100 3.035,1101 99.898,1102 33.315,1103 5.374,1104 5.144,1105 6.199,1106 5.105,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.934,1112 10.226,1113 1.472,1114 1.491,1115 1.518,1116 1.468,1117 1.469,1118 2.005,1119 0.126,1120 4.162,1121 1.388,1122 4.054,1123 4.098,1124 4.029,1125 3.924,1126 5.323,1127 3.944,1128 3.903,1129 3.932,1130 3.849,1131 3.814,1132 4.989,1133 3.818,1134 3.525,1135 3.594,1136 3.454,1137 3.338,1138 4.883,1139 3.359,1140 3.249,1141 3.315,1142 3.073,1143 2.994,1144 4.768,1145 3.004,1146 3.192,1147 3.28,1148 3.056,1149 2.958,1150 4.397,1151 2.968,1152 3.111,1153 3.228,1154 2.998,1155 2.806,1156 4.245,1157 2.845,1158 2.82,1159 2.894,1160 2.687,1161 2.684,1162 3.976,1163 2.673,1164 2.745,1165 2.823,1166 2.562,1167 2.592,1168 3.896,1169 2.576,1170 0.189,1171 0.131,1172 0.271,1173 0.168,1174 0.128,1175 4.541,1176 0.187,1177 3.144,1178 0.036,1179 6.502,1180 0.424,1181 4.032,1182 0.122,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.934,1188 1.971,1189 1.936,1190 2.038,1191 2.122,1192 1.136,1193 2.097,1194 1.875,1195 1.849,1196 1.976,1197 1.991,1198 1.046,1199 1.988,1200 1.459,1201 1.398,1202 1.62,1203 1.687,1204 0.741,1205 1.675,1206 1.198,1207 1.125,1208 1.573,1209 1.513,1210 0.574,1211 1.533,1212 1.146,1213 1.066,1214 1.39,1215 1.408,1216 0.337,1217 1.412,1218 0.998,1219 0.895,1220 1.272,1221 1.383,1222 0.185,1223 1.364,1224 0.836,1225 0.769,1226 1.126,1227 1.025,1228 0.094,1229 1.061,1230 0.742,1231 0.677,1232 0.986,1233 0.961,1235 0.976,1236 3.892,1238 5.198,1240 6.713,1242 8.325,1244 9.985,1246 1.636,1250 11.418,1252 0.528,1253 3.282,1254 5.299,1262 24.477,1263 61.308,1264 136.428,1265 167.157,1266 186.666,1267 188.666,1268 188.666,1269 27.387,1270 6.913,1271 111.97,1272 111.97,1273 18,1274 12.203,1275 4.17,1276 3.248,1277 34.612,1278 76,1279 64,1280 0.226,1281 153.818,1282 251.95,1283 367.076,1284 8904,1286 15.527,1287 0.706,1288 0.549,1289 15.527,1290 12.076,1291 10.669,1292 0.445,1293 0.28,1294 6.6,1295 10.188,1296 6.444,1297 5.383,1298 10.669,1299 6.727,1300 9.447,1301 0.286,1302 0.142,1303 9.447,1304 4.691,1305 7.903,1306 0.184,1307 0.075,1308 7.903,1309 3.211,1310 6.685,1311 0.122,1312 0.039,1313 6.685,1314 2.171,1315 5.29,1316 0.078,1317 0.021,1318 5.29,1319 1.419,1320 0.354,1321 67.386,1322 0.25,1323 21.759,1324 0.616,1325 114,1326 343.628,1327 127.036,1328 336.812,1329 467.89,1330 316,1331 133,1332 354.376,1333 146.148,1334 360.504,1335 524.09,1336 338,1337 6.377}
{0 CHEMBL54538,1 1.443,2 10.16,3 3.316,4 10.993,5 101.051,6 7.684,7 0.786,8 3.878,9 4.013,10 3.478,11 3.439,12 5.045,13 3.428,14 4.351,15 4.526,16 3.846,17 3.821,18 5.487,19 3.793,20 4.571,21 4.765,22 3.922,23 3.968,24 5.659,25 3.917,26 4.65,27 4.868,28 3.829,29 3.967,30 5.682,31 3.879,32 4.685,33 4.925,34 3.665,35 3.929,36 5.665,37 3.809,38 4.658,39 4.938,40 3.463,41 3.813,42 5.531,43 3.657,44 4.445,45 4.725,46 3.43,47 3.639,48 5.321,49 3.52,50 4.228,51 4.463,52 3.361,53 3.515,54 5.288,55 3.435,56 0.042,57 0.7,58 8.265,59 3.288,60 10.002,61 4.414,62 0.176,63 1.091,64 14.559,65 5.627,66 19.349,67 7.713,68 0.232,69 1.319,70 18.837,71 6.916,72 24.09,73 9.586,74 0.165,75 1.349,76 21.357,77 8.121,78 26.3,79 11.497,80 0.219,81 1.345,82 23.096,83 8.211,84 35.312,85 11.741,86 0.286,87 1.226,88 24.438,89 8.676,90 35.985,91 12.655,92 0.135,93 0.991,94 19.834,95 7.181,96 21.996,97 10.6,98 0.184,99 0.875,100 14.523,101 4.739,102 25.643,103 6.772,104 10,105 40,106 0.247,107 0.582,108 0.72,109 0.834,110 0.871,111 0.887,112 3.267,113 0.856,114 -4.41,115 -4.34,116 -4.09,119 44.2,124 1,125 1,139 9,140 2,141 1,143 3,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 4,172 3,173 3,178 11,181 3,182 6,184 1,185 1,189 9,193 5,195 1,196 1,197 1,198 2,200 2,201 5,204 2,205 1,207 4,209 1,210 1,212 2,215 4,218 2,220 2,221 3,223 1,224 1,229 5,234 3,241 6,246 5,248 1,249 1,251 2,254 4,256 2,260 6,265 3,268 1,270 3,273 813,274 16.947,275 16.947,276 16.947,277 16.947,278 16.947,279 14.348,280 16.551,281 9.905,282 17.276,283 13.837,284 13.837,285 13.837,286 13.837,287 13.837,288 9.961,289 23.229,290 4.705,291 14.397,292 3.983,293 2.033,294 1.228,295 0.564,296 0.343,297 0.25,298 3.967,300 1,301 1,302 1,303 561,304 2.828,307 239.549,311 204.164,314 1.446,315 16.396,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 53,327 254,328 4.549,329 3.267,330 6.665,331 4.096,332 3.123,333 4.492,334 0.916,335 10.706,336 3.052,337 4.521,338 3.111,339 6.502,340 4.024,341 3.066,342 4.445,343 0.172,344 10.175,345 2.931,346 3.831,347 2.734,348 5.706,349 3.483,350 2.528,351 3.261,353 7.661,354 2.41,355 3.623,356 2.384,357 5.279,358 3.199,359 2.252,360 3.016,362 6.641,363 2.136,364 3.427,365 2.158,366 5.062,367 2.961,368 2.028,369 2.811,371 5.802,372 1.885,373 3.358,374 2.028,375 4.974,376 2.893,377 1.942,378 2.687,380 5.751,381 1.841,382 3.118,383 1.618,384 4.446,385 2.618,386 1.618,387 2.427,389 4.132,390 1.618,391 2.804,392 1.543,393 3.943,394 2.398,395 1.431,396 1.933,398 3.431,399 1.38,400 2.693,401 1.257,402 3.709,403 2.244,404 1.249,405 1.754,407 2.774,408 1.242,409 2.451,410 1.058,411 3.577,412 1.954,413 1.006,414 1.43,415 2.565,416 0.951,417 2.134,418 0.767,419 3.255,420 1.695,421 0.71,422 0.994,423 1.709,424 0.698,425 1.497,426 0.38,427 2.865,428 1.108,429 0.167,430 0.212,431 0.419,432 0.157,433 1.03,434 -0.183,435 2.655,436 0.597,437 -0.355,438 -0.453,439 -0.954,440 -0.335,441 0.969,442 -0.305,443 2.506,444 0.489,445 -0.452,446 -0.59,448 -1.147,449 -0.422,450 0.882,451 -0.388,452 2.347,453 0.395,454 -0.543,455 -0.676,457 -1.334,458 -0.513,459 11.9,460 0.476,461 0.644,462 0.026,463 38.25,464 1.53,465 21.5,466 0.86,467 16.75,468 0.67,469 16.068,470 0.643,471 25.3,472 0.588,473 27.032,474 1.081,475 7.622,476 0.305,477 4.492,478 0.18,479 0.109,481 0.37,485 1.106,486 1.22,487 0.789,488 0.914,489 1.274,490 0.828,491 0.785,492 0.958,493 0.76,494 0.866,495 0.487,496 0.82,497 0.989,498 0.994,499 0.982,500 0.986,501 0.822,502 0.983,503 0.829,504 1.17,505 1.019,506 1.183,507 0.637,508 1.137,509 1.1,510 1.063,511 1.224,512 1.18,513 1.111,514 1.212,515 0.797,516 0.781,517 1.059,518 1,519 0.938,520 1.053,521 0.642,522 0.912,523 0.73,524 0.872,525 0.515,526 0.824,527 1.345,528 0.878,529 1.134,530 0.9,531 1.451,532 0.972,533 5,534 0.103,535 2.889,536 2,537 1.773,538 0.563,539 0.486,540 0.252,541 0.254,542 0.177,543 7368,544 18742,545 2.13,546 41.9,548 14,551 4,555 1.679,556 2,557 3.309,558 1.736,559 1,560 1,564 62.05,565 1.443,566 3.393,567 4.198,568 4.862,569 5.083,570 5.176,571 2.713,572 4.484,573 4.621,574 3.439,575 1031.78,576 7.981,577 12321.9,579 1,581 1,582 233.329,583 1.388,584 4.579,585 0.179,586 0.006,587 0.072,588 0.048,589 0.048,590 0.019,591 0.02,592 0.01,593 0.011,594 0.008,595 0.421,596 0.17,597 1,598 0.553,599 120.01,600 -0.15,601 -0.069,602 0.031,603 0.044,604 -0.294,605 0.059,606 0.212,607 0.14,608 0.12,609 0.095,610 0.249,611 0.095,612 0.051,613 0.082,614 -0.076,615 -0.035,616 0.003,617 -0.066,618 0.051,619 -0.181,620 -0.083,621 -0.194,622 0.155,623 -0.164,624 -0.155,625 -0.091,626 -0.258,627 -0.202,628 -0.175,629 -0.236,630 0.073,631 0.11,632 -0.033,633 0.009,634 -0.087,635 -0.02,636 0.128,637 -0.05,638 0.3,639 0.164,640 0.221,641 0.239,642 -0.228,643 0.148,644 -0.164,645 0.044,646 -0.287,647 -0.034,648 1.507,649 1.935,650 0.8,651 18.662,652 0.998,653 1.127,654 3.175,655 10.081,656 0.688,657 3.367,658 3.714,659 4.007,660 4.304,661 4.543,662 4.543,663 4.654,664 4.727,665 4.868,666 4.812,667 5.945,668 0.658,669 330.43,670 3.367,671 4.92,672 5.784,673 6.676,674 7.553,675 8.447,676 9.329,677 10.221,678 11.105,679 11.997,680 14,684 2,686 1,690 3,694 4,695 9,696 3,700 4,702 22,711 2,714 1,718 43,719 22,720 2,721 28,723 46,724 19,725 17,726 3,727 7,729 4,730 6,741 17,742 2,753 1,754 1,757 18,758 6,759 4,760 6,764 6,769 0.5,775 1,776 1,781 4,785 2,802 2,806 1,810 25,811 2,816 1,821 1,836 12.5,837 7.967,838 5.389,839 2.358,840 4.503,841 1.597,842 1.049,843 3.864,844 12.049,845 3.689,846 4.382,847 5.05,848 5.705,849 6.314,850 6.579,851 6.967,852 7.333,853 7.751,854 7.748,855 0.857,856 42,857 9.159,859 3.892,860 7.653,861 17.523,863 14.402,865 2.153,866 53.833,869 1,870 164.795,871 114.963,872 119.275,877 114.963,878 164.795,879 119.275,880 8.396,881 2.106,882 151.081,883 50.357,884 18.072,885 4.227,886 164.795,888 164.795,889 234.238,893 164.795,897 11.05,898 172.832,899 50.357,901 164.795,902 119.275,903 114.963,906 164.795,907 21.28,908 96.807,910 116.151,911 164.795,912 119.275,913 114.963,915 0.587,916 0.35,917 0.2,918 0.11,919 21,920 9,921 0.065,922 3,923 2,924 1.2,925 3.701,926 214.055,927 0.2,928 20,929 112.096,933 15.609,934 6.188,935 2.945,936 3.662,937 119.275,938 18.454,939 12.77,943 2.508,945 65.794,946 399.034,947 39,956 42.912,957 48.481,958 0.266,959 0.625,960 0.774,961 0.896,962 0.937,963 0.954,964 4.916,965 1.431,966 5.778,967 4.132,968 4.394,969 5.069,970 0.918,971 6.608,972 4.317,973 6.155,974 1.249,975 7.347,976 3.431,977 4.007,978 4.956,979 0.325,980 7.526,981 3.876,982 7.481,983 1.006,984 9.015,985 2.774,986 6.004,987 7.4,988 0.671,989 10.649,990 5.854,991 8.845,992 0.71,993 10.742,994 2.565,995 6.415,996 8.115,997 0.393,998 12.395,999 6.216,1000 10.24,1001 0.167,1002 12.507,1003 1.709,1004 7.898,1005 10.03,1006 0.533,1007 15.033,1008 7.681,1009 11.658,1010 -0.355,1011 14.299,1012 0.419,1013 8.691,1014 11.155,1015 0.384,1016 17.128,1017 8.434,1018 13.095,1019 -0.452,1020 16.11,1021 -0.954,1022 9.961,1023 12.838,1024 0.438,1025 19.591,1026 9.683,1027 3.123,1028 -0.543,1029 17.936,1030 -1.147,1031 10.937,1032 14.164,1033 0.351,1034 21.834,1035 10.624,1036 3.066,1037 10.706,1038 19.773,1039 -1.334,1040 12.118,1041 15.743,1042 0.366,1043 24.231,1044 11.782,1045 2.528,1046 10.175,1047 21.62,1048 4.492,1049 13.178,1050 17.163,1051 0.312,1052 26.537,1053 12.81,1054 2.252,1055 7.661,1056 23.474,1057 4.445,1058 14.325,1059 18.696,1060 0.309,1061 28.908,1062 13.931,1063 2.028,1064 6.641,1065 25.334,1066 3.261,1067 15.422,1068 20.158,1069 0.273,1070 31.241,1071 14.998,1072 1.942,1073 5.802,1074 27.199,1075 3.016,1076 16.557,1077 21.671,1078 0.262,1079 33.602,1080 16.106,1081 1.618,1082 5.751,1083 29.067,1084 2.811,1085 17.672,1086 23.153,1087 0.236,1088 35.947,1089 17.192,1090 6914,1091 11167,1092 18.898,1093 29.603,1094 42.583,1095 42.311,1096 43.395,1097 42.291,1098 42.243,1099 58.92,1100 2.178,1101 123.532,1102 40.602,1103 5.379,1104 5.267,1105 6.354,1106 5.169,1107 5.123,1108 7.492,1109 1.605,1110 17.832,1111 5.052,1112 10.832,1113 1.521,1114 1.511,1115 1.55,1116 1.51,1117 1.509,1118 2.104,1119 0.078,1120 4.412,1121 1.45,1122 4.106,1123 4.137,1124 4.066,1125 4.049,1126 5.323,1127 4.048,1128 4.025,1129 4.061,1130 3.997,1131 3.907,1132 4.988,1133 3.926,1134 3.597,1135 3.666,1136 3.514,1137 3.437,1138 4.904,1139 3.444,1140 3.448,1141 3.502,1142 3.358,1143 3.326,1144 4.771,1145 3.331,1146 3.305,1147 3.384,1148 3.175,1149 3.115,1150 4.364,1151 3.121,1152 3.115,1153 3.229,1154 3.007,1155 2.869,1156 4.233,1157 2.873,1158 2.966,1159 3.024,1160 2.84,1161 2.812,1162 4.054,1163 2.83,1164 2.913,1165 3.017,1166 2.7,1167 2.697,1168 3.904,1169 2.685,1170 0.162,1171 0.117,1172 0.238,1173 0.146,1174 0.112,1175 4.549,1176 0.16,1177 3.267,1178 0.033,1179 6.665,1180 0.382,1181 4.096,1182 0.109,1183 3.123,1184 4.492,1185 0.916,1186 10.706,1187 3.052,1188 2.075,1189 2.055,1190 2.157,1191 2.149,1192 1.304,1193 2.15,1194 1.963,1195 1.928,1196 2.022,1197 2.103,1198 1.117,1199 2.084,1200 1.554,1201 1.497,1202 1.742,1203 1.762,1204 0.854,1205 1.76,1206 1.436,1207 1.384,1208 1.624,1209 1.591,1210 0.672,1211 1.601,1212 1.273,1213 1.196,1214 1.515,1215 1.506,1216 0.544,1217 1.525,1218 1.01,1219 0.938,1220 1.296,1221 1.383,1222 0.333,1223 1.364,1224 0.987,1225 0.906,1226 1.269,1227 1.191,1228 0.298,1229 1.233,1230 0.92,1231 0.819,1232 1.221,1233 1.132,1234 0.061,1235 1.165,1236 4.043,1238 5.38,1240 6.925,1242 8.567,1244 10.259,1246 2.052,1250 11.569,1252 0.647,1257 2.171,1262 28.289,1263 62.05,1264 145.906,1265 180.535,1266 209.065,1267 218.574,1268 222.574,1269 29.465,1270 7.546,1271 93.95,1272 93.95,1273 24,1274 12.526,1275 4.524,1276 3.585,1277 35.992,1278 91,1279 83,1280 0.197,1281 174.943,1282 283.82,1283 418.621,1284 20282,1286 17.389,1287 0.696,1288 0.554,1289 17.389,1290 13.847,1291 12.114,1292 0.433,1293 0.285,1294 7.894,1295 11.749,1296 7.679,1297 6.399,1298 12.114,1299 7.992,1300 11.173,1301 0.279,1302 0.15,1303 11.173,1304 5.992,1305 9.433,1306 0.175,1307 0.078,1308 9.433,1309 4.221,1310 8.381,1311 0.115,1312 0.042,1313 8.381,1314 3.053,1315 6.86,1316 0.074,1317 0.022,1318 6.86,1319 2.076,1320 0.307,1321 75.147,1322 0.23,1323 24.113,1324 0.543,1325 136,1326 349.205,1327 146.519,1328 353.837,1329 501.52,1330 332,1331 162,1332 389.606,1333 172.935,1334 400.658,1335 586.38,1336 377,1337 8.137}
{0 CHEMBL54618,1 1.649,2 9.381,3 2.718,4 7.388,5 85.171,6 8.846,7 0.739,8 3.66,9 3.796,10 3.36,11 3.208,12 4.888,13 3.21,14 4.1,15 4.26,16 3.74,17 3.568,18 5.352,19 3.547,20 4.323,21 4.525,22 3.753,23 3.649,24 5.506,25 3.602,26 4.273,27 4.489,28 3.598,29 3.541,30 5.423,31 3.465,32 4.236,33 4.477,34 3.358,35 3.442,36 5.308,37 3.34,38 4.143,39 4.408,40 3.212,41 3.315,42 5.183,43 3.201,44 3.914,45 4.161,46 3.229,47 3.189,48 4.945,49 3.099,50 3.735,51 3.935,52 3.182,53 3.102,54 4.902,55 3.02,56 0.086,57 0.566,58 5.326,59 2.337,60 11.852,61 2.864,62 0.174,63 0.841,64 9.468,65 4.191,66 18.514,67 5.377,68 0.327,69 0.958,70 16.118,71 5.01,72 30.74,73 6.424,74 0.266,75 0.871,76 15.262,77 5.141,78 29.141,79 6.895,80 0.27,81 0.801,82 16.561,83 5.059,84 34.546,85 6.815,86 0.328,87 0.699,88 16.74,89 4.682,90 34.832,91 6.37,92 0.193,93 0.563,94 12.038,95 3.877,96 20.772,97 5.384,98 0.132,99 0.491,100 9.511,101 3.284,102 16.071,103 4.283,104 10,105 32,106 0.301,107 0.642,108 0.792,109 0.897,110 0.897,111 0.897,112 3.103,113 0.871,114 -3.86,115 -3.82,116 -3.63,119 41.2,125 1,139 6,141 2,143 3,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 2,172 3,173 3,175 2,178 5,181 2,182 2,184 1,185 2,187 2,189 2,193 1,195 1,196 1,197 1,198 5,200 2,201 1,204 2,205 1,207 3,209 1,210 1,212 2,215 2,218 2,221 1,224 2,225 1,228 1,229 3,234 2,241 3,246 4,250 1,251 2,253 1,254 2,256 2,260 2,265 1,270 1,273 537,274 14.033,275 14.033,276 14.033,277 14.033,278 14.033,279 11.92,280 17.638,281 8.275,282 14.459,283 11.371,284 11.371,285 11.371,286 11.371,287 11.371,288 8.227,289 25.255,290 3.979,291 12.137,292 3.439,293 1.57,294 0.75,295 0.176,296 0.176,297 0.176,298 3.784,299 1,300 1,301 1,302 1,303 423,304 2.345,307 171.008,311 88.596,314 1.506,315 18.828,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 45.333,327 197,328 4.541,329 3.133,330 6.502,331 4.031,332 3.079,333 4.491,334 0.657,335 10.175,336 2.933,337 4.046,338 2.991,339 5.521,340 3.61,341 2.664,342 3.649,344 7.487,345 2.51,346 3.767,347 2.684,348 5.294,349 3.342,350 2.398,351 3.231,353 6.835,354 2.264,355 3.43,356 2.351,357 5.062,358 2.978,359 2.061,360 2.811,362 5.804,363 1.888,364 3.391,365 2.165,366 4.971,367 2.924,368 1.992,369 2.71,371 5.761,372 1.855,373 3.269,374 2.033,375 4.734,376 2.816,377 1.902,378 2.528,380 5.263,381 1.658,382 2.673,383 1.312,384 3.71,385 2.184,386 1.209,387 1.752,389 2.629,390 1.151,391 2.454,392 1.059,393 3.49,394 1.959,395 1.008,396 1.434,398 2.565,399 0.956,400 1.909,401 0.901,402 3.238,403 1.63,404 0.692,405 0.814,407 1.662,408 0.647,409 1.368,410 0.215,411 2.738,412 0.954,413 0.022,414 0.029,415 0.056,416 0.021,417 0.981,418 0.171,419 2.567,420 0.504,421 -0.392,422 -0.498,423 -0.879,424 -0.255,425 0.932,426 -0.286,427 2.428,428 0.441,429 -0.442,430 -0.569,431 -1.144,432 -0.4,433 0.731,434 -0.357,435 2.105,436 0.304,437 -0.592,438 -0.72,439 -1.596,440 -0.539,441 0.559,442 -0.715,443 2,444 0.132,445 -0.815,446 -1.087,448 -2.155,449 -0.769,450 0.417,451 -0.794,452 1.671,453 0.05,454 -0.907,455 -1.215,457 -2.499,458 -0.865,459 10.114,460 0.482,461 0.558,462 0.027,463 31.75,464 1.512,465 17.5,466 0.833,467 14.25,468 0.679,469 12.528,470 0.597,471 21.686,472 0.638,473 20.654,474 0.984,475 6.308,476 0.3,477 3.806,478 0.181,479 0.15,481 0.346,485 1.036,486 1.218,487 0.61,488 0.761,489 1.197,490 0.725,491 0.648,492 1.142,493 0.625,494 0.941,495 0.479,496 0.892,497 1.132,498 0.975,499 1.04,500 0.951,501 0.976,502 0.976,503 0.845,504 1.201,505 0.918,506 1.184,507 0.746,508 1.164,509 1.077,510 1.064,511 1.07,512 1.116,513 1.177,514 1.152,515 1.068,516 0.637,517 1.076,518 0.86,519 1.147,520 0.969,521 0.731,522 0.857,523 0.697,524 0.811,525 0.687,526 0.824,527 0.935,528 1.075,529 1.058,530 1.081,531 0.94,532 1.051,533 5,534 0.07,535 2,536 1.313,537 1.44,538 0.354,539 0.264,540 0.28,541 0.135,542 0.161,543 4587,544 14927,545 2.074,546 38.2,548 8,551 5,555 1.627,556 1.938,557 3.213,558 2.845,560 1,562 1,564 56.055,565 1.649,566 3.517,567 4.337,568 4.911,569 4.911,570 4.911,571 2.707,572 4.011,573 4.366,574 3.36,575 705.536,576 7.455,577 7558.98,578 1,579 1,580 1,581 1,582 172.974,583 1.418,584 4.322,585 0.217,586 0.007,587 0.063,588 0.042,589 0.058,590 0.018,591 0.016,592 0.016,593 0.008,594 0.012,595 0.457,596 0.33,597 1,598 0.61,599 95.599,600 -0.238,601 -0.031,602 -0.017,603 0.11,604 -0.344,605 0.096,606 0.168,607 -0.029,608 0.07,609 -0.031,610 0.231,611 -0.014,612 -0.104,613 0.077,614 -0.138,615 -0.035,616 -0.103,617 -0.081,618 0.051,619 -0.217,620 -0.06,621 -0.237,622 0.124,623 -0.209,624 -0.158,625 -0.123,626 -0.162,627 -0.154,628 -0.173,629 -0.165,630 -0.08,631 0.28,632 -0.097,633 0.114,634 -0.18,635 0.041,636 0.095,637 0.047,638 0.214,639 0.199,640 0.099,641 0.223,642 -0.017,643 -0.116,644 -0.015,645 -0.062,646 0.036,647 -0.057,648 1.522,649 1.829,650 0.762,651 15.973,652 1.014,653 1.135,654 2.63,655 6.918,656 0.704,657 3.178,658 3.497,659 3.714,660 3.97,661 4.19,662 4.159,663 4.19,664 4.263,665 4.382,666 4.344,667 5.616,668 0.678,669 300.78,670 3.178,671 4.71,672 5.541,673 6.412,674 7.259,675 8.132,676 8.986,677 9.86,678 10.719,679 11.593,680 17.6,684 2,685 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,712 1,717 1,718 34,719 17,720 1,721 23,723 36,724 14,725 13,726 2,727 4,729 3,730 4,731 1,741 13,742 1,753 1,754 1,757 13,758 6,759 5,760 7,761 1,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,807 1,810 21,811 2,816 1,817 1,828 1,836 10.833,837 5.91,838 4.556,839 1.773,840 3.308,841 1.486,842 1.03,843 3.773,844 10.119,845 3.481,846 4.143,847 4.734,848 5.345,849 5.929,850 6.132,851 6.436,852 6.793,853 7.209,854 7.228,855 1,856 31,857 7.657,859 3.219,860 7.823,861 14.339,863 11.465,865 2.323,866 48.778,870 94.169,871 76.493,872 134.162,873 39.149,877 76.493,878 133.317,879 134.162,881 2.106,882 122.652,883 68.367,884 13.302,885 4.227,886 94.169,887 39.149,888 94.169,889 210.654,891 39.149,893 94.169,897 11.05,898 131.237,899 107.516,901 94.169,902 134.162,903 115.641,906 94.169,907 19.635,908 56.857,909 18.011,910 155.3,911 94.169,912 134.162,913 115.641,915 0.584,916 0.328,917 0.179,918 0.099,919 16,920 7,921 0.083,922 3,923 1,924 1.125,925 3.39,926 157.605,927 0.125,928 16,929 92.239,933 13.86,934 5.716,935 3.149,936 1.182,937 134.162,938 11.18,939 12.463,943 2.849,945 83.805,946 343.972,947 31.5,956 34.469,957 38.595,958 0.324,959 0.691,960 0.853,961 0.965,962 0.965,963 0.965,964 4.694,965 1.008,966 5.525,967 2.629,968 4.174,969 4.828,970 0.623,971 6.297,972 4.049,973 5.923,974 0.692,975 7.059,976 2.565,977 3.761,978 4.691,980 7.081,981 3.533,982 7.235,983 0.022,984 8.685,985 1.662,986 5.733,987 7.104,988 0.317,989 10.155,990 5.503,991 8.581,992 -0.392,993 10.363,994 0.056,995 6.066,996 7.744,998 11.748,999 5.747,1000 9.953,1001 -0.442,1002 12.077,1003 -0.879,1004 7.544,1005 9.656,1006 0.149,1007 14.354,1008 7.217,1009 11.346,1010 -0.592,1011 13.816,1012 -1.144,1013 8.252,1014 10.703,1016 16.337,1017 7.852,1018 12.757,1019 -0.815,1020 15.575,1021 -1.596,1022 9.515,1023 12.388,1024 0.067,1025 18.767,1026 9.095,1027 3.079,1028 -0.907,1029 17.35,1030 -2.155,1031 10.422,1032 13.657,1034 20.936,1035 9.939,1036 2.664,1037 10.175,1038 19.141,1039 -2.499,1040 11.59,1041 15.235,1042 0.03,1043 23.298,1044 11.078,1045 2.398,1046 7.487,1047 20.944,1048 4.491,1049 12.599,1050 16.619,1052 25.551,1053 12.031,1054 2.061,1055 6.835,1056 22.757,1057 3.649,1058 13.729,1059 18.15,1060 0.013,1061 27.886,1062 13.124,1063 1.992,1064 5.804,1065 24.58,1066 3.231,1067 14.79,1068 19.593,1070 30.176,1071 14.134,1072 1.902,1073 5.761,1074 26.411,1075 2.811,1076 15.907,1077 21.104,1078 0.006,1079 32.502,1080 15.209,1081 1.209,1082 5.263,1083 28.249,1084 2.71,1085 16.995,1086 22.575,1088 34.808,1089 16.248,1090 4446,1091 8126,1092 15.315,1093 23.938,1094 34.305,1095 34.36,1096 34.957,1097 34.247,1098 34.056,1099 46.897,1100 1.315,1101 96.473,1102 31.765,1103 5.363,1104 5.133,1105 6.063,1106 5.104,1107 5.079,1108 7.491,1109 1.315,1110 17.069,1111 4.933,1112 9.883,1113 1.492,1114 1.494,1115 1.52,1116 1.489,1117 1.481,1118 2.039,1119 0.057,1120 4.194,1121 1.381,1122 4.053,1123 4.097,1124 4.039,1125 3.926,1126 5.323,1127 3.944,1128 3.895,1129 3.926,1130 3.977,1131 3.828,1132 4.989,1133 3.824,1134 3.525,1135 3.593,1136 3.489,1137 3.34,1138 4.949,1139 3.36,1140 3.196,1141 3.28,1142 3.319,1143 2.993,1144 4.775,1145 3.002,1146 3.111,1147 3.228,1148 3.028,1149 2.813,1150 4.395,1151 2.848,1152 2.879,1153 2.922,1154 2.985,1155 2.79,1156 4.215,1157 2.767,1158 2.811,1159 2.883,1160 2.687,1161 2.669,1162 3.939,1163 2.664,1164 2.616,1165 2.739,1166 2.433,1167 2.314,1168 3.889,1169 2.327,1170 0.197,1171 0.136,1172 0.283,1173 0.175,1174 0.134,1175 4.541,1176 0.195,1177 3.133,1178 0.029,1179 6.502,1180 0.442,1181 4.031,1182 0.128,1183 3.079,1184 4.491,1185 0.657,1186 10.175,1187 2.933,1188 1.972,1189 1.936,1190 2.036,1191 2.122,1192 1.135,1193 2.097,1194 1.875,1195 1.849,1196 1.961,1197 1.969,1198 1.043,1199 1.976,1200 1.459,1201 1.398,1202 1.616,1203 1.682,1204 0.74,1205 1.671,1206 1.146,1207 1.07,1208 1.387,1209 1.403,1210 0.336,1211 1.408,1212 0.998,1213 0.896,1214 1.272,1215 1.383,1216 0.182,1217 1.364,1218 0.868,1219 0.824,1220 1.112,1221 1.027,1222 0.12,1223 1.065,1224 0.798,1225 0.739,1226 1.019,1227 0.985,1229 1.009,1230 0.557,1231 0.438,1232 0.918,1233 0.909,1235 0.926,1236 3.85,1238 5.165,1240 6.673,1242 8.276,1244 9.927,1247 5.94,1250 11.378,1252 0.542,1253 3.244,1262 23.063,1263 56.055,1264 119.59,1265 147.464,1266 166.974,1267 166.974,1268 166.974,1269 26.059,1270 6.811,1271 102.74,1272 102.74,1273 18,1274 12.136,1275 4.17,1276 3.248,1277 32.372,1278 71,1279 60,1280 0.226,1281 148.562,1282 241.07,1283 354.252,1284 7763,1285 2.9,1286 14.82,1287 0.706,1288 0.562,1289 15.32,1290 11.801,1291 10.114,1292 0.44,1293 0.29,1294 6.243,1295 9.475,1296 6.094,1297 5.049,1298 10.403,1299 6.675,1300 9.372,1301 0.293,1302 0.154,1303 9.78,1304 4.938,1305 7.395,1306 0.185,1307 0.079,1308 7.657,1309 3.178,1310 6.327,1311 0.122,1312 0.042,1313 6.595,1314 2.175,1315 5.022,1316 0.077,1317 0.022,1318 5.199,1319 1.419,1320 0.355,1321 66.117,1322 0.256,1323 20.964,1324 0.613,1325 110,1326 322.096,1327 135.677,1328 352.797,1329 478.31,1330 328,1331 127,1332 339.694,1333 146.695,1334 355.759,1335 516.78,1336 335,1337 6.854}
{0 CHEMBL54659,1 1.753,2 10.926,3 2.891,4 8.357,5 109.136,6 7.998,7 0.414,8 4.008,9 4.142,10 3.622,11 3.443,12 5.156,13 3.449,14 4.534,15 4.717,16 3.984,17 3.802,18 5.658,19 3.791,20 4.696,21 4.905,22 4.032,23 3.918,24 5.783,25 3.877,26 4.683,27 4.891,28 4.025,29 3.915,30 5.832,31 3.867,32 4.782,33 5.013,34 3.961,35 3.931,36 5.879,37 3.876,38 4.79,39 5.041,40 3.922,41 3.951,42 5.815,43 3.834,44 4.764,45 5.044,46 3.912,47 3.82,48 5.783,49 3.69,50 4.448,51 4.658,52 3.801,53 3.607,54 5.569,55 3.529,56 0.151,57 0.745,58 9.774,59 3.872,60 15.197,61 5.256,62 0.539,63 1.071,64 20.304,65 6.504,66 36.326,67 8.871,68 0.641,69 1.21,70 26.499,71 6.761,72 43.899,73 10.1,74 0.486,75 1.248,76 25.316,77 7.002,78 45.613,79 10.733,80 0.691,81 1.306,82 27.439,83 6.617,84 55.067,85 10.623,86 0.473,87 1.237,88 28.828,89 8.524,90 48.992,91 12.955,92 0.673,93 0.988,94 37.97,95 8.659,96 65.705,97 13.152,98 0.601,99 0.783,100 27.46,101 6.531,102 44.436,103 8.762,104 27,105 40,106 0.299,107 0.658,108 0.825,109 0.856,110 0.856,111 0.856,112 3.34,113 0.924,114 -3.94,115 -3.89,116 -3.69,119 34.7,120 1,121 1,124 1,125 3,128 1,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 3,170 4,172 3,173 3,175 1,178 6,180 1,181 2,182 7,187 1,189 6,191 1,192 2,193 11,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 2,207 8,212 4,215 4,218 4,220 2,221 3,223 1,224 1,226 2,229 1,231 2,233 2,234 6,236 1,237 1,239 2,241 1,243 2,245 2,246 8,248 2,249 2,254 1,260 5,262 1,263 1,265 1,270 1,273 1140,274 18.024,275 18.024,276 18.024,277 18.024,278 18.024,279 16.351,280 24.051,281 10.609,282 18.532,283 14.243,284 14.243,285 14.243,286 14.243,287 14.243,288 11.634,289 28.314,290 4.961,291 15.133,292 3.862,293 1.757,294 0.781,295 0.602,296 0.602,297 0.602,298 4.016,299 1,301 1,302 1,303 622,304 3.317,306 84.687,307 187.357,314 1.717,315 28.943,318 1,319 0.83,320 1,321 1,322 1,323 1,324 1,325 0.98,326 59.833,327 295,328 4.535,329 3.279,330 6.77,331 4.146,332 3.171,333 4.257,334 1.392,335 11.076,336 3.094,337 4.183,338 3.205,339 6.048,340 3.73,341 2.797,342 3.814,343 0.532,344 8.673,345 2.596,346 3.678,347 3.109,348 5.491,349 3.586,350 2.627,351 3.012,352 0.4,353 7.407,354 2.508,355 3.607,356 2.488,357 5.304,358 3.197,359 2.266,360 2.7,362 6.62,363 2.108,364 3.305,365 2.385,366 5.038,367 3.068,368 2.131,369 2.549,371 5.702,372 1.979,373 3.288,374 2.226,375 4.825,376 2.932,377 1.985,378 2.399,380 5.523,381 1.875,382 3.097,383 1.963,384 4.755,385 2.677,386 1.731,387 2.284,389 4.929,390 1.629,391 2.867,392 1.804,393 4.22,394 2.443,395 1.52,396 1.965,398 3.921,399 1.354,400 2.321,401 1.528,402 3.43,403 2.105,404 1.157,405 1.224,407 2.549,408 1.086,409 2.029,410 1.478,411 3.328,412 1.583,413 0.628,414 0.846,415 1.423,416 0.583,417 1.747,418 0.839,419 3.09,420 1.532,421 0.618,422 0.64,423 1.372,424 0.539,425 1.618,426 0.667,427 3,428 1.477,429 0.552,430 0.618,431 1.096,432 0.525,433 1.386,434 0.406,435 2.749,436 1.044,437 0.132,438 0.158,439 0.259,440 0.112,441 1.08,442 0.03,443 2.536,444 0.682,445 -0.221,446 -0.26,448 -0.565,449 -0.179,450 0.825,451 -0.115,452 2.439,453 0.494,454 -0.44,455 -0.473,457 -1.092,458 -0.403,459 12.681,460 0.47,461 0.698,462 0.026,463 33,464 1.222,465 15,466 0.556,467 18,468 0.667,469 23.388,470 0.866,471 30.519,472 0.623,473 25.518,474 0.945,475 6.583,476 0.244,477 6.391,478 0.237,479 0.198,481 0.347,485 0.876,486 1.381,487 0.664,488 1.107,489 1.053,490 0.971,491 1.067,492 0.981,493 0.7,494 0.823,495 0.697,496 0.804,497 1.223,498 1.097,499 0.967,500 0.836,501 1.08,502 0.881,503 0.754,504 1.363,505 0.946,506 1.183,507 0.765,508 1.103,509 1.144,510 1.109,511 0.916,512 0.873,513 1.271,514 0.986,515 0.704,516 1.147,517 0.912,518 1.09,519 0.975,520 1.134,521 0.767,522 0.799,523 1.186,524 0.999,525 0.84,526 0.891,527 1.122,528 0.878,529 1.548,530 1.26,531 1.114,532 1.107,533 6,534 0.15,535 2.889,536 2.41,537 1.613,538 1.007,539 0.664,540 0.383,541 0.325,542 0.152,543 8692,544 26351,545 2.014,546 44.9,547 3,548 12,549 1,551 4,552 2,555 1.701,556 1.862,557 3.408,558 1.808,559 1,560 1,564 85.875,565 1.753,566 3.857,567 4.834,568 5.012,569 5.012,570 5.012,571 2.908,572 4.607,573 4.726,574 3.599,575 1263.32,576 8.207,577 16421.2,579 1,581 1,582 275.121,583 1.487,584 4.672,585 0.207,586 0.009,587 0.072,588 0.06,589 0.04,590 0.027,591 0.021,592 0.013,593 0.012,594 0.006,595 0.468,596 0.17,597 1,598 0.803,599 134.421,600 -0.037,601 -0.054,602 0.025,603 -0.055,604 -0.175,605 -0.002,606 0.062,607 0.133,608 0.112,609 0.171,610 0.159,611 0.149,612 -0.162,613 -0.015,614 -0.033,615 0.137,616 -0.134,617 0.063,618 0.059,619 -0.231,620 -0.043,621 -0.19,622 0.143,623 -0.133,624 -0.187,625 -0.021,626 -0.121,627 0.024,628 -0.227,629 -0.073,630 -0.012,631 -0.12,632 -0.008,633 -0.104,634 -0.081,635 -0.133,636 0.136,637 0.042,638 0.154,639 0.047,640 0.167,641 0.152,642 0.096,643 0.072,644 -0.077,645 -0.156,646 0.011,647 -0.095,648 1.63,649 2.161,650 0.63,651 24.807,652 1.016,653 1.146,654 2.71,655 7.346,656 0.651,657 3.401,658 3.714,659 3.951,660 4.205,661 4.331,662 4.382,663 4.419,664 4.431,665 4.477,666 4.443,667 6.583,668 0.625,669 391.91,670 3.401,671 4.934,672 5.771,673 6.645,674 7.499,675 8.378,676 9.239,677 10.12,678 10.986,679 11.869,680 14.3,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 49,719 13,720 1,721 29,723 51,724 17,725 10,726 3,727 3,729 3,730 3,731 1,734 1,739 1,741 10,742 7,744 1,750 2,754 1,757 22,758 9,759 4,760 10,761 1,764 7,769 1,770 2,776 1,780 1,781 2,801 2,802 3,806 2,807 1,810 27,811 2,816 4,818 2,820 1,821 1,828 1,829 4.1,833 2,836 14.5,837 9.226,838 6.028,839 2.846,840 2.831,841 1.4,842 0.958,843 6.443,844 9.913,845 3.611,846 4.174,847 4.723,848 5.283,849 5.797,850 6.085,851 6.417,852 6.747,853 7.068,854 7.281,855 1,856 40,857 9.909,859 4.096,860 7.8,861 18.668,863 14.685,865 2.3,866 62.111,869 1,870 211.88,871 79.447,872 135.571,873 39.149,874 22,877 79.447,878 273.028,879 135.571,880 17.222,881 16.827,882 94.583,883 55.571,884 15.385,885 49.202,886 200.109,887 39.149,888 211.88,889 215.018,890 22,891 39.149,893 211.88,895 22,896 0.36,897 30.308,898 117.576,899 105.923,901 211.88,902 157.57,903 118.596,906 212.239,907 33.437,908 48.652,910 193.717,911 211.88,912 157.57,913 118.596,915 0.578,916 0.338,917 0.186,918 0.095,919 18,920 9,921 0.118,922 6,924 1,925 3.837,926 222.874,928 17,929 124.382,933 19.766,934 8.801,935 4.844,937 157.57,938 5.381,939 8.34,943 3.73,945 65.794,946 488.046,947 36,953 8.402,956 49.76,957 56.173,958 0.312,959 0.687,960 0.861,961 0.893,962 0.893,963 0.893,964 4.852,965 1.52,966 5.759,967 4.929,968 4.394,969 4.86,970 1.751,971 6.555,972 4.281,973 6.046,974 1.157,975 7.311,976 3.921,977 4.007,978 4.677,980 7.438,981 3.835,982 7.345,983 0.628,984 8.961,985 2.549,986 5.974,987 7.011,988 2.164,989 10.532,990 5.777,991 8.679,992 0.618,993 10.67,994 1.423,995 6.382,996 7.636,998 12.264,999 6.137,1000 10.044,1001 0.552,1002 12.416,1003 1.372,1004 7.826,1005 9.473,1006 2.746,1007 14.892,1008 7.562,1009 11.433,1010 0.132,1011 14.191,1012 1.096,1013 8.608,1014 10.491,1016 17.004,1017 8.309,1018 12.84,1019 -0.221,1020 15.988,1021 0.259,1022 9.85,1023 12.117,1024 3.372,1025 19.475,1026 9.532,1027 3.171,1028 -0.44,1029 17.803,1030 -0.565,1031 10.813,1032 13.336,1034 21.754,1035 10.469,1036 2.797,1037 11.076,1038 19.632,1039 -1.092,1040 11.978,1041 14.862,1042 4.015,1043 24.173,1044 11.615,1045 2.627,1046 8.673,1047 21.474,1048 4.257,1049 13.029,1050 16.185,1052 26.522,1053 12.645,1054 2.266,1055 7.407,1056 23.326,1057 3.814,1058 14.167,1059 17.664,1060 4.667,1061 28.926,1062 13.765,1063 2.131,1064 6.62,1065 25.188,1066 3.012,1067 15.261,1068 19.04,1070 31.305,1071 14.84,1072 1.985,1073 5.702,1074 27.057,1075 2.7,1076 16.393,1077 20.496,1078 5.323,1079 33.705,1080 15.954,1081 1.731,1082 5.523,1083 28.932,1084 2.549,1085 17.509,1086 21.901,1088 36.097,1089 17.052,1090 8510,1091 14973,1092 18.898,1093 31.898,1094 43.049,1095 43.87,1096 44.39,1097 42.743,1098 42.631,1099 52.934,1100 4.646,1101 121.1,1102 39.971,1103 5.473,1104 5.279,1105 6.385,1106 5.216,1107 5.171,1108 7.257,1109 2.783,1110 17.964,1111 5.094,1112 14.878,1113 1.484,1114 1.513,1115 1.531,1116 1.474,1117 1.47,1118 1.825,1119 0.16,1120 4.176,1121 1.378,1122 4.014,1123 4.048,1124 4.055,1125 3.935,1126 5.287,1127 3.939,1128 3.79,1129 3.84,1130 3.824,1131 3.629,1132 5.043,1133 3.644,1134 3.747,1135 3.78,1136 3.675,1137 3.505,1138 4.976,1139 3.538,1140 3.465,1141 3.549,1142 3.366,1143 3.198,1144 4.834,1145 3.206,1146 3.392,1147 3.485,1148 3.282,1149 3.181,1150 4.704,1151 3.182,1152 3.114,1153 3.219,1154 3.204,1155 2.897,1156 4.465,1157 2.914,1158 3.005,1159 3.095,1160 2.935,1161 2.802,1162 4.224,1163 2.805,1164 2.948,1165 3.056,1166 2.873,1167 2.742,1168 3.965,1169 2.713,1170 0.156,1171 0.113,1172 0.233,1173 0.143,1174 0.109,1175 4.535,1176 0.147,1177 3.279,1178 0.048,1179 6.77,1180 0.382,1181 4.146,1182 0.107,1183 3.171,1184 4.257,1185 1.392,1186 11.076,1187 3.094,1188 1.957,1189 1.935,1190 2.023,1191 2.063,1192 1.189,1193 2.053,1194 1.708,1195 1.664,1196 1.853,1197 1.896,1198 1.019,1199 1.876,1200 1.545,1201 1.478,1202 1.777,1203 1.805,1204 1,1205 1.802,1206 1.399,1207 1.34,1208 1.691,1209 1.658,1210 0.958,1211 1.669,1212 1.381,1213 1.296,1214 1.614,1215 1.633,1216 0.599,1217 1.652,1218 1.138,1219 1.061,1220 1.481,1221 1.467,1222 0.59,1223 1.459,1224 1.012,1225 0.935,1226 1.267,1227 1.372,1228 0.183,1229 1.356,1230 0.929,1231 0.858,1232 1.151,1233 1.2,1234 0.129,1235 1.184,1236 4.078,1238 5.389,1239 2.398,1240 6.884,1241 4.443,1242 8.474,1243 6.26,1244 10.117,1246 3.761,1247 6.272,1250 11.778,1252 2.318,1254 10.79,1256 -0.297,1257 1.636,1262 30.621,1263 85.875,1264 189.008,1265 236.856,1266 245.611,1267 245.611,1268 245.611,1269 47.279,1270 7.082,1271 124.24,1272 124.24,1273 17,1274 12.406,1275 3.807,1276 3,1277 46.997,1278 106,1279 103,1280 0.215,1281 195.054,1282 335.09,1283 467.691,1284 11018,1285 2,1286 19.389,1287 0.718,1288 0.592,1289 19.889,1290 15.979,1291 12.974,1292 0.447,1293 0.308,1294 8.403,1295 11.98,1296 8.164,1297 6.758,1298 13.262,1299 8.931,1300 11.679,1301 0.292,1302 0.16,1303 12.05,1304 6.416,1305 9.393,1306 0.184,1307 0.085,1308 9.773,1309 4.328,1310 7.95,1311 0.12,1312 0.044,1313 8.185,1314 2.906,1315 5.747,1316 0.077,1317 0.024,1318 5.99,1319 1.791,1320 0.339,1321 85.832,1322 0.23,1323 26.04,1324 0.587,1325 138,1326 452.524,1327 172.455,1328 460.014,1329 618.13,1330 430,1331 160,1332 437.033,1333 190.752,1334 446.001,1335 650.78,1336 418,1337 6.301}
{0 CHEMBL54732,1 1.712,2 10,3 3.736,4 13.958,5 94.211,6 9.439,7 0.68,8 3.74,9 3.867,10 3.496,11 3.3,12 4.957,13 3.294,14 4.206,15 4.374,16 3.911,17 3.677,18 5.431,19 3.654,20 4.415,21 4.587,22 4.014,23 3.82,24 5.623,25 3.769,26 4.471,27 4.672,28 4.017,29 3.812,30 5.64,31 3.716,32 4.479,33 4.705,34 3.614,35 3.706,36 5.555,37 3.581,38 4.384,39 4.655,40 3.59,41 3.572,42 5.382,43 3.443,44 4.149,45 4.368,46 3.491,47 3.457,48 5.208,49 3.339,50 3.962,51 4.165,52 3.474,53 3.291,54 5.178,55 3.213,56 0.099,57 0.596,58 4.944,59 2.614,60 12.109,61 3.12,62 0.244,63 0.892,64 10.803,65 4.625,66 20.124,67 5.785,68 0.389,69 1.025,70 17.022,71 5.694,72 31.188,73 6.851,74 0.371,75 1.015,76 22.894,77 7,78 36.932,79 8.82,80 0.438,81 0.974,82 24.392,83 6.945,84 45.389,85 8.822,86 0.407,87 0.851,88 20.599,89 6.594,90 39.469,91 8.977,92 0.292,93 0.654,94 21.34,95 5.648,96 28.515,97 7.148,98 0.264,99 0.597,100 11.404,101 3.58,102 27.179,103 4.36,104 26,105 36,106 0.307,107 0.666,108 0.798,109 0.883,110 0.883,111 0.883,112 3.188,113 0.905,114 -4.35,115 -4.29,116 -4.04,119 40.5,124 1,125 1,139 5,141 3,143 3,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 3,172 3,173 3,178 4,181 3,182 6,184 1,185 1,189 3,193 2,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,207 3,209 1,210 1,212 2,215 1,218 2,220 2,221 3,223 1,224 1,229 4,241 3,246 3,248 1,249 1,251 1,254 1,256 1,260 6,265 3,268 1,270 3,273 668,274 15.033,275 15.033,276 15.033,277 15.033,278 15.033,279 12.892,280 18.086,281 8.636,282 15.611,283 12.316,284 12.316,285 12.316,286 12.316,287 12.316,288 9.126,289 22.743,290 4.112,291 13.38,292 3.498,293 1.502,294 0.767,295 0.291,296 0.291,297 0.291,298 3.864,299 2,300 1,301 1,302 1,303 490,304 2.828,307 193.255,311 100.605,314 1.391,315 21.885,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49.667,327 230,328 4.542,329 3.354,330 6.505,331 4.039,332 3.088,333 4.491,334 0.916,335 10.185,336 2.938,337 4.304,338 3.126,339 6.405,340 3.906,341 2.981,342 3.924,343 0.172,344 9.721,345 2.733,346 3.793,347 2.868,348 5.399,349 3.388,350 2.456,351 3.244,353 7.09,354 2.286,355 3.554,356 2.637,357 5.102,358 3.111,359 2.219,360 2.872,362 6.164,363 1.939,364 3.427,365 2.306,366 5.061,367 2.959,368 2.032,369 2.811,371 5.8,372 1.88,373 3.361,374 2.138,375 4.965,376 2.891,377 1.956,378 2.681,380 5.737,381 1.797,382 2.953,383 2.01,384 4.572,385 2.516,386 1.661,387 2.084,389 4.453,390 1.33,391 2.511,392 1.339,393 3.849,394 2.119,395 1.161,396 1.514,398 2.951,399 1.091,400 2.443,401 1.058,402 3.708,403 1.951,404 1.005,405 1.42,407 2.565,408 0.948,409 1.52,410 0.531,411 2.943,412 1.136,413 0.209,414 0.26,415 0.526,416 0.188,417 1.192,418 0.294,419 2.68,420 0.742,421 -0.101,422 -0.124,423 -0.24,424 -0.073,425 0.979,426 0.256,427 2.522,428 0.509,429 -0.411,430 -0.514,431 -1.08,432 -0.293,433 0.796,434 -0.201,435 2.359,436 0.402,437 -0.512,438 -0.614,439 -1.242,440 -0.375,441 0.73,442 -0.308,443 2.331,444 0.268,445 -0.517,446 -0.621,448 -1.299,449 -0.467,450 0.512,451 -0.719,452 2.076,453 0.132,454 -0.815,455 -1.09,457 -2.212,458 -0.77,459 11.329,460 0.493,461 0.736,462 0.032,463 33.25,464 1.446,465 17.5,466 0.761,467 15.75,468 0.685,469 16.521,470 0.718,471 24.071,472 0.651,473 22.963,474 0.998,475 6.561,476 0.285,477 4.375,478 0.19,479 0.241,481 0.388,485 0.906,486 1.342,487 0.543,488 0.783,489 1.07,490 0.752,491 0.742,492 1.011,493 0.558,494 0.694,495 0.462,496 0.697,497 1.06,498 1.024,499 1.002,500 0.984,501 0.954,502 1,503 0.827,504 1.178,505 0.826,506 1.077,507 0.695,508 1.103,509 1.092,510 1.057,511 1.192,512 1.258,513 1.228,514 1.291,515 0.658,516 0.674,517 0.625,518 0.734,519 0.767,520 0.854,521 1.183,522 0.988,523 1.337,524 1.135,525 1.034,526 1.048,527 1.176,528 0.984,529 0.999,530 0.928,531 1.353,532 1.016,533 6,534 0.153,535 2.889,536 2.125,537 1.671,538 0.667,539 0.424,540 0.342,541 0.303,542 0.117,543 5525,544 19807,545 2.016,546 37.8,548 10,551 4,555 1.655,556 1.84,557 3.274,558 1.908,560 1,562 1,564 63.334,565 1.712,566 3.707,567 4.443,568 4.919,569 4.919,570 4.919,571 2.686,572 4.437,573 4.498,574 3.396,575 859.28,576 7.732,577 9696.4,578 1,579 1,580 1,581 1,582 192.75,583 1.538,584 4.428,585 0.24,586 0.015,587 0.08,588 0.057,589 0.052,590 0.028,591 0.019,592 0.016,593 0.016,594 0.007,595 0.531,596 0.17,597 1,598 0.675,599 107.507,600 -0.181,601 -0.141,602 -0.011,603 0.038,604 -0.293,605 0.05,606 0.076,607 0.113,608 0.11,609 0.175,610 0.224,611 0.168,612 -0.082,613 0.069,614 -0.14,615 -0.085,616 -0.106,617 -0.133,618 0.053,619 -0.197,620 0.071,621 -0.111,622 0.155,623 -0.132,624 -0.174,625 -0.107,626 -0.269,627 -0.29,628 -0.272,629 -0.304,630 0.148,631 0.226,632 0.183,633 0.246,634 0.057,635 0.204,636 -0.175,637 -0.115,638 -0.151,639 -0.064,640 -0.102,641 0.011,642 -0.162,643 0.053,644 -0.085,645 -0.008,646 -0.255,647 -0.108,648 1.533,649 2.117,650 0.696,651 17.44,652 1.018,653 1.134,654 3.123,655 9.752,656 0.718,657 3.258,658 3.611,659 3.85,660 4.111,661 4.304,662 4.331,663 4.331,664 4.419,665 4.543,666 4.466,667 5.739,668 0.687,669 349.25,670 3.258,671 4.812,672 5.659,673 6.547,674 7.408,675 8.296,676 9.162,677 10.05,678 10.919,679 11.806,680 16.2,684 2,686 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,714 1,717 2,718 37,719 17,720 1,721 25,723 39,724 15,725 13,726 3,727 3,729 3,730 4,731 2,741 13,742 2,754 1,757 14,758 6,759 4,760 8,761 2,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,807 2,810 23,811 2,816 1,821 1,828 2,836 12.5,837 6.919,838 4.944,839 1.923,840 3.31,841 1.475,842 1.01,843 4.436,844 10.28,845 3.541,846 4.22,847 4.818,848 5.424,849 5.999,850 6.238,851 6.517,852 6.88,853 7.293,854 7.325,855 0.857,856 37,857 8.392,859 3.533,860 7.85,861 15.681,863 12.566,865 2.35,866 54.056,870 117.711,871 78.913,872 119.275,873 78.297,877 78.913,878 196.008,879 119.275,880 8.396,881 2.106,882 113.176,883 50.357,884 19.927,885 4.227,886 117.711,887 78.297,888 117.711,889 198.189,891 78.297,893 117.711,897 11.05,898 136.782,899 128.654,901 117.711,902 119.275,903 157.211,906 117.711,907 23.136,908 58.902,910 194.448,911 117.711,912 119.275,913 157.211,915 0.595,916 0.343,917 0.186,918 0.097,919 18,920 9,921 0.077,922 3,923 1,924 1.125,925 3.45,926 182.924,927 0.125,928 16,929 104.042,933 16.054,934 6.355,935 3.418,936 1.151,937 119.275,938 9.056,939 12.562,943 3.247,945 65.794,946 394.197,947 33.5,956 37.676,957 41.954,958 0.329,959 0.712,960 0.853,961 0.944,962 0.944,963 0.944,964 4.781,965 1.161,966 5.673,967 4.453,968 4.29,969 4.905,970 0.918,971 6.491,972 4.13,973 6.027,974 1.005,975 7.244,976 2.951,977 4.007,978 4.856,979 0.325,980 7.38,981 3.714,982 7.354,983 0.209,984 8.907,985 2.565,986 5.9,987 7.193,988 0.671,989 10.463,990 5.612,991 8.714,992 -0.101,993 10.622,994 0.526,995 6.347,996 7.896,997 0.393,998 12.133,999 5.941,1000 10.1,1001 -0.411,1002 12.37,1003 -0.24,1004 7.774,1005 9.76,1006 0.533,1007 14.751,1008 7.365,1009 11.505,1010 -0.512,1011 14.142,1012 -1.08,1013 8.569,1014 10.844,1015 0.384,1016 16.772,1017 8.061,1018 12.927,1019 -0.517,1020 15.933,1021 -1.242,1022 9.806,1023 12.5,1024 0.438,1025 19.208,1026 9.279,1027 3.088,1028 -0.815,1029 17.737,1030 -1.299,1031 10.77,1032 13.784,1033 0.351,1034 21.387,1035 10.159,1036 2.981,1037 10.185,1038 19.553,1039 -2.212,1040 11.93,1041 15.345,1042 0.366,1043 23.748,1044 11.285,1045 2.456,1046 9.721,1047 21.378,1048 4.491,1049 12.973,1050 16.732,1051 0.312,1052 25.997,1053 12.257,1054 2.219,1055 7.09,1056 23.211,1057 3.924,1058 14.103,1059 18.251,1060 0.309,1061 28.326,1062 13.344,1063 2.032,1064 6.164,1065 25.051,1066 3.244,1067 15.183,1068 19.69,1069 0.273,1070 30.606,1071 14.36,1072 1.956,1073 5.8,1074 26.895,1075 2.872,1076 16.302,1077 21.192,1078 0.262,1079 32.922,1080 15.431,1081 1.661,1082 5.737,1083 28.744,1084 2.811,1085 17.4,1086 22.658,1087 0.236,1088 35.217,1089 16.47,1090 5416,1091 10372,1092 16.126,1093 26.557,1094 38.016,1095 38.265,1096 39.42,1097 37.874,1098 37.539,1099 50.602,1100 2.178,1101 110.382,1102 34.256,1103 5.373,1104 5.354,1105 5.797,1106 5.112,1107 5.088,1108 7.491,1109 1.605,1110 17.079,1111 4.938,1112 13.349,1113 1.521,1114 1.531,1115 1.577,1116 1.515,1117 1.502,1118 2.024,1119 0.087,1120 4.415,1121 1.37,1122 4.057,1123 4.1,1124 4.103,1125 3.932,1126 5.323,1127 3.949,1128 3.911,1129 3.936,1130 4.012,1131 3.846,1132 5.019,1133 3.843,1134 3.547,1135 3.614,1136 3.61,1137 3.364,1138 4.988,1139 3.382,1140 3.315,1141 3.399,1142 3.475,1143 3.109,1144 4.774,1145 3.117,1146 3.115,1147 3.229,1148 3.236,1149 2.828,1150 4.63,1151 2.859,1152 2.916,1153 3.018,1154 3.01,1155 2.803,1156 4.282,1157 2.776,1158 2.88,1159 2.922,1160 2.943,1161 2.716,1162 4.142,1163 2.712,1164 2.775,1165 2.806,1166 2.71,1167 2.668,1168 3.915,1169 2.634,1170 0.182,1171 0.134,1172 0.26,1173 0.162,1174 0.124,1175 4.542,1176 0.18,1177 3.354,1178 0.037,1179 6.505,1180 0.407,1181 4.039,1182 0.118,1183 3.088,1184 4.491,1185 0.916,1186 10.185,1187 2.938,1188 1.974,1189 1.938,1190 2.035,1191 2.123,1192 1.164,1193 2.099,1194 1.875,1195 1.855,1196 1.932,1197 1.967,1198 1.048,1199 1.97,1200 1.487,1201 1.424,1202 1.674,1203 1.7,1204 0.8,1205 1.699,1206 1.269,1207 1.189,1208 1.515,1209 1.523,1210 0.544,1211 1.532,1212 1.008,1213 0.912,1214 1.291,1215 1.383,1216 0.311,1217 1.364,1218 0.92,1219 0.824,1220 1.268,1221 1.189,1222 0.171,1223 1.23,1224 0.869,1225 0.819,1226 1.101,1227 1.018,1229 1.062,1230 0.728,1231 0.701,1232 0.92,1233 0.922,1235 0.935,1236 3.932,1238 5.273,1240 6.806,1242 8.431,1244 10.103,1246 1.92,1247 12.152,1250 11.45,1252 0.543,1257 1.973,1262 25.417,1263 63.334,1264 137.166,1265 164.385,1266 181.995,1267 181.995,1268 181.995,1269 33.56,1270 6.97,1271 93.95,1272 93.95,1273 18,1274 12.34,1275 4.17,1276 3.248,1277 36.95,1278 80,1279 75,1280 0.231,1281 166.488,1282 273.58,1283 397.99,1284 9228,1285 5.4,1286 16.56,1287 0.72,1288 0.6,1289 17.56,1290 13.805,1291 10.936,1292 0.437,1293 0.302,1294 6.749,1295 9.971,1296 6.496,1297 5.385,1298 11.513,1299 7.542,1300 10.429,1301 0.29,1302 0.165,1303 11.208,1304 5.933,1305 8.301,1306 0.18,1307 0.085,1308 8.895,1309 3.902,1310 7.22,1311 0.12,1312 0.048,1313 7.997,1314 2.856,1315 5.339,1316 0.073,1317 0.023,1318 5.669,1319 1.65,1320 0.36,1321 74.426,1322 0.249,1323 22.494,1324 0.636,1325 122,1326 367.612,1327 163.557,1328 425.741,1329 565.46,1330 394,1331 143,1332 379.331,1333 175.729,1334 406.984,1335 593.47,1336 381,1337 7.237}
{0 CHEMBL54733,1 1.496,2 9.25,3 2.054,4 4.218,5 80.366,6 7.834,7 0.773,8 3.652,9 3.797,10 3.255,11 3.172,12 4.861,13 3.176,14 4.089,15 4.262,16 3.593,17 3.518,18 5.301,19 3.498,20 4.306,21 4.528,22 3.596,23 3.585,24 5.439,25 3.543,26 4.258,27 4.491,28 3.404,29 3.489,30 5.349,31 3.411,32 4.223,33 4.479,34 3.234,35 3.393,36 5.259,37 3.294,38 4.129,39 4.41,40 3.067,41 3.259,42 5.127,43 3.149,44 3.9,45 4.163,46 2.946,47 3.13,48 4.84,49 3.032,50 3.712,51 3.939,52 2.897,53 3.005,54 4.799,55 2.924,56 0.058,57 0.577,58 6.479,59 2.353,60 10.444,61 3.216,62 0.142,63 0.857,64 10.738,65 4.154,66 18.008,67 5.747,68 0.255,69 0.977,70 15.028,71 4.663,72 26.758,73 6.779,74 0.174,75 0.886,76 14.61,77 4.853,78 25.307,79 7.131,80 0.188,81 0.811,82 14.922,83 4.645,84 29.418,85 6.967,86 0.261,87 0.708,88 14.413,89 4.268,90 30.168,91 6.434,92 0.123,93 0.576,94 11.044,95 3.647,96 16.476,97 5.436,98 0.086,99 0.508,100 8.356,101 3.038,102 13.908,103 4.4,104 5,105 30,106 0.273,107 0.598,108 0.734,109 0.839,110 0.854,111 0.854,112 3.057,113 0.845,114 -3.34,115 -3.32,116 -3.18,119 41.2,125 1,139 7,141 1,143 3,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 2,172 3,173 3,175 2,178 4,181 2,182 2,184 1,185 2,187 3,189 2,193 1,195 1,196 1,197 1,198 4,200 2,204 2,205 1,207 3,209 1,210 1,212 2,215 2,218 2,221 2,224 2,225 1,228 1,229 4,234 1,241 3,246 4,250 1,251 2,253 1,254 1,256 2,260 4,265 2,270 2,273 466,274 13.585,275 13.585,276 13.585,277 13.585,278 13.585,279 11.497,280 16.037,281 8.156,282 13.875,283 10.888,284 10.888,285 10.888,286 10.888,287 10.888,288 7.817,289 23.348,290 3.93,291 11.387,292 3.592,293 1.814,294 1.071,295 0.493,296 0.412,297 0.412,298 3.741,300 1,301 1,302 1,303 400,304 2.236,307 160.195,311 82.75,314 1.45,315 15.294,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 43,327 185,328 4.541,329 3.132,330 6.502,331 4.031,332 3.078,333 4.491,334 0.657,335 10.175,336 2.933,337 3.913,338 2.764,339 5.406,340 3.524,341 2.559,342 3.451,344 7.147,345 2.471,346 3.749,347 2.494,348 5.24,349 3.31,350 2.355,351 3.224,353 6.685,354 2.251,355 3.429,356 2.177,357 5.062,358 2.968,359 2.039,360 2.811,362 5.801,363 1.887,364 3.371,365 2.04,366 4.966,367 2.905,368 1.958,369 2.697,371 5.741,372 1.85,373 2.916,374 1.562,375 3.711,376 2.474,377 1.492,378 2.086,380 3.148,381 1.463,382 2.5,383 1.059,384 3.639,385 2,386 1.008,387 1.5,389 2.565,390 1,391 2.454,392 1,393 3.247,394 1.959,395 1,396 1.434,398 2.136,399 0.956,400 1.907,401 0.894,402 3.166,403 1.626,404 0.687,405 0.81,407 1.615,408 0.644,409 1.368,410 0.176,411 2.721,412 0.954,413 0.022,414 0.029,415 0.055,416 0.021,417 0.976,418 -0.286,419 2.549,420 0.495,421 -0.433,422 -0.562,423 -1.125,424 -0.399,425 0.78,426 -0.354,427 2.392,428 0.392,429 -0.556,430 -0.688,431 -1.318,432 -0.527,433 0.562,434 -0.713,435 2.051,436 0.132,437 -0.815,438 -1.084,439 -2.08,440 -0.769,441 0.5,442 -0.788,443 1.562,444 0.054,445 -0.9,446 -1.204,448 -2.347,449 -0.86,450 0.414,451 -1,452 1.555,454 -1,455 -1.5,457 -2.452,458 -1,459 9.4,460 0.47,461 0.452,462 0.023,463 31,464 1.55,465 17.5,466 0.875,467 13.5,468 0.675,469 10.754,470 0.538,471 20.6,472 0.606,473 19.749,474 0.987,475 6.235,476 0.312,477 3.485,478 0.174,479 0.085,481 0.319,485 1.2,486 1.225,487 0.804,488 0.873,489 1.339,490 0.791,491 0.652,492 1.154,493 0.783,494 1.081,495 0.505,496 0.976,497 1.079,498 0.982,499 1.003,500 0.952,501 0.896,502 0.963,503 0.942,504 1.191,505 1.069,506 1.208,507 0.774,508 1.168,509 1.066,510 1.06,511 1.104,512 1.095,513 1.159,514 1.104,515 1.021,516 0.638,517 1.055,518 0.81,519 1.086,520 0.916,521 0.903,522 0.853,523 0.905,524 0.873,525 0.824,526 0.886,527 0.729,528 1.096,529 0.949,530 1.15,531 0.82,532 1.097,533 4,534 0.062,535 1.778,536 1,537 1.249,538 0.354,539 0.182,540 0.248,541 0.123,542 0.086,543 4058,544 11056,545 2.107,546 41.2,548 9,551 5,555 1.613,556 2,557 3.184,558 2.868,560 1,562 1,564 50.858,565 1.496,566 3.274,567 4.017,568 4.595,569 4.676,570 4.676,571 2.69,572 3.784,573 4.294,574 3.31,575 628.958,576 7.312,577 6456.33,578 1,579 1,581 1,582 172.974,583 1.295,584 4.266,585 0.182,586 0.009,587 0.059,588 0.034,589 0.054,590 0.019,591 0.011,592 0.017,593 0.009,594 0.008,595 0.402,596 0.5,597 1,598 0.548,599 89.233,600 -0.248,601 -0.037,603 0.099,604 -0.357,605 0.092,606 0.262,607 -0.041,608 0.067,609 -0.097,610 0.247,611 -0.056,612 0.016,613 0.069,614 -0.066,615 -0.022,616 -0.018,617 -0.051,618 0.005,619 -0.208,620 -0.121,621 -0.238,622 0.119,623 -0.207,624 -0.1,625 -0.122,626 -0.116,627 -0.128,628 -0.106,629 -0.125,630 0.011,631 0.273,632 -0.021,633 0.148,634 -0.099,635 0.074,636 -0.073,637 0.049,638 0.091,639 0.145,640 -0.05,641 0.145,642 0.081,643 -0.132,644 -0.012,645 -0.134,646 0.103,647 -0.096,648 1.507,649 1.819,650 0.8,651 15.1,652 1.004,653 1.137,654 2.106,655 4.435,656 0.679,657 3.135,658 3.434,659 3.664,660 3.912,661 4.143,662 4.094,663 4.143,664 4.22,665 4.317,666 4.234,667 5.405,668 0.654,669 266.34,670 3.135,671 4.654,672 5.485,673 6.347,674 7.195,675 8.062,676 8.918,677 9.788,678 10.649,679 11.521,680 17.6,684 2,685 1,690 3,694 2,695 7,696 3,700 4,702 17,711 2,712 1,718 34,719 17,720 1,721 22,723 36,724 14,725 13,726 1,727 5,729 3,730 4,741 13,742 1,753 1,754 1,757 14,758 6,759 5,760 6,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,810 20,811 2,816 1,817 1,836 10,837 5.85,838 4.389,839 1.793,840 3.277,841 1.489,842 1.035,843 3.354,844 9.977,845 3.45,846 4.094,847 4.694,848 5.301,849 5.895,850 6.082,851 6.417,852 6.776,853 7.181,854 7.162,855 1,856 29,857 7.302,859 3.054,860 7.75,861 13.778,863 10.988,865 2.25,866 45,870 105.94,871 82.468,872 134.162,877 82.468,878 105.94,879 134.162,881 2.106,882 132.128,883 68.367,884 9.802,885 4.227,886 105.94,888 105.94,889 216.63,893 105.94,897 11.05,898 137.213,899 68.367,901 105.94,902 134.162,903 82.468,906 105.94,907 16.134,908 66.334,909 18.011,910 116.151,911 105.94,912 134.162,913 82.468,915 0.576,916 0.327,917 0.179,918 0.1,919 15,920 6,921 0.083,922 3,923 1,924 1.125,925 3.336,926 146.888,927 0.125,928 16,929 82.439,933 12.634,934 5.31,935 2.808,936 1.227,937 134.162,938 13.665,939 12.485,943 2.36,945 83.805,946 322.57,947 30.5,956 34.145,957 38.651,958 0.294,959 0.643,960 0.79,961 0.903,962 0.919,963 0.919,964 4.647,965 1,966 5.451,967 2.565,968 4.111,969 4.779,970 0.623,971 6.213,972 4.021,973 5.862,974 0.687,975 6.974,976 2.136,977 3.611,978 4.559,980 6.986,981 3.461,982 7.164,983 0.022,984 8.595,985 1.615,986 5.652,987 7.043,988 0.317,989 10.075,990 5.471,991 8.503,992 -0.433,993 10.273,994 0.055,995 5.943,996 7.644,998 11.689,999 5.697,1000 9.871,1001 -0.556,1002 11.99,1003 -1.125,1004 7.459,1005 9.595,1006 0.149,1007 14.297,1008 7.186,1009 11.262,1010 -0.815,1011 13.734,1012 -1.318,1013 8.149,1014 10.626,1016 16.298,1017 7.813,1018 12.672,1019 -0.9,1020 15.5,1021 -2.08,1022 9.432,1023 12.332,1024 0.067,1025 18.73,1026 9.066,1027 3.078,1028 -1,1029 17.282,1030 -2.347,1031 10.333,1032 13.597,1034 20.911,1035 9.906,1036 2.559,1037 10.175,1038 19.08,1039 -2.452,1040 11.513,1041 15.188,1042 0.03,1043 23.275,1044 11.05,1045 2.355,1046 7.147,1047 20.889,1048 4.491,1049 12.523,1050 16.574,1052 25.535,1053 12.003,1054 2.039,1055 6.685,1056 22.709,1057 3.451,1058 13.661,1059 18.113,1060 0.013,1061 27.873,1062 13.1,1063 1.958,1064 5.801,1065 24.537,1066 3.224,1067 14.726,1068 19.559,1070 30.166,1071 14.11,1072 1.492,1073 5.741,1074 26.373,1075 2.811,1076 15.849,1077 21.075,1078 0.006,1079 32.494,1080 15.188,1081 1.008,1082 3.148,1083 28.215,1084 2.697,1085 16.942,1086 22.551,1088 34.802,1089 16.228,1090 3910,1091 6571,1092 14.909,1093 23.08,1094 32.605,1095 32.523,1096 32.785,1097 32.414,1098 32.398,1099 45.063,1100 1.315,1101 90.134,1102 30.949,1103 5.36,1104 5.132,1105 6.304,1106 5.104,1107 5.078,1108 7.491,1109 1.315,1110 17.069,1111 4.933,1112 7.675,1113 1.482,1114 1.478,1115 1.49,1116 1.473,1117 1.473,1118 2.048,1119 0.06,1120 4.097,1121 1.407,1122 4.053,1123 4.097,1124 4.027,1125 3.924,1126 5.323,1127 3.943,1128 3.889,1129 3.927,1130 3.82,1131 3.812,1132 4.988,1133 3.81,1134 3.524,1135 3.593,1136 3.452,1137 3.338,1138 4.812,1139 3.359,1140 3.193,1141 3.28,1142 3.068,1143 2.986,1144 4.741,1145 2.996,1146 3.111,1147 3.228,1148 2.999,1149 2.807,1150 4.246,1151 2.846,1152 2.854,1153 2.925,1154 2.687,1155 2.735,1156 3.978,1157 2.715,1158 2.808,1159 2.883,1160 2.687,1161 2.663,1162 3.897,1163 2.659,1164 2.616,1165 2.739,1166 2.432,1167 2.313,1168 3.674,1169 2.327,1170 0.206,1171 0.142,1172 0.296,1173 0.183,1174 0.14,1175 4.541,1176 0.204,1177 3.132,1178 0.03,1179 6.502,1180 0.462,1181 4.031,1182 0.133,1183 3.078,1184 4.491,1185 0.657,1186 10.175,1187 2.933,1188 1.972,1189 1.936,1190 2.045,1191 2.122,1192 1.136,1193 2.098,1194 1.88,1195 1.848,1196 1.99,1197 1.984,1198 1.045,1199 1.991,1200 1.459,1201 1.398,1202 1.62,1203 1.685,1204 0.741,1205 1.674,1206 1.148,1207 1.069,1208 1.39,1209 1.408,1210 0.338,1211 1.412,1212 0.998,1213 0.896,1214 1.272,1215 1.383,1216 0.218,1217 1.364,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.158,1223 1.107,1224 0.803,1225 0.738,1226 1.069,1227 1.008,1229 1.029,1230 0.557,1231 0.438,1232 0.919,1233 0.911,1235 0.927,1236 3.807,1238 5.106,1240 6.608,1242 8.205,1244 9.854,1250 11.374,1252 0.601,1253 3.288,1262 22.236,1263 50.858,1264 111.306,1265 136.567,1266 156.219,1267 158.974,1268 158.974,1269 22.376,1270 6.7,1271 102.74,1272 102.74,1273 18,1274 12.065,1275 4.17,1276 3.248,1277 30.133,1278 65,1279 60,1280 0.231,1281 140.23,1282 225.86,1283 333.92,1284 6718,1286 13.949,1287 0.697,1288 0.537,1289 13.949,1290 10.745,1291 9.72,1292 0.442,1293 0.282,1294 6.113,1295 9.39,1296 6,1297 4.999,1298 9.72,1299 6.197,1300 8.738,1301 0.291,1302 0.145,1303 8.738,1304 4.357,1305 7.075,1306 0.186,1307 0.076,1308 7.075,1309 2.892,1310 5.981,1311 0.122,1312 0.04,1313 5.981,1314 1.943,1315 4.853,1316 0.078,1317 0.021,1318 4.853,1319 1.294,1320 0.361,1321 60.578,1322 0.259,1323 20.094,1324 0.63,1325 104,1326 287.893,1327 114.158,1328 290.64,1329 406.94,1330 272,1331 120,1332 312.831,1333 129.936,1334 319.112,1335 463.23,1336 301,1337 6.585}
{0 CHEMBL54792,1 1.588,2 10.043,3 2.391,4 5.716,5 91.064,6 7.571,7 0.68,8 3.828,9 3.966,10 3.403,11 3.298,12 5.014,13 3.305,14 4.303,15 4.492,16 3.746,17 3.643,18 5.454,19 3.637,20 4.459,21 4.647,22 3.802,23 3.785,24 5.589,25 3.754,26 4.56,27 4.78,28 3.697,29 3.806,30 5.615,31 3.72,32 4.613,33 4.872,34 3.551,35 3.753,36 5.588,37 3.642,38 4.529,39 4.798,40 3.357,41 3.62,42 5.455,43 3.499,44 4.323,45 4.586,46 3.312,47 3.494,48 5.239,49 3.378,50 4.253,51 4.527,52 3.227,53 3.351,54 5.264,55 3.264,56 0.059,57 0.658,58 8.337,59 3.027,60 10.739,61 4.245,62 0.264,63 0.972,64 15.243,65 4.989,66 24.465,67 7.024,68 0.292,69 1.136,70 17.477,71 5.692,72 25.929,73 8.116,74 0.253,75 1.16,76 20.209,77 7.1,78 29.035,79 10.453,80 0.29,81 1.129,82 22.856,83 7.133,84 38.563,85 10.888,86 0.426,87 0.98,88 21.959,89 6.501,90 38.525,91 9.65,92 0.187,93 0.83,94 17.19,95 5.951,96 20.905,97 9.015,98 0.254,99 0.761,100 16.529,101 4.647,102 31.116,103 7.228,104 18,105 35,106 0.279,107 0.634,108 0.792,109 0.876,110 0.876,111 0.876,112 3.188,113 0.852,114 -3.35,115 -3.33,116 -3.19,119 39,124 2,125 1,139 6,141 2,143 3,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 6,172 3,173 3,178 3,181 3,182 5,184 1,185 1,189 1,192 1,193 4,195 1,196 1,197 1,198 2,200 2,204 2,205 1,207 3,209 1,210 1,212 2,215 2,218 2,220 2,221 1,223 1,224 1,229 3,233 1,234 2,241 2,246 5,248 1,249 1,251 2,254 1,256 2,260 2,265 1,270 1,273 681,274 15.403,275 15.403,276 15.403,277 15.403,278 15.403,279 13.367,280 20.865,281 8.971,282 15.915,283 12.277,284 12.277,285 12.277,286 12.277,287 12.277,288 9.162,289 29.585,290 4.2,291 13.03,292 3.77,293 1.751,294 0.854,295 0.378,296 0.378,297 0.378,298 3.868,300 1,301 1,302 1,303 492,304 2.915,307 193.694,311 100.692,314 1.44,315 17.906,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50,327 231,328 4.542,329 3.19,330 6.503,331 4.036,332 3.084,333 4.491,334 0.916,335 10.18,336 2.937,337 4.159,338 3.07,339 6.086,340 3.809,341 2.86,342 3.723,343 0.86,344 8.852,345 2.714,346 3.787,347 2.768,348 5.366,349 3.39,350 2.444,351 3.241,352 0.172,353 7.037,354 2.312,355 3.527,356 2.461,357 5.181,358 3.148,359 2.224,360 2.811,362 6.362,363 2.051,364 3.426,365 2.167,366 5.062,367 2.959,368 2.026,369 2.804,371 5.8,372 1.883,373 3.336,374 2.034,375 4.966,376 2.884,377 1.937,378 2.637,380 5.729,381 1.828,382 2.753,383 1.582,384 4.028,385 2.336,386 1.378,387 1.85,389 3.348,390 1.316,391 2.458,392 1.117,393 3.708,394 2.013,395 1.036,396 1.441,398 2.565,399 1.009,400 2.367,401 1.057,402 3.475,403 1.944,404 1,405 1.333,407 2.468,408 0.942,409 1.583,410 0.935,411 2.895,412 1.293,413 0.428,414 0.48,415 0.623,416 0.366,417 1.492,418 0.387,419 2.694,420 1.105,421 0.166,422 0.21,423 0.417,424 0.156,425 0.987,426 -0.191,427 2.643,428 0.543,429 -0.387,430 -0.481,431 -1.044,432 -0.359,433 0.807,434 -0.307,435 2.502,436 0.43,437 -0.491,438 -0.605,439 -1.257,440 -0.451,441 0.651,442 -0.379,443 2.245,444 0.258,445 -0.693,446 -0.878,448 -1.448,449 -0.65,450 0.573,451 -0.649,452 1.883,453 0.132,454 -0.815,455 -1.085,457 -2.206,458 -0.77,459 10.733,460 0.467,461 0.609,462 0.026,463 33.75,464 1.467,465 18,466 0.783,467 15.75,468 0.685,469 14.771,470 0.642,471 24.667,472 0.602,473 23.883,474 1.038,475 6.885,476 0.299,477 4.178,478 0.182,479 0.168,481 0.363,485 1.065,486 1.428,487 0.807,488 1.091,489 1.249,490 0.926,491 1.107,492 0.973,493 0.765,494 0.81,495 0.608,496 0.752,497 1.114,498 1.068,499 1.049,500 1.033,501 0.928,502 1.029,503 0.701,504 1.24,505 1.019,506 1.274,507 0.683,508 1.216,509 0.903,510 1.057,511 1.065,512 1.109,513 1.006,514 1.109,515 1.229,516 0.696,517 1.167,518 0.879,519 1.152,520 1.001,521 0.504,522 1.063,523 0.805,524 1.088,525 0.485,526 1.014,527 1.066,528 0.854,529 0.948,530 0.841,531 1.154,532 0.862,533 5.5,534 0.099,535 2.444,536 1.688,537 1.68,538 0.563,539 0.426,540 0.295,541 0.18,542 0.171,543 5609,544 15707,545 2.041,546 43.9,548 14,551 4,555 1.655,556 1.89,557 3.306,558 1.865,559 1,560 1,562 1,564 65.091,565 1.588,566 3.607,567 4.503,568 4.979,569 4.979,570 4.979,571 2.736,572 4.437,573 4.497,574 3.421,575 865.553,576 7.731,577 9833.93,578 1,579 1,581 1,582 219.66,583 1.478,584 4.443,585 0.22,586 0.008,587 0.07,588 0.047,589 0.054,590 0.022,591 0.02,592 0.014,593 0.009,594 0.011,595 0.475,596 0.17,597 1,598 0.832,599 107.822,600 -0.141,601 -0.199,602 0.033,603 -0.05,604 -0.279,605 0.016,606 0.027,607 0.136,608 0.164,609 0.183,610 0.223,611 0.187,612 -0.085,613 0.074,614 -0.143,615 -0.054,616 -0.065,617 -0.103,618 0.09,619 -0.217,620 -0.1,621 -0.25,622 0.113,623 -0.219,624 -0.071,625 -0.105,626 -0.095,627 -0.125,628 -0.079,629 -0.114,630 -0.147,631 0.219,632 -0.155,633 0.081,634 -0.227,635 -0.024,636 0.182,637 -0.162,638 0.161,639 -0.047,640 0.207,641 0.038,642 -0.082,643 0.07,644 0.064,645 0.107,646 -0.061,647 0.115,648 1.516,649 1.882,650 0.696,651 17.905,652 1.006,653 1.139,654 2.12,655 4.496,656 0.66,657 3.258,658 3.584,659 3.829,660 4.078,661 4.304,662 4.29,663 4.369,664 4.394,665 4.511,666 4.454,667 5.823,668 0.634,669 310.4,670 3.258,671 4.796,672 5.638,673 6.515,674 7.373,675 8.251,676 9.116,677 9.994,678 10.863,679 11.741,680 14.6,684 2,686 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,714 1,716 1,718 41,719 17,720 1,721 25,723 43,724 16,725 13,726 2,727 4,729 3,730 4,741 13,742 3,753 1,754 1,757 18,758 7,759 4,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 2,810 23,811 2,816 1,818 1,821 1,829 2.4,834 1,836 12.167,837 7.883,838 5.083,839 2.108,840 3.292,841 1.472,842 0.995,843 4.279,844 10.261,845 3.541,846 4.19,847 4.794,848 5.4,849 5.987,850 6.205,851 6.544,852 6.861,853 7.274,854 7.302,855 0.857,856 36,857 8.403,859 3.466,860 7.746,861 15.869,863 12.494,865 2.246,866 51.667,869 1,870 164.795,871 97.515,872 119.275,874 11,877 97.515,878 175.795,879 119.275,880 19.279,881 2.106,882 122.652,883 50.357,884 29.169,885 4.227,886 164.795,888 164.795,889 216.79,890 11,893 164.795,894 11,897 11.05,898 155.384,899 50.357,901 164.795,902 130.275,903 97.515,906 164.795,907 21.378,908 79.261,910 127.151,911 164.795,912 130.275,913 97.515,915 0.583,916 0.342,917 0.184,918 0.102,919 17,920 8,921 0.093,922 4,923 1,924 1.125,925 3.496,926 180.873,927 0.125,928 16,929 104.042,933 15.466,934 6.363,935 3.334,936 1.207,937 130.275,938 11.61,939 12.632,943 3.154,945 65.794,946 392.585,947 33.5,956 41.24,957 46.69,958 0.296,959 0.673,960 0.841,961 0.929,962 0.929,963 0.929,964 4.764,965 1.036,966 5.631,967 3.348,968 4.263,969 4.875,970 1.382,971 6.428,972 4.151,973 5.99,974 1,975 7.185,976 2.565,977 3.892,978 4.745,979 0.325,980 7.273,981 3.714,982 7.305,983 0.428,984 8.832,985 2.468,986 5.849,987 7.141,988 1.115,989 10.347,990 5.634,991 8.653,992 0.166,993 10.531,994 0.623,995 6.236,996 7.792,997 0.393,998 11.975,999 5.952,1000 10.03,1001 -0.387,1002 12.264,1003 0.417,1004 7.694,1005 9.691,1006 0.921,1007 14.575,1008 7.381,1009 11.426,1010 -0.491,1011 14.02,1012 -1.044,1013 8.444,1014 10.744,1015 0.384,1016 16.561,1017 8.066,1018 12.84,1019 -0.693,1020 15.793,1021 -1.257,1022 9.693,1023 12.42,1024 0.764,1025 18.981,1026 9.283,1027 3.084,1028 -0.815,1029 17.581,1030 -1.448,1031 10.625,1032 13.69,1033 0.351,1034 21.137,1035 10.156,1036 2.86,1037 10.18,1038 19.379,1039 -2.206,1040 11.785,1041 15.263,1042 0.634,1043 23.486,1044 11.28,1045 2.444,1046 8.852,1047 21.188,1048 4.491,1049 12.807,1050 16.646,1051 0.312,1052 25.722,1053 12.246,1054 2.224,1055 7.037,1056 23.004,1057 3.723,1058 13.932,1059 18.173,1060 0.525,1061 28.044,1062 13.33,1063 2.026,1064 6.362,1065 24.827,1066 3.241,1067 14.998,1068 19.614,1069 0.273,1070 30.318,1071 14.344,1072 1.937,1073 5.8,1074 26.656,1075 2.811,1076 16.11,1077 21.122,1078 0.433,1079 32.631,1080 15.412,1081 1.378,1082 5.729,1083 28.49,1084 2.804,1085 17.198,1086 22.592,1087 0.236,1088 34.924,1089 16.449,1090 5491,1091 9313,1092 16.414,1093 27.057,1094 37.384,1095 37.663,1096 38.538,1097 37.155,1098 37.167,1099 50.04,1100 3.898,1101 106.761,1102 35.029,1103 5.37,1104 5.19,1105 6.093,1106 5.109,1107 5.084,1108 7.491,1109 1.776,1110 17.074,1111 4.937,1112 12.032,1113 1.495,1114 1.507,1115 1.542,1116 1.486,1117 1.487,1118 2.002,1119 0.156,1120 4.27,1121 1.401,1122 4.057,1123 4.101,1124 4.031,1125 3.928,1126 5.323,1127 3.947,1128 3.911,1129 3.942,1130 3.857,1131 3.819,1132 4.988,1133 3.824,1134 3.552,1135 3.619,1136 3.474,1137 3.361,1138 4.874,1139 3.381,1140 3.333,1141 3.412,1142 3.21,1143 3.105,1144 4.77,1145 3.118,1146 3.215,1147 3.291,1148 3.023,1149 2.952,1150 4.411,1151 2.956,1152 3.115,1153 3.229,1154 3.002,1155 2.823,1156 4.227,1157 2.857,1158 2.916,1159 3.018,1160 2.735,1161 2.706,1162 4.02,1163 2.703,1164 2.787,1165 2.861,1166 2.59,1167 2.651,1168 3.903,1169 2.625,1170 0.182,1171 0.128,1172 0.26,1173 0.161,1174 0.123,1175 4.542,1176 0.18,1177 3.19,1178 0.037,1179 6.503,1180 0.407,1181 4.036,1182 0.117,1183 3.084,1184 4.491,1185 0.916,1186 10.18,1187 2.937,1188 1.974,1189 1.938,1190 2.044,1191 2.124,1192 1.165,1193 2.1,1194 1.881,1195 1.855,1196 1.978,1197 2,1198 1.051,1199 1.996,1200 1.49,1201 1.426,1202 1.693,1203 1.721,1204 0.805,1205 1.715,1206 1.278,1207 1.201,1208 1.565,1209 1.55,1210 0.573,1211 1.552,1212 1.18,1213 1.101,1214 1.514,1215 1.475,1216 0.543,1217 1.503,1218 1.008,1219 0.912,1220 1.292,1221 1.383,1222 0.311,1223 1.364,1224 0.92,1225 0.819,1226 1.268,1227 1.189,1228 0.172,1229 1.23,1230 0.817,1231 0.748,1232 1.105,1233 0.999,1234 0.095,1235 1.039,1236 3.932,1238 5.252,1240 6.772,1242 8.384,1244 10.043,1246 3.641,1250 11.479,1252 0.618,1254 5.253,1257 2.074,1262 26.004,1263 65.091,1264 147.885,1265 184.64,1266 204.15,1267 204.15,1268 204.15,1269 29.333,1270 6.969,1271 103.18,1272 103.18,1273 18,1274 12.28,1275 4.17,1276 3.248,1277 36.951,1278 81,1279 77,1280 0.227,1281 163.411,1282 269.25,1283 390.482,1284 9316,1286 16.397,1287 0.713,1288 0.566,1289 16.397,1290 13.023,1291 11.063,1292 0.443,1293 0.284,1294 6.965,1295 10.539,1296 6.737,1297 5.653,1298 11.063,1299 7.104,1300 10.071,1301 0.288,1302 0.148,1303 10.071,1304 5.195,1305 8.277,1306 0.184,1307 0.079,1308 8.277,1309 3.538,1310 6.924,1311 0.119,1312 0.041,1313 6.924,1314 2.366,1315 5.565,1316 0.076,1317 0.021,1318 5.565,1319 1.564,1320 0.355,1321 69.954,1322 0.247,1323 22.567,1324 0.622,1325 120,1326 354.94,1327 133.397,1328 347.937,1329 482.47,1330 326,1331 140,1332 365.151,1333 153.426,1334 373.511,1335 540.53,1336 348,1337 7.456}
{0 CHEMBL54913,1 1.739,2 9.409,3 3.383,4 11.441,5 89.976,6 9.859,7 0.708,8 3.668,9 3.795,10 3.455,11 3.242,12 4.916,13 3.243,14 4.111,15 4.258,16 3.867,17 3.615,18 5.386,19 3.593,20 4.341,21 4.522,22 4.009,23 3.719,24 5.6,25 3.678,26 4.303,27 4.484,28 3.936,29 3.661,30 5.551,31 3.572,32 4.258,33 4.473,34 3.483,35 3.509,36 5.384,37 3.399,38 4.151,39 4.407,40 3.523,41 3.361,42 5.281,43 3.266,44 3.937,45 4.157,46 3.433,47 3.294,48 5.028,49 3.198,50 3.757,51 3.932,52 3.404,53 3.19,54 4.954,55 3.107,56 0.119,57 0.556,58 3.963,59 2.28,60 13.612,61 2.492,62 0.217,63 0.825,64 7.679,65 4.141,66 19.499,67 4.96,68 0.426,69 0.929,70 15.514,71 5.157,72 34.632,73 5.966,74 0.399,75 0.844,76 20.713,77 5.65,78 39.006,79 6.463,80 0.386,81 0.783,82 19.86,83 5.493,84 42.127,85 6.496,86 0.395,87 0.689,88 15.613,89 4.843,90 37.888,91 6.275,92 0.251,93 0.544,94 13.989,95 4.243,96 24.66,97 5.234,98 0.188,99 0.473,100 10.032,101 3.422,102 19.774,103 4.066,104 17,105 34,106 0.318,107 0.663,108 0.781,109 0.854,110 0.854,111 0.854,112 3.146,113 0.896,114 -4.11,115 -4.06,116 -3.84,119 41.2,125 1,139 5,141 3,143 3,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 2,172 3,173 3,178 3,181 2,182 2,184 1,185 2,187 5,189 2,193 1,195 1,196 1,197 1,198 4,200 2,201 3,204 2,205 1,207 1,209 1,210 1,212 2,218 2,221 4,224 2,225 1,228 1,229 4,234 1,241 5,250 1,253 1,254 1,260 8,265 4,270 4,273 592,274 14.585,275 14.585,276 14.585,277 14.585,278 14.585,279 12.392,280 15.904,281 8.452,282 15.092,283 11.816,284 11.816,285 11.816,286 11.816,287 11.816,288 8.588,289 19.761,290 3.998,291 12.787,292 3.348,293 1.458,294 0.812,295 0.412,296 0.412,297 0.412,298 3.825,299 2,300 1,301 1,302 1,303 442,304 2.449,307 179.352,311 92.351,314 1.463,315 22.954,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 47.667,327 207,328 4.541,329 3.361,330 6.502,331 4.032,332 3.08,333 4.491,334 0.657,335 10.175,336 2.933,337 4.326,338 3.126,339 6.39,340 3.873,341 2.962,342 3.986,344 9.636,345 2.649,346 3.767,347 2.642,348 5.31,349 3.35,350 2.403,351 3.231,353 6.876,354 2.274,355 3.429,356 2.623,357 5.062,358 2.971,359 2.044,360 2.811,362 5.803,363 1.887,364 3.375,365 2.191,366 4.97,367 2.91,368 1.964,369 2.699,371 5.755,372 1.852,373 3.232,374 2.05,375 4.841,376 2.707,377 1.879,378 2.481,380 5.104,381 1.466,382 2.916,383 1.686,384 4.041,385 2.48,386 1.505,387 2.087,389 3.593,390 1.441,391 2.454,392 1.258,393 3.71,394 1.961,395 1.01,396 1.435,398 2.565,399 0.957,400 2.049,401 1.058,402 3.306,403 1.75,404 0.857,405 0.989,407 1.944,408 0.736,409 1.474,410 0.675,411 2.787,412 1.065,413 0.184,414 0.223,415 0.454,416 0.147,417 1.078,418 0.173,419 2.616,420 0.67,421 -0.19,422 -0.232,423 -0.469,424 -0.148,425 1,426 0.085,427 2.481,428 0.473,429 -0.347,430 -0.445,431 -0.757,432 -0.229,433 0.952,434 -0.296,435 2.352,436 0.467,437 -0.45,438 -0.579,439 -1.159,440 -0.41,441 0.578,442 -0.499,443 2.207,444 0.133,445 -0.813,446 -0.997,448 -2.042,449 -0.708,450 0.424,451 -0.73,452 1.903,453 0.096,454 -0.828,455 -1.122,457 -2.435,458 -0.772,459 10.829,460 0.492,461 0.63,462 0.029,463 32.5,464 1.477,465 17.5,466 0.795,467 15,468 0.682,469 14.762,470 0.671,471 22.771,472 0.67,473 21.604,474 0.982,475 6.411,476 0.291,477 4.131,478 0.188,479 0.206,481 0.369,485 0.953,486 1.211,487 0.537,488 0.673,489 1.105,490 0.665,491 0.658,492 1.129,493 0.57,494 0.83,495 0.522,496 0.817,497 0.98,498 0.978,499 0.915,500 0.9,501 0.89,502 0.901,503 1.115,504 1.182,505 1.136,506 1.193,507 0.96,508 1.206,509 1.268,510 1.071,511 1.326,512 1.268,513 1.367,514 1.299,515 0.699,516 0.643,517 0.652,518 0.712,519 0.786,520 0.823,521 1.08,522 0.818,523 0.99,524 0.788,525 0.961,526 0.82,527 1.083,528 1.054,529 1.139,530 1.036,531 1.186,532 1.016,533 5,534 0.119,535 2.889,536 1.75,537 1.471,538 0.576,539 0.264,540 0.28,541 0.312,542 0.106,543 5000,544 18174,545 2.043,546 35.3,548 7,551 5,555 1.642,556 1.886,557 3.179,558 2.824,560 1,562 1,564 59.141,565 1.739,566 3.629,567 4.275,568 4.676,569 4.676,570 4.676,571 2.665,572 4.187,573 4.436,574 3.344,575 772.538,576 7.602,577 8521.31,578 1,579 1,580 1,581 1,582 172.974,583 1.495,584 4.376,585 0.208,586 0.013,587 0.085,588 0.05,589 0.053,590 0.027,591 0.013,592 0.015,593 0.017,594 0.006,595 0.488,596 0.33,597 1,598 0.65,599 101.372,600 -0.236,601 -0.024,602 -0.024,603 0.121,604 -0.33,605 0.103,606 0.108,607 -0.016,608 0.068,609 0.024,610 0.164,611 0.025,612 0.014,613 0.074,614 -0.025,615 0.004,616 -0.017,617 -0.02,618 -0.091,619 -0.205,620 -0.082,621 -0.218,622 0.014,623 -0.265,624 -0.292,625 -0.132,626 -0.33,627 -0.286,628 -0.334,629 -0.309,630 0.19,631 0.285,632 0.193,633 0.262,634 0.114,635 0.225,636 -0.147,637 0.082,638 0.051,639 0.253,640 -0.084,641 0.24,642 -0.11,643 -0.101,644 -0.061,645 -0.022,646 -0.184,647 -0.035,648 1.541,649 2.001,650 0.727,651 16.083,652 1.023,653 1.133,654 2.88,655 8.292,656 0.729,657 3.219,658 3.555,659 3.807,660 4.043,661 4.234,662 4.234,663 4.234,664 4.331,665 4.489,666 4.443,667 5.613,668 0.703,669 335.22,670 3.219,671 4.762,672 5.609,673 6.488,674 7.348,675 8.228,676 9.092,677 9.972,678 10.839,679 11.719,680 17.6,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,717 2,718 34,719 17,720 1,721 24,723 36,724 14,725 13,726 3,727 3,729 3,730 4,731 2,741 13,742 1,753 1,754 1,757 12,758 6,759 5,760 8,761 2,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,807 2,810 22,811 2,816 1,817 1,828 2,836 11.667,837 5.969,838 4.778,839 1.767,840 3.385,841 1.49,842 1.025,843 4.2,844 10.299,845 3.512,846 4.19,847 4.798,848 5.39,849 5.957,850 6.179,851 6.462,852 6.827,853 7.255,854 7.294,855 1,856 35,857 8.021,859 3.401,860 7.889,861 14.9,863 11.952,865 2.389,866 52.556,870 82.398,871 70.517,872 134.162,873 78.297,877 70.517,878 160.695,879 134.162,881 2.106,882 113.176,883 68.367,884 16.803,885 4.227,886 82.398,887 78.297,888 82.398,889 204.679,891 78.297,893 82.398,897 11.05,898 125.261,899 146.665,901 82.398,902 134.162,903 148.814,906 82.398,907 23.136,908 47.381,909 18.011,910 194.448,911 82.398,912 134.162,913 148.814,915 0.59,916 0.346,917 0.184,918 0.095,919 17,920 8,921 0.083,922 3,923 1,924 1.125,925 3.408,926 170.594,927 0.125,928 16,929 92.107,933 15.092,934 6.123,935 3.192,936 1.114,937 134.162,938 8.927,939 12.43,943 2.881,945 83.805,946 365.374,947 32.5,956 34.793,957 38.539,958 0.342,959 0.713,960 0.84,961 0.919,962 0.919,963 0.919,964 4.738,965 1.01,966 5.609,967 3.593,968 4.234,969 4.875,970 0.623,971 6.418,972 4.077,973 5.98,974 0.857,975 7.174,976 2.565,977 3.892,978 4.808,980 7.31,981 3.601,982 7.307,983 0.184,984 8.835,985 1.944,986 5.832,987 7.175,988 0.317,989 10.393,990 5.545,991 8.669,992 -0.19,993 10.552,994 0.454,995 6.256,996 7.887,998 12.085,999 5.837,1000 10.058,1001 -0.347,1002 12.304,1003 -0.469,1004 7.704,1005 9.76,1006 0.149,1007 14.692,1008 7.285,1009 11.469,1010 -0.45,1011 14.08,1012 -0.757,1013 8.491,1014 10.856,1016 16.729,1017 7.958,1018 12.896,1019 -0.813,1020 15.875,1021 -1.159,1022 9.739,1023 12.515,1024 0.067,1025 19.158,1026 9.187,1027 3.08,1028 -0.828,1029 17.684,1030 -2.042,1031 10.701,1032 13.808,1034 21.345,1035 10.053,1036 2.962,1037 10.175,1038 19.505,1039 -2.435,1040 11.865,1041 15.369,1042 0.03,1043 23.7,1044 11.184,1045 2.403,1046 9.636,1047 21.334,1048 4.491,1049 12.907,1050 16.761,1052 25.952,1053 12.146,1054 2.044,1055 6.876,1056 23.17,1057 3.986,1058 14.038,1059 18.28,1060 0.013,1061 28.277,1062 13.234,1063 1.964,1064 5.803,1065 25.012,1066 3.231,1067 15.117,1068 19.72,1070 30.558,1071 14.245,1072 1.879,1073 5.755,1074 26.859,1075 2.811,1076 16.235,1077 21.221,1078 0.006,1079 32.871,1080 15.316,1081 1.505,1082 5.104,1083 28.709,1084 2.699,1085 17.331,1086 22.687,1088 35.164,1089 16.352,1090 4878,1091 9413,1092 15.72,1093 24.796,1094 36.044,1095 36.839,1096 37.264,1097 36.033,1098 35.778,1099 48.867,1100 1.315,1101 103.811,1102 32.685,1103 5.373,1104 5.361,1105 6.048,1106 5.105,1107 5.08,1108 7.491,1109 1.315,1110 17.069,1111 4.933,1112 11.612,1113 1.502,1114 1.535,1115 1.553,1116 1.501,1117 1.491,1118 2.036,1119 0.055,1120 4.325,1121 1.362,1122 4.054,1123 4.097,1124 4.106,1125 3.929,1126 5.323,1127 3.946,1128 3.902,1129 3.925,1130 4.01,1131 3.843,1132 5.023,1133 3.838,1134 3.525,1135 3.593,1136 3.582,1137 3.339,1138 4.987,1139 3.359,1140 3.193,1141 3.28,1142 3.46,1143 2.987,1144 4.774,1145 2.997,1146 3.111,1147 3.228,1148 3.08,1149 2.849,1150 4.632,1151 2.847,1152 2.901,1153 2.918,1154 3.041,1155 2.81,1156 4.251,1157 2.815,1158 2.82,1159 2.882,1160 2.993,1161 2.695,1162 4.115,1163 2.685,1164 2.617,1165 2.739,1166 2.568,1167 2.321,1168 3.956,1169 2.333,1170 0.189,1171 0.14,1172 0.271,1173 0.168,1174 0.128,1175 4.541,1176 0.187,1177 3.361,1178 0.027,1179 6.502,1180 0.424,1181 4.032,1182 0.122,1183 3.08,1184 4.491,1185 0.657,1186 10.175,1187 2.933,1188 1.971,1189 1.936,1190 2.03,1191 2.121,1192 1.135,1193 2.096,1194 1.869,1195 1.85,1196 1.926,1197 1.951,1198 1.04,1199 1.958,1200 1.459,1201 1.398,1202 1.619,1203 1.683,1204 0.741,1205 1.672,1206 1.148,1207 1.07,1208 1.389,1209 1.408,1210 0.337,1211 1.412,1212 0.998,1213 0.896,1214 1.272,1215 1.383,1216 0.105,1217 1.364,1218 0.849,1219 0.827,1220 1,1221 0.987,1222 0.104,1223 1.004,1224 0.79,1225 0.74,1226 0.975,1227 0.962,1229 0.998,1230 0.556,1231 0.439,1232 0.907,1233 0.903,1235 0.918,1236 3.892,1238 5.22,1240 6.749,1242 8.373,1244 10.045,1247 12.224,1250 11.384,1252 0.434,1253 3.16,1262 23.891,1263 59.141,1264 123.39,1265 145.364,1266 158.974,1267 158.974,1268 158.974,1269 31.656,1270 6.914,1271 102.74,1272 102.74,1273 18,1274 12.257,1275 4.17,1276 3.248,1277 34.607,1278 75,1279 64,1280 0.23,1281 156.895,1282 256.28,1283 374.585,1284 8818,1285 5.9,1286 15.69,1287 0.713,1288 0.584,1289 16.69,1290 12.858,1291 10.542,1292 0.439,1293 0.299,1294 6.384,1295 9.635,1296 6.204,1297 5.116,1298 11.119,1299 7.165,1300 9.784,1301 0.288,1302 0.159,1303 10.525,1304 5.402,1305 8.056,1306 0.183,1307 0.084,1308 8.773,1309 3.683,1310 6.781,1311 0.121,1312 0.046,1313 7.529,1314 2.571,1315 5.102,1316 0.075,1317 0.022,1318 5.413,1319 1.511,1320 0.359,1321 71.857,1322 0.252,1323 21.679,1324 0.631,1325 116,1326 356.299,1327 157.197,1328 414.649,1329 550.9,1330 384,1331 136,1332 368.556,1333 170.34,1334 394.067,1335 577.27,1336 371,1337 7.086}
{0 CHEMBL549882,1 1.602,2 13.27,3 2.972,4 8.835,5 145.975,6 7.502,7 0.45,8 4.303,9 4.424,10 3.86,11 3.793,12 5.485,13 3.79,14 4.805,15 4.972,16 4.193,17 4.167,18 5.932,19 4.142,20 5.028,21 5.212,22 4.332,23 4.348,24 6.134,25 4.307,26 5.169,27 5.371,28 4.33,29 4.412,30 6.261,31 4.351,32 5.242,33 5.452,34 4.296,35 4.433,36 6.315,37 4.358,38 5.234,39 5.455,40 4.282,41 4.394,42 6.35,43 4.313,44 5.215,45 5.45,46 4.303,47 4.317,48 6.402,49 4.247,50 5.112,51 5.323,52 4.204,53 4.237,54 6.27,55 4.186,56 0.124,57 0.995,58 13.726,59 5.805,60 19.862,61 7.487,62 0.441,63 1.516,64 25.333,65 9.626,66 45.171,67 12.643,68 0.486,69 1.862,70 31.984,71 11.662,72 56.63,73 16.072,74 0.533,75 2.047,76 38.1,77 13.383,78 73.471,79 18.382,80 0.704,81 2.094,82 42.377,83 14.424,84 80.239,85 19.717,86 0.715,87 2.038,88 42.415,89 14.555,90 88.856,91 20.359,92 0.895,93 1.907,94 43.179,95 14.452,96 116.814,97 20.545,98 0.827,99 1.771,100 38.277,101 11.898,102 100.869,103 16.306,104 48,105 55,106 0.252,107 0.635,108 0.816,109 0.88,110 0.89,111 0.904,112 3.642,113 0.886,114 -3.97,115 -3.92,116 -3.72,119 40.3,121 3,124 2,125 1,127 1,134 2,139 6,140 5,141 2,142 1,144 1,147 1,151 1,153 1,157 2,158 2,159 2,160 1,166 14,169 2,170 9,172 3,173 3,175 2,178 14,180 1,181 2,182 16,187 2,189 12,191 1,193 17,195 1,196 1,197 1,198 2,200 2,201 10,204 2,205 1,207 15,210 1,212 4,215 11,218 3,220 2,221 8,224 1,226 4,229 9,231 2,233 5,234 8,236 1,237 2,239 6,241 8,243 3,245 3,246 8,248 1,249 1,251 4,254 8,256 2,260 6,262 1,263 1,265 2,268 10,270 1,273 2688,274 25.248,275 25.248,276 25.248,277 25.248,278 25.248,279 22.602,280 30.608,281 14.962,282 25.87,283 19.572,284 19.572,285 19.572,286 19.572,287 19.572,288 15.37,289 40.027,290 6.845,291 20.386,292 4.464,293 2.031,294 0.881,295 0.47,296 0.411,297 0.321,298 4.336,302 1,303 1045,304 4.062,307 474.223,311 184.919,314 1.953,315 41.839,318 0.75,319 0.67,320 0.67,321 0.9,322 0.5,323 0.67,324 0.5,325 0.66,326 81,327 491,328 4.448,329 3.695,330 6.787,331 4.162,332 3.185,333 4.134,334 1.081,335 11.153,336 3.111,337 4.411,338 3.327,339 6.528,340 4.041,341 3.075,342 3.944,343 0.86,344 10.29,345 2.974,346 4.23,347 3.175,348 6.088,349 3.813,350 2.856,351 3.877,352 0.86,353 8.843,354 2.736,355 3.919,356 3.071,357 6.007,358 3.586,359 2.591,360 3.218,361 0.68,362 8.429,363 2.568,364 3.601,365 2.537,366 5.281,367 3.234,368 2.279,369 2.935,370 0.473,371 6.715,372 2.177,373 3.435,374 2.366,375 5.222,376 3.08,377 2.109,378 2.689,380 6.265,381 2.046,382 3.362,383 2.313,384 5.095,385 2.956,386 1.999,387 2.66,389 5.759,390 1.923,391 3.238,392 2.177,393 4.921,394 2.939,395 1.974,396 2.369,398 5.65,399 1.868,400 3.09,401 2.051,402 4.329,403 2.579,404 1.59,405 2.257,407 3.988,408 1.569,409 2.823,410 1.772,411 4.146,412 2.435,413 1.465,414 1.952,415 3.672,416 1.416,417 2.768,418 1.755,419 3.851,420 2.353,421 1.422,422 1.814,423 3.065,424 1.321,425 2.592,426 1.53,427 3.718,428 2.311,429 1.326,430 1.587,431 2.936,432 1.304,433 2.435,434 1.423,435 3.613,436 1.982,437 1.091,438 1.26,439 2.434,440 0.958,441 2.257,442 1.08,443 3.288,444 1.866,445 0.898,446 1.167,448 1.96,449 0.865,450 2.005,451 0.996,452 3.109,453 1.481,454 0.508,455 0.726,457 1.128,458 0.489,459 17.233,460 0.466,461 0.815,462 0.022,463 48.25,464 1.304,465 24.5,466 0.662,467 23.75,468 0.642,469 33.301,470 0.9,471 40.367,472 0.602,473 43.354,474 1.172,475 9.915,476 0.268,477 8.029,478 0.217,479 0.143,481 0.342,485 0.9,486 1.228,487 0.812,488 1.077,489 0.891,490 0.946,491 0.992,492 0.972,493 0.858,494 0.921,495 0.732,496 0.883,497 0.861,498 1.157,499 0.91,500 1.051,501 0.802,502 0.993,503 1.042,504 1.074,505 1.048,506 1.096,507 0.986,508 1.072,509 1.219,510 1.043,511 1.129,512 1.063,513 1.124,514 1.082,515 0.946,516 1.053,517 1.009,518 1.108,519 1.148,520 1.077,521 0.768,522 0.998,523 0.768,524 0.993,525 0.97,526 0.91,527 1.372,528 0.997,529 1.075,530 0.96,531 1.537,532 0.971,533 7,534 0.318,535 4.444,536 2.938,537 2.524,538 1.257,539 1.057,540 0.715,541 0.505,542 0.439,543 20262,544 57420,545 2.039,546 44.8,547 2,548 17,550 2,551 5,553 4,555 1.785,556 1.897,557 3.678,558 2.243,564 107.33,565 1.602,566 4.035,567 5.185,568 5.596,569 5.655,570 5.745,571 3.098,572 4.939,573 5.183,574 3.861,575 2571.36,576 9.141,577 42048.7,582 406.428,583 1.446,584 5.134,585 0.175,586 0.007,587 0.081,588 0.047,589 0.042,590 0.022,591 0.019,592 0.013,593 0.01,594 0.009,595 0.425,596 0.17,597 0.75,598 1.142,599 203.41,600 -0.07,601 -0.006,602 0.028,603 0.007,604 -0.129,605 0.033,606 -0.008,607 0.136,608 0.057,609 0.121,610 0.021,611 0.094,612 0.011,613 -0.064,614 0.004,615 -0.019,616 -0.002,617 -0.007,618 -0.111,619 -0.021,620 -0.106,621 -0.086,622 -0.071,623 -0.09,624 -0.166,625 -0.043,626 -0.158,627 -0.057,628 -0.128,629 -0.099,630 0.028,631 -0.075,632 -0.035,633 -0.101,634 -0.024,635 -0.08,636 0.281,637 -0.083,638 0.241,639 0.009,640 0.244,641 0.098,642 -0.089,643 -0.02,644 -0.06,645 0.01,646 -0.155,647 -0.019,648 1.962,649 6.307,650 0.595,651 40.755,652 1.008,653 1.131,654 2.738,655 7.495,656 0.657,657 3.714,658 4.025,659 4.317,660 4.585,661 4.82,662 4.875,663 4.984,664 5.063,665 5.176,666 5.193,667 7.912,668 0.631,669 502.63,670 3.714,671 5.252,672 6.107,673 6.987,674 7.861,675 8.748,676 9.628,677 10.517,678 11.4,679 12.29,680 9,684 2,687 1,689 1,690 2,695 7,696 2,700 9,702 18,711 2,716 2,718 67,719 21,720 2,721 40,723 70,724 27,725 16,726 6,727 6,728 4,729 4,730 5,732 1,734 1,736 1,739 4,741 20,742 7,744 3,748 1,749 3,750 1,751 1,757 30,758 10,759 5,760 10,764 6,769 0.75,770 4,771 1,776 1,781 4,785 1,795 2,800 1,802 3,806 2,810 37,811 2,815 1,816 4,818 2,820 1,821 1,829 6,830 1,832 1,834 2,836 19.5,837 12.333,838 8.444,839 3.693,840 4.324,841 1.532,842 0.953,843 8.64,844 12.459,845 3.97,846 4.538,847 5.113,848 5.659,849 6.196,850 6.403,851 6.751,852 7.087,853 7.48,854 7.731,855 0.889,856 62,857 13.652,859 5.738,860 7.851,861 25.658,863 20.565,865 2.351,866 87,870 294.278,871 158.621,872 119.03,874 89.828,877 158.621,878 384.106,879 119.03,880 21.766,881 10.605,882 184.288,883 96.01,884 74.125,885 4.227,886 270.735,888 294.278,889 277.651,890 89.828,893 247.193,894 94.229,895 42.683,897 38.215,898 177.865,899 61.571,901 294.278,902 208.858,903 158.621,906 294.278,907 42.95,908 118.673,910 205.856,911 294.278,912 208.858,913 158.621,915 0.57,916 0.347,917 0.196,918 0.11,919 24,920 12,921 0.129,922 9,923 1,924 1.091,925 4.567,926 356.743,927 0.091,928 22,929 192.75,933 26.453,934 12.084,935 6.037,937 208.858,938 13.127,939 8.047,943 5.571,945 108.478,946 661.757,947 52,951 13.307,952 4.813,953 4.416,954 -0.295,956 67.523,957 75.81,958 0.264,959 0.665,960 0.855,961 0.922,962 0.932,963 0.947,964 5.207,965 1.974,966 6.089,967 5.759,968 4.71,969 5.226,970 2.037,971 6.913,972 4.639,973 6.406,974 1.59,975 7.657,976 5.65,977 4.29,978 4.987,980 7.854,981 4.198,982 7.709,983 1.465,984 9.326,985 3.988,986 6.312,987 7.384,988 1.864,989 10.964,990 6.186,991 9.048,992 1.422,993 11.056,994 3.672,995 6.723,996 7.952,998 12.733,999 6.569,1000 10.418,1001 1.326,1002 12.824,1003 3.065,1004 8.201,1005 9.819,1006 1.797,1007 15.364,1008 8.022,1009 11.81,1010 1.091,1011 14.619,1012 2.936,1013 8.999,1014 10.775,1016 17.478,1017 8.788,1018 13.219,1019 0.898,1020 16.433,1021 2.434,1022 10.262,1023 12.409,1024 1.795,1025 19.945,1026 10.029,1027 3.185,1028 0.508,1029 18.262,1030 1.96,1031 11.241,1032 13.567,1034 22.208,1035 10.977,1036 3.075,1037 11.153,1038 20.101,1039 1.128,1040 12.419,1041 15.086,1042 1.838,1043 24.619,1044 12.132,1045 2.856,1046 10.29,1047 21.95,1048 4.134,1049 13.482,1050 16.351,1052 26.949,1053 13.164,1054 2.591,1055 8.843,1056 23.806,1057 3.944,1058 14.628,1059 17.812,1060 1.912,1061 29.342,1062 14.286,1063 2.279,1064 8.429,1065 25.669,1066 3.877,1067 15.729,1068 19.136,1070 31.703,1071 15.358,1072 2.109,1073 6.715,1074 27.536,1075 3.218,1076 16.866,1077 20.565,1078 2.007,1079 34.092,1080 16.47,1081 1.999,1082 6.265,1083 29.409,1084 2.935,1085 17.985,1086 21.922,1088 36.47,1089 17.562,1090 19552,1091 33064,1092 26.353,1093 43.989,1094 59.542,1095 60.948,1096 62.009,1097 58.586,1098 58.654,1099 75.382,1100 7.907,1101 168.035,1102 56.385,1103 5.339,1104 5.695,1105 6.646,1106 5.231,1107 5.185,1108 7.134,1109 2.162,1110 18.522,1111 5.111,1112 20.485,1113 1.489,1114 1.524,1115 1.55,1116 1.465,1117 1.466,1118 1.885,1119 0.198,1120 4.201,1121 1.41,1122 4.042,1123 4.073,1124 3.995,1125 3.956,1126 7.429,1127 3.961,1128 3.97,1129 3.999,1130 3.923,1131 3.897,1132 6.456,1133 3.899,1134 3.825,1135 3.869,1136 3.792,1137 3.67,1138 5.291,1139 3.693,1140 3.641,1141 3.69,1142 3.557,1143 3.498,1144 4.98,1145 3.499,1146 3.55,1147 3.59,1148 3.423,1149 3.385,1150 4.926,1151 3.391,1152 3.319,1153 3.38,1154 3.206,1155 3.122,1156 4.849,1157 3.135,1158 3.304,1159 3.362,1160 3.184,1161 3.069,1162 4.501,1163 3.09,1164 3.223,1165 3.294,1166 3.033,1167 2.935,1168 4.461,1169 2.943,1170 0.111,1171 0.092,1172 0.17,1173 0.104,1174 0.08,1175 4.448,1176 0.103,1177 3.695,1178 0.027,1179 6.787,1180 0.279,1181 4.162,1182 0.078,1183 3.185,1184 4.134,1185 1.081,1186 11.153,1187 3.111,1188 1.979,1189 1.953,1190 2.081,1191 2.087,1192 1.344,1193 2.084,1194 1.95,1195 1.93,1196 2.038,1197 2.051,1198 1.23,1199 2.045,1200 1.751,1201 1.71,1202 1.866,1203 1.933,1204 1.073,1205 1.906,1206 1.628,1207 1.575,1208 1.834,1209 1.805,1210 0.922,1211 1.826,1212 1.492,1213 1.458,1214 1.645,1215 1.698,1216 0.707,1217 1.679,1218 1.26,1219 1.2,1220 1.575,1221 1.539,1222 0.611,1223 1.549,1224 1.244,1225 1.184,1226 1.561,1227 1.526,1228 0.574,1229 1.538,1230 1.175,1231 1.096,1232 1.466,1233 1.455,1234 0.556,1235 1.464,1236 4.394,1238 5.707,1240 7.228,1242 8.85,1244 10.525,1246 3.089,1250 11.631,1251 9.388,1252 1.598,1254 11.13,1256 -0.276,1257 1.453,1262 42.309,1263 107.33,1264 270.341,1265 347.408,1266 374.918,1267 378.918,1268 384.918,1269 83.236,1270 8.134,1271 149.18,1272 149.18,1273 24,1274 12.82,1275 4.459,1276 3.7,1277 64.641,1278 176,1279 182,1280 0.175,1281 261.812,1282 463,1283 630.581,1284 43508,1286 26.363,1287 0.713,1288 0.562,1289 26.363,1290 20.795,1291 17.943,1292 0.449,1293 0.295,1294 11.608,1295 17.122,1296 11.313,1297 9.422,1298 17.943,1299 11.816,1300 15.54,1301 0.283,1302 0.155,1303 15.54,1304 8.507,1305 13.277,1306 0.179,1307 0.083,1308 13.277,1309 6.117,1310 11.216,1311 0.116,1312 0.045,1313 11.216,1314 4.348,1315 9.186,1316 0.075,1317 0.025,1318 9.186,1319 3.017,1320 0.277,1321 113.607,1322 0.195,1323 33.593,1324 0.478,1325 190,1326 588.561,1327 209.929,1328 563.757,1329 766.47,1330 528,1331 224,1332 558.38,1333 244.237,1334 567.394,1335 824.96,1336 530,1337 4.602}
{0 CHEMBL550083,1 1.543,2 13.975,3 4.939,4 24.394,5 159.827,6 7.638,7 0.545,8 4.347,9 4.465,10 3.934,11 3.895,12 5.528,13 3.884,14 4.839,15 4.999,16 4.286,17 4.273,18 5.967,19 4.246,20 5.046,21 5.204,22 4.422,23 4.455,24 6.177,25 4.412,26 5.223,27 5.423,28 4.419,29 4.51,30 6.314,31 4.446,32 5.272,33 5.48,34 4.414,35 4.529,36 6.354,37 4.462,38 5.249,39 5.45,40 4.391,41 4.511,42 6.379,43 4.436,44 5.269,45 5.502,46 4.38,47 4.456,48 6.361,49 4.375,50 5.178,51 5.386,52 4.318,53 4.388,54 6.305,55 4.327,56 0.076,57 1.032,58 13.524,59 6.061,60 15.607,61 7.664,62 0.358,63 1.599,64 24.933,65 10.137,66 35.958,67 12.993,68 0.33,69 1.964,70 29.959,71 12.243,72 44.517,73 16.057,74 0.403,75 2.234,76 39.034,77 14.687,78 63.54,79 19.578,80 0.517,81 2.267,82 42.493,83 15.446,84 68.324,85 20.363,86 0.537,87 2.216,88 40.743,89 15.406,90 77.744,91 20.464,92 0.71,93 2.174,94 44.285,95 16.185,96 85.823,97 22.407,98 0.677,99 2.036,100 39.221,101 13.567,102 83.95,103 17.97,104 41,105 62,106 0.238,107 0.587,108 0.763,109 0.845,110 0.871,111 0.884,112 3.718,113 0.866,114 -5.27,115 -5.16,116 -4.82,119 44.3,120 1,121 1,124 2,127 1,134 2,139 10,140 7,141 2,142 1,144 1,147 1,151 1,153 1,157 2,158 2,159 2,160 1,166 20,169 2,170 9,172 3,173 3,175 1,178 22,180 1,181 2,182 17,187 1,189 18,191 1,193 20,195 1,196 1,197 1,198 2,200 2,201 15,204 2,205 1,207 19,212 3,215 19,218 3,220 2,221 12,226 2,229 20,231 2,233 5,234 10,236 1,237 1,239 3,241 18,243 3,245 3,246 9,248 1,249 1,251 2,254 16,256 2,260 7,262 1,263 1,265 1,268 16,270 1,273 3158,274 27.187,275 27.187,276 27.187,277 27.187,278 27.187,279 23.79,280 33.553,281 15.811,282 27.768,283 21.573,284 21.573,285 21.573,286 21.573,287 21.573,288 16.311,289 41.924,290 7.312,291 22.317,292 4.586,293 2.331,294 1.187,295 0.655,296 0.489,297 0.404,298 4.421,302 1,303 1214,304 3.808,307 607.427,311 195.67,314 1.879,315 36.84,318 0.75,319 0.67,320 0.83,321 0.5,323 0.83,324 1,325 0.65,326 86,327 559,328 4.494,329 3.765,330 6.968,331 4.243,332 3.265,333 4.135,334 1.26,335 11.832,336 3.193,337 4.439,338 3.333,339 6.528,340 4.042,341 3.076,342 4.008,343 0.922,344 10.291,345 2.975,346 4.23,347 3.29,348 6.088,349 3.813,350 2.856,351 3.877,352 0.86,353 8.843,354 2.736,355 3.992,356 3.071,357 6.013,358 3.599,359 2.602,360 3.594,361 0.86,362 8.461,363 2.588,364 3.899,365 2.696,366 5.65,367 3.538,368 2.539,369 3.212,370 0.68,371 7.424,372 2.529,373 3.602,374 2.537,375 5.281,376 3.234,377 2.279,378 2.936,380 6.715,381 2.182,382 3.509,383 2.44,384 5.209,385 3.159,386 2.165,387 2.8,389 6.236,390 2.146,391 3.389,392 2.363,393 5.035,394 3.013,395 2.052,396 2.663,398 5.959,399 1.961,400 3.362,401 2.178,402 4.921,403 2.939,404 1.999,405 2.639,407 5.65,408 1.868,409 3.094,410 2.065,411 4.597,412 2.586,413 1.598,414 2.259,415 4.485,416 1.576,417 2.921,418 1.778,419 4.309,420 2.524,421 1.527,422 2.07,423 3.914,424 1.519,425 2.823,426 1.766,427 4.145,428 2.353,429 1.422,430 1.952,431 3.671,432 1.321,433 2.759,434 1.53,435 3.797,436 2.311,437 1.326,438 1.781,439 2.975,440 1.304,441 2.5,442 1.42,443 3.625,444 2,445 1.085,446 1.5,448 2.441,449 1,450 2.435,451 1.017,452 3.461,453 1.976,454 1,455 1.259,457 2.275,458 0.952,459 18.9,460 0.473,461 0.972,462 0.024,463 56,464 1.4,465 30.5,466 0.763,467 25.5,468 0.638,469 34.634,470 0.866,471 41.7,472 0.596,473 51.07,474 1.277,475 11.559,476 0.289,477 7.813,478 0.195,479 0.139,481 0.365,485 0.845,486 1.134,487 0.777,488 1.002,489 0.846,490 0.893,491 0.975,492 0.896,493 0.801,494 0.848,495 0.66,496 0.815,497 0.866,498 1.227,499 0.969,500 1.141,501 0.843,502 1.079,503 1.067,504 1.065,505 1.02,506 1.073,507 1.025,508 1.043,509 1.312,510 0.979,511 1.045,512 0.962,513 1.122,514 0.965,515 1.076,516 1.062,517 1.057,518 1.099,519 1.397,520 1.082,521 0.785,522 0.951,523 0.801,524 0.948,525 1.069,526 0.898,527 1.328,528 0.973,529 1.064,530 0.964,531 1.508,532 0.977,533 8,534 0.355,535 4.889,536 3.188,537 2.947,538 1.389,539 1.175,540 0.905,541 0.575,542 0.509,543 25496,544 67677,545 2.077,546 42.9,547 5,548 19,550 2,551 4,555 1.804,556 1.935,557 3.726,558 1.406,564 107.998,565 1.543,566 3.799,567 4.942,568 5.474,569 5.64,570 5.726,571 3.137,572 4.684,573 5.296,574 3.905,575 3045.58,576 9.37,577 52088.7,582 429.05,583 1.441,584 5.248,585 0.182,586 0.007,587 0.079,588 0.046,589 0.044,590 0.021,591 0.018,592 0.014,593 0.01,594 0.009,595 0.43,597 0.75,598 0.76,599 224.375,600 -0.029,601 0.014,602 0.042,603 0.008,604 -0.128,605 0.034,606 0.045,607 0.176,608 0.101,609 0.152,610 0.069,611 0.13,612 0.04,613 -0.149,614 -0.084,615 -0.141,616 -0.006,617 -0.131,618 -0.077,619 -0.043,620 -0.069,621 -0.087,622 -0.027,623 -0.076,624 -0.176,625 0.008,626 -0.063,627 0.028,628 -0.061,629 0.006,630 -0.012,631 -0.076,632 -0.091,633 -0.1,634 -0.067,635 -0.104,636 0.257,637 -0.022,638 0.212,639 0.057,640 0.156,641 0.114,642 -0.038,643 0.018,644 -0.058,645 0.006,646 -0.107,647 -0.024,648 1.945,649 6.647,650 0.7,651 43.893,652 1.003,653 1.123,654 4.038,655 16.308,656 0.679,657 3.807,658 4.143,659 4.443,660 4.727,661 4.997,662 5.063,663 5.209,664 5.338,665 5.438,666 5.472,667 8.157,668 0.651,669 534.67,670 3.807,671 5.361,672 6.225,673 7.114,674 7.995,675 8.889,676 9.778,677 10.674,678 11.567,679 12.465,680 8.6,684 2,687 1,689 1,690 2,695 11,696 2,700 11,702 24,711 2,716 2,718 70,719 27,720 3,721 44,723 74,724 31,725 22,726 8,727 10,728 4,729 5,730 6,732 1,734 1,736 1,739 2,741 26,742 5,744 3,748 1,749 3,750 1,751 1,757 30,758 9,759 4,760 9,764 6,769 0.8,770 3,776 1,781 5,785 1,795 2,802 4,806 3,810 40,811 2,816 1,818 2,820 1,821 1,829 4.3,832 1,834 2,836 20.667,837 13.467,838 8.889,839 3.815,840 5.341,841 1.624,842 0.994,843 8.035,844 13.901,845 4.094,846 4.7,847 5.286,848 5.849,849 6.421,850 6.637,851 7.024,852 7.425,853 7.821,854 8.107,855 1,856 69,857 14.741,859 6.248,860 7.746,861 27.885,863 22.6,865 2.246,866 89.833,870 306.049,871 206.653,872 119.03,874 47.145,877 206.653,878 353.193,879 119.03,880 30.591,881 5.536,882 179.509,883 96.01,884 80.496,885 4.227,886 282.506,888 306.049,889 325.683,890 47.145,893 306.049,894 47.145,897 41.971,898 222.141,899 61.571,901 306.049,902 166.175,903 206.653,906 306.049,907 44.252,908 165.403,910 163.173,911 306.049,912 166.175,913 206.653,915 0.581,916 0.351,917 0.196,918 0.112,919 29,920 14,921 0.095,922 7,923 1,924 1.071,925 4.787,926 411.311,927 0.071,928 28,929 208.877,933 27.225,934 11.805,935 5.827,937 166.175,938 21.47,939 8.096,943 7.782,945 65.794,946 678.877,947 59,951 13.647,952 4.918,953 4.543,954 -0.279,956 70.196,957 78.6,958 0.252,959 0.62,960 0.806,961 0.893,962 0.92,963 0.934,964 5.338,965 2.052,966 6.217,967 6.236,968 4.828,969 5.389,970 2.212,971 7.05,972 4.769,973 6.554,974 1.999,975 7.79,976 5.959,977 4.443,978 5.156,979 0.747,980 8.005,981 4.364,982 7.864,983 1.598,984 9.463,985 5.65,986 6.444,987 7.569,988 2.14,989 11.123,990 6.337,991 9.207,992 1.527,993 11.195,994 4.485,995 6.868,996 8.115,997 1.15,998 12.922,999 6.734,1000 10.579,1001 1.422,1002 12.966,1003 3.914,1004 8.341,1005 10.003,1006 2.218,1007 15.576,1008 8.186,1009 11.971,1010 1.326,1011 14.765,1012 3.671,1013 9.145,1014 10.93,1015 1.554,1016 17.74,1017 8.958,1018 13.38,1019 1.085,1020 16.584,1021 2.975,1022 10.411,1023 12.58,1024 2.412,1025 20.244,1026 10.204,1027 3.265,1028 1,1029 18.42,1030 2.441,1031 11.397,1032 13.713,1033 1.989,1034 22.569,1035 11.16,1036 3.076,1037 11.832,1038 20.27,1039 2.275,1040 12.583,1041 15.242,1042 2.693,1043 25.028,1044 12.324,1045 2.856,1046 10.291,1047 22.13,1048 4.135,1049 13.657,1050 16.489,1051 2.447,1052 27.423,1053 13.369,1054 2.602,1055 8.843,1056 24,1057 4.008,1058 14.815,1059 17.955,1060 3.034,1061 29.872,1062 14.505,1063 2.539,1064 8.461,1065 25.878,1066 3.877,1067 15.931,1068 19.267,1069 2.917,1070 32.3,1071 15.593,1072 2.279,1073 7.424,1074 27.763,1075 3.594,1076 17.083,1077 20.699,1078 3.415,1079 34.751,1080 16.722,1081 2.165,1082 6.715,1083 29.654,1084 3.212,1085 18.219,1086 22.047,1087 3.391,1088 37.195,1089 17.834,1090 24084,1091 39428,1092 29.244,1093 47.534,1094 66.526,1095 67.68,1096 68.81,1097 65.312,1098 65.421,1099 86.483,1100 9.163,1101 190.686,1102 63.331,1103 5.366,1104 5.765,1105 6.652,1106 5.312,1107 5.265,1108 7.135,1109 2.347,1110 19.203,1111 5.193,1112 21.518,1113 1.512,1114 1.538,1115 1.564,1116 1.484,1117 1.487,1118 1.966,1119 0.208,1120 4.334,1121 1.439,1122 4.067,1123 4.097,1124 4.02,1125 3.992,1126 7.429,1127 3.993,1128 3.981,1129 4.007,1130 3.938,1131 3.911,1132 5.292,1133 3.913,1134 3.847,1135 3.88,1136 3.793,1137 3.793,1138 4.98,1139 3.785,1140 3.825,1141 3.867,1142 3.777,1143 3.67,1144 4.93,1145 3.694,1146 3.588,1147 3.621,1148 3.537,1149 3.422,1150 4.869,1151 3.443,1152 3.328,1153 3.388,1154 3.226,1155 3.191,1156 4.696,1157 3.189,1158 3.316,1159 3.373,1160 3.189,1161 3.073,1162 4.501,1163 3.094,1164 3.229,1165 3.298,1166 3.049,1167 3.03,1168 4.461,1169 3.029,1170 0.102,1171 0.086,1172 0.158,1173 0.096,1174 0.074,1175 4.494,1176 0.094,1177 3.765,1178 0.029,1179 6.968,1180 0.269,1181 4.243,1182 0.073,1183 3.265,1184 4.135,1185 1.26,1186 11.832,1187 3.193,1188 2.011,1189 1.986,1190 2.105,1191 2.103,1192 1.286,1193 2.103,1194 1.954,1195 1.937,1196 2.039,1197 2.054,1198 1.23,1199 2.048,1200 1.857,1201 1.829,1202 1.983,1203 1.94,1204 1.078,1205 1.955,1206 1.75,1207 1.71,1208 1.835,1209 1.931,1210 0.922,1211 1.906,1212 1.516,1213 1.484,1214 1.655,1215 1.711,1216 0.74,1217 1.691,1218 1.312,1219 1.257,1220 1.578,1221 1.54,1222 0.625,1223 1.549,1224 1.247,1225 1.186,1226 1.573,1227 1.529,1228 0.574,1229 1.543,1230 1.185,1231 1.113,1232 1.542,1233 1.469,1234 0.56,1235 1.495,1236 4.489,1238 5.82,1240 7.356,1242 8.987,1244 10.67,1246 5.154,1250 11.698,1252 0.434,1254 11.232,1256 -0.366,1257 1.503,1262 45.594,1263 107.998,1264 265.898,1265 345.956,1266 383.176,1267 394.785,1268 400.785,1269 76.519,1270 8.56,1271 128.95,1272 128.95,1273 30,1274 12.989,1275 4.807,1276 4,1277 63.679,1278 199,1279 208,1280 0.154,1281 280.01,1282 492.23,1283 674.983,1284 74800,1286 28.225,1287 0.706,1288 0.563,1289 28.225,1290 22.536,1291 19.372,1292 0.44,1293 0.289,1294 12.516,1295 18.641,1296 12.113,1297 10.129,1298 19.372,1299 12.701,1300 17.331,1301 0.28,1302 0.152,1303 17.331,1304 9.439,1305 14.88,1306 0.177,1307 0.08,1308 14.88,1309 6.759,1310 12.597,1311 0.112,1312 0.043,1313 12.597,1314 4.761,1315 10.659,1316 0.073,1317 0.023,1318 10.659,1319 3.415,1320 0.243,1321 121.47,1322 0.185,1323 35.646,1324 0.422,1325 212,1326 612.412,1327 230.49,1328 597.333,1329 824.63,1330 560,1331 252,1332 614.865,1333 271.407,1334 629.718,1335 916.5,1336 588,1337 4.602}
{0 CHEMBL55012,1 1.581,2 10.792,3 2.147,4 4.61,5 95.004,6 7.676,7 0.654,8 3.843,9 3.981,10 3.425,11 3.354,12 5.047,13 3.351,14 4.318,15 4.506,16 3.79,17 3.71,18 5.507,19 3.694,20 4.516,21 4.702,22 3.852,23 3.849,24 5.726,25 3.816,26 4.602,27 4.818,28 3.725,29 3.854,30 5.73,31 3.768,32 4.638,33 4.9,34 3.52,35 3.771,36 5.643,37 3.646,38 4.497,39 4.789,40 3.372,41 3.601,42 5.412,43 3.47,44 4.231,45 4.467,46 3.369,47 3.484,48 5.252,49 3.406,50 4.248,51 4.466,52 3.254,53 3.432,54 5.418,55 3.346,56 0.057,57 0.68,58 8.141,59 3.156,60 11.901,61 4.334,62 0.203,63 1.023,64 14.752,65 5.318,66 22.448,67 7.467,68 0.313,69 1.202,70 18.239,71 6.158,72 38.801,73 8.472,74 0.231,75 1.217,76 20.796,77 7.502,78 38.442,79 10.694,80 0.302,81 1.166,82 23.532,83 7.588,84 49.866,85 11.351,86 0.374,87 0.984,88 21.515,89 6.675,90 39.166,91 10.249,92 0.143,93 0.82,94 14.836,95 5.137,96 18.941,97 7.517,98 0.27,99 0.809,100 15.146,101 4.719,102 45.009,103 6.589,104 27,105 37,106 0.275,107 0.642,108 0.777,109 0.842,110 0.842,111 0.842,112 3.228,113 0.859,114 -3.52,115 -3.49,116 -3.33,119 40.5,120 1,124 1,125 1,139 6,140 1,141 1,143 3,144 1,147 1,152 1,157 2,158 2,159 2,166 5,169 1,170 6,172 3,173 3,178 5,181 3,182 7,184 1,185 1,189 4,193 5,195 1,196 1,197 1,198 2,200 2,201 2,204 2,205 1,207 3,209 1,210 1,212 2,215 2,218 2,220 3,221 3,223 1,224 1,229 4,234 1,241 3,246 4,248 1,249 1,251 2,254 1,256 2,259 1,260 6,265 2,268 1,270 2,273 770,274 15.74,275 15.74,276 15.74,277 15.74,278 15.74,279 13.56,280 18.979,281 9.068,282 16.028,283 12.8,284 12.8,285 12.8,286 12.8,287 12.8,288 9.496,289 25.07,290 4.293,291 13.296,292 3.811,293 1.709,294 0.929,295 0.56,296 0.56,297 0.56,298 3.905,300 1,301 1,302 1,303 550,304 3.24,307 209.273,311 110.304,314 1.642,315 22.857,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 52,327 259,328 4.542,329 3.545,330 6.503,331 4.036,332 3.083,333 4.491,334 1.277,335 10.18,336 2.938,337 4.206,338 3.176,339 6.08,340 3.853,341 2.873,342 3.786,343 0.916,344 8.771,345 2.841,346 3.903,347 3.038,348 5.873,349 3.618,350 2.633,351 3.274,352 0.172,353 8.025,354 2.562,355 3.711,356 2.528,357 5.295,358 3.282,359 2.33,360 3.114,362 6.793,363 2.222,364 3.428,365 2.189,366 5.062,367 2.967,368 2.036,369 2.811,371 5.803,372 1.886,373 3.368,374 2.075,375 4.972,376 2.904,377 1.955,378 2.692,380 5.758,381 1.851,382 2.897,383 1.986,384 4.166,385 2.494,386 1.496,387 1.943,389 3.699,390 1.483,391 2.5,392 1.359,393 3.712,394 2.033,395 1.034,396 1.5,398 2.594,399 1.026,400 2.461,401 1.058,402 3.675,403 2,404 1,405 1.44,407 2.565,408 1,409 2.392,410 1,411 3.414,412 1.947,413 1,414 1.334,415 2.275,416 0.944,417 1.498,418 0.414,419 2.882,420 1.112,421 0.172,422 0.216,423 0.432,424 0.161,425 0.997,426 0.319,427 2.654,428 0.578,429 -0.368,430 -0.458,431 -0.98,432 -0.344,433 0.925,434 -0.181,435 2.501,436 0.471,437 -0.468,438 -0.593,439 -1.172,440 -0.434,441 0.715,442 -0.305,443 2.239,444 0.377,445 -0.577,446 -0.696,448 -1.356,449 -0.554,450 0.512,451 -0.385,452 2,453 0.132,454 -0.815,455 -1.09,457 -2,458 -0.77,459 11.233,460 0.468,461 0.736,462 0.031,463 35,464 1.458,465 19,466 0.792,467 16,468 0.667,469 15.888,470 0.662,471 25.367,472 0.604,473 25.422,474 1.059,475 7.038,476 0.293,477 4.397,478 0.183,479 0.19,481 0.392,485 0.911,486 1.345,487 0.792,488 1.016,489 0.874,490 0.894,491 0.716,492 1.003,493 0.69,494 0.875,495 0.497,496 0.789,497 1.19,498 1.033,499 1.076,500 1.018,501 1.101,502 1.03,503 0.873,504 1.227,505 1.084,506 1.278,507 0.811,508 1.232,509 0.901,510 1.045,511 1.101,512 1.114,513 0.89,514 1.136,515 0.6,516 0.673,517 0.893,518 0.807,519 0.556,520 0.875,521 0.812,522 1.071,523 0.902,524 1.047,525 0.613,526 0.994,527 1.574,528 1.056,529 1.373,530 1.138,531 1.816,532 1.225,533 6,534 0.14,535 3.111,536 1.813,537 1.64,538 0.681,539 0.506,540 0.326,541 0.258,542 0.127,543 6458,544 18871,545 2.015,546 42.9,548 11,551 4,552 3,555 1.665,556 1.846,557 3.388,558 1.819,559 1,560 1,562 1,564 66.422,565 1.581,566 3.683,567 4.463,568 4.833,569 4.833,570 4.833,571 2.887,572 4.085,573 4.556,574 3.542,575 977.475,576 7.84,577 11579.4,578 1,579 1,581 1,582 226.477,583 1.528,584 4.493,585 0.231,586 0.011,587 0.084,588 0.048,589 0.051,590 0.027,591 0.023,592 0.014,593 0.014,594 0.007,595 0.51,596 0.17,597 1,598 0.854,599 115.04,600 -0.135,601 -0.131,602 0.018,603 0.008,604 -0.189,605 0.038,606 0.141,607 0.115,608 0.201,609 0.122,610 0.157,611 0.161,612 -0.111,613 0.081,614 -0.171,615 -0.05,616 -0.104,617 -0.114,618 -0.026,619 -0.222,620 -0.159,621 -0.266,622 0.015,623 -0.245,624 -0.075,625 -0.115,626 -0.117,627 -0.128,628 -0.099,629 -0.13,630 0.161,631 0.226,632 0.127,633 0.167,634 0.029,635 0.147,636 -0.035,637 -0.097,638 0.045,639 -0.031,640 0.054,641 0.017,642 -0.33,643 -0.059,644 -0.402,645 -0.177,646 -0.368,647 -0.289,648 1.616,649 4.342,650 0.667,651 20.438,652 1.006,653 1.135,654 2.288,655 5.235,656 0.668,657 3.296,658 3.638,659 3.871,660 4.094,661 4.317,662 4.369,663 4.443,664 4.407,665 4.554,666 4.466,667 6.257,668 0.643,669 322.41,670 3.296,671 4.844,672 5.687,673 6.564,674 7.422,675 8.3,676 9.165,677 10.043,678 10.911,679 11.789,680 14.3,684 2,686 1,690 3,694 2,695 6,696 3,700 5,702 17,705 1,711 2,714 1,718 42,719 18,720 1,721 26,723 44,724 17,725 13,726 2,727 4,728 1,729 3,730 4,734 1,741 14,742 3,744 1,748 1,751 1,753 1,754 1,757 18,758 7,759 4,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 1,821 1,829 2.4,832 1,836 13,837 8.133,838 5.194,839 2.254,840 3.381,841 1.479,842 0.998,843 4.32,844 10.44,845 3.597,846 4.248,847 4.842,848 5.43,849 6.02,850 6.287,851 6.618,852 6.87,853 7.3,854 7.325,855 1,856 38,857 8.793,859 3.684,860 7.868,861 16.487,863 13.142,865 2.368,866 56.833,870 164.795,871 98.533,872 119.275,874 25.145,877 98.533,878 189.94,879 119.275,880 17.222,881 2.106,882 122.652,883 80.635,884 16.112,885 4.227,886 164.795,888 164.795,889 217.808,890 25.145,893 164.795,894 25.145,897 19.875,898 147.576,899 50.357,901 164.795,902 144.42,903 98.533,906 164.795,907 24.454,908 77.203,910 141.296,911 164.795,912 144.42,913 98.533,915 0.593,916 0.341,917 0.174,918 0.093,919 18,920 9,921 0.091,922 4,923 1,924 1.125,925 3.581,926 190.727,927 0.125,928 16,929 106.039,933 16.154,934 6.419,935 3.468,936 1.166,937 144.42,938 11.173,939 12.588,943 2.924,945 65.794,946 407.748,947 35.5,951 11.342,954 0.051,956 42.24,957 47.69,958 0.293,959 0.683,960 0.828,961 0.896,962 0.896,963 0.896,964 4.83,965 1.034,966 5.694,967 3.699,968 4.317,969 4.934,970 1.752,971 6.497,972 4.246,973 6.067,974 1,975 7.258,976 2.594,977 4.007,978 4.844,979 0.325,980 7.372,981 3.9,982 7.387,983 1,984 8.915,985 2.565,986 5.916,987 7.196,988 1.986,989 10.426,990 5.773,991 8.74,992 0.172,993 10.624,994 2.275,995 6.347,996 7.874,997 0.393,998 12.07,999 6.173,1000 10.119,1001 -0.368,1002 12.365,1003 0.432,1004 7.777,1005 9.745,1006 2.341,1007 14.65,1008 7.569,1009 11.518,1010 -0.468,1011 14.128,1012 -0.98,1013 8.55,1014 10.807,1015 0.384,1016 16.636,1017 8.309,1018 12.932,1019 -0.577,1020 15.907,1021 -1.172,1022 9.783,1023 12.468,1024 2.756,1025 19.04,1026 9.51,1027 3.083,1028 -0.815,1029 17.697,1030 -1.356,1031 10.723,1032 13.738,1033 0.351,1034 21.19,1035 10.413,1036 2.873,1037 10.18,1038 19.498,1039 -2,1040 11.873,1041 15.301,1042 3.203,1043 23.527,1044 11.529,1045 2.633,1046 8.771,1047 21.306,1048 4.491,1049 12.895,1050 16.682,1051 0.312,1052 25.755,1053 12.512,1054 2.33,1055 8.025,1056 23.121,1057 3.786,1058 14.012,1059 18.203,1060 3.667,1061 28.068,1062 13.592,1063 2.036,1064 6.793,1065 24.942,1066 3.274,1067 15.074,1068 19.641,1069 0.273,1070 30.337,1071 14.614,1072 1.955,1073 5.803,1074 26.767,1075 3.114,1076 16.18,1077 21.145,1078 4.143,1079 32.644,1080 15.68,1081 1.496,1082 5.758,1083 28.597,1084 2.811,1085 17.264,1086 22.612,1087 0.236,1088 34.932,1089 16.721,1090 6335,1091 10944,1092 16.819,1093 28.057,1094 39.776,1095 40.052,1096 40.655,1097 39.252,1098 39.224,1099 53.2,1100 4.733,1101 113.794,1102 37.829,1103 5.37,1104 5.545,1105 5.917,1106 5.109,1107 5.083,1108 7.491,1109 2.555,1110 17.074,1111 4.938,1112 14.038,1113 1.53,1114 1.54,1115 1.564,1116 1.51,1117 1.509,1118 2.046,1119 0.182,1120 4.377,1121 1.455,1122 4.059,1123 4.102,1124 4.032,1125 3.934,1126 7.428,1127 3.951,1128 3.935,1129 3.965,1130 3.884,1131 3.853,1132 5.323,1133 3.858,1134 3.583,1135 3.646,1136 3.504,1137 3.39,1138 4.988,1139 3.41,1140 3.42,1141 3.477,1142 3.333,1143 3.235,1144 4.789,1145 3.25,1146 3.249,1147 3.334,1148 3.086,1149 3.035,1150 4.701,1151 3.035,1152 3.114,1153 3.229,1154 3.004,1155 2.821,1156 4.241,1157 2.855,1158 2.915,1159 3.018,1160 2.722,1161 2.735,1162 4.033,1163 2.715,1164 2.854,1165 2.925,1166 2.687,1167 2.701,1168 3.903,1169 2.693,1170 0.175,1171 0.136,1172 0.25,1173 0.155,1174 0.119,1175 4.542,1176 0.173,1177 3.545,1178 0.049,1179 6.503,1180 0.392,1181 4.036,1182 0.113,1183 3.083,1184 4.491,1185 1.277,1186 10.18,1187 2.938,1188 1.977,1189 1.942,1190 2.053,1191 2.124,1192 1.176,1193 2.101,1194 1.912,1195 1.886,1196 1.997,1197 2.016,1198 1.077,1199 2.015,1200 1.52,1201 1.46,1202 1.727,1203 1.749,1204 0.834,1205 1.744,1206 1.369,1207 1.316,1208 1.615,1209 1.594,1210 0.668,1211 1.597,1212 1.228,1213 1.141,1214 1.513,1215 1.484,1216 0.542,1217 1.51,1218 1.008,1219 0.911,1220 1.291,1221 1.383,1222 0.311,1223 1.364,1224 0.92,1225 0.821,1226 1.267,1227 1.189,1228 0.218,1229 1.23,1230 0.886,1231 0.819,1232 1.181,1233 1.062,1234 0.076,1235 1.107,1236 3.97,1238 5.303,1240 6.828,1242 8.439,1244 10.096,1246 3.508,1250 11.464,1252 0.583,1257 2.034,1262 27.004,1263 66.422,1264 154.703,1265 187.458,1266 202.968,1267 202.968,1268 202.968,1269 37.578,1270 7.059,1271 111.02,1272 111.02,1273 18,1274 12.328,1275 4.248,1276 3.392,1277 39.506,1278 91,1279 84,1280 0.216,1281 170.075,1282 283.91,1283 406.744,1284 10473,1286 17.267,1287 0.719,1288 0.563,1289 17.267,1290 13.523,1291 11.436,1292 0.44,1293 0.286,1294 7.335,1295 10.992,1296 7.081,1297 5.925,1298 11.436,1299 7.446,1300 10.789,1301 0.292,1302 0.151,1303 10.789,1304 5.596,1305 8.636,1306 0.184,1307 0.08,1308 8.636,1309 3.758,1310 7.084,1311 0.12,1312 0.042,1313 7.084,1314 2.469,1315 5.483,1316 0.074,1317 0.021,1318 5.483,1319 1.576,1320 0.342,1321 71.652,1322 0.244,1323 23.582,1324 0.582,1325 126,1326 370.94,1327 138.622,1328 367.797,1329 504.53,1330 342,1331 147,1332 378.242,1333 159.43,1334 386.74,1335 559.84,1336 362,1337 8.292}
{0 CHEMBL55049,1 1.86,2 11.741,3 3.235,4 10.467,5 96.014,6 8.961,7 0.586,8 3.875,9 3.999,10 3.562,11 3.347,12 5.183,13 3.391,14 4.385,15 4.547,16 4.03,17 3.702,18 6.14,19 3.748,20 4.555,21 4.722,22 4.053,23 3.843,24 6.186,25 3.858,26 4.633,27 4.834,28 3.921,29 3.846,30 5.96,31 3.819,32 4.695,33 4.933,34 3.773,35 3.759,36 6.005,37 3.719,38 4.545,39 4.817,40 3.537,41 3.592,42 5.702,43 3.523,44 4.257,45 4.482,46 3.535,47 3.481,48 5.439,49 3.434,50 4.291,51 4.489,52 3.552,53 3.42,54 5.683,55 3.424,56 0.238,57 0.89,58 5.823,59 3.237,60 42.412,61 3.496,62 0.929,63 1.644,64 13.245,65 5.507,66 151.952,67 6.163,68 0.868,69 1.39,70 14.997,71 6.267,72 140.43,73 7.368,74 0.664,75 1.461,76 18.275,77 7.604,78 82.317,79 9.539,80 0.965,81 1.445,82 23.614,83 7.757,84 138.276,85 9.531,86 0.893,87 1.117,88 23.086,89 6.785,90 125.546,91 9.04,92 0.521,93 0.909,94 14.098,95 5.119,96 55.53,97 7.249,98 0.591,99 1.056,100 13.441,101 4.821,102 95.533,103 5.455,104 52,105 43,106 0.324,107 0.673,108 0.777,109 0.842,110 0.842,111 0.842,112 3.339,113 0.803,114 -3.87,115 -3.83,116 -3.64,119 40.5,124 1,125 1,131 1,139 6,140 1,141 1,143 3,144 1,147 1,152 1,157 2,158 2,159 2,166 5,169 1,170 5,172 3,173 3,178 4,181 3,182 7,184 1,185 1,189 2,193 5,195 1,196 1,197 1,198 2,200 2,204 2,205 1,207 3,209 1,210 1,212 2,215 2,218 2,220 3,221 2,223 1,224 1,229 4,234 1,241 3,246 4,248 1,249 1,251 2,254 1,256 2,259 1,260 5,265 2,270 2,273 1082,274 17.212,275 17.212,276 17.212,277 17.212,278 17.212,279 15.123,280 20.273,281 9.708,282 17.772,283 14.261,284 14.261,285 14.261,286 14.261,287 14.261,288 11.015,289 26,290 4.599,291 15.25,292 3.532,293 1.527,294 0.929,295 0.56,296 0.56,297 0.56,298 4.012,300 1,301 1,302 1,303 666,304 4.062,307 248.984,311 132.539,314 1.898,315 48.68,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 62.5,327 317,328 4.542,329 4.572,330 7.182,331 4.241,332 3.349,333 4.491,334 3.904,335 11.845,336 3.049,337 4.496,338 3.189,339 6.503,340 4.036,341 3.083,342 3.893,343 0.916,344 10.18,345 2.936,346 4.073,347 3.13,348 6.057,349 3.761,350 2.82,351 3.434,352 0.766,353 8.709,354 2.642,355 3.768,356 3.025,357 5.547,358 3.361,359 2.416,360 3.223,361 0.172,362 7.23,363 2.267,364 3.541,365 2.524,366 5.29,367 3.178,368 2.249,369 2.811,371 6.744,372 2.042,373 3.427,374 2.187,375 5.062,376 2.962,377 2.03,378 2.78,380 5.803,381 1.884,382 3.35,383 2.07,384 4.972,385 2.894,386 1.946,387 2.649,389 5.756,390 1.837,391 2.646,392 1.981,393 4.151,394 2.296,395 1.341,396 1.626,398 3.538,399 1.264,400 2.5,401 1.359,402 3.771,403 2,404 1.006,405 1.5,407 2.565,408 1,409 2.452,410 1.058,411 3.707,412 1.954,413 1,414 1.428,415 2.275,416 0.95,417 2.307,418 1,419 3.414,420 1.798,421 0.778,422 1.103,423 2.048,424 0.771,425 1.497,426 0.51,427 2.904,428 1.11,429 0.169,430 0.213,431 0.425,432 0.159,433 0.997,434 0.51,435 2.671,436 0.572,437 -0.373,438 -0.467,439 -0.999,440 -0.349,441 0.925,442 0.402,443 2.531,444 0.467,445 -0.474,446 -0.599,448 -1.19,449 -0.439,450 0.713,451 -0.063,452 2.443,453 0.375,454 -0.59,455 -0.747,457 -1.369,458 -0.574,459 12.09,460 0.448,461 1.025,462 0.038,463 37.25,464 1.38,465 19,466 0.704,467 18.25,468 0.676,469 18.892,470 0.7,471 29.91,472 0.712,473 31.371,474 1.162,475 7.685,476 0.285,477 4.962,478 0.184,479 0.206,480 0.041,481 0.364,482 3,485 0.673,486 1.08,487 0.64,488 1.014,489 0.689,490 0.856,491 0.471,492 0.758,493 0.574,494 0.865,495 0.397,496 0.791,497 0.504,498 0.816,499 0.829,500 1.003,501 0.393,502 1.039,503 0.625,504 0.98,505 0.905,506 1.264,507 0.551,508 1.243,509 0.987,510 1,511 1.163,512 1.106,513 0.933,514 1.182,515 0.807,516 0.69,517 1.036,518 0.797,519 0.784,520 0.948,521 0.345,522 0.633,523 0.719,524 1.021,525 0.408,526 1.051,527 1.025,528 1.033,529 1.136,530 1.142,531 1.051,532 1.179,533 8,534 0.19,535 4,536 2.313,537 1.96,538 0.764,539 0.667,540 0.483,541 0.283,542 0.207,543 8921,544 36610,545 1.963,546 35.7,548 11,551 4,555 1.695,556 1.77,557 3.491,558 1.808,559 1,560 1,564 78.122,565 1.86,566 3.865,567 4.463,568 4.833,569 4.833,570 4.833,571 2.967,572 4.357,573 4.728,574 3.693,575 1296.35,576 8.177,577 17007.7,578 1,579 1,581 1,582 226.477,583 1.74,584 4.637,585 0.276,586 0.01,587 0.093,588 0.053,589 0.052,590 0.025,591 0.027,592 0.019,593 0.011,594 0.01,595 0.574,596 0.17,597 1,598 1.033,599 135.51,600 -0.106,601 -0.117,602 -0.009,603 0.005,604 -0.152,605 0.046,606 0.373,607 0.288,608 0.23,609 0.135,610 0.402,611 0.124,612 0.181,613 0.046,614 -0.047,615 -0.045,616 0.26,617 -0.116,618 -0.002,619 -0.203,620 -0.037,621 -0.268,622 0.048,623 -0.208,624 -0.141,625 -0.135,626 -0.155,627 -0.127,628 -0.108,629 -0.139,630 -0.03,631 0.089,632 0.034,633 0.162,634 -0.069,635 0.145,636 0.208,637 0.071,638 0.192,639 -0.027,640 0.094,641 0.034,642 -0.19,643 -0.203,644 -0.222,645 -0.192,646 -0.173,647 -0.216,648 6.145,649 4.47,650 0.593,651 26.236,652 1.042,653 1.16,654 2.642,655 6.982,656 0.664,657 3.401,658 3.784,659 3.989,660 4.19,661 4.394,662 4.443,663 4.575,664 4.605,665 4.615,666 4.595,667 6.957,668 0.67,669 376.38,670 3.401,671 4.977,672 5.82,673 6.713,674 7.572,675 8.462,676 9.327,677 10.216,678 11.084,679 11.971,680 14.3,684 2,686 1,690 3,694 2,695 6,696 3,700 5,702 17,705 1,711 2,714 1,718 42,719 18,720 1,721 29,723 44,724 17,725 13,726 2,727 4,728 1,729 3,730 4,734 1,738 1,741 14,742 3,744 1,748 1,751 1,753 1,754 1,755 3,757 15,758 10,759 4,760 10,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 1,808 3,810 27,811 2,816 1,821 1,822 1,828 3,829 2.4,832 1,836 15.25,837 7.812,838 5.694,839 2.174,840 3.385,841 1.464,842 0.998,843 4.9,844 10.677,845 3.676,846 4.331,847 4.911,848 5.469,849 6.052,850 6.324,851 6.684,852 6.956,853 7.314,854 7.364,855 0.875,856 44,857 10.677,859 5.335,860 8.466,861 17.735,863 14.236,865 2.966,866 80.083,869 1,870 129.482,871 97.467,872 119.275,874 25.145,875 44.88,877 97.467,878 154.627,879 164.156,880 8.396,881 2.106,882 122.652,883 80.635,884 60.992,885 4.227,886 129.482,887 7.76,888 129.482,889 216.742,890 70.025,893 129.482,894 70.025,897 18.809,898 147.576,899 50.357,901 174.362,902 144.42,903 97.467,906 137.242,907 24.454,908 68.378,910 186.176,911 129.482,912 189.301,913 97.467,915 0.607,916 0.341,917 0.165,918 0.087,919 21,920 11,921 0.091,922 4,923 1,924 1.125,925 3.77,926 224.827,927 0.125,928 16,929 119.627,933 18.869,934 7.011,935 4.094,936 0.933,937 189.301,938 8.627,939 12.328,943 1.084,945 65.794,946 416.25,947 38.5,951 11.238,954 -1.873,956 43.778,957 48.71,958 0.345,959 0.717,960 0.828,961 0.896,962 0.896,963 0.896,964 4.943,965 1.341,966 5.878,967 5.756,968 4.466,969 5.017,970 3.243,971 6.737,972 4.343,973 6.203,974 1.006,975 7.487,976 3.538,977 4.369,978 5.017,979 3.911,980 7.904,981 4.099,982 7.546,983 1,984 9.202,985 2.565,986 6.172,987 7.282,988 5.531,989 10.903,990 5.913,991 8.922,992 0.778,993 10.977,994 2.275,995 6.804,996 8.012,997 6.78,998 12.826,999 6.4,1000 10.324,1001 0.169,1002 12.792,1003 2.048,1004 8.185,1005 9.833,1006 8.184,1007 15.438,1008 7.768,1009 11.745,1010 -0.373,1011 14.634,1012 0.425,1013 9.122,1014 10.918,1015 9.529,1016 17.666,1017 8.58,1018 13.181,1019 -0.474,1020 16.497,1021 -0.999,1022 10.361,1023 12.551,1024 10.898,1025 20.161,1026 9.777,1027 3.349,1028 -0.59,1029 18.376,1030 -1.19,1031 11.433,1032 13.828,1033 12.257,1034 22.517,1035 10.74,1036 3.083,1037 11.845,1038 20.269,1039 -1.369,1040 12.624,1041 15.376,1042 13.62,1043 24.978,1044 11.87,1045 2.82,1046 10.18,1047 22.173,1048 4.491,1049 13.756,1050 16.755,1051 14.981,1052 27.389,1053 12.902,1054 2.416,1055 8.709,1056 24.087,1057 3.893,1058 14.935,1059 18.266,1060 16.343,1061 29.843,1062 14.007,1063 2.249,1064 7.23,1065 26.008,1066 3.434,1067 16.095,1068 19.7,1069 17.705,1070 32.28,1071 15.072,1072 2.03,1073 6.744,1074 27.936,1075 3.223,1076 17.274,1077 21.197,1078 19.067,1079 34.735,1080 16.169,1081 1.946,1082 5.803,1083 29.869,1084 2.811,1085 18.448,1086 22.659,1087 20.429,1088 37.185,1089 17.249,1090 8801,1091 18042,1092 18.205,1093 27.87,1094 45.337,1095 45.1,1096 46.074,1097 44.672,1098 44.374,1099 58.301,1100 11.516,1101 134.235,1102 41.602,1103 5.378,1104 6.572,1105 6.596,1106 5.314,1107 5.349,1108 7.491,1109 5.553,1110 19.302,1111 5.049,1112 17.988,1113 1.563,1114 1.555,1115 1.589,1116 1.54,1117 1.53,1118 2.01,1119 0.397,1120 4.629,1121 1.435,1122 4.059,1123 4.103,1124 4.033,1125 3.934,1126 8.516,1127 3.952,1128 3.942,1129 3.969,1130 3.904,1131 3.853,1132 7.999,1133 3.86,1134 3.608,1135 3.661,1136 3.585,1137 3.389,1138 7.999,1139 3.418,1140 3.473,1141 3.519,1142 3.434,1143 3.231,1144 7.419,1145 3.278,1146 3.281,1147 3.365,1148 3.162,1149 3.032,1150 5.323,1151 3.053,1152 3.115,1153 3.229,1154 3.006,1155 2.821,1156 4.988,1157 2.856,1158 2.916,1159 3.018,1160 2.769,1161 2.735,1162 4.788,1163 2.715,1164 2.854,1165 2.925,1166 2.687,1167 2.701,1168 4.698,1169 2.695,1170 0.157,1171 0.158,1172 0.248,1173 0.146,1174 0.115,1175 4.542,1176 0.155,1177 4.572,1178 0.135,1179 7.182,1180 0.408,1181 4.241,1182 0.105,1183 3.349,1184 4.491,1185 3.904,1186 11.845,1187 3.049,1188 1.976,1189 1.941,1190 2.049,1191 2.124,1192 1.174,1193 2.101,1194 1.908,1195 1.884,1196 1.99,1197 2.017,1198 1.071,1199 2.011,1200 1.51,1201 1.453,1202 1.696,1203 1.753,1204 0.819,1205 1.73,1206 1.326,1207 1.289,1208 1.516,1209 1.602,1210 0.546,1211 1.557,1212 1.187,1213 1.124,1214 1.307,1215 1.49,1216 0.319,1217 1.456,1218 1.008,1219 0.911,1220 1.276,1221 1.383,1222 0.27,1223 1.364,1224 0.92,1225 0.821,1226 1.26,1227 1.189,1228 0.218,1229 1.229,1230 0.886,1231 0.819,1232 1.181,1233 1.062,1235 1.107,1236 4.078,1238 5.442,1240 6.989,1242 8.616,1244 10.283,1246 1.745,1248 37.411,1250 11.364,1252 0.353,1257 1.768,1258 -4.895,1262 28.154,1263 78.122,1264 162.338,1265 187.458,1266 202.968,1267 202.968,1268 202.968,1269 60.602,1270 7.292,1271 111.02,1272 111.02,1273 18,1274 12.505,1275 4.248,1276 3.392,1277 47.323,1278 114,1279 98,1280 0.205,1281 173.67,1282 302.12,1283 415.515,1284 14250,1285 7.1,1286 19.767,1287 0.732,1288 0.524,1289 17.267,1290 14.157,1291 12.647,1292 0.436,1293 0.268,1294 7.576,1295 11.924,1296 7.441,1297 6.142,1298 11.436,1299 7.763,1300 12.699,1301 0.295,1302 0.136,1303 10.789,1304 5.867,1305 9.766,1306 0.184,1307 0.073,1308 8.636,1309 3.871,1310 7.625,1311 0.117,1312 0.039,1313 7.084,1314 2.549,1315 5.887,1316 0.074,1317 0.02,1318 5.483,1319 1.629,1320 0.327,1321 81.17,1322 0.234,1323 26.163,1324 0.543,1325 144,1326 647.274,1327 173.639,1328 547.818,1329 712.25,1330 504,1331 168,1332 502.242,1333 192.483,1334 490.649,1335 735.52,1336 458,1337 7.495}
{0 CHEMBL55063,1 1.477,2 9.238,3 2.407,4 5.795,5 84.601,6 7.578,7 0.739,8 3.724,9 3.87,10 3.304,11 3.235,12 4.906,13 3.231,14 4.186,15 4.376,16 3.65,17 3.587,18 5.341,19 3.564,20 4.383,21 4.592,22 3.685,23 3.706,24 5.489,25 3.657,26 4.441,27 4.677,28 3.551,29 3.683,30 5.481,31 3.59,32 4.45,33 4.71,34 3.382,35 3.62,36 5.443,37 3.501,38 4.367,39 4.657,40 3.189,41 3.48,42 5.272,43 3.338,44 4.104,45 4.375,46 3.126,47 3.302,48 5.015,49 3.195,50 3.93,51 4.17,52 3,53 3.154,54 5.031,55 3.07,56 0.039,57 0.616,58 7.402,59 2.664,60 9.733,61 3.793,62 0.172,63 0.923,64 12.932,65 4.497,66 19.008,67 6.476,68 0.234,69 1.071,70 16.298,71 5.271,72 23.964,73 7.724,74 0.162,75 1.05,76 18.085,77 6.237,78 25.96,79 9.281,80 0.208,81 1.001,82 19.112,83 6.057,84 33.91,85 9.202,86 0.273,87 0.867,88 18.624,89 5.877,90 31.642,91 8.944,92 0.102,93 0.695,94 13.797,95 4.69,96 15.528,97 7.13,98 0.154,99 0.625,100 10.906,101 3.177,102 22.208,103 4.826,104 10,105 32,106 0.265,107 0.607,108 0.736,109 0.831,110 0.844,111 0.844,112 3.103,113 0.858,114 -3.59,115 -3.56,116 -3.4,119 40.5,124 1,125 1,139 7,141 1,143 3,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 4,172 3,173 3,178 4,181 3,182 5,184 1,185 1,189 2,193 3,195 1,196 1,197 1,198 2,200 2,204 2,205 1,207 3,209 1,210 1,212 2,215 2,218 2,220 2,221 2,223 1,224 1,229 4,234 1,241 3,246 4,248 1,249 1,251 2,254 1,256 2,260 4,265 2,270 2,273 528,274 14.085,275 14.085,276 14.085,277 14.085,278 14.085,279 12.022,280 16.551,281 8.346,282 14.418,283 11.366,284 11.366,285 11.366,286 11.366,287 11.366,288 8.328,289 23.229,290 3.998,291 11.932,292 3.733,293 1.829,294 1.112,295 0.581,296 0.507,297 0.507,298 3.783,300 1,301 1,302 1,303 417,304 2.646,307 171.43,311 88.74,314 1.392,315 14.615,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 45,327 194,328 4.542,329 3.177,330 6.503,331 4.036,332 3.083,333 4.491,334 0.916,335 10.18,336 2.937,337 4.066,338 3.039,339 6.047,340 3.753,341 2.807,342 3.549,343 0.172,344 8.672,345 2.657,346 3.749,347 2.523,348 5.299,349 3.311,350 2.359,351 3.225,353 6.82,354 2.251,355 3.43,356 2.179,357 5.062,358 2.973,359 2.044,360 2.811,362 5.805,363 1.891,364 3.384,365 2.046,366 4.973,367 2.917,368 1.968,369 2.71,371 5.763,372 1.863,373 3.067,374 1.795,375 4.19,376 2.661,377 1.693,378 2.261,380 3.915,381 1.636,382 2.5,383 1.144,384 3.709,385 2.015,386 1.044,387 1.5,389 2.565,390 1.011,391 2.458,392 1.057,393 3.452,394 2,395 1,396 1.44,398 2.485,399 1,400 2.357,401 1,402 3.247,403 1.943,404 1,405 1.32,407 2.136,408 0.94,409 1.492,410 0.386,411 2.85,412 1.105,413 0.166,414 0.21,415 0.416,416 0.156,417 0.987,418 -0.191,419 2.641,420 0.543,421 -0.388,422 -0.482,423 -1.042,424 -0.359,425 0.803,426 -0.307,427 2.493,428 0.43,429 -0.492,430 -0.605,431 -1.259,432 -0.452,433 0.626,434 -0.61,435 2.212,436 0.217,437 -0.754,438 -0.964,439 -1.62,440 -0.728,441 0.506,442 -0.72,443 1.774,444 0.132,445 -0.815,446 -1.09,448 -2.213,449 -0.77,450 0.5,451 -0.848,452 1.555,454 -1,455 -1.272,457 -2.347,458 -0.936,459 9.9,460 0.471,461 0.541,462 0.026,463 31.75,464 1.512,465 17.5,466 0.833,467 14.25,468 0.679,469 12.446,470 0.593,471 21.9,472 0.592,473 21.175,474 1.008,475 6.4,476 0.305,477 3.731,478 0.178,479 0.131,481 0.343,485 1.139,486 1.353,487 0.813,488 0.988,489 1.306,490 0.874,491 0.808,492 1.037,493 0.767,494 0.911,495 0.476,496 0.846,497 1.066,498 1.031,499 1.035,500 1.018,501 0.874,502 1.021,503 0.82,504 1.186,505 1.014,506 1.208,507 0.665,508 1.152,509 1.061,510 1.031,511 1.141,512 1.111,513 1.13,514 1.134,515 0.863,516 0.683,517 1.012,518 0.882,519 1.006,520 0.955,521 0.699,522 0.993,523 0.778,524 0.945,525 0.567,526 0.886,527 1.389,528 0.997,529 1.26,530 1.042,531 1.535,532 1.116,533 4.5,534 0.062,535 2.222,536 1.5,537 1.369,538 0.444,539 0.344,540 0.264,541 0.168,542 0.086,543 4423,544 11685,545 2.074,546 43.2,548 12,551 4,555 1.629,556 1.938,557 3.191,558 1.921,560 1,562 1,564 54.637,565 1.477,566 3.381,567 4.097,568 4.628,569 4.703,570 4.703,571 2.684,572 4.011,573 4.366,574 3.301,575 693.314,576 7.467,577 7302.61,578 1,579 1,581 1,582 192.75,583 1.418,584 4.322,585 0.196,586 0.009,587 0.069,588 0.047,589 0.051,590 0.02,591 0.019,592 0.015,593 0.011,594 0.007,595 0.444,596 0.5,597 1,598 0.61,599 94.834,600 -0.175,601 -0.15,602 0.024,603 0.011,604 -0.313,605 0.042,606 0.212,607 0.085,608 0.133,609 0.067,610 0.275,611 0.084,612 0.014,613 0.063,614 -0.114,615 -0.067,616 -0.021,617 -0.103,618 0.057,619 -0.204,620 -0.07,621 -0.209,622 0.162,623 -0.168,624 -0.12,625 -0.084,626 -0.164,627 -0.136,628 -0.135,629 -0.153,630 0.063,631 0.203,632 0.006,633 0.098,634 -0.101,635 0.053,636 0.073,637 -0.109,638 0.211,639 0.082,640 0.16,641 0.153,642 -0.267,643 0.035,644 -0.299,645 -0.113,646 -0.306,647 -0.194,648 1.504,649 1.861,650 0.762,651 15.374,652 1.001,653 1.137,654 2.362,655 5.58,656 0.671,657 3.178,658 3.497,659 3.738,660 3.989,661 4.205,662 4.174,663 4.263,664 4.304,665 4.419,666 4.29,667 5.385,668 0.642,669 280.37,670 3.178,671 4.71,672 5.549,673 6.422,674 7.277,675 8.153,676 9.015,677 9.892,678 10.759,679 11.636,680 16.2,684 2,686 1,690 3,694 2,695 7,696 3,700 4,702 17,711 2,714 1,718 37,719 17,720 1,721 23,723 39,724 15,725 13,726 1,727 5,729 3,730 4,741 13,742 2,753 1,754 1,757 16,758 6,759 4,760 6,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,810 21,811 2,816 1,821 1,836 10.833,837 6.8,838 4.583,839 1.956,840 3.235,841 1.478,842 1.017,843 3.585,844 9.999,845 3.481,846 4.127,847 4.73,848 5.338,849 5.926,850 6.128,851 6.486,852 6.827,853 7.237,854 7.214,855 1,856 32,857 7.676,859 3.192,860 7.714,861 14.56,863 11.606,865 2.214,866 46.5,870 141.253,871 90.865,872 119.275,877 90.865,878 141.253,879 119.275,880 8.396,881 2.106,882 132.128,883 50.357,884 12.926,885 4.227,886 141.253,888 141.253,889 210.14,893 141.253,897 11.05,898 148.733,899 50.357,901 141.253,902 119.275,903 90.865,906 141.253,907 16.134,908 77.854,910 116.151,911 141.253,912 119.275,913 90.865,915 0.583,916 0.336,917 0.184,918 0.1,919 16,920 7,921 0.077,922 3,923 1,924 1.125,925 3.353,926 159.679,927 0.125,928 16,929 88.239,933 13.587,934 5.542,935 2.879,936 1.245,937 119.275,938 13.91,939 12.608,943 2.493,945 65.794,946 351.393,947 31.5,956 37.029,957 42.066,958 0.283,959 0.649,960 0.786,961 0.888,962 0.903,963 0.903,964 4.694,965 1,966 5.533,967 2.565,968 4.174,969 4.812,970 0.918,971 6.323,972 4.078,973 5.915,974 1,975 7.079,976 2.485,977 3.761,978 4.62,979 0.325,980 7.154,981 3.589,982 7.222,983 0.166,984 8.723,985 2.136,986 5.746,987 7.07,988 0.671,989 10.246,990 5.549,991 8.565,992 -0.388,993 10.423,994 0.416,995 6.111,996 7.687,997 0.393,998 11.888,999 5.837,1000 9.937,1001 -0.492,1002 12.159,1003 -1.042,1004 7.59,1005 9.621,1006 0.533,1007 14.495,1008 7.293,1009 11.332,1010 -0.754,1011 13.92,1012 -1.259,1013 8.333,1014 10.66,1015 0.384,1016 16.495,1017 7.964,1018 12.745,1019 -0.815,1020 15.7,1021 -1.62,1022 9.595,1023 12.356,1024 0.438,1025 18.919,1026 9.197,1027 3.083,1028 -1,1029 17.495,1030 -2.213,1031 10.526,1032 13.623,1033 0.351,1034 21.084,1035 10.063,1036 2.807,1037 10.18,1038 19.3,1039 -2.347,1040 11.694,1041 15.208,1042 0.366,1043 23.436,1044 11.196,1045 2.359,1046 8.672,1047 21.115,1048 4.491,1049 12.717,1050 16.594,1051 0.312,1052 25.678,1053 12.16,1054 2.044,1055 6.82,1056 22.937,1057 3.549,1058 13.847,1059 18.129,1060 0.309,1061 28.003,1062 13.249,1063 1.968,1064 5.805,1065 24.766,1066 3.225,1067 14.915,1068 19.574,1069 0.273,1070 30.281,1071 14.263,1072 1.693,1073 5.763,1074 26.6,1075 2.811,1076 16.03,1077 21.088,1078 0.262,1079 32.596,1080 15.335,1081 1.044,1082 3.915,1083 28.438,1084 2.71,1085 17.12,1086 22.561,1087 0.236,1088 34.892,1089 16.373,1090 4293,1091 7103,1092 15.315,1093 24.841,1094 34.698,1095 34.363,1096 35.014,1097 34.386,1098 34.327,1099 47.032,1100 2.178,1101 97.512,1102 32.683,1103 5.365,1104 5.177,1105 6.305,1106 5.108,1107 5.083,1108 7.491,1109 1.605,1110 17.074,1111 4.937,1112 9.581,1113 1.509,1114 1.494,1115 1.522,1116 1.495,1117 1.492,1118 2.045,1119 0.095,1120 4.24,1121 1.421,1122 4.056,1123 4.1,1124 4.03,1125 3.927,1126 5.323,1127 3.946,1128 3.899,1129 3.938,1130 3.833,1131 3.818,1132 4.988,1133 3.817,1134 3.545,1135 3.614,1136 3.466,1137 3.36,1138 4.8,1139 3.378,1140 3.312,1141 3.4,1142 3.178,1143 3.098,1144 4.738,1145 3.106,1146 3.115,1147 3.229,1148 3.006,1149 2.824,1150 4.248,1151 2.858,1152 2.916,1153 3.018,1154 2.737,1155 2.735,1156 4.046,1157 2.715,1158 2.854,1159 2.925,1160 2.687,1161 2.705,1162 3.903,1163 2.702,1164 2.737,1165 2.813,1166 2.538,1167 2.602,1168 3.674,1169 2.576,1170 0.197,1171 0.138,1172 0.283,1173 0.175,1174 0.134,1175 4.542,1176 0.195,1177 3.177,1178 0.04,1179 6.503,1180 0.443,1181 4.036,1182 0.128,1183 3.083,1184 4.491,1185 0.916,1186 10.18,1187 2.937,1188 1.974,1189 1.938,1190 2.051,1191 2.124,1192 1.164,1193 2.1,1194 1.886,1195 1.853,1196 1.992,1197 1.994,1198 1.051,1199 1.999,1200 1.489,1201 1.424,1202 1.693,1203 1.711,1204 0.805,1205 1.71,1206 1.271,1207 1.188,1208 1.516,1209 1.528,1210 0.544,1211 1.535,1212 1.008,1213 0.912,1214 1.293,1215 1.383,1216 0.312,1217 1.364,1218 0.92,1219 0.821,1220 1.268,1221 1.189,1222 0.218,1223 1.231,1224 0.886,1225 0.819,1226 1.181,1227 1.062,1228 0.134,1229 1.107,1230 0.762,1231 0.696,1232 1.041,1233 0.949,1235 0.982,1236 3.85,1238 5.165,1240 6.681,1242 8.29,1244 9.947,1246 2.018,1250 11.442,1252 0.67,1257 2.114,1262 23.762,1263 54.637,1264 125.082,1265 151.589,1266 171.24,1267 173.995,1268 173.995,1269 24.564,1270 6.764,1271 93.95,1272 93.95,1273 18,1274 12.176,1275 4.17,1276 3.248,1277 32.275,1278 68,1279 62,1280 0.237,1281 149.822,1282 243.16,1283 357.326,1284 7104,1286 14.82,1287 0.706,1288 0.557,1289 14.82,1290 11.692,1291 10.131,1292 0.44,1293 0.286,1294 6.484,1295 9.764,1296 6.302,1297 5.276,1298 10.131,1299 6.581,1300 9.268,1301 0.29,1302 0.151,1303 9.268,1304 4.829,1305 7.527,1306 0.184,1307 0.079,1308 7.527,1309 3.24,1310 6.407,1311 0.121,1312 0.042,1313 6.407,1314 2.201,1315 5.068,1316 0.077,1317 0.022,1318 5.068,1319 1.426,1320 0.368,1321 63.248,1322 0.256,1323 20.813,1324 0.656,1325 110,1326 299.205,1327 120.519,1328 301.571,1329 422.1,1330 282,1331 128,1332 324.606,1333 138.769,1334 332.836,1335 482.74,1336 312,1337 7.62}
{0 CHEMBL551038,1 1.526,2 13.385,3 5.058,4 25.584,5 155.918,6 7.215,7 0.419,8 4.383,9 4.509,10 3.921,11 3.905,12 5.488,13 3.885,14 4.923,15 5.098,16 4.272,17 4.312,18 5.959,19 4.264,20 5.192,21 5.394,22 4.41,23 4.505,24 6.189,25 4.434,26 5.327,27 5.553,28 4.418,29 4.554,30 6.319,31 4.471,32 5.367,33 5.587,34 4.419,35 4.582,36 6.374,37 4.499,38 5.372,39 5.592,40 4.387,41 4.577,42 6.422,43 4.478,44 5.368,45 5.616,46 4.346,47 4.5,48 6.398,49 4.391,50 5.243,51 5.477,52 4.252,53 4.382,54 6.288,55 4.295,56 0.065,57 1.088,58 15.634,59 6.603,60 15.595,61 8.824,62 0.347,63 1.724,64 29.19,65 11.427,66 38.381,67 15.451,68 0.379,69 2.178,70 39.051,71 14.562,72 52.624,73 20.619,74 0.438,75 2.39,76 46.287,77 16.198,78 68.971,79 23.03,80 0.54,81 2.433,82 48.681,83 16.679,84 73.067,85 23.336,86 0.6,87 2.418,88 48.732,89 17.272,90 86.343,91 24.197,92 0.732,93 2.285,94 50.194,95 17.74,96 96.593,97 25.371,98 0.696,99 2.052,100 44.249,101 14.536,102 91.341,103 20.55,104 30,105 60,106 0.236,107 0.589,108 0.768,109 0.844,110 0.864,111 0.877,112 3.693,113 0.924,114 -5.28,115 -5.17,116 -4.84,119 41.1,121 6,122 1,124 2,127 1,134 2,139 6,140 5,141 2,142 1,144 1,147 1,151 1,153 1,157 2,158 2,159 2,160 1,166 19,169 2,170 9,172 3,173 3,175 1,178 20,180 1,181 2,182 17,187 1,189 16,191 1,193 20,195 1,196 1,197 1,198 2,200 2,201 14,204 2,205 1,207 19,212 3,215 19,218 3,220 2,221 11,226 2,229 19,231 2,233 5,234 9,236 1,237 1,239 3,241 16,243 3,245 3,246 8,248 1,249 1,251 2,254 13,256 2,260 7,262 1,263 1,265 1,268 14,270 1,273 2950,274 26.739,275 26.739,276 26.739,277 26.739,278 26.739,279 24.093,280 29.53,281 15.725,282 27.32,283 21.107,284 21.107,285 21.107,286 21.107,287 21.107,288 16.909,289 40.027,290 7.275,291 21.851,292 4.664,293 2.377,294 1.219,295 0.726,296 0.596,297 0.514,298 4.398,302 1,303 1138,304 3.742,307 589.715,311 189.503,314 1.964,315 37.152,318 0.75,319 0.67,320 0.83,321 0.9,322 0.5,323 0.83,324 1,325 0.78,326 84,327 522,328 4.464,329 3.717,330 6.968,331 4.241,332 3.263,333 4.134,334 1.081,335 11.831,336 3.191,337 4.434,338 3.328,339 6.528,340 4.042,341 3.076,342 3.957,343 0.86,344 10.291,345 2.975,346 4.23,347 3.226,348 6.088,349 3.813,350 2.856,351 3.877,352 0.86,353 8.843,354 2.736,355 3.925,356 3.071,357 6.012,358 3.592,359 2.597,360 3.228,361 0.68,362 8.46,363 2.577,364 3.614,365 2.538,366 5.634,367 3.442,368 2.442,369 2.936,370 0.473,371 7.345,372 2.438,373 3.586,374 2.537,375 5.281,376 3.232,377 2.278,378 2.745,380 6.715,381 2.174,382 3.396,383 2.363,384 5.208,385 3.03,386 2.072,387 2.662,389 6.223,390 1.975,391 3.362,392 2.178,393 4.921,394 2.939,395 1.999,396 2.596,398 5.65,399 1.868,400 3.095,401 2.08,402 4.696,403 2.759,404 1.763,405 2.259,407 4.756,408 1.752,409 2.962,410 1.961,411 4.316,412 2.578,413 1.588,414 2.05,415 3.948,416 1.568,417 2.823,418 1.772,419 4.145,420 2.353,421 1.422,422 1.952,423 3.672,424 1.321,425 2.763,426 1.53,427 3.811,428 2.32,429 1.328,430 1.79,431 3.016,432 1.317,433 2.473,434 1.425,435 3.672,436 2.289,437 1.3,438 1.449,439 2.928,440 1.283,441 2.431,442 1.333,443 3.611,444 2,445 1.081,446 1.258,448 2.432,449 1,450 2.085,451 1,452 3.332,453 1.975,454 1,455 1,457 2.136,458 0.951,459 18.4,460 0.472,461 0.866,462 0.022,463 49.5,464 1.269,465 24.5,466 0.628,467 25,468 0.641,469 38.828,470 0.996,471 42.2,472 0.578,473 43.297,474 1.11,475 9.571,476 0.245,477 9.407,478 0.241,479 0.116,481 0.348,485 0.838,486 1.214,487 0.824,488 1.084,489 0.795,490 0.967,491 0.923,492 0.998,493 0.873,494 0.975,495 0.6,496 0.935,497 0.775,498 1.163,499 0.91,500 1.088,501 0.707,502 1.026,503 1.018,504 1.035,505 0.982,506 1.034,507 0.947,508 1.003,509 1.318,510 1.01,511 1.083,512 0.998,513 1.201,514 1.006,515 1.108,516 1.066,517 1.103,518 1.119,519 1.502,520 1.114,521 0.797,522 0.993,523 0.855,524 1.016,525 1.187,526 0.967,527 1.273,528 0.97,529 1.018,530 0.954,531 1.537,532 0.959,533 7,534 0.33,535 4.444,536 3.125,537 2.756,538 1.278,539 1.015,540 0.733,541 0.493,542 0.482,543 23951,544 58789,545 2.095,546 46.6,547 12,548 15,550 2,551 4,553 1,555 1.798,556 1.966,557 3.675,558 1.427,564 111.412,565 1.526,566 3.813,567 4.971,568 5.464,569 5.594,570 5.676,571 3.083,572 5.132,573 5.26,574 3.871,575 2868.25,576 9.297,577 48156.9,582 451.857,583 1.389,584 5.219,585 0.163,586 0.006,587 0.074,588 0.047,589 0.042,590 0.019,591 0.016,592 0.012,593 0.009,594 0.009,595 0.398,597 0.75,598 0.735,599 217.02,600 -0.017,601 0.001,602 0.05,603 0.002,604 -0.057,605 0.033,606 0.056,607 0.104,608 0.058,609 0.072,610 0.113,611 0.058,612 0.079,613 -0.101,614 0.027,615 -0.056,616 0.085,617 -0.025,618 -0.054,619 -0.009,620 -0.012,621 -0.037,622 0.011,623 -0.018,624 -0.181,626 -0.096,627 -0.002,628 -0.105,629 -0.03,630 -0.035,631 -0.067,632 -0.126,633 -0.112,634 -0.11,635 -0.126,636 0.234,637 -0.071,638 0.142,639 -0.01,640 0.113,641 0.04,642 -0.003,643 -0.006,644 -0.001,645 0.023,646 -0.093,647 0.009,648 1.848,649 6.649,650 0.718,651 41.837,652 0.999,653 1.129,654 4.055,655 16.443,656 0.658,657 3.784,658 4.111,659 4.419,660 4.71,661 4.97,662 5.024,663 5.165,664 5.278,665 5.394,666 5.421,667 7.999,668 0.625,669 526.7,670 3.784,671 5.333,672 6.196,673 7.084,674 7.966,675 8.86,676 9.748,677 10.644,678 11.536,679 12.433,680 8.2,684 2,687 1,689 1,690 2,695 7,696 2,700 9,702 18,711 2,716 2,718 73,719 21,720 2,721 43,723 77,724 30,725 16,726 6,727 6,728 4,729 5,730 6,732 1,736 6,737 1,739 7,741 20,742 10,743 1,744 3,748 1,749 3,750 1,751 1,757 34,758 9,759 4,760 9,764 6,769 0.8,770 3,776 1,781 5,785 1,795 2,802 4,806 2,810 39,811 2,816 6,818 2,820 2,821 1,829 4.1,832 1,834 2,836 19.833,837 13.467,838 8.722,839 4.371,840 4.4,841 1.519,842 0.982,843 8.369,844 12.879,845 4.025,846 4.59,847 5.16,848 5.707,849 6.248,850 6.461,851 6.819,852 7.167,853 7.559,854 7.82,855 0.889,856 67,857 14.441,859 6.153,860 7.688,861 27.748,863 23.022,865 2.188,866 85.333,870 353.133,871 166.225,872 119.03,874 47.145,877 166.225,878 400.278,879 119.03,880 21.766,881 18.209,882 141.604,883 96.01,884 74.125,885 4.227,886 329.591,888 353.133,889 285.255,890 47.145,893 341.362,894 58.916,897 45.819,898 177.865,899 61.571,901 353.133,902 166.175,903 166.225,906 353.133,907 50.554,908 118.673,910 163.173,911 353.133,912 166.175,913 166.225,915 0.576,916 0.351,917 0.201,918 0.113,919 28,920 13,921 0.091,922 7,923 1,924 1.071,925 4.735,926 397.221,927 0.071,928 28,929 202.131,933 27.013,934 12.082,935 5.886,937 166.175,938 13.657,939 8.113,943 6.082,945 65.794,946 685.533,947 55,951 13.649,952 5.094,953 4.62,954 -0.182,956 72.963,957 82.431,958 0.247,959 0.616,960 0.803,961 0.883,962 0.904,963 0.917,964 5.276,965 1.999,966 6.18,967 6.223,968 4.796,969 5.278,970 2.037,971 7.013,972 4.735,973 6.469,974 1.763,975 7.751,976 5.65,977 4.369,978 5.027,980 7.968,981 4.285,982 7.771,983 1.588,984 9.423,985 4.756,986 6.405,987 7.417,988 1.864,989 11.099,990 6.293,991 9.107,992 1.422,993 11.158,994 3.948,995 6.815,996 7.979,998 12.908,999 6.672,1000 10.475,1001 1.328,1002 12.933,1003 3.672,1004 8.305,1005 9.841,1006 1.797,1007 15.565,1008 8.144,1009 11.866,1010 1.3,1011 14.736,1012 3.016,1013 9.107,1014 10.795,1016 17.735,1017 8.912,1018 13.274,1019 1.081,1020 16.56,1021 2.928,1022 10.381,1023 12.425,1024 1.795,1025 20.239,1026 10.168,1027 3.263,1028 1,1029 18.4,1030 2.432,1031 11.37,1032 13.583,1034 22.567,1035 11.125,1036 3.076,1037 11.831,1038 20.253,1039 2.136,1040 12.56,1041 15.1,1042 1.838,1043 25.026,1044 12.295,1045 2.856,1046 10.291,1047 22.117,1048 4.134,1049 13.636,1050 16.366,1052 27.422,1053 13.341,1054 2.597,1055 8.843,1056 23.99,1057 3.957,1058 14.797,1059 17.825,1060 1.912,1061 29.871,1062 14.48,1063 2.442,1064 8.46,1065 25.87,1066 3.877,1067 15.915,1068 19.15,1070 32.299,1071 15.571,1072 2.278,1073 7.345,1074 27.756,1075 3.228,1076 17.068,1077 20.579,1078 2.007,1079 34.749,1080 16.702,1081 2.072,1082 6.715,1083 29.648,1084 2.936,1085 18.207,1086 21.936,1088 37.194,1089 17.815,1090 22542,1091 35546,1092 28.838,1093 48.057,1094 64.767,1095 65.917,1096 66.642,1097 63.782,1098 63.861,1099 80.592,1100 7.907,1101 184.543,1102 61.771,1103 5.464,1104 5.717,1105 6.77,1106 5.31,1107 5.263,1108 7.134,1109 2.162,1110 19.202,1111 5.191,1112 19.178,1113 1.506,1114 1.533,1115 1.55,1116 1.483,1117 1.485,1118 1.874,1119 0.184,1120 4.292,1121 1.437,1122 4.06,1123 4.094,1124 4.006,1125 3.973,1126 7.429,1127 3.975,1128 3.977,1129 4.005,1130 3.93,1131 3.904,1132 5.291,1133 3.905,1134 3.826,1135 3.87,1136 3.792,1137 3.714,1138 4.98,1139 3.698,1140 3.807,1141 3.858,1142 3.675,1143 3.67,1144 4.927,1145 3.693,1146 3.587,1147 3.621,1148 3.531,1149 3.42,1150 4.849,1151 3.44,1152 3.327,1153 3.388,1154 3.221,1155 3.179,1156 4.501,1157 3.178,1158 3.316,1159 3.373,1160 3.188,1161 3.072,1162 4.461,1163 3.093,1164 3.227,1165 3.297,1166 3.033,1167 3.005,1168 4.446,1169 3.001,1170 0.104,1171 0.086,1172 0.162,1173 0.099,1174 0.076,1175 4.464,1176 0.096,1177 3.717,1178 0.025,1179 6.968,1180 0.275,1181 4.241,1182 0.074,1183 3.263,1184 4.134,1185 1.081,1186 11.831,1187 3.191,1188 1.999,1189 1.969,1190 2.138,1191 2.111,1192 1.529,1193 2.118,1194 1.953,1195 1.935,1196 2.04,1197 2.054,1198 1.231,1199 2.049,1200 1.827,1201 1.779,1202 2.006,1203 1.953,1204 1.192,1205 1.975,1206 1.75,1207 1.71,1208 1.835,1209 1.932,1210 0.923,1211 1.906,1212 1.516,1213 1.483,1214 1.657,1215 1.713,1216 0.872,1217 1.693,1218 1.308,1219 1.25,1220 1.575,1221 1.54,1222 0.825,1223 1.549,1224 1.246,1225 1.186,1226 1.571,1227 1.529,1228 0.641,1229 1.543,1230 1.18,1231 1.102,1232 1.528,1233 1.468,1234 0.574,1235 1.49,1236 4.466,1238 5.79,1240 7.323,1242 8.955,1244 10.638,1246 3.156,1250 11.707,1252 6.239,1254 11.259,1256 0.292,1257 1.648,1262 45.648,1263 111.412,1264 278.325,1265 362.863,1266 398.838,1267 408.347,1268 414.347,1269 77.286,1270 8.479,1271 128.95,1272 128.95,1273 30,1274 12.958,1275 4.459,1276 3.7,1277 61.27,1278 190,1279 199,1280 0.155,1281 279.199,1282 493.75,1283 673.007,1284 67657,1286 27.355,1287 0.701,1288 0.573,1289 27.355,1290 22.339,1291 18.978,1292 0.441,1293 0.308,1294 13.055,1295 18.247,1296 12.726,1297 10.598,1298 18.978,1299 13.241,1300 16.709,1301 0.278,1302 0.166,1303 16.709,1304 9.969,1305 14.469,1306 0.176,1307 0.092,1308 14.469,1309 7.506,1310 12.445,1311 0.113,1312 0.051,1313 12.445,1314 5.63,1315 10.423,1316 0.073,1317 0.029,1318 10.423,1319 4.173,1320 0.244,1321 119.107,1322 0.186,1323 34.922,1324 0.425,1325 206,1326 572.412,1327 224.49,1328 554.068,1329 764.43,1330 520,1331 245,1332 569.865,1333 264.407,1334 580.261,1335 846.87,1336 543,1337 4.602}
{0 CHEMBL55179,1 1.693,2 11,3 2.005,4 4.018,5 99.756,6 7.748,7 0.607,8 3.954,9 4.079,10 3.538,11 3.363,12 5.17,13 3.395,14 4.434,15 4.607,16 3.869,17 3.69,18 5.606,19 3.715,20 4.537,21 4.695,22 3.997,23 3.831,24 5.755,25 3.845,26 4.649,27 4.822,28 3.946,29 3.884,30 5.816,31 3.853,32 4.788,33 5.001,34 3.757,35 3.867,36 5.829,37 3.797,38 4.72,39 4.967,40 3.506,41 3.758,42 5.686,43 3.647,44 4.616,45 4.914,46 3.429,47 3.631,48 5.456,49 3.501,50 4.394,51 4.656,52 3.48,53 3.484,54 5.388,55 3.419,56 0.132,57 0.699,58 9.272,59 3.421,60 13.361,61 4.581,62 0.464,63 1.001,64 17.868,65 5.563,66 34.86,67 7.403,68 0.564,69 1.172,70 18.448,71 5.891,72 34.221,73 8.093,74 0.495,75 1.219,76 21.004,77 7.391,78 35.145,79 10.302,80 0.728,81 1.221,82 27.406,83 7.914,84 56.277,85 11.189,86 0.687,87 1.114,88 26.407,89 7.344,90 53.25,91 10.792,92 0.518,93 0.948,94 25.545,95 7.45,96 42.722,97 11.784,98 0.369,99 0.814,100 19.337,101 5.903,102 32.75,103 8.969,104 35,105 39,106 0.291,107 0.618,108 0.725,109 0.772,110 0.783,111 0.814,112 3.304,113 0.833,114 -2.11,115 -2.15,116 -2.13,119 37,124 3,125 1,139 4,141 4,143 3,144 1,147 1,157 2,158 2,159 2,166 1,169 1,170 4,172 3,173 3,175 2,178 1,181 4,182 4,184 1,185 2,187 1,192 1,193 3,195 1,196 3,197 1,198 3,200 2,204 2,205 1,207 3,209 1,210 2,212 2,215 2,218 2,224 2,225 1,228 1,229 2,233 2,234 2,245 1,246 7,250 1,251 2,253 1,256 2,260 1,273 920,274 17.643,275 17.643,276 17.643,277 17.643,278 17.643,279 15.582,280 26.188,281 10.181,282 18.443,283 13.619,284 13.619,285 13.619,286 13.619,287 13.619,288 10.281,289 38.087,290 4.557,291 14.645,292 3.83,293 1.928,294 1.305,295 1.028,296 0.968,297 0.788,298 3.985,300 1,301 1,302 1,303 602,304 3.082,307 229.767,311 120.969,314 1.538,315 26.648,317 1,318 1,319 0.83,320 1,321 0.8,323 1,324 1,325 0.8,326 58,327 286,328 4.541,329 3.373,330 6.523,331 4.033,332 3.081,333 4.491,334 0.86,335 10.257,336 2.934,337 4.42,338 3.131,339 6.502,340 4.002,341 3.058,342 4.104,343 0.86,344 10.174,345 2.88,346 3.785,347 2.717,348 5.381,349 3.399,350 2.452,351 3.238,352 0.86,353 7.048,354 2.322,355 3.555,356 2.555,357 5.218,358 3.162,359 2.22,360 2.879,361 0.657,362 6.571,363 2.089,364 3.427,365 2.406,366 5.19,367 2.972,368 2.061,369 2.811,371 6.118,372 1.884,373 3.356,374 2.172,375 5.062,376 2.963,377 2.031,378 2.678,380 5.801,381 1.867,382 3.355,383 2.04,384 4.965,385 2.894,386 1.947,387 2.604,389 5.738,390 1.839,391 2.454,392 1.943,393 3.811,394 2.008,395 1.173,396 1.435,398 2.565,399 0.98,400 2.236,401 1.098,402 3.71,403 1.954,404 1.008,405 1.222,407 2.532,408 0.947,409 1.886,410 1.056,411 3.227,412 1.631,413 0.717,414 0.811,415 1.598,416 0.653,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.43,426 0.885,427 2.744,428 1.16,429 0.315,430 0.339,431 0.416,432 0.264,433 1.33,434 0.249,435 2.58,436 0.944,437 0.021,438 0.027,439 0.049,440 0.019,441 0.976,442 0.048,443 2.492,444 0.526,445 -0.392,446 -0.471,448 -0.767,449 -0.355,450 0.834,451 -0.294,452 2.439,453 0.453,454 -0.461,455 -0.583,457 -1.154,458 -0.419,459 11.9,460 0.458,461 0.622,462 0.024,463 37,464 1.423,465 19,466 0.731,467 18,468 0.692,469 18.066,470 0.695,471 28.9,472 0.628,473 28.217,474 1.085,475 7.719,476 0.297,477 4.83,478 0.186,479 0.193,481 0.378,485 1.051,486 1.458,487 0.791,488 1.187,489 1.192,490 0.953,491 1.313,492 0.951,493 0.773,494 0.761,495 0.864,496 0.682,497 0.929,498 1.09,499 0.91,500 1.006,501 0.875,502 0.947,503 0.796,504 1.344,505 1.004,506 1.384,507 0.706,508 1.268,509 1.404,510 1.085,511 1.278,512 1.106,513 1.267,514 1.177,515 1.219,516 0.842,517 1.332,518 1.027,519 1.214,520 1.179,521 0.545,522 0.751,523 0.718,524 0.81,525 0.534,526 0.803,527 0.658,528 0.933,529 0.626,530 0.893,531 0.549,532 0.781,533 6,534 0.206,535 2.889,536 2.063,537 2.182,538 0.653,539 0.384,540 0.373,541 0.188,542 0.278,543 7796,544 23978,545 2.014,546 43.5,548 15,551 5,555 1.688,556 1.857,557 3.402,558 2.634,559 1,560 1,564 77.894,565 1.693,566 3.596,567 4.218,568 4.496,569 4.556,570 4.735,571 2.844,572 4.162,573 4.676,574 3.56,575 1157.13,576 8.087,577 14653.3,579 1,581 1,582 254.084,583 1.502,584 4.615,585 0.214,586 0.01,587 0.074,588 0.048,589 0.056,590 0.021,591 0.017,592 0.016,593 0.008,594 0.012,595 0.476,596 0.17,597 1,598 0.998,599 127.934,600 -0.157,601 -0.197,602 0.031,603 -0.095,604 -0.257,605 0.008,606 -0.127,607 0.126,608 0.174,609 0.255,610 0.075,611 0.266,612 0.098,613 0.1,614 -0.022,615 0.004,616 0.024,617 -0.022,618 0.124,619 -0.241,620 -0.112,621 -0.327,622 0.144,623 -0.284,624 -0.253,625 -0.129,626 -0.292,627 -0.119,628 -0.245,629 -0.211,630 -0.23,631 0.105,632 -0.338,633 -0.074,634 -0.312,635 -0.21,636 0.163,637 0.075,638 0.305,639 0.186,640 0.199,641 0.267,642 0.153,643 -0.048,644 0.374,645 0.123,646 0.306,647 0.271,648 1.542,649 1.88,650 0.615,651 22.059,652 1.017,653 1.142,654 0.876,655 0.768,656 0.646,657 3.367,658 3.689,659 3.97,660 4.234,661 4.443,662 4.431,663 4.466,664 4.511,665 4.615,666 4.654,667 6.467,668 0.63,669 356.43,670 3.367,671 4.905,672 5.759,673 6.642,674 7.512,675 8.396,676 9.27,677 10.154,678 11.029,679 11.913,680 13,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,716 3,718 46,719 17,720 1,721 28,723 48,724 17,725 13,726 4,727 2,729 3,730 4,741 13,742 4,753 1,754 1,757 20,758 9,759 5,760 9,764 6,769 0.667,770 3,775 1,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 1,817 1,818 3,829 6.5,834 3,836 14,837 9.1,838 5.944,839 2.265,840 3.363,841 1.464,842 0.971,843 5.489,844 10.618,845 3.624,846 4.277,847 4.903,848 5.509,849 6.08,850 6.317,851 6.599,852 6.901,853 7.304,854 7.402,855 1,856 43,857 9.494,859 3.889,860 7.827,861 17.706,863 13.659,865 2.327,866 60.5,870 176.567,871 102.419,872 134.162,874 33,877 102.419,878 209.566,879 134.162,880 32.649,881 2.106,882 103.699,883 68.367,884 58.532,885 4.227,886 176.567,888 176.567,889 236.581,890 33,893 176.567,894 33,897 11.05,898 157.163,899 68.367,901 176.567,902 167.161,903 102.419,906 176.567,907 31.865,908 70.554,909 18.011,910 149.151,911 176.567,912 167.161,913 102.419,915 0.574,916 0.355,917 0.202,918 0.109,919 18,920 9,921 0.125,922 6,923 1,924 1.125,925 3.713,926 213.724,927 0.125,928 16,929 114.211,933 18.29,934 7.803,935 3.865,936 1.12,937 167.161,938 7.295,939 12.552,943 3.603,945 83.805,946 446.147,947 36.5,956 46.778,957 52.524,958 0.307,959 0.651,960 0.764,961 0.814,962 0.825,963 0.857,964 4.854,965 1.173,966 5.753,967 5.738,968 4.369,969 4.963,970 1.841,971 6.575,972 4.237,973 6.083,974 1.008,975 7.322,976 2.565,977 4.007,978 4.913,980 7.496,981 3.834,982 7.411,983 0.717,984 8.986,985 2.532,986 5.979,987 7.259,988 1.538,989 10.577,990 5.741,991 8.776,992 0.396,993 10.705,994 1.598,995 6.399,996 7.989,998 12.288,999 6.108,1000 10.169,1001 0.315,1002 12.458,1003 0.603,1004 7.854,1005 9.84,1006 1.278,1007 14.899,1008 7.516,1009 11.582,1010 0.021,1011 14.235,1012 0.416,1013 8.643,1014 10.948,1016 16.957,1017 8.247,1018 13.011,1019 -0.392,1020 16.03,1021 0.049,1022 9.893,1023 12.594,1024 1.053,1025 19.398,1026 9.454,1027 3.081,1028 -0.461,1029 17.839,1030 -0.767,1031 10.861,1032 13.894,1034 21.609,1035 10.362,1036 3.058,1037 10.257,1038 19.66,1039 -1.154,1040 12.03,1041 15.449,1042 0.858,1043 23.981,1044 11.486,1045 2.452,1046 10.174,1047 21.491,1048 4.491,1049 13.081,1050 16.844,1052 26.257,1053 12.479,1054 2.22,1055 7.048,1056 23.329,1057 4.104,1058 14.218,1059 18.358,1060 0.691,1061 28.602,1062 13.568,1063 2.061,1064 6.571,1065 25.174,1066 3.238,1067 15.307,1068 19.8,1070 30.905,1071 14.601,1072 2.031,1073 6.118,1074 27.024,1075 2.879,1076 16.432,1077 21.298,1078 0.549,1079 33.239,1080 15.676,1081 1.947,1082 5.801,1083 28.879,1084 2.811,1085 17.539,1086 22.763,1088 35.554,1089 16.727,1090 7690,1091 13611,1092 18.205,1093 29.728,1094 40.809,1095 42.206,1096 43.609,1097 40.829,1098 40.963,1099 54.182,1100 6.475,1101 118.942,1102 38.042,1103 5.372,1104 5.373,1105 6.066,1106 5.106,1107 5.081,1108 7.491,1109 1.72,1110 17.178,1111 4.934,1112 14.929,1113 1.457,1114 1.507,1115 1.557,1116 1.458,1117 1.463,1118 1.935,1119 0.231,1120 4.248,1121 1.359,1122 4.056,1123 4.099,1124 4.031,1125 3.925,1126 5.324,1127 3.946,1128 3.927,1129 3.941,1130 3.894,1131 3.816,1132 4.99,1133 3.832,1134 3.537,1135 3.603,1136 3.466,1137 3.342,1138 4.978,1139 3.365,1140 3.303,1141 3.361,1142 3.175,1143 3.042,1144 4.776,1145 3.065,1146 3.294,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.207,1153 3.286,1154 3.011,1155 2.905,1156 4.471,1157 2.908,1158 3.118,1159 3.229,1160 2.98,1161 2.868,1162 4.337,1163 2.872,1164 3.068,1165 3.164,1166 2.871,1167 2.791,1168 4.173,1169 2.816,1170 0.162,1171 0.12,1172 0.233,1173 0.144,1174 0.11,1175 4.541,1176 0.16,1177 3.373,1178 0.031,1179 6.523,1180 0.366,1181 4.033,1182 0.105,1183 3.081,1184 4.491,1185 0.86,1186 10.257,1187 2.934,1188 1.971,1189 1.936,1190 2.032,1191 2.122,1192 1.137,1193 2.097,1194 1.865,1195 1.852,1196 1.938,1197 2.002,1198 1.047,1199 1.981,1200 1.462,1201 1.403,1202 1.63,1203 1.703,1204 0.742,1205 1.685,1206 1.227,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.223,1213 1.156,1214 1.57,1215 1.523,1216 0.572,1217 1.535,1218 1.163,1219 1.076,1220 1.526,1221 1.487,1222 0.556,1223 1.502,1224 1.069,1225 0.982,1226 1.361,1227 1.383,1228 0.33,1229 1.364,1230 0.992,1231 0.887,1232 1.272,1233 1.319,1234 0.09,1235 1.347,1236 4.043,1238 5.361,1240 6.889,1242 8.517,1244 10.197,1246 4.701,1250 11.479,1252 0.457,1253 3.273,1254 16.02,1262 28.96,1263 77.894,1264 165.401,1265 194.045,1266 206.8,1267 209.555,1268 217.819,1269 39.215,1270 7.255,1271 130.43,1272 130.43,1273 18,1274 12.447,1275 4.17,1276 3.248,1277 44.513,1278 104,1279 90,1280 0.214,1281 180.995,1282 304.13,1283 433.389,1284 13420,1286 18.681,1287 0.719,1288 0.567,1289 18.681,1290 14.738,1291 12.55,1292 0.448,1293 0.278,1294 7.569,1295 11.765,1296 7.322,1297 6.149,1298 12.55,1299 7.779,1300 10.98,1301 0.282,1302 0.139,1303 10.98,1304 5.405,1305 9.353,1306 0.18,1307 0.073,1308 9.353,1309 3.783,1310 8.033,1311 0.118,1312 0.038,1313 8.033,1314 2.57,1315 6.45,1316 0.077,1317 0.02,1318 6.45,1319 1.721,1320 0.339,1321 80.9,1322 0.234,1323 25.137,1324 0.579,1325 134,1326 455.099,1327 152.793,1328 429.563,1329 589.33,1330 404,1331 158,1332 436.467,1333 177.459,1334 443.071,1335 644.39,1336 411,1337 6.699}
{0 CHEMBL55191,1 1.712,2 9.435,3 3.736,4 13.958,5 94.211,6 9.439,7 0.68,8 3.74,9 3.867,10 3.496,11 3.3,12 4.957,13 3.294,14 4.206,15 4.374,16 3.911,17 3.677,18 5.431,19 3.654,20 4.415,21 4.587,22 4.014,23 3.82,24 5.625,25 3.769,26 4.471,27 4.672,28 3.92,29 3.801,30 5.609,31 3.71,32 4.487,33 4.704,34 3.87,35 3.759,36 5.616,37 3.633,38 4.398,39 4.652,40 3.543,41 3.593,42 5.429,43 3.451,44 4.13,45 4.371,46 3.555,47 3.422,48 5.18,49 3.322,50 3.967,51 4.164,52 3.467,53 3.315,54 5.172,55 3.23,56 0.099,57 0.596,58 4.944,59 2.614,60 12.109,61 3.12,62 0.244,63 0.892,64 10.803,65 4.625,66 20.124,67 5.785,68 0.389,69 1.025,70 17.022,71 5.694,72 31.162,73 6.851,74 0.353,75 1.007,76 20.281,77 6.921,78 33.939,79 8.826,80 0.462,81 0.967,82 27.632,83 7.128,84 49.175,85 8.803,86 0.469,87 0.838,88 25.422,89 6.852,90 44.975,91 8.941,92 0.251,93 0.666,94 16.76,95 5.355,96 24.147,97 7.188,98 0.256,99 0.594,100 12.188,101 3.676,102 26.966,103 4.347,104 26,105 36,106 0.307,107 0.666,108 0.788,109 0.873,110 0.883,111 0.883,112 3.188,113 0.905,114 -4.35,115 -4.29,116 -4.04,119 40.5,124 1,125 1,139 5,141 3,143 3,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 3,172 3,173 3,178 4,181 3,182 5,184 1,185 1,189 4,193 4,195 1,196 1,197 1,198 2,200 2,204 2,205 1,207 2,209 1,210 1,212 2,215 2,218 2,220 2,221 2,223 1,224 1,229 3,234 2,241 4,246 2,248 1,249 1,251 1,254 2,256 1,260 4,265 2,270 2,273 663,274 15.033,275 15.033,276 15.033,277 15.033,278 15.033,279 12.892,280 18.086,281 8.642,282 15.611,283 12.316,284 12.316,285 12.316,286 12.316,287 12.316,288 9.126,289 23.368,290 4.121,291 13.383,292 3.498,293 1.502,294 0.821,295 0.345,296 0.291,297 0.291,298 3.864,299 2,300 1,301 1,302 1,303 461,304 2.828,307 191.822,311 99.386,314 1.459,315 22.079,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49.667,327 217,328 4.542,329 3.355,330 6.505,331 4.039,332 3.089,333 4.491,334 0.916,335 10.186,336 2.938,337 4.31,338 3.124,339 6.414,340 3.913,341 2.987,342 3.928,343 0.172,344 9.769,345 2.738,346 3.786,347 2.826,348 5.386,349 3.379,350 2.44,351 3.241,353 7.06,354 2.285,355 3.507,356 2.694,357 5.064,358 3.062,359 2.174,360 2.82,362 5.933,363 1.918,364 3.427,365 2.32,366 5.016,367 2.956,368 2.038,369 2.811,371 5.796,372 1.877,373 3.371,374 2.138,375 4.94,376 2.892,377 1.972,378 2.69,380 5.695,381 1.767,382 3.066,383 2.008,384 4.734,385 2.654,386 1.77,387 2.218,389 4.871,390 1.452,391 2.458,392 1.146,393 3.806,394 2.013,395 1.038,396 1.441,398 2.716,399 1.01,400 2.378,401 1.057,402 3.707,403 1.944,404 1,405 1.343,407 2.565,408 0.942,409 1.516,410 0.858,411 2.93,412 1.124,413 0.209,414 0.258,415 0.512,416 0.179,417 1.322,418 0.386,419 2.678,420 0.82,421 0.053,422 0.064,423 0.118,424 0.034,425 0.984,426 -0.076,427 2.521,428 0.529,429 -0.394,430 -0.489,431 -1.057,432 -0.359,433 0.779,434 -0.205,435 2.37,436 0.42,437 -0.497,438 -0.606,439 -1.277,440 -0.442,441 0.606,442 -0.308,443 2.327,444 0.167,445 -0.769,446 -0.923,448 -2.023,449 -0.504,450 0.506,451 -0.7,452 2.076,453 0.132,454 -0.815,455 -1.09,457 -2.213,458 -0.77,459 11.329,460 0.493,461 0.736,462 0.032,463 33.25,464 1.446,465 17.5,466 0.761,467 15.75,468 0.685,469 16.592,470 0.721,471 24.071,472 0.651,473 23.007,474 1,475 6.561,476 0.285,477 4.375,478 0.19,479 0.241,481 0.388,485 0.906,486 1.342,487 0.543,488 0.783,489 1.07,490 0.752,491 0.742,492 1.011,493 0.558,494 0.694,495 0.462,496 0.697,497 1.06,498 1.024,499 1.002,500 0.984,501 0.944,502 1,503 0.872,504 1.185,505 0.949,506 1.144,507 0.786,508 1.13,509 1.135,510 1.033,511 1.141,512 1.151,513 1.192,514 1.212,515 0.974,516 0.691,517 1.112,518 1.004,519 1.085,520 1.062,521 0.682,522 0.986,523 0.69,524 0.841,525 0.561,526 0.806,527 1.408,528 0.962,529 1.188,530 0.938,531 1.544,532 1.04,533 6,534 0.099,535 2.889,536 2,537 1.831,538 0.556,539 0.467,540 0.311,541 0.275,542 0.171,543 5461,544 19423,545 2.016,546 37.8,548 10,551 4,555 1.656,556 1.84,557 3.223,558 1.908,560 1,562 1,564 63.334,565 1.712,566 3.707,567 4.389,568 4.865,569 4.919,570 4.919,571 2.703,572 4.263,573 4.499,574 3.361,575 850.315,576 7.739,577 9595.86,578 1,579 1,580 1,581 1,582 192.75,583 1.538,584 4.428,585 0.24,586 0.009,587 0.08,588 0.054,589 0.057,590 0.021,591 0.022,592 0.014,593 0.014,594 0.01,595 0.523,596 0.17,597 1,598 0.675,599 107.266,600 -0.181,601 -0.141,602 -0.011,603 0.038,604 -0.293,605 0.05,606 0.076,607 0.113,608 0.11,609 0.175,610 0.224,611 0.168,612 -0.082,613 0.069,614 -0.14,615 -0.085,616 -0.096,617 -0.133,618 0.008,619 -0.204,620 -0.056,621 -0.18,622 0.062,623 -0.16,624 -0.144,625 -0.087,626 -0.114,627 -0.16,628 -0.177,629 -0.224,630 -0.019,631 0.199,632 -0.097,633 0.012,634 -0.148,635 -0.013,636 0.137,637 -0.1,638 0.228,639 0.181,640 0.226,641 0.265,642 -0.338,643 0.071,644 -0.191,645 -0.001,646 -0.403,647 -0.134,648 1.535,649 2.109,650 0.696,651 17.021,652 1.018,653 1.134,654 3.123,655 9.752,656 0.718,657 3.258,658 3.611,659 3.85,660 4.111,661 4.331,662 4.29,663 4.357,664 4.407,665 4.554,666 4.489,667 5.653,668 0.687,669 349.25,670 3.258,671 4.812,672 5.659,673 6.547,674 7.41,675 8.296,676 9.166,677 10.051,678 10.924,679 11.808,680 16.2,684 2,686 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,714 1,717 2,718 37,719 17,720 1,721 25,723 39,724 15,725 13,726 3,727 3,729 3,730 4,731 2,741 13,742 2,754 1,757 14,758 6,759 4,760 8,761 2,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,807 2,810 23,811 2,816 1,821 1,828 2,836 12.5,837 6.919,838 4.944,839 1.923,840 3.319,841 1.476,842 1.01,843 4.436,844 10.289,845 3.541,846 4.22,847 4.818,848 5.424,849 6.01,850 6.216,851 6.532,852 6.875,853 7.299,854 7.337,855 1,856 37,857 8.393,859 3.535,860 7.85,861 15.681,863 12.566,865 2.35,866 54.056,870 117.711,871 78.913,872 119.275,873 78.297,877 78.913,878 196.008,879 119.275,880 8.396,881 2.106,882 113.176,883 50.357,884 19.927,885 4.227,886 117.711,887 78.297,888 117.711,889 198.189,891 78.297,893 117.711,897 11.05,898 136.782,899 128.654,901 117.711,902 119.275,903 157.211,906 117.711,907 23.136,908 58.902,910 194.448,911 117.711,912 119.275,913 157.211,915 0.595,916 0.344,917 0.186,918 0.104,919 18,920 9,921 0.077,922 3,923 1,924 1.125,925 3.44,926 183.442,927 0.125,928 16,929 104.042,933 16.054,934 6.355,935 3.418,936 1.143,937 119.275,938 9.002,939 12.558,943 3.257,945 65.794,946 394.197,947 33.5,956 37.676,957 41.954,958 0.329,959 0.712,960 0.842,961 0.934,962 0.944,963 0.944,964 4.781,965 1.038,966 5.673,967 4.871,968 4.29,969 4.905,970 0.918,971 6.491,972 4.13,973 6.027,974 1,975 7.244,976 2.716,977 4.007,978 4.856,979 0.325,980 7.38,981 3.714,982 7.354,983 0.209,984 8.907,985 2.565,986 5.9,987 7.193,988 0.671,989 10.465,990 5.612,991 8.714,992 0.053,993 10.622,994 0.512,995 6.347,996 7.896,997 0.393,998 12.137,999 5.941,1000 10.1,1001 -0.394,1002 12.371,1003 0.118,1004 7.774,1005 9.76,1006 0.533,1007 14.757,1008 7.366,1009 11.505,1010 -0.497,1011 14.143,1012 -1.057,1013 8.569,1014 10.844,1015 0.384,1016 16.782,1017 8.063,1018 12.927,1019 -0.769,1020 15.933,1021 -1.277,1022 9.807,1023 12.501,1024 0.438,1025 19.22,1026 9.281,1027 3.089,1028 -0.815,1029 17.738,1030 -2.023,1031 10.772,1032 13.785,1033 0.351,1034 21.403,1035 10.163,1036 2.987,1037 10.186,1038 19.555,1039 -2.213,1040 11.933,1041 15.346,1042 0.366,1043 23.764,1044 11.29,1045 2.44,1046 9.769,1047 21.381,1048 4.491,1049 12.978,1050 16.734,1051 0.312,1052 26.017,1053 12.263,1054 2.174,1055 7.06,1056 23.215,1057 3.928,1058 14.109,1059 18.253,1060 0.309,1061 28.347,1062 13.349,1063 2.038,1064 5.933,1065 25.055,1066 3.241,1067 15.191,1068 19.692,1069 0.273,1070 30.629,1071 14.367,1072 1.972,1073 5.796,1074 26.9,1075 2.82,1076 16.31,1077 21.194,1078 0.262,1079 32.946,1080 15.438,1081 1.77,1082 5.695,1083 28.75,1084 2.811,1085 17.41,1086 22.66,1087 0.236,1088 35.242,1089 16.478,1090 5356,1091 10212,1092 16.126,1093 26.557,1094 37.924,1095 38.718,1096 39.404,1097 37.795,1098 37.539,1099 50.61,1100 2.178,1101 110.439,1102 34.279,1103 5.374,1104 5.355,1105 5.828,1106 5.112,1107 5.089,1108 7.491,1109 1.605,1110 17.08,1111 4.938,1112 13.281,1113 1.517,1114 1.549,1115 1.576,1116 1.512,1117 1.502,1118 2.024,1119 0.087,1120 4.418,1121 1.371,1122 4.057,1123 4.1,1124 4.099,1125 3.932,1126 5.323,1127 3.949,1128 3.911,1129 3.936,1130 4.01,1131 3.846,1132 5.012,1133 3.843,1134 3.547,1135 3.614,1136 3.64,1137 3.362,1138 4.987,1139 3.381,1140 3.314,1141 3.399,1142 3.483,1143 3.104,1144 4.774,1145 3.112,1146 3.115,1147 3.229,1148 3.207,1149 2.861,1150 4.667,1151 2.859,1152 2.916,1153 3.018,1154 3.007,1155 2.822,1156 4.265,1157 2.823,1158 2.904,1159 2.918,1160 2.833,1161 2.706,1162 4.085,1163 2.702,1164 2.749,1165 2.81,1166 2.734,1167 2.62,1168 3.906,1169 2.592,1170 0.182,1171 0.134,1172 0.26,1173 0.162,1174 0.124,1175 4.542,1176 0.18,1177 3.355,1178 0.037,1179 6.505,1180 0.407,1181 4.039,1182 0.118,1183 3.089,1184 4.491,1185 0.916,1186 10.186,1187 2.938,1188 1.974,1189 1.938,1190 2.035,1191 2.123,1192 1.165,1193 2.099,1194 1.875,1195 1.855,1196 1.931,1197 1.966,1198 1.048,1199 1.969,1200 1.487,1201 1.424,1202 1.679,1203 1.702,1204 0.801,1205 1.701,1206 1.27,1207 1.188,1208 1.515,1209 1.524,1210 0.544,1211 1.533,1212 1.008,1213 0.912,1214 1.292,1215 1.383,1216 0.312,1217 1.364,1218 0.92,1219 0.827,1220 1.268,1221 1.189,1222 0.167,1223 1.23,1224 0.853,1225 0.819,1226 1.094,1227 0.999,1229 1.041,1230 0.743,1231 0.698,1232 0.919,1233 0.92,1235 0.935,1236 3.932,1238 5.273,1240 6.806,1242 8.431,1244 10.104,1246 1.909,1247 12.252,1250 11.451,1252 0.528,1257 1.955,1262 25.417,1263 63.334,1264 137.166,1265 162.385,1266 179.995,1267 181.995,1268 181.995,1269 33.674,1270 6.97,1271 93.95,1272 93.95,1273 18,1274 12.343,1275 4.17,1276 3.248,1277 36.906,1278 79,1279 70,1280 0.234,1281 166.488,1282 273.58,1283 397.99,1284 9228,1285 5.4,1286 16.56,1287 0.72,1288 0.6,1289 17.56,1290 13.805,1291 10.936,1292 0.437,1293 0.302,1294 6.749,1295 9.971,1296 6.496,1297 5.385,1298 11.513,1299 7.542,1300 10.429,1301 0.29,1302 0.165,1303 11.208,1304 5.933,1305 8.323,1306 0.181,1307 0.085,1308 8.944,1309 3.918,1310 7.055,1311 0.118,1312 0.045,1313 7.59,1314 2.718,1315 5.717,1316 0.076,1317 0.025,1318 6.454,1319 1.901,1320 0.364,1321 74.426,1322 0.249,1323 22.431,1324 0.648,1325 122,1326 367.612,1327 163.557,1328 425.741,1329 565.46,1330 394,1331 143,1332 379.331,1333 175.729,1334 406.983,1335 593.45,1336 381,1337 7.328}
{0 CHEMBL55526,1 1.581,2 8.591,3 2.815,4 7.923,5 92.28,6 7.777,7 0.522,8 3.796,9 3.945,10 3.382,11 3.288,12 4.964,13 3.265,14 4.271,15 4.487,16 3.738,17 3.645,18 5.39,19 3.598,20 4.429,21 4.625,22 3.862,23 3.799,24 5.558,25 3.734,26 4.535,27 4.768,28 3.808,29 3.808,30 5.631,31 3.726,32 4.529,33 4.742,34 3.761,35 3.806,36 5.649,37 3.724,38 4.632,39 4.894,40 3.742,41 3.812,42 5.661,43 3.67,44 4.551,45 4.832,46 3.607,47 3.639,48 5.556,49 3.464,50 4.185,51 4.447,52 3.204,53 3.319,54 5.186,55 3.148,56 0.047,57 0.635,58 8.339,59 3.051,60 10.616,61 4.49,62 0.252,63 0.911,64 15.954,65 5.287,66 22.778,67 7.662,68 0.184,69 1.041,70 19.662,71 6.091,72 23.769,73 8.986,74 0.251,75 1.091,76 23.145,77 6.842,78 35.48,79 10.166,80 0.271,81 1.119,82 21.239,83 5.95,84 35.235,85 9.167,86 0.292,87 1.068,88 25.695,89 7.95,90 42.12,91 11.762,92 0.406,93 0.829,94 32.313,95 7.595,96 49.933,97 11.276,98 0.286,99 0.621,100 20.343,101 5.342,102 29.479,103 7.6,104 43,105 32,106 0.282,107 0.664,108 0.793,109 0.831,110 0.831,111 0.831,112 3.147,113 0.942,114 -4.49,115 -4.42,116 -4.16,119 36.6,120 1,121 1,124 2,139 3,140 2,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 5,169 2,170 4,172 3,173 3,175 1,178 6,180 1,182 6,187 1,189 6,191 1,193 8,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,207 6,212 4,215 4,218 4,220 2,221 3,223 1,224 1,226 2,229 1,231 2,234 3,239 2,241 1,243 2,245 2,246 1,248 2,249 2,254 1,260 1,265 1,270 1,273 644,274 14.301,275 14.301,276 14.301,277 14.301,278 14.301,279 12.628,280 18.234,281 8.337,282 14.763,283 11.26,284 11.26,285 11.26,286 11.26,287 11.26,288 8.64,289 21.927,290 3.864,291 12.068,292 3.776,293 1.629,294 0.903,295 0.689,296 0.689,297 0.689,298 3.801,299 1,300 1,301 1,302 1,303 381,304 3.082,307 146.324,314 1.264,315 18.885,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 47.333,327 189,328 4.535,329 3.287,330 6.77,331 4.146,332 3.171,333 4.257,334 1.032,335 11.075,336 3.094,337 4.182,338 3.13,339 6.047,340 3.719,341 2.792,342 3.814,343 0.521,344 8.67,345 2.568,346 3.631,347 2.667,348 5.304,349 3.201,350 2.276,351 3.011,353 6.621,354 2.098,355 3.381,356 2.385,357 5.038,358 3.073,359 2.174,360 2.552,362 5.702,363 1.947,364 3.299,365 2.226,366 4.757,367 2.932,368 1.985,369 2.512,371 5.177,372 1.874,373 3.098,374 1.987,375 4.662,376 2.675,377 1.73,378 2.302,380 4.92,381 1.625,382 2.858,383 1.844,384 4.192,385 2.427,386 1.505,387 1.962,389 3.864,390 1.341,391 2.181,392 1.029,393 3.328,394 1.562,395 0.628,396 0.886,398 1.382,399 0.566,400 1.747,401 0.803,402 3.031,403 1.508,404 0.551,405 0.641,407 1.084,408 0.528,409 1.386,410 0.465,411 2.747,412 1.036,413 0.127,414 0.153,415 0.249,416 0.107,417 1.076,418 0.034,419 2.451,420 0.615,421 -0.25,422 -0.311,423 -0.616,424 -0.194,425 0.825,426 -0.305,427 2.276,428 0.437,429 -0.479,430 -0.587,431 -1.149,432 -0.437,433 0.669,434 -0.487,435 2.231,436 0.23,437 -0.723,438 -0.887,439 -1.91,440 -0.661,441 0.241,442 -0.6,443 1.892,444 0.016,445 -0.914,446 -1,448 -2,449 -0.813,451 -0.674,452 1.566,453 -0.1,454 -1,455 -1.047,457 -2.183,458 -0.9,459 10.614,460 0.482,461 0.668,462 0.03,463 29.5,464 1.341,465 15,466 0.682,467 14.5,468 0.659,469 16.922,470 0.769,471 24.186,472 0.59,473 21.339,474 0.97,475 5.784,476 0.263,477 4.634,478 0.211,479 0.284,481 0.367,485 0.981,486 1.498,487 0.687,488 1.017,489 1.162,490 0.946,491 0.738,492 0.752,493 0.614,494 0.648,495 0.456,496 0.681,497 1.004,498 1.285,499 0.919,500 1.067,501 0.934,502 1.013,503 0.982,504 1.104,505 0.91,506 0.967,507 0.856,508 0.936,509 1.263,510 1.268,511 1.05,512 1.146,513 1.435,514 1.191,515 0.849,516 1.012,517 0.872,518 1.005,519 0.988,520 1.056,521 1.037,522 0.942,523 1.407,524 1.17,525 0.975,526 1.041,527 1.12,528 0.844,529 1.488,530 1.206,531 1.184,532 1.188,533 5.5,534 0.058,535 2.667,536 2.063,537 1.498,538 0.958,539 0.608,540 0.314,541 0.271,542 0.096,543 4119,544 12316,545 1.919,546 46.3,547 3,548 9,550 1,551 4,552 2,555 1.65,556 1.737,557 3.088,558 1.914,559 1,560 1,562 1,564 64.836,565 1.581,566 3.728,567 4.455,568 4.668,569 4.668,570 4.668,571 2.504,572 4.096,573 4.428,574 3.223,575 744.484,576 7.636,577 8086.55,578 1,579 1,581 1,582 219.66,583 1.573,584 4.349,585 0.239,586 0.012,587 0.083,588 0.061,589 0.045,590 0.032,591 0.023,592 0.016,593 0.019,594 0.008,595 0.538,597 1,598 1.434,599 100.004,600 -0.14,601 -0.21,602 0.003,603 -0.025,604 -0.263,605 0.007,606 0.186,607 0.387,608 0.181,609 0.316,610 0.287,611 0.276,612 -0.067,613 -0.151,614 -0.004,615 -0.055,616 -0.059,617 -0.036,618 -0.034,619 -0.055,620 0.006,621 0.014,622 0.087,623 0.036,624 -0.256,625 -0.128,626 -0.229,627 -0.212,628 -0.317,629 -0.267,630 0.04,631 -0.047,632 0.038,633 -0.029,634 -0.023,635 -0.072,636 0.105,637 -0.125,638 -0.002,639 -0.101,640 0.107,641 -0.009,642 0.04,643 0.06,644 -0.193,645 -0.173,646 -0.116,647 -0.192,648 1.488,649 2.08,650 0.545,651 16.661,652 1.003,653 1.142,654 3.258,655 10.615,656 0.664,657 3.178,658 3.497,659 3.714,660 3.97,661 4.174,662 4.22,663 4.22,664 4.205,665 4.19,666 3.989,667 5.206,668 0.625,669 318.85,670 3.178,671 4.71,672 5.541,673 6.422,674 7.28,675 8.167,676 9.036,677 9.926,678 10.801,679 11.693,680 14.6,683 1,684 2,689 1,690 2,695 3,696 2,700 7,702 12,711 2,717 1,718 41,719 13,720 1,721 23,723 42,724 15,725 10,726 3,727 3,728 1,729 2,730 2,731 1,734 1,739 1,741 11,742 4,744 1,749 1,750 1,753 1,754 1,757 19,758 6,759 4,760 7,761 1,764 6,766 1,769 1,776 1,781 2,799 1,802 2,806 3,807 1,810 22,811 2,816 1,821 1,828 1,836 12.667,837 8.193,838 4.944,839 2.305,840 2.655,841 1.409,842 0.96,843 5.216,844 9.148,845 3.434,846 4.043,847 4.62,848 5.204,849 5.753,850 6.039,851 6.356,852 6.672,853 6.97,854 7.122,855 0.833,856 34,857 8.036,859 3.234,860 7.785,861 15.121,863 11.602,865 2.285,866 50.278,869 1,870 176.567,871 84.812,872 119.275,873 39.149,877 84.812,878 215.715,879 119.275,880 25.618,881 2.535,882 94.223,883 53.961,884 35.295,885 4.227,886 164.795,887 39.149,888 176.567,889 204.087,891 39.149,893 176.567,897 35.925,898 134.591,899 72.72,901 176.567,902 119.275,903 123.961,906 176.567,907 22.147,908 65.79,910 155.3,911 176.567,912 119.275,913 123.961,915 0.58,916 0.329,917 0.179,918 0.103,919 14,920 8,921 0.095,922 4,924 1,925 3.234,926 166.557,928 12,929 96.107,933 16.525,934 6.944,935 3.884,937 119.275,938 5.53,939 8.312,943 4.197,945 65.794,946 419.803,947 30,952 1.689,953 4.357,956 41.12,957 46.84,958 0.295,959 0.696,960 0.831,961 0.871,962 0.871,963 0.871,964 4.663,965 0.628,966 5.549,967 3.864,968 4.174,969 4.727,970 1.224,971 6.365,972 4.047,973 5.893,974 0.551,975 7.119,976 1.382,977 3.892,978 4.62,979 0.325,980 7.314,981 3.684,982 7.208,983 0.127,984 8.787,985 1.084,986 5.771,987 6.944,988 1.085,989 10.402,990 5.553,991 8.558,992 -0.25,993 10.512,994 0.249,995 6.236,996 7.597,997 0.43,998 12.178,999 5.96,1000 9.938,1001 -0.479,1002 12.275,1003 -0.616,1004 7.652,1005 9.441,1006 1.046,1007 14.818,1008 7.367,1009 11.339,1010 -0.723,1011 14.065,1012 -1.149,1013 8.471,1014 10.471,1015 0.529,1016 16.957,1017 8.151,1018 12.758,1019 -0.914,1020 15.876,1021 -1.91,1022 9.709,1023 12.102,1024 1.035,1025 19.438,1026 9.376,1027 3.171,1028 -1,1029 17.705,1030 -2,1031 10.699,1032 13.327,1033 0.62,1034 21.73,1035 10.343,1036 2.792,1037 11.075,1038 19.547,1039 -2.183,1040 11.868,1041 14.856,1042 1.036,1043 24.155,1044 11.498,1045 2.276,1046 8.67,1047 21.401,1048 4.257,1049 12.938,1050 16.181,1051 0.701,1052 26.511,1053 12.549,1054 2.174,1055 6.621,1056 23.264,1057 3.814,1058 14.084,1059 17.661,1060 1.044,1061 28.918,1062 13.679,1063 1.985,1064 5.702,1065 25.135,1066 3.011,1067 15.192,1068 19.038,1069 0.775,1070 31.299,1071 14.77,1072 1.73,1073 5.177,1074 27.013,1075 2.552,1076 16.331,1077 20.495,1078 1.058,1079 33.702,1080 15.893,1081 1.505,1082 4.92,1083 28.895,1084 2.512,1085 17.457,1086 21.9,1087 0.843,1088 36.095,1089 17.002,1090 4319,1091 7583,1092 14.334,1093 27.222,1094 34.507,1095 34.825,1096 36.171,1097 34.041,1098 33.879,1099 44.178,1100 3.107,1101 97.49,1102 31.499,1103 5.217,1104 5.287,1105 6.292,1106 5.216,1107 5.171,1108 7.257,1109 1.954,1110 17.964,1111 5.094,1112 14.234,1113 1.5,1114 1.514,1115 1.573,1116 1.48,1117 1.473,1118 1.921,1119 0.135,1120 4.239,1121 1.37,1122 4.015,1123 4.048,1124 4.056,1125 3.938,1126 5.286,1127 3.942,1128 3.777,1129 3.828,1130 3.825,1131 3.635,1132 4.994,1133 3.65,1134 3.579,1135 3.664,1136 3.478,1137 3.337,1138 4.959,1139 3.353,1140 3.392,1141 3.485,1142 3.286,1143 3.192,1144 4.579,1145 3.184,1146 3.118,1147 3.222,1148 3.204,1149 2.904,1150 4.465,1151 2.918,1152 3.029,1153 3.122,1154 2.937,1155 2.828,1156 4.227,1157 2.827,1158 2.875,1159 3.009,1160 2.874,1161 2.622,1162 4.01,1163 2.64,1164 2.874,1165 2.959,1166 2.578,1167 2.618,1168 3.965,1169 2.57,1170 0.197,1171 0.143,1172 0.294,1173 0.18,1174 0.138,1175 4.535,1176 0.185,1177 3.287,1178 0.045,1179 6.77,1180 0.482,1181 4.146,1182 0.135,1183 3.171,1184 4.257,1185 1.032,1186 11.075,1187 3.094,1188 1.961,1189 1.938,1190 2.027,1191 2.064,1192 1.191,1193 2.055,1194 1.716,1195 1.672,1196 1.863,1197 1.896,1198 1.009,1199 1.885,1200 1.521,1201 1.43,1202 1.789,1203 1.772,1204 0.848,1205 1.784,1206 1.381,1207 1.295,1208 1.615,1209 1.632,1210 0.598,1211 1.652,1212 1.037,1213 0.963,1214 1.417,1215 1.374,1216 0.469,1217 1.358,1218 0.981,1219 0.902,1220 1.272,1221 1.252,1222 0.232,1223 1.308,1224 0.934,1225 0.804,1226 1.246,1227 1.239,1228 0.136,1229 1.26,1230 0.814,1231 0.716,1232 1.123,1233 1.098,1234 0.077,1235 1.118,1236 3.85,1238 5.165,1240 6.673,1242 8.282,1244 9.946,1246 5.774,1247 6.191,1250 11.694,1252 0.7,1257 1.834,1262 25.644,1263 64.836,1264 152.851,1265 182.64,1266 191.395,1267 191.395,1268 191.395,1269 37.091,1270 6.494,1271 93.42,1272 93.42,1273 12,1274 12.224,1275 3.807,1276 3,1277 41.992,1278 67,1279 70,1280 0.314,1281 168.476,1282 284.27,1283 402.841,1284 4574,1285 2.4,1286 16.276,1287 0.74,1288 0.618,1289 16.776,1290 13.594,1291 10.418,1292 0.453,1293 0.314,1294 6.77,1295 9.742,1296 6.451,1297 5.47,1298 10.707,1299 7.222,1300 9.581,1301 0.299,1302 0.169,1303 9.952,1304 5.424,1305 7.267,1306 0.182,1307 0.084,1308 7.647,1309 3.346,1310 6.066,1311 0.117,1312 0.043,1313 6.301,1314 2.228,1315 4.802,1316 0.075,1317 0.024,1318 5.044,1319 1.518,1320 0.477,1321 68.312,1322 0.264,1323 21.348,1324 0.907,1325 110,1326 317.408,1327 135.094,1328 347.873,1329 467.29,1330 322,1331 127,1332 327.412,1333 148.527,1334 347.67,1335 502.14,1336 323,1337 5.456}
{0 CHEMBL55584,1 1.66,2 10.192,3 3.467,4 12.023,5 109.845,6 7.559,7 0.444,8 3.993,9 4.142,10 3.544,11 3.449,12 5.151,13 3.426,14 4.488,15 4.697,16 3.875,17 3.801,18 5.577,19 3.746,20 4.718,21 4.961,22 4.019,23 3.927,24 5.78,25 3.87,26 4.717,27 4.94,28 4.014,29 3.944,30 5.865,31 3.888,32 4.805,33 5.038,34 3.945,35 3.98,36 5.924,37 3.905,38 4.877,39 5.147,40 3.936,41 4.002,42 5.886,43 3.874,44 4.795,45 5.058,46 3.967,47 3.914,48 5.854,49 3.772,50 4.591,51 4.827,52 3.752,53 3.747,54 5.698,55 3.601,56 0.128,57 0.752,58 10.808,59 3.965,60 16.761,61 5.755,62 0.283,63 1.079,64 20.018,65 6.649,66 31.587,67 9.795,68 0.445,69 1.24,70 28.428,71 6.882,72 43.387,73 11.32,74 0.43,75 1.292,76 27.616,77 6.906,78 49.066,79 11.258,80 0.493,81 1.357,82 28.413,83 7.023,84 60.135,85 11.79,86 0.463,87 1.274,88 33.39,89 9.453,90 60.026,91 14.529,92 0.563,93 1.05,94 37.413,95 9.386,96 67.417,97 13.909,98 0.514,99 0.863,100 33.543,101 8.144,102 56.271,103 11.346,104 53,105 36,106 0.283,107 0.651,108 0.819,109 0.883,110 0.883,111 0.883,112 3.304,113 0.985,114 -4.27,115 -4.21,116 -3.98,119 34,120 2,121 2,125 3,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 6,169 2,170 5,172 3,173 3,175 1,178 6,180 1,182 9,185 1,187 1,189 6,191 1,193 13,195 1,196 2,197 1,198 5,200 2,201 4,204 5,205 1,207 9,210 1,212 5,215 4,218 4,220 2,221 3,223 1,224 1,226 3,229 2,231 2,233 2,234 4,236 1,237 1,239 3,241 5,243 2,245 2,246 2,248 2,249 2,251 3,254 6,260 1,262 1,263 1,265 3,268 2,270 1,273 1000,274 17.455,275 17.455,276 17.455,277 17.455,278 17.455,279 15.783,280 21.392,281 10.509,282 17.899,283 13.174,284 13.174,285 13.174,286 13.174,287 13.174,288 10.575,289 26.219,290 4.712,291 13.971,292 3.984,293 1.83,294 0.845,295 0.47,296 0.47,297 0.47,298 3.966,299 1,300 1,301 1,302 1,303 533,304 3.674,307 182.914,314 1.577,315 27.558,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 56.833,327 265,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.4,335 11.076,336 3.094,337 4.184,338 3.111,339 6.048,340 3.728,341 2.797,342 3.815,344 8.675,345 2.587,346 3.647,347 2.712,348 5.33,349 3.408,350 2.464,351 3.013,353 6.914,354 2.32,355 3.537,356 2.385,357 5.295,358 3.178,359 2.254,360 2.649,362 6.606,363 2.067,364 3.3,365 2.226,366 5.038,367 2.932,368 1.985,369 2.548,371 5.702,372 1.876,373 3.109,374 1.973,375 4.756,376 2.682,377 1.733,378 2.323,380 4.932,381 1.638,382 2.935,383 1.818,384 4.236,385 2.469,386 1.547,387 2.054,389 3.966,390 1.373,391 2.405,392 1.579,393 3.329,394 2.207,395 1.247,396 1.247,398 2.117,399 1.193,400 2.247,401 1.098,402 3.295,403 1.972,404 1,405 1.244,407 1.947,408 0.966,409 1.763,410 0.831,411 3.247,412 1.55,413 0.589,414 0.672,415 1.155,416 0.551,417 1.699,418 0.637,419 2.755,420 1.433,421 0.483,422 0.578,423 0.848,424 0.451,425 1.381,426 0.396,427 2.684,428 1.038,429 0.124,430 0.149,431 0.24,432 0.106,433 1.075,434 0.028,435 2.446,436 0.643,437 -0.239,438 -0.292,439 -0.568,440 -0.19,441 0.825,442 -0.095,443 2.254,444 0.467,445 -0.445,446 -0.445,448 -0.632,449 -0.402,450 0.674,451 -0.305,452 2.196,453 0.438,454 -0.478,455 -0.587,457 -1.148,458 -0.437,459 12.348,460 0.475,461 0.592,462 0.023,463 31.25,464 1.202,465 15,466 0.577,467 16.25,468 0.625,469 23.621,470 0.908,471 29.652,472 0.593,473 23.833,474 0.917,475 5.993,476 0.231,477 6.501,478 0.25,479 0.231,481 0.316,485 0.894,486 1.331,487 0.728,488 1.044,489 1.073,490 0.992,491 0.733,492 1.124,493 0.686,494 0.954,495 0.656,496 0.92,497 1.034,498 1.112,499 0.83,500 0.791,501 0.857,502 0.778,503 0.966,504 1.263,505 0.967,506 1.052,507 0.73,508 1.009,509 1.185,510 1.212,511 0.953,512 1.025,513 1.206,514 1.105,515 0.89,516 0.964,517 0.843,518 0.921,519 0.942,520 0.964,521 0.933,522 0.898,523 1.203,524 1.075,525 0.952,526 0.991,527 1.195,528 0.91,529 1.8,530 1.355,531 1.107,532 1.22,533 5.5,534 0.14,535 2.889,536 2.188,537 1.578,538 1.014,539 0.69,540 0.408,541 0.337,542 0.167,543 6843,544 20452,545 1.931,546 48,547 6,548 9,551 5,552 2,553 2,555 1.694,556 1.773,557 3.327,558 2.634,560 1,564 83.015,565 1.66,566 3.814,567 4.799,568 5.174,569 5.174,570 5.174,571 2.738,572 3.902,573 4.67,574 3.493,575 1135.08,576 8.113,577 14287.5,579 1,581 1,582 282.193,583 1.526,584 4.606,585 0.204,586 0.008,587 0.08,588 0.055,589 0.039,590 0.028,591 0.021,592 0.014,593 0.014,594 0.008,595 0.471,597 1,598 1.855,599 127.077,600 -0.039,601 0.026,602 0.001,603 0.034,604 -0.17,605 0.023,606 0.118,607 0.042,608 0.121,609 0.076,610 0.114,611 0.085,612 -0.057,613 -0.039,614 0.115,615 0.175,616 -0.026,617 0.184,618 -0.02,619 -0.117,620 -0.042,621 -0.078,622 0.084,623 -0.049,624 -0.201,625 -0.076,626 -0.164,627 -0.107,628 -0.199,629 -0.177,630 -0.015,631 0.008,632 0.069,633 0.056,634 -0.049,635 0.024,636 0.13,637 -0.008,638 0.104,639 0.001,640 0.075,641 0.04,642 0.025,643 0.014,644 -0.204,645 -0.208,646 -0.004,647 -0.175,648 1.517,649 3.111,650 0.462,651 23.385,652 1.006,653 1.148,654 3.043,655 9.262,656 0.644,657 3.332,658 3.611,659 3.85,660 4.094,661 4.263,662 4.317,663 4.357,664 4.369,665 4.382,666 4.331,667 6.197,668 0.609,669 377.93,670 3.332,671 4.844,672 5.673,673 6.541,674 7.394,675 8.272,676 9.136,677 10.018,678 10.888,679 11.774,680 14,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 50,719 13,720 1,721 27,723 51,724 17,725 10,726 3,727 3,729 2,730 2,731 1,734 3,739 2,741 10,742 7,744 1,750 2,754 1,757 24,758 8,759 5,760 9,761 1,764 7,769 1,770 1,771 1,776 1,781 2,800 1,802 2,806 2,807 1,810 26,811 2,815 1,816 5,821 1,828 1,829 2,830 1,836 14.667,837 9.26,838 6.111,839 3.152,840 2.764,841 1.407,842 0.922,843 7.572,844 9.561,845 3.555,846 4.111,847 4.677,848 5.252,849 5.785,850 6.078,851 6.417,852 6.745,853 7.062,854 7.283,855 0.857,856 40,857 9.536,859 3.844,860 7.857,861 17.958,863 13.834,865 2.357,866 61.278,868 1,869 1,870 223.651,871 74.972,872 135.571,873 39.149,874 42.683,877 74.972,878 305.483,879 135.571,880 17.65,881 12.282,882 136.906,883 33.571,884 15.385,885 37.431,886 223.651,887 39.149,888 223.651,889 210.543,890 42.683,891 39.149,893 200.109,894 23.542,895 42.683,897 34.589,898 109.18,899 105.923,901 223.651,902 178.254,903 114.121,906 223.651,907 28.893,908 49.081,910 214.401,911 223.651,912 178.254,913 114.121,915 0.56,916 0.333,917 0.189,918 0.1,919 14,920 8,921 0.157,922 8,924 1,925 3.624,926 205.613,928 12,929 122.211,933 20.365,934 9.668,935 5.275,937 178.254,938 5.36,939 8.322,943 3.696,945 108.478,946 516.026,947 34,953 8.413,956 50.316,957 57.378,958 0.294,959 0.676,960 0.85,961 0.917,962 0.917,963 0.917,964 4.771,965 1.247,966 5.652,967 3.966,968 4.29,969 4.796,970 0.278,971 6.454,972 4.18,973 5.967,974 1,975 7.209,976 2.117,977 3.892,978 4.62,980 7.372,981 3.696,982 7.268,983 0.589,984 8.867,985 1.947,986 5.866,987 6.974,988 0.05,989 10.467,990 5.669,991 8.608,992 0.483,993 10.585,994 1.155,995 6.275,996 7.607,998 12.226,999 6.012,1000 9.98,1001 0.124,1002 12.342,1003 0.848,1004 7.73,1005 9.456,1006 0.008,1007 14.856,1008 7.462,1009 11.376,1010 -0.239,1011 14.126,1012 0.24,1013 8.52,1014 10.478,1016 16.982,1017 8.209,1018 12.79,1019 -0.445,1020 15.932,1021 -0.568,1022 9.769,1023 12.109,1024 0.001,1025 19.457,1026 9.447,1027 3.171,1028 -0.478,1029 17.755,1030 -0.632,1031 10.743,1032 13.331,1034 21.742,1035 10.392,1036 2.797,1037 11.076,1038 19.591,1039 -1.148,1040 11.913,1041 14.859,1043 24.164,1044 11.548,1045 2.464,1046 8.675,1047 21.439,1048 4.257,1049 12.973,1050 16.183,1052 26.516,1053 12.587,1054 2.254,1055 6.914,1056 23.297,1057 3.815,1058 14.116,1059 17.663,1061 28.921,1062 13.714,1063 1.985,1064 6.606,1065 25.163,1066 3.013,1067 15.218,1068 19.04,1070 31.302,1071 14.797,1072 1.733,1073 5.702,1074 27.036,1075 2.649,1076 16.354,1077 20.496,1079 33.703,1080 15.917,1081 1.547,1082 4.932,1083 28.915,1084 2.548,1085 17.476,1086 21.901,1088 36.096,1089 17.021,1090 7109,1091 12435,1092 17.107,1093 32.205,1094 39.262,1095 39.559,1096 41.567,1097 38.998,1098 38.789,1099 49.094,1100 0.8,1101 108.358,1102 36.447,1103 5.337,1104 5.278,1105 6.572,1106 5.216,1107 5.171,1108 7.257,1109 0.8,1110 17.964,1111 5.094,1112 16.204,1113 1.454,1114 1.465,1115 1.54,1116 1.444,1117 1.437,1118 1.818,1119 0.03,1120 4.013,1121 1.35,1122 4.014,1123 4.049,1124 4.055,1125 3.935,1126 6.456,1127 3.939,1128 3.779,1129 3.841,1130 3.824,1131 3.629,1132 5.287,1133 3.644,1134 3.701,1135 3.763,1136 3.595,1137 3.512,1138 5.037,1139 3.512,1140 3.441,1141 3.518,1142 3.293,1143 3.237,1144 4.975,1145 3.227,1146 3.392,1147 3.485,1148 3.236,1149 3.193,1150 4.713,1151 3.184,1152 3.154,1153 3.246,1154 3.204,1155 2.906,1156 4.465,1157 2.931,1158 3.082,1159 3.191,1160 3.053,1161 2.824,1162 4.226,1163 2.84,1164 2.881,1165 2.975,1166 2.9,1167 2.649,1168 4.107,1169 2.646,1170 0.168,1171 0.121,1172 0.251,1173 0.154,1174 0.117,1175 4.535,1176 0.158,1177 3.278,1178 0.015,1179 6.77,1180 0.41,1181 4.146,1182 0.115,1183 3.171,1184 4.257,1185 0.4,1186 11.076,1187 3.094,1188 1.957,1189 1.935,1190 2.024,1191 2.064,1192 1.2,1193 2.053,1194 1.714,1195 1.667,1196 1.937,1197 1.93,1198 1.187,1199 1.927,1200 1.665,1201 1.594,1202 1.849,1203 1.839,1204 1.004,1205 1.847,1206 1.433,1207 1.358,1208 1.735,1209 1.681,1210 0.964,1211 1.706,1212 1.381,1213 1.296,1214 1.615,1215 1.633,1216 0.596,1217 1.652,1218 1.037,1219 0.959,1220 1.35,1221 1.388,1222 0.49,1223 1.364,1224 0.988,1225 0.904,1226 1.267,1227 1.351,1228 0.184,1229 1.338,1230 0.877,1231 0.787,1232 1.15,1233 1.134,1234 0.129,1235 1.15,1236 4.007,1238 5.293,1240 6.783,1242 8.378,1244 10.03,1246 4.002,1247 6.256,1250 11.756,1251 9.111,1252 2.665,1257 1.696,1262 30.433,1263 83.015,1264 190.683,1265 239.928,1266 258.683,1267 258.683,1268 258.683,1269 58.643,1270 6.797,1271 126.01,1272 126.01,1273 12,1274 12.309,1275 3.807,1276 3,1277 54.814,1278 97,1279 96,1280 0.283,1281 198.451,1282 338.66,1283 475.98,1284 7052,1285 2,1286 19.104,1287 0.735,1288 0.605,1289 19.604,1290 15.739,1291 12.494,1292 0.463,1293 0.328,1294 8.393,1295 11.68,1296 8.134,1297 6.826,1298 12.783,1299 8.867,1300 10.631,1301 0.295,1302 0.169,1303 11.002,1304 6.082,1305 8.492,1306 0.185,1307 0.088,1308 8.872,1309 4.037,1310 7.218,1311 0.122,1312 0.046,1313 7.453,1314 2.703,1315 5.421,1316 0.077,1317 0.024,1318 5.663,1319 1.705,1320 0.44,1321 81.761,1322 0.242,1323 24.975,1324 0.788,1325 126,1326 385.203,1327 154.92,1328 407.159,1329 545.31,1330 378,1331 145,1332 384.809,1333 170.271,1334 396.821,1335 574.84,1336 373,1337 6.357}
{0 CHEMBL55656,1 1.56,2 10.208,3 3.695,4 13.655,5 99.529,6 8.55,7 0.815,8 3.788,9 3.906,10 3.526,11 3.448,12 4.975,13 3.406,14 4.237,15 4.374,16 3.897,17 3.836,18 5.416,19 3.763,20 4.449,21 4.627,22 4.002,23 3.95,24 5.563,25 3.856,26 4.431,27 4.613,28 3.869,29 3.908,30 5.506,31 3.763,32 4.415,33 4.631,34 3.624,35 3.775,36 5.424,37 3.613,38 4.332,39 4.59,40 3.485,41 3.585,42 5.267,43 3.441,44 4.117,45 4.357,46 3.339,47 3.48,48 5.036,49 3.357,50 3.972,51 4.166,52 3.349,53 3.399,54 5.056,55 3.326,56 0.037,57 0.614,58 6.718,59 3.143,60 9.807,61 3.673,62 0.122,63 0.974,64 13.458,65 5.957,66 17.008,67 6.994,68 0.207,69 1.202,70 18.055,71 6.987,72 23.463,73 8.197,74 0.123,75 1.143,76 19.809,77 8.104,78 21.905,79 9.368,80 0.158,81 1.1,82 21.39,83 7.94,84 28.49,85 9.255,86 0.211,87 0.994,88 20.233,89 6.62,90 28.54,91 8.489,92 0.085,93 0.766,94 15.81,95 6.049,96 14.983,97 7.735,98 0.076,99 0.698,100 9.984,101 3.995,102 13.827,103 5.221,104 5,105 38,106 0.272,107 0.574,108 0.708,109 0.835,110 0.878,111 0.896,112 3.228,113 0.943,114 -4.94,115 -4.85,116 -4.55,119 46.2,125 1,139 9,140 2,141 1,143 3,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 2,172 3,173 3,178 13,181 2,182 3,184 1,185 1,189 13,193 1,195 1,196 1,197 1,198 2,200 2,201 9,204 2,205 1,207 3,209 1,210 1,212 2,215 5,218 2,221 5,226 1,229 5,231 1,234 3,241 6,246 5,251 3,254 4,256 3,260 6,265 3,268 1,270 3,273 722,274 16.447,275 16.447,276 16.447,277 16.447,278 16.447,279 13.824,280 11.604,281 9.694,282 16.853,283 13.353,284 13.353,285 13.353,286 13.353,287 13.353,288 9.446,289 12.011,290 4.613,291 14.049,292 3.725,293 1.995,294 1.232,295 0.5,296 0.256,297 0.154,298 3.932,300 1,301 1,302 1,303 544,304 2.449,307 226.72,311 193.163,314 1.458,315 15.877,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50.5,327 245,328 4.542,329 4.458,330 6.508,331 4.034,332 3.081,333 4.491,334 3.272,335 10.202,336 2.961,337 4.492,338 3.191,339 6.5,340 4.003,341 3.028,342 4.429,344 10.168,345 2.93,346 3.777,347 3.032,348 5.339,349 3.359,350 2.423,351 3.237,353 6.929,354 2.266,355 3.509,356 2.597,357 5.172,358 3.044,359 2.117,360 2.906,362 6.198,363 1.953,364 3.427,365 2.266,366 5.062,367 2.959,368 2.023,369 2.811,371 5.8,372 1.884,373 3.358,374 2.096,375 4.966,376 2.89,377 1.941,378 2.686,380 5.732,381 1.834,382 3.118,383 1.889,384 4.167,385 2.618,386 1.618,387 2.427,389 3.801,390 1.618,391 2.77,392 1.618,393 3.71,394 2.272,395 1.277,396 1.904,398 2.853,399 1.27,400 2.458,401 1.316,402 3.601,403 1.977,404 1.041,405 1.441,407 2.565,408 0.965,409 2.41,410 1.176,411 3.419,412 1.936,413 1,414 1.376,415 2.369,416 0.924,417 1.881,418 1.057,419 3.125,420 1.495,421 0.592,422 0.745,423 1.402,424 0.524,425 1.391,426 0.386,427 2.733,428 0.949,429 0.034,430 0.045,431 0.086,432 0.031,433 1.028,434 0.225,435 2.569,436 0.572,437 -0.366,438 -0.485,439 -0.925,440 -0.336,441 0.951,442 -0.293,443 2.448,444 0.463,445 -0.459,446 -0.59,448 -1.169,449 -0.419,450 0.882,451 -0.488,452 2.301,453 0.382,454 -0.618,455 -0.927,457 -1.478,458 -0.618,459 11.833,460 0.493,461 0.554,462 0.023,463 37,464 1.542,465 21.5,466 0.896,467 15.5,468 0.646,469 15.42,470 0.643,471 23.567,472 0.604,473 24.141,474 1.006,475 7.057,476 0.294,477 4.646,478 0.194,479 0.068,481 0.338,485 1.088,486 0.963,487 0.727,488 0.719,489 1.286,490 0.716,491 0.522,492 0.961,493 0.973,494 1.039,495 0.478,496 0.917,497 1.018,498 0.882,499 1.02,500 0.93,501 0.858,502 0.907,503 0.785,504 1.108,505 1.321,506 1.303,507 0.687,508 1.203,509 1.056,510 1.076,511 1.42,512 1.306,513 1.153,514 1.233,515 1.08,516 0.891,517 0.99,518 0.966,519 1.103,520 0.959,521 0.632,522 0.875,523 0.865,524 0.912,525 0.527,526 0.839,527 0.974,528 1.062,529 0.747,530 0.904,531 1.003,532 0.979,533 4.5,534 0.103,535 2.667,536 1.5,537 1.493,538 0.444,539 0.283,540 0.236,541 0.209,542 0.177,543 6919,544 18655,545 2.161,546 38.5,548 11,551 4,555 1.665,556 2.057,557 3.309,558 1.777,560 1,564 60.859,565 1.56,566 3.29,567 4.054,568 4.785,569 5.029,570 5.132,571 2.709,572 4.054,573 4.563,574 3.451,575 952.501,576 7.851,577 11218.6,578 1,579 1,581 1,582 206.131,583 1.281,584 4.532,585 0.167,586 0.006,587 0.07,588 0.038,589 0.047,590 0.018,591 0.013,592 0.011,593 0.009,594 0.009,595 0.389,596 0.17,597 1,598 0.49,599 114.344,600 -0.188,601 0.093,602 0.034,603 0.141,604 -0.318,605 0.105,606 0.327,607 0.07,608 -0.007,609 -0.044,610 0.246,611 -0.025,612 0.03,613 0.167,614 0.005,615 0.071,616 -0.013,617 0.006,618 0.053,619 -0.116,620 -0.138,621 -0.174,622 0.139,623 -0.217,624 -0.117,625 -0.096,626 -0.242,627 -0.198,628 -0.145,629 -0.223,630 -0.061,631 0.053,632 0.079,633 0.058,634 -0.139,635 0.083,636 0.103,637 0.007,638 0.147,639 0.122,640 0.162,641 0.233,642 -0.071,643 -0.106,644 -0.006,645 -0.068,646 -0.09,647 -0.056,648 1.5,649 1.907,650 0.833,651 17.924,652 1,653 1.115,654 3.715,655 13.799,656 0.73,657 3.332,658 3.664,659 3.951,660 4.234,661 4.477,662 4.466,663 4.543,664 4.635,665 4.779,666 4.754,667 6.008,668 0.69,669 333.45,670 3.332,671 4.875,672 5.733,673 6.616,674 7.487,675 8.372,676 9.247,677 10.131,678 11.008,679 11.891,680 12.8,684 2,690 3,694 4,695 9,696 3,700 4,702 22,711 2,718 39,719 22,720 2,721 27,723 42,724 18,725 17,726 3,727 7,729 4,730 6,741 17,742 1,753 1,754 1,757 15,758 5,759 4,760 6,761 1,764 5,769 0.5,775 1,776 1,781 4,785 2,802 2,803 1,804 1,810 24,811 2,816 1,819 1,836 11.667,837 6.933,838 5.194,839 2.133,840 4.538,841 1.605,842 1.062,843 3.868,844 12.044,845 3.664,846 4.357,847 5.024,848 5.672,849 6.281,850 6.536,851 6.902,852 7.272,853 7.694,854 7.683,855 0.857,856 39,857 8.795,859 3.758,860 7.653,861 16.848,863 13.952,865 2.153,866 51.667,870 129.482,871 136.374,872 116.151,876 32.22,877 104.155,878 129.482,879 116.151,881 0.9,882 151.081,883 50.357,884 13.742,885 4.227,886 161.702,888 129.482,889 220.306,891 32.22,893 129.482,897 9.844,898 160.105,899 50.357,900 32.22,901 129.482,902 116.151,903 136.374,906 129.482,907 51.088,908 85.286,910 116.151,911 129.482,912 116.151,913 136.374,915 0.583,916 0.345,917 0.196,918 0.108,919 20,920 8,921 0.071,922 3,923 2,924 1.2,925 3.693,926 199.238,927 0.2,928 20,929 108.039,930 1,933 15.034,934 6.174,935 2.984,936 3.752,937 116.151,938 18.535,939 12.716,943 2.645,945 65.794,946 382.007,947 38,956 39.003,957 43.488,958 0.295,959 0.623,960 0.767,961 0.905,962 0.951,963 0.971,964 4.879,965 1.277,966 5.714,967 3.801,968 4.344,969 5.043,970 3.11,971 6.524,972 4.247,973 6.114,974 1.041,975 7.268,976 2.853,977 3.892,978 4.913,980 7.402,981 3.753,982 7.437,983 1,984 8.921,985 2.565,986 5.932,987 7.38,988 5.44,989 10.513,990 5.753,991 8.798,992 0.592,993 10.634,994 2.369,995 6.293,996 8.087,998 12.23,999 6.073,1000 10.191,1001 0.034,1002 12.386,1003 1.402,1004 7.8,1005 10.012,1006 7.807,1007 14.848,1008 7.549,1009 11.607,1010 -0.366,1011 14.165,1012 0.086,1013 8.558,1014 11.132,1016 16.917,1017 8.27,1018 13.042,1019 -0.459,1020 15.964,1021 -0.925,1022 9.837,1023 12.819,1024 10.177,1025 19.357,1026 9.52,1027 3.081,1028 -0.618,1029 17.778,1030 -1.169,1031 10.789,1032 14.142,1034 21.573,1035 10.435,1036 3.028,1037 10.202,1038 19.604,1039 -1.478,1040 11.971,1041 15.723,1042 12.548,1043 23.943,1044 11.588,1045 2.423,1046 10.168,1047 21.439,1048 4.491,1049 13.013,1050 17.14,1052 26.22,1053 12.593,1054 2.117,1055 6.929,1056 23.281,1057 4.429,1058 14.155,1059 18.674,1060 14.919,1061 28.562,1062 13.703,1063 2.023,1064 6.198,1065 25.13,1066 3.237,1067 15.238,1068 20.134,1070 30.864,1071 14.749,1072 1.941,1073 5.8,1074 26.983,1075 2.906,1076 16.364,1077 21.647,1078 17.29,1079 33.194,1080 15.842,1081 1.618,1082 5.732,1083 28.84,1084 2.811,1085 17.465,1086 23.127,1088 35.507,1089 16.907,1090 6448,1091 10726,1092 18.493,1093 28.483,1094 40.522,1095 43.605,1096 41.213,1097 40.316,1098 40.35,1099 56.996,1100 6.545,1101 116.213,1102 38.32,1103 5.37,1104 6.458,1105 6.197,1106 5.153,1107 5.081,1108 7.491,1109 6.545,1110 17.096,1111 4.961,1112 8.834,1113 1.501,1114 1.615,1115 1.526,1116 1.493,1117 1.494,1118 2.111,1119 0.242,1120 4.304,1121 1.419,1122 4.09,1123 4.115,1124 4.141,1125 4.062,1126 5.323,1127 4.046,1128 4.025,1129 4.059,1130 4,1131 3.907,1132 4.988,1133 3.926,1134 3.53,1135 3.584,1136 3.677,1137 3.458,1138 4.892,1139 3.419,1140 3.446,1141 3.494,1142 3.368,1143 3.328,1144 4.769,1145 3.329,1146 3.147,1147 3.23,1148 3.236,1149 3.087,1150 4.332,1151 3.04,1152 3.108,1153 3.189,1154 3.007,1155 2.863,1156 4.215,1157 2.873,1158 2.961,1159 3.024,1160 2.838,1161 2.788,1162 3.91,1163 2.802,1164 2.666,1165 2.745,1166 2.598,1167 2.575,1168 3.852,1169 2.56,1170 0.168,1171 0.165,1172 0.241,1173 0.149,1174 0.114,1175 4.542,1176 0.166,1177 4.458,1178 0.121,1179 6.508,1180 0.378,1181 4.034,1182 0.11,1183 3.081,1184 4.491,1185 3.272,1186 10.202,1187 2.961,1188 2.067,1189 2.052,1190 2.138,1191 2.12,1192 1.294,1193 2.128,1194 1.962,1195 1.928,1196 2.015,1197 2.1,1198 1.11,1199 2.083,1200 1.501,1201 1.466,1202 1.655,1203 1.658,1204 0.778,1205 1.659,1206 1.428,1207 1.376,1208 1.569,1209 1.578,1210 0.67,1211 1.6,1212 1.133,1213 1.092,1214 1.314,1215 1.383,1216 0.362,1217 1.364,1218 1.009,1219 0.933,1220 1.271,1221 1.277,1222 0.299,1223 1.325,1224 0.96,1225 0.873,1226 1.222,1227 1.133,1228 0.061,1229 1.166,1230 0.69,1231 0.638,1232 0.948,1233 0.919,1235 0.933,1236 4.007,1238 5.333,1240 6.868,1242 8.502,1244 10.187,1250 11.523,1252 0.744,1255 1.752,1262 26.928,1263 60.859,1264 128.317,1265 158.092,1266 186.621,1267 196.131,1268 200.131,1269 27.672,1270 7.506,1271 90.71,1272 116.01,1273 24,1274 12.426,1275 4.524,1276 3.585,1277 34.017,1278 89,1279 76,1280 0.19,1281 169.687,1282 274.03,1283 405.797,1284 19727,1286 16.518,1287 0.688,1288 0.568,1289 16.872,1290 13.624,1291 11.704,1292 0.433,1293 0.314,1294 7.52,1295 10.978,1296 7.259,1297 6.013,1298 12.158,1299 8.483,1300 10.634,1301 0.28,1302 0.169,1303 11.184,1304 6.421,1305 9.036,1306 0.177,1307 0.096,1308 9.762,1309 4.877,1310 7.913,1311 0.116,1312 0.053,1313 8.676,1314 3.63,1315 6.551,1316 0.075,1317 0.03,1318 7.303,1319 2.616,1320 0.299,1321 76.564,1322 0.233,1323 23.45,1324 0.516,1325 130,1326 338.42,1327 160.719,1328 363.748,1329 511.98,1330 342,1331 154,1332 378.198,1333 182.398,1334 400.42,1335 587.82,1336 378,1337 6.697}
{0 CHEMBL55697,1 1.491,2 9.75,3 4.997,4 24.969,5 121.888,6 6.966,7 0.414,8 4.115,9 4.273,10 3.604,11 3.597,12 5.205,13 3.547,14 4.644,15 4.87,16 4.031,17 3.982,18 5.647,19 3.918,20 4.917,21 5.134,22 4.165,23 4.189,24 5.961,25 4.112,26 5.151,27 5.44,28 4.17,29 4.264,30 6.112,31 4.152,32 5.076,33 5.31,34 4.002,35 4.267,36 6.101,37 4.131,38 5.247,39 5.591,40 4.015,41 4.241,42 6.009,43 4.049,44 4.853,45 5.081,46 4.221,47 4.147,48 5.934,49 4.005,50 4.903,51 5.149,52 3.778,53 4.075,54 5.87,55 3.863,56 0.11,57 0.864,58 13.478,59 4.92,60 16.881,61 7.414,62 0.234,63 1.299,64 24.48,65 8.24,66 32.392,67 12.514,68 0.356,69 1.646,70 33.949,71 8.635,72 40.571,73 14.625,74 0.516,75 1.806,76 44.315,77 11.447,78 71.047,79 19.046,80 0.43,81 1.812,82 37.963,83 10.407,84 62.685,85 17.477,86 0.509,87 1.651,88 49.466,89 14.618,90 69.344,91 22.747,92 0.377,93 1.294,94 37.02,95 11.008,96 54.29,97 16.034,98 0.583,99 1.15,100 52.148,101 12.391,102 65.115,103 17.029,104 113,105 44,106 0.247,107 0.544,108 0.614,109 0.674,110 0.674,111 0.674,112 3.375,113 0.999,114 -5.7,115 -5.57,116 -5.19,119 34.5,120 7,121 1,129 2,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 10,172 3,173 3,175 1,178 12,180 1,182 13,187 1,189 6,191 1,193 17,195 1,196 1,197 1,198 5,200 2,201 13,204 5,205 1,207 8,212 4,215 4,218 4,220 2,221 3,223 1,224 1,226 2,229 7,231 2,233 2,234 4,236 1,237 1,239 2,241 19,243 2,245 2,246 2,248 2,249 2,254 13,260 1,262 1,263 1,265 1,270 1,273 1182,274 17.245,275 17.245,276 17.245,277 17.245,278 17.245,279 15.572,280 28.407,281 9.617,282 17.659,283 14.209,284 14.209,285 14.209,286 14.209,287 14.209,288 11.63,289 52.31,290 4.433,291 14.96,292 4.367,293 2.572,294 2.147,295 1.781,296 1.781,297 1.781,298 4.025,299 1,301 1,302 1,303 545,304 4.637,307 200.506,314 1.571,315 24.081,318 0.75,319 1,320 1,321 1,322 1,323 1,324 1,325 0.96,326 59.833,327 273,328 4.568,329 3.724,330 7.605,331 4.512,332 3.552,333 4.257,334 0.4,335 13.4,336 3.406,337 4.53,338 3.277,339 6.77,340 4.146,341 3.171,342 3.821,344 11.075,345 3.094,346 4.173,347 3.107,348 6.303,349 3.774,350 2.791,351 3.57,353 9.175,354 2.741,355 3.791,356 2.866,357 6.045,358 3.714,359 2.784,360 3.003,362 8.665,363 2.569,364 3.623,365 2.385,366 5.304,367 3.186,368 2.26,369 2.791,371 6.619,372 2.083,373 3.301,374 2.226,375 5.038,376 2.933,377 1.985,378 2.549,380 5.702,381 1.877,382 3.144,383 1.998,384 4.756,385 2.696,386 1.741,387 2.36,389 4.936,390 1.658,391 3.036,392 1.844,393 4.365,394 2.541,395 1.618,396 2.18,398 4.185,399 1.439,400 2.591,401 1.213,402 4.156,403 2.169,404 1.178,405 1.535,407 3.303,408 1.162,409 1.758,410 0.821,411 3.328,412 1.548,413 0.583,414 0.66,415 1.176,416 0.55,417 1.556,418 0.535,419 3.202,420 1.261,421 0.329,422 0.392,423 0.766,424 0.289,425 1.348,426 0.212,427 2.75,428 1.007,429 0.069,430 0.084,431 0.152,432 0.063,433 1.036,434 -0.018,435 2.697,436 0.55,437 -0.325,438 -0.416,439 -0.811,440 -0.249,441 0.824,442 -0.305,443 2.514,444 0.436,445 -0.479,446 -0.588,448 -1.15,449 -0.437,450 0.65,451 -0.654,452 2.43,453 0.191,454 -0.781,455 -0.967,457 -1.972,458 -0.748,459 13.514,460 0.483,461 1.245,462 0.044,463 32,464 1.143,465 15,466 0.536,467 17,468 0.607,469 33.155,470 1.184,471 32.086,472 0.553,473 24.218,474 0.865,475 5.631,476 0.201,477 7.209,478 0.257,479 0.371,480 0.074,481 0.289,485 0.802,486 1.359,487 0.779,488 1.121,489 1.16,490 1.076,491 0.51,492 1.137,493 0.546,494 0.871,495 0.341,496 0.785,497 1.425,498 1.382,499 1.073,500 1.114,501 0.981,502 1.122,503 0.992,504 0.961,505 0.772,506 0.783,507 0.766,508 0.771,509 1.364,510 1.363,511 1.161,512 1.318,513 1.515,514 1.412,515 0.56,516 0.623,517 0.529,518 0.571,519 0.638,520 0.584,521 0.799,522 1.126,523 1.125,524 1.172,525 0.773,526 1.123,527 1.919,528 0.851,529 2.745,530 1.604,531 1.759,532 1.384,533 9.5,534 0.223,535 4.222,536 3.688,537 1.658,538 1.292,539 1.098,540 0.547,541 0.492,542 0.456,543 7953,544 19618,545 1.842,546 51.7,547 3,548 3,551 4,552 2,553 18,555 1.714,556 1.631,557 3.183,558 1.698,564 86.466,565 1.491,566 3.286,567 3.711,568 4.077,569 4.077,570 4.077,571 2.664,572 4.111,573 4.784,574 3.456,575 1306.36,576 8.337,577 17182.1,579 1,582 339.763,583 1.835,584 4.65,585 0.328,586 0.008,587 0.096,588 0.08,589 0.035,590 0.036,591 0.029,592 0.014,593 0.019,594 0.019,595 0.663,597 0.88,598 1.563,599 139.316,600 0.067,601 0.014,602 0.017,603 -0.003,604 -0.214,605 0.001,606 0.341,607 0.022,608 0.294,609 0.178,610 0.4,611 0.252,612 -0.216,613 -0.163,614 -0.124,615 -0.126,616 -0.107,617 -0.146,618 0.031,619 0.028,620 0.133,621 0.149,622 0.196,623 0.182,624 -0.314,625 -0.18,626 -0.36,627 -0.362,628 -0.426,629 -0.448,630 0.2,631 0.173,632 0.349,633 0.362,634 0.187,635 0.383,636 0.285,637 -0.069,638 0.192,639 -0.027,640 0.263,641 -0.053,642 -0.265,643 0.033,644 -0.592,645 -0.35,646 -0.334,647 -0.296,648 1.502,649 2.268,650 0.429,651 22.898,652 0.994,653 1.145,654 4.475,655 20.022,656 0.639,657 3.401,658 3.807,659 3.97,660 4.22,661 4.263,662 4.382,663 4.454,664 4.443,665 4.5,666 4.564,667 6.211,668 0.591,669 404.02,670 3.401,671 4.99,672 5.826,673 6.744,674 7.596,675 8.515,676 9.373,677 10.29,678 11.151,679 12.066,680 12.1,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 58,719 13,720 1,721 29,723 59,724 20,725 10,726 3,727 3,729 2,730 2,731 1,734 7,739 1,741 10,742 10,743 2,744 1,750 2,757 30,758 7,759 4,760 8,761 1,764 7,769 1,776 1,781 2,802 2,806 7,807 1,810 28,811 2,816 1,821 1,822 2,828 1,836 17.167,837 12.56,838 5.944,839 3.452,840 2.791,841 1.403,842 0.904,843 6.57,844 9.717,845 3.611,846 4.234,847 4.732,848 5.313,849 5.791,850 6.121,851 6.474,852 6.8,853 7.144,854 7.429,855 1,856 46,857 10.291,859 4.194,860 7.706,861 19.608,863 15.495,865 2.206,866 61.778,869 1,870 306.049,871 112.352,872 135.571,873 39.149,877 112.352,878 345.197,879 135.571,880 61.776,881 5.536,882 94.223,883 33.571,884 15.385,885 37.431,886 306.049,887 39.149,888 306.049,889 247.923,891 39.149,893 94.169,894 211.88,897 71.969,898 109.18,899 105.923,901 306.049,902 135.571,903 151.501,906 306.049,907 22.147,908 93.207,910 171.718,911 306.049,912 135.571,913 151.501,915 0.609,916 0.335,917 0.177,918 0.079,919 20,920 12,921 0.102,922 6,924 1,925 3.586,926 237.298,928 12,929 117.096,933 22.381,934 8.22,935 5.341,937 135.571,938 5.496,939 8.41,943 3.901,945 65.794,946 593.12,947 36,953 8.943,956 57.64,957 66.415,958 0.254,959 0.561,960 0.634,961 0.696,962 0.696,963 0.696,964 4.913,965 1.618,966 5.932,967 4.936,968 4.489,969 4.92,970 0.278,971 6.853,972 4.394,973 6.191,974 1.178,975 7.584,976 4.185,977 4.575,978 5.007,980 8.249,981 4.439,982 7.554,983 0.583,984 9.351,985 3.303,986 6.286,987 7.133,988 0.05,989 11.255,990 6.116,991 8.946,992 0.329,993 11.182,994 1.176,995 7.066,996 7.883,998 13.379,999 6.858,1000 10.362,1001 0.069,1002 13.055,1003 0.766,1004 8.417,1005 9.619,1006 0.008,1007 16.059,1008 8.178,1009 11.796,1010 -0.325,1011 14.957,1012 0.152,1013 9.464,1014 10.681,1016 18.455,1017 9.187,1018 13.244,1019 -0.479,1020 16.88,1021 -0.811,1022 10.715,1023 12.255,1024 0.001,1025 21.05,1026 10.405,1027 3.552,1028 -0.781,1029 18.82,1030 -1.15,1031 11.869,1032 13.483,1034 23.554,1035 11.521,1036 3.171,1037 13.4,1038 20.774,1039 -1.972,1040 13.098,1041 14.979,1043 26.131,1044 12.713,1045 2.791,1046 11.075,1047 22.738,1048 4.257,1049 14.298,1050 16.297,1052 28.68,1053 13.874,1054 2.784,1055 9.175,1056 24.711,1057 3.821,1058 15.528,1059 17.756,1061 31.258,1062 15.065,1063 2.26,1064 8.665,1065 26.693,1066 3.57,1067 16.751,1068 19.124,1070 33.827,1071 16.247,1072 1.985,1073 6.619,1074 28.68,1075 3.003,1076 17.987,1077 20.567,1079 36.409,1080 17.442,1081 1.741,1082 5.702,1083 30.674,1084 2.791,1085 19.223,1086 21.964,1088 38.989,1089 18.636,1090 8291,1091 13271,1092 17.107,1093 37.035,1094 45.045,1095 44.907,1096 46.983,1097 44.216,1098 44.122,1099 54.404,1100 0.8,1101 138.308,1102 41.863,1103 5.36,1104 5.724,1105 7.126,1106 5.582,1107 5.552,1108 7.257,1109 0.8,1110 21.575,1111 5.406,1112 21.451,1113 1.553,1114 1.549,1115 1.62,1116 1.525,1117 1.521,1118 1.876,1119 0.028,1120 4.769,1121 1.444,1122 4.019,1123 4.056,1124 4.057,1125 3.937,1126 5.287,1127 3.941,1128 3.849,1129 3.915,1130 3.825,1131 3.687,1132 5.041,1133 3.691,1134 3.751,1135 3.795,1136 3.738,1137 3.625,1138 4.975,1139 3.636,1140 3.556,1141 3.631,1142 3.367,1143 3.424,1144 4.731,1145 3.4,1146 3.392,1147 3.485,1148 3.293,1149 3.193,1150 4.465,1151 3.185,1152 3.14,1153 3.239,1154 3.204,1155 2.905,1156 4.33,1157 2.93,1158 3.06,1159 3.17,1160 3.051,1161 2.815,1162 4.203,1163 2.83,1164 2.875,1165 3.009,1166 2.897,1167 2.621,1168 4.168,1169 2.639,1170 0.158,1171 0.128,1172 0.262,1173 0.156,1174 0.122,1175 4.568,1176 0.147,1177 3.724,1178 0.014,1179 7.605,1180 0.462,1181 4.512,1182 0.117,1183 3.552,1184 4.257,1185 0.4,1186 13.4,1187 3.406,1188 1.958,1189 1.935,1190 2.031,1191 2.067,1192 1.248,1193 2.056,1194 1.807,1195 1.745,1196 2.012,1197 1.999,1198 1.188,1199 2.004,1200 1.701,1201 1.659,1202 1.883,1203 1.851,1204 1.059,1205 1.852,1206 1.59,1207 1.519,1208 1.849,1209 1.769,1210 1.004,1211 1.812,1212 1.382,1213 1.296,1214 1.615,1215 1.633,1216 0.596,1217 1.653,1218 1.023,1219 0.949,1220 1.417,1221 1.378,1222 0.469,1223 1.358,1224 0.961,1225 0.885,1226 1.417,1227 1.288,1228 0.469,1229 1.308,1230 0.934,1231 0.804,1232 1.417,1233 1.239,1234 0.469,1235 1.308,1236 4.078,1238 5.46,1240 7.017,1242 8.659,1244 10.346,1246 14.547,1247 6.38,1250 11.864,1252 0.674,1257 1.959,1258 -0.396,1262 34.299,1263 86.466,1264 190.56,1265 215.26,1266 236.44,1267 236.44,1268 236.44,1269 71.549,1270 6.926,1271 105.78,1272 105.78,1273 12,1274 12.588,1275 3.807,1276 3,1277 61.712,1278 105,1279 92,1280 0.292,1281 223.232,1282 381.77,1283 536.445,1284 8138,1285 1.7,1286 21.276,1287 0.76,1288 0.659,1289 21.776,1290 18.464,1291 12.841,1292 0.443,1293 0.333,1294 9.212,1295 12.12,1296 8.59,1297 7.357,1298 13.129,1299 9.658,1300 13.472,1301 0.306,1302 0.206,1303 13.843,1304 9.059,1305 9.069,1306 0.174,1307 0.085,1308 9.449,1309 4.431,1310 8.064,1311 0.12,1312 0.051,1313 8.299,1314 3.384,1315 5.088,1316 0.073,1317 0.022,1318 5.33,1319 1.548,1320 0.452,1321 83.014,1322 0.242,1323 26.3,1324 0.822,1325 146,1326 373.053,1327 174.813,1328 405.743,1329 552.39,1330 374,1331 169,1332 408.702,1333 194.219,1334 428.305,1335 615.88,1336 397,1337 4.959}
{0 CHEMBL55727,1 1.443,2 10.8,3 3.316,4 10.993,5 101.051,6 7.684,7 0.786,8 3.878,9 4.013,10 3.478,11 3.439,12 5.045,13 3.428,14 4.351,15 4.526,16 3.846,17 3.821,18 5.49,19 3.793,20 4.57,21 4.765,22 3.902,23 3.965,24 5.663,25 3.909,26 4.645,27 4.87,28 3.762,29 3.937,30 5.666,31 3.835,32 4.644,33 4.902,34 3.597,35 3.836,36 5.602,37 3.716,38 4.531,39 4.802,40 3.441,41 3.716,42 5.435,43 3.586,44 4.38,45 4.634,46 3.403,47 3.635,48 5.279,49 3.516,50 4.301,51 4.554,52 3.337,53 3.527,54 5.323,55 3.427,56 0.042,57 0.7,58 8.265,59 3.288,60 9.896,61 4.414,62 0.176,63 1.091,64 14.559,65 5.627,66 19.127,67 7.713,68 0.238,69 1.315,70 18.831,71 6.917,72 24.568,73 9.57,74 0.159,75 1.32,76 21.524,77 8.27,78 28.345,79 11.749,80 0.223,81 1.264,82 23.072,83 7.893,84 36.354,85 11.49,86 0.284,87 1.111,88 21.169,89 7.188,90 31.363,91 10.45,92 0.104,93 0.957,94 17.557,95 6.694,96 17.236,97 9.684,98 0.182,99 0.91,100 16.212,101 5.382,102 28.182,103 7.811,104 10,105 40,106 0.247,107 0.582,108 0.723,109 0.845,110 0.863,111 0.879,112 3.267,113 0.856,114 -4.41,115 -4.34,116 -4.09,119 44.2,124 1,125 1,139 9,140 2,141 1,143 3,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 4,172 3,173 3,178 12,181 3,182 5,184 1,185 1,189 10,193 4,195 1,196 1,197 1,198 2,200 2,201 4,204 2,205 1,207 5,209 1,210 1,212 2,215 3,218 2,220 2,221 3,223 1,224 1,229 4,234 2,241 4,246 6,248 1,249 1,251 2,254 4,256 2,260 5,265 2,268 3,270 2,273 833,274 16.894,275 16.894,276 16.894,277 16.894,278 16.894,279 14.316,280 16.551,281 9.842,282 17.228,283 13.837,284 13.837,285 13.837,286 13.837,287 13.837,288 9.973,289 23.229,290 4.706,291 14.402,292 3.983,293 2.033,294 1.21,295 0.5,296 0.39,297 0.297,298 3.967,300 1,301 1,302 1,303 598,304 2.828,307 250.52,311 212.709,314 1.584,315 16.419,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 53,327 270,328 4.542,329 3.192,330 6.503,331 4.039,332 3.085,333 4.491,334 0.916,335 10.181,336 2.951,337 4.423,338 3.075,339 6.254,340 3.957,341 2.975,342 4.342,343 0.172,344 9.434,345 2.921,346 3.91,347 2.798,348 5.926,349 3.594,350 2.639,351 3.303,353 8.291,354 2.512,355 3.697,356 2.464,357 5.291,358 3.26,359 2.313,360 3.139,362 6.775,363 2.195,364 3.428,365 2.167,366 5.062,367 2.964,368 2.032,369 2.811,371 5.803,372 1.885,373 3.363,374 2.033,375 4.972,376 2.898,377 1.949,378 2.69,380 5.756,381 1.844,382 3.118,383 1.618,384 4.439,385 2.618,386 1.618,387 2.427,389 4.408,390 1.618,391 2.935,392 1.551,393 4.07,394 2.47,395 1.484,396 2.133,398 3.486,399 1.462,400 2.528,401 1.293,402 3.709,403 2.171,404 1.203,405 1.535,407 2.879,408 1.161,409 2.444,410 1.058,411 3.602,412 1.951,413 1.005,414 1.422,415 2.565,416 0.948,417 2.125,418 0.67,419 3.164,420 1.647,421 0.652,422 0.955,423 1.53,424 0.648,425 1.497,426 0.387,427 2.902,428 1.109,429 0.169,430 0.214,431 0.426,432 0.159,433 1.023,434 -0.185,435 2.667,436 0.589,437 -0.362,438 -0.459,439 -0.967,440 -0.34,441 0.968,442 -0.306,443 2.514,444 0.487,445 -0.455,446 -0.593,448 -1.145,449 -0.426,450 0.882,451 -0.402,452 2.334,453 0.395,454 -0.544,455 -0.686,457 -1.326,458 -0.516,459 11.9,460 0.476,461 0.661,462 0.026,463 38.25,464 1.53,465 21.5,466 0.86,467 16.75,468 0.67,469 15.874,470 0.635,471 25.3,472 0.588,473 26.784,474 1.071,475 7.607,476 0.304,477 4.491,478 0.18,479 0.109,481 0.37,485 1.106,486 1.22,487 0.789,488 0.914,489 1.278,490 0.828,491 0.785,492 0.958,493 0.76,494 0.866,495 0.473,496 0.82,497 1.016,498 0.981,499 1.028,500 1.005,501 0.843,502 1.015,503 0.769,504 1.183,505 1.046,506 1.237,507 0.682,508 1.19,509 1.054,510 1.025,511 1.101,512 1.075,513 1.07,514 1.09,515 0.981,516 0.737,517 1.077,518 0.916,519 1.02,520 0.993,521 0.679,522 1.038,523 0.896,524 1.066,525 0.581,526 1.02,527 1.16,528 0.926,529 1.072,530 0.951,531 1.234,532 0.991,533 5.5,534 0.136,535 2.889,536 1.625,537 1.893,538 0.583,539 0.466,540 0.366,541 0.176,542 0.164,543 7708,544 19526,545 2.13,546 41.9,548 14,551 4,555 1.676,556 2,557 3.402,558 1.736,559 1,560 1,564 62.05,565 1.443,566 3.393,567 4.216,568 4.926,569 5.037,570 5.13,571 2.869,572 4.324,573 4.619,574 3.526,575 1057.87,576 7.966,577 12777.1,579 1,581 1,582 233.329,583 1.388,584 4.579,585 0.196,586 0.009,587 0.072,588 0.04,589 0.056,590 0.021,591 0.019,592 0.015,593 0.008,594 0.008,595 0.444,596 0.17,597 1,598 0.553,599 120.937,600 -0.15,601 -0.069,602 0.031,603 0.044,604 -0.299,605 0.059,606 0.212,607 0.14,608 0.12,609 0.095,610 0.264,611 0.095,612 0.024,613 0.095,614 -0.123,615 -0.054,616 -0.014,617 -0.098,618 0.073,619 -0.216,620 -0.103,621 -0.239,622 0.126,623 -0.203,624 -0.081,625 -0.08,626 -0.1,627 -0.096,628 -0.09,629 -0.099,630 0.006,631 0.198,632 -0.058,633 0.066,634 -0.13,635 0.008,636 0.057,637 -0.14,638 0.088,639 -0.033,640 0.108,641 0.02,642 -0.116,643 0.047,644 -0.074,645 0.013,646 -0.121,647 -0.018,648 1.507,649 1.923,650 0.8,651 20.304,652 0.998,653 1.127,654 3.175,655 10.081,656 0.688,657 3.367,658 3.714,659 3.989,660 4.263,661 4.522,662 4.543,663 4.644,664 4.718,665 4.844,666 4.754,667 6.227,668 0.658,669 330.43,670 3.367,671 4.92,672 5.778,673 6.663,674 7.534,675 8.42,676 9.296,677 10.182,678 11.06,679 11.945,680 14,684 2,686 1,690 3,694 4,695 9,696 3,700 4,702 22,711 2,714 1,718 43,719 22,720 2,721 28,723 46,724 19,725 17,726 3,727 7,729 4,730 6,741 17,742 2,753 1,754 1,757 18,758 6,759 4,760 6,764 6,769 0.5,775 1,776 1,781 4,785 2,802 2,806 1,810 25,811 2,816 1,821 1,836 12.5,837 7.967,838 5.361,839 2.351,840 4.465,841 1.592,842 1.049,843 3.864,844 12.011,845 3.689,846 4.382,847 5.035,848 5.678,849 6.307,850 6.59,851 6.967,852 7.334,853 7.742,854 7.687,855 1,856 41,857 9.159,859 3.891,860 7.653,861 17.523,863 14.397,865 2.153,866 53.833,869 1,870 164.795,871 114.963,872 119.275,877 114.963,878 164.795,879 119.275,880 8.396,881 2.106,882 151.081,883 50.357,884 18.072,885 4.227,886 164.795,888 164.795,889 234.238,893 164.795,897 11.05,898 172.832,899 50.357,901 164.795,902 119.275,903 114.963,906 164.795,907 21.28,908 96.807,910 116.151,911 164.795,912 119.275,913 114.963,915 0.59,916 0.345,917 0.19,918 0.106,919 21,920 9,921 0.065,922 3,923 2,924 1.2,925 3.751,926 211.062,927 0.2,928 20,929 116.096,933 15.609,934 6.188,935 3.064,936 3.679,937 119.275,938 18.545,939 12.739,943 2.482,945 65.794,946 399.034,947 39,956 42.912,957 48.481,958 0.266,959 0.625,960 0.777,961 0.908,962 0.928,963 0.945,964 4.916,965 1.484,966 5.771,967 4.408,968 4.394,969 5.069,970 0.918,971 6.583,972 4.317,973 6.155,974 1.203,975 7.331,976 3.486,977 4.007,978 4.956,979 0.325,980 7.445,981 3.876,982 7.479,983 1.005,984 8.986,985 2.879,986 5.994,987 7.391,988 0.671,989 10.538,990 5.843,991 8.838,992 0.652,993 10.695,994 2.565,995 6.382,996 8.084,997 0.393,998 12.193,999 6.18,1000 10.226,1001 0.169,1002 12.438,1003 1.53,1004 7.859,1005 9.999,1006 0.533,1007 14.795,1008 7.64,1009 11.635,1010 -0.362,1011 14.205,1012 0.426,1013 8.618,1014 11.096,1015 0.384,1016 16.796,1017 8.353,1018 13.061,1019 -0.455,1020 15.989,1021 -0.967,1022 9.879,1023 12.778,1024 0.438,1025 19.213,1026 9.594,1027 3.085,1028 -0.544,1029 17.786,1030 -1.145,1031 10.82,1032 14.079,1033 0.351,1034 21.372,1035 10.494,1036 2.975,1037 10.181,1038 19.593,1039 -1.326,1040 11.988,1041 15.655,1042 0.366,1043 23.714,1044 11.637,1045 2.639,1046 9.434,1047 21.408,1048 4.491,1049 13.016,1050 17.055,1051 0.312,1052 25.947,1053 12.627,1054 2.313,1055 8.291,1056 23.23,1057 4.342,1058 14.146,1059 18.583,1060 0.309,1061 28.261,1062 13.728,1063 2.032,1064 6.775,1065 25.057,1066 3.303,1067 15.215,1068 20.031,1069 0.273,1070 30.528,1071 14.762,1072 1.949,1073 5.803,1074 26.889,1075 3.139,1076 16.33,1077 21.537,1078 0.262,1079 32.832,1080 15.846,1081 1.618,1082 5.756,1083 28.724,1084 2.811,1085 17.42,1086 23.007,1087 0.236,1088 35.117,1089 16.9,1090 7199,1091 11600,1092 18.898,1093 29.603,1094 42.592,1095 42.313,1096 43.217,1097 42.298,1098 42.25,1099 58.921,1100 2.178,1101 123.069,1102 40.607,1103 5.369,1104 5.192,1105 6.19,1106 5.111,1107 5.085,1108 7.491,1109 1.605,1110 17.075,1111 4.951,1112 10.898,1113 1.521,1114 1.511,1115 1.543,1116 1.511,1117 1.509,1118 2.104,1119 0.078,1120 4.395,1121 1.45,1122 4.101,1123 4.133,1124 4.06,1125 4.046,1126 5.323,1127 4.044,1128 4.027,1129 4.062,1130 3.998,1131 3.908,1132 4.988,1133 3.928,1134 3.628,1135 3.695,1136 3.547,1137 3.472,1138 4.906,1139 3.481,1140 3.441,1141 3.501,1142 3.365,1143 3.299,1144 4.772,1145 3.309,1146 3.243,1147 3.321,1148 3.095,1149 3.06,1150 4.386,1151 3.06,1152 3.115,1153 3.229,1154 3.005,1155 2.931,1156 4.208,1157 2.919,1158 3.025,1159 3.08,1160 2.901,1161 2.82,1162 3.984,1163 2.853,1164 2.915,1165 3.018,1166 2.718,1167 2.7,1168 3.903,1169 2.691,1170 0.162,1171 0.114,1172 0.232,1173 0.144,1174 0.11,1175 4.542,1176 0.16,1177 3.192,1178 0.033,1179 6.503,1180 0.364,1181 4.039,1182 0.105,1183 3.085,1184 4.491,1185 0.916,1186 10.181,1187 2.951,1188 2.073,1189 2.053,1190 2.158,1191 2.145,1192 1.294,1193 2.147,1194 1.965,1195 1.93,1196 2.024,1197 2.105,1198 1.123,1199 2.086,1200 1.586,1201 1.53,1202 1.764,1203 1.788,1204 0.877,1205 1.785,1206 1.406,1207 1.354,1208 1.573,1209 1.59,1210 0.643,1211 1.587,1212 1.23,1213 1.15,1214 1.508,1215 1.448,1216 0.538,1217 1.479,1218 1.049,1219 0.998,1220 1.295,1221 1.383,1222 0.355,1223 1.364,1224 1.008,1225 0.91,1226 1.276,1227 1.193,1228 0.308,1229 1.234,1230 0.92,1231 0.819,1232 1.264,1233 1.181,1234 0.029,1235 1.215,1236 4.043,1238 5.38,1240 6.919,1242 8.55,1244 10.229,1246 2.04,1250 11.55,1252 0.651,1257 2.148,1262 28.289,1263 62.05,1264 145.906,1265 181.29,1266 211.82,1267 216.574,1268 220.574,1269 29.248,1270 7.546,1271 93.95,1272 93.95,1273 24,1274 12.479,1275 4.524,1276 3.585,1277 36.096,1278 95,1279 83,1280 0.187,1281 174.943,1282 283.82,1283 418.621,1284 20368,1286 17.389,1287 0.696,1288 0.554,1289 17.389,1290 13.847,1291 12.097,1292 0.432,1293 0.285,1294 7.888,1295 11.73,1296 7.67,1297 6.392,1298 12.097,1299 7.986,1300 11.248,1301 0.281,1302 0.151,1303 11.248,1304 6.025,1305 9.457,1306 0.178,1307 0.08,1308 9.457,1309 4.217,1310 8.13,1311 0.116,1312 0.042,1313 8.13,1314 2.932,1315 6.724,1316 0.074,1317 0.022,1318 6.724,1319 2.016,1320 0.296,1321 75.046,1322 0.23,1323 24.332,1324 0.508,1325 136,1326 349.205,1327 146.519,1328 354.056,1329 500.96,1330 332,1331 161,1332 388.606,1333 171.769,1334 400.004,1335 583.48,1336 376,1337 8.143}
{0 CHEMBL55764,1 1.681,2 12,3 4.558,4 20.771,5 134.337,6 7.932,7 0.514,8 4.166,9 4.298,10 3.771,11 3.672,12 5.35,13 3.658,14 4.656,15 4.837,16 4.112,17 4.018,18 5.829,19 3.98,20 4.875,21 5.079,22 4.198,23 4.14,24 5.979,25 4.09,26 4.897,27 5.107,28 4.183,29 4.144,30 6.023,31 4.084,32 4.995,33 5.226,34 4.172,35 4.173,36 6.09,37 4.108,38 5.042,39 5.293,40 4.219,41 4.218,42 6.098,43 4.126,44 5.025,45 5.265,46 4.262,47 4.194,48 6.137,49 4.093,50 4.888,51 5.106,52 4.179,53 4.127,54 6.001,55 4.033,56 0.124,57 0.897,58 11.298,59 4.885,60 15.789,61 6.438,62 0.404,63 1.32,64 21.716,65 8.155,66 40.025,67 11.035,68 0.555,69 1.543,70 30.559,71 8.927,72 56.712,73 12.528,74 0.471,75 1.622,76 30.778,77 9.231,78 57.196,79 13.379,80 0.637,81 1.74,82 33.256,83 9.194,84 67.997,85 13.828,86 0.557,87 1.725,88 37.042,89 11.255,90 68.671,91 16.482,92 0.736,93 1.539,94 43.339,95 11.903,96 86.719,97 16.644,98 0.632,99 1.359,100 39.02,101 11.115,102 61.216,103 14.668,104 44,105 47,106 0.272,107 0.637,108 0.799,109 0.865,110 0.872,111 0.872,112 3.532,113 0.926,114 -5.37,115 -5.26,116 -4.91,119 39,120 2,121 1,125 3,139 8,140 3,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 11,169 3,170 7,172 3,173 3,175 1,178 12,180 1,181 1,182 10,187 1,189 9,191 1,192 1,193 16,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 2,207 15,212 4,215 4,218 4,220 3,221 9,223 1,224 1,226 2,229 2,231 2,233 3,234 10,236 1,237 1,239 2,241 7,243 2,245 2,246 8,248 2,249 2,254 13,260 6,262 1,263 1,265 1,268 14,270 1,273 2052,274 22.007,275 22.007,276 22.007,277 22.007,278 22.007,279 19.376,280 26.14,281 13.207,282 22.519,283 17.226,284 17.226,285 17.226,286 17.226,287 17.226,288 13.272,289 31.51,290 6.228,291 18.092,292 4.202,293 1.954,294 0.954,295 0.547,296 0.5,297 0.5,298 4.212,299 1,302 1,303 822,304 4.123,307 369.4,314 1.758,315 33.947,318 1,319 0.5,320 0.83,321 0.8,322 0.5,323 1,324 1,325 0.8,326 71.833,327 396,328 4.535,329 3.627,330 6.77,331 4.146,332 3.171,333 4.257,334 2.443,335 11.076,336 3.094,337 4.185,338 3.278,339 6.048,340 3.737,341 2.801,342 3.815,343 0.657,344 8.678,345 2.623,346 3.939,347 3.113,348 5.575,349 3.618,350 2.651,351 3.458,352 0.286,353 7.678,354 2.546,355 3.634,356 2.937,357 5.304,358 3.253,359 2.291,360 3.012,362 6.621,363 2.191,364 3.562,365 2.398,366 5.041,367 3.186,368 2.253,369 2.722,371 6.11,372 2.098,373 3.451,374 2.385,375 5.038,376 3.118,377 2.152,378 2.604,380 5.702,381 2.04,382 3.3,383 2.226,384 4.756,385 2.932,386 1.985,387 2.548,389 5.149,390 1.876,391 3.108,392 1.976,393 4.647,394 2.681,395 1.732,396 2.323,398 4.931,399 1.636,400 2.953,401 1.846,402 4.233,403 2.477,404 1.543,405 2.104,407 3.959,408 1.437,409 2.83,410 1.755,411 3.599,412 2.416,413 1.429,414 1.945,415 3.055,416 1.359,417 2.5,418 1.488,419 3.34,420 2.035,421 1.074,422 1.5,423 2.306,424 1.021,425 2.39,426 1,427 3.327,428 2,429 1,430 1.256,431 2.136,432 1,433 2.008,434 0.845,435 3.247,436 1.573,437 0.623,438 0.822,439 1.424,440 0.574,441 1.747,442 0.716,443 3.084,444 1.529,445 0.553,446 0.641,448 1.101,449 0.538,450 1.39,451 0.565,452 2.751,453 1.048,454 0.138,455 0.165,457 0.272,458 0.116,459 15.681,460 0.475,461 0.805,462 0.024,463 43.25,464 1.311,465 22.5,466 0.682,467 20.75,468 0.629,469 28.993,470 0.879,471 35.919,472 0.609,473 35.805,474 1.085,475 8.729,476 0.265,477 7.139,478 0.216,479 0.182,481 0.312,485 0.771,486 1.219,487 0.681,488 1.013,489 0.81,490 0.933,491 0.71,492 1.046,493 0.691,494 0.933,495 0.497,496 0.898,497 1.254,498 1.13,499 0.975,500 0.891,501 1.088,502 0.914,503 0.908,504 1.334,505 0.999,506 1.149,507 0.837,508 1.103,509 1.072,510 1.179,511 0.904,512 0.946,513 1.029,514 1.009,515 0.817,516 1.007,517 0.84,518 0.912,519 0.718,520 0.937,521 1.015,522 0.873,523 1.186,524 1.006,525 0.892,526 0.956,527 1.163,528 0.762,529 1.407,530 1.033,531 0.921,532 0.964,533 7,534 0.281,535 3.111,536 2.5,537 1.729,538 1.076,539 0.811,540 0.557,541 0.493,542 0.307,543 14585,544 44332,545 1.994,546 44.1,547 3,548 14,551 4,552 5,555 1.757,556 1.85,557 3.542,558 1.603,564 99.171,565 1.681,566 3.928,567 4.929,568 5.336,569 5.382,570 5.382,571 2.923,572 4.863,573 5.017,574 3.753,575 1981.52,576 8.812,577 30561.4,582 347.076,583 1.462,584 4.964,585 0.2,586 0.008,587 0.066,588 0.051,589 0.036,590 0.023,591 0.017,592 0.012,593 0.011,594 0.007,595 0.432,597 0.88,598 1.304,599 175.846,600 -0.005,601 0.032,602 0.018,603 0.001,604 -0.115,605 0.016,606 0.194,607 0.068,608 0.114,609 0.062,610 0.201,611 0.067,612 -0.17,613 -0.059,614 -0.037,615 0.069,616 -0.16,617 0.024,618 -0.021,619 -0.239,620 -0.086,621 -0.192,622 -0.009,623 -0.158,624 -0.117,625 -0.095,626 -0.086,627 -0.051,628 -0.148,629 -0.093,630 0.021,632 0.086,633 0.04,634 0.025,635 0.038,636 0.071,637 0.059,638 0.069,639 0.025,640 0.064,641 0.05,642 -0.008,643 0.182,644 -0.034,645 0.045,646 -0.002,647 0.053,648 2.016,649 4.14,650 0.545,651 35.46,652 1.009,653 1.136,654 4.144,655 17.176,656 0.668,657 3.584,658 3.871,659 4.078,660 4.317,661 4.511,662 4.554,663 4.615,664 4.682,665 4.736,666 4.745,667 7.49,668 0.639,669 468.01,670 3.584,671 5.106,672 5.927,673 6.788,674 7.63,675 8.499,676 9.351,677 10.225,678 11.084,679 11.962,680 11.9,684 2,687 1,690 2,692 2,695 8,696 2,700 8,702 18,711 2,717 1,718 59,719 20,720 2,721 35,723 61,724 23,725 16,726 4,727 8,729 3,730 3,731 1,734 2,739 1,741 17,742 6,744 2,748 1,750 2,751 1,757 26,758 9,759 4,760 10,761 1,764 7,769 1,770 2,776 1,781 3,793 1,802 3,806 2,807 1,810 33,811 2,816 4,818 1,821 1,828 1,829 3.4,832 1,834 1,836 17.833,837 11.06,838 7.444,839 3.455,840 3.673,841 1.495,842 0.959,843 8.723,844 11.09,845 3.85,846 4.413,847 4.929,848 5.483,849 6.011,850 6.222,851 6.562,852 6.915,853 7.261,854 7.536,855 0.875,856 49,857 12.112,859 4.957,860 7.852,861 22.731,863 17.675,865 2.352,866 77.611,870 258.964,871 134.788,872 135.571,873 39.149,874 36.145,877 134.788,878 334.258,879 135.571,880 17.65,881 14.34,882 141.604,883 65.907,884 29.571,885 37.431,886 258.964,887 39.149,888 258.964,889 270.359,890 36.145,891 39.149,893 258.964,894 36.145,897 36.646,898 166.938,899 105.923,901 258.964,902 171.716,903 173.937,906 258.964,907 41.327,908 96.462,910 207.862,911 258.964,912 171.716,913 173.937,915 0.571,916 0.32,917 0.173,918 0.095,919 19,920 10,921 0.164,922 10,924 1,925 4.31,926 289.581,928 18,929 160.465,933 24.588,934 11.707,935 6.963,937 171.716,938 15.133,939 8.387,943 4.528,945 65.794,946 604.616,947 46,951 11.14,953 8.722,954 -0.35,956 59.527,957 67.003,958 0.286,959 0.668,960 0.838,961 0.907,962 0.915,963 0.915,964 5.066,965 1.732,966 5.9,967 5.149,968 4.554,969 5.1,970 2.477,971 6.668,972 4.461,973 6.263,974 1.543,975 7.433,976 4.931,977 4.111,978 4.844,979 2.243,980 7.509,981 3.952,982 7.553,983 1.429,984 9.066,985 3.959,986 6.103,987 7.242,988 3.849,989 10.595,990 5.93,991 8.877,992 1.074,993 10.758,994 3.055,995 6.447,996 7.772,997 4.269,998 12.303,999 6.219,1000 10.231,1001 1,1002 12.491,1003 2.306,1004 7.923,1005 9.668,1006 5.487,1007 14.926,1008 7.683,1009 11.607,1010 0.623,1011 14.255,1012 2.136,1013 8.655,1014 10.6,1015 6.158,1016 17.026,1017 8.373,1018 13.001,1019 0.553,1020 16.042,1021 1.424,1022 9.917,1023 12.265,1024 7.208,1025 19.493,1026 9.62,1027 3.171,1028 0.138,1029 17.848,1030 1.101,1031 10.849,1032 13.421,1033 7.992,1034 21.766,1035 10.52,1036 2.801,1037 11.076,1038 19.67,1039 0.272,1040 12.022,1041 14.968,1042 8.963,1043 24.182,1044 11.677,1045 2.651,1046 8.678,1047 21.506,1048 4.257,1049 13.056,1050 16.249,1051 9.802,1052 26.529,1053 12.686,1054 2.291,1055 7.678,1056 23.354,1057 3.815,1058 14.196,1059 17.737,1060 10.734,1061 28.931,1062 13.809,1063 2.253,1064 6.621,1065 25.211,1066 3.458,1067 15.281,1068 19.086,1069 11.599,1070 31.308,1071 14.872,1072 2.152,1073 6.11,1074 27.076,1075 3.012,1076 16.413,1077 20.546,1078 12.512,1079 33.708,1080 15.986,1081 1.985,1082 5.702,1083 28.948,1084 2.722,1085 17.524,1086 21.934,1087 13.391,1088 36.099,1089 17.077,1090 14430,1091 25333,1092 22.77,1093 39.421,1094 51.634,1095 52.237,1096 52.948,1097 50.957,1098 50.794,1099 66.342,1100 6.772,1101 140.393,1102 48.3,1103 5.442,1104 5.627,1105 6.572,1106 5.216,1107 5.171,1108 7.257,1109 4.174,1110 17.964,1111 5.094,1112 19.172,1113 1.475,1114 1.492,1115 1.513,1116 1.456,1117 1.451,1118 1.895,1119 0.193,1120 4.011,1121 1.38,1122 4.02,1123 4.055,1124 4.057,1125 3.939,1126 7.434,1127 3.943,1128 3.914,1129 3.951,1130 3.843,1131 3.848,1132 5.287,1133 3.841,1134 3.766,1135 3.814,1136 3.824,1137 3.629,1138 5.04,1139 3.643,1140 3.654,1141 3.695,1142 3.563,1143 3.412,1144 4.975,1145 3.437,1146 3.457,1147 3.511,1148 3.377,1149 3.211,1150 4.77,1151 3.232,1152 3.392,1153 3.485,1154 3.286,1155 3.192,1156 4.689,1157 3.184,1158 3.145,1159 3.235,1160 3.204,1161 2.953,1162 4.465,1163 2.942,1164 3.103,1165 3.202,1166 2.993,1167 2.899,1168 4.428,1169 2.914,1170 0.13,1171 0.104,1172 0.193,1173 0.118,1174 0.091,1175 4.535,1176 0.122,1177 3.627,1178 0.07,1179 6.77,1180 0.316,1181 4.146,1182 0.088,1183 3.171,1184 4.257,1185 2.443,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.043,1191 2.065,1192 1.192,1193 2.055,1194 1.911,1195 1.88,1196 2.022,1197 2.01,1198 1.181,1199 2.019,1200 1.707,1201 1.664,1202 1.852,1203 1.875,1204 1.014,1205 1.865,1206 1.564,1207 1.514,1208 1.794,1209 1.815,1210 1.002,1211 1.808,1212 1.386,1213 1.321,1214 1.663,1215 1.65,1216 0.696,1217 1.656,1218 1.376,1219 1.295,1220 1.614,1221 1.632,1222 0.628,1223 1.643,1224 1.129,1225 1.055,1226 1.43,1227 1.383,1228 0.596,1229 1.393,1230 1.015,1231 0.941,1232 1.267,1233 1.361,1234 0.218,1235 1.354,1236 4.263,1238 5.557,1240 7.038,1242 8.612,1244 10.24,1246 3.331,1247 6.388,1250 11.883,1252 1.677,1254 5.065,1257 1.708,1262 37.675,1263 99.171,1264 231.773,1265 290.811,1266 314.811,1267 317.566,1268 317.566,1269 70.349,1270 7.416,1271 132.08,1272 132.08,1273 18,1274 12.504,1275 4.392,1276 3.585,1277 63.959,1278 148,1279 136,1280 0.206,1281 240.898,1282 417.43,1283 579.551,1284 16711,1285 1.7,1286 23.794,1287 0.721,1288 0.584,1289 24.294,1290 19.288,1291 15.867,1292 0.453,1293 0.309,1294 10.305,1295 14.924,1296 9.985,1297 8.327,1298 16.156,1299 10.805,1300 14.118,1301 0.3,1302 0.162,1303 14.489,1304 7.619,1305 10.883,1306 0.188,1307 0.087,1308 11.263,1309 5.06,1310 9.057,1311 0.122,1312 0.046,1313 9.292,1314 3.373,1315 7.065,1316 0.079,1317 0.025,1318 7.308,1319 2.22,1320 0.325,1321 102.78,1322 0.21,1323 30.741,1324 0.561,1325 164,1326 520.524,1327 197.349,1328 535.546,1329 717.08,1330 498,1331 187,1332 508.385,1333 215.428,1334 520.978,1335 750.08,1336 489,1337 4.712}
{0 CHEMBL55903,1 1.555,2 11.69,3 4.793,4 22.968,5 122.202,6 7.999,7 0.563,8 4.038,9 4.175,10 3.666,11 3.596,12 5.181,13 3.572,14 4.537,15 4.719,16 4.039,17 3.991,18 5.625,19 3.942,20 4.788,21 4.998,22 4.158,23 4.132,24 5.836,25 4.068,26 4.814,27 5.028,28 4.076,29 4.09,30 5.897,31 4.01,32 4.838,33 5.085,34 3.974,35 4.026,36 5.881,37 3.941,38 4.807,39 5.073,40 3.959,41 3.986,42 5.813,43 3.871,44 4.702,45 4.956,46 3.999,47 3.914,48 5.761,49 3.791,50 4.488,51 4.708,52 3.803,53 3.805,54 5.536,55 3.683,56 0.094,57 0.819,58 9.663,59 4.125,60 12.238,61 5.553,62 0.204,63 1.261,64 18.255,65 7.315,66 21.944,67 10.05,68 0.264,69 1.516,70 26.877,71 8.641,72 30.396,73 12.237,74 0.292,75 1.54,76 27.968,77 8.884,78 40.708,79 12.645,80 0.36,81 1.537,82 28.438,83 8.187,84 46.595,85 12.114,86 0.359,87 1.391,88 30.149,89 9.214,90 48.223,91 13.326,92 0.468,93 1.152,94 33.723,95 8.999,96 53.938,97 12.651,98 0.335,99 0.97,100 27.26,101 7.633,102 34.156,103 10.154,104 18,105 45,106 0.259,107 0.634,108 0.787,109 0.871,110 0.884,111 0.891,112 3.408,113 0.926,114 -5.7,115 -5.56,116 -5.19,119 41.2,120 1,121 2,125 2,139 7,140 4,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 12,169 2,170 6,172 3,173 3,175 1,178 14,180 1,182 11,187 1,189 11,191 1,193 17,195 1,196 1,197 1,198 5,200 2,201 5,204 5,205 1,207 13,212 4,215 4,218 4,220 2,221 6,223 1,224 1,226 2,229 3,231 2,233 2,234 5,236 1,237 1,239 2,241 9,243 2,245 2,246 2,248 2,249 2,254 13,260 1,262 1,263 1,265 1,268 11,270 1,273 1361,274 19.679,275 19.679,276 19.679,277 19.679,278 19.679,279 17.255,280 24.127,281 11.482,282 20.072,283 15.731,284 15.731,285 15.731,286 15.731,287 15.731,288 12.033,289 29.035,290 5.365,291 16.44,292 4.118,293 1.87,294 0.949,295 0.446,296 0.368,297 0.329,298 4.105,299 1,301 1,302 1,303 737,304 2.828,307 344.317,311 133.48,314 1.722,315 23.515,318 0.75,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.86,326 61.833,327 339,328 4.535,329 3.279,330 6.77,331 4.146,332 3.171,333 4.257,334 0.657,335 11.076,336 3.094,337 4.236,338 3.186,339 6.184,340 3.913,341 2.926,342 3.825,344 9.228,345 2.89,346 4.177,347 3.105,348 6.047,349 3.719,350 2.786,351 3.805,353 8.671,354 2.578,355 3.635,356 2.491,357 5.308,358 3.253,359 2.3,360 3.012,362 6.702,363 2.191,364 3.466,365 2.385,366 5.249,367 3.161,368 2.234,369 2.61,371 6.576,372 2.051,373 3.3,374 2.226,375 5.038,376 2.932,377 1.985,378 2.548,380 5.702,381 1.876,382 3.107,383 1.969,384 4.756,385 2.68,386 1.732,387 2.322,389 4.932,390 1.635,391 2.955,392 1.909,393 4.416,394 2.614,395 1.618,396 2.117,398 4.372,399 1.612,400 2.924,401 1.804,402 4.233,403 2.475,404 1.54,405 2.06,407 3.955,408 1.425,409 2.819,410 1.466,411 3.62,412 2.388,413 1.4,414 1.933,415 3.014,416 1.343,417 2.3,418 0.861,419 3.329,420 1.782,421 0.792,422 1.07,423 1.835,424 0.781,425 1.875,426 0.802,427 3.283,428 1.572,429 0.607,430 0.754,431 1.396,432 0.572,433 1.748,434 0.67,435 3.127,436 1.534,437 0.553,438 0.643,439 1.109,440 0.54,441 1.392,442 0.426,443 2.751,444 1.053,445 0.145,446 0.172,448 0.284,449 0.121,450 1.103,451 0.038,452 2.602,453 0.762,454 -0.169,455 -0.201,457 -0.433,458 -0.145,459 14.014,460 0.483,461 0.712,462 0.025,463 39.5,464 1.362,465 21,466 0.724,467 18.5,468 0.638,469 24.117,470 0.832,471 30.386,472 0.596,473 29.175,474 1.006,475 7.616,476 0.263,477 6.43,478 0.222,479 0.144,481 0.35,485 0.789,486 1.099,487 0.658,488 0.88,489 1.013,490 0.851,491 0.615,492 0.997,493 0.66,494 0.898,495 0.471,496 0.875,497 1.082,498 1.16,499 0.891,500 0.961,501 0.904,502 0.936,503 1.03,504 1.319,505 1.015,506 1.201,507 0.887,508 1.152,509 1.256,510 1.171,511 0.898,512 0.978,513 1.303,514 1.028,515 1.025,516 0.939,517 0.865,518 0.857,519 1.091,520 0.906,521 1.041,522 0.799,523 1.291,524 0.968,525 0.982,526 0.902,527 1.382,528 0.766,529 1.726,530 1.101,531 1.287,532 1.057,533 6,534 0.177,535 3.333,536 2.25,537 1.933,538 0.965,539 0.668,540 0.429,541 0.361,542 0.157,543 11146,544 29476,545 2.09,546 43.1,547 3,548 11,551 4,552 2,553 2,555 1.719,556 1.955,557 3.499,558 1.663,564 79.296,565 1.555,566 3.803,567 4.723,568 5.226,569 5.305,570 5.344,571 2.918,572 4.72,573 4.833,574 3.663,575 1486.99,576 8.411,577 20236.1,579 1,582 289.294,583 1.416,584 4.788,585 0.188,586 0.007,587 0.074,588 0.047,589 0.045,590 0.025,591 0.019,592 0.013,593 0.012,594 0.006,595 0.436,597 0.88,598 0.729,599 147.723,600 0.031,601 0.11,602 0.019,603 0.07,604 -0.137,605 0.054,606 0.206,607 0.112,608 0.104,609 0.071,610 0.225,611 0.072,612 -0.093,613 -0.098,614 0.008,615 -0.005,616 -0.042,617 0.007,618 -0.021,619 -0.269,620 -0.115,621 -0.255,622 0.058,623 -0.215,624 -0.192,625 -0.127,626 -0.085,627 -0.087,628 -0.198,629 -0.113,630 0.005,631 0.019,632 0.103,633 0.099,634 -0.033,635 0.069,636 0.208,637 0.102,638 0.125,639 0.086,640 0.177,641 0.118,642 -0.062,643 0.182,644 -0.184,645 -0.014,646 -0.128,647 -0.047,648 1.498,649 2.255,650 0.759,651 26.278,652 1.002,653 1.132,654 4.466,655 19.947,656 0.686,657 3.497,658 3.829,659 4.111,660 4.382,661 4.615,662 4.644,663 4.71,664 4.787,665 4.89,666 4.868,667 6.86,668 0.651,669 407.95,670 3.497,671 5.043,672 5.9,673 6.783,674 7.654,675 8.54,676 9.415,677 10.303,678 11.179,679 12.067,680 13.7,684 2,687 1,690 2,692 2,695 7,696 2,700 9,702 18,711 2,717 1,718 51,719 19,720 2,721 32,723 54,724 21,725 16,726 5,727 7,729 4,730 5,731 1,734 1,736 1,739 2,741 16,742 5,744 1,750 2,757 22,758 7,759 4,760 8,761 1,764 7,769 0.75,776 1,781 4,785 1,802 3,806 1,807 1,810 29,811 2,816 4,821 1,828 1,836 14.833,837 9.393,838 6.389,839 3.114,840 4.09,841 1.527,842 1.011,843 5.654,844 11.853,845 3.761,846 4.376,847 4.965,848 5.537,849 6.078,850 6.306,851 6.641,852 6.998,853 7.367,854 7.634,855 0.875,856 48,857 10.653,859 4.501,860 7.676,861 20.404,863 16.717,865 2.176,866 63.111,869 1,870 211.88,871 110.423,872 135.571,873 39.149,877 110.423,878 251.028,879 135.571,880 8.825,881 12.282,882 132.128,883 33.571,884 21.756,885 37.431,886 211.88,887 39.149,888 211.88,889 245.994,891 39.149,893 188.338,894 23.542,897 25.763,898 153.456,899 105.923,901 211.88,902 135.571,903 149.571,906 211.88,907 35.264,908 78.161,910 171.718,911 211.88,912 135.571,913 149.571,915 0.582,916 0.348,917 0.194,918 0.107,919 22,920 10,921 0.074,922 4,923 1,924 1.091,925 4.039,926 256.778,927 0.091,928 22,929 140.881,933 19.62,934 8.357,935 4.188,937 135.571,938 13.918,939 8.414,943 6.608,945 65.794,946 497.022,947 42,953 8.822,956 51.105,957 57.754,958 0.274,959 0.67,960 0.833,961 0.921,962 0.935,963 0.942,964 5.001,965 1.618,966 5.889,967 4.932,968 4.511,969 5.063,970 0.623,971 6.706,972 4.428,973 6.214,974 1.54,975 7.452,976 4.372,977 4.111,978 4.856,980 7.612,981 3.957,982 7.524,983 1.4,984 9.113,985 3.955,986 6.111,987 7.26,988 0.317,989 10.713,990 5.963,991 8.867,992 0.792,993 10.831,994 3.014,995 6.509,996 7.849,998 12.451,999 6.305,1000 10.241,1001 0.607,1002 12.587,1003 1.835,1004 7.987,1005 9.733,1006 0.149,1007 15.074,1008 7.783,1009 11.637,1010 0.553,1011 14.369,1012 1.396,1013 8.764,1014 10.714,1016 17.175,1017 8.523,1018 13.05,1019 0.145,1020 16.171,1021 1.109,1022 10.028,1023 12.364,1024 0.067,1025 19.633,1026 9.779,1027 3.171,1028 -0.169,1029 17.989,1030 0.284,1031 10.989,1032 13.55,1034 21.894,1035 10.712,1036 2.926,1037 11.076,1038 19.819,1039 -0.433,1040 12.164,1041 15.085,1042 0.03,1043 24.299,1044 11.875,1045 2.786,1046 9.228,1047 21.66,1048 4.257,1049 13.213,1050 16.379,1052 26.631,1053 12.901,1054 2.3,1055 8.671,1056 23.51,1057 3.825,1058 14.354,1059 17.857,1060 0.013,1061 29.021,1062 14.026,1063 2.234,1064 6.702,1065 25.366,1066 3.805,1067 15.444,1068 19.211,1070 31.386,1071 15.095,1072 1.985,1073 6.576,1074 27.23,1075 3.012,1076 16.575,1077 20.661,1078 0.006,1079 33.775,1080 16.208,1081 1.732,1082 5.702,1083 29.098,1084 2.61,1085 17.686,1086 22.048,1088 36.157,1089 17.299,1090 10550,1091 17328,1092 21.383,1093 34.989,1094 48.184,1095 48.257,1096 49.589,1097 47.757,1098 47.58,1099 62.254,1100 1.315,1101 137.701,1102 45.422,1103 5.479,1104 5.279,1105 6.457,1106 5.216,1107 5.171,1108 7.257,1109 1.315,1110 17.964,1111 5.094,1112 14.046,1113 1.506,1114 1.508,1115 1.55,1116 1.492,1117 1.487,1118 1.945,1119 0.041,1120 4.303,1121 1.419,1122 4.032,1123 4.069,1124 4.059,1125 3.95,1126 5.287,1127 3.953,1128 3.966,1129 4,1130 3.912,1131 3.9,1132 5.041,1133 3.897,1134 3.764,1135 3.809,1136 3.824,1137 3.628,1138 4.976,1139 3.643,1140 3.495,1141 3.569,1142 3.41,1143 3.31,1144 4.77,1145 3.314,1146 3.392,1147 3.485,1148 3.288,1149 3.193,1150 4.664,1151 3.185,1152 3.163,1153 3.249,1154 3.204,1155 2.977,1156 4.465,1157 2.975,1158 3.102,1159 3.205,1160 3.037,1161 2.898,1162 4.222,1163 2.911,1164 3,1165 3.081,1166 2.912,1167 2.807,1168 3.981,1169 2.816,1170 0.142,1171 0.102,1172 0.212,1173 0.13,1174 0.099,1175 4.535,1176 0.133,1177 3.279,1178 0.021,1179 6.77,1180 0.346,1181 4.146,1182 0.097,1183 3.171,1184 4.257,1185 0.657,1186 11.076,1187 3.094,1188 1.975,1189 1.945,1190 2.095,1191 2.084,1192 1.334,1193 2.086,1194 1.953,1195 1.929,1196 2.022,1197 2.052,1198 1.189,1199 2.047,1200 1.706,1201 1.663,1202 1.851,1203 1.864,1204 1.004,1205 1.858,1206 1.461,1207 1.392,1208 1.692,1209 1.67,1210 0.866,1211 1.679,1212 1.381,1213 1.296,1214 1.614,1215 1.632,1216 0.665,1217 1.651,1218 1.14,1219 1.066,1220 1.428,1221 1.383,1222 0.596,1223 1.391,1224 1.015,1225 0.941,1226 1.267,1227 1.357,1228 0.237,1229 1.354,1230 0.946,1231 0.877,1232 1.154,1233 1.194,1234 0.182,1235 1.185,1236 4.174,1238 5.501,1240 7.033,1242 8.66,1244 10.334,1246 1.995,1247 6.366,1250 11.866,1252 3.174,1257 1.948,1262 33.192,1263 79.296,1264 193.937,1265 240.887,1266 266.539,1267 270.539,1268 272.539,1269 44.409,1270 7.763,1271 105.78,1272 105.78,1273 24,1274 12.6,1275 4.322,1276 3.459,1277 44.777,1278 119,1279 116,1280 0.181,1281 209.255,1282 355.53,1283 502.342,1284 27388,1285 2,1286 20.38,1287 0.703,1288 0.583,1289 20.88,1290 16.895,1291 14.046,1292 0.439,1293 0.309,1294 9.426,1295 13.324,1296 9.162,1297 7.599,1298 14.335,1299 9.878,1300 12.671,1301 0.282,1302 0.162,1303 13.042,1304 7.312,1305 10.746,1306 0.179,1307 0.088,1308 11.126,1309 5.308,1310 9.201,1311 0.116,1312 0.047,1313 9.436,1314 3.685,1315 7.519,1316 0.075,1317 0.026,1318 7.761,1319 2.578,1320 0.285,1321 90.366,1322 0.216,1323 27.585,1324 0.49,1325 154,1326 415.053,1327 181.481,1328 445.896,1329 613.45,1330 416,1331 182,1332 450.294,1333 206.386,1334 467.05,1335 679.56,1336 440,1337 5.77}
{0 CHEMBL55928,1 1.664,2 10.875,3 2.021,4 4.084,5 93.293,6 7.771,7 0.654,8 3.863,9 3.993,10 3.452,11 3.303,12 5.077,13 3.327,14 4.332,15 4.505,16 3.785,17 3.636,18 5.516,19 3.648,20 4.465,21 4.643,22 3.869,23 3.756,24 5.661,25 3.753,26 4.531,27 4.723,28 3.742,29 3.768,30 5.659,31 3.714,32 4.614,33 4.853,34 3.539,35 3.718,36 5.626,37 3.618,38 4.506,39 4.782,40 3.332,41 3.562,42 5.449,43 3.442,44 4.325,45 4.606,46 3.262,47 3.411,48 5.216,49 3.312,50 4.12,51 4.35,52 3.308,53 3.313,54 5.184,55 3.255,56 0.104,57 0.66,58 8.34,59 3.08,60 12.397,61 4.136,62 0.347,63 0.955,64 15.508,65 5.145,66 29.241,67 6.87,68 0.442,69 1.105,70 17.29,71 5.452,72 31.724,73 7.6,74 0.339,75 1.107,76 18.815,77 6.53,78 31.385,79 9.203,80 0.496,81 1.074,82 22.966,83 6.936,84 45.762,85 10.195,86 0.45,87 0.937,88 21.532,89 6.133,90 41.694,91 9.398,92 0.355,93 0.765,94 18.411,95 5.379,96 30.672,97 8.307,98 0.232,99 0.683,100 13.534,101 4.565,102 22.745,103 6.661,104 21,105 36,106 0.291,107 0.637,108 0.764,109 0.837,110 0.846,111 0.854,112 3.228,113 0.836,114 -2.6,115 -2.62,116 -2.56,119 38.1,124 2,125 1,139 5,141 3,143 3,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 4,172 3,173 3,175 2,178 1,181 3,182 5,184 1,185 2,187 2,189 1,193 2,195 1,196 2,197 1,198 3,200 2,204 2,205 1,207 3,209 1,210 2,212 2,215 2,218 2,221 1,224 2,225 1,228 1,229 3,233 1,234 1,241 1,245 1,246 6,250 1,251 2,253 1,256 2,260 3,265 1,270 1,273 754,274 16.273,275 16.273,276 16.273,277 16.273,278 16.273,279 14.213,280 23.269,281 9.449,282 16.907,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.461,289 32.993,290 4.317,291 13.556,292 3.728,293 1.752,294 1.027,295 0.607,296 0.56,297 0.512,298 3.91,300 1,301 1,302 1,303 554,304 2.828,307 207.503,311 109.017,314 1.563,315 22.518,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 53,327 261,328 4.541,329 3.204,330 6.502,331 4.032,332 3.079,333 4.491,334 0.86,335 10.175,336 2.933,337 4.265,338 3.129,339 6.165,340 3.847,341 2.899,342 3.91,343 0.86,344 9.125,345 2.744,346 3.782,347 2.716,348 5.367,349 3.393,350 2.447,351 3.237,352 0.657,353 7.013,354 2.315,355 3.547,356 2.406,357 5.192,358 3.156,359 2.216,360 2.866,362 6.494,363 2.08,364 3.427,365 2.185,366 5.062,367 2.963,368 2.031,369 2.811,371 5.8,372 1.884,373 3.356,374 2.157,375 4.964,376 2.894,377 1.947,378 2.678,380 5.735,381 1.839,382 2.919,383 2.033,384 4.365,385 2.521,386 1.609,387 2.057,389 4.124,390 1.461,391 2.454,392 1.185,393 3.71,394 1.962,395 1.01,396 1.435,398 2.565,399 0.958,400 2.05,401 1.058,402 3.314,403 1.77,404 0.854,405 0.988,407 1.907,408 0.777,409 1.804,410 0.94,411 3.012,412 1.507,413 0.603,414 0.702,415 1.144,416 0.541,417 1.471,418 0.886,419 2.753,420 1.193,421 0.34,422 0.371,423 0.467,424 0.287,425 1.337,426 0.23,427 2.609,428 0.944,429 0.021,430 0.027,431 0.049,432 0.019,433 0.976,434 -0.031,435 2.51,436 0.52,437 -0.403,438 -0.495,439 -0.81,440 -0.369,441 0.828,442 -0.294,443 2.415,444 0.448,445 -0.468,446 -0.587,448 -1.156,449 -0.426,450 0.598,451 -0.409,452 2.232,453 0.176,454 -0.756,455 -0.91,457 -1.878,458 -0.694,459 11.067,460 0.461,461 0.571,462 0.024,463 35,464 1.458,465 18.5,466 0.771,467 16.5,468 0.688,469 15.32,470 0.638,471 26.133,472 0.622,473 25.147,474 1.048,475 7.22,476 0.301,477 4.381,478 0.183,479 0.163,481 0.361,485 1.069,486 1.389,487 0.794,488 1.098,489 1.229,490 0.907,491 1.205,492 1.01,493 0.775,494 0.845,495 0.767,496 0.761,497 1,498 1.058,499 0.96,500 0.988,501 0.885,502 0.958,503 0.922,504 1.299,505 1.098,506 1.339,507 0.809,508 1.276,509 1.101,510 1.071,511 1.187,512 1.117,513 1.145,514 1.175,515 0.889,516 0.778,517 1.099,518 0.939,519 1.003,520 1.034,521 0.77,522 0.748,523 0.8,524 0.76,525 0.699,526 0.778,527 0.687,528 1.067,529 0.763,530 1.069,531 0.627,532 0.962,533 5.5,534 0.169,535 2.667,536 1.5,537 1.791,538 0.535,539 0.303,540 0.342,541 0.176,542 0.192,543 6534,544 19580,545 2.04,546 42.9,548 13,551 5,555 1.664,556 1.895,557 3.403,558 2.702,559 1,560 1,562 1,564 69.909,565 1.664,566 3.64,567 4.366,568 4.785,569 4.833,570 4.88,571 2.872,572 4.168,573 4.559,574 3.539,575 976.854,576 7.841,577 11707.1,578 1,579 1,581 1,582 226.477,583 1.459,584 4.507,585 0.212,586 0.011,587 0.074,588 0.039,589 0.056,590 0.021,591 0.015,592 0.017,593 0.008,594 0.01,595 0.464,596 0.17,597 1,598 0.921,599 115.344,600 -0.169,601 -0.15,602 0.023,603 -0.04,604 -0.283,605 0.032,606 -0.059,607 0.08,608 0.148,609 0.169,610 0.126,611 0.182,612 0.028,613 0.088,614 -0.061,615 -0.009,616 0.007,617 -0.043,618 -0.027,619 -0.234,620 -0.197,621 -0.314,622 0.04,623 -0.3,624 -0.128,625 -0.129,626 -0.207,627 -0.128,628 -0.171,629 -0.185,630 -0.06,631 0.142,632 -0.095,633 0.013,634 -0.132,635 -0.037,636 0.047,637 0.119,638 0.221,639 0.231,640 0.079,641 0.263,642 0.153,643 -0.111,644 0.195,645 -0.033,646 0.249,647 0.067,648 1.53,649 1.859,650 0.667,651 20.153,652 1.014,653 1.14,654 1.372,655 1.883,656 0.655,657 3.296,658 3.611,659 3.871,660 4.111,661 4.331,662 4.317,663 4.344,664 4.407,665 4.522,666 4.522,667 6.312,668 0.636,669 326.4,670 3.296,671 4.828,672 5.673,673 6.547,674 7.407,675 8.282,676 9.146,677 10.021,678 10.889,679 11.764,680 14.3,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,716 2,718 42,719 17,720 1,721 26,723 44,724 16,725 13,726 3,727 3,729 3,730 4,741 13,742 3,753 1,754 1,757 18,758 8,759 5,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 1,817 1,818 2,829 4.8,834 2,836 12.667,837 8.017,838 5.417,839 2.106,840 3.345,841 1.472,842 0.988,843 4.758,844 10.44,845 3.57,846 4.22,847 4.834,848 5.43,849 6.016,850 6.238,851 6.526,852 6.852,853 7.262,854 7.322,855 1,856 38,857 8.759,859 3.605,860 7.806,861 16.397,863 12.767,865 2.306,866 55.333,870 153.024,871 95.769,872 134.162,874 22,877 95.769,878 175.024,879 134.162,880 21.766,881 2.106,882 113.176,883 68.367,884 42.288,885 4.227,886 153.024,888 153.024,889 229.93,890 22,893 153.024,894 22,897 11.05,898 150.513,899 68.367,901 153.024,902 156.161,903 95.769,906 153.024,907 26.621,908 69.147,909 18.011,910 138.151,911 153.024,912 156.161,913 95.769,915 0.577,916 0.347,917 0.19,918 0.102,919 17,920 8,921 0.114,922 5,923 1,924 1.125,925 3.616,926 189.081,927 0.125,928 16,929 110.039,933 16.392,934 6.967,935 3.565,936 1.158,937 156.161,938 9.284,939 12.528,943 3.424,945 83.805,946 404.955,947 34.5,956 42.567,957 47.9,958 0.309,959 0.675,960 0.81,961 0.887,962 0.896,963 0.905,964 4.79,965 1.01,966 5.659,967 4.124,968 4.29,969 4.905,970 1.573,971 6.457,972 4.17,973 6.015,974 0.854,975 7.213,976 2.565,977 3.892,978 4.808,980 7.322,981 3.724,982 7.334,983 0.603,984 8.86,985 1.907,986 5.878,987 7.19,988 1.27,989 10.383,990 5.656,991 8.69,992 0.34,993 10.561,994 1.144,995 6.256,996 7.878,998 12.036,999 5.978,1000 10.074,1001 0.021,1002 12.296,1003 0.467,1004 7.722,1005 9.755,1006 1.022,1007 14.621,1008 7.404,1009 11.478,1010 -0.403,1011 14.054,1012 0.049,1013 8.471,1014 10.833,1016 16.626,1017 8.095,1018 12.897,1019 -0.468,1020 15.83,1021 -0.81,1022 9.723,1023 12.494,1024 0.818,1025 19.037,1026 9.309,1027 3.079,1028 -0.756,1029 17.619,1030 -1.156,1031 10.657,1032 13.775,1034 21.203,1035 10.185,1036 2.899,1037 10.175,1038 19.421,1039 -1.878,1040 11.818,1041 15.338,1042 0.65,1043 23.546,1044 11.307,1045 2.447,1046 9.125,1047 21.231,1048 4.491,1049 12.842,1050 16.724,1052 25.786,1053 12.275,1054 2.216,1055 7.013,1056 23.05,1057 3.91,1058 13.967,1059 18.244,1060 0.511,1061 28.104,1062 13.358,1063 2.031,1064 6.494,1065 24.875,1066 3.237,1067 15.034,1068 19.683,1070 30.378,1071 14.371,1072 1.947,1073 5.8,1074 26.706,1075 2.866,1076 16.146,1077 21.185,1078 0.399,1079 32.687,1080 15.439,1081 1.609,1082 5.735,1083 28.542,1084 2.811,1085 17.234,1086 22.651,1088 34.978,1089 16.476,1090 6403,1091 11204,1092 17.107,1093 27.512,1094 38.06,1095 38.979,1096 39.921,1097 38.024,1098 38.11,1099 51.144,1100 4.755,1101 109.197,1102 35.679,1103 5.369,1104 5.204,1105 6.056,1106 5.104,1107 5.079,1108 7.491,1109 1.72,1110 17.069,1111 4.933,1112 12.74,1113 1.464,1114 1.499,1115 1.535,1116 1.462,1117 1.466,1118 1.967,1119 0.183,1120 4.2,1121 1.372,1122 4.055,1123 4.098,1124 4.029,1125 3.925,1126 5.323,1127 3.945,1128 3.915,1129 3.937,1130 3.871,1131 3.815,1132 4.989,1133 3.825,1134 3.534,1135 3.601,1136 3.464,1137 3.341,1138 4.94,1139 3.363,1140 3.294,1141 3.36,1142 3.173,1143 3.039,1144 4.775,1145 3.062,1146 3.247,1147 3.314,1148 3.051,1149 2.952,1150 4.497,1151 2.96,1152 3.125,1153 3.23,1154 3.01,1155 2.893,1156 4.397,1157 2.898,1158 3.096,1159 3.197,1160 2.915,1161 2.796,1162 4.202,1163 2.828,1164 2.791,1165 2.866,1166 2.624,1167 2.652,1168 3.912,1169 2.632,1170 0.175,1171 0.123,1172 0.25,1173 0.155,1174 0.118,1175 4.541,1176 0.173,1177 3.204,1178 0.033,1179 6.502,1180 0.391,1181 4.032,1182 0.113,1183 3.079,1184 4.491,1185 0.86,1186 10.175,1187 2.933,1188 1.971,1189 1.936,1190 2.035,1191 2.122,1192 1.137,1193 2.097,1194 1.87,1195 1.851,1196 1.957,1197 1.996,1198 1.046,1199 1.984,1200 1.461,1201 1.402,1202 1.629,1203 1.699,1204 0.742,1205 1.683,1206 1.224,1207 1.157,1208 1.576,1209 1.524,1210 0.574,1211 1.54,1212 1.191,1213 1.115,1214 1.55,1215 1.518,1216 0.569,1217 1.527,1218 1.092,1219 1.007,1220 1.373,1221 1.383,1222 0.332,1223 1.373,1224 0.995,1225 0.89,1226 1.272,1227 1.351,1228 0.167,1229 1.363,1230 0.813,1231 0.745,1232 1.101,1233 1.002,1234 0.012,1235 1.039,1236 3.97,1238 5.283,1240 6.801,1242 8.416,1244 10.079,1246 3.199,1250 11.443,1252 0.509,1253 3.278,1254 10.51,1262 26.719,1263 69.909,1264 152.894,1265 183.358,1266 200.968,1267 202.968,1268 204.968,1269 32.52,1270 7.095,1271 121.2,1272 121.2,1273 18,1274 12.305,1275 4.17,1276 3.248,1277 39.521,1278 93,1279 82,1280 0.212,1281 167.407,1282 278.04,1283 400.233,1284 11138,1286 17.104,1287 0.713,1288 0.559,1289 17.104,1290 13.407,1291 11.601,1292 0.446,1293 0.279,1294 7.082,1295 10.965,1296 6.879,1297 5.761,1298 11.601,1299 7.25,1300 10.25,1301 0.285,1302 0.141,1303 10.25,1304 5.061,1305 8.647,1306 0.184,1307 0.074,1308 8.647,1309 3.501,1310 7.228,1311 0.12,1312 0.039,1313 7.228,1314 2.333,1315 5.784,1316 0.077,1317 0.021,1318 5.784,1319 1.544,1320 0.337,1321 74.092,1322 0.242,1323 23.613,1324 0.567,1325 124,1326 399.364,1327 139.915,1328 383.227,1329 528.3,1330 360,1331 145,1332 394.922,1333 161.026,1334 401.301,1335 582.4,1336 374,1337 7.222}
{0 CHEMBL560502,1 1.579,2 13.171,3 3.947,4 15.579,5 139.277,6 7.502,7 0.474,8 4.24,9 4.364,10 3.798,11 3.755,12 5.425,13 3.745,14 4.733,15 4.902,16 4.149,17 4.134,18 5.868,19 4.102,20 4.983,21 5.171,22 4.283,23 4.306,24 6.116,25 4.261,26 5.112,27 5.321,28 4.259,29 4.351,30 6.226,31 4.286,32 5.152,33 5.365,34 4.19,35 4.352,36 6.265,37 4.269,38 5.143,39 5.382,40 4.153,41 4.283,42 6.247,43 4.196,44 5.031,45 5.25,46 4.148,47 4.187,48 6.274,49 4.114,50 4.986,51 5.213,52 4.047,53 4.114,54 6.121,55 4.052,56 0.105,57 0.949,58 12.79,59 5.413,60 18.197,61 7.04,62 0.309,63 1.46,64 22.926,65 9.131,66 34.17,67 12.206,68 0.408,69 1.795,70 30.47,71 11.157,72 55.871,73 15.448,74 0.466,75 1.948,76 36.183,77 12.601,78 68.563,79 17.363,80 0.511,81 1.955,82 38.353,83 13.245,84 83.459,85 18.138,86 0.631,87 1.856,88 39.663,89 13.271,90 85.613,91 18.734,92 0.655,93 1.664,94 34.741,95 12.149,96 106.65,97 16.956,98 0.733,99 1.577,100 34.166,101 10.503,102 94.301,103 14.54,104 42,105 53,106 0.251,107 0.644,108 0.832,109 0.897,110 0.902,111 0.902,112 3.588,113 0.894,114 -4.5,115 -4.42,116 -4.17,119 41.3,120 1,121 3,124 1,127 1,134 2,139 6,140 5,141 2,142 1,144 1,147 1,151 1,153 1,157 2,158 2,159 2,160 1,166 15,169 2,170 8,172 3,173 3,175 2,178 15,180 1,181 1,182 14,185 1,187 3,189 12,191 1,193 15,195 1,196 1,197 1,198 5,200 2,201 11,204 2,205 1,207 14,212 5,215 13,218 3,220 2,221 9,226 2,229 12,231 2,233 1,234 8,237 4,238 1,239 3,240 1,241 10,243 3,245 2,246 8,248 1,249 2,251 2,254 9,256 2,260 4,264 1,265 3,267 1,268 11,270 1,273 2295,274 23.67,275 23.67,276 23.67,277 23.67,278 23.67,279 20.972,280 27.373,281 13.913,282 24.116,283 18.635,284 18.635,285 18.635,286 18.635,287 18.635,288 14.443,289 36.879,290 6.391,291 19.276,292 4.398,293 1.93,294 0.746,295 0.341,296 0.31,297 0.31,298 4.282,302 1,303 987,304 3.808,307 445.308,311 172.738,314 1.948,315 39.269,318 1,319 0.67,320 1,321 0.8,322 0.5,323 1,324 1,325 0.85,326 76,327 461,328 4.437,329 3.695,330 6.787,331 4.162,332 3.185,333 4.122,334 1.081,335 11.152,336 3.111,337 4.407,338 3.287,339 6.48,340 4.026,341 3.056,342 3.944,343 0.86,344 10.069,345 2.965,346 4.228,347 3.174,348 6.087,349 3.81,350 2.854,351 3.876,352 0.68,353 8.838,354 2.734,355 3.917,356 3.063,357 6.007,358 3.585,359 2.59,360 3.216,361 0.473,362 8.428,363 2.567,364 3.6,365 2.536,366 5.281,367 3.233,368 2.277,369 2.933,371 6.714,372 2.177,373 3.398,374 2.311,375 5.134,376 3.045,377 2.06,378 2.671,380 5.934,381 2.024,382 3.356,383 2.179,384 5.038,385 2.938,386 1.997,387 2.629,389 5.652,390 1.885,391 3.225,392 2.158,393 4.921,394 2.908,395 1.928,396 2.362,398 5.639,399 1.863,400 3.083,401 2.048,402 4.323,403 2.575,404 1.583,405 2.253,407 3.967,408 1.566,409 2.823,410 1.718,411 4.143,412 2.353,413 1.421,414 1.952,415 3.671,416 1.32,417 2.762,418 1.505,419 3.772,420 2.311,421 1.316,422 1.805,423 2.98,424 1.308,425 2.501,426 1.425,427 3.613,428 2.244,429 1.249,430 1.47,431 2.693,432 1.241,433 2.406,434 1.289,435 3.606,436 1.898,437 1.002,438 1.197,439 2.217,440 0.885,441 2.051,442 0.994,443 3.148,444 1.742,445 0.765,446 0.956,448 1.525,449 0.746,450 1.939,451 0.872,452 3.046,453 1.453,454 0.465,455 0.662,457 1.042,458 0.456,459 16.4,460 0.469,461 0.853,462 0.024,463 46.75,464 1.336,465 24.5,466 0.7,467 22.25,468 0.636,469 30.496,470 0.871,471 37.6,472 0.597,473 40.411,474 1.155,475 9.332,476 0.267,477 7.573,478 0.216,479 0.15,481 0.36,485 0.889,486 1.174,487 0.815,488 1.017,489 0.891,490 0.916,491 0.766,492 1.015,493 0.795,494 0.977,495 0.568,496 0.911,497 0.852,498 1.16,499 0.904,500 1.061,501 0.793,502 0.997,503 1.108,504 1.038,505 1.048,506 1.06,507 0.995,508 1.043,509 1.269,510 1.084,511 1.165,512 1.115,513 1.398,514 1.125,515 1.028,516 0.942,517 0.959,518 0.97,519 1.201,520 0.956,521 0.864,522 1.1,523 0.884,524 1.099,525 1.12,526 1.027,527 1.402,528 0.833,529 1.055,530 0.836,531 1.514,532 0.884,533 7,534 0.31,535 4.444,536 2.938,537 2.404,538 1.194,539 0.996,540 0.609,541 0.472,542 0.404,543 17852,544 48582,545 2.041,546 44.4,547 7,548 12,550 2,551 5,553 2,555 1.769,556 1.892,557 3.643,558 2.275,564 99.487,565 1.579,566 4.047,567 5.231,568 5.636,569 5.668,570 5.668,571 3.068,572 4.901,573 5.103,574 3.836,575 2282.52,576 8.971,577 35883,582 376.569,583 1.472,584 5.05,585 0.184,586 0.008,587 0.084,588 0.05,589 0.043,590 0.023,591 0.02,592 0.013,593 0.011,594 0.009,595 0.445,597 0.88,598 0.965,599 189.487,600 -0.069,601 0.031,602 0.022,603 0.044,604 -0.137,605 0.049,606 0.098,607 0.096,608 0.1,609 0.06,610 0.097,611 0.07,612 0.049,613 -0.085,614 0.017,615 -0.045,616 0.043,617 -0.019,618 -0.111,619 -0.006,620 -0.091,621 -0.066,622 -0.031,623 -0.071,624 -0.196,625 -0.089,626 -0.193,627 -0.117,628 -0.181,629 -0.148,630 0.017,632 0.043,633 0.021,634 -0.025,635 0.039,636 0.258,637 -0.159,638 0.111,639 -0.091,640 0.215,641 -0.033,642 -0.065,643 0.131,644 -0.025,645 0.121,646 -0.157,647 0.065,648 1.933,649 6.181,650 0.629,651 36.596,652 1.005,653 1.13,654 3.267,655 10.675,656 0.663,657 3.664,658 3.989,659 4.277,660 4.543,661 4.762,662 4.812,663 4.89,664 4.977,665 5.094,666 5.081,667 7.736,668 0.636,669 472.6,670 3.664,671 5.209,672 6.066,673 6.95,674 7.823,675 8.711,676 9.589,677 10.478,678 11.359,679 12.248,680 9.5,684 2,687 1,689 1,690 2,695 7,696 2,700 9,702 18,711 2,715 1,716 1,718 63,719 21,720 2,721 38,723 66,724 26,725 16,726 6,727 6,728 4,729 4,730 5,732 1,734 1,736 1,739 4,741 20,742 6,744 3,748 1,749 3,750 1,751 1,757 28,758 9,759 5,760 9,764 6,769 0.75,770 3,776 1,781 4,785 1,795 2,802 3,806 2,810 35,811 2,815 1,816 3,818 1,820 1,821 1,829 4.8,831 1,832 1,834 1,836 18.5,837 11.667,838 7.861,839 3.684,840 4.335,841 1.54,842 0.964,843 7.566,844 12.365,845 3.932,846 4.516,847 5.089,848 5.634,849 6.166,850 6.367,851 6.694,852 7.032,853 7.435,854 7.663,855 0.889,856 59,857 12.93,859 5.494,860 7.843,861 24.307,863 19.666,865 2.343,866 82,870 270.735,871 151.32,872 119.03,874 78.828,877 151.32,878 349.564,879 119.03,880 19.708,881 10.605,882 141.604,883 138.694,884 57.882,885 4.227,886 247.193,888 270.735,889 270.35,890 78.828,893 247.193,894 102.37,897 47.04,898 161.739,899 61.571,901 270.735,902 197.858,903 151.32,906 270.735,907 37.707,908 116.615,910 194.857,911 270.735,912 197.858,913 151.32,915 0.577,916 0.349,917 0.197,918 0.108,919 24,920 12,921 0.106,922 7,923 1,924 1.091,925 4.435,926 330.699,927 0.091,928 22,929 179.525,933 24.55,934 10.786,935 5.409,937 197.858,938 12.906,939 7.964,943 4.608,945 108.478,946 619.913,947 50,951 13.181,952 4.765,953 4.422,954 -0.266,956 63.312,957 71.185,958 0.264,959 0.677,960 0.875,961 0.943,962 0.948,963 0.948,964 5.173,965 1.928,966 6.057,967 5.652,968 4.673,969 5.204,970 1.823,971 6.884,972 4.611,973 6.383,974 1.583,975 7.629,976 5.639,977 4.29,978 4.987,980 7.825,981 4.198,982 7.69,983 1.421,984 9.302,985 3.967,986 6.282,987 7.371,988 1.678,989 10.933,990 6.166,991 9.032,992 1.316,993 11.033,994 3.671,995 6.711,996 7.944,998 12.694,999 6.561,1000 10.403,1001 1.249,1002 12.801,1003 2.98,1004 8.177,1005 9.809,1006 1.653,1007 15.325,1008 8.008,1009 11.795,1010 1.002,1011 14.596,1012 2.693,1013 8.981,1014 10.764,1016 17.43,1017 8.779,1018 13.204,1019 0.765,1020 16.409,1021 2.217,1022 10.239,1023 12.398,1024 1.691,1025 19.896,1026 10.017,1027 3.185,1028 0.465,1029 18.236,1030 1.525,1031 11.22,1032 13.553,1034 22.153,1035 10.966,1036 3.056,1037 11.152,1038 20.074,1039 1.042,1040 12.395,1041 15.072,1042 1.765,1043 24.562,1044 12.119,1045 2.854,1046 10.069,1047 21.922,1048 4.122,1049 13.457,1050 16.335,1052 26.888,1053 13.152,1054 2.59,1055 8.838,1056 23.777,1057 3.944,1058 14.601,1059 17.794,1060 1.862,1061 29.28,1062 14.273,1063 2.277,1064 8.428,1065 25.638,1066 3.876,1067 15.7,1068 19.115,1070 31.639,1071 15.345,1072 2.06,1073 6.714,1074 27.504,1075 3.216,1076 16.835,1077 20.544,1078 1.974,1079 34.028,1080 16.456,1081 1.997,1082 5.934,1083 29.374,1084 2.933,1085 17.953,1086 21.897,1088 36.405,1089 17.547,1090 17131,1091 28452,1092 24.967,1093 41.773,1094 57.292,1095 58.031,1096 59.231,1097 56.16,1098 56.135,1099 72.861,1100 6.187,1101 162.381,1102 54.286,1103 5.312,1104 5.695,1105 6.545,1106 5.231,1107 5.185,1108 7.122,1109 2.162,1110 18.521,1111 5.111,1112 19.626,1113 1.508,1114 1.527,1115 1.559,1116 1.478,1117 1.477,1118 1.917,1119 0.163,1120 4.273,1121 1.429,1122 4.04,1123 4.072,1124 3.992,1125 3.955,1126 7.429,1127 3.959,1128 3.968,1129 3.997,1130 3.921,1131 3.896,1132 6.47,1133 3.897,1134 3.824,1135 3.867,1136 3.79,1137 3.669,1138 5.291,1139 3.693,1140 3.634,1141 3.688,1142 3.553,1143 3.499,1144 4.979,1145 3.495,1146 3.536,1147 3.584,1148 3.387,1149 3.382,1150 4.859,1151 3.384,1152 3.314,1153 3.377,1154 3.199,1155 3.122,1156 4.768,1157 3.131,1158 3.268,1159 3.331,1160 3.15,1161 3.044,1162 4.464,1163 3.063,1164 3.131,1165 3.228,1166 2.966,1167 2.919,1168 4.446,1169 2.905,1170 0.117,1171 0.097,1172 0.179,1173 0.11,1174 0.084,1175 4.437,1176 0.108,1177 3.695,1178 0.028,1179 6.787,1180 0.293,1181 4.162,1182 0.082,1183 3.185,1184 4.122,1185 1.081,1186 11.152,1187 3.111,1188 1.979,1189 1.952,1190 2.084,1191 2.087,1192 1.339,1193 2.085,1194 1.949,1195 1.929,1196 2.036,1197 2.049,1198 1.224,1199 2.044,1200 1.75,1201 1.709,1202 1.897,1203 1.93,1204 1.067,1205 1.904,1206 1.637,1207 1.576,1208 1.833,1209 1.8,1210 0.917,1211 1.836,1212 1.492,1213 1.454,1214 1.637,1215 1.69,1216 0.709,1217 1.674,1218 1.263,1219 1.199,1220 1.573,1221 1.537,1222 0.594,1223 1.548,1224 1.22,1225 1.157,1226 1.493,1227 1.454,1228 0.572,1229 1.467,1230 1.076,1231 1.005,1232 1.346,1233 1.388,1234 0.369,1235 1.38,1236 4.344,1238 5.666,1240 7.194,1242 8.82,1244 10.497,1246 3.542,1250 11.536,1251 10.539,1252 2.062,1254 5.383,1256 -0.145,1257 1.505,1262 40.068,1263 99.487,1264 254.979,1265 329.549,1266 355.059,1267 357.059,1268 357.059,1269 77.487,1270 8.029,1271 139.95,1272 139.95,1273 24,1274 12.779,1275 4.459,1276 3.7,1277 59.42,1278 163,1279 168,1280 0.174,1281 248.223,1282 436.91,1283 597.425,1284 38513,1286 24.949,1287 0.713,1288 0.562,1289 24.949,1290 19.679,1291 16.905,1292 0.445,1293 0.298,1294 11.159,1295 16.259,1296 10.863,1297 9.085,1298 16.905,1299 11.318,1300 14.995,1301 0.283,1302 0.156,1303 14.995,1304 8.247,1305 12.678,1306 0.179,1307 0.082,1308 12.678,1309 5.838,1310 10.886,1311 0.117,1312 0.045,1313 10.886,1314 4.202,1315 8.588,1316 0.074,1317 0.025,1318 8.588,1319 2.842,1320 0.276,1321 106.134,1322 0.2,1323 32.183,1324 0.472,1325 182,1326 536.826,1327 199.715,1328 523.687,1329 716.41,1330 488,1331 215,1332 533.35,1333 233.243,1334 542.151,1335 789.26,1336 508,1337 4.602}
{0 CHEMBL560702,1 1.579,2 13.086,3 3.742,4 14.001,5 139.445,6 7.502,7 0.474,8 4.24,9 4.364,10 3.805,11 3.747,12 5.415,13 3.74,14 4.74,15 4.911,16 4.148,17 4.116,18 5.858,19 4.092,20 4.945,21 5.121,22 4.293,23 4.296,24 6.065,25 4.26,26 5.097,27 5.295,28 4.277,29 4.361,30 6.205,31 4.301,32 5.171,33 5.381,34 4.192,35 4.367,36 6.246,37 4.282,38 5.141,39 5.373,40 4.111,41 4.288,42 6.208,43 4.187,44 5.073,45 5.327,46 4.148,47 4.183,48 6.142,49 4.102,50 4.952,51 5.154,52 4.126,53 4.127,54 6.106,55 4.087,56 0.086,57 0.946,58 12.735,59 5.406,60 15.013,61 7.042,62 0.377,63 1.44,64 23.644,65 8.992,66 36.574,67 11.893,68 0.391,69 1.757,70 28.833,71 10.666,72 45.216,73 14.618,74 0.433,75 1.944,76 34.949,77 12.436,78 59.826,79 16.934,80 0.553,81 1.965,82 39.258,83 13.691,84 71.59,85 18.494,86 0.6,87 1.856,88 39.098,89 13.568,90 79.481,91 18.992,92 0.674,93 1.688,94 37.841,95 12.808,96 74.942,97 18.559,98 0.647,99 1.58,100 31.822,101 10.057,102 74.451,103 13.699,104 46,105 53,106 0.251,107 0.626,108 0.81,109 0.869,110 0.88,111 0.895,112 3.588,113 0.885,114 -4.5,115 -4.42,116 -4.17,119 41.3,120 1,121 2,124 2,127 1,134 2,139 6,140 5,141 2,142 1,144 1,147 1,151 1,153 1,157 2,158 2,159 2,160 1,166 14,169 2,170 9,172 3,173 3,175 1,178 14,180 1,181 2,182 16,187 1,189 12,191 1,193 17,195 1,196 1,197 1,198 2,200 2,201 10,204 2,205 1,207 15,212 3,215 11,218 3,220 2,221 8,226 2,229 9,231 2,233 5,234 8,236 1,237 1,239 3,241 8,243 3,245 3,246 8,248 1,249 1,251 2,254 8,256 2,260 6,262 1,263 1,265 1,268 10,270 1,273 2359,274 23.834,275 23.834,276 23.834,277 23.834,278 23.834,279 21.188,280 29.53,281 13.825,282 24.418,283 18.534,284 18.534,285 18.534,286 18.534,287 18.534,288 14.332,289 40.027,290 6.239,291 19.286,292 4.398,293 2.044,294 0.885,295 0.512,296 0.449,297 0.353,298 4.282,302 1,303 981,304 3.808,307 448.535,311 173.604,314 1.864,315 34.892,318 1,319 0.67,320 1,321 0.8,322 0.5,323 1,324 1,325 0.85,326 76,327 458,328 4.448,329 3.694,330 6.784,331 4.159,332 3.182,333 4.134,334 1.081,335 11.127,336 3.108,337 4.409,338 3.327,339 6.528,340 4.041,341 3.075,342 3.943,343 0.86,344 10.29,345 2.974,346 4.23,347 3.173,348 6.088,349 3.813,350 2.856,351 3.877,352 0.86,353 8.843,354 2.736,355 3.919,356 3.071,357 6.007,358 3.586,359 2.591,360 3.218,361 0.68,362 8.428,363 2.568,364 3.601,365 2.537,366 5.281,367 3.234,368 2.279,369 2.935,370 0.473,371 6.715,372 2.177,373 3.433,374 2.365,375 5.22,376 3.067,377 2.101,378 2.688,380 6.26,381 2.026,382 3.362,383 2.297,384 5.081,385 2.939,386 1.999,387 2.66,389 5.669,390 1.901,391 3.219,392 2.177,393 4.921,394 2.925,395 1.937,396 2.354,398 5.65,399 1.868,400 3.089,401 2.048,402 4.328,403 2.578,404 1.588,405 2.256,407 3.977,408 1.568,409 2.823,410 1.772,411 4.146,412 2.353,413 1.422,414 1.952,415 3.672,416 1.321,417 2.766,418 1.53,419 3.821,420 2.313,421 1.326,422 1.807,423 2.985,424 1.306,425 2.446,426 1.423,427 3.646,428 2.042,429 1.111,430 1.36,431 2.507,432 1.034,433 2.413,434 1.097,435 3.579,436 1.958,437 1.007,438 1.256,439 2.288,440 0.941,441 2.013,442 0.996,443 3.124,444 1.518,445 0.549,446 0.764,448 1.176,449 0.529,450 1.648,451 0.87,452 2.982,453 1.35,454 0.415,455 0.474,457 0.838,458 0.373,459 16.4,460 0.469,461 0.815,462 0.023,463 47,464 1.343,465 24.5,466 0.7,467 22.5,468 0.643,469 30.378,470 0.868,471 37.6,472 0.597,473 40.742,474 1.164,475 9.576,476 0.274,477 7.367,478 0.21,479 0.161,481 0.36,485 0.858,486 1.227,487 0.797,488 1.076,489 0.841,490 0.943,491 0.978,492 0.937,493 0.804,494 0.877,495 0.649,496 0.831,497 0.885,498 1.173,499 0.906,500 1.059,501 0.815,502 0.991,503 1.124,504 1.071,505 1.085,506 1.116,507 1.074,508 1.092,509 1.352,510 1.062,511 1.192,512 1.114,513 1.285,514 1.133,515 1.007,516 1.038,517 1.046,518 1.099,519 1.34,520 1.088,521 0.65,522 0.93,523 0.666,524 0.896,525 0.825,526 0.811,527 1.417,528 1.012,529 1.049,530 0.949,531 1.585,532 0.947,533 7,534 0.293,535 4.444,536 2.938,537 2.524,538 1.174,539 0.936,540 0.644,541 0.485,542 0.439,543 17696,544 48198,545 2.041,546 44.4,547 5,548 15,550 2,551 4,553 2,555 1.77,556 1.892,557 3.646,558 1.52,564 99.487,565 1.579,566 3.933,567 5.092,568 5.465,569 5.529,570 5.624,571 3.068,572 5.129,573 5.103,574 3.816,575 2270.41,576 8.974,577 35555.8,582 376.569,583 1.472,584 5.05,585 0.184,586 0.007,587 0.084,588 0.049,589 0.044,590 0.023,591 0.02,592 0.013,593 0.01,594 0.01,595 0.445,597 0.88,598 0.887,599 189.15,600 -0.037,601 -0.022,602 0.041,603 -0.017,604 -0.118,605 0.022,606 0.043,607 0.156,608 0.117,609 0.148,610 0.084,611 0.137,612 0.037,613 -0.075,614 0.005,615 -0.04,616 0.03,617 -0.021,618 -0.122,619 -0.017,620 -0.141,621 -0.117,622 -0.059,623 -0.125,624 -0.218,625 -0.082,626 -0.215,627 -0.109,628 -0.152,629 -0.154,630 0.011,631 -0.096,632 -0.056,633 -0.094,634 -0.078,635 -0.087,636 0.342,637 -0.035,638 0.353,639 0.105,640 0.249,641 0.209,642 -0.048,643 -0.009,644 -0.04,645 0.016,646 -0.13,647 -0.01,648 1.898,649 6.166,650 0.629,651 36.469,652 1.005,653 1.13,654 3.267,655 10.675,656 0.663,657 3.664,658 3.989,659 4.29,660 4.554,661 4.771,662 4.796,663 4.905,664 4.99,665 5.1,666 5.106,667 7.647,668 0.636,669 472.6,670 3.664,671 5.209,672 6.071,673 6.956,674 7.832,675 8.719,676 9.6,677 10.488,678 11.371,679 12.26,680 9.5,684 2,687 1,689 1,690 2,695 7,696 2,700 9,702 18,711 2,716 2,718 63,719 21,720 2,721 38,723 66,724 26,725 16,726 6,727 6,728 4,729 4,730 5,732 1,734 1,736 1,739 3,741 20,742 6,744 3,748 1,749 3,750 1,751 1,757 28,758 9,759 4,760 9,764 6,769 0.75,770 3,776 1,781 4,785 1,795 2,802 3,806 3,810 35,811 2,816 2,818 2,820 1,821 1,829 4.8,832 1,834 2,836 18.5,837 12.133,838 7.944,839 3.593,840 4.288,841 1.535,842 0.974,843 7.566,844 12.297,845 3.932,846 4.516,847 5.101,848 5.649,849 6.182,850 6.377,851 6.722,852 7.057,853 7.449,854 7.698,855 0.889,856 60,857 12.893,859 5.405,860 7.786,861 24.324,863 19.475,865 2.286,866 80,870 282.506,871 164.912,872 119.03,874 47.145,877 164.912,878 329.651,879 119.03,880 30.591,881 8.071,882 141.604,883 96.01,884 74.125,885 4.227,886 258.964,888 282.506,889 283.942,890 47.145,893 258.964,894 70.687,897 44.506,898 177.865,899 61.571,901 282.506,902 166.175,903 164.912,906 282.506,907 40.415,908 127.498,910 163.173,911 282.506,912 166.175,913 164.912,915 0.576,916 0.358,917 0.202,918 0.108,919 24,920 12,921 0.106,922 7,923 1,924 1.091,925 4.417,926 331.961,927 0.091,928 22,929 179.525,933 24.55,934 10.786,935 5.252,937 166.175,938 13.333,939 8.052,943 5.871,945 65.794,946 613.593,947 50,951 13.166,952 4.922,953 4.415,954 -0.231,956 63.312,957 71.185,958 0.264,959 0.658,960 0.852,961 0.914,962 0.925,963 0.941,964 5.173,965 1.937,966 6.061,967 5.669,968 4.673,969 5.204,970 2.037,971 6.895,972 4.604,973 6.383,974 1.588,975 7.638,976 5.65,977 4.29,978 4.987,980 7.854,981 4.198,982 7.692,983 1.422,984 9.313,985 3.977,986 6.29,987 7.376,988 1.864,989 10.956,990 6.164,991 9.036,992 1.326,993 11.047,994 3.672,995 6.723,996 7.952,998 12.729,999 6.569,1000 10.409,1001 1.111,1002 12.818,1003 2.985,1004 8.188,1005 9.816,1006 1.797,1007 15.356,1008 8.009,1009 11.803,1010 1.007,1011 14.615,1012 2.507,1013 8.997,1014 10.775,1016 17.469,1017 8.786,1018 13.214,1019 0.549,1020 16.429,1021 2.288,1022 10.254,1023 12.408,1024 1.795,1025 19.935,1026 10.02,1027 3.182,1028 0.415,1029 18.258,1030 1.176,1031 11.238,1032 13.567,1034 22.196,1035 10.973,1036 3.075,1037 11.127,1038 20.098,1039 0.838,1040 12.413,1041 15.085,1042 1.838,1043 24.605,1044 12.124,1045 2.856,1046 10.29,1047 21.947,1048 4.134,1049 13.477,1050 16.351,1052 26.932,1053 13.158,1054 2.591,1055 8.843,1056 23.803,1057 3.943,1058 14.621,1059 17.811,1060 1.912,1061 29.323,1062 14.278,1063 2.279,1064 8.428,1065 25.665,1066 3.877,1067 15.722,1068 19.135,1070 31.682,1071 15.351,1072 2.101,1073 6.715,1074 27.533,1075 3.218,1076 16.858,1077 20.565,1078 2.007,1079 34.069,1080 16.461,1081 1.999,1082 6.26,1083 29.404,1084 2.935,1085 17.977,1086 21.921,1088 36.444,1089 17.553,1090 16978,1091 28190,1092 24.967,1093 41.773,1094 57.038,1095 58.217,1096 59.52,1097 56.042,1098 56.102,1099 72.835,1100 7.907,1101 162.885,1102 54.012,1103 5.315,1104 5.694,1105 6.467,1106 5.228,1107 5.182,1108 7.134,1109 2.162,1110 18.497,1111 5.108,1112 19.603,1113 1.501,1114 1.532,1115 1.566,1116 1.475,1117 1.476,1118 1.917,1119 0.208,1120 4.286,1121 1.421,1122 4.04,1123 4.071,1124 3.993,1125 3.955,1126 7.429,1127 3.959,1128 3.969,1129 3.998,1130 3.922,1131 3.896,1132 5.291,1133 3.898,1134 3.825,1135 3.869,1136 3.792,1137 3.67,1138 4.98,1139 3.693,1140 3.614,1141 3.656,1142 3.551,1143 3.46,1144 4.926,1145 3.472,1146 3.465,1147 3.524,1148 3.309,1149 3.329,1150 4.85,1151 3.317,1152 3.318,1153 3.378,1154 3.193,1155 3.085,1156 4.501,1157 3.103,1158 3.272,1159 3.339,1160 3.144,1161 3.061,1162 4.461,1163 3.074,1164 3.216,1165 3.29,1166 3.033,1167 2.932,1168 4.446,1169 2.941,1170 0.117,1171 0.097,1172 0.179,1173 0.109,1174 0.084,1175 4.448,1176 0.109,1177 3.694,1178 0.028,1179 6.784,1180 0.293,1181 4.159,1182 0.082,1183 3.182,1184 4.134,1185 1.081,1186 11.127,1187 3.108,1188 1.977,1189 1.952,1190 2.079,1191 2.085,1192 1.3,1193 2.082,1194 1.95,1195 1.93,1196 2.037,1197 2.05,1198 1.23,1199 2.045,1200 1.751,1201 1.71,1202 1.839,1203 1.933,1204 0.976,1205 1.906,1206 1.578,1207 1.528,1208 1.823,1209 1.754,1210 0.921,1211 1.773,1212 1.459,1213 1.411,1214 1.638,1215 1.652,1216 0.647,1217 1.656,1218 1.248,1219 1.187,1220 1.575,1221 1.539,1222 0.574,1223 1.549,1224 1.219,1225 1.152,1226 1.558,1227 1.52,1228 0.565,1229 1.534,1230 1.173,1231 1.094,1232 1.415,1233 1.43,1234 0.489,1235 1.434,1236 4.344,1238 5.666,1240 7.198,1242 8.828,1244 10.509,1246 5.157,1250 11.621,1252 1.192,1254 11.123,1256 -0.135,1257 1.513,1262 40.068,1263 99.487,1264 247.782,1265 320.794,1266 344.304,1267 348.304,1268 354.304,1269 69.932,1270 8.009,1271 128.95,1272 128.95,1273 24,1274 12.79,1275 4.459,1276 3.7,1277 59.375,1278 159,1279 166,1280 0.176,1281 248.223,1282 436.91,1283 597.425,1284 36988,1286 24.949,1287 0.713,1288 0.57,1289 24.949,1290 19.933,1291 16.943,1292 0.446,1293 0.295,1294 11.021,1295 16.211,1296 10.683,1297 8.95,1298 16.943,1299 11.206,1300 14.806,1301 0.279,1302 0.152,1303 14.806,1304 8.05,1305 12.858,1306 0.179,1307 0.082,1308 12.858,1309 5.868,1310 10.953,1311 0.117,1312 0.044,1313 10.953,1314 4.179,1315 8.841,1316 0.076,1317 0.024,1318 8.841,1319 2.829,1320 0.278,1321 106.9,1322 0.2,1323 32.133,1324 0.48,1325 182,1326 548.412,1327 200.49,1328 529.463,1329 727.33,1330 496,1331 216,1332 540.865,1333 235.24,1334 550.332,1335 800.91,1336 514,1337 4.602}
{0 CHEMBL561644,1 1.541,2 13.289,3 4.602,4 21.177,5 151.317,6 7.324,7 0.429,8 4.346,9 4.47,10 3.897,11 3.869,12 5.466,13 3.853,14 4.881,15 5.052,16 4.253,17 4.275,18 5.935,19 4.234,20 5.133,21 5.33,22 4.368,23 4.447,24 6.155,25 4.382,26 5.252,27 5.472,28 4.394,29 4.491,30 6.278,31 4.422,32 5.3,33 5.508,34 4.389,35 4.538,36 6.339,37 4.462,38 5.324,39 5.543,40 4.328,41 4.522,42 6.386,43 4.422,44 5.3,45 5.553,46 4.264,47 4.411,48 6.328,49 4.301,50 5.146,51 5.379,52 4.205,53 4.288,54 6.203,55 4.215,56 0.068,57 1.049,58 14.699,59 6.261,60 14.989,61 8.273,62 0.35,63 1.659,64 27.551,65 10.828,66 37.205,67 14.486,68 0.376,69 2.063,70 36.289,71 13.531,72 50.513,73 18.996,74 0.441,75 2.239,76 42.506,77 14.761,78 66.119,79 20.761,80 0.527,81 2.305,82 44.67,83 15.522,84 68.677,85 21.273,86 0.591,87 2.292,88 46.226,89 16.588,90 85.174,91 22.997,92 0.728,93 2.116,94 47.259,95 16.61,96 93.841,97 23.778,98 0.666,99 1.875,100 40.054,101 12.958,102 81.824,103 18.27,104 30,105 59,106 0.24,107 0.601,108 0.783,109 0.853,110 0.862,111 0.875,112 3.668,113 0.91,114 -5.09,115 -4.99,116 -4.67,119 41.4,121 5,122 1,124 2,127 1,134 2,139 6,140 5,141 2,142 1,144 1,147 1,151 1,153 1,157 2,158 2,159 2,160 1,166 18,169 2,170 9,172 3,173 3,175 1,178 19,180 1,181 2,182 17,187 1,189 13,191 1,193 20,195 1,196 1,197 1,198 2,200 2,201 14,204 2,205 1,207 18,212 3,215 18,218 3,220 2,221 10,226 2,229 17,231 2,233 5,234 8,236 1,237 1,239 3,241 13,243 3,245 3,246 8,248 1,249 1,251 2,254 11,256 2,260 7,262 1,263 1,265 1,268 13,270 1,273 2758,274 26.032,275 26.032,276 26.032,277 26.032,278 26.032,279 23.386,280 29.53,281 15.225,282 26.613,283 20.607,284 20.607,285 20.607,286 20.607,287 20.607,288 16.409,289 40.027,290 7.025,291 21.351,292 4.588,293 2.265,294 1.1,295 0.65,296 0.593,297 0.507,298 4.372,302 1,303 1104,304 3.742,306 81.117,307 478.206,311 185.181,314 1.921,315 36.745,318 0.75,319 0.67,320 0.83,321 0.7,322 0.5,323 0.83,324 1,325 0.75,326 82,327 505,328 4.465,329 3.717,330 6.968,331 4.243,332 3.265,333 4.134,334 1.081,335 11.832,336 3.193,337 4.434,338 3.328,339 6.528,340 4.042,341 3.076,342 3.957,343 0.86,344 10.291,345 2.975,346 4.23,347 3.227,348 6.088,349 3.813,350 2.856,351 3.877,352 0.86,353 8.843,354 2.736,355 3.925,356 3.071,357 6.012,358 3.593,359 2.597,360 3.229,361 0.68,362 8.46,363 2.578,364 3.621,365 2.548,366 5.638,367 3.456,368 2.456,369 2.936,370 0.473,371 7.361,372 2.452,373 3.591,374 2.537,375 5.281,376 3.232,377 2.278,378 2.75,380 6.715,381 2.174,382 3.398,383 2.364,384 5.208,385 3.03,386 2.073,387 2.662,389 6.223,390 1.974,391 3.362,392 2.178,393 4.921,394 2.939,395 1.999,396 2.602,398 5.65,399 1.868,400 3.095,401 2.082,402 4.705,403 2.73,404 1.736,405 2.259,407 4.781,408 1.723,409 2.959,410 1.958,411 4.316,412 2.577,413 1.586,414 2.053,415 3.948,416 1.567,417 2.823,418 1.772,419 4.145,420 2.353,421 1.422,422 1.952,423 3.671,424 1.321,425 2.762,426 1.53,427 3.808,428 2.313,429 1.326,430 1.787,431 2.982,432 1.306,433 2.437,434 1.422,435 3.641,436 2.103,437 1.13,438 1.304,439 2.592,440 1.1,441 2.358,442 1.131,443 3.583,444 1.97,445 1.057,446 1.256,448 2.399,449 0.948,450 2.021,451 0.996,452 3.197,453 1.63,454 0.662,455 0.851,457 1.572,458 0.639,459 17.9,460 0.471,461 0.866,462 0.023,463 49,464 1.289,465 24.5,466 0.645,467 24.5,468 0.645,469 36.434,470 0.959,471 40.9,472 0.584,473 42.621,474 1.122,475 9.571,476 0.252,477 8.907,478 0.234,479 0.119,481 0.358,485 0.84,486 1.205,487 0.81,488 1.07,489 0.799,490 0.95,491 0.93,492 0.981,493 0.859,494 0.953,495 0.606,496 0.914,497 0.797,498 1.187,499 0.927,500 1.108,501 0.728,502 1.045,503 1.059,504 1.011,505 0.963,506 0.995,507 0.99,508 0.963,509 1.365,510 1.033,511 1.137,512 1.039,513 1.253,514 1.052,515 1.09,516 1.071,517 1.114,518 1.148,519 1.516,520 1.141,521 0.76,522 0.981,523 0.828,524 0.999,525 1.122,526 0.95,527 1.247,528 0.94,529 0.963,530 0.9,531 1.404,532 0.897,533 7,534 0.318,535 4.444,536 2.965,537 2.634,538 1.264,539 1.018,540 0.668,541 0.478,542 0.478,543 22481,544 56327,545 2.097,546 45.7,547 10,548 15,550 2,551 4,553 1,555 1.791,556 1.966,557 3.648,558 1.449,564 107.904,565 1.541,566 3.864,567 5.029,568 5.479,569 5.536,570 5.622,571 3.06,572 4.827,573 5.223,574 3.849,575 2705.63,576 9.22,577 44595.8,582 429.05,583 1.402,584 5.18,585 0.167,586 0.006,587 0.075,588 0.046,589 0.041,590 0.02,591 0.018,592 0.012,593 0.009,594 0.009,595 0.403,597 0.75,598 0.747,599 209.847,600 -0.023,601 0.001,602 0.049,603 0.003,604 -0.067,605 0.034,606 0.05,607 0.118,608 0.064,609 0.087,610 0.107,611 0.071,612 0.07,613 -0.125,614 0.005,615 -0.084,616 0.075,617 -0.053,618 -0.067,619 0.02,620 0.006,621 -0.003,622 -0.005,623 0.014,624 -0.213,625 -0.012,626 -0.161,627 -0.04,628 -0.137,629 -0.082,630 -0.03,631 -0.089,632 -0.139,633 -0.137,634 -0.116,635 -0.15,636 0.256,637 -0.08,638 0.178,639 0.006,640 0.134,641 0.064,642 0.017,643 0.025,644 0.057,645 0.071,646 -0.057,647 0.068,648 1.852,649 6.563,650 0.711,651 40.188,652 1.001,653 1.129,654 3.862,655 14.916,656 0.661,657 3.761,658 4.094,659 4.407,660 4.7,661 4.927,662 5.011,663 5.142,664 5.236,665 5.338,666 5.375,667 7.878,668 0.63,669 512.67,670 3.761,671 5.313,672 6.18,673 7.071,674 7.955,675 8.85,676 9.741,677 10.638,678 11.532,679 12.43,680 8.6,684 2,687 1,689 1,690 2,695 7,696 2,700 9,702 18,711 2,716 2,718 70,719 21,720 2,721 42,723 74,724 29,725 16,726 6,727 6,728 4,729 5,730 6,732 1,736 5,737 1,739 6,741 20,742 9,743 1,744 3,748 1,749 3,750 1,751 1,757 32,758 9,759 4,760 9,764 6,769 0.8,770 3,776 1,780 1,781 4,785 1,795 2,802 4,806 2,810 38,811 2,816 5,818 2,820 2,821 1,829 4.3,832 1,834 2,836 19.333,837 12.967,838 8.472,839 4.121,840 4.384,841 1.522,842 0.985,843 7.845,844 12.776,845 4.007,846 4.58,847 5.155,848 5.703,849 6.236,850 6.458,851 6.815,852 7.159,853 7.547,854 7.809,855 0.889,856 64,857 14.059,859 6.007,860 7.706,861 26.932,863 22.355,865 2.206,866 83.833,870 329.591,871 163.69,872 119.03,874 47.145,877 163.69,878 376.736,879 119.03,880 21.766,881 15.674,882 141.604,883 96.01,884 74.125,885 4.227,886 306.049,888 329.591,889 282.72,890 47.145,893 317.82,894 58.916,897 43.284,898 177.865,899 61.571,901 329.591,902 166.175,903 163.69,906 329.591,907 48.019,908 118.673,910 163.173,911 329.591,912 166.175,913 163.69,915 0.578,916 0.354,917 0.202,918 0.109,919 28,920 13,921 0.095,922 7,923 1,924 1.074,925 4.671,926 383.854,927 0.074,928 27,929 195.421,933 26.052,934 11.442,935 5.513,937 166.175,938 13.616,939 8.101,943 6.066,945 65.794,946 659.456,947 54,951 13.563,952 5.072,953 4.589,954 -0.185,956 70.08,957 79.016,958 0.251,959 0.63,960 0.82,961 0.894,962 0.903,963 0.917,964 5.26,965 1.999,966 6.168,967 6.223,968 4.779,969 5.268,970 2.037,971 7.006,972 4.717,973 6.458,974 1.736,975 7.742,976 5.65,977 4.369,978 5.027,980 7.968,981 4.285,982 7.763,983 1.586,984 9.418,985 4.781,986 6.395,987 7.413,988 1.864,989 11.097,990 6.282,991 9.102,992 1.422,993 11.155,994 3.948,995 6.825,996 7.983,998 12.909,999 6.685,1000 10.473,1001 1.326,1002 12.931,1003 3.671,1004 8.3,1005 9.84,1006 1.797,1007 15.565,1008 8.138,1009 11.865,1010 1.13,1011 14.735,1012 2.982,1013 9.116,1014 10.797,1016 17.736,1017 8.924,1018 13.274,1019 1.057,1020 16.56,1021 2.592,1022 10.381,1023 12.425,1024 1.795,1025 20.24,1026 10.167,1027 3.265,1028 0.662,1029 18.401,1030 2.399,1031 11.377,1032 13.584,1034 22.567,1035 11.134,1036 3.076,1037 11.832,1038 20.254,1039 1.572,1040 12.562,1041 15.1,1042 1.838,1043 25.026,1044 12.297,1045 2.856,1046 10.291,1047 22.118,1048 4.134,1049 13.642,1050 16.366,1052 27.422,1053 13.349,1054 2.597,1055 8.843,1056 23.99,1057 3.957,1058 14.801,1059 17.825,1060 1.912,1061 29.872,1062 14.485,1063 2.456,1064 8.46,1065 25.87,1066 3.877,1067 15.921,1068 19.15,1070 32.3,1071 15.579,1072 2.278,1073 7.361,1074 27.757,1075 3.229,1076 17.073,1077 20.579,1078 2.007,1079 34.75,1080 16.709,1081 2.073,1082 6.715,1083 29.649,1084 2.936,1085 18.213,1086 21.936,1088 37.195,1089 17.823,1090 21117,1091 33625,1092 28.145,1093 46.296,1094 63.216,1095 64.363,1096 65.058,1097 62.466,1098 62.513,1099 79.248,1100 7.907,1101 181.854,1102 60.423,1103 5.432,1104 5.717,1105 6.652,1106 5.312,1107 5.265,1108 7.134,1109 2.162,1110 19.202,1111 5.193,1112 18.848,1113 1.505,1114 1.532,1115 1.549,1116 1.487,1117 1.488,1118 1.887,1119 0.188,1120 4.33,1121 1.439,1122 4.061,1123 4.096,1124 4.007,1125 3.974,1126 7.429,1127 3.976,1128 3.978,1129 4.006,1130 3.931,1131 3.905,1132 5.291,1133 3.907,1134 3.826,1135 3.869,1136 3.792,1137 3.712,1138 4.98,1139 3.696,1140 3.802,1141 3.852,1142 3.674,1143 3.67,1144 4.926,1145 3.693,1146 3.584,1147 3.617,1148 3.528,1149 3.416,1150 4.849,1151 3.436,1152 3.319,1153 3.381,1154 3.212,1155 3.145,1156 4.501,1157 3.153,1158 3.307,1159 3.365,1160 3.186,1161 3.07,1162 4.461,1163 3.091,1164 3.223,1165 3.294,1166 3.033,1167 2.943,1168 4.446,1169 2.944,1170 0.106,1171 0.089,1172 0.166,1173 0.101,1174 0.078,1175 4.465,1176 0.098,1177 3.717,1178 0.026,1179 6.968,1180 0.282,1181 4.243,1182 0.076,1183 3.265,1184 4.134,1185 1.081,1186 11.832,1187 3.193,1188 1.98,1189 1.955,1190 2.077,1191 2.085,1192 1.382,1193 2.082,1194 1.95,1195 1.931,1196 2.037,1197 2.051,1198 1.23,1199 2.045,1200 1.751,1201 1.71,1202 1.86,1203 1.933,1204 1.211,1205 1.906,1206 1.619,1207 1.572,1208 1.839,1209 1.764,1210 1.071,1211 1.793,1212 1.577,1213 1.507,1214 1.823,1215 1.751,1216 0.922,1217 1.783,1218 1.481,1219 1.446,1220 1.638,1221 1.665,1222 0.659,1223 1.659,1224 1.249,1225 1.188,1226 1.575,1227 1.539,1228 0.574,1229 1.549,1230 1.226,1231 1.163,1232 1.558,1233 1.521,1234 0.57,1235 1.534,1236 4.443,1238 5.771,1239 2.398,1240 7.302,1241 4.443,1242 8.931,1243 6.293,1244 10.613,1246 3.15,1250 11.689,1252 4.995,1254 11.233,1256 0.309,1257 1.634,1262 44.121,1263 107.904,1264 270.507,1265 352.03,1266 383.54,1267 387.54,1268 393.54,1269 73.68,1270 8.392,1271 128.95,1272 128.95,1273 29,1274 12.954,1275 4.459,1276 3.7,1277 58.92,1278 182,1279 190,1280 0.155,1281 269.607,1282 476.45,1283 649.601,1284 60121,1286 26.648,1287 0.701,1288 0.569,1289 26.648,1290 21.632,1291 18.478,1292 0.44,1293 0.303,1294 12.555,1295 17.747,1296 12.236,1297 10.181,1298 18.478,1299 12.741,1300 16.355,1301 0.277,1302 0.163,1303 16.355,1304 9.615,1305 14.219,1306 0.176,1307 0.09,1308 14.219,1309 7.256,1310 12.268,1311 0.113,1312 0.05,1313 12.268,1314 5.453,1315 9.811,1316 0.072,1317 0.026,1318 9.811,1319 3.561,1320 0.245,1321 116.107,1322 0.188,1323 34.207,1324 0.426,1325 202,1326 568.412,1327 220.49,1328 549.907,1329 758.67,1330 516,1331 241,1332 565.865,1333 260.407,1334 576.1,1335 841.11,1336 539,1337 4.602}
{0 CHEMBL56170,1 1.603,2 10.607,3 3.726,4 13.885,5 113.103,6 7.57,7 0.6,8 4.007,9 4.143,10 3.575,11 3.515,12 5.221,13 3.503,14 4.487,15 4.669,16 3.92,17 3.891,18 5.747,19 3.858,20 4.705,21 4.9,22 4.023,23 4.057,24 5.8,25 4.01,26 4.854,27 5.059,28 4.087,29 4.117,30 6.016,31 4.06,32 4.958,33 5.178,34 4.037,35 4.147,36 6.126,37 4.077,38 5.015,39 5.275,40 3.905,41 4.062,42 6.131,43 3.965,44 4.774,45 5.018,46 3.911,47 3.86,48 6.101,49 3.802,50 4.634,51 4.851,52 3.68,53 3.676,54 5.934,55 3.641,56 0.157,57 0.782,58 10.002,59 3.958,60 14.264,61 5.482,62 0.316,63 1.179,64 17.804,65 6.879,66 51.184,67 9.527,68 0.213,69 1.429,70 22.405,71 8.211,72 28.156,73 11.707,74 0.38,75 1.571,76 27.031,77 9.442,78 46.594,79 13.537,80 0.408,81 1.67,82 30.852,83 9.585,84 63.906,85 13.925,86 0.654,87 1.557,88 36.299,89 10.979,90 106.623,91 15.775,92 0.609,93 1.266,94 27.486,95 8.511,96 86.607,97 12.526,98 0.481,99 1.056,100 24.073,101 6.73,102 78.736,103 9.116,104 41,105 42,106 0.268,107 0.612,108 0.763,109 0.843,110 0.852,111 0.852,112 3.375,113 0.886,114 -5.05,115 -4.95,116 -4.64,119 40,120 1,121 1,124 1,125 1,139 8,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 11,169 2,170 6,172 3,173 3,175 1,178 11,180 1,181 1,182 11,187 1,189 7,191 1,192 2,193 14,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,207 10,212 4,215 7,218 4,220 2,221 5,223 1,224 1,226 2,229 8,231 2,233 6,234 10,236 3,237 3,239 1,241 8,243 1,246 8,248 1,249 1,254 6,260 4,262 3,263 3,265 1,268 4,270 1,273 1198,274 18.577,275 18.577,276 18.577,277 18.577,278 18.577,279 16.056,280 23.098,281 10.881,282 18.906,283 14.728,284 14.728,285 14.728,286 14.728,287 14.728,288 10.943,289 31.464,290 5.055,291 15.262,292 4.041,293 1.984,294 1.085,295 0.605,296 0.55,297 0.55,298 4.052,301 1,302 1,303 624,304 3.464,307 298.277,314 1.849,315 30.925,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 61,327 297,328 4.569,329 3.815,330 6.788,331 4.178,332 3.202,333 4.305,334 2.612,335 11.139,336 3.126,337 4.375,338 3.236,339 6.588,340 3.971,341 3.014,342 4.041,343 0.916,344 10.369,345 2.885,346 3.924,347 3.098,348 5.594,349 3.545,350 2.562,351 3.455,352 0.172,353 7.431,354 2.521,355 3.709,356 2.63,357 5.325,358 3.241,359 2.299,360 3.177,362 6.725,363 2.163,364 3.601,365 2.393,366 5.212,367 3.125,368 2.17,369 2.931,371 6.137,372 2.068,373 3.303,374 2.228,375 5.038,376 2.935,377 1.987,378 2.551,380 5.703,381 1.879,382 3.19,383 2.004,384 4.773,385 2.753,386 1.802,387 2.42,389 5.008,390 1.706,391 2.92,392 1.674,393 4.117,394 2.484,395 1.492,396 2.087,398 3.467,399 1.479,400 2.626,401 1.459,402 3.618,403 2.123,404 1.156,405 1.608,407 2.781,408 1.114,409 2.5,410 1.187,411 3.533,412 2,413 1,414 1.5,415 2.422,416 1,417 2.457,418 1,419 3.317,420 2,421 1,422 1.446,423 2.136,424 1,425 1.712,426 1,427 3.247,428 1.522,429 0.54,430 0.611,431 1.026,432 0.53,433 1.322,434 0.653,435 2.767,436 1.012,437 0.061,438 0.074,439 0.133,440 0.058,441 1.067,442 0.201,443 2.668,444 0.773,445 -0.196,446 -0.232,448 -0.481,449 -0.189,450 1,451 0.067,452 2.417,453 0.452,454 -0.475,455 -0.586,457 -1.144,458 -0.435,459 13.067,460 0.467,461 0.771,462 0.028,463 40.5,464 1.446,465 22.5,466 0.804,467 18,468 0.643,469 20.714,470 0.74,471 30.133,472 0.603,473 32.689,474 1.167,475 8.026,476 0.287,477 5.375,478 0.192,479 0.189,481 0.367,485 0.603,486 1.229,487 0.789,488 0.984,489 0.696,490 0.92,491 0.505,492 0.954,493 0.727,494 0.918,495 0.34,496 0.866,497 0.749,498 1.198,499 0.888,500 1.088,501 0.569,502 1.014,503 0.791,504 1.22,505 0.945,506 1.163,507 0.754,508 1.095,509 1.195,510 1.162,511 1.198,512 1.17,513 1.067,514 1.166,515 1.303,516 0.849,517 1.036,518 0.902,519 1.518,520 0.934,521 0.729,522 0.894,523 0.78,524 0.97,525 0.821,526 0.902,527 1.994,528 1.014,529 1.193,530 0.978,531 2.181,532 0.975,533 6,534 0.083,535 3.111,536 2.75,537 2.009,538 1.208,539 0.892,540 0.564,541 0.34,542 0.222,543 8824,544 25281,545 1.993,546 44,547 3,548 13,551 4,552 2,555 1.714,556 1.826,557 3.35,558 1.698,560 1,564 80.137,565 1.603,566 3.659,567 4.559,568 5.039,569 5.094,570 5.094,571 2.914,572 4.253,573 4.777,574 3.524,575 1332.24,576 8.329,577 17232.5,579 1,581 1,582 282.193,583 1.531,584 4.714,585 0.2,586 0.005,587 0.074,588 0.06,589 0.043,590 0.028,591 0.024,592 0.015,593 0.012,594 0.011,595 0.472,597 1,598 0.92,599 139.285,600 0.124,601 0.012,602 0.031,603 0.069,604 -0.088,605 0.039,606 0.25,607 0.174,608 0.153,609 0.123,610 0.285,611 0.121,612 -0.038,613 -0.094,615 -0.059,616 -0.006,617 -0.026,618 0.077,619 -0.167,620 -0.02,621 -0.155,622 0.046,623 -0.116,624 -0.212,625 -0.115,626 -0.245,627 -0.206,628 -0.122,629 -0.217,630 -0.115,631 0.039,632 0.003,633 0.064,634 -0.199,635 0.05,636 0.405,637 0.045,638 0.241,639 -0.01,640 0.334,641 0.071,642 -0.319,643 -0.093,644 -0.133,645 -0.041,646 -0.244,647 -0.057,648 2.389,649 4.752,650 0.643,651 25.587,652 1.007,653 1.135,654 3.824,655 14.624,656 0.661,657 3.434,658 3.761,659 4.025,660 4.304,661 4.5,662 4.533,663 4.654,664 4.718,665 4.762,666 4.745,667 6.276,668 0.635,669 378.48,670 3.434,671 4.977,672 5.826,673 6.713,674 7.582,675 8.474,676 9.352,677 10.247,678 11.129,679 12.026,680 12,684 2,686 1,690 2,691 1,695 8,696 2,700 8,702 18,711 2,713 1,714 1,718 50,719 20,720 2,721 30,723 52,724 20,725 16,726 4,727 8,729 3,730 3,734 1,739 1,741 16,742 4,744 2,746 1,748 2,754 1,757 22,758 7,759 4,760 8,764 6,769 1,770 2,776 1,781 3,802 3,806 2,810 28,811 2,816 2,821 1,829 4,835 2,836 15.333,837 9.467,838 6.25,839 2.889,840 3.185,841 1.442,842 0.978,843 5.879,844 10.385,845 3.738,846 4.363,847 4.922,848 5.508,849 6.043,850 6.269,851 6.671,852 6.996,853 7.371,854 7.628,855 1,856 46,857 10.31,859 4.343,860 7.94,861 19.226,863 15.299,865 2.44,866 68.333,868 1,869 1,870 211.88,871 119.726,872 108.16,874 50.747,877 119.726,878 262.627,879 108.16,880 22.892,881 4.64,882 141.604,883 33.571,884 20.951,885 4.227,886 211.88,887 50.747,888 211.88,889 227.886,890 50.747,893 211.88,895 50.747,897 18.121,898 170.523,899 39.241,901 211.88,902 158.907,903 119.726,906 211.88,907 26.694,908 101.826,910 150.112,911 211.88,912 158.907,913 119.726,915 0.581,916 0.344,917 0.195,918 0.106,919 19,920 10,921 0.115,922 6,924 1,925 3.787,926 242.187,928 18,929 128.606,933 19.74,934 8.339,935 4.299,937 153.237,938 14.827,939 8.234,943 3.711,945 65.794,946 490.512,947 41,949 -0.389,951 23.504,956 50.334,957 56.73,958 0.284,959 0.648,960 0.808,961 0.893,962 0.903,963 0.903,964 4.966,965 1.492,966 5.826,967 5.008,968 4.443,969 5.05,970 2.618,971 6.658,972 4.374,973 6.194,974 1.156,975 7.402,976 3.467,977 4.111,978 4.934,979 2.396,980 7.624,981 3.993,982 7.513,983 1,984 9.079,985 2.781,986 6.052,987 7.273,988 4.169,989 10.741,990 5.918,991 8.868,992 1,993 10.816,994 2.422,995 6.509,996 7.931,997 4.512,998 12.54,999 6.332,1000 10.252,1001 0.54,1002 12.592,1003 2.136,1004 7.955,1005 9.775,1006 5.95,1007 15.189,1008 7.762,1009 11.658,1010 0.061,1011 14.395,1012 1.026,1013 8.779,1014 10.805,1015 6.557,1016 17.338,1017 8.549,1018 13.081,1019 -0.196,1020 16.219,1021 0.133,1022 10.032,1023 12.437,1024 7.794,1025 19.822,1026 9.783,1027 3.202,1028 -0.475,1029 18.059,1030 -0.481,1031 11.029,1032 13.66,1033 8.548,1034 22.115,1035 10.748,1036 3.014,1037 11.139,1038 19.911,1039 -1.144,1040 12.208,1041 15.191,1042 9.67,1043 24.539,1044 11.905,1045 2.562,1046 10.369,1047 21.774,1048 4.305,1049 13.285,1050 16.516,1051 10.509,1052 26.891,1053 12.952,1054 2.299,1055 7.431,1056 23.644,1057 4.041,1058 14.437,1059 18,1060 11.563,1061 29.294,1062 14.081,1063 2.17,1064 6.725,1065 25.521,1066 3.455,1067 15.551,1068 19.38,1069 12.452,1070 31.669,1071 15.166,1072 1.987,1073 6.137,1074 27.404,1075 3.177,1076 16.696,1077 20.841,1078 13.468,1079 34.065,1080 16.287,1081 1.802,1082 5.703,1083 29.29,1084 2.931,1085 17.827,1086 22.251,1087 14.386,1088 36.452,1089 17.391,1090 8727,1091 14940,1092 19.304,1093 33.034,1094 44.974,1095 46.027,1096 47.099,1097 44.644,1098 44.572,1099 60.41,1100 7.402,1101 128.954,1102 43.06,1103 5.401,1104 5.815,1105 6.59,1106 5.248,1107 5.202,1108 7.305,1109 4.612,1110 18.155,1111 5.126,1112 16.459,1113 1.499,1114 1.534,1115 1.57,1116 1.488,1117 1.486,1118 2.014,1119 0.247,1120 4.298,1121 1.435,1122 4.066,1123 4.098,1124 4.035,1125 3.959,1126 7.815,1127 3.97,1128 3.902,1129 3.939,1130 3.838,1131 3.837,1132 6.999,1133 3.831,1134 3.825,1135 3.869,1136 3.791,1137 3.643,1138 5.285,1139 3.668,1140 3.488,1141 3.534,1142 3.444,1143 3.218,1144 4.98,1145 3.21,1146 3.4,1147 3.488,1148 3.251,1149 3.169,1150 4.768,1151 3.179,1152 3.367,1153 3.437,1154 3.204,1155 3.03,1156 4.664,1157 3.124,1158 3.073,1159 3.193,1160 2.939,1161 2.832,1162 4.411,1163 2.837,1164 2.963,1165 3.054,1166 2.763,1167 2.763,1168 4.096,1169 2.757,1170 0.152,1171 0.127,1172 0.226,1173 0.139,1174 0.107,1175 4.569,1176 0.144,1177 3.815,1178 0.087,1179 6.788,1180 0.371,1181 4.178,1182 0.104,1183 3.202,1184 4.305,1185 2.612,1186 11.139,1187 3.126,1188 1.988,1189 1.963,1190 2.072,1191 2.127,1192 1.232,1193 2.101,1194 1.902,1195 1.873,1196 2.019,1197 1.999,1198 1.151,1199 2.008,1200 1.734,1201 1.69,1202 1.878,1203 1.947,1204 1.026,1205 1.912,1206 1.4,1207 1.317,1208 1.677,1209 1.686,1210 0.782,1211 1.663,1212 1.352,1213 1.269,1214 1.597,1215 1.637,1216 0.581,1217 1.64,1218 1.186,1219 1.152,1220 1.36,1221 1.56,1222 0.5,1223 1.518,1224 1.004,1225 0.923,1226 1.285,1227 1.36,1228 0.218,1229 1.345,1230 0.973,1231 0.874,1232 1.256,1233 1.222,1234 0.213,1235 1.275,1236 4.111,1238 5.434,1240 6.957,1242 8.577,1244 10.248,1246 3.744,1250 11.725,1252 1.129,1257 1.848,1262 31.772,1263 80.137,1264 182.974,1265 227.928,1266 251.928,1267 254.683,1268 254.683,1269 58.993,1270 7.2,1271 126.88,1272 126.88,1273 18,1274 12.553,1275 4.392,1276 3.585,1277 49.506,1278 105,1279 110,1280 0.234,1281 199.921,1282 341.96,1283 479.568,1284 11794,1286 20.259,1287 0.724,1288 0.564,1289 20.259,1290 15.793,1291 13.401,1292 0.447,1293 0.295,1294 8.735,1295 12.849,1296 8.473,1297 7.111,1298 13.401,1299 8.861,1300 12.161,1301 0.29,1302 0.153,1303 12.161,1304 6.445,1305 9.762,1306 0.177,1307 0.082,1308 9.762,1309 4.499,1310 8.524,1311 0.117,1312 0.044,1313 8.524,1314 3.207,1315 6.685,1316 0.075,1317 0.023,1318 6.685,1319 2.082,1320 0.361,1321 84.359,1322 0.228,1323 26.48,1324 0.66,1325 144,1326 440.676,1327 158.641,1328 433.999,1329 587.68,1330 400,1331 169,1332 443.154,1333 183.506,1334 447.489,1335 646.3,1336 418,1337 8.046}
{0 CHEMBL562228,1 1.545,2 13.27,3 4.654,4 21.662,5 148.647,6 7.256,7 0.45,8 4.32,9 4.447,10 3.856,11 3.826,12 5.46,13 3.81,14 4.834,15 5.013,16 4.19,17 4.2,18 5.91,19 4.16,20 5.057,21 5.252,22 4.329,23 4.377,24 6.119,25 4.323,26 5.194,27 5.406,28 4.327,29 4.439,30 6.249,31 4.367,32 5.265,33 5.483,34 4.289,35 4.461,36 6.293,37 4.375,38 5.257,39 5.487,40 4.268,41 4.437,42 6.307,43 4.341,44 5.246,45 5.488,46 4.288,47 4.387,48 6.321,49 4.295,50 5.17,51 5.389,52 4.206,53 4.315,54 6.27,55 4.238,56 0.068,57 1.023,58 14.612,59 6.083,60 14.834,61 8.141,62 0.357,63 1.567,64 26.884,65 10.17,66 36.973,67 13.804,68 0.381,69 1.92,70 33.911,71 12.282,72 48.14,73 17.377,74 0.403,75 2.108,76 39.93,77 14.003,78 61.974,79 19.673,80 0.526,81 2.161,82 44.008,83 15.009,84 71.696,85 20.922,86 0.579,87 2.129,88 43.865,89 15.063,90 76.168,91 21.437,92 0.69,93 2.034,94 44.205,95 15.298,96 85.779,97 21.986,98 0.694,99 1.911,100 40.727,101 13.171,102 91.14,103 18.455,104 48,105 55,106 0.242,107 0.604,108 0.799,109 0.873,110 0.882,111 0.896,112 3.642,113 0.915,114 -4.9,115 -4.8,116 -4.51,119 40.6,120 1,121 4,124 2,127 1,134 2,139 6,140 5,141 2,142 1,144 1,147 1,151 1,153 1,157 2,158 2,159 2,160 1,166 16,169 2,170 9,172 3,173 3,175 1,178 16,180 1,181 2,182 16,187 1,189 13,191 1,193 18,195 1,196 1,197 1,198 2,200 2,201 11,204 2,205 1,207 17,212 3,215 14,218 3,220 2,221 10,226 2,229 14,231 2,233 5,234 9,236 1,237 1,239 3,241 13,243 3,245 3,246 8,248 1,249 1,251 2,254 11,256 2,260 6,262 1,263 1,265 1,268 12,270 1,273 2688,274 25.248,275 25.248,276 25.248,277 25.248,278 25.248,279 22.602,280 29.53,281 14.962,282 25.832,283 19.572,284 19.572,285 19.572,286 19.572,287 19.572,288 15.37,289 40.027,290 6.845,291 20.321,292 4.563,293 2.251,294 1.004,295 0.526,296 0.468,297 0.381,298 4.336,302 1,303 1045,304 4.062,307 474.223,311 184.919,314 1.953,315 36.031,318 0.75,319 0.67,320 0.67,321 0.9,322 0.5,323 0.83,324 1,325 0.76,326 80,327 491,328 4.448,329 3.695,330 6.787,331 4.162,332 3.185,333 4.134,334 1.081,335 11.153,336 3.111,337 4.411,338 3.327,339 6.528,340 4.041,341 3.075,342 3.944,343 0.86,344 10.29,345 2.974,346 4.23,347 3.175,348 6.088,349 3.813,350 2.856,351 3.877,352 0.86,353 8.843,354 2.736,355 3.919,356 3.071,357 6.007,358 3.586,359 2.591,360 3.218,361 0.68,362 8.429,363 2.568,364 3.601,365 2.537,366 5.281,367 3.234,368 2.279,369 2.935,370 0.473,371 6.715,372 2.177,373 3.435,374 2.366,375 5.222,376 3.08,377 2.109,378 2.689,380 6.265,381 2.048,382 3.362,383 2.31,384 5.095,385 2.957,386 1.999,387 2.66,389 5.759,390 1.925,391 3.238,392 2.177,393 4.921,394 2.939,395 1.974,396 2.369,398 5.65,399 1.868,400 3.09,401 2.05,402 4.329,403 2.58,404 1.59,405 2.257,407 3.988,408 1.57,409 2.823,410 1.772,411 4.146,412 2.463,413 1.465,414 1.952,415 3.672,416 1.462,417 2.768,418 1.531,419 3.851,420 2.353,421 1.422,422 1.814,423 3.065,424 1.321,425 2.592,426 1.517,427 3.718,428 2.312,429 1.326,430 1.587,431 2.936,432 1.305,433 2.435,434 1.42,435 3.613,436 1.984,437 1.091,438 1.26,439 2.434,440 0.96,441 2.257,442 1.04,443 3.288,444 1.882,445 0.898,446 1.167,448 1.96,449 0.882,450 2.005,451 0.995,452 3.109,453 1.487,454 0.508,455 0.726,457 1.128,458 0.494,459 17.4,460 0.47,461 0.815,462 0.022,463 48,464 1.297,465 24.5,466 0.662,467 23.5,468 0.635,469 34.559,470 0.934,471 40.2,472 0.583,473 42.095,474 1.138,475 9.576,476 0.259,477 8.367,478 0.226,479 0.151,481 0.339,485 0.851,486 1.245,487 0.828,488 1.105,489 0.828,490 0.979,491 0.955,492 0.977,493 0.839,494 0.932,495 0.631,496 0.888,497 0.846,498 1.149,499 0.892,500 1.046,501 0.777,502 0.981,503 1.08,504 1.069,505 1.032,506 1.088,507 1.038,508 1.054,509 1.341,510 1.047,511 1.122,512 1.049,513 1.255,514 1.058,515 1.032,516 1.032,517 1.035,518 1.065,519 1.286,520 1.053,521 0.774,522 0.997,523 0.817,524 1,525 1.064,526 0.938,527 1.371,528 1.031,529 1.098,530 1.019,531 1.71,532 1.029,533 7,534 0.318,535 4.444,536 2.938,537 2.524,538 1.257,539 1.057,540 0.715,541 0.505,542 0.439,543 20262,544 52556,545 2.039,546 46.4,547 9,548 15,550 2,551 4,553 2,555 1.785,556 1.897,557 3.678,558 1.471,564 106.618,565 1.545,566 3.858,567 5.104,568 5.583,569 5.641,570 5.728,571 3.098,572 4.939,573 5.183,574 3.861,575 2571.36,576 9.141,577 42048.7,582 421.488,583 1.446,584 5.134,585 0.175,586 0.007,587 0.081,588 0.047,589 0.042,590 0.022,591 0.019,592 0.013,593 0.01,594 0.009,595 0.425,597 0.88,598 1.142,599 203.41,600 -0.023,601 -0.022,602 0.043,603 -0.018,604 -0.091,605 0.019,606 0.059,607 0.122,608 0.099,609 0.107,610 0.102,611 0.1,612 0.065,613 -0.065,614 0.045,615 -0.018,616 0.06,617 0.01,618 -0.083,619 -0.022,620 -0.072,621 -0.082,622 -0.027,623 -0.073,624 -0.194,625 -0.051,626 -0.137,627 -0.047,628 -0.131,629 -0.078,630 -0.003,631 -0.046,632 -0.055,633 -0.064,634 -0.054,635 -0.063,636 0.257,637 -0.062,638 0.177,639 0.005,640 0.166,641 0.065,642 -0.046,643 -0.05,644 -0.085,645 -0.04,646 -0.161,647 -0.069,648 1.88,649 6.37,650 0.595,651 40.755,652 1.001,653 1.131,654 3.667,655 13.445,656 0.656,657 3.714,658 4.025,659 4.317,660 4.585,661 4.82,662 4.875,663 4.984,664 5.063,665 5.176,666 5.193,667 7.912,668 0.625,669 500.66,670 3.714,671 5.252,672 6.107,673 6.987,674 7.861,675 8.748,676 9.628,677 10.517,678 11.4,679 12.29,680 8.7,684 2,687 1,689 1,690 2,695 7,696 2,700 9,702 18,711 2,716 2,718 69,719 21,720 2,721 40,723 72,724 28,725 16,726 6,727 6,728 4,729 4,730 5,732 1,734 1,736 1,739 5,741 20,742 8,744 3,748 1,749 3,750 1,751 1,757 32,758 9,759 4,760 9,764 6,769 0.75,770 3,776 1,781 4,785 1,795 2,802 3,806 3,810 37,811 2,816 4,818 2,820 1,821 1,829 4.3,832 1,834 2,836 19.5,837 13.133,838 8.444,839 4.093,840 4.324,841 1.532,842 0.968,843 8.671,844 12.459,845 3.97,846 4.538,847 5.113,848 5.659,849 6.196,850 6.403,851 6.751,852 7.087,853 7.48,854 7.731,855 0.889,856 62,857 13.656,859 5.697,860 7.743,861 25.957,863 20.809,865 2.243,866 83,870 329.591,871 169.981,872 119.03,874 47.145,877 169.981,878 376.736,879 119.03,880 30.591,881 13.14,882 141.604,883 96.01,884 74.125,885 4.227,886 306.049,888 329.591,889 289.011,890 47.145,893 306.049,894 70.687,897 49.575,898 177.865,899 61.571,901 329.591,902 166.175,903 169.981,906 329.591,907 45.485,908 127.498,910 163.173,911 329.591,912 166.175,913 169.981,915 0.57,916 0.347,917 0.196,918 0.11,919 24,920 12,921 0.125,922 9,923 1,924 1.091,925 4.567,926 356.743,927 0.091,928 22,929 192.75,933 26.49,934 12.111,935 6.053,937 166.175,938 13.458,939 8.079,943 5.945,945 65.794,946 665.746,947 52,951 13.37,952 4.988,953 4.497,954 -0.213,956 69.08,957 78.016,958 0.253,959 0.632,960 0.836,961 0.914,962 0.923,963 0.938,964 5.207,965 1.974,966 6.089,967 5.759,968 4.71,969 5.226,970 2.037,971 6.913,972 4.643,973 6.406,974 1.59,975 7.657,976 5.65,977 4.29,978 4.987,980 7.854,981 4.198,982 7.709,983 1.465,984 9.326,985 3.988,986 6.312,987 7.384,988 1.864,989 10.964,990 6.189,991 9.048,992 1.422,993 11.056,994 3.672,995 6.723,996 7.952,998 12.733,999 6.569,1000 10.418,1001 1.326,1002 12.824,1003 3.065,1004 8.201,1005 9.819,1006 1.797,1007 15.364,1008 8.024,1009 11.81,1010 1.091,1011 14.619,1012 2.936,1013 8.999,1014 10.775,1016 17.478,1017 8.788,1018 13.219,1019 0.898,1020 16.433,1021 2.434,1022 10.262,1023 12.409,1024 1.795,1025 19.945,1026 10.03,1027 3.185,1028 0.508,1029 18.262,1030 1.96,1031 11.241,1032 13.567,1034 22.208,1035 10.977,1036 3.075,1037 11.153,1038 20.101,1039 1.128,1040 12.419,1041 15.086,1042 1.838,1043 24.619,1044 12.132,1045 2.856,1046 10.29,1047 21.95,1048 4.134,1049 13.482,1050 16.351,1052 26.949,1053 13.164,1054 2.591,1055 8.843,1056 23.806,1057 3.944,1058 14.628,1059 17.812,1060 1.912,1061 29.342,1062 14.286,1063 2.279,1064 8.429,1065 25.669,1066 3.877,1067 15.729,1068 19.136,1070 31.703,1071 15.359,1072 2.109,1073 6.715,1074 27.536,1075 3.218,1076 16.866,1077 20.565,1078 2.007,1079 34.092,1080 16.47,1081 1.999,1082 6.265,1083 29.409,1084 2.935,1085 17.985,1086 21.922,1088 36.47,1089 17.562,1090 19552,1091 31708,1092 26.353,1093 45.296,1094 59.542,1095 60.768,1096 62.009,1097 58.601,1098 58.654,1099 75.382,1100 7.907,1101 168.035,1102 56.563,1103 5.339,1104 5.695,1105 6.646,1106 5.232,1107 5.185,1108 7.134,1109 2.162,1110 18.522,1111 5.111,1112 20.485,1113 1.489,1114 1.519,1115 1.55,1116 1.465,1117 1.466,1118 1.885,1119 0.198,1120 4.201,1121 1.414,1122 4.043,1123 4.075,1124 3.995,1125 3.958,1126 7.429,1127 3.961,1128 3.97,1129 3.999,1130 3.923,1131 3.898,1132 5.291,1133 3.899,1134 3.825,1135 3.869,1136 3.792,1137 3.67,1138 4.98,1139 3.694,1140 3.668,1141 3.73,1142 3.56,1143 3.546,1144 4.926,1145 3.531,1146 3.574,1147 3.613,1148 3.453,1149 3.409,1150 4.849,1151 3.422,1152 3.329,1153 3.393,1154 3.215,1155 3.173,1156 4.501,1157 3.171,1158 3.316,1159 3.374,1160 3.187,1161 3.072,1162 4.461,1163 3.093,1164 3.228,1165 3.3,1166 3.033,1167 3.002,1168 4.445,1169 2.995,1170 0.111,1171 0.092,1172 0.17,1173 0.104,1174 0.08,1175 4.448,1176 0.103,1177 3.695,1178 0.027,1179 6.787,1180 0.279,1181 4.162,1182 0.078,1183 3.185,1184 4.134,1185 1.081,1186 11.153,1187 3.111,1188 1.98,1189 1.954,1190 2.088,1191 2.088,1192 1.368,1193 2.087,1194 1.95,1195 1.931,1196 2.038,1197 2.051,1198 1.23,1199 2.046,1200 1.751,1201 1.71,1202 1.943,1203 1.933,1204 1.134,1205 1.906,1206 1.687,1207 1.625,1208 1.835,1209 1.846,1210 0.923,1211 1.884,1212 1.512,1213 1.476,1214 1.672,1215 1.711,1216 0.832,1217 1.695,1218 1.32,1219 1.254,1220 1.6,1221 1.54,1222 0.637,1223 1.554,1224 1.247,1225 1.186,1226 1.574,1227 1.533,1228 0.574,1229 1.548,1230 1.182,1231 1.104,1232 1.55,1233 1.487,1234 0.562,1235 1.515,1236 4.394,1238 5.707,1240 7.228,1242 8.85,1244 10.525,1246 5.273,1250 11.659,1252 3.316,1254 11.182,1256 -0.116,1257 1.564,1262 43.121,1263 106.618,1264 266.191,1265 352.204,1266 385.224,1267 389.224,1268 395.224,1269 77.952,1270 8.134,1271 128.95,1272 128.95,1273 24,1274 12.82,1275 4.459,1276 3.7,1277 64.641,1278 176,1279 182,1280 0.175,1281 267.408,1282 471.51,1283 644.236,1284 43508,1286 26.363,1287 0.713,1288 0.577,1289 26.363,1290 21.348,1291 17.943,1292 0.449,1293 0.305,1294 12.021,1295 17.211,1296 11.662,1297 9.79,1298 17.943,1299 12.206,1300 15.54,1301 0.283,1302 0.16,1303 15.54,1304 8.784,1305 13.277,1306 0.179,1307 0.085,1308 13.277,1309 6.312,1310 11.216,1311 0.116,1312 0.046,1313 11.216,1314 4.461,1315 9.186,1316 0.075,1317 0.025,1318 9.186,1319 3.124,1320 0.277,1321 112.9,1322 0.195,1323 33.593,1324 0.478,1325 190,1326 556.412,1327 208.49,1328 537.828,1329 738.87,1330 504,1331 224,1332 548.865,1333 243.24,1334 558.735,1335 812.72,1336 522,1337 4.602}
{0 CHEMBL56311,1 1.622,2 8.591,3 3.134,4 9.824,5 94.28,6 7.996,7 0.522,8 3.783,9 3.937,10 3.393,11 3.255,12 4.985,13 3.241,14 4.247,15 4.462,16 3.745,17 3.603,18 5.393,19 3.566,20 4.41,21 4.616,22 3.865,23 3.736,24 5.574,25 3.694,26 4.462,27 4.68,28 3.822,29 3.74,30 5.628,31 3.683,32 4.491,33 4.703,34 3.759,35 3.755,36 5.634,37 3.689,38 4.61,39 4.872,40 3.746,41 3.772,42 5.66,43 3.641,44 4.53,45 4.812,46 3.622,47 3.586,48 5.583,49 3.42,50 4.133,51 4.4,52 3.205,53 3.227,54 5.164,55 3.077,56 0.109,57 0.63,58 7.887,59 2.941,60 12.527,61 4.245,62 0.255,63 0.887,64 15.188,65 4.965,66 22.846,67 7.258,68 0.278,69 1.005,70 19.231,71 5.09,72 29.103,73 7.814,74 0.313,75 1.032,76 21.036,77 5.699,78 37.097,79 8.683,80 0.298,81 1.075,82 18.797,83 5.221,84 35.329,85 8.261,86 0.343,87 1.005,88 24.914,89 7.369,90 43.709,91 11.078,92 0.512,93 0.767,94 32.115,95 7.143,96 56.268,97 10.711,98 0.321,99 0.554,100 19.777,101 4.656,102 30.234,103 6.79,104 43,105 32,106 0.29,107 0.668,108 0.787,109 0.826,110 0.826,111 0.826,112 3.147,113 0.927,114 -4.29,115 -4.23,116 -3.99,119 35,120 1,121 1,124 2,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 4,172 3,173 3,175 1,178 6,180 1,182 7,187 1,189 6,191 1,193 11,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,207 8,212 4,215 4,218 4,220 2,221 3,223 1,224 1,226 2,229 1,231 2,233 2,234 4,236 1,237 1,239 2,241 1,243 2,245 2,246 2,248 2,249 2,254 1,260 1,262 1,263 1,265 1,270 1,273 644,274 14.301,275 14.301,276 14.301,277 14.301,278 14.301,279 12.628,280 18.92,281 8.337,282 14.683,283 11.26,284 11.26,285 11.26,286 11.26,287 11.26,288 8.64,289 22.31,290 3.864,291 11.948,292 3.7,293 1.589,294 0.925,295 0.707,296 0.707,297 0.707,298 3.801,299 1,300 1,301 1,302 1,303 381,304 3.082,307 146.324,314 1.264,315 20.113,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 47.833,327 189,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.4,335 11.075,336 3.094,337 4.182,338 3.11,339 6.047,340 3.723,341 2.792,342 3.814,344 8.67,345 2.58,346 3.631,347 2.439,348 5.304,349 3.213,350 2.276,351 3.011,353 6.621,354 2.135,355 3.381,356 2.385,357 5.038,358 3.107,359 2.174,360 2.552,362 5.702,363 2.006,364 3.299,365 2.226,366 4.757,367 2.932,368 1.985,369 2.512,371 5.177,372 1.875,373 3.098,374 1.956,375 4.662,376 2.676,377 1.73,378 2.302,380 4.92,381 1.627,382 2.858,383 1.788,384 4.192,385 2.431,386 1.505,387 1.962,389 3.864,390 1.346,391 2.181,392 0.838,393 3.328,394 1.582,395 0.628,396 0.886,398 1.382,399 0.581,400 1.747,401 0.653,402 3.031,403 1.53,404 0.551,405 0.641,407 1.084,408 0.538,409 1.386,410 0.389,411 2.747,412 1.04,413 0.127,414 0.153,415 0.249,416 0.108,417 1.076,418 0.018,419 2.451,420 0.626,421 -0.25,422 -0.311,423 -0.616,424 -0.196,425 0.825,426 -0.305,427 2.276,428 0.437,429 -0.479,430 -0.587,431 -1.149,432 -0.437,433 0.669,434 -0.556,435 2.231,436 0.236,437 -0.723,438 -0.887,439 -1.91,440 -0.67,441 0.241,442 -0.6,443 1.892,444 0.016,445 -0.914,446 -1,448 -2,449 -0.813,451 -0.675,452 1.566,453 -0.1,454 -1,455 -1.047,457 -2.183,458 -0.9,459 10.514,460 0.478,461 0.668,462 0.03,463 29,464 1.318,465 15,466 0.682,467 14,468 0.636,469 17.029,470 0.774,471 24.286,472 0.607,473 21.231,474 0.965,475 5.729,476 0.26,477 4.689,478 0.213,479 0.287,481 0.371,485 0.832,486 1.311,487 0.666,488 0.979,489 1.108,490 0.929,491 0.676,492 0.896,493 0.58,494 0.714,495 0.431,496 0.701,497 1.2,498 1.225,499 0.934,500 0.933,501 1.054,502 0.905,503 1.004,504 1.209,505 0.954,506 1.059,507 0.892,508 0.996,509 1.195,510 1.324,511 0.936,512 1.131,513 1.379,514 1.186,515 0.855,516 1.042,517 0.87,518 1.02,519 0.989,520 1.065,521 0.938,522 0.849,523 1.41,524 1.178,525 0.924,526 1.05,527 1.177,528 0.859,529 1.501,530 1.173,531 1.166,532 1.139,533 5.5,534 0.058,535 2.667,536 2.063,537 1.498,538 0.958,539 0.608,540 0.314,541 0.271,542 0.096,543 4119,544 13024,545 1.919,546 45,547 3,548 9,551 4,552 2,555 1.65,556 1.737,557 3.088,558 1.959,559 1,560 1,562 1,564 64.864,565 1.622,566 3.733,567 4.396,568 4.615,569 4.615,570 4.615,571 2.504,572 4.096,573 4.428,574 3.223,575 744.484,576 7.636,577 8086.55,578 1,579 1,580 1,581 1,582 212.877,583 1.573,584 4.349,585 0.239,586 0.012,587 0.083,588 0.061,589 0.045,590 0.032,591 0.023,592 0.016,593 0.019,594 0.008,595 0.538,597 1,598 1.434,599 100.004,600 0.002,601 0.004,602 0.008,603 0.016,604 -0.223,605 0.014,606 0.199,607 0.239,608 0.207,609 0.268,610 0.308,611 0.266,612 -0.186,613 -0.085,614 -0.012,615 0.047,616 -0.128,617 0.04,618 -0.035,619 -0.114,620 -0.039,621 -0.075,622 0.07,623 -0.037,624 -0.263,625 -0.169,626 -0.202,627 -0.209,628 -0.317,629 -0.27,630 0.023,631 -0.086,632 0.044,633 -0.035,634 -0.035,635 -0.072,636 0.204,637 -0.05,638 0.013,639 -0.105,640 0.166,641 -0.011,642 0.006,643 0.017,644 -0.168,645 -0.145,646 -0.102,647 -0.145,648 1.5,649 2.04,650 0.545,651 16.661,652 1.008,653 1.148,654 3.062,655 9.373,656 0.662,657 3.178,658 3.497,659 3.714,660 3.97,661 4.174,662 4.22,663 4.22,664 4.205,665 4.19,666 3.989,667 5.206,668 0.628,669 319.84,670 3.178,671 4.71,672 5.541,673 6.422,674 7.28,675 8.167,676 9.036,677 9.926,678 10.801,679 11.693,680 17.5,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 40,719 13,720 1,721 23,723 41,724 14,725 10,726 3,727 3,729 2,730 2,731 1,734 1,739 1,741 10,742 4,744 1,750 2,753 1,754 1,757 18,758 7,759 4,760 8,761 1,764 7,769 1,776 1,781 2,802 2,806 3,807 1,810 22,811 2,816 1,821 1,828 1,836 12.667,837 8.06,838 4.944,839 2.252,840 2.655,841 1.409,842 0.953,843 5.163,844 9.148,845 3.434,846 4.043,847 4.62,848 5.204,849 5.753,850 6.039,851 6.356,852 6.672,853 6.97,854 7.122,855 0.833,856 34,857 8.02,859 3.227,860 7.831,861 14.991,863 11.435,865 2.331,866 51.278,869 1,870 164.795,871 76.193,872 135.571,873 39.149,877 76.193,878 203.944,879 135.571,880 25.618,881 5.536,882 94.223,883 33.571,884 15.385,885 37.431,886 164.795,887 39.149,888 164.795,889 211.764,891 39.149,893 164.795,897 19.017,898 125.972,899 105.923,901 164.795,902 135.571,903 115.342,906 164.795,907 22.147,908 57.048,910 171.718,911 164.795,912 135.571,913 115.342,915 0.58,916 0.329,917 0.179,918 0.103,919 14,920 8,921 0.098,922 4,924 1,925 3.234,926 166.557,928 12,929 96.107,933 16.461,934 6.9,935 3.855,937 135.571,938 5.4,939 8.281,943 3.902,945 65.794,946 415.708,947 30,953 8.068,956 40.338,957 45.923,958 0.305,959 0.701,960 0.826,961 0.867,962 0.867,963 0.867,964 4.663,965 0.628,966 5.549,967 3.864,968 4.174,969 4.727,970 0.278,971 6.365,972 4.063,973 5.893,974 0.551,975 7.119,976 1.382,977 3.892,978 4.62,980 7.314,981 3.696,982 7.208,983 0.127,984 8.787,985 1.084,986 5.771,987 6.944,988 0.05,989 10.402,990 5.577,991 8.558,992 -0.25,993 10.512,994 0.249,995 6.236,996 7.597,998 12.178,999 5.976,1000 9.938,1001 -0.479,1002 12.275,1003 -0.616,1004 7.652,1005 9.441,1006 0.008,1007 14.818,1008 7.391,1009 11.339,1010 -0.723,1011 14.065,1012 -1.149,1013 8.471,1014 10.471,1016 16.957,1017 8.166,1018 12.758,1019 -0.914,1020 15.876,1021 -1.91,1022 9.709,1023 12.102,1024 0.001,1025 19.438,1026 9.395,1027 3.171,1028 -1,1029 17.705,1030 -2,1031 10.699,1032 13.327,1034 21.73,1035 10.356,1036 2.792,1037 11.075,1038 19.547,1039 -2.183,1040 11.868,1041 14.856,1043 24.155,1044 11.512,1045 2.276,1046 8.67,1047 21.401,1048 4.257,1049 12.938,1050 16.181,1052 26.511,1053 12.56,1054 2.174,1055 6.621,1056 23.264,1057 3.814,1058 14.084,1059 17.661,1061 28.918,1062 13.69,1063 1.985,1064 5.702,1065 25.135,1066 3.011,1067 15.192,1068 19.038,1070 31.299,1071 14.778,1072 1.73,1073 5.177,1074 27.013,1075 2.552,1076 16.331,1077 20.495,1079 33.702,1080 15.901,1081 1.505,1082 4.92,1083 28.895,1084 2.512,1085 17.457,1086 21.9,1088 36.095,1089 17.009,1090 4319,1091 7805,1092 14.334,1093 26.466,1094 34.507,1095 34.434,1096 36.171,1097 34.066,1098 33.879,1099 44.178,1100 0.8,1101 97.49,1102 31.778,1103 5.217,1104 5.278,1105 6.292,1106 5.216,1107 5.171,1108 7.257,1109 0.8,1110 17.964,1111 5.094,1112 14.234,1113 1.5,1114 1.497,1115 1.573,1116 1.481,1117 1.473,1118 1.921,1119 0.035,1120 4.239,1121 1.382,1122 4.012,1123 4.046,1124 4.054,1125 3.934,1126 5.287,1127 3.938,1128 3.769,1129 3.821,1130 3.824,1131 3.628,1132 5.042,1133 3.643,1134 3.547,1135 3.647,1136 3.443,1137 3.251,1138 4.976,1139 3.273,1140 3.392,1141 3.485,1142 3.286,1143 3.191,1144 4.731,1145 3.184,1146 3.113,1147 3.219,1148 3.204,1149 2.895,1150 4.465,1151 2.911,1152 2.987,1153 3.08,1154 2.929,1155 2.786,1156 4.23,1157 2.79,1158 2.875,1159 3.009,1160 2.861,1161 2.62,1162 4.025,1163 2.639,1164 2.874,1165 2.958,1166 2.576,1167 2.618,1168 3.965,1169 2.57,1170 0.197,1171 0.143,1172 0.294,1173 0.18,1174 0.138,1175 4.535,1176 0.185,1177 3.278,1178 0.017,1179 6.77,1180 0.482,1181 4.146,1182 0.135,1183 3.171,1184 4.257,1185 0.4,1186 11.075,1187 3.094,1188 1.957,1189 1.934,1190 2.023,1191 2.063,1192 1.189,1193 2.052,1194 1.707,1195 1.664,1196 1.853,1197 1.886,1198 1.005,1199 1.871,1200 1.466,1201 1.361,1202 1.762,1203 1.764,1204 0.805,1205 1.77,1206 1.381,1207 1.295,1208 1.614,1209 1.632,1210 0.596,1211 1.652,1212 1.013,1213 0.938,1214 1.417,1215 1.373,1216 0.469,1217 1.356,1218 0.934,1219 0.86,1220 1.267,1221 1.239,1222 0.182,1223 1.308,1224 0.929,1225 0.804,1226 1.149,1227 1.195,1228 0.128,1229 1.174,1230 0.81,1231 0.712,1232 1.115,1233 1.098,1234 0.027,1235 1.118,1236 3.85,1238 5.165,1240 6.673,1242 8.282,1244 9.946,1246 5.539,1247 6.151,1250 11.668,1252 0.684,1257 1.584,1262 25.138,1263 64.864,1264 149.314,1265 175.858,1266 184.612,1267 184.612,1268 184.612,1269 37.708,1270 6.494,1271 105.78,1272 105.78,1273 12,1274 12.224,1275 3.807,1276 3,1277 41.992,1278 67,1279 70,1280 0.314,1281 165.678,1282 277.97,1283 396.013,1284 4574,1285 2.5,1286 16.276,1287 0.74,1288 0.612,1289 16.776,1290 13.464,1291 10.418,1292 0.453,1293 0.309,1294 6.644,1295 9.67,1296 6.342,1297 5.371,1298 10.707,1299 7.105,1300 9.581,1301 0.299,1302 0.164,1303 9.952,1304 5.252,1305 7.267,1306 0.182,1307 0.081,1308 7.647,1309 3.25,1310 6.066,1311 0.117,1312 0.041,1313 6.301,1314 2.154,1315 4.802,1316 0.075,1317 0.023,1318 5.044,1319 1.462,1320 0.477,1321 68.767,1322 0.264,1323 21.348,1324 0.907,1325 110,1326 337.053,1327 136.815,1328 365.719,1329 491.85,1330 338,1331 127,1332 352.59,1333 150.22,1334 368.677,1335 528.58,1336 343,1337 5.108}
{0 CHEMBL56325,1 1.536,2 10.731,3 2.654,4 7.045,5 104.899,6 7.301,7 0.586,8 3.984,9 4.12,10 3.538,11 3.484,12 5.079,13 3.475,14 4.517,15 4.704,16 3.899,17 3.881,18 5.572,19 3.849,20 4.726,21 4.928,22 3.942,23 4.049,24 5.709,25 3.984,26 4.812,27 5.053,28 3.833,29 4.054,30 5.772,31 3.941,32 4.803,33 5.069,34 3.743,35 3.982,36 5.708,37 3.866,38 4.661,39 4.899,40 3.678,41 3.904,42 5.557,43 3.793,44 4.664,45 4.924,46 3.608,47 3.839,48 5.558,49 3.712,50 4.587,51 4.861,52 3.455,53 3.685,54 5.433,55 3.56,56 0.038,57 0.767,58 10.303,59 3.879,60 10.51,61 5.476,62 0.285,63 1.192,64 19.417,65 6.866,66 26.994,67 9.571,68 0.281,69 1.431,70 24.168,71 8.131,72 26.152,73 11.924,74 0.244,75 1.482,76 27.095,77 9.391,78 39.569,79 14.091,80 0.331,81 1.39,82 27.993,83 8.887,84 41.01,85 13.678,86 0.165,87 1.24,88 23.348,89 8.348,90 26.032,91 12.329,92 0.228,93 1.188,94 24.122,95 8.594,96 31.038,97 12.682,98 0.216,99 1.035,100 23.187,101 7.627,102 27.745,103 11.431,104 10,105 41,106 0.261,107 0.618,108 0.796,109 0.839,110 0.839,111 0.839,112 3.304,113 0.9,114 -4.1,115 -4.04,116 -3.83,119 39.6,120 1,121 1,125 4,139 4,140 4,142 1,143 1,144 2,147 1,157 2,158 2,159 2,166 9,169 2,170 6,172 3,173 3,175 1,178 11,180 1,181 1,182 6,187 1,189 9,191 1,193 8,195 1,196 1,197 1,198 2,200 2,201 7,204 2,205 1,206 1,207 8,212 3,215 4,218 3,221 5,226 2,229 3,231 2,233 2,234 6,236 1,237 1,239 3,241 2,243 3,246 4,251 2,256 2,259 2,260 6,262 2,263 2,265 3,270 3,273 976,274 17.602,275 17.602,276 17.602,277 17.602,278 17.602,279 15.513,280 24.649,281 10.347,282 18.105,283 14.337,284 14.337,285 14.337,286 14.337,287 14.337,288 11.191,289 34.458,290 4.966,291 15.139,292 4.048,293 1.942,294 0.891,295 0.641,296 0.641,297 0.641,298 4.003,300 1,301 1,302 1,303 611,304 2.345,307 291.29,311 109.261,314 1.618,315 20.625,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 56,327 279,328 4.558,329 3.248,330 6.534,331 4.096,332 3.121,333 4.497,334 0.86,335 10.308,336 3.052,337 4.244,338 3.107,339 6.098,340 3.841,341 2.88,342 3.89,343 0.8,344 8.903,345 2.774,346 3.929,347 2.919,348 6.064,349 3.636,350 2.699,351 3.334,352 0.68,353 8.744,354 2.521,355 3.692,356 2.565,357 5.366,358 3.328,359 2.354,360 3.058,362 6.927,363 2.29,364 3.431,365 2.283,366 4.991,367 3.001,368 2.062,369 2.759,371 5.799,372 1.927,373 3.245,374 2.213,375 4.863,376 2.801,377 1.852,378 2.544,380 5.331,381 1.763,382 2.996,383 1.963,384 4.536,385 2.717,386 1.778,387 2.073,389 4.653,390 1.654,391 2.821,392 1.587,393 4.126,394 2.351,395 1.416,396 1.948,398 3.644,399 1.32,400 2.549,401 1.511,402 3.793,403 2.186,404 1.253,405 1.564,407 2.996,408 1.164,409 2.186,410 1.256,411 3.461,412 1.952,413 1,414 1.146,415 2.374,416 0.946,417 2,418 1.119,419 3.247,420 1.886,421 0.955,422 1,423 2.136,424 0.882,425 1.638,426 0.632,427 3.082,428 1.331,429 0.38,430 0.46,431 0.936,432 0.36,433 1.228,434 0.046,435 2.748,436 0.821,437 -0.144,438 -0.189,439 -0.372,440 -0.139,441 1.122,442 -0.108,443 2.606,444 0.697,445 -0.271,446 -0.36,448 -0.741,449 -0.262,450 0.799,451 -0.314,452 2.363,453 0.395,454 -0.514,455 -0.621,457 -1.242,458 -0.466,459 12.233,460 0.471,461 0.661,462 0.025,463 35.25,464 1.356,465 17.5,466 0.673,467 17.75,468 0.683,469 20.295,470 0.781,471 27.967,472 0.583,473 24.89,474 0.957,475 6.91,476 0.266,477 5.687,478 0.219,479 0.106,481 0.36,485 1.027,486 1.368,487 0.824,488 1.08,489 1.175,490 0.94,491 1.093,492 0.91,493 0.848,494 0.871,495 0.639,496 0.845,497 1.143,498 1.135,499 1.076,500 1.034,501 0.929,502 1.046,503 0.722,504 1.098,505 1.06,506 1.153,507 0.867,508 1.149,509 0.854,510 0.893,511 1.002,512 0.925,513 0.907,514 0.964,515 0.815,516 1.123,517 1.016,518 1.159,519 0.873,520 1.124,521 0.634,522 0.972,523 0.931,524 1.119,525 0.581,526 1.079,527 0.996,528 1.022,529 0.888,530 0.994,531 0.847,532 0.951,533 5.5,534 0.103,535 2.889,536 1.688,537 1.662,538 0.826,539 0.527,540 0.363,541 0.271,542 0.179,543 8211,544 20781,545 2.124,546 45.8,547 5,548 12,550 1,551 4,555 1.691,556 2,557 3.398,558 1.735,559 1,560 1,564 73.75,565 1.536,566 3.643,567 4.694,568 4.944,569 4.944,570 4.944,571 2.874,572 4.393,573 4.672,574 3.524,575 1145.32,576 8.094,577 14156.8,579 1,581 1,582 268.078,583 1.37,584 4.637,585 0.19,586 0.006,587 0.07,588 0.04,589 0.046,590 0.025,591 0.017,592 0.013,593 0.011,594 0.009,595 0.428,596 0.33,597 1,598 0.54,599 126.937,600 -0.105,601 -0.134,602 0.047,603 -0.015,604 -0.188,605 0.035,606 0.063,607 0.202,608 0.094,609 0.148,610 0.193,611 0.12,612 -0.149,613 -0.044,614 -0.143,615 -0.021,616 -0.117,617 -0.075,618 -0.021,619 -0.073,620 -0.127,621 -0.143,622 -0.006,623 -0.149,624 -0.05,625 0.084,626 -0.033,627 0.055,628 -0.062,629 0.026,630 -0.056,631 -0.132,632 -0.079,633 -0.125,634 -0.064,635 -0.107,636 0.129,637 -0.03,638 0.028,639 -0.099,640 0.174,641 -0.058,642 -0.017,643 -0.149,644 0.112,645 0.01,646 0.04,647 0.065,648 1.475,649 1.962,650 0.846,651 23.231,652 1,653 1.136,654 2.867,655 8.217,656 0.658,657 3.401,658 3.738,659 4.007,660 4.277,661 4.543,662 4.605,663 4.736,664 4.898,665 5.043,666 5.069,667 6.222,668 0.626,669 350.47,670 3.401,671 4.949,672 5.802,673 6.683,674 7.552,675 8.438,676 9.313,677 10.201,678 11.08,679 11.969,680 12.5,684 2,686 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,714 1,718 48,719 17,720 1,721 29,723 51,724 19,725 13,726 3,727 3,729 4,730 5,734 1,739 1,741 13,742 6,753 1,754 1,757 22,758 7,759 4,760 7,764 6,769 0.75,770 1,775 1,776 1,781 4,785 1,801 1,802 3,806 1,810 26,811 2,816 5,818 1,821 1,829 2.1,833 1,836 13,837 8.8,838 5.611,839 2.782,840 3.322,841 1.438,842 1.018,843 4.618,844 10.909,845 3.651,846 4.29,847 4.888,848 5.496,849 6.105,850 6.427,851 6.818,852 7.291,853 7.725,854 7.944,855 1,856 42,857 9.569,859 4.046,860 7.628,861 18.496,863 15.274,865 2.128,866 55.333,869 1,870 211.88,871 92.537,872 119.275,874 11,877 92.537,878 222.88,879 119.275,880 8.825,881 15.931,882 103.699,883 73.128,884 26.446,885 6.555,886 200.109,888 211.88,889 211.812,890 11,893 211.88,895 11,897 37.847,898 123.609,899 50.357,901 211.88,902 130.275,903 92.537,906 211.88,907 36.759,908 58.902,910 127.151,911 211.88,912 130.275,913 92.537,915 0.586,916 0.34,917 0.184,918 0.104,919 21,920 9,921 0.059,922 3,923 1,924 1.091,925 3.818,926 223.334,927 0.091,928 22,929 118.211,933 17.009,934 7.06,935 3.599,936 2.145,937 130.275,938 10.164,939 12.959,943 4.813,945 65.794,946 434.692,947 37.5,956 48.007,957 54.521,958 0.275,959 0.652,960 0.841,961 0.885,962 0.885,963 0.885,964 4.892,965 1.416,966 5.79,967 4.653,968 4.419,969 4.977,970 1.473,971 6.594,972 4.324,973 6.106,974 1.253,975 7.344,976 3.644,977 4.007,978 4.856,979 0.325,980 7.445,981 3.889,982 7.42,983 1,984 8.995,985 2.996,986 6.009,987 7.227,988 1.093,989 10.541,990 5.841,991 8.768,992 0.955,993 10.701,994 2.374,995 6.382,996 7.908,997 0.268,998 12.193,999 6.199,1000 10.147,1001 0.38,1002 12.442,1003 2.136,1004 7.867,1005 9.78,1006 0.823,1007 14.798,1008 7.641,1009 11.548,1010 -0.144,1011 14.208,1012 0.936,1013 8.616,1014 10.856,1015 0.188,1016 16.799,1017 8.375,1018 12.965,1019 -0.271,1020 15.991,1021 -0.372,1022 9.881,1023 12.513,1024 0.62,1025 19.218,1026 9.605,1027 3.121,1028 -0.514,1029 17.787,1030 -0.741,1031 10.815,1032 13.793,1033 0.125,1034 21.38,1035 10.524,1036 2.88,1037 10.308,1038 19.594,1039 -1.242,1040 11.986,1041 15.354,1042 0.465,1043 23.727,1044 11.665,1045 2.699,1046 8.903,1047 21.409,1048 4.497,1049 13.011,1050 16.739,1051 0.082,1052 25.965,1053 12.673,1054 2.354,1055 8.744,1056 23.231,1057 3.89,1058 14.143,1059 18.258,1060 0.348,1061 28.286,1062 13.78,1063 2.062,1064 6.927,1065 25.058,1066 3.334,1067 15.213,1068 19.698,1069 0.054,1070 30.562,1071 14.832,1072 1.852,1073 5.799,1074 26.89,1075 3.058,1076 16.331,1077 21.2,1078 0.259,1079 32.876,1080 15.928,1081 1.778,1082 5.331,1083 28.726,1084 2.759,1085 17.424,1086 22.667,1087 0.035,1088 35.172,1089 17.003,1090 7753,1091 12448,1092 19.592,1093 31.58,1094 43.544,1095 44.045,1096 44.463,1097 43.49,1098 43.501,1099 56.548,1100 4.68,1101 125.501,1102 41.304,1103 5.558,1104 5.248,1105 6.336,1106 5.199,1107 5.121,1108 7.497,1109 1.72,1110 17.236,1111 5.052,1112 11.344,1113 1.502,1114 1.519,1115 1.533,1116 1.5,1117 1.5,1118 1.95,1119 0.161,1120 4.328,1121 1.424,1122 4.105,1123 4.135,1124 4.067,1125 4.036,1126 5.291,1127 4.039,1128 3.868,1129 3.923,1130 3.83,1131 3.715,1132 4.983,1133 3.736,1134 3.753,1135 3.807,1136 3.649,1137 3.554,1138 4.965,1139 3.57,1140 3.489,1141 3.539,1142 3.391,1143 3.365,1144 4.616,1145 3.365,1146 3.146,1147 3.247,1148 3.037,1149 2.952,1150 4.461,1151 2.962,1152 3.144,1153 3.219,1154 3.003,1155 2.941,1156 4.325,1157 2.929,1158 3.111,1159 3.206,1160 2.866,1161 2.919,1162 4.063,1163 2.91,1164 2.974,1165 3.094,1166 2.812,1167 2.669,1168 3.751,1169 2.677,1170 0.157,1171 0.112,1172 0.225,1173 0.141,1174 0.108,1175 4.558,1176 0.155,1177 3.248,1178 0.03,1179 6.534,1180 0.355,1181 4.096,1182 0.105,1183 3.121,1184 4.497,1185 0.86,1186 10.308,1187 3.052,1188 2.063,1189 2.04,1190 2.139,1191 2.15,1192 1.313,1193 2.148,1194 1.8,1195 1.756,1196 1.927,1197 1.987,1198 1.19,1199 1.967,1200 1.685,1201 1.63,1202 1.864,1203 1.912,1204 1.027,1205 1.903,1206 1.478,1207 1.431,1208 1.674,1209 1.637,1210 0.825,1211 1.655,1212 1.153,1213 1.064,1214 1.513,1215 1.398,1216 0.719,1217 1.429,1218 1.112,1219 1.036,1220 1.401,1221 1.376,1222 0.448,1223 1.403,1224 1.086,1225 1.009,1226 1.322,1227 1.353,1228 0.355,1229 1.353,1230 0.892,1231 0.781,1232 1.225,1233 1.257,1234 0.196,1235 1.264,1236 4.078,1238 5.407,1240 6.938,1242 8.561,1244 10.23,1246 2.124,1250 11.536,1252 3.878,1254 5.442,1257 2.272,1262 30.058,1263 73.75,1264 174.853,1265 225.323,1266 237.323,1267 237.323,1268 237.323,1269 33.345,1270 7.588,1271 103.18,1272 103.18,1273 24,1274 12.501,1275 4.17,1276 3.248,1277 38.055,1278 97,1279 98,1280 0.193,1281 184.794,1282 308.79,1283 442.658,1284 20260,1286 18.096,1287 0.696,1288 0.568,1289 18.096,1290 14.774,1291 12.597,1292 0.434,1293 0.3,1294 8.565,1295 12.085,1296 8.346,1297 6.883,1298 12.597,1299 8.698,1300 11.601,1301 0.283,1302 0.16,1303 11.601,1304 6.564,1305 9.722,1306 0.18,1307 0.087,1308 9.722,1309 4.714,1310 8.253,1311 0.116,1312 0.046,1313 8.253,1314 3.285,1315 6.808,1316 0.073,1317 0.025,1318 6.808,1319 2.281,1320 0.301,1321 79.007,1322 0.226,1323 25.046,1324 0.531,1325 140,1326 376.94,1327 153.453,1328 369.34,1329 515.38,1330 348,1331 165,1332 388.242,1333 178.26,1334 395.74,1335 579.13,1336 372,1337 4.796}
{0 CHEMBL56366,1 1.594,2 9.375,3 3.595,4 12.926,5 101.82,6 7.861,7 0.462,8 3.888,9 4.037,10 3.494,11 3.391,12 5.016,13 3.37,14 4.401,15 4.602,16 3.859,17 3.778,18 5.471,19 3.726,20 4.636,21 4.879,22 3.929,23 3.864,24 5.668,25 3.796,26 4.542,27 4.769,28 3.876,29 3.79,30 5.685,31 3.735,32 4.54,33 4.755,34 3.809,35 3.805,36 5.669,37 3.744,38 4.649,39 4.902,40 3.836,41 3.86,42 5.665,43 3.741,44 4.613,45 4.874,46 3.857,47 3.775,48 5.651,49 3.627,50 4.364,51 4.617,52 3.407,53 3.517,54 5.349,55 3.352,56 0.101,57 0.708,58 8.902,59 3.46,60 11.258,61 4.926,62 0.22,63 1.059,64 17.129,65 6.177,66 21.691,67 8.893,68 0.326,69 1.178,70 25.573,71 6.687,72 31.517,73 10.414,74 0.325,75 1.117,76 23.197,77 6.007,78 38.764,79 9.269,80 0.313,81 1.151,82 20.206,83 5.314,84 36.559,85 8.447,86 0.315,87 1.118,88 25.563,89 7.85,90 39.811,91 11.629,92 0.453,93 0.928,94 31.967,95 8.118,96 50.726,97 11.818,98 0.381,99 0.725,100 27.319,101 6.515,102 36.338,103 9.097,104 18,105 36,106 0.278,107 0.653,108 0.796,109 0.831,110 0.831,111 0.831,112 3.229,113 0.963,114 -4.78,115 -4.7,116 -4.41,119 36.4,120 1,121 3,125 2,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 6,169 2,170 6,172 3,173 3,175 1,178 6,180 1,182 9,187 1,189 6,191 1,193 13,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,207 8,212 4,215 4,218 4,220 2,221 3,223 1,224 1,226 2,229 3,231 2,233 2,234 4,236 1,237 1,239 2,241 7,243 2,245 2,246 2,248 2,249 2,254 5,260 1,262 1,263 1,265 1,270 1,273 808,274 16.162,275 16.162,276 16.162,277 16.162,278 16.162,279 14.49,280 22.082,281 9.489,282 16.564,283 12.76,284 12.76,285 12.76,286 12.76,287 12.76,288 10.16,289 27.31,290 4.415,291 13.48,292 3.866,293 1.719,294 0.898,295 0.699,296 0.699,297 0.699,298 3.906,299 1,300 1,301 1,302 1,303 477,304 2.646,306 68.691,307 158.217,314 1.458,315 21.594,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 51.833,327 225,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.4,335 11.076,336 3.094,337 4.184,338 3.111,339 6.048,340 3.73,341 2.798,342 3.815,344 8.676,345 2.591,346 3.659,347 2.747,348 5.352,349 3.467,350 2.519,351 3.013,353 6.987,354 2.382,355 3.567,356 2.385,357 5.299,358 3.18,359 2.256,360 2.679,362 6.609,363 2.072,364 3.3,365 2.226,366 5.038,367 2.932,368 1.985,369 2.549,371 5.702,372 1.876,373 3.113,374 1.976,375 4.756,376 2.686,377 1.735,378 2.328,380 4.932,381 1.644,382 2.959,383 1.821,384 4.239,385 2.502,386 1.574,387 2.078,389 3.985,390 1.412,391 2.509,392 1.265,393 3.51,394 2.229,395 1.238,396 1.433,398 2.732,399 1.22,400 1.927,401 0.832,402 3.328,403 1.591,404 0.618,405 0.749,407 1.372,408 0.6,409 1.744,410 0.744,411 3.023,412 1.558,413 0.603,414 0.63,415 1.326,416 0.557,417 1.618,418 0.623,419 3,420 1.501,421 0.525,422 0.618,423 1.073,424 0.511,425 1.384,426 0.376,427 2.748,428 1.04,429 0.126,430 0.151,431 0.248,432 0.107,433 1.075,434 0.018,435 2.459,436 0.637,437 -0.245,438 -0.301,439 -0.611,440 -0.193,441 0.825,442 -0.305,443 2.367,444 0.438,445 -0.479,446 -0.587,448 -1.149,449 -0.437,450 0.671,451 -0.535,452 2.245,453 0.254,454 -0.702,455 -0.847,457 -1.881,458 -0.646,459 11.514,460 0.48,461 0.592,462 0.025,463 30.5,464 1.271,465 15,466 0.625,467 15.5,468 0.646,469 20.073,470 0.836,471 26.286,472 0.597,473 21.345,474 0.889,475 5.66,476 0.236,477 5.919,478 0.247,479 0.175,481 0.339,485 0.806,486 1.245,487 0.667,488 0.959,489 1.009,490 0.915,491 0.612,492 1.088,493 0.647,494 0.944,495 0.424,496 0.908,497 1.118,498 1.128,499 0.86,500 0.875,501 0.881,502 0.856,503 1.104,504 1.197,505 0.951,506 0.991,507 0.969,508 0.935,509 1.364,510 1.245,511 0.976,512 1.034,513 1.522,514 1.113,515 0.882,516 1.006,517 0.869,518 0.969,519 1.037,520 1.011,521 0.891,522 0.899,523 1.293,524 1.126,525 0.891,526 1.033,527 1.39,528 0.817,529 1.923,530 1.312,531 1.33,532 1.214,533 5,534 0.088,535 2.667,536 2.035,537 1.463,538 0.878,539 0.608,540 0.324,541 0.249,542 0.086,543 6027,544 16346,545 2.04,546 45.5,547 3,548 7,551 4,552 2,553 4,555 1.672,556 1.895,557 3.204,558 1.86,560 1,564 70.125,565 1.594,566 3.741,567 4.561,568 4.76,569 4.76,570 4.76,571 2.705,572 4.085,573 4.556,574 3.369,575 929.89,576 7.879,577 10840.9,579 1,581 1,582 240.215,583 1.459,584 4.507,585 0.192,586 0.007,587 0.074,588 0.057,589 0.042,590 0.027,591 0.02,592 0.012,593 0.014,594 0.005,595 0.451,597 1,598 0.813,599 113.322,600 0.018,601 0.056,602 0.016,603 0.045,604 -0.119,605 0.038,606 0.21,607 0.058,608 0.121,609 0.054,610 0.275,611 0.069,612 -0.105,613 -0.096,614 0.067,615 0.079,616 0.009,617 0.097,618 -0.041,619 -0.121,620 -0.009,621 -0.04,622 0.075,623 0.004,624 -0.319,625 -0.083,626 -0.211,627 -0.139,628 -0.35,629 -0.221,630 0.02,631 -0.021,632 0.055,633 0.018,634 -0.057,635 -0.022,636 0.232,637 -0.026,638 0.092,639 -0.043,640 0.178,641 0.003,642 -0.093,643 0.059,644 -0.334,645 -0.206,646 -0.173,647 -0.187,648 1.49,649 2.142,650 0.708,651 19.5,652 1.005,653 1.144,654 3.554,655 12.632,656 0.664,657 3.296,658 3.611,659 3.871,660 4.127,661 4.263,662 4.331,663 4.382,664 4.419,665 4.454,666 4.407,667 5.701,668 0.629,669 345.88,670 3.296,671 4.828,672 5.673,673 6.55,674 7.412,675 8.293,676 9.162,677 10.046,678 10.919,679 11.805,680 15.9,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 44,719 13,720 1,721 26,723 46,724 16,725 10,726 3,727 3,729 3,730 3,731 1,734 1,736 2,739 3,741 10,742 6,744 1,750 2,753 1,754 1,757 20,758 7,759 4,760 8,761 1,764 7,769 1,776 1,778 1,780 1,781 2,802 3,806 1,807 1,810 24,811 2,816 5,821 1,828 1,836 12.667,837 8.06,838 5.361,839 2.802,840 2.81,841 1.407,842 0.984,843 5.168,844 9.716,845 3.526,846 4.111,847 4.687,848 5.263,849 5.785,850 6.085,851 6.424,852 6.759,853 7.083,854 7.307,855 1,856 36,857 8.813,859 3.675,860 7.72,861 16.843,863 13.59,865 2.22,866 53.278,869 1,870 188.338,871 68.681,872 135.571,873 39.149,877 68.681,878 227.486,879 135.571,880 8.825,881 14.817,882 94.223,883 33.571,884 15.385,885 37.431,886 188.338,887 39.149,888 188.338,889 204.252,891 39.149,893 141.253,894 47.084,897 28.298,898 109.18,899 105.923,901 188.338,902 135.571,903 107.83,906 188.338,907 31.427,908 40.256,910 171.718,911 188.338,912 135.571,913 107.83,915 0.578,916 0.344,917 0.19,918 0.095,919 17,920 8,921 0.087,922 4,924 1,925 3.56,926 193.14,928 17,929 106.039,933 16.932,934 7.325,935 3.79,937 135.571,938 5.512,939 8.35,943 4.073,945 65.794,946 431.738,947 33,953 8.549,956 44.222,957 50.339,958 0.292,959 0.685,960 0.836,961 0.872,962 0.872,963 0.872,964 4.762,965 1.238,966 5.659,967 3.985,968 4.29,969 4.796,970 0.278,971 6.466,972 4.186,973 5.965,974 0.618,975 7.217,976 2.732,977 3.892,978 4.62,980 7.372,981 3.696,982 7.27,983 0.603,984 8.875,985 1.372,986 5.878,987 6.978,988 0.05,989 10.473,990 5.687,991 8.613,992 0.525,993 10.592,994 1.326,995 6.293,996 7.612,998 12.229,999 6.032,1000 9.987,1001 0.126,1002 12.347,1003 1.073,1004 7.745,1005 9.459,1006 0.008,1007 14.859,1008 7.484,1009 11.384,1010 -0.245,1011 14.131,1012 0.248,1013 8.539,1014 10.481,1016 16.985,1017 8.229,1018 12.798,1019 -0.479,1020 15.936,1021 -0.611,1022 9.786,1023 12.111,1024 0.001,1025 19.458,1026 9.468,1027 3.171,1028 -0.702,1029 17.758,1030 -1.149,1031 10.76,1032 13.332,1034 21.743,1035 10.409,1036 2.798,1037 11.076,1038 19.594,1039 -1.881,1040 11.928,1041 14.86,1043 24.165,1044 11.565,1045 2.519,1046 8.676,1047 21.442,1048 4.257,1049 12.987,1050 16.184,1052 26.517,1053 12.6,1054 2.256,1055 6.987,1056 23.3,1057 3.815,1058 14.129,1059 17.663,1061 28.922,1062 13.727,1063 1.985,1064 6.609,1065 25.165,1066 3.013,1067 15.229,1068 19.04,1070 31.302,1071 14.807,1072 1.735,1073 5.702,1074 27.038,1075 2.679,1076 16.364,1077 20.496,1079 33.703,1080 15.926,1081 1.574,1082 4.932,1083 28.916,1084 2.549,1085 17.485,1086 21.901,1088 36.096,1089 17.028,1090 5913,1091 9897,1092 17.107,1093 29.228,1094 38.535,1095 38.853,1096 39.804,1097 38.512,1098 38.295,1099 48.598,1100 0.8,1101 109.434,1102 36.134,1103 5.376,1104 5.278,1105 6.399,1106 5.216,1107 5.171,1108 7.257,1109 0.8,1110 17.964,1111 5.094,1112 12.176,1113 1.482,1114 1.494,1115 1.531,1116 1.481,1117 1.473,1118 1.869,1119 0.031,1120 4.209,1121 1.39,1122 4.016,1123 4.052,1124 4.055,1125 3.935,1126 5.287,1127 3.94,1128 3.829,1129 3.902,1130 3.825,1131 3.65,1132 5.039,1133 3.659,1134 3.747,1135 3.792,1136 3.692,1137 3.62,1138 4.975,1139 3.623,1140 3.392,1141 3.485,1142 3.293,1143 3.193,1144 4.722,1145 3.185,1146 3.149,1147 3.246,1148 3.204,1149 2.908,1150 4.465,1151 2.935,1152 3.071,1153 3.182,1154 3.065,1155 2.822,1156 4.237,1157 2.839,1158 2.875,1159 2.979,1160 2.898,1161 2.671,1162 4.131,1163 2.64,1164 2.869,1165 2.959,1166 2.6,1167 2.621,1168 3.965,1169 2.635,1170 0.174,1171 0.126,1172 0.26,1173 0.159,1174 0.122,1175 4.535,1176 0.164,1177 3.278,1178 0.015,1179 6.77,1180 0.426,1181 4.146,1182 0.119,1183 3.171,1184 4.257,1185 0.4,1186 11.076,1187 3.094,1188 1.957,1189 1.934,1190 2.023,1191 2.063,1192 1.211,1193 2.052,1194 1.707,1195 1.664,1196 1.86,1197 1.877,1198 1.189,1199 1.864,1200 1.577,1201 1.507,1202 1.851,1203 1.751,1204 1.006,1205 1.793,1206 1.428,1207 1.338,1208 1.668,1209 1.711,1210 0.946,1211 1.703,1212 1.38,1213 1.295,1214 1.613,1215 1.632,1216 0.596,1217 1.65,1218 1.013,1219 0.938,1220 1.267,1221 1.373,1222 0.183,1223 1.356,1224 0.928,1225 0.86,1226 1.149,1227 1.185,1228 0.128,1229 1.169,1230 0.81,1231 0.712,1232 1.115,1233 1.098,1234 0.094,1235 1.118,1236 3.97,1238 5.283,1239 2.398,1240 6.788,1241 4.443,1242 8.389,1243 6.26,1244 10.043,1246 1.995,1247 6.253,1250 11.756,1252 4.844,1257 1.946,1262 27.665,1263 70.125,1264 164.599,1265 200.705,1266 209.46,1267 209.46,1268 209.46,1269 38.037,1270 6.906,1271 105.78,1272 105.78,1273 17,1274 12.34,1275 3.807,1276 3,1277 39.145,1278 81,1279 78,1280 0.237,1281 177.469,1282 300.21,1283 424.784,1284 8418,1285 2.3,1286 17.104,1287 0.713,1288 0.596,1289 17.604,1290 14.292,1291 11.58,1292 0.445,1293 0.321,1294 7.891,1295 10.854,1296 7.684,1297 6.388,1298 11.868,1299 8.343,1300 10.338,1301 0.287,1302 0.168,1303 10.709,1304 6.066,1305 8.573,1306 0.182,1307 0.091,1308 8.953,1309 4.28,1310 7.267,1311 0.119,1312 0.048,1313 7.502,1314 2.918,1315 5.251,1316 0.075,1317 0.023,1318 5.494,1319 1.641,1320 0.366,1321 75.568,1322 0.242,1323 23.272,1324 0.67,1325 124,1326 351.053,1327 151.481,1328 378.512,1329 515.77,1330 352,1331 145,1332 375.294,1333 169.219,1334 387.555,1335 563.26,1336 365,1337 4.959}
{0 CHEMBL56456,1 1.687,2 10.08,3 2.944,4 8.665,5 105.32,6 7.743,7 0.462,8 3.939,9 4.087,10 3.51,11 3.391,12 5.12,13 3.376,14 4.422,15 4.628,16 3.847,17 3.739,18 5.542,19 3.695,20 4.641,21 4.876,22 3.991,23 3.869,24 5.742,25 3.824,26 4.635,27 4.843,28 3.971,29 3.892,30 5.827,31 3.84,32 4.752,33 4.989,34 3.892,35 3.916,36 5.882,37 3.841,38 4.784,39 5.049,40 3.878,41 3.924,42 5.809,43 3.8,44 4.69,45 4.95,46 3.917,47 3.831,48 5.766,49 3.69,50 4.5,51 4.738,52 3.623,53 3.623,54 5.627,55 3.477,56 0.137,57 0.713,58 9.86,59 3.638,60 17.388,61 5.222,62 0.293,63 1.017,64 18.395,65 6.083,66 31.773,67 8.894,68 0.461,69 1.166,70 26.029,71 6.178,72 42.86,73 10.065,74 0.405,75 1.216,76 24.621,77 6.469,78 47.397,79 10.238,80 0.506,81 1.265,82 26.857,83 6.691,84 60.462,85 11.056,86 0.465,87 1.167,88 30.345,89 8.695,90 59.083,91 13.181,92 0.504,93 0.956,94 34.039,95 8.51,96 57.532,97 12.645,98 0.539,99 0.764,100 32.123,101 7.271,102 57.037,103 10.096,104 50,105 35,106 0.292,107 0.663,108 0.813,109 0.882,110 0.882,111 0.882,112 3.267,113 0.965,114 -4.04,115 -3.99,116 -3.77,119 34,120 2,121 1,125 3,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 5,172 3,173 3,175 1,178 6,180 1,182 8,185 1,187 1,189 6,191 1,193 12,195 1,196 2,197 1,198 5,200 2,201 4,204 5,205 1,207 8,210 1,212 5,215 4,218 4,220 2,221 3,223 1,224 1,226 2,229 2,231 2,233 2,234 4,236 1,237 1,239 3,241 4,243 2,245 2,246 2,248 2,249 2,251 3,254 3,260 1,262 1,263 1,265 3,270 1,273 911,274 16.748,275 16.748,276 16.748,277 16.748,278 16.748,279 15.075,280 21.392,281 9.904,282 17.227,283 12.636,284 12.636,285 12.636,286 12.636,287 12.636,288 10.037,289 26.219,290 4.417,291 13.438,292 3.867,293 1.719,294 0.857,295 0.458,296 0.458,297 0.458,298 3.927,299 1,300 1,301 1,302 1,303 508,304 3.536,307 173.649,314 1.523,315 26.892,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 54.833,327 252,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.4,335 11.076,336 3.094,337 4.184,338 3.111,339 6.048,340 3.728,341 2.796,342 3.815,344 8.675,345 2.586,346 3.645,347 2.696,348 5.315,349 3.387,350 2.444,351 3.013,353 6.79,354 2.3,355 3.525,356 2.385,357 5.283,358 3.176,359 2.253,360 2.638,362 6.596,363 2.065,364 3.3,365 2.226,366 5.038,367 2.932,368 1.985,369 2.548,371 5.702,372 1.876,373 3.108,374 1.972,375 4.756,376 2.682,377 1.733,378 2.322,380 4.932,381 1.637,382 2.927,383 1.817,384 4.234,385 2.464,386 1.542,387 2.046,389 3.959,390 1.368,391 2.387,392 1.546,393 3.329,394 2.063,395 1.131,396 1.245,398 2.001,399 1.045,400 2.047,401 0.851,402 3.288,403 1.715,404 0.737,405 0.954,407 1.426,408 0.715,409 1.749,410 0.734,411 3.009,412 1.545,413 0.574,414 0.649,415 1.113,416 0.548,417 1.401,418 0.492,419 2.75,420 1.147,421 0.227,422 0.249,423 0.365,424 0.196,425 1.222,426 0.352,427 2.515,428 1.006,429 0.074,430 0.086,431 0.126,432 0.067,433 1.046,434 0.027,435 2.432,436 0.616,437 -0.256,438 -0.308,439 -0.575,440 -0.201,441 0.825,442 -0.305,443 2.248,444 0.438,445 -0.478,446 -0.587,448 -1.143,449 -0.437,450 0.671,451 -0.368,452 2.077,453 0.28,454 -0.643,455 -0.729,457 -1.189,458 -0.565,459 11.848,460 0.474,461 0.592,462 0.024,463 30.75,464 1.23,465 15,466 0.6,467 15.75,468 0.63,469 21.753,470 0.87,471 28.352,472 0.603,473 23.355,474 0.934,475 6.015,476 0.241,477 5.979,478 0.239,479 0.24,481 0.329,485 0.902,486 1.323,487 0.711,488 1.019,489 1.088,490 0.965,491 0.746,492 1.105,493 0.665,494 0.916,495 0.668,496 0.882,497 1.084,498 1.078,499 0.846,500 0.747,501 0.883,502 0.747,503 0.946,504 1.337,505 1.014,506 1.158,507 0.766,508 1.108,509 1.132,510 1.163,511 0.914,512 0.989,513 1.162,514 1.069,515 0.887,516 0.967,517 0.847,518 0.918,519 0.976,520 0.97,521 0.766,522 0.953,523 1.23,524 1.155,525 0.699,526 1.043,527 1.276,528 0.881,529 1.954,530 1.416,531 1.181,532 1.256,533 5.5,534 0.124,535 2.889,536 2.188,537 1.578,538 0.958,539 0.69,540 0.377,541 0.324,542 0.151,543 6094,544 19131,545 1.928,546 46.8,547 3,548 9,551 5,552 2,553 3,555 1.684,556 1.765,557 3.294,558 2.686,559 1,560 1,564 79.307,565 1.687,566 3.835,567 4.698,568 5.097,569 5.097,570 5.097,571 2.713,572 4.484,573 4.613,574 3.444,575 1033.08,576 7.999,577 12542.1,579 1,581 1,582 261.066,583 1.541,584 4.546,585 0.212,586 0.008,587 0.083,588 0.056,589 0.042,590 0.028,591 0.022,592 0.013,593 0.015,594 0.008,595 0.488,596 0.17,597 1,598 1.79,599 120.261,600 -0.052,601 0.024,602 -0.001,603 0.039,604 -0.192,605 0.026,606 0.11,607 0.057,608 0.133,609 0.103,610 0.107,611 0.112,612 -0.097,613 0.008,614 0.097,615 0.213,616 -0.047,617 0.205,618 -0.034,619 -0.165,620 -0.106,621 -0.169,622 0.048,623 -0.148,624 -0.182,625 -0.06,626 -0.133,627 -0.074,628 -0.177,629 -0.141,630 -0.02,632 0.07,633 0.069,634 -0.079,635 0.026,636 0.183,637 -0.051,638 0.107,639 -0.062,640 0.145,641 0.004,642 -0.012,643 0.01,644 -0.294,645 -0.272,646 -0.041,647 -0.218,648 1.519,649 3.016,650 0.48,651 21.658,652 1.009,653 1.148,654 2.806,655 7.873,656 0.648,657 3.296,658 3.584,659 3.829,660 4.06,661 4.234,662 4.29,663 4.331,664 4.331,665 4.344,666 4.277,667 5.978,668 0.615,669 363.9,670 3.296,671 4.812,672 5.645,673 6.515,674 7.371,675 8.249,676 9.115,677 9.998,678 10.87,679 11.756,680 14.9,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 47,719 13,720 1,721 26,723 48,724 16,725 10,726 3,727 3,729 2,730 2,731 1,734 3,739 1,741 10,742 6,744 1,750 2,753 1,754 1,757 22,758 8,759 5,760 9,761 1,764 7,769 1,770 1,771 1,776 1,781 2,800 1,802 2,806 2,807 1,810 25,811 2,815 1,816 4,821 1,828 1,829 2.1,830 1,836 14.167,837 8.76,838 5.861,839 2.902,840 2.745,841 1.408,842 0.924,843 6.934,844 9.472,845 3.526,846 4.094,847 4.668,848 5.242,849 5.775,850 6.071,851 6.407,852 6.731,853 7.047,854 7.259,855 0.857,856 39,857 9.153,859 3.696,860 7.891,861 17.142,863 13.167,865 2.391,866 59.778,869 1,870 200.109,871 72.437,872 135.571,873 39.149,874 42.683,877 72.437,878 281.941,879 135.571,880 17.65,881 9.748,882 136.906,883 33.571,884 15.385,885 37.431,886 200.109,887 39.149,888 200.109,889 208.008,890 42.683,891 39.149,893 164.795,894 35.313,895 42.683,897 32.054,898 109.18,899 105.923,901 200.109,902 178.254,903 111.586,906 200.109,907 26.358,908 49.081,910 214.401,911 200.109,912 178.254,913 111.586,915 0.565,916 0.341,917 0.186,918 0.098,919 14,920 8,921 0.146,922 7,924 1,925 3.527,926 195.686,928 12,929 116.096,933 19.378,934 8.946,935 4.784,937 178.254,938 5.336,939 8.3,943 3.671,945 108.478,946 489.949,947 33,953 8.294,956 47.432,957 53.963,958 0.304,959 0.69,960 0.846,961 0.918,962 0.918,963 0.918,964 4.745,965 1.131,966 5.631,967 3.959,968 4.263,969 4.779,970 0.278,971 6.438,972 4.149,973 5.949,974 0.737,975 7.194,976 2.001,977 3.892,978 4.62,980 7.372,981 3.696,982 7.255,983 0.574,984 8.856,985 1.426,986 5.849,987 6.968,988 0.05,989 10.458,990 5.649,991 8.598,992 0.227,993 10.577,994 1.113,995 6.275,996 7.607,998 12.222,999 6.012,1000 9.973,1001 0.074,1002 12.336,1003 0.365,1004 7.718,1005 9.454,1006 0.008,1007 14.85,1008 7.449,1009 11.371,1010 -0.256,1011 14.122,1012 0.126,1013 8.517,1014 10.478,1016 16.979,1017 8.206,1018 12.786,1019 -0.478,1020 15.928,1021 -0.575,1022 9.761,1023 12.109,1024 0.001,1025 19.454,1026 9.439,1027 3.171,1028 -0.643,1029 17.751,1030 -1.143,1031 10.739,1032 13.331,1034 21.74,1035 10.389,1036 2.796,1037 11.076,1038 19.588,1039 -1.189,1040 11.907,1041 14.859,1043 24.162,1044 11.543,1045 2.444,1046 8.675,1047 21.437,1048 4.257,1049 12.969,1050 16.183,1052 26.515,1053 12.583,1054 2.253,1055 6.79,1056 23.295,1057 3.815,1058 14.112,1059 17.662,1061 28.921,1062 13.71,1063 1.985,1064 6.596,1065 25.161,1066 3.013,1067 15.214,1068 19.039,1070 31.301,1071 14.794,1072 1.733,1073 5.702,1074 27.034,1075 2.638,1076 16.351,1077 20.495,1079 33.703,1080 15.915,1081 1.542,1082 4.932,1083 28.913,1084 2.548,1085 17.474,1086 21.901,1088 36.096,1089 17.019,1090 6343,1091 11364,1092 16.414,1093 30.444,1094 37.695,1095 38.214,1096 40.407,1097 37.549,1098 37.337,1099 47.64,1100 0.8,1101 105.519,1102 34.993,1103 5.293,1104 5.278,1105 6.548,1106 5.216,1107 5.171,1108 7.257,1109 0.8,1110 17.964,1111 5.094,1112 15.715,1113 1.45,1114 1.47,1115 1.554,1116 1.444,1117 1.436,1118 1.832,1119 0.031,1120 4.058,1121 1.346,1122 4.014,1123 4.048,1124 4.055,1125 3.935,1126 6.456,1127 3.939,1128 3.775,1129 3.833,1130 3.824,1131 3.629,1132 5.287,1133 3.644,1134 3.672,1135 3.741,1136 3.569,1137 3.449,1138 5.037,1139 3.459,1140 3.392,1141 3.485,1142 3.291,1143 3.193,1144 4.975,1145 3.185,1146 3.339,1147 3.418,1148 3.204,1149 3.124,1150 4.715,1151 3.107,1152 3.132,1153 3.231,1154 3.125,1155 2.903,1156 4.465,1157 2.925,1158 3.055,1159 3.159,1160 3.004,1161 2.81,1162 4.226,1163 2.824,1164 2.875,1165 2.959,1166 2.895,1167 2.621,1168 4.048,1169 2.639,1170 0.174,1171 0.126,1172 0.26,1173 0.159,1174 0.122,1175 4.535,1176 0.164,1177 3.278,1178 0.015,1179 6.77,1180 0.426,1181 4.146,1182 0.119,1183 3.171,1184 4.257,1185 0.4,1186 11.076,1187 3.094,1188 1.957,1189 1.935,1190 2.024,1191 2.064,1192 1.189,1193 2.053,1194 1.71,1195 1.665,1196 1.885,1197 1.916,1198 1.104,1199 1.903,1200 1.616,1201 1.539,1202 1.845,1203 1.828,1204 1.004,1205 1.836,1206 1.381,1207 1.296,1208 1.68,1209 1.633,1210 0.871,1211 1.652,1212 1.339,1213 1.259,1214 1.615,1215 1.599,1216 0.596,1217 1.629,1218 1.021,1219 0.947,1220 1.267,1221 1.377,1222 0.203,1223 1.357,1224 0.959,1225 0.884,1226 1.173,1227 1.292,1228 0.173,1229 1.254,1230 0.812,1231 0.714,1232 1.121,1233 1.099,1234 0.127,1235 1.118,1236 3.97,1238 5.263,1240 6.76,1242 8.36,1244 10.015,1246 3.891,1247 6.222,1250 11.725,1251 9.016,1252 1.682,1257 1.64,1262 28.907,1263 79.307,1264 180.253,1265 220.801,1266 239.556,1267 239.556,1268 239.556,1269 53.772,1270 6.727,1271 126.01,1272 126.01,1273 12,1274 12.291,1275 3.807,1276 3,1277 51.493,1278 89,1279 98,1280 0.289,1281 188.859,1282 321.36,1283 452.575,1284 6398,1285 2.1,1286 18.397,1287 0.736,1288 0.601,1289 18.897,1290 15.032,1291 11.994,1292 0.461,1293 0.322,1294 7.893,1295 11.172,1296 7.648,1297 6.394,1298 12.283,1299 8.367,1300 10.25,1301 0.293,1302 0.162,1303 10.621,1304 5.675,1305 8.372,1306 0.186,1307 0.087,1308 8.752,1309 3.921,1310 6.929,1311 0.122,1312 0.044,1313 7.164,1314 2.51,1315 5.226,1316 0.077,1317 0.023,1318 5.469,1319 1.578,1320 0.447,1321 78.761,1322 0.247,1323 24.103,1324 0.809,1325 122,1326 381.203,1327 150.92,1328 402.871,1329 539.49,1330 374,1331 141,1332 380.809,1333 166.105,1334 392.364,1335 568.4,1336 369,1337 4.569}
{0 CHEMBL565020,1 1.557,2 13.385,3 4.453,4 19.827,5 154.786,6 7.771,7 0.558,8 4.309,9 4.425,10 3.911,11 3.858,12 5.504,13 3.852,14 4.793,15 4.946,16 4.256,17 4.233,18 5.941,19 4.21,20 5.007,21 5.168,22 4.392,23 4.407,24 6.141,25 4.369,26 5.161,27 5.353,28 4.4,29 4.462,30 6.275,31 4.409,32 5.229,33 5.428,34 4.399,35 4.5,36 6.335,37 4.44,38 5.233,39 5.438,40 4.362,41 4.485,42 6.369,43 4.409,44 5.221,45 5.453,46 4.323,47 4.401,48 6.331,49 4.319,50 5.107,51 5.319,52 4.235,53 4.295,54 6.232,55 4.236,56 0.085,57 0.993,58 12.557,59 5.712,60 15.501,61 7.094,62 0.36,63 1.535,64 23.056,65 9.521,66 35.429,67 11.955,68 0.356,69 1.883,70 28.464,71 11.602,72 44.98,73 15.057,74 0.414,75 2.118,76 35.759,77 13.558,78 61.299,79 17.697,80 0.527,81 2.189,82 39.695,83 14.64,84 66.576,85 18.861,86 0.579,87 2.173,88 39.996,89 15.127,90 78.858,91 19.924,92 0.704,93 2.062,94 42.069,95 15.635,96 87.068,97 21.466,98 0.695,99 1.878,100 36.766,101 12.672,102 85.66,103 16.582,104 30,105 60,106 0.242,107 0.584,108 0.744,109 0.836,110 0.869,111 0.889,112 3.693,113 0.857,114 -5.08,115 -4.98,116 -4.66,119 44.8,121 1,124 2,127 1,134 2,139 11,140 6,141 2,142 1,144 1,147 1,151 1,153 1,157 2,158 2,159 2,160 1,166 19,169 2,170 9,172 3,173 3,175 1,178 20,180 1,181 2,182 17,187 1,189 16,191 1,193 20,195 1,196 1,197 1,198 2,200 2,201 14,204 2,205 1,207 19,212 3,215 19,218 3,220 2,221 11,226 2,229 19,231 2,233 5,234 9,236 1,237 1,239 3,241 16,243 3,245 3,246 8,248 1,249 1,251 2,254 13,256 2,260 7,262 1,263 1,265 1,268 14,270 1,273 2950,274 26.739,275 26.739,276 26.739,277 26.739,278 26.739,279 23.367,280 31.128,281 15.725,282 27.32,283 21.107,284 21.107,285 21.107,286 21.107,287 21.107,288 15.906,289 40.453,290 7.275,291 21.851,292 4.509,293 2.316,294 1.283,295 0.696,296 0.482,297 0.351,298 4.398,302 1,303 1138,304 3.742,307 589.715,311 189.503,314 1.964,315 36.203,318 0.75,319 0.67,320 0.83,321 0.5,323 0.83,324 1,325 0.65,326 84,327 522,328 4.491,329 3.765,330 6.968,331 4.241,332 3.263,333 4.135,334 1.26,335 11.831,336 3.191,337 4.439,338 3.333,339 6.528,340 4.042,341 3.076,342 4.002,343 0.922,344 10.291,345 2.975,346 4.23,347 3.289,348 6.088,349 3.813,350 2.856,351 3.877,352 0.86,353 8.843,354 2.736,355 3.948,356 3.071,357 6.012,358 3.592,359 2.597,360 3.461,361 0.86,362 8.46,363 2.577,364 3.836,365 2.626,366 5.634,367 3.442,368 2.442,369 3.181,370 0.68,371 7.345,372 2.438,373 3.6,374 2.537,375 5.281,376 3.232,377 2.278,378 2.934,380 6.715,381 2.174,382 3.415,383 2.364,384 5.208,385 3.03,386 2.072,387 2.678,389 6.223,390 1.975,391 3.362,392 2.178,393 4.921,394 2.939,395 1.999,396 2.659,398 5.65,399 1.868,400 3.151,401 2.081,402 4.696,403 2.759,404 1.763,405 2.347,407 4.756,408 1.752,409 3.088,410 1.962,411 4.316,412 2.578,413 1.588,414 2.257,415 3.948,416 1.568,417 2.823,418 1.772,419 4.145,420 2.353,421 1.422,422 1.952,423 3.672,424 1.321,425 2.785,426 1.53,427 3.811,428 2.32,429 1.328,430 1.899,431 3.016,432 1.317,433 2.73,434 1.431,435 3.672,436 2.289,437 1.3,438 1.753,439 2.928,440 1.283,441 2.5,442 1.378,443 3.611,444 2,445 1.081,446 1.5,448 2.432,449 1,450 2.435,451 1,452 3.332,453 1.975,454 1,455 1.259,457 2.136,458 0.951,459 18.4,460 0.472,461 0.866,462 0.022,463 55.5,464 1.423,465 30.5,466 0.782,467 25,468 0.641,469 32.105,470 0.823,471 40.4,472 0.603,473 50.021,474 1.283,475 11.519,476 0.295,477 7.459,478 0.191,479 0.116,481 0.348,485 0.849,486 1.123,487 0.761,488 0.986,489 0.84,490 0.874,491 0.992,492 0.918,493 0.829,494 0.876,495 0.681,496 0.845,497 0.867,498 1.195,499 0.938,500 1.101,501 0.836,502 1.039,503 1.099,504 1.059,505 1.022,506 1.063,507 1.045,508 1.032,509 1.332,510 0.998,511 1.08,512 0.989,513 1.141,514 0.996,515 1.064,516 1.025,517 1.061,518 1.083,519 1.378,520 1.076,521 0.76,522 0.967,523 0.815,524 0.99,525 1.081,526 0.937,527 1.34,528 0.957,529 1.052,530 0.941,531 1.57,532 0.958,533 7,534 0.33,535 4.444,536 3.125,537 2.756,538 1.278,539 1.015,540 0.733,541 0.493,542 0.482,543 23951,544 65068,545 2.095,546 41.8,547 2,548 20,550 2,551 4,555 1.798,556 1.966,557 3.675,558 1.427,564 104.351,565 1.557,566 3.75,567 4.784,568 5.37,569 5.585,570 5.715,571 3.083,572 5.132,573 5.26,574 3.871,575 2868.25,576 9.297,577 48156.9,582 406.428,583 1.389,584 5.219,585 0.163,586 0.006,587 0.074,588 0.047,589 0.042,590 0.019,591 0.016,592 0.012,593 0.009,594 0.009,595 0.398,597 0.75,598 0.735,599 217.02,600 -0.035,601 0.017,602 0.041,603 0.009,604 -0.129,605 0.036,606 0.029,607 0.152,608 0.058,609 0.115,610 0.045,611 0.087,612 0.042,613 -0.131,614 -0.053,615 -0.111,616 0.002,617 -0.097,618 -0.094,619 -0.033,620 -0.078,621 -0.082,622 -0.033,623 -0.076,624 -0.197,625 -0.008,626 -0.107,627 -0.001,628 -0.081,629 -0.032,630 -0.017,631 -0.052,632 -0.088,633 -0.084,634 -0.069,635 -0.092,636 0.269,637 -0.054,638 0.206,639 0.025,640 0.157,641 0.088,642 -0.034,643 0.012,644 -0.032,645 0.032,646 -0.138,647 0.003,648 1.947,649 6.58,650 0.718,651 41.837,652 1.005,653 1.122,654 3.848,655 14.808,656 0.683,657 3.784,658 4.111,659 4.419,660 4.71,661 4.97,662 5.024,663 5.165,664 5.278,665 5.394,666 5.421,667 7.999,668 0.658,669 520.64,670 3.784,671 5.333,672 6.196,673 7.084,674 7.966,675 8.86,676 9.748,677 10.644,678 11.536,679 12.433,680 9,684 2,687 1,689 1,690 2,695 12,696 2,700 10,702 24,711 2,716 2,718 67,719 27,720 3,721 43,723 71,724 30,725 22,726 7,727 11,728 4,729 5,730 6,732 1,736 1,739 2,741 26,742 4,744 3,748 1,749 3,750 1,751 1,757 28,758 9,759 4,760 9,764 6,769 0.8,770 3,776 1,781 5,785 1,795 2,802 4,806 2,810 39,811 2,816 1,818 2,820 1,821 1,829 4.5,832 1,834 2,836 19.833,837 12.55,838 8.722,839 3.621,840 5.295,841 1.624,842 0.998,843 7.8,844 13.775,845 4.078,846 4.673,847 5.263,848 5.829,849 6.393,850 6.599,851 6.994,852 7.379,853 7.783,854 8.063,855 0.889,856 67,857 14.364,859 6.098,860 7.761,861 27.11,863 21.957,865 2.261,866 88.167,870 282.506,871 204.119,872 119.03,874 47.145,877 204.119,878 329.651,879 119.03,880 21.766,881 5.536,882 188.986,883 96.01,884 77.311,885 4.227,886 258.964,888 282.506,889 323.149,890 47.145,893 282.506,894 47.145,897 33.146,898 228.432,899 61.571,901 282.506,902 166.175,903 204.119,906 282.506,907 41.067,908 166.054,910 163.173,911 282.506,912 166.175,913 204.119,915 0.576,916 0.351,917 0.201,918 0.113,919 28,920 13,921 0.099,922 7,923 1,924 1.071,925 4.735,926 397.221,927 0.071,928 28,929 202.131,933 26.264,934 11.583,935 5.59,937 166.175,938 23.15,939 8.086,943 6.627,945 65.794,946 652.8,947 58,951 13.58,952 4.904,953 4.521,954 -0.28,956 67.312,957 75.185,958 0.257,959 0.618,960 0.789,961 0.885,962 0.921,963 0.942,964 5.313,965 1.999,966 6.18,967 6.223,968 4.796,969 5.361,970 2.212,971 7.013,972 4.735,973 6.522,974 1.763,975 7.751,976 5.65,977 4.369,978 5.075,979 0.747,980 7.968,981 4.285,982 7.827,983 1.588,984 9.423,985 4.756,986 6.405,987 7.532,988 2.14,989 11.099,990 6.293,991 9.166,992 1.422,993 11.158,994 3.948,995 6.815,996 8.047,997 1.15,998 12.908,999 6.672,1000 10.536,1001 1.328,1002 12.933,1003 3.672,1004 8.305,1005 9.961,1006 2.218,1007 15.565,1008 8.144,1009 11.928,1010 1.3,1011 14.736,1012 3.016,1013 9.107,1014 10.873,1015 1.554,1016 17.735,1017 8.912,1018 13.337,1019 1.081,1020 16.56,1021 2.928,1022 10.381,1023 12.538,1024 2.412,1025 20.239,1026 10.168,1027 3.263,1028 1,1029 18.4,1030 2.432,1031 11.37,1032 13.663,1033 1.989,1034 22.567,1035 11.125,1036 3.076,1037 11.831,1038 20.253,1039 2.136,1040 12.56,1041 15.202,1042 2.693,1043 25.026,1044 12.295,1045 2.856,1046 10.291,1047 22.117,1048 4.135,1049 13.636,1050 16.446,1051 2.447,1052 27.422,1053 13.341,1054 2.597,1055 8.843,1056 23.99,1057 4.002,1058 14.797,1059 17.917,1060 3.034,1061 29.871,1062 14.48,1063 2.442,1064 8.46,1065 25.87,1066 3.877,1067 15.915,1068 19.228,1069 2.917,1070 32.299,1071 15.571,1072 2.278,1073 7.345,1074 27.756,1075 3.461,1076 17.068,1077 20.664,1078 3.415,1079 34.749,1080 16.702,1081 2.072,1082 6.715,1083 29.648,1084 3.181,1085 18.207,1086 22.012,1087 3.391,1088 37.194,1089 17.815,1090 22542,1091 37324,1092 28.838,1093 45.773,1094 64.91,1095 65.879,1096 66.642,1097 63.782,1098 63.861,1099 84.76,1100 9.163,1101 184.543,1102 61.771,1103 5.363,1104 5.765,1105 6.77,1106 5.31,1107 5.263,1108 7.135,1109 2.347,1110 19.202,1111 5.191,1112 19.178,1113 1.51,1114 1.532,1115 1.55,1116 1.483,1117 1.485,1118 1.971,1119 0.213,1120 4.292,1121 1.437,1122 4.062,1123 4.092,1124 4.016,1125 3.985,1126 7.429,1127 3.987,1128 3.98,1129 4.006,1130 3.937,1131 3.909,1132 5.292,1133 3.912,1134 3.827,1135 3.869,1136 3.792,1137 3.767,1138 4.98,1139 3.759,1140 3.821,1141 3.853,1142 3.749,1143 3.67,1144 4.93,1145 3.693,1146 3.585,1147 3.617,1148 3.534,1149 3.419,1150 4.871,1151 3.44,1152 3.319,1153 3.38,1154 3.216,1155 3.152,1156 4.706,1157 3.16,1158 3.308,1159 3.365,1160 3.187,1161 3.071,1162 4.501,1163 3.092,1164 3.223,1165 3.294,1166 3.033,1167 2.954,1168 4.461,1169 2.951,1170 0.104,1171 0.088,1172 0.162,1173 0.099,1174 0.076,1175 4.491,1176 0.096,1177 3.765,1178 0.029,1179 6.968,1180 0.275,1181 4.241,1182 0.074,1183 3.263,1184 4.135,1185 1.26,1186 11.831,1187 3.191,1188 2.006,1189 1.981,1190 2.098,1191 2.1,1192 1.276,1193 2.099,1194 1.953,1195 1.936,1196 2.038,1197 2.053,1198 1.229,1199 2.047,1200 1.834,1201 1.806,1202 1.961,1203 1.934,1204 1.026,1205 1.932,1206 1.75,1207 1.71,1208 1.835,1209 1.914,1210 0.922,1211 1.906,1212 1.511,1213 1.48,1214 1.648,1215 1.707,1216 0.676,1217 1.686,1218 1.272,1219 1.216,1220 1.575,1221 1.539,1222 0.586,1223 1.549,1224 1.245,1225 1.185,1226 1.561,1227 1.525,1228 0.574,1229 1.538,1230 1.176,1231 1.096,1232 1.446,1233 1.448,1234 0.543,1235 1.455,1236 4.466,1238 5.79,1240 7.323,1242 8.955,1244 10.638,1246 3.116,1250 11.683,1252 0.435,1254 11.212,1256 -0.36,1257 1.494,1262 44.068,1263 104.351,1264 251.242,1265 320.5,1266 359.799,1267 374.163,1268 382.918,1269 72.782,1270 8.479,1271 128.95,1272 128.95,1273 30,1274 12.958,1275 4.807,1276 4,1277 61.27,1278 190,1279 199,1280 0.155,1281 270.417,1282 474.93,1283 651.578,1284 67657,1286 27.355,1287 0.701,1288 0.554,1289 27.355,1290 21.613,1291 18.978,1292 0.441,1293 0.286,1294 12.105,1295 18.247,1296 11.776,1297 9.823,1298 18.978,1299 12.29,1300 16.709,1301 0.278,1302 0.149,1303 16.709,1304 8.939,1305 14.469,1306 0.176,1307 0.079,1308 14.469,1309 6.482,1310 12.445,1311 0.113,1312 0.042,1313 12.445,1314 4.647,1315 10.423,1316 0.073,1317 0.023,1318 10.423,1319 3.271,1320 0.244,1321 119.107,1322 0.186,1323 34.922,1324 0.425,1325 206,1326 604.412,1327 224.49,1328 588.477,1329 812.08,1330 552,1331 245,1332 604.865,1333 264.407,1334 617.999,1335 900.32,1336 578,1337 4.602}
{0 CHEMBL565059,1 1.614,2 13.425,3 3.704,4 13.72,5 154.802,6 7.565,7 0.419,8 4.371,9 4.489,10 3.937,11 3.856,12 5.568,13 3.856,14 4.883,15 5.051,16 4.305,17 4.239,18 6.034,19 4.226,20 5.092,21 5.24,22 4.49,23 4.455,24 6.28,25 4.432,26 5.364,27 5.562,28 4.513,29 4.554,30 6.516,31 4.511,32 5.379,33 5.569,34 4.519,35 4.605,36 6.537,37 4.544,38 5.459,39 5.686,40 4.454,41 4.56,42 6.652,43 4.477,44 5.345,45 5.589,46 4.366,47 4.43,48 6.454,49 4.35,50 5.198,51 5.408,52 4.287,53 4.345,54 6.339,55 4.288,56 0.125,57 1.055,58 14.407,59 6.299,60 17.855,61 8.028,62 0.614,63 1.609,64 27.729,65 10.368,66 59.513,67 13.492,68 0.429,69 2.033,70 31.884,71 12.626,72 53.104,73 16.689,74 1.049,75 2.367,76 48.013,77 15.509,78 125.033,79 20.62,80 0.761,81 2.445,82 46.718,83 16.81,84 86.611,85 22.48,86 1.14,87 2.435,88 54.642,89 18.219,90 158.193,91 25.315,92 1.014,93 2.147,94 49.952,95 16.453,96 115.56,97 23.399,98 0.923,99 1.944,100 41.419,101 13.303,102 110.724,103 18.108,104 93,105 62,106 0.25,107 0.611,108 0.778,109 0.835,110 0.861,111 0.874,112 3.718,113 0.868,114 -4.38,115 -4.31,116 -4.07,119 40.3,120 2,121 1,123 1,124 3,127 1,134 2,139 6,140 5,141 2,142 1,144 1,147 1,151 1,153 2,157 2,158 2,159 2,160 1,166 15,169 3,170 11,172 3,173 3,175 1,178 15,180 1,181 2,182 21,187 1,189 13,191 1,192 2,193 20,195 1,196 1,197 1,198 2,200 2,201 12,204 2,205 1,206 2,207 20,212 3,215 14,218 3,220 4,221 14,226 2,229 11,231 2,233 5,234 12,236 1,237 1,239 3,241 9,243 3,245 3,246 10,248 1,249 1,251 2,254 9,256 2,260 9,262 1,263 1,265 1,268 11,270 1,273 3088,274 26.59,275 26.59,276 26.59,277 26.59,278 26.59,279 23.828,280 34.689,281 15.199,282 27.325,283 20.953,284 20.953,285 20.953,286 20.953,287 20.953,288 16.482,289 46.231,290 6.859,291 21.802,292 4.556,293 2.223,294 1.143,295 0.778,296 0.608,297 0.525,298 4.404,303 1134,304 4.848,307 509.948,311 200.409,314 1.954,315 50.503,318 0.5,319 0.67,320 0.5,321 0.8,322 0.5,323 0.5,324 0.5,325 0.57,326 88,327 537,328 4.691,329 4.124,330 7.793,331 4.588,332 3.599,333 4.135,334 2.443,335 14.287,336 3.555,337 4.442,338 3.643,339 6.535,340 4.044,341 3.078,342 4.021,343 1.081,344 10.292,345 2.977,346 4.23,347 3.326,348 6.521,349 3.878,350 2.89,351 3.877,352 0.86,353 9.89,354 2.852,355 4.175,356 3.182,357 6.088,358 3.812,359 2.856,360 3.537,361 0.86,362 8.843,363 2.736,364 3.907,365 3.071,366 6.006,367 3.582,368 2.587,369 3.186,370 0.68,371 8.407,372 2.563,373 3.601,374 2.594,375 5.281,376 3.233,377 2.278,378 2.934,379 0.473,380 6.715,381 2.175,382 3.419,383 2.537,384 5.255,385 3.038,386 2.08,387 2.676,388 0.286,389 6.244,390 1.982,391 3.362,392 2.364,393 5.184,394 2.939,395 1.999,396 2.658,398 5.65,399 1.868,400 3.174,401 2.178,402 4.921,403 2.819,404 1.839,405 2.291,407 5.445,408 1.789,409 3.089,410 2.078,411 4.422,412 2.579,413 1.59,414 2.254,415 4.01,416 1.568,417 2.823,418 1.903,419 4.277,420 2.399,421 1.432,422 1.952,423 3.677,424 1.368,425 2.784,426 1.771,427 4.145,428 2.353,429 1.42,430 1.84,431 3.626,432 1.321,433 2.724,434 1.53,435 3.794,436 2.31,437 1.326,438 1.707,439 2.973,440 1.301,441 2.435,442 1.461,443 3.625,444 1.975,445 1.084,446 1.259,448 2.437,449 0.952,450 2.15,451 1.421,452 3.483,453 1.702,454 0.737,455 1.002,457 1.783,458 0.709,459 18.567,460 0.464,461 1.16,462 0.029,463 51.75,464 1.294,465 26,466 0.65,467 25.75,468 0.644,469 39.7,470 0.992,471 43.833,472 0.609,473 50.5,474 1.263,475 10.651,476 0.266,477 8.447,478 0.211,479 0.214,480 0.027,481 0.345,485 0.822,486 1.277,487 0.784,488 1.141,489 0.757,490 0.977,491 0.938,492 0.857,493 0.75,494 0.78,495 0.624,496 0.743,497 0.856,498 1.378,499 0.947,500 1.271,501 0.834,502 1.145,503 1.359,504 0.915,505 1.102,506 0.905,507 1.452,508 0.946,509 1.093,510 1.147,511 1.12,512 1.196,513 0.993,514 1.169,515 0.967,516 1.012,517 0.997,518 1.066,519 1.203,520 1.045,521 0.83,522 0.936,523 0.806,524 0.935,525 0.961,526 0.887,527 1.242,528 0.982,529 1.069,530 0.955,531 1.431,532 0.981,533 9.5,534 0.458,535 6,536 3.938,537 3.422,538 1.84,539 1.281,540 0.837,541 0.629,542 0.628,543 23653,544 69270,545 1.986,546 44.4,547 8,548 18,550 2,551 4,555 1.804,556 1.811,557 3.663,558 1.456,564 116.234,565 1.614,566 3.947,567 5.027,568 5.392,569 5.562,570 5.645,571 3.066,572 4.734,573 5.297,574 3.868,575 3017.19,576 9.373,577 51212.6,582 444.235,583 1.669,584 5.219,585 0.221,586 0.008,587 0.097,588 0.055,589 0.048,590 0.026,591 0.02,592 0.014,593 0.011,594 0.011,595 0.51,597 0.75,598 1.164,599 223.713,600 -0.044,601 -0.053,602 0.041,603 -0.048,604 -0.108,605 0.007,606 0.062,607 0.239,608 0.172,609 0.259,610 0.089,611 0.234,612 0.005,613 -0.231,614 -0.073,615 -0.211,616 0.003,617 -0.164,618 -0.187,619 0.111,620 -0.116,621 0.077,622 -0.182,623 0.007,624 -0.112,625 -0.108,626 -0.178,627 -0.172,628 -0.048,629 -0.184,630 0.059,631 -0.073,632 0.002,633 -0.067,634 0.063,635 -0.044,636 0.149,637 -0.027,638 0.206,639 0.062,640 0.094,641 0.128,642 -0.095,643 0.005,644 -0.072,645 0.029,646 -0.172,647 -0.014,648 2.339,649 6.612,650 0.55,651 41.96,652 1.01,653 1.131,654 3.15,655 9.921,656 0.656,657 3.784,658 4.143,659 4.443,660 4.7,661 4.942,662 4.99,663 5.094,664 5.182,665 5.298,666 5.328,667 8.009,668 0.633,669 544.67,670 3.784,671 5.352,672 6.221,673 7.122,674 8.012,675 8.918,676 9.816,677 10.724,678 11.626,679 12.536,680 8.3,684 2,687 1,689 1,690 2,695 7,696 2,700 9,702 18,711 2,716 2,718 72,719 22,720 2,721 43,723 75,724 29,725 16,726 6,727 6,728 4,729 4,730 5,732 1,734 2,735 1,736 1,739 2,741 21,742 8,744 4,748 2,749 3,750 1,751 2,757 32,758 11,759 4,760 11,764 6,769 0.75,770 5,776 1,781 4,785 1,793 1,795 2,802 3,806 5,810 40,811 2,816 1,818 3,820 1,821 1,822 1,829 6.9,832 2,834 3,836 22.083,837 14.467,838 8.944,839 3.822,840 4.421,841 1.533,842 0.943,843 8.767,844 12.72,845 4.043,846 4.63,847 5.194,848 5.713,849 6.259,850 6.482,851 6.83,852 7.174,853 7.561,854 7.823,855 0.889,856 72,857 14.809,859 6.314,860 7.898,861 27.503,863 22.008,865 2.398,866 95.917,870 329.591,871 189.277,872 119.03,874 83.29,877 189.277,878 412.88,879 119.03,880 50.3,881 5.536,882 141.604,883 128.347,884 85.125,885 4.227,886 306.049,888 329.591,889 308.307,890 83.29,893 329.591,894 83.29,897 50.796,898 195.94,899 61.571,901 329.591,902 202.32,903 189.277,906 329.591,907 45.072,908 147.206,910 199.318,911 329.591,912 202.32,913 189.277,915 0.587,916 0.363,917 0.195,918 0.107,919 28,920 15,921 0.12,922 9,923 1,924 1.091,925 4.608,926 408.391,927 0.091,928 22,929 210.877,933 29.057,934 12.069,935 5.985,937 202.32,938 12.741,939 8.047,943 4.977,945 65.794,946 721.187,947 56,951 26.401,952 4.607,953 4.42,954 -0.897,956 72.734,957 81.434,958 0.262,959 0.64,960 0.815,961 0.874,962 0.901,963 0.915,964 5.311,965 1.999,966 6.252,967 6.244,968 4.828,969 5.318,970 2.874,971 7.146,972 4.763,973 6.542,974 1.839,975 7.876,976 5.65,977 4.635,978 5.207,979 2.243,980 8.386,981 4.568,982 7.874,983 1.59,984 9.613,985 5.445,986 6.535,987 7.493,988 3.952,989 11.5,990 6.429,991 9.242,992 1.432,993 11.42,994 4.01,995 7.155,996 8.14,997 4.269,998 13.605,999 7.048,1000 10.641,1001 1.42,1002 13.275,1003 3.677,1004 8.585,1005 9.941,1006 5.507,1007 16.347,1008 8.452,1009 12.062,1010 1.326,1011 15.166,1012 3.626,1013 9.559,1014 10.941,1015 6.158,1016 18.792,1017 9.421,1018 13.5,1019 1.084,1020 17.085,1021 2.973,1022 10.839,1023 12.537,1024 7.212,1025 21.452,1026 10.685,1027 3.599,1028 0.737,1029 19.026,1030 2.437,1031 11.967,1032 13.717,1033 7.992,1034 24.027,1035 11.806,1036 3.078,1037 14.287,1038 20.986,1039 1.783,1040 13.209,1041 15.214,1042 8.964,1043 26.675,1044 13.036,1045 2.89,1046 10.292,1047 22.962,1048 4.135,1049 14.405,1050 16.491,1051 9.802,1052 29.3,1053 14.224,1054 2.856,1055 9.89,1056 24.951,1057 4.021,1058 15.644,1059 17.939,1060 10.734,1061 31.95,1062 15.454,1063 2.587,1064 8.843,1065 26.95,1066 3.877,1067 16.873,1068 19.269,1069 11.599,1070 34.595,1071 16.675,1072 2.278,1073 8.407,1074 28.959,1075 3.537,1076 18.121,1077 20.692,1078 12.512,1079 37.249,1080 17.913,1081 2.08,1082 6.715,1083 30.976,1084 3.186,1085 19.368,1086 22.051,1087 13.391,1088 39.902,1089 19.151,1090 23013,1091 39538,1092 27.452,1093 47.205,1094 65.565,1095 67.9,1096 68.831,1097 64.044,1098 64.186,1099 81.932,1100 13.365,1101 193.52,1102 61.831,1103 5.593,1104 6.124,1105 7.476,1106 5.657,1107 5.599,1108 7.135,1109 4.174,1110 22.71,1111 5.555,1112 25.934,1113 1.525,1114 1.579,1115 1.601,1116 1.489,1117 1.493,1118 1.905,1119 0.311,1120 4.5,1121 1.438,1122 4.054,1123 4.084,1124 4.008,1125 3.966,1126 7.433,1127 3.971,1128 3.975,1129 4.002,1130 3.932,1131 3.902,1132 7.427,1133 3.904,1134 3.826,1135 3.869,1136 3.792,1137 3.67,1138 5.291,1139 3.694,1140 3.713,1141 3.743,1142 3.634,1143 3.585,1144 4.98,1145 3.589,1146 3.569,1147 3.598,1148 3.515,1149 3.399,1150 4.927,1151 3.418,1152 3.319,1153 3.38,1154 3.209,1155 3.108,1156 4.85,1157 3.126,1158 3.306,1159 3.36,1160 3.185,1161 3.067,1162 4.506,1163 3.088,1164 3.254,1165 3.323,1166 3.069,1167 2.962,1168 4.501,1169 2.976,1170 0.109,1171 0.096,1172 0.181,1173 0.107,1174 0.084,1175 4.691,1176 0.096,1177 4.124,1178 0.057,1179 7.793,1180 0.332,1181 4.588,1182 0.083,1183 3.599,1184 4.135,1185 2.443,1186 14.287,1187 3.555,1188 1.987,1189 1.962,1190 2.084,1191 2.096,1192 1.327,1193 2.091,1194 1.951,1195 1.933,1196 2.038,1197 2.052,1198 1.23,1199 2.046,1200 1.751,1201 1.71,1202 1.88,1203 1.933,1204 1.02,1205 1.906,1206 1.685,1207 1.65,1208 1.835,1209 1.843,1210 0.922,1211 1.851,1212 1.494,1213 1.464,1214 1.642,1215 1.697,1216 0.651,1217 1.675,1218 1.25,1219 1.19,1220 1.583,1221 1.542,1222 0.577,1223 1.554,1224 1.237,1225 1.178,1226 1.575,1227 1.539,1228 0.574,1229 1.549,1230 1.199,1231 1.123,1232 1.558,1233 1.519,1234 0.567,1235 1.534,1236 4.466,1238 5.814,1240 7.37,1242 9.022,1244 10.728,1246 7.832,1250 11.657,1252 0.393,1254 16.227,1256 -0.699,1257 1.301,1258 -1.089,1262 45.551,1263 116.234,1264 284.182,1265 361.931,1266 388.196,1267 400.46,1268 406.46,1269 107.112,1270 8.299,1271 155.25,1272 155.25,1273 24,1274 13.053,1275 4.524,1276 3.807,1277 72.99,1278 196,1279 208,1280 0.181,1281 282.066,1282 503.75,1283 680,1284 52621,1286 29.026,1287 0.726,1288 0.576,1289 29.026,1290 23.043,1291 19.098,1292 0.444,1293 0.289,1294 12.205,1295 18.153,1296 11.727,1297 9.847,1298 19.098,1299 12.446,1300 17.39,1301 0.28,1302 0.157,1303 17.39,1304 9.741,1305 14.951,1306 0.178,1307 0.08,1308 14.951,1309 6.761,1310 12.113,1311 0.111,1312 0.044,1313 12.113,1314 4.76,1315 9.838,1316 0.071,1317 0.023,1318 9.838,1319 3.201,1320 0.285,1321 121.521,1322 0.191,1323 35.496,1324 0.5,1325 210,1326 673.883,1327 233.693,1328 641.251,1329 866.87,1330 598,1331 251,1332 631.047,1333 275.889,1334 643.413,1335 935.3,1336 596,1337 4.602}
{0 CHEMBL56532,1 1.684,2 10.769,3 2.567,4 6.589,5 108.004,6 7.831,7 0.429,8 3.977,9 4.12,10 3.568,11 3.456,12 5.124,13 3.442,14 4.492,15 4.684,16 3.941,17 3.85,18 5.588,19 3.805,20 4.775,21 5.006,22 4.051,23 3.981,24 5.843,25 3.924,26 4.75,27 4.983,28 3.959,29 3.921,30 5.873,31 3.851,32 4.693,33 4.939,34 3.874,35 3.872,36 5.795,37 3.802,38 4.693,39 4.944,40 3.894,41 3.896,42 5.752,43 3.786,44 4.664,45 4.918,46 3.929,47 3.843,48 5.718,49 3.709,50 4.48,51 4.715,52 3.641,53 3.672,54 5.519,55 3.53,56 0.137,57 0.753,58 9.907,59 3.847,60 17.732,61 5.368,62 0.267,63 1.129,64 18.77,65 6.789,66 29.394,67 9.631,68 0.462,69 1.312,70 29.169,71 7.629,72 51.17,73 11.691,74 0.523,75 1.275,76 28.88,77 7.408,78 58.636,79 11.465,80 0.465,81 1.243,82 25.279,83 6.202,84 51.883,85 10.301,86 0.417,87 1.16,88 26.662,89 7.912,90 50.071,91 11.921,92 0.495,93 0.991,94 32.946,95 8.394,96 54.537,97 12.309,98 0.416,99 0.817,100 29.61,101 7.387,102 41.752,103 10.173,104 27,105 39,106 0.289,107 0.669,108 0.816,109 0.848,110 0.848,111 0.848,112 3.304,113 0.956,114 -4.27,115 -4.21,116 -3.98,119 35.4,120 1,121 3,125 2,127 1,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 6,172 3,173 3,175 3,178 7,180 1,182 9,187 1,189 6,191 1,193 13,195 1,196 2,197 1,198 5,200 2,201 4,204 5,205 1,207 8,210 1,212 4,215 4,218 4,220 2,221 3,223 1,224 2,226 2,229 3,231 2,233 2,234 4,236 1,237 1,239 2,241 7,243 2,245 2,246 2,248 2,249 2,251 1,254 5,260 1,262 1,263 1,265 4,270 1,273 984,274 17.317,275 17.317,276 17.317,277 17.317,278 17.317,279 15.644,280 24.239,281 10.076,282 17.76,283 13.726,284 13.726,285 13.726,286 13.726,287 13.726,288 11.127,289 31.883,290 4.7,291 14.523,292 3.901,293 1.684,294 0.823,295 0.641,296 0.641,297 0.641,298 3.983,299 1,300 1,301 1,302 1,303 590,304 2.739,307 263.228,314 1.651,315 28.682,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 56.833,327 280,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.4,335 11.076,336 3.094,337 4.184,338 3.112,339 6.048,340 3.732,341 2.799,342 3.815,344 8.676,345 2.596,346 3.681,347 2.833,348 5.41,349 3.55,350 2.6,351 3.014,353 7.143,354 2.46,355 3.597,356 2.387,357 5.302,358 3.189,359 2.261,360 2.712,362 6.614,363 2.092,364 3.301,365 2.385,366 5.038,367 3.034,368 2.093,369 2.549,371 5.704,372 1.955,373 3.22,374 2.226,375 4.888,376 2.932,377 1.985,378 2.351,380 5.688,381 1.875,382 3.095,383 1.965,384 4.756,385 2.678,386 1.731,387 2.24,389 4.931,390 1.631,391 2.876,392 1.804,393 4.232,394 2.447,395 1.523,396 1.969,398 3.951,399 1.356,400 2.288,401 1.077,402 3.414,403 1.984,404 1,405 1.038,407 2.275,408 0.983,409 2,410 0.854,411 3.329,412 1.7,413 0.727,414 1,415 1.691,416 0.699,417 1.749,418 0.738,419 3.235,420 1.544,421 0.572,422 0.648,423 1.123,424 0.547,425 1.394,426 0.459,427 2.75,428 1.067,429 0.165,430 0.191,431 0.319,432 0.136,433 1.114,434 0.134,435 2.549,436 0.856,437 -0.08,438 -0.089,439 -0.188,440 -0.073,441 0.873,442 -0.009,443 2.437,444 0.529,445 -0.352,446 -0.428,448 -0.816,449 -0.28,450 0.823,451 -0.305,452 2.248,453 0.436,454 -0.479,455 -0.588,457 -1.15,458 -0.437,459 12.348,460 0.475,461 0.698,462 0.027,463 31.75,464 1.221,465 15,466 0.577,467 16.75,468 0.644,469 23.216,470 0.893,471 29.052,472 0.605,473 23.407,474 0.9,475 5.942,476 0.229,477 6.532,478 0.251,479 0.19,481 0.356,485 0.885,486 1.251,487 0.692,488 0.969,489 1.055,490 0.922,491 0.693,492 1.132,493 0.672,494 0.993,495 0.605,496 0.942,497 1.202,498 1.14,499 0.885,500 0.89,501 1.081,502 0.879,503 1.086,504 1.19,505 0.981,506 1.023,507 1.029,508 1.015,509 1.013,510 1.129,511 0.87,512 0.9,513 0.96,514 0.978,515 0.75,516 1.007,517 0.878,518 0.949,519 0.759,520 1.005,521 0.77,522 0.919,523 1.275,524 1.122,525 0.686,526 1.031,527 1.198,528 0.886,529 1.863,530 1.332,531 1.054,532 1.215,533 6,534 0.111,535 3.111,536 2.063,537 1.68,538 0.993,539 0.648,540 0.385,541 0.361,542 0.141,543 7626,544 22115,545 2.014,546 45.8,547 3,548 8,551 5,552 2,554 4,555 1.692,556 1.857,557 3.372,558 2.634,559 1,560 1,564 80.832,565 1.684,566 3.901,567 4.762,568 4.944,569 4.944,570 4.944,571 2.863,572 3.873,573 4.671,574 3.53,575 1147.35,576 8.1,577 14304.4,579 1,581 1,582 268.078,583 1.502,584 4.615,585 0.214,586 0.007,587 0.08,588 0.05,589 0.045,590 0.029,591 0.02,592 0.013,593 0.016,594 0.007,595 0.481,597 1,598 0.819,599 127.173,600 -0.05,601 0.071,602 0.004,603 0.072,604 -0.167,605 0.052,606 0.121,607 0.039,608 0.1,609 0.031,610 0.136,611 0.05,612 -0.161,613 -0.097,614 0.032,615 0.074,616 -0.094,617 0.078,618 -0.058,619 -0.146,620 -0.058,621 -0.071,622 -0.033,623 -0.066,624 -0.143,625 -0.03,626 -0.075,627 -0.006,628 -0.134,629 -0.059,630 0.049,631 0.017,632 0.051,633 0.036,634 -0.006,635 -0.016,636 0.168,638 0.088,639 -0.032,640 0.11,641 0.013,642 -0.078,643 0.041,644 -0.277,645 -0.195,646 -0.106,647 -0.171,648 1.589,649 3.561,650 0.692,651 22.781,652 1.009,653 1.145,654 3.043,655 9.262,656 0.655,657 3.367,658 3.689,659 3.932,660 4.174,661 4.394,662 4.407,663 4.431,664 4.489,665 4.564,666 4.543,667 6.263,668 0.623,669 375.91,670 3.367,671 4.905,672 5.746,673 6.621,674 7.48,675 8.36,676 9.226,677 10.107,678 10.977,679 11.861,680 14.6,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 48,719 13,720 1,721 28,723 50,724 17,725 10,726 3,727 3,729 3,730 3,731 1,734 1,736 3,739 4,741 10,742 7,744 1,750 2,754 1,757 22,758 8,759 5,760 9,761 1,764 7,769 1,770 1,772 1,776 1,781 3,800 1,802 3,806 1,807 1,810 26,811 2,815 1,816 5,820 1,821 1,828 1,829 2.1,830 1,836 14,837 8.593,838 5.778,839 2.952,840 2.853,841 1.401,842 0.942,843 5.914,844 9.97,845 3.584,846 4.159,847 4.714,848 5.278,849 5.815,850 6.103,851 6.436,852 6.778,853 7.112,854 7.347,855 1,856 41,857 9.568,859 4.028,860 7.831,861 18.117,863 14.691,865 2.331,866 60.611,869 1,870 200.109,871 68.681,872 135.571,873 39.149,874 42.683,877 68.681,878 281.941,879 135.571,880 8.825,881 14.817,882 136.906,883 33.571,884 15.385,885 37.431,886 200.109,887 39.149,888 200.109,889 204.252,890 42.683,891 39.149,893 153.024,894 47.084,895 42.683,897 28.298,898 109.18,899 105.923,901 200.109,902 178.254,903 107.83,906 200.109,907 31.427,908 40.256,910 214.401,911 200.109,912 178.254,913 107.83,915 0.583,916 0.341,917 0.182,918 0.103,919 18,920 9,921 0.08,922 4,924 1,925 3.716,926 214.173,928 18,929 118.211,933 18.832,934 8.165,935 4.434,937 178.254,938 5.415,939 8.338,943 3.817,945 108.478,946 486.193,947 35,953 8.517,956 48.432,957 54.963,958 0.302,959 0.699,960 0.853,961 0.885,962 0.885,963 0.885,964 4.828,965 1.523,966 5.74,967 4.931,968 4.369,969 4.844,970 0.278,971 6.541,972 4.262,973 6.029,974 1,975 7.298,976 3.951,977 4.007,978 4.677,980 7.438,981 3.809,982 7.332,983 0.727,984 8.952,985 2.275,986 5.958,987 7.005,988 0.05,989 10.52,990 5.765,991 8.668,992 0.572,993 10.662,994 1.691,995 6.365,996 7.631,998 12.254,999 6.099,1000 10.035,1001 0.165,1002 12.41,1003 1.123,1004 7.816,1005 9.472,1006 0.008,1007 14.882,1008 7.551,1009 11.425,1010 -0.08,1011 14.185,1012 0.319,1013 8.59,1014 10.488,1016 16.995,1017 8.275,1018 12.833,1019 -0.352,1020 15.981,1021 -0.188,1022 9.84,1023 12.116,1024 0.001,1025 19.468,1026 9.518,1027 3.171,1028 -0.479,1029 17.795,1030 -0.816,1031 10.798,1032 13.335,1034 21.748,1035 10.443,1036 2.799,1037 11.076,1038 19.625,1039 -1.15,1040 11.969,1041 14.863,1043 24.168,1044 11.6,1045 2.6,1046 8.676,1047 21.467,1048 4.257,1049 13.017,1050 16.185,1052 26.519,1053 12.625,1054 2.261,1055 7.143,1056 23.319,1057 3.815,1058 14.159,1059 17.664,1061 28.923,1062 13.752,1063 2.093,1064 6.614,1065 25.181,1066 3.014,1067 15.252,1068 19.04,1070 31.303,1071 14.825,1072 1.985,1073 5.704,1074 27.051,1075 2.712,1076 16.387,1077 20.496,1079 33.704,1080 15.943,1081 1.731,1082 5.688,1083 28.926,1084 2.549,1085 17.503,1086 21.901,1088 36.097,1089 17.042,1090 7506,1091 12922,1092 18.205,1093 31.444,1094 41.84,1095 41.866,1096 43.556,1097 41.463,1098 41.257,1099 51.565,1100 0.8,1101 118.383,1102 38.844,1103 5.535,1104 5.278,1105 6.292,1106 5.216,1107 5.171,1108 7.257,1109 0.8,1110 17.964,1111 5.094,1112 14.692,1113 1.494,1114 1.495,1115 1.556,1116 1.481,1117 1.473,1118 1.842,1119 0.029,1120 4.228,1121 1.387,1122 4.016,1123 4.052,1124 4.056,1125 3.936,1126 6.449,1127 3.94,1128 3.839,1129 3.903,1130 3.824,1131 3.662,1132 5.287,1133 3.669,1134 3.753,1135 3.796,1136 3.714,1137 3.625,1138 5.038,1139 3.634,1140 3.392,1141 3.485,1142 3.297,1143 3.194,1144 4.975,1145 3.185,1146 3.231,1147 3.316,1148 3.204,1149 2.941,1150 4.716,1151 2.971,1152 3.111,1153 3.208,1154 3.163,1155 2.929,1156 4.465,1157 2.91,1158 3.099,1159 3.206,1160 2.907,1161 2.858,1162 4.227,1163 2.876,1164 2.911,1165 2.985,1166 2.866,1167 2.705,1168 4.056,1169 2.709,1170 0.162,1171 0.117,1172 0.242,1173 0.148,1174 0.113,1175 4.535,1176 0.152,1177 3.278,1178 0.014,1179 6.77,1180 0.396,1181 4.146,1182 0.111,1183 3.171,1184 4.257,1185 0.4,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.027,1191 2.067,1192 1.355,1193 2.056,1194 1.795,1195 1.735,1196 2.003,1197 2.002,1198 1.189,1199 2.003,1200 1.702,1201 1.66,1202 1.849,1203 1.854,1204 1.004,1205 1.853,1206 1.382,1207 1.297,1208 1.615,1209 1.633,1210 0.825,1211 1.653,1212 1.153,1213 1.064,1214 1.513,1215 1.439,1216 0.597,1217 1.429,1218 1.086,1219 1.005,1220 1.305,1221 1.376,1222 0.506,1223 1.395,1224 1,1225 0.921,1226 1.266,1227 1.367,1228 0.182,1229 1.35,1230 0.873,1231 0.806,1232 1.14,1233 1.131,1234 0.128,1235 1.126,1236 4.043,1238 5.361,1240 6.876,1242 8.484,1244 10.14,1246 1.978,1247 6.268,1250 11.768,1251 9.561,1252 3.376,1256 -0.255,1257 1.827,1262 29.907,1263 80.832,1264 187.265,1265 228.568,1266 237.323,1267 237.323,1268 237.323,1269 50.899,1270 7.117,1271 126.01,1272 126.01,1273 18,1274 12.397,1275 3.807,1276 3,1277 44.318,1278 98,1279 108,1280 0.224,1281 191.057,1282 326.3,1283 457.94,1284 11349,1285 2.1,1286 18.681,1287 0.719,1288 0.589,1289 19.181,1290 15.317,1291 12.474,1292 0.445,1293 0.319,1294 8.448,1295 11.676,1296 8.241,1297 6.816,1298 12.762,1299 8.918,1300 11.313,1301 0.29,1302 0.169,1303 11.684,1304 6.59,1305 9.234,1306 0.185,1307 0.093,1308 9.614,1309 4.638,1310 7.586,1311 0.119,1312 0.048,1313 7.821,1314 3.07,1315 6.148,1316 0.077,1317 0.027,1318 6.39,1319 2.132,1320 0.35,1321 81.509,1322 0.234,1323 25.069,1324 0.618,1325 134,1326 393.203,1327 163.585,1328 415.887,1329 560.05,1330 386,1331 156,1332 400.567,1333 181.88,1334 411.926,1335 598.21,1336 388,1337 5.143}
{0 CHEMBL56652,1 1.378,2 9.273,3 2.887,4 8.332,5 93.755,6 6.61,7 0.5,8 3.886,9 4.039,10 3.35,11 3.395,12 4.923,13 3.354,14 4.428,15 4.641,16 3.711,17 3.808,18 5.388,19 3.734,20 4.688,21 4.919,22 3.786,23 4.004,24 5.562,25 3.901,26 4.811,27 5.063,28 3.672,29 4.048,30 5.683,31 3.893,32 4.832,33 5.121,34 3.51,35 3.97,36 5.6,37 3.783,38 4.679,39 4.977,40 3.317,41 3.771,42 5.452,43 3.583,44 4.516,45 4.832,46 3.223,47 3.571,48 5.238,49 3.396,50 4.302,51 4.586,52 3.205,53 3.398,54 5.208,55 3.269,56 0.063,57 0.701,58 10.658,59 3.773,60 10.78,61 5.795,62 0.219,63 1.098,64 18.862,65 6.827,66 23.413,67 10.205,68 0.183,69 1.347,70 24.536,71 8.504,72 20.936,73 13.157,74 0.248,75 1.42,76 27.872,77 10.168,78 35.648,79 15.356,80 0.202,81 1.331,82 28.652,83 10.309,84 32.24,85 15.81,86 0.195,87 1.122,88 24.753,89 8.371,90 29.381,91 13.127,92 0.148,93 0.927,94 21.059,95 7.067,96 21.888,97 11.177,98 0.213,99 0.819,100 17.132,101 5.143,102 22.222,103 8.314,104 18,105 34,106 0.241,107 0.601,108 0.803,109 0.875,110 0.875,111 0.875,112 3.147,113 0.978,114 -4.5,115 -4.43,116 -4.17,119 37.8,120 2,121 2,122 1,125 2,139 3,140 3,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 9,169 1,170 6,172 3,173 3,175 1,178 11,180 1,182 5,187 1,189 10,191 1,193 4,195 1,196 1,197 1,198 2,200 2,201 11,204 2,205 1,207 5,212 3,215 8,218 3,221 5,226 3,229 4,231 3,234 2,239 3,241 1,243 3,245 2,246 4,248 1,249 1,251 4,254 1,256 4,265 1,270 1,273 584,274 14.748,275 14.748,276 14.748,277 14.748,278 14.748,279 13.245,280 24.467,281 8.494,282 15.071,283 11.754,284 11.754,285 11.754,286 11.754,287 11.754,288 9.47,289 33.884,290 3.937,291 12.243,292 4.114,293 2.047,294 0.895,295 0.478,296 0.478,297 0.478,298 3.826,300 1,301 1,302 1,303 434,304 2.449,307 173.42,311 90.663,314 1.364,315 14.471,316 1,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 46.5,327 204,328 4.422,329 3.379,330 6.683,331 4.123,332 3.147,333 4.02,334 0.8,335 10.774,336 3.078,337 4.234,338 3.093,339 6.092,340 3.834,341 2.873,342 3.869,343 0.68,344 8.865,345 2.767,346 3.682,347 2.648,348 5.619,349 3.351,350 2.393,351 3.005,353 7.301,354 2.296,355 3.408,356 2.516,357 5.27,358 3.214,359 2.246,360 2.701,362 6.612,363 2.168,364 3.333,365 2.186,366 4.923,367 2.981,368 2.043,369 2.44,371 5.664,372 1.905,373 2.871,374 1.792,375 4.608,376 2.633,377 1.659,378 1.974,380 4.582,381 1.612,382 2.788,383 1.531,384 4.126,385 2.34,386 1.403,387 1.855,389 3.636,390 1.311,391 2.453,392 1.127,393 3.768,394 2.083,395 1.09,396 1.439,398 2.714,399 1.082,400 1.657,401 0.709,402 3.092,403 1.57,404 0.592,405 0.611,407 1.037,408 0.578,409 1.614,410 0.649,411 2.958,412 1.355,413 0.402,414 0.479,415 0.977,416 0.382,417 1.139,418 0.089,419 2.563,420 0.907,421 -0.065,422 -0.072,423 -0.126,424 -0.063,425 0.804,426 -0.218,427 2.38,428 0.605,429 -0.369,430 -0.425,431 -0.834,432 -0.359,433 0.782,434 -0.314,435 2.358,436 0.393,437 -0.514,438 -0.621,439 -1.242,440 -0.466,441 0.628,442 -0.494,443 2.257,444 0.275,445 -0.71,446 -0.865,448 -2.055,449 -0.697,450 0.401,451 -0.813,452 2.081,453 0.051,454 -0.929,455 -1.138,457 -2.605,458 -0.909,459 10.5,460 0.477,461 0.592,462 0.027,463 27.75,464 1.261,465 13.5,466 0.614,467 14.25,468 0.648,469 18.77,470 0.853,471 24.3,472 0.54,473 17.861,474 0.812,475 5.063,476 0.23,477 5.516,478 0.251,479 0.171,481 0.371,485 1.139,486 1.363,487 0.945,488 1.097,489 1.278,490 1.015,491 0.699,492 0.963,493 0.844,494 0.958,495 0.393,496 0.924,497 1.043,498 1.111,499 1.018,500 1.058,501 0.725,502 1.039,503 0.828,504 1.054,505 1.142,506 1.207,507 0.817,508 1.21,509 0.707,510 1.006,511 0.987,512 1.096,513 0.71,514 1.077,515 0.838,516 1.011,517 1.001,518 1.064,519 0.862,520 1.053,521 0.597,522 0.978,523 0.724,524 0.903,525 0.618,526 0.84,527 0.883,528 1.083,529 0.932,530 1.03,531 1.054,532 0.994,533 5,534 0.062,535 2.889,536 1.625,537 1.631,538 0.59,539 0.444,540 0.345,541 0.181,542 0.159,543 4760,544 10380,545 2.043,546 51.1,547 6,548 7,550 1,551 4,553 5,555 1.645,556 1.886,557 3.182,558 1.825,559 1,560 1,562 1,564 61.995,565 1.378,566 3.445,567 4.597,568 5.014,569 5.014,570 5.014,571 2.652,572 3.88,573 4.432,574 3.3,575 762.252,576 7.611,577 8250.24,579 1,581 1,582 247.133,583 1.495,584 4.376,585 0.208,586 0.008,587 0.085,588 0.045,589 0.054,590 0.024,591 0.022,592 0.018,593 0.01,594 0.012,595 0.487,596 0.33,597 1,598 0.853,599 100.579,600 -0.104,601 -0.073,602 0.036,603 0.028,604 -0.186,605 0.045,606 0.283,607 0.186,608 0.135,609 0.109,610 0.327,611 0.106,612 -0.12,613 -0.016,614 -0.049,615 -0.006,616 -0.01,617 -0.018,618 -0.023,619 -0.026,620 -0.189,621 -0.162,622 0.012,623 -0.19,624 -0.011,625 -0.085,626 -0.042,627 -0.076,628 0.022,629 -0.065,630 -0.035,631 -0.099,632 -0.044,633 -0.076,634 -0.03,635 -0.063,636 0.149,637 -0.125,638 0.233,639 0.074,640 0.139,641 0.149,642 0.258,643 -0.103,644 0.065,645 -0.092,646 0.069,647 -0.044,648 1.445,649 1.939,650 0.727,651 16.413,652 0.988,653 1.138,654 3.273,655 10.713,656 0.642,657 3.219,658 3.555,659 3.829,660 4.078,661 4.331,662 4.331,663 4.394,664 4.5,665 4.625,666 4.595,667 5.406,668 0.597,669 297.45,670 3.219,671 4.762,672 5.617,673 6.5,674 7.372,675 8.257,676 9.136,677 10.021,678 10.903,679 11.789,680 11.1,684 2,686 1,690 2,695 4,696 2,700 6,702 12,711 2,714 1,718 45,719 12,720 1,721 24,723 47,724 17,725 10,726 3,727 3,729 3,730 4,734 2,736 1,737 1,739 2,741 10,742 7,743 1,753 1,754 1,757 23,758 5,759 4,760 5,764 5,769 0.667,776 1,781 3,785 1,802 2,806 2,810 22,811 2,816 4,820 1,821 1,836 11.667,837 8.433,838 4.861,839 2.869,840 2.281,841 1.328,842 0.987,843 4.209,844 9.238,845 3.434,846 4.025,847 4.57,848 5.101,849 5.635,850 5.76,851 6.034,852 6.392,853 6.751,854 6.991,855 1,856 36,857 8.107,859 3.374,860 7.561,861 15.884,863 13.165,865 2.061,866 45.333,867 0.001,869 1,870 223.651,871 80.948,872 102.49,877 80.948,878 223.651,879 102.49,880 17.65,881 9.28,882 94.223,883 45.342,884 24.485,885 4.227,886 211.88,888 223.651,889 183.437,893 164.795,894 58.856,897 37.877,898 111.989,899 33.571,901 223.651,902 102.49,903 80.948,906 223.651,907 25.821,908 58.251,910 99.365,911 223.651,912 102.49,913 80.948,915 0.586,916 0.351,917 0.188,918 0.106,919 17,920 8,921 0.064,922 3,923 1,924 1.125,925 3.366,926 173.293,927 0.125,928 16,929 98.107,933 15.104,934 6.131,935 3.051,937 102.49,938 8.435,939 8.076,943 5.646,945 65.794,946 407.088,947 30,956 44.461,957 51.228,958 0.251,959 0.627,960 0.837,961 0.913,962 0.913,963 0.913,964 4.682,965 1.09,966 5.617,967 3.636,968 4.234,969 4.71,970 1.059,971 6.438,972 4.162,973 5.885,974 0.592,975 7.188,976 2.714,977 3.892,978 4.543,979 0.325,980 7.357,981 3.784,982 7.193,983 0.402,984 8.855,985 1.037,986 5.844,987 6.866,988 0.636,989 10.443,990 5.709,991 8.532,992 -0.065,993 10.576,994 0.977,995 6.275,996 7.46,997 0.268,998 12.166,999 6.112,1000 9.901,1001 -0.369,1002 12.333,1003 -0.126,1004 7.725,1005 9.302,1006 0.384,1007 14.787,1008 7.54,1009 11.29,1010 -0.514,1011 14.114,1012 -0.834,1013 8.52,1014 10.258,1015 0.188,1016 16.863,1017 8.309,1018 12.696,1019 -0.71,1020 15.914,1021 -1.242,1022 9.77,1023 11.883,1024 0.232,1025 19.319,1026 9.538,1027 3.147,1028 -0.929,1029 17.728,1030 -2.055,1031 10.74,1032 13.028,1033 0.125,1034 21.556,1035 10.485,1036 2.873,1037 10.774,1038 19.554,1039 -2.605,1040 11.91,1041 14.543,1042 0.14,1043 23.953,1044 11.634,1045 2.393,1046 8.865,1047 21.39,1048 4.02,1049 12.963,1050 15.791,1051 0.082,1052 26.262,1053 12.666,1054 2.246,1055 7.301,1056 23.235,1057 3.869,1058 14.104,1059 17.246,1060 0.085,1061 28.638,1062 13.785,1063 2.043,1064 6.612,1065 25.086,1066 3.005,1067 15.196,1068 18.55,1069 0.054,1070 30.981,1071 14.857,1072 1.659,1073 5.664,1074 26.943,1075 2.701,1076 16.327,1077 19.972,1078 0.052,1079 33.352,1080 15.967,1081 1.403,1082 4.582,1083 28.805,1084 2.44,1085 17.44,1086 21.308,1087 0.035,1088 35.71,1089 17.058,1090 4689,1091 7055,1092 15.72,1093 28.881,1094 35.922,1095 35.89,1096 37.609,1097 35.719,1098 35.694,1099 44.786,1100 2.96,1101 104.324,1102 34.354,1103 5.37,1104 5.379,1105 6.226,1106 5.192,1107 5.147,1108 7.02,1109 1.48,1110 17.915,1111 5.078,1112 11.68,1113 1.497,1114 1.495,1115 1.567,1116 1.488,1117 1.487,1118 1.866,1119 0.123,1120 4.347,1121 1.431,1122 4.044,1123 4.082,1124 3.985,1125 3.969,1126 5.291,1127 3.968,1128 3.853,1129 3.91,1130 3.809,1131 3.695,1132 4.979,1133 3.715,1134 3.575,1135 3.638,1136 3.453,1137 3.441,1138 4.733,1139 3.436,1140 3.46,1141 3.543,1142 3.269,1143 3.291,1144 4.444,1145 3.274,1146 3.168,1147 3.263,1148 3.04,1149 2.965,1150 4.19,1151 2.972,1152 3.109,1153 3.215,1154 2.863,1155 2.909,1156 4.03,1157 2.884,1158 2.984,1159 3.105,1160 2.818,1161 2.68,1162 3.757,1163 2.698,1164 2.813,1165 2.913,1166 2.64,1167 2.615,1168 3.723,1169 2.606,1170 0.184,1171 0.141,1172 0.278,1173 0.172,1174 0.131,1175 4.422,1176 0.167,1177 3.379,1178 0.033,1179 6.683,1180 0.449,1181 4.123,1182 0.128,1183 3.147,1184 4.02,1185 0.8,1186 10.774,1187 3.078,1188 2.009,1189 1.98,1190 2.126,1191 2.11,1192 1.413,1193 2.118,1194 1.788,1195 1.74,1196 1.917,1197 1.976,1198 1.136,1199 1.956,1200 1.564,1201 1.506,1202 1.8,1203 1.739,1204 0.992,1205 1.758,1206 1.48,1207 1.398,1208 1.736,1209 1.683,1210 0.82,1211 1.72,1212 1.152,1213 1.06,1214 1.53,1215 1.41,1216 0.698,1217 1.452,1218 1.111,1219 1.026,1220 1.365,1221 1.391,1222 0.39,1223 1.396,1224 0.899,1225 0.787,1226 1.229,1227 1.27,1228 0.257,1229 1.277,1230 0.807,1231 0.72,1232 1.132,1233 1.073,1234 0.158,1235 1.098,1236 3.892,1238 5.22,1240 6.756,1242 8.388,1244 10.069,1246 4.51,1250 11.492,1252 4.135,1256 0.595,1257 2.444,1262 26.848,1263 61.995,1264 155.02,1265 206.869,1266 225.624,1267 225.624,1268 225.624,1269 29.256,1270 6.957,1271 81.06,1272 81.06,1273 18,1274 12.321,1275 3.7,1276 2.807,1277 34.504,1278 72,1279 70,1280 0.243,1281 168.067,1282 282.94,1283 401.844,1284 8879,1286 15.69,1287 0.713,1288 0.601,1289 15.69,1290 13.212,1291 10.58,1292 0.441,1293 0.326,1294 7.749,1295 10.265,1296 7.491,1297 6.255,1298 10.58,1299 7.828,1300 9.621,1301 0.283,1302 0.176,1303 9.621,1304 5.978,1305 8.162,1306 0.181,1307 0.1,1308 8.162,1309 4.489,1310 6.692,1311 0.115,1312 0.054,1313 6.692,1314 3.141,1315 5.57,1316 0.074,1317 0.031,1318 5.57,1319 2.338,1320 0.375,1321 65.493,1322 0.252,1323 21.507,1324 0.681,1325 116,1326 265.56,1327 124.465,1328 268.713,1329 379.1,1330 252,1331 137,1332 292.789,1333 145.16,1334 300.458,1335 438.05,1336 283,1337 4.42}
{0 CHEMBL56709,1 1.716,2 10,3 2.595,4 6.734,5 100.572,6 7.952,7 0.48,8 3.881,9 4.027,10 3.474,11 3.33,12 5.09,13 3.322,14 4.352,15 4.555,16 3.814,17 3.68,18 5.505,19 3.645,20 4.553,21 4.772,22 3.947,23 3.813,24 5.698,25 3.772,26 4.572,27 4.783,28 3.919,29 3.822,30 5.781,31 3.771,32 4.645,33 4.873,34 3.831,35 3.831,36 5.805,37 3.764,38 4.678,39 4.94,40 3.824,41 3.841,42 5.717,43 3.72,44 4.608,45 4.871,46 3.809,47 3.717,48 5.7,49 3.578,50 4.356,51 4.595,52 3.535,53 3.461,54 5.517,55 3.334,56 0.146,57 0.674,58 8.897,59 3.312,60 17.928,61 4.684,62 0.311,63 0.955,64 16.782,65 5.543,66 31.739,67 7.986,68 0.438,69 1.091,70 23.028,71 5.737,72 41.723,73 9.028,74 0.412,75 1.125,76 23.078,77 6.126,78 46.523,79 9.518,80 0.499,81 1.159,82 23.421,83 5.916,84 58.586,85 9.572,86 0.408,87 1.072,88 26.719,89 7.797,90 48.889,91 11.86,92 0.533,93 0.855,94 32.653,95 7.672,96 58.607,97 11.438,98 0.495,99 0.664,100 26.334,101 5.98,102 51.233,103 8.362,104 45,105 34,106 0.301,107 0.692,108 0.845,109 0.88,110 0.88,111 0.88,112 3.228,113 0.935,114 -3.79,115 -3.75,116 -3.57,119 34.1,120 1,121 1,124 1,125 2,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 4,172 3,173 3,175 1,178 6,180 1,182 7,185 1,187 1,189 6,191 1,193 11,195 1,196 2,197 1,198 5,200 2,201 4,204 5,205 1,207 8,210 1,212 4,215 4,218 4,220 2,221 3,223 1,224 1,226 2,229 1,231 2,233 2,234 4,236 1,237 1,239 3,241 1,243 2,245 2,246 2,248 2,249 2,251 3,254 1,260 1,262 1,263 1,265 3,270 1,273 832,274 15.878,275 15.878,276 15.878,277 15.878,278 15.878,279 14.205,280 19.811,281 9.406,282 16.312,283 12.208,284 12.208,285 12.208,286 12.208,287 12.208,288 9.599,289 23.719,290 4.28,291 12.983,292 3.743,293 1.512,294 0.642,295 0.443,296 0.443,297 0.443,298 3.887,299 1,300 1,301 1,302 1,303 485,304 3.391,307 164.619,314 1.5,315 26.038,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 52.833,327 240,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.4,335 11.076,336 3.094,337 4.183,338 3.111,339 6.047,340 3.725,341 2.794,342 3.814,344 8.672,345 2.583,346 3.636,347 2.598,348 5.304,349 3.298,350 2.354,351 3.012,353 6.625,354 2.22,355 3.463,356 2.385,357 5.038,358 3.168,359 2.246,360 2.582,362 6.041,363 2.055,364 3.3,365 2.226,366 5.024,367 2.932,368 1.985,369 2.546,371 5.702,372 1.876,373 3.105,374 1.97,375 4.756,376 2.68,377 1.732,378 2.315,380 4.931,381 1.634,382 2.908,383 1.815,384 4.226,385 2.459,386 1.537,387 2.02,389 3.94,390 1.365,391 2.378,392 1.498,393 3.329,394 2.027,395 1.089,396 1.245,398 1.993,399 1.013,400 1.881,401 0.838,402 3.287,403 1.554,404 0.603,405 0.741,407 1.206,408 0.555,409 1.744,410 0.66,411 2.803,412 1.486,413 0.526,414 0.63,415 1.006,416 0.502,417 1.384,418 0.401,419 2.741,420 1.038,421 0.126,422 0.151,423 0.245,424 0.107,425 1.075,426 0.028,427 2.448,428 0.632,429 -0.244,430 -0.298,431 -0.574,432 -0.192,433 0.825,434 -0.123,435 2.261,436 0.438,437 -0.478,438 -0.585,439 -0.916,440 -0.437,441 0.672,442 -0.305,443 2.216,444 0.309,445 -0.572,446 -0.595,448 -1.149,449 -0.493,450 0.428,451 -0.559,452 1.905,453 0.208,454 -0.742,455 -0.895,457 -1.912,458 -0.69,459 11.348,460 0.473,461 0.63,462 0.026,463 30.25,464 1.26,465 15,466 0.625,467 15.25,468 0.635,469 19.657,470 0.819,471 27.052,472 0.615,473 23.034,474 0.96,475 6.027,476 0.251,477 5.429,478 0.226,479 0.251,481 0.344,485 0.913,486 1.314,487 0.692,488 0.99,489 1.101,490 0.936,491 0.775,492 1.021,493 0.649,494 0.835,495 0.675,496 0.816,497 1.073,498 1.143,499 0.889,500 0.832,501 0.932,502 0.828,503 0.889,504 1.286,505 0.974,506 1.123,507 0.716,508 1.065,509 1.154,510 1.189,511 0.93,512 0.993,513 1.226,514 1.089,515 0.724,516 1.027,517 0.843,518 0.981,519 0.736,520 1.021,521 0.809,522 0.929,523 1.32,524 1.191,525 0.738,526 1.06,527 1.188,528 0.889,529 1.697,530 1.324,531 1.133,532 1.199,533 5.5,534 0.099,535 2.889,536 2.188,537 1.498,538 0.958,539 0.649,540 0.361,541 0.304,542 0.131,543 5449,544 17990,545 1.925,546 45.5,547 3,548 10,551 5,552 2,555 1.672,556 1.756,557 3.268,558 2.743,559 1,560 1,564 75.522,565 1.716,566 3.947,567 4.817,568 5.016,569 5.016,570 5.016,571 2.709,572 4.168,573 4.552,574 3.411,575 941.518,576 7.877,577 11027.7,579 1,581 1,582 240.215,583 1.555,584 4.483,585 0.22,586 0.009,587 0.085,588 0.059,589 0.042,590 0.03,591 0.022,592 0.014,593 0.016,594 0.008,595 0.506,596 0.17,597 1,598 1.754,599 113.682,600 -0.068,601 0.022,602 -0.004,603 0.046,604 -0.213,605 0.031,606 0.086,607 0.14,608 0.14,609 0.172,610 0.104,611 0.164,612 -0.116,613 -0.034,614 0.04,615 0.144,616 -0.092,617 0.126,618 -0.008,619 -0.15,620 -0.069,621 -0.135,622 0.08,623 -0.103,624 -0.213,625 -0.077,626 -0.162,627 -0.078,628 -0.234,629 -0.168,630 0.025,631 -0.041,632 0.072,633 0.012,634 -0.021,635 -0.014,636 0.165,637 -0.06,638 0.058,639 -0.102,640 0.127,641 -0.013,642 0.037,643 0.003,644 -0.193,645 -0.23,646 -0.003,647 -0.182,648 1.521,649 2.884,650 0.5,651 20.556,652 1.012,653 1.149,654 2.563,655 6.567,656 0.652,657 3.258,658 3.555,659 3.784,660 4.025,661 4.205,662 4.263,663 4.29,664 4.29,665 4.29,666 4.174,667 5.811,668 0.622,669 349.87,670 3.258,671 4.779,672 5.609,673 6.482,674 7.336,675 8.217,676 9.083,677 9.969,678 10.84,679 11.729,680 15.9,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 44,719 13,720 1,721 25,723 45,724 15,725 10,726 3,727 3,729 2,730 2,731 1,734 2,739 1,741 10,742 5,744 1,750 2,753 1,754 1,757 20,758 8,759 5,760 9,761 1,764 7,769 1,770 1,771 1,776 1,781 2,800 1,802 2,806 2,807 1,810 24,811 2,815 1,816 3,821 1,828 1,829 2.3,830 1,836 13.667,837 8.26,838 5.528,839 2.502,840 2.721,841 1.409,842 0.925,843 6.314,844 9.375,845 3.497,846 4.078,847 4.649,848 5.226,849 5.766,850 6.058,851 6.387,852 6.709,853 7.017,854 7.206,855 0.857,856 37,857 8.767,859 3.546,860 7.928,861 16.325,863 12.512,865 2.428,866 58.278,869 1,870 176.567,871 69.903,872 135.571,873 39.149,874 42.683,877 69.903,878 258.399,879 135.571,880 17.222,881 7.642,882 136.906,883 33.571,884 15.385,885 37.431,886 176.567,887 39.149,888 176.567,889 205.474,890 42.683,891 39.149,893 176.567,895 42.683,897 21.123,898 117.576,899 105.923,901 176.567,902 178.254,903 109.051,906 176.567,907 24.253,908 48.652,910 214.401,911 176.567,912 178.254,913 109.051,915 0.57,916 0.334,917 0.182,918 0.096,919 14,920 8,921 0.133,922 6,924 1,925 3.447,926 185.164,928 12,929 110.039,933 18.391,934 8.239,935 4.546,937 178.254,938 5.304,939 8.274,943 3.637,945 108.478,946 463.872,947 32,953 8.105,956 44.549,957 50.548,958 0.314,959 0.723,960 0.882,961 0.919,962 0.919,963 0.919,964 4.718,965 1.089,966 5.602,967 3.94,968 4.234,969 4.762,970 0.278,971 6.409,972 4.12,973 5.931,974 0.603,975 7.165,976 1.993,977 3.892,978 4.62,980 7.338,981 3.696,982 7.238,983 0.526,984 8.827,985 1.206,986 5.82,987 6.959,988 0.05,989 10.43,990 5.621,991 8.583,992 0.126,993 10.548,994 1.006,995 6.256,996 7.602,998 12.195,999 5.994,1000 9.959,1001 -0.244,1002 12.307,1003 0.245,1004 7.69,1005 9.448,1006 0.008,1007 14.832,1008 7.424,1009 11.357,1010 -0.478,1011 14.093,1012 -0.574,1013 8.494,1014 10.474,1016 16.964,1017 8.186,1018 12.774,1019 -0.572,1020 15.901,1021 -0.916,1022 9.737,1023 12.106,1024 0.001,1025 19.444,1026 9.419,1027 3.171,1028 -0.742,1029 17.726,1030 -1.149,1031 10.718,1032 13.329,1034 21.733,1035 10.372,1036 2.794,1037 11.076,1038 19.566,1039 -1.912,1040 11.888,1041 14.858,1043 24.157,1044 11.527,1045 2.354,1046 8.672,1047 21.416,1048 4.257,1049 12.953,1050 16.182,1052 26.512,1053 12.571,1054 2.246,1055 6.625,1056 23.277,1057 3.814,1058 14.097,1059 17.662,1061 28.918,1062 13.7,1063 1.985,1064 6.041,1065 25.146,1066 3.012,1067 15.202,1068 19.039,1070 31.3,1071 14.785,1072 1.732,1073 5.702,1074 27.021,1075 2.582,1076 16.34,1077 20.495,1079 33.702,1080 15.907,1081 1.537,1082 4.931,1083 28.902,1084 2.546,1085 17.464,1086 21.9,1088 36.095,1089 17.013,1090 5678,1091 10430,1092 15.72,1093 28.682,1094 36.87,1095 37.072,1096 38.811,1097 36.527,1098 36.325,1099 46.626,1100 0.8,1101 102.874,1102 34.009,1103 5.281,1104 5.278,1105 6.544,1106 5.216,1107 5.171,1108 7.257,1109 0.8,1110 17.964,1111 5.094,1112 15.221,1113 1.475,1114 1.483,1115 1.552,1116 1.461,1117 1.453,1118 1.865,1119 0.032,1120 4.115,1121 1.36,1122 4.013,1123 4.047,1124 4.054,1125 3.934,1126 6.456,1127 3.938,1128 3.771,1129 3.826,1130 3.824,1131 3.629,1132 5.287,1133 3.643,1134 3.633,1135 3.708,1136 3.528,1137 3.384,1138 5.039,1139 3.401,1140 3.392,1141 3.485,1142 3.291,1143 3.193,1144 4.975,1145 3.185,1146 3.217,1147 3.3,1148 3.204,1149 2.929,1150 4.72,1151 2.95,1152 3.106,1153 3.214,1154 3.078,1155 2.877,1156 4.465,1157 2.883,1158 2.973,1159 3.07,1160 2.907,1161 2.773,1162 4.225,1163 2.766,1164 2.875,1165 2.958,1166 2.802,1167 2.62,1168 3.966,1169 2.639,1170 0.181,1171 0.131,1172 0.271,1173 0.166,1174 0.127,1175 4.535,1176 0.17,1177 3.278,1178 0.016,1179 6.77,1180 0.443,1181 4.146,1182 0.124,1183 3.171,1184 4.257,1185 0.4,1186 11.076,1187 3.094,1188 1.957,1189 1.935,1190 2.023,1191 2.064,1192 1.189,1193 2.053,1194 1.708,1195 1.664,1196 1.856,1197 1.9,1198 1.037,1199 1.882,1200 1.561,1201 1.483,1202 1.814,1203 1.811,1204 1.002,1205 1.817,1206 1.381,1207 1.296,1208 1.615,1209 1.633,1210 0.608,1211 1.652,1212 1.153,1213 1.058,1214 1.53,1215 1.48,1216 0.594,1217 1.491,1218 1.012,1219 0.935,1220 1.267,1221 1.372,1222 0.183,1223 1.356,1224 0.929,1225 0.858,1226 1.152,1227 1.2,1228 0.128,1229 1.185,1230 0.81,1231 0.712,1232 1.116,1233 1.098,1234 0.068,1235 1.118,1236 3.932,1238 5.231,1240 6.73,1242 8.33,1244 9.986,1246 3.67,1247 6.179,1250 11.688,1251 8.884,1252 1.021,1257 1.515,1262 27.38,1263 75.522,1264 173.686,1265 211.95,1266 220.705,1267 220.705,1268 220.705,1269 49.097,1270 6.654,1271 126.01,1272 126.01,1273 12,1274 12.262,1275 3.807,1276 3,1277 48.282,1278 82,1279 100,1280 0.293,1281 179.266,1282 304.06,1283 429.169,1284 5803,1285 2.3,1286 17.69,1287 0.737,1288 0.597,1289 18.19,1290 14.325,1291 11.456,1292 0.458,1293 0.312,1294 7.313,1295 10.631,1296 7.064,1297 5.915,1298 11.745,1299 7.791,1300 10.081,1301 0.297,1302 0.162,1303 10.452,1304 5.51,1305 7.964,1306 0.185,1307 0.085,1308 8.344,1309 3.647,1310 6.654,1311 0.121,1312 0.042,1313 6.889,1314 2.331,1315 4.967,1316 0.075,1317 0.023,1318 5.209,1319 1.49,1320 0.452,1321 75.617,1322 0.252,1323 23.272,1324 0.822,1325 118,1326 377.203,1327 146.587,1328 399.379,1329 532.37,1330 370,1331 136,1332 373.457,1333 160.772,1334 387.055,1335 557.77,1336 362,1337 4.554}
{0 CHEMBL56719,1 1.617,2 9.292,3 2.029,4 4.116,5 93.559,6 7.568,7 0.654,8 3.873,9 3.998,10 3.444,11 3.349,12 5.068,13 3.356,14 4.357,15 4.534,16 3.791,17 3.704,18 5.5,19 3.698,20 4.474,21 4.625,22 3.892,23 3.862,24 5.621,25 3.845,26 4.646,27 4.844,28 3.858,29 3.917,30 5.735,31 3.858,32 4.7,33 4.911,34 3.789,35 3.909,36 5.723,37 3.833,38 4.673,39 4.89,40 3.615,41 3.832,42 5.67,43 3.733,44 4.658,45 4.928,46 3.533,47 3.683,48 5.599,49 3.566,50 4.42,51 4.678,52 3.43,53 3.464,54 5.517,55 3.373,56 0.069,57 0.656,58 8.742,59 3.468,60 11.64,61 4.59,62 0.312,63 0.969,64 16.394,65 5.913,66 28.389,67 7.773,68 0.237,69 1.143,70 17.022,71 6.21,72 22.426,73 8.398,74 0.32,75 1.233,76 21.902,77 7.929,78 36.595,79 10.955,80 0.434,81 1.225,82 24.269,83 8.361,84 38.758,85 11.606,86 0.368,87 1.175,88 23.669,89 7.828,90 37.941,91 10.953,92 0.486,93 1.04,94 25.794,95 8.118,96 42.674,97 12.045,98 0.431,99 0.886,100 19.55,101 5.839,102 41.274,103 8.856,104 30,105 37,106 0.282,107 0.647,108 0.787,109 0.831,110 0.839,111 0.863,112 3.229,113 0.855,114 -3.08,115 -3.08,116 -2.96,119 39.5,120 1,121 1,124 2,139 3,140 3,141 2,142 1,143 2,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 8,172 3,173 3,175 1,178 7,180 1,181 1,182 7,187 1,189 5,191 1,192 1,193 7,195 1,196 1,197 1,198 2,200 2,201 3,204 2,205 1,206 1,207 10,212 3,215 4,218 3,221 4,226 2,229 2,231 2,233 2,236 1,237 1,239 2,241 1,243 2,245 4,246 2,248 2,249 2,251 2,254 1,256 2,262 1,263 1,273 746,274 16.066,275 16.066,276 16.066,277 16.066,278 16.066,279 13.96,280 22.821,281 9.245,282 16.651,283 12.708,284 12.708,285 12.708,286 12.708,287 12.708,288 9.409,289 29.596,290 4.239,291 13.461,292 3.809,293 1.711,294 0.907,295 0.657,296 0.611,297 0.471,298 3.907,300 1,301 1,302 1,303 470,304 2.739,307 191.322,311 100.761,314 1.292,315 22.1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52.5,327 223,328 4.637,329 3.341,330 6.731,331 4.163,332 3.192,333 4.597,334 0.86,335 11.016,336 3.097,337 4.242,338 3.08,339 6.091,340 3.831,341 2.871,342 3.889,343 0.86,344 8.861,345 2.762,346 3.855,347 2.81,348 5.753,349 3.443,350 2.49,351 3.346,352 0.68,353 7.759,354 2.373,355 3.639,356 2.527,357 5.305,358 3.224,359 2.279,360 3.056,362 6.798,363 2.145,364 3.473,365 2.348,366 4.995,367 3.059,368 2.11,369 2.807,371 5.885,372 2.003,373 3.317,374 2.149,375 4.907,376 2.903,377 1.946,378 2.616,380 5.567,381 1.85,382 2.883,383 1.936,384 4.603,385 2.474,386 1.563,387 2.002,389 4.455,390 1.413,391 2.819,392 1.549,393 4.133,394 2.346,395 1.412,396 1.944,398 3.654,399 1.315,400 1.925,401 1.195,402 3.427,403 1.589,404 0.703,405 0.821,407 1.52,408 0.616,409 1.611,410 0.819,411 2.983,412 1.321,413 0.403,414 0.469,415 0.832,416 0.367,417 1.508,418 0.66,419 2.798,420 1.196,421 0.311,422 0.361,423 0.488,424 0.274,425 1.213,426 0.269,427 2.727,428 0.869,429 -0.063,430 -0.076,431 -0.125,432 -0.058,433 0.899,434 -0.273,435 2.359,436 0.427,437 -0.513,438 -0.62,439 -1.242,440 -0.465,441 0.802,442 -0.314,443 2.339,444 0.405,445 -0.533,446 -0.688,448 -1.444,449 -0.505,450 0.71,451 -0.314,452 2.254,453 0.383,454 -0.58,455 -0.755,457 -1.55,458 -0.568,459 11.167,460 0.465,461 0.66,462 0.028,463 34,464 1.417,465 18,466 0.75,467 16,468 0.667,469 17.476,470 0.728,471 26.033,472 0.605,473 24.969,474 1.04,475 6.921,476 0.288,477 4.591,478 0.191,479 0.206,481 0.403,485 1.011,486 1.313,487 0.804,488 1.096,489 1.198,490 0.929,491 1.13,492 0.811,493 0.715,494 0.736,495 0.706,496 0.682,497 1.096,498 1.234,499 1.014,500 1.123,501 0.99,502 1.057,503 0.899,504 1.038,505 1.011,506 1.159,507 0.895,508 1.112,509 1.085,510 1.048,511 1.07,512 1.099,513 0.94,514 1.092,515 1.281,516 1.137,517 1.302,518 1.246,519 1.202,520 1.279,521 0.854,522 0.955,523 0.833,524 0.944,525 0.652,526 0.916,527 0.702,528 1.023,529 0.882,530 1.024,531 0.749,532 1.004,533 6,534 0.062,535 2.667,536 1.938,537 2.102,538 0.764,539 0.728,540 0.385,541 0.23,542 0.235,543 5658,544 16304,545 2.015,546 44.2,547 2,548 9,550 1,551 4,552 3,555 1.673,556 1.846,557 3.17,558 1.819,559 1,560 1,562 1,564 69.522,565 1.617,566 3.715,567 4.519,568 4.769,569 4.815,570 4.955,571 2.605,572 4.137,573 4.557,574 3.297,575 909.917,576 7.887,577 10418.3,579 1,581 1,582 233.329,583 1.528,584 4.493,585 0.231,586 0.007,587 0.072,588 0.048,589 0.057,590 0.022,591 0.027,592 0.015,593 0.01,594 0.016,595 0.506,596 0.17,597 1,598 0.961,599 112.367,600 -0.122,601 -0.095,602 0.031,603 -0.03,604 -0.243,605 0.029,607 0.259,608 0.22,609 0.294,610 0.178,611 0.284,612 -0.134,613 -0.065,614 -0.144,615 -0.092,616 -0.152,617 -0.11,618 0.005,619 0.014,620 -0.093,621 -0.137,622 0.001,623 -0.13,624 -0.049,625 -0.07,626 -0.115,627 -0.078,628 -0.059,629 -0.101,630 -0.241,631 -0.153,632 -0.345,633 -0.251,634 -0.291,635 -0.307,636 0.157,637 -0.124,638 0.2,639 0.048,640 0.217,641 0.108,642 0.287,643 -0.094,644 0.131,645 -0.082,646 0.286,647 -0.03,648 1.506,649 2.009,650 0.667,651 18.174,652 1.008,653 1.135,654 1.853,655 3.432,656 0.657,657 3.296,658 3.638,659 3.912,660 4.205,661 4.477,662 4.511,663 4.625,664 4.7,665 4.796,666 4.787,667 5.452,668 0.633,669 325.41,670 3.296,671 4.844,672 5.7,673 6.594,674 7.473,675 8.369,676 9.256,677 10.153,678 11.045,679 11.942,680 11.6,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 2,718 43,719 17,720 1,721 26,723 45,724 17,725 13,726 4,727 2,729 3,730 4,734 1,739 1,741 13,742 4,753 1,754 1,757 19,758 7,759 4,760 7,764 5,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 3,810 24,811 2,816 1,818 2,829 4.7,834 2,836 13,837 8.683,838 5.361,839 2.233,840 3.371,841 1.473,842 0.984,843 4.513,844 10.491,845 3.57,846 4.248,847 4.879,848 5.521,849 6.141,850 6.43,851 6.829,852 7.228,853 7.661,854 7.867,855 1,856 40,857 8.778,859 3.625,860 7.771,861 16.539,863 13.05,865 2.271,866 54.5,870 176.567,871 99.161,872 116.151,874 22,877 99.161,878 198.566,879 116.151,880 30.591,881 2.535,882 94.223,883 62.128,884 55.379,885 4.227,886 164.795,888 176.567,889 215.312,890 22,893 176.567,894 22,897 27.207,898 137.748,899 50.357,901 176.567,902 138.151,903 99.161,906 176.567,907 31.093,908 68.067,910 138.151,911 176.567,912 138.151,913 99.161,915 0.582,916 0.35,917 0.197,918 0.116,919 18,920 9,921 0.089,922 4,923 1,924 1.125,925 3.458,926 198.479,927 0.125,928 16,929 108.039,933 16.43,934 6.593,935 3.28,936 1.645,937 138.151,938 7.48,939 12.562,943 4.609,945 65.794,946 413.878,947 34.5,956 43.349,957 48.817,958 0.298,959 0.685,960 0.833,961 0.879,962 0.887,963 0.913,964 4.806,965 1.412,966 5.707,967 4.455,968 4.317,969 4.934,970 1.586,971 6.541,972 4.218,973 6.051,974 0.703,975 7.283,976 3.654,977 4.007,978 4.913,980 7.466,981 3.884,982 7.385,983 0.403,984 8.952,985 1.52,986 5.938,987 7.248,988 1.285,989 10.567,990 5.767,991 8.755,992 0.311,993 10.675,994 0.832,995 6.382,996 7.993,998 12.284,999 6.185,1000 10.151,1001 -0.063,1002 12.431,1003 0.488,1004 7.824,1005 9.847,1006 1.035,1007 14.927,1008 7.595,1009 11.568,1010 -0.513,1011 14.212,1012 -0.125,1013 8.628,1014 10.974,1016 17.011,1017 8.371,1018 13.001,1019 -0.533,1020 16.011,1021 -1.242,1022 9.877,1023 12.628,1024 0.828,1025 19.488,1026 9.592,1027 3.192,1028 -0.58,1029 17.825,1030 -1.444,1031 10.858,1032 13.951,1034 21.742,1035 10.544,1036 2.871,1037 11.016,1038 19.652,1039 -1.55,1040 12.033,1041 15.52,1042 0.656,1043 24.16,1044 11.692,1045 2.49,1046 8.861,1047 21.489,1048 4.597,1049 13.098,1050 16.942,1052 26.491,1053 12.728,1054 2.279,1055 7.759,1056 23.335,1057 3.889,1058 14.246,1059 18.476,1060 0.515,1061 28.89,1062 13.849,1063 2.11,1064 6.798,1065 25.189,1066 3.346,1067 15.353,1068 19.947,1070 31.256,1071 14.926,1072 1.946,1073 5.885,1074 27.05,1075 3.056,1076 16.494,1077 21.469,1078 0.401,1079 33.65,1080 16.041,1081 1.563,1082 5.567,1083 28.917,1084 2.807,1085 17.621,1086 22.965,1088 36.032,1089 17.138,1090 5629,1091 9663,1092 16.819,1093 28.267,1094 38.627,1095 39.57,1096 40.933,1097 38.453,1098 38.558,1099 51.818,1100 4.8,1101 113.671,1102 36.43,1103 5.406,1104 5.341,1105 6.256,1106 5.232,1107 5.192,1108 7.597,1109 1.72,1110 18.245,1111 5.097,1112 13.813,1113 1.486,1114 1.522,1115 1.574,1116 1.479,1117 1.483,1118 1.993,1119 0.185,1120 4.372,1121 1.401,1122 4.099,1123 4.119,1124 4.07,1125 4.023,1126 5.292,1127 4.031,1128 3.863,1129 3.916,1130 3.827,1131 3.707,1132 5.038,1133 3.729,1134 3.562,1135 3.604,1136 3.483,1137 3.435,1138 4.978,1139 3.441,1140 3.321,1141 3.375,1142 3.195,1143 3.067,1144 4.662,1145 3.089,1146 3.255,1147 3.329,1148 3.084,1149 3.014,1150 4.459,1151 3.019,1152 3.136,1153 3.234,1154 2.963,1155 2.881,1156 4.437,1157 2.882,1158 3.002,1159 3.12,1160 2.827,1161 2.743,1162 4.254,1163 2.737,1164 2.901,1165 2.999,1166 2.696,1167 2.665,1168 3.751,1169 2.669,1170 0.178,1171 0.129,1172 0.259,1173 0.16,1174 0.123,1175 4.637,1176 0.177,1177 3.341,1178 0.033,1179 6.731,1180 0.424,1181 4.163,1182 0.119,1183 3.192,1184 4.597,1185 0.86,1186 11.016,1187 3.097,1188 2.046,1189 2.03,1190 2.108,1191 2.138,1192 1.29,1193 2.129,1194 1.788,1195 1.745,1196 1.882,1197 1.974,1198 1.01,1199 1.946,1200 1.531,1201 1.49,1202 1.711,1203 1.703,1204 0.767,1205 1.708,1206 1.251,1207 1.192,1208 1.593,1209 1.553,1210 0.595,1211 1.565,1212 1.208,1213 1.133,1214 1.566,1215 1.515,1216 0.57,1217 1.533,1218 1.102,1219 1.014,1220 1.401,1221 1.394,1222 0.452,1223 1.399,1224 0.956,1225 0.862,1226 1.264,1227 1.29,1228 0.291,1229 1.302,1230 0.877,1231 0.772,1232 1.196,1233 1.157,1234 0.062,1235 1.184,1236 3.97,1238 5.303,1240 6.841,1242 8.478,1244 10.17,1246 5.177,1250 11.475,1252 0.551,1254 11,1262 27.224,1263 69.522,1264 159.766,1265 194.31,1266 205.065,1267 207.065,1268 213.065,1269 34.887,1270 7.12,1271 109.17,1272 109.17,1273 18,1274 12.467,1275 4.17,1276 3.248,1277 39.098,1278 79,1279 82,1280 0.251,1281 170.205,1282 284.34,1283 407.06,1284 10548,1286 17.267,1287 0.719,1288 0.576,1289 17.267,1290 13.829,1291 11.512,1292 0.443,1293 0.285,1294 7.257,1295 10.933,1296 6.968,1297 5.856,1298 11.512,1299 7.406,1300 10.47,1301 0.283,1302 0.148,1303 10.47,1304 5.476,1305 8.676,1306 0.177,1307 0.077,1308 8.676,1309 3.779,1310 7.408,1311 0.112,1312 0.04,1313 7.408,1314 2.661,1315 6.317,1316 0.073,1317 0.022,1318 6.317,1319 1.923,1320 0.383,1321 73.148,1322 0.244,1323 22.989,1324 0.72,1325 126,1326 389.031,1327 139.861,1328 375.233,1329 517.31,1330 352,1331 149,1332 385.88,1333 162.529,1334 395.598,1335 573.42,1336 367,1337 4.31}
{0 CHEMBL56861,1 1.524,2 11.75,3 3.971,4 15.766,5 121.795,6 7.105,7 0.414,8 4.107,9 4.268,10 3.615,11 3.555,12 5.195,13 3.518,14 4.629,15 4.865,16 3.945,17 3.907,18 5.628,19 3.841,20 4.838,21 5.086,22 4.08,23 4.071,24 5.821,25 3.995,26 4.911,27 5.148,28 4.055,29 4.128,30 5.925,31 4.023,32 5.049,33 5.336,34 3.995,35 4.127,36 5.978,37 4.007,38 5.006,39 5.295,40 3.992,41 4.091,42 5.946,43 3.951,44 4.914,45 5.202,46 3.934,47 3.971,48 5.902,49 3.809,50 4.679,51 4.966,52 3.697,53 3.767,54 5.6,55 3.615,56 0.098,57 0.856,58 13.125,59 4.456,60 14.338,61 6.956,62 0.302,63 1.224,64 24.329,65 7.161,66 29.355,67 11.384,68 0.387,69 1.425,70 32.1,71 8,72 36.49,73 13.465,74 0.337,75 1.527,76 33.902,77 9.589,78 45.867,79 15.455,80 0.478,81 1.577,82 38.595,83 9.394,84 54.897,85 16.447,86 0.439,87 1.434,88 38.255,89 9.965,90 55.72,91 16.385,92 0.572,93 1.184,94 41.561,95 9.382,96 67.891,97 15.146,98 0.482,99 0.954,100 33.625,101 7.721,102 44.81,103 12.019,104 65,105 39,106 0.253,107 0.577,108 0.747,109 0.832,110 0.832,111 0.832,112 3.374,113 1.018,114 -4.73,115 -4.65,116 -4.37,119 33.3,120 3,121 1,124 1,125 4,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 6,172 3,173 3,175 1,178 6,180 1,181 1,182 7,187 1,189 6,191 1,192 1,193 11,195 1,196 1,197 1,198 5,200 2,201 5,204 5,205 1,206 1,207 10,212 4,215 4,218 4,220 2,221 5,223 1,224 1,226 2,229 1,231 2,233 2,234 7,236 1,237 1,239 2,241 1,243 2,245 2,246 5,248 2,249 2,254 1,260 3,262 1,263 1,265 1,268 2,270 1,273 1324,274 18.61,275 18.61,276 18.61,277 18.61,278 18.61,279 16.937,280 26.555,281 10.871,282 19.191,283 14.064,284 14.064,285 14.064,286 14.064,287 14.064,288 11.455,289 32.613,290 4.883,291 14.98,292 4.309,293 2.357,294 1.334,295 0.825,296 0.825,297 0.825,298 4.036,299 1,301 1,302 1,303 664,304 4.062,307 202.817,314 1.839,315 23.256,318 1,319 1,320 0.83,321 1,322 1,323 1,324 1,325 0.98,326 60.333,327 329,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.8,335 11.076,336 3.094,337 4.183,338 3.111,339 6.047,340 3.726,341 2.794,342 3.814,343 0.4,344 8.672,345 2.583,346 3.639,347 2.82,348 5.309,349 3.429,350 2.502,351 3.012,353 6.753,354 2.319,355 3.533,356 2.514,357 5.299,358 3.214,359 2.28,360 2.613,362 6.619,363 2.124,364 3.346,365 2.385,366 5.038,367 3.139,368 2.215,369 2.548,371 5.903,372 2.029,373 3.299,374 2.226,375 4.978,376 2.932,377 1.985,378 2.403,380 5.702,381 1.876,382 3.102,383 1.964,384 4.756,385 2.679,386 1.731,387 2.302,389 4.931,390 1.632,391 2.889,392 1.802,393 4.225,394 2.449,395 1.525,396 1.998,398 3.936,399 1.357,400 2.301,401 0.936,402 3.329,403 1.834,404 0.853,405 1.086,407 1.884,408 0.834,409 1.752,410 0.821,411 3.297,412 1.591,413 0.618,414 0.66,415 1.172,416 0.6,417 1.626,418 0.744,419 2.89,420 1.549,421 0.586,422 0.618,423 0.934,424 0.551,425 1.618,426 0.604,427 2.747,428 1.429,429 0.469,430 0.545,431 0.791,432 0.444,433 1.38,434 0.373,435 2.618,436 1.039,437 0.123,438 0.148,439 0.241,440 0.105,441 1.074,442 0.021,443 2.454,444 0.728,445 -0.211,446 -0.232,448 -0.351,449 -0.178,450 0.825,451 -0.143,452 2.341,453 0.583,454 -0.325,455 -0.372,457 -0.671,458 -0.289,459 13.414,460 0.479,461 0.698,462 0.025,463 32.75,464 1.17,465 15,466 0.536,467 17.75,468 0.634,469 27.234,470 0.973,471 32.186,472 0.565,473 25.249,474 0.902,475 6.316,476 0.226,477 7.072,478 0.253,479 0.262,481 0.321,485 0.845,486 1.516,487 0.763,488 1.171,489 1.059,490 1.089,491 0.827,492 1.05,493 0.696,494 0.85,495 0.46,496 0.84,497 1.201,498 1.046,499 0.899,500 0.833,501 0.896,502 0.845,503 0.883,504 1.35,505 0.98,506 1.246,507 0.821,508 1.179,509 1.058,510 1.062,511 0.795,512 0.888,513 1.096,514 0.926,515 0.994,516 1.002,517 0.846,518 0.889,519 0.996,520 0.927,521 1.079,522 0.945,523 1.279,524 1.076,525 1.066,526 1.012,527 1.234,528 0.736,529 1.42,530 0.962,531 1.19,532 0.916,533 6.5,534 0.14,535 3.333,536 2.313,537 1.738,538 1.125,539 0.649,540 0.392,541 0.378,542 0.2,543 8941,544 22694,545 1.916,546 50.9,547 3,548 14,551 4,552 2,553 6,555 1.71,556 1.75,557 3.498,558 1.733,560 1,564 86.883,565 1.524,566 3.475,567 4.499,568 5.008,569 5.008,570 5.008,571 2.955,572 4.522,573 4.776,574 3.698,575 1397.93,576 8.306,577 18988.3,579 1,582 332.475,583 1.55,584 4.706,585 0.224,586 0.007,587 0.085,588 0.054,589 0.042,590 0.03,591 0.019,592 0.014,593 0.015,594 0.008,595 0.497,597 1,598 2.047,599 142.071,600 0.049,601 -0.126,602 0.022,603 -0.06,604 -0.124,605 -0.027,606 0.143,607 0.111,608 0.153,609 0.154,610 0.28,611 0.158,612 -0.107,613 0.071,614 0.06,615 0.153,616 0.018,617 0.133,618 0.05,619 -0.228,620 -0.062,621 -0.211,622 0.115,623 -0.164,624 -0.077,625 -0.057,626 0.023,627 0.022,628 -0.081,629 0.017,630 -0.009,631 -0.032,632 0.08,633 0.058,634 0.006,635 0.036,636 0.115,637 -0.041,638 0.023,639 -0.058,640 0.084,641 -0.026,642 0.033,643 0.166,644 -0.032,645 0.068,646 -0.064,647 0.072,648 1.498,649 2.204,650 0.429,651 28,652 0.998,653 1.149,654 3.503,655 12.273,656 0.636,657 3.401,658 3.689,659 3.912,660 4.111,661 4.29,662 4.344,663 4.344,664 4.369,665 4.419,666 4.344,667 7.012,668 0.593,669 405.01,670 3.401,671 4.92,672 5.746,673 6.608,674 7.456,675 8.327,676 9.185,677 10.061,678 10.926,679 11.806,680 14,683 1,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 57,719 13,720 1,721 29,723 58,724 19,725 10,726 3,727 3,729 2,730 2,731 1,734 3,739 1,741 10,742 9,744 1,750 2,754 1,757 29,758 8,759 4,760 9,761 1,764 8,769 1,776 1,781 2,799 1,802 2,806 4,807 1,810 28,811 2,816 5,821 2,828 1,836 16,837 11.26,838 6.528,839 3.702,840 2.791,841 1.403,842 0.936,843 8.423,844 9.717,845 3.611,846 4.159,847 4.705,848 5.252,849 5.785,850 6.076,851 6.401,852 6.729,853 7.049,854 7.249,855 0.875,856 43,857 10.28,859 4.08,860 7.688,861 19.671,863 15.066,865 2.188,866 61.278,869 1,870 294.278,871 93.87,872 138.695,873 39.149,877 93.87,878 333.426,879 138.695,880 34.872,881 13.959,882 94.223,883 33.571,884 18.51,885 37.431,886 294.278,887 39.149,888 294.278,889 232.565,891 39.149,893 223.651,894 70.627,897 48.215,898 117.576,899 105.923,901 294.278,902 138.695,903 133.019,906 294.278,907 30.57,908 69.427,910 171.718,911 294.278,912 138.695,913 133.019,915 0.57,916 0.34,917 0.174,918 0.092,919 15,920 9,921 0.155,922 9,924 1,925 3.826,926 224.141,928 12,929 130.606,933 22.342,934 10.556,935 6.024,937 138.695,938 5.487,939 8.385,943 3.946,945 65.794,946 565.992,947 36,953 8.593,956 56.858,957 65.498,958 0.261,959 0.596,960 0.771,961 0.859,962 0.859,963 0.859,964 4.836,965 1.525,966 5.733,967 4.931,968 4.369,969 4.844,970 0.824,971 6.524,972 4.251,973 6.032,974 0.853,975 7.29,976 3.936,977 4.007,978 4.677,979 0.325,980 7.438,981 3.799,982 7.33,983 0.618,984 8.943,985 1.884,986 5.948,987 7.002,988 0.413,989 10.501,990 5.735,991 8.665,992 0.586,993 10.654,994 1.172,995 6.365,996 7.631,997 0.268,998 12.246,999 6.083,1000 10.031,1001 0.469,1002 12.401,1003 0.934,1004 7.796,1005 9.467,1006 0.246,1007 14.867,1008 7.509,1009 11.419,1010 0.123,1011 14.177,1012 0.791,1013 8.579,1014 10.486,1015 0.188,1016 16.987,1017 8.249,1018 12.826,1019 -0.211,1020 15.973,1021 0.241,1022 9.816,1023 12.113,1024 0.157,1025 19.459,1026 9.474,1027 3.171,1028 -0.325,1029 17.788,1030 -0.351,1031 10.78,1032 13.333,1033 0.125,1034 21.742,1035 10.412,1036 2.794,1037 11.076,1038 19.617,1039 -0.671,1040 11.943,1041 14.86,1042 0.102,1043 24.163,1044 11.562,1045 2.502,1046 8.672,1047 21.46,1048 4.257,1049 12.996,1050 16.184,1051 0.082,1052 26.515,1053 12.596,1054 2.28,1055 6.753,1056 23.313,1057 3.814,1058 14.135,1059 17.663,1060 0.067,1061 28.921,1062 13.72,1063 2.215,1064 6.619,1065 25.175,1066 3.012,1067 15.231,1068 19.039,1069 0.054,1070 31.301,1071 14.8,1072 1.985,1073 5.903,1074 27.045,1075 2.613,1076 16.365,1077 20.495,1078 0.043,1079 33.703,1080 15.919,1081 1.731,1082 5.702,1083 28.921,1084 2.548,1085 17.484,1086 21.901,1087 0.035,1088 36.096,1089 17.022,1090 9222,1091 14954,1092 18.205,1093 36.279,1094 42.132,1095 42.278,1096 44.815,1097 41.921,1098 41.706,1099 52.006,1100 2.4,1101 117.225,1102 39.097,1103 5.417,1104 5.278,1105 6.388,1106 5.216,1107 5.171,1108 7.257,1109 1.2,1110 17.964,1111 5.094,1112 18.516,1113 1.453,1114 1.458,1115 1.545,1116 1.446,1117 1.438,1118 1.793,1119 0.083,1120 4.042,1121 1.348,1122 4.015,1123 4.05,1124 4.055,1125 3.935,1126 5.287,1127 3.939,1128 3.787,1129 3.864,1130 3.824,1131 3.629,1132 5.04,1133 3.644,1134 3.749,1135 3.804,1136 3.64,1137 3.559,1138 4.975,1139 3.565,1140 3.514,1141 3.61,1142 3.395,1143 3.264,1144 4.724,1145 3.272,1146 3.392,1147 3.485,1148 3.286,1149 3.193,1150 4.465,1151 3.184,1152 3.306,1153 3.407,1154 3.204,1155 3.123,1156 4.314,1157 3.089,1158 3.131,1159 3.232,1160 3.04,1161 2.909,1162 4.222,1163 2.925,1164 3.087,1165 3.199,1166 2.967,1167 2.857,1168 3.965,1169 2.851,1170 0.156,1171 0.113,1172 0.233,1173 0.143,1174 0.109,1175 4.535,1176 0.147,1177 3.278,1178 0.028,1179 6.77,1180 0.382,1181 4.146,1182 0.107,1183 3.171,1184 4.257,1185 0.8,1186 11.076,1187 3.094,1188 1.957,1189 1.935,1190 2.024,1191 2.064,1192 1.223,1193 2.053,1194 1.724,1195 1.667,1196 1.963,1197 1.962,1198 1.189,1199 1.965,1200 1.7,1201 1.634,1202 1.852,1203 1.868,1204 1.005,1205 1.862,1206 1.469,1207 1.375,1208 1.759,1209 1.737,1210 0.957,1211 1.749,1212 1.381,1213 1.296,1214 1.725,1215 1.632,1216 0.869,1217 1.652,1218 1.351,1219 1.256,1220 1.614,1221 1.584,1222 0.615,1223 1.638,1224 1.113,1225 1.007,1226 1.508,1227 1.389,1228 0.595,1229 1.432,1230 1.012,1231 0.934,1232 1.267,1233 1.369,1234 0.235,1235 1.356,1236 4.078,1238 5.371,1240 6.86,1242 8.444,1244 10.082,1246 8.179,1247 6.315,1250 11.824,1252 4.414,1257 4.134,1262 33.794,1263 86.883,1264 198.103,1265 256.436,1266 285.455,1267 285.455,1268 285.455,1269 60.397,1270 6.926,1271 109.02,1272 109.02,1273 12,1274 12.345,1275 3.807,1276 3,1277 62.03,1278 116,1279 122,1280 0.259,1281 220.434,1282 375.47,1283 529.618,1284 8737,1285 1.8,1286 20.681,1287 0.739,1288 0.634,1289 21.181,1290 17.739,1291 13.388,1292 0.462,1293 0.339,1294 9.349,1295 12.529,1296 8.969,1297 7.562,1298 13.676,1299 9.837,1300 11.552,1301 0.296,1302 0.175,1303 11.923,1304 6.813,1305 9.405,1306 0.192,1307 0.099,1308 9.785,1309 4.858,1310 7.379,1311 0.123,1312 0.05,1313 7.613,1314 3.012,1315 5.544,1316 0.077,1317 0.025,1318 5.786,1319 1.836,1320 0.411,1321 87.113,1322 0.234,1323 26.944,1324 0.698,1325 136,1326 382.699,1327 165.23,1328 408.704,1329 553.09,1330 380,1331 156,1332 398.054,1333 181.912,1334 412.104,1335 594.21,1336 386,1337 4.762}
{0 CHEMBL56862,1 1.56,2 11.679,3 4.718,4 22.258,5 118.893,6 7.919,7 0.6,8 4.002,9 4.144,10 3.613,11 3.539,12 5.178,13 3.515,14 4.472,15 4.663,16 3.958,17 3.899,18 5.591,19 3.849,20 4.685,21 4.893,22 4.067,23 4.023,24 5.779,25 3.961,26 4.738,27 4.962,28 4.023,29 3.998,30 5.843,31 3.928,32 4.763,33 4.989,34 3.97,35 3.998,36 5.865,37 3.925,38 4.845,39 5.113,40 3.949,41 4.007,42 5.863,43 3.882,44 4.739,45 5.011,46 3.913,47 3.888,48 5.778,49 3.747,50 4.447,51 4.679,52 3.744,53 3.735,54 5.504,55 3.612,56 0.094,57 0.79,58 9.633,59 3.978,60 13.068,61 5.447,62 0.217,63 1.167,64 17.811,65 6.763,66 23.233,67 9.429,68 0.243,69 1.362,70 24.598,71 7.618,72 31.55,73 10.968,74 0.305,75 1.405,76 27.079,77 8.024,78 41.04,79 11.708,80 0.318,81 1.46,82 25.348,83 7.27,84 43.077,85 10.892,86 0.37,87 1.413,88 31.392,89 9.514,90 52.15,91 13.956,92 0.502,93 1.144,94 36.117,95 9.338,96 59.166,97 13.415,98 0.311,99 0.923,100 24.935,101 7.175,102 33.42,103 9.791,104 27,105 41,106 0.262,107 0.628,108 0.772,109 0.853,110 0.862,111 0.862,112 3.374,113 0.924,114 -5.48,115 -5.36,116 -5,119 40,120 1,121 1,124 1,125 1,139 8,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 11,169 2,170 5,172 3,173 3,175 1,178 12,180 1,182 10,187 1,189 9,191 1,193 16,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,207 13,212 4,215 4,218 4,220 2,221 6,223 1,224 1,226 2,229 2,231 2,233 2,234 5,236 1,237 1,239 2,241 6,243 2,245 2,246 2,248 2,249 2,254 11,260 1,262 1,263 1,265 1,268 11,270 1,273 1284,274 18.731,275 18.731,276 18.731,277 18.731,278 18.731,279 16.307,280 22.308,281 11.109,282 19.115,283 14.743,284 14.743,285 14.743,286 14.743,287 14.743,288 11.1,289 27.466,290 5.211,291 15.438,292 4.084,293 1.904,294 1.045,295 0.565,296 0.51,297 0.51,298 4.054,299 1,301 1,302 1,303 689,304 3.317,307 298.192,314 1.773,315 22.052,318 0.75,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.84,326 59.833,327 327,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.657,335 11.076,336 3.094,337 4.184,338 3.112,339 6.047,340 3.73,341 2.797,342 3.815,344 8.673,345 2.606,346 3.93,347 2.892,348 5.483,349 3.591,350 2.614,351 3.456,353 7.387,354 2.541,355 3.63,356 2.385,357 5.304,358 3.199,359 2.265,360 3.011,362 6.62,363 2.12,364 3.399,365 2.292,366 5.038,367 3.082,368 2.126,369 2.562,371 5.702,372 2.005,373 3.3,374 2.226,375 4.818,376 2.932,377 1.985,378 2.542,380 5.503,381 1.875,382 3.103,383 1.957,384 4.755,385 2.678,386 1.731,387 2.315,389 4.929,390 1.632,391 2.945,392 1.797,393 4.22,394 2.476,395 1.534,396 2.1,398 3.922,399 1.429,400 2.792,401 1.49,402 3.583,403 2.374,404 1.391,405 1.894,407 3.015,408 1.329,409 2.5,410 1,411 3.328,412 2,413 1,414 1.5,415 2.136,416 1,417 2.208,418 0.839,419 3.247,420 1.603,421 0.643,422 0.923,423 1.479,424 0.603,425 1.748,426 0.666,427 3.152,428 1.537,429 0.559,430 0.643,431 1.104,432 0.543,433 1.389,434 0.41,435 2.751,436 1.048,437 0.138,438 0.164,439 0.271,440 0.116,441 1.11,442 0.097,443 2.611,444 0.81,445 -0.147,446 -0.173,448 -0.37,449 -0.133,450 1.004,452 2.444,453 0.585,454 -0.31,455 -0.384,457 -0.727,458 -0.259,459 13.514,460 0.483,461 0.698,462 0.025,463 38.5,464 1.375,465 21,466 0.75,467 17.5,468 0.625,469 22.18,470 0.792,471 29.686,472 0.594,473 29.186,474 1.042,475 7.652,476 0.273,477 5.821,478 0.208,479 0.186,481 0.326,485 0.803,486 1.15,487 0.674,488 0.916,489 1.063,490 0.884,491 0.652,492 0.964,493 0.659,494 0.857,495 0.489,496 0.842,497 1.122,498 1.222,499 0.927,500 1.002,501 0.982,502 0.968,503 1.048,504 1.246,505 0.96,506 1.08,507 0.858,508 1.024,509 1.308,510 1.281,511 0.949,512 1.065,513 1.362,514 1.111,515 1.003,516 0.975,517 0.883,518 0.914,519 1.069,520 0.966,521 1.002,522 0.791,523 1.296,524 1,525 0.952,526 0.926,527 1.209,528 0.777,529 1.458,530 1.018,531 1.133,532 1.002,533 6,534 0.177,535 2.889,536 2.375,537 1.729,538 0.965,539 0.709,540 0.405,541 0.329,542 0.157,543 9692,544 26980,545 2.013,546 44,547 3,548 13,551 4,552 2,555 1.71,556 1.867,557 3.49,558 1.698,564 77.995,565 1.56,566 3.739,567 4.599,568 5.079,569 5.134,570 5.134,571 2.914,572 4.522,573 4.779,574 3.664,575 1385.16,576 8.309,577 18594.7,579 1,582 282.193,583 1.47,584 4.727,585 0.2,586 0.009,587 0.07,588 0.055,589 0.042,590 0.025,591 0.021,592 0.013,593 0.012,594 0.006,595 0.455,597 0.88,598 0.787,599 141.526,600 0.031,601 0.08,602 0.014,603 0.047,604 -0.181,605 0.035,606 0.205,607 0.153,608 0.125,609 0.116,610 0.236,611 0.111,612 -0.104,613 -0.141,614 -0.009,615 -0.041,616 -0.078,617 -0.027,618 -0.003,619 -0.198,620 -0.034,621 -0.134,622 0.104,623 -0.084,624 -0.236,625 -0.183,626 -0.162,627 -0.179,628 -0.257,629 -0.216,630 -0.006,631 -0.02,632 0.064,633 0.04,634 -0.046,635 0.007,636 0.199,637 0.077,638 0.09,639 0.051,640 0.169,641 0.1,642 0.01,643 0.175,644 -0.067,645 0.046,646 -0.055,647 0.006,648 1.505,649 2.2,650 0.643,651 26.582,652 1.002,653 1.135,654 4.247,655 18.041,656 0.68,657 3.434,658 3.738,659 3.97,660 4.22,661 4.407,662 4.407,663 4.443,664 4.477,665 4.5,666 4.466,667 6.853,668 0.644,669 395.94,670 3.434,671 4.963,672 5.796,673 6.666,674 7.517,675 8.392,676 9.251,677 10.13,678 10.994,679 11.875,680 14,684 2,687 1,690 2,692 2,695 8,696 2,700 8,702 18,711 2,717 1,718 50,719 19,720 2,721 30,723 52,724 20,725 16,726 4,727 8,729 3,730 3,731 1,734 1,739 1,741 16,742 4,744 1,750 2,757 22,758 7,759 4,760 8,761 1,764 7,769 1,776 1,781 3,802 3,806 2,807 1,810 28,811 2,816 2,821 1,828 1,836 15,837 9.476,838 6.278,839 2.888,840 3.789,841 1.528,842 0.98,843 6.448,844 10.969,845 3.714,846 4.311,847 4.877,848 5.445,849 5.978,850 6.172,851 6.498,852 6.841,853 7.167,854 7.419,855 0.875,856 43,857 10.246,859 4.199,860 7.73,861 19.411,863 15.24,865 2.23,866 62.444,868 1,869 1,870 211.88,871 120.47,872 135.571,873 39.149,877 120.47,878 251.028,879 135.571,880 17.222,881 7.642,882 141.604,883 33.571,884 18.571,885 37.431,886 211.88,887 39.149,888 211.88,889 256.04,891 39.149,893 211.88,897 21.123,898 168.143,899 105.923,901 211.88,902 135.571,903 159.618,906 211.88,907 27.438,908 96.033,910 171.718,911 211.88,912 135.571,913 159.618,915 0.576,916 0.335,917 0.185,918 0.101,919 18,920 9,921 0.115,922 6,924 1,925 3.926,926 233.109,928 18,929 130.606,933 20.056,934 9.001,935 4.986,937 135.571,938 15.485,939 8.374,943 4.997,945 65.794,946 507.069,947 40,953 8.559,956 50.105,957 56.754,958 0.276,959 0.663,960 0.815,961 0.9,962 0.91,963 0.91,964 4.931,965 1.534,966 5.778,967 4.929,968 4.419,969 4.997,970 0.623,971 6.567,972 4.33,973 6.141,974 1.391,975 7.324,976 3.922,977 4.007,978 4.745,980 7.438,981 3.835,982 7.44,983 1,984 8.97,985 3.015,986 5.989,987 7.18,988 0.317,989 10.535,990 5.827,991 8.774,992 0.643,993 10.675,994 2.136,995 6.365,996 7.716,998 12.261,999 6.132,1000 10.138,1001 0.559,1002 12.42,1003 1.479,1004 7.834,1005 9.633,1006 0.149,1007 14.892,1008 7.607,1009 11.524,1010 0.138,1011 14.193,1012 1.104,1013 8.592,1014 10.572,1016 17.002,1017 8.313,1018 12.928,1019 -0.147,1020 15.988,1021 0.271,1022 9.852,1023 12.247,1024 0.067,1025 19.475,1026 9.568,1027 3.171,1028 -0.31,1029 17.802,1030 -0.37,1031 10.802,1032 13.407,1034 21.753,1035 10.48,1036 2.797,1037 11.076,1038 19.631,1039 -0.727,1040 11.976,1041 14.959,1042 0.03,1043 24.172,1044 11.642,1045 2.614,1046 8.673,1047 21.473,1048 4.257,1049 13.021,1050 16.242,1052 26.522,1053 12.658,1054 2.265,1055 7.387,1056 23.326,1057 3.815,1058 14.164,1059 17.733,1060 0.013,1061 28.925,1062 13.786,1063 2.126,1064 6.62,1065 25.187,1066 3.456,1067 15.255,1068 19.083,1070 31.305,1071 14.853,1072 1.985,1073 5.702,1074 27.056,1075 3.011,1076 16.389,1077 20.544,1078 0.006,1079 33.705,1080 15.97,1081 1.731,1082 5.503,1083 28.931,1084 2.562,1085 17.505,1086 21.932,1088 36.097,1089 17.064,1090 9488,1091 16004,1092 19.592,1093 33.989,1094 44.657,1095 44.423,1096 45.925,1097 44.09,1098 43.907,1099 58.363,1100 1.315,1101 123.631,1102 41.785,1103 5.322,1104 5.278,1105 6.572,1106 5.216,1107 5.171,1108 7.257,1109 1.315,1110 17.964,1111 5.094,1112 15.276,1113 1.489,1114 1.481,1115 1.531,1116 1.47,1117 1.464,1118 1.945,1119 0.044,1120 4.121,1121 1.393,1122 4.018,1123 4.053,1124 4.056,1125 3.938,1126 5.287,1127 3.942,1128 3.911,1129 3.947,1130 3.839,1131 3.847,1132 5.042,1133 3.84,1134 3.765,1135 3.812,1136 3.824,1137 3.628,1138 4.976,1139 3.643,1140 3.495,1141 3.586,1142 3.409,1143 3.236,1144 4.771,1145 3.255,1146 3.392,1147 3.485,1148 3.285,1149 3.192,1150 4.692,1151 3.184,1152 3.114,1153 3.219,1154 3.204,1155 2.899,1156 4.465,1157 2.916,1158 3.004,1159 3.087,1160 2.945,1161 2.824,1162 4.225,1163 2.823,1164 2.949,1165 3.048,1166 2.882,1167 2.764,1168 3.968,1169 2.747,1170 0.151,1171 0.109,1172 0.226,1173 0.138,1174 0.106,1175 4.535,1176 0.142,1177 3.278,1178 0.022,1179 6.77,1180 0.369,1181 4.146,1182 0.103,1183 3.171,1184 4.257,1185 0.657,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.042,1191 2.065,1192 1.189,1193 2.054,1194 1.91,1195 1.879,1196 2.022,1197 2.005,1198 1.16,1199 2.017,1200 1.706,1201 1.663,1202 1.851,1203 1.869,1204 1.004,1205 1.861,1206 1.424,1207 1.333,1208 1.692,1209 1.701,1210 0.78,1211 1.703,1212 1.38,1213 1.295,1214 1.614,1215 1.632,1216 0.596,1217 1.651,1218 1.016,1219 0.943,1220 1.361,1221 1.373,1222 0.501,1223 1.356,1224 1.001,1225 0.916,1226 1.267,1227 1.223,1228 0.218,1229 1.276,1230 0.929,1231 0.857,1232 1.181,1233 1.194,1234 0.183,1235 1.174,1236 4.111,1238 5.416,1240 6.917,1242 8.511,1244 10.155,1246 3.842,1247 6.311,1250 11.818,1252 1.311,1257 1.747,1262 32.192,1263 77.995,1264 186.974,1265 229.928,1266 253.928,1267 256.683,1268 256.683,1269 47.167,1270 7.18,1271 105.78,1272 105.78,1273 18,1274 12.414,1275 4.322,1276 3.459,1277 49.746,1278 114,1279 120,1280 0.21,1281 207.056,1282 350.59,1283 496.977,1284 12790,1285 2,1286 20.096,1287 0.718,1288 0.591,1289 20.596,1290 16.558,1291 13.474,1292 0.449,1293 0.308,1294 8.782,1295 12.74,1296 8.471,1297 7.115,1298 13.762,1299 9.239,1300 12.032,1301 0.293,1302 0.164,1303 12.403,1304 6.706,1305 9.643,1306 0.185,1307 0.086,1308 10.023,1309 4.478,1310 8.127,1311 0.121,1312 0.045,1313 8.362,1314 3.021,1315 6.359,1316 0.079,1317 0.024,1318 6.602,1319 1.984,1320 0.332,1321 87.016,1322 0.226,1323 26.918,1324 0.568,1325 142,1326 401.053,1327 169.148,1328 432.616,1329 588.46,1330 402,1331 164,1332 425.942,1333 187.886,1334 444.515,1335 639.6,1336 416,1337 5.745}
{0 CHEMBL57222,1 1.678,2 7.105,3 2.869,4 8.232,5 76.358,6 8.895,7 0.6,8 3.545,9 3.683,10 3.24,11 3.091,12 4.861,13 3.085,14 3.977,15 4.148,16 3.61,17 3.458,18 5.22,19 3.424,20 4.199,21 4.389,22 3.764,23 3.593,24 5.434,25 3.559,26 4.217,27 4.39,28 3.707,29 3.586,30 5.573,31 3.539,32 4.313,33 4.538,34 3.482,35 3.531,36 5.528,37 3.462,38 4.348,39 4.637,40 3.362,41 3.406,42 5.454,43 3.279,44 4.088,45 4.392,46 3.342,47 3.071,48 5.395,49 2.946,50 3.546,51 3.818,52 2.652,53 2.581,54 4.864,55 2.408,56 0.098,57 0.506,58 4.749,59 2.197,60 16.932,61 2.752,62 0.167,63 0.725,64 9.136,65 4.116,66 21.592,67 5.408,68 0.256,69 0.841,70 14.116,71 4.47,72 29.808,73 5.894,74 0.249,75 0.871,76 13.494,77 4.674,78 40.718,79 6.088,80 0.296,81 0.911,82 13.278,83 4.338,84 44.583,85 5.902,86 0.376,87 0.788,88 19.424,89 5.646,90 53.546,91 8.205,92 0.394,93 0.523,94 18.514,95 4.433,96 59.833,97 6.643,98 0.246,99 0.266,100 13.912,101 2.625,102 40.913,103 3.44,104 30,105 28,106 0.315,107 0.718,108 0.813,109 0.866,110 0.866,111 0.866,112 3.011,113 0.909,114 -3.72,115 -3.68,116 -3.51,119 38.7,120 1,121 1,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,162 1,166 5,169 1,170 3,172 3,173 3,175 1,178 6,180 2,182 4,187 1,189 6,191 4,193 8,195 1,196 1,197 1,198 5,200 2,201 4,204 7,205 1,207 5,212 4,215 4,218 4,223 2,226 2,228 1,229 1,231 3,232 1,233 2,234 3,236 1,237 1,239 2,241 1,243 3,246 1,253 1,254 1,258 1,262 1,263 1,265 1,270 1,273 413,274 12.602,275 12.602,276 12.602,277 12.602,278 12.602,279 10.968,280 14.64,281 7.224,282 12.963,283 9.704,284 9.704,285 9.704,286 9.704,287 9.704,288 7.135,289 14.507,290 3.213,291 10.311,292 3.276,293 1.133,294 0.629,295 0.347,296 0.347,297 0.347,298 3.661,299 1,300 1,301 1,302 1,303 273,304 2.345,307 120.418,314 0.975,315 20.776,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 41.333,327 135,328 4.537,329 3.276,330 6.77,331 4.146,332 3.171,333 4.259,335 11.075,336 3.094,337 4.213,338 3.105,339 6.036,340 3.709,341 2.779,342 3.831,344 8.602,345 2.562,346 3.647,347 2.385,348 5.303,349 3.183,350 2.258,351 3.011,353 6.61,354 2.076,355 3.346,356 2.226,357 5.038,358 2.932,359 1.985,360 2.549,362 5.702,363 1.876,364 3.297,365 1.97,366 4.756,367 2.682,368 1.733,369 2.362,371 4.929,372 1.637,373 3.084,374 1.805,375 4.205,376 2.453,377 1.53,378 2.161,380 3.835,381 1.358,382 2.653,383 0.832,384 3.328,385 1.557,386 0.601,387 0.978,389 1.18,390 0.556,391 1.751,392 0.592,393 2.865,394 1.48,395 0.501,396 0.638,398 0.809,399 0.485,400 1.397,401 0.283,402 2.742,403 1.024,404 0.099,405 0.124,407 0.186,408 0.087,409 1.092,410 -0.015,411 2.445,412 0.542,413 -0.327,414 -0.451,415 -0.693,416 -0.246,417 0.825,418 -0.305,419 2.25,420 0.436,421 -0.479,422 -0.589,423 -1.149,424 -0.437,425 0.671,426 -0.672,427 2.1,428 0.16,429 -0.822,430 -1.01,431 -1.945,432 -0.802,433 0.24,434 -0.771,435 1.665,436 0.015,437 -0.917,438 -1.316,439 -2.278,440 -0.82,441 -0.04,442 -1.022,443 1.449,444 -0.493,445 -1.311,446 -1.616,448 -3.374,449 -1.063,450 -0.229,451 -1.381,452 1.242,453 -0.62,454 -1.518,455 -1.998,457 -4.062,458 -1.38,459 9.114,460 0.48,461 0.524,462 0.028,463 27,464 1.421,465 15,466 0.789,467 12,468 0.632,469 12.719,470 0.669,471 19.986,472 0.645,473 18.459,474 0.972,475 5.282,476 0.278,477 3.78,478 0.199,479 0.265,481 0.384,485 0.856,486 1.085,487 0.604,488 0.776,489 0.823,490 0.765,491 0.434,492 0.945,493 0.543,494 0.853,495 0.373,496 0.808,497 1.019,498 1.095,499 0.847,500 0.86,501 0.737,502 0.811,503 0.897,504 1.336,505 1.026,506 1.296,507 0.817,508 1.213,509 1.216,510 1.243,511 0.888,512 1.092,513 1.145,514 1.225,515 0.81,516 0.875,517 0.727,518 0.872,519 0.88,520 0.968,521 0.578,522 0.749,523 0.735,524 0.826,525 0.638,526 0.794,527 1.909,528 0.735,529 2.189,530 1.185,531 2.277,532 1.159,533 4.5,535 2.444,536 2.063,537 1.338,538 0.764,539 0.526,540 0.227,541 0.111,543 2636,544 9658,545 1.935,546 38.7,547 3,548 3,551 4,552 2,555 1.61,556 1.754,557 2.851,558 2.09,560 1,562 1,564 52.031,565 1.678,566 3.821,567 4.325,568 4.607,569 4.607,570 4.607,571 2.234,572 4.143,573 4.22,574 2.942,575 503.033,576 7.223,577 4853.86,578 1,579 1,580 1,581 1,582 153.58,583 1.568,584 4.14,585 0.225,587 0.087,588 0.067,589 0.046,590 0.033,591 0.029,592 0.016,593 0.018,595 0.522,596 0.5,597 1,598 1.072,599 80.555,600 -0.115,601 0.132,602 -0.017,603 0.134,604 -0.127,605 0.089,606 0.276,607 0.151,608 0.17,609 0.129,610 0.187,611 0.147,612 -0.115,613 -0.043,614 0.044,615 0.108,616 -0.039,617 0.125,618 -0.018,619 -0.259,620 -0.174,621 -0.343,622 0.073,623 -0.302,624 -0.36,625 -0.192,626 -0.259,627 -0.239,628 -0.284,629 -0.343,630 0.064,631 -0.022,632 0.124,633 0.079,634 -0.029,635 0.067,636 0.486,637 0.012,638 0.434,639 0.188,640 0.433,641 0.293,642 -0.407,643 0.006,644 -0.369,645 -0.078,646 -0.453,647 -0.103,648 1.529,649 2.888,650 0.632,651 11.407,652 1.017,653 1.142,654 2.489,655 6.195,656 0.695,657 3.045,658 3.367,659 3.638,660 3.892,661 4.06,662 4.078,663 4.06,664 3.951,665 3.829,666 3.526,667 4.413,668 0.671,669 275.75,670 3.045,671 4.575,672 5.425,673 6.312,674 7.182,675 8.074,676 8.95,677 9.843,678 10.722,679 11.616,680 19.4,684 2,689 2,690 2,695 3,696 2,700 7,702 12,711 2,717 1,718 31,719 13,720 1,721 20,723 32,724 12,725 10,726 3,727 3,729 2,730 2,731 1,734 1,739 1,741 10,742 2,753 1,754 1,757 12,758 5,759 4,760 7,761 1,764 6,765 1,769 1,776 1,781 2,802 2,806 1,807 1,810 19,811 2,816 1,823 1,826 1,828 1,836 10.833,837 5.91,838 4.361,839 1.834,840 2.559,841 1.412,842 0.97,843 3.793,844 8.766,845 3.367,846 3.97,847 4.59,848 5.182,849 5.705,850 5.977,851 6.298,852 6.536,853 6.812,854 6.905,855 0.8,856 31,857 6.905,859 2.86,860 8.041,861 12.701,863 9.929,865 2.541,866 48.278,870 94.169,871 59.401,872 146.353,873 39.149,877 59.401,878 133.317,879 146.353,880 8.825,881 2.535,882 94.223,883 33.571,884 62.372,885 4.227,886 94.169,887 39.149,888 94.169,889 205.753,891 39.149,893 94.169,897 63.003,898 109.18,899 72.72,901 94.169,902 146.353,903 98.549,906 94.169,907 22.147,908 37.254,910 185.501,911 94.169,912 146.353,913 98.549,915 0.578,916 0.357,917 0.199,918 0.105,919 13,920 7,921 0.094,922 3,924 1,925 2.943,926 138.084,928 12,929 80.711,933 13.47,934 5.35,935 2.575,937 130.302,938 5.009,939 8.122,943 3.174,945 65.794,946 339.071,947 28,956 31.527,957 35.387,958 0.339,959 0.771,960 0.873,961 0.93,962 0.93,963 0.93,964 4.605,965 0.501,966 5.434,967 1.18,968 4.043,969 4.654,971 6.275,972 3.93,973 5.854,974 0.099,975 7.02,976 0.809,977 3.761,978 4.559,980 7.265,981 3.568,982 7.182,983 -0.327,984 8.705,985 0.186,986 5.666,987 6.908,989 10.361,990 5.472,991 8.544,992 -0.479,993 10.445,994 -0.693,995 6.155,996 7.583,998 12.158,999 5.899,1000 9.933,1001 -0.822,1002 12.222,1003 -1.149,1004 7.577,1005 9.43,1007 14.799,1008 7.318,1009 11.342,1010 -0.917,1011 14.023,1012 -1.945,1013 8.42,1014 10.475,1016 16.946,1017 8.12,1018 12.767,1019 -1.311,1020 15.844,1021 -2.278,1022 9.659,1023 12.105,1025 19.427,1026 9.35,1027 3.171,1028 -1.518,1029 17.679,1030 -3.374,1031 10.665,1032 13.338,1034 21.722,1035 10.327,1036 2.779,1037 11.075,1038 19.527,1039 -4.062,1040 11.835,1041 14.866,1043 24.148,1044 11.484,1045 2.258,1046 8.602,1047 21.385,1048 4.259,1049 12.914,1050 16.196,1052 26.505,1053 12.54,1054 1.985,1055 6.61,1056 23.252,1057 3.831,1058 14.062,1059 17.675,1061 28.912,1062 13.672,1063 1.733,1064 5.702,1065 25.125,1066 3.011,1067 15.174,1068 19.055,1070 31.295,1071 14.765,1072 1.53,1073 4.929,1074 27.004,1075 2.549,1076 16.315,1077 20.511,1079 33.697,1080 15.889,1081 0.601,1082 3.835,1083 28.888,1084 2.362,1085 17.443,1086 21.918,1088 36.091,1089 16.998,1090 2785,1091 5423,1092 12.542,1093 21.557,1094 30.654,1095 29.852,1096 31.802,1097 29.504,1098 29.315,1099 39.826,1101 85.858,1102 27.462,1103 5.208,1104 5.276,1105 6.293,1106 5.216,1107 5.171,1108 7.259,1110 17.963,1111 5.094,1112 11.507,1113 1.533,1114 1.493,1115 1.59,1116 1.475,1117 1.466,1118 1.991,1120 4.293,1121 1.373,1122 4.017,1123 4.05,1124 4.063,1125 3.938,1126 6.91,1127 3.943,1128 3.778,1129 3.828,1130 3.828,1131 3.634,1132 5.285,1133 3.65,1134 3.393,1135 3.485,1136 3.315,1137 3.194,1138 4.982,1139 3.186,1140 3.238,1141 3.332,1142 3.207,1143 2.948,1144 4.889,1145 2.995,1146 3.085,1147 3.199,1148 3.202,1149 2.85,1150 4.466,1151 2.863,1152 2.875,1153 2.959,1154 2.9,1155 2.622,1156 4.23,1157 2.64,1158 2.672,1159 2.773,1160 2.583,1161 2.422,1162 3.965,1163 2.418,1164 2.536,1165 2.601,1166 2.47,1167 2.273,1168 3.617,1169 2.314,1170 0.227,1171 0.164,1172 0.338,1173 0.207,1174 0.159,1175 4.537,1176 0.213,1177 3.276,1179 6.77,1180 0.554,1181 4.146,1182 0.155,1183 3.171,1184 4.259,1186 11.075,1187 3.094,1188 1.962,1189 1.939,1190 2.027,1191 2.069,1192 1.189,1193 2.057,1194 1.713,1195 1.669,1196 1.854,1197 1.884,1198 1.004,1199 1.87,1200 1.383,1201 1.297,1202 1.617,1203 1.634,1204 0.596,1205 1.654,1206 1.08,1207 1.003,1208 1.269,1209 1.423,1210 0.18,1211 1.373,1212 0.988,1213 0.908,1214 1.197,1215 1.352,1216 0.128,1217 1.318,1218 0.813,1219 0.715,1220 1.121,1221 1.098,1222 0.025,1223 1.118,1224 0.644,1225 0.54,1226 0.956,1227 0.915,1229 0.947,1230 0.417,1231 0.33,1232 0.762,1233 0.725,1235 0.761,1236 3.714,1238 5.03,1240 6.561,1242 8.193,1244 9.877,1246 1.942,1247 5.886,1250 11.482,1252 0.653,1260 8.888,1262 20.8,1263 52.031,1264 118.461,1265 134.07,1266 142.825,1267 142.825,1268 142.825,1269 33.066,1270 6.207,1271 105.97,1272 105.97,1273 12,1274 12.145,1275 3.807,1276 3.17,1277 33.37,1278 49,1279 47,1280 0.347,1281 138.235,1282 231.05,1283 329.053,1284 3042,1285 3.2,1286 13.991,1287 0.736,1288 0.583,1289 14.491,1290 11.069,1291 9.062,1292 0.453,1293 0.303,1294 5.641,1295 8.446,1296 5.461,1297 4.566,1298 9.351,1299 6.061,1300 8.018,1301 0.286,1302 0.156,1303 8.389,1304 4.356,1305 6.677,1306 0.18,1307 0.083,1308 7.057,1309 3.069,1310 5.685,1311 0.118,1312 0.043,1313 5.955,1314 2.043,1315 4.239,1316 0.074,1317 0.023,1318 4.433,1319 1.328,1320 0.514,1321 59.853,1322 0.282,1323 18.463,1324 1.046,1325 96,1326 296.096,1327 119.984,1328 328.269,1329 436.19,1330 302,1331 113,1332 303.23,1333 132.918,1334 318.569,1335 461.73,1336 299,1337 7.495}
{0 CHEMBL57377,1 1.54,2 9.217,3 2.531,4 6.408,5 92.137,6 7.367,7 0.68,8 3.838,9 3.972,10 3.389,11 3.352,12 5.006,13 3.341,14 4.323,15 4.51,16 3.751,17 3.722,18 5.44,19 3.693,20 4.469,21 4.633,22 3.834,23 3.883,24 5.581,25 3.839,26 4.645,27 4.865,28 3.765,29 3.924,30 5.673,31 3.834,32 4.665,33 4.894,34 3.665,35 3.882,36 5.639,37 3.779,38 4.628,39 4.866,40 3.486,41 3.78,42 5.568,43 3.656,44 4.557,45 4.844,46 3.43,47 3.633,48 5.467,49 3.491,50 4.341,51 4.614,52 3.312,53 3.402,54 5.389,55 3.3,56 0.039,57 0.65,58 8.749,59 3.421,60 10.389,61 4.698,62 0.212,63 0.978,64 15.807,65 5.992,66 23.001,67 8.193,68 0.167,69 1.162,70 17.427,71 6.415,72 20.501,73 9.007,74 0.201,75 1.256,76 22.43,77 8.192,78 32.251,79 11.715,80 0.224,81 1.213,82 23.578,83 8.204,84 32.39,85 11.731,86 0.282,87 1.121,88 23.36,89 7.82,90 34.945,91 11.155,92 0.298,93 0.998,94 22.787,95 7.736,96 31.89,97 11.779,98 0.217,99 0.862,100 17.956,101 5.448,102 31.334,103 8.385,104 27,105 36,106 0.269,107 0.642,108 0.798,109 0.859,110 0.859,111 0.859,112 3.189,113 0.875,114 -3.57,115 -3.55,116 -3.38,119 40.5,120 2,121 1,124 1,139 3,140 4,141 1,142 1,143 2,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 6,172 3,173 3,175 1,178 10,180 1,181 1,182 7,187 1,189 8,191 1,193 7,195 1,196 1,197 1,198 2,200 2,201 7,204 2,205 1,207 9,212 3,215 7,218 3,221 3,226 2,229 3,231 2,233 2,234 2,236 1,237 1,239 3,241 1,243 3,245 2,246 4,248 1,249 1,251 3,254 1,256 3,262 1,263 1,265 1,270 1,273 666,274 15.196,275 15.196,276 15.196,277 15.196,278 15.196,279 13.038,280 20.933,281 8.72,282 15.609,283 12.271,284 12.271,285 12.271,286 12.271,287 12.271,288 8.981,289 26.579,290 4.081,291 12.847,292 3.853,293 1.722,294 0.834,295 0.482,296 0.482,297 0.482,298 3.865,300 1,301 1,302 1,303 449,304 2.55,307 181.987,311 95.75,314 1.27,315 18.685,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 49.5,327 212,328 4.629,329 3.312,330 6.706,331 4.159,332 3.181,333 4.591,334 0.86,335 10.895,336 3.113,337 4.242,338 3.069,339 6.09,340 3.831,341 2.87,342 3.889,343 0.68,344 8.857,345 2.765,346 3.836,347 2.712,348 5.664,349 3.431,350 2.46,351 3.329,353 7.432,354 2.387,355 3.626,356 2.521,357 5.305,358 3.216,359 2.264,360 3.043,362 6.786,363 2.151,364 3.47,365 2.301,366 4.995,367 3.055,368 2.101,369 2.806,371 5.883,372 2.005,373 3.317,374 2.13,375 4.907,376 2.902,377 1.943,378 2.616,380 5.567,381 1.85,382 2.837,383 1.776,384 4.472,385 2.42,386 1.475,387 1.963,389 4.135,390 1.386,391 2.805,392 1.549,393 4.13,394 2.344,395 1.41,396 1.913,398 3.645,399 1.314,400 1.836,401 0.998,402 3.313,403 1.502,404 0.577,405 0.694,407 1.327,408 0.528,409 1.61,410 0.697,411 2.957,412 1.32,413 0.4,414 0.469,415 0.807,416 0.367,417 1.298,418 0.319,419 2.729,420 0.943,421 0.016,422 0.019,423 0.032,424 0.015,425 0.979,426 -0.161,427 2.633,428 0.556,429 -0.428,430 -0.557,431 -1.143,432 -0.419,433 0.802,434 -0.274,435 2.359,436 0.405,437 -0.514,438 -0.621,439 -1.242,440 -0.466,441 0.729,442 -0.314,443 2.314,444 0.383,445 -0.578,446 -0.7,448 -1.514,449 -0.563,450 0.587,451 -0.427,452 2.147,453 0.263,454 -0.703,455 -0.908,457 -1.819,458 -0.668,459 10.833,460 0.471,461 0.698,462 0.03,463 32.5,464 1.413,465 17.5,466 0.761,467 15,468 0.652,469 17.144,470 0.745,471 24.567,472 0.585,473 22.823,474 0.992,475 6.477,476 0.282,477 4.496,478 0.195,479 0.212,481 0.415,485 1.027,486 1.248,487 0.833,488 1.028,489 1.243,490 0.914,491 0.898,492 0.833,493 0.677,494 0.78,495 0.554,496 0.725,497 1.053,498 1.221,499 1.064,500 1.141,501 0.97,502 1.105,503 0.853,504 1.032,505 1.03,506 1.144,507 0.864,508 1.115,509 1.175,510 1.046,511 1.126,512 1.134,513 0.976,514 1.13,515 1.415,516 1.049,517 1.245,518 1.139,519 1.192,520 1.181,521 0.436,522 0.986,523 0.721,524 0.972,525 0.455,526 0.911,527 0.838,528 1.15,529 0.877,530 1.045,531 0.838,532 0.985,533 6,534 0.033,535 2.667,536 1.938,537 1.982,538 0.674,539 0.647,540 0.385,541 0.205,542 0.225,543 5129,544 13753,545 2.016,546 45.2,547 5,548 6,550 1,551 4,552 3,555 1.66,556 1.84,557 3.144,558 1.822,559 1,560 1,562 1,564 64.67,565 1.54,566 3.67,567 4.559,568 4.91,569 4.91,570 4.91,571 2.577,572 4.263,573 4.496,574 3.274,575 828.343,576 7.756,577 9183.57,578 1,579 1,581 1,582 226.477,583 1.538,584 4.428,585 0.24,586 0.004,587 0.074,588 0.051,589 0.058,590 0.022,591 0.027,592 0.017,593 0.01,594 0.019,595 0.523,596 0.33,597 1,598 0.872,599 106.157,600 -0.121,601 -0.04,602 0.026,603 0.024,604 -0.259,605 0.049,606 0.146,607 0.245,608 0.252,609 0.254,610 0.27,611 0.257,612 -0.102,613 -0.069,614 -0.177,615 -0.118,616 -0.147,617 -0.149,618 -0.01,619 -0.007,620 -0.1,621 -0.129,622 0.007,623 -0.125,624 -0.158,625 -0.07,626 -0.167,627 -0.128,628 -0.106,629 -0.143,630 -0.244,631 -0.113,632 -0.262,633 -0.145,634 -0.256,635 -0.202,636 0.373,637 -0.14,638 0.283,639 0.032,640 0.334,641 0.123,642 0.151,643 -0.219,644 0.134,645 -0.107,646 0.217,647 -0.017,648 1.488,649 2.02,650 0.696,651 16.907,652 1.001,653 1.134,654 2.344,655 5.493,656 0.662,657 3.258,658 3.611,659 3.871,660 4.159,661 4.419,662 4.443,663 4.543,664 4.615,665 4.718,666 4.71,667 5.347,668 0.631,669 309.41,670 3.258,671 4.812,672 5.666,673 6.561,674 7.435,675 8.332,676 9.214,677 10.11,678 10.998,679 11.894,680 11.9,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 1,718 42,719 17,720 1,721 25,723 44,724 17,725 13,726 4,727 2,729 3,730 4,734 2,739 1,741 13,742 4,753 1,754 1,757 19,758 6,759 4,760 6,764 5,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 3,810 23,811 2,816 1,818 1,829 2.4,834 1,836 12.5,837 8.517,838 5.028,839 2.275,840 3.372,841 1.48,842 0.996,843 4.053,844 10.401,845 3.541,846 4.234,847 4.856,848 5.494,849 6.106,850 6.385,851 6.773,852 7.169,853 7.616,854 7.805,855 1,856 38,857 8.421,859 3.492,860 7.717,861 16.004,863 12.805,865 2.217,866 51,869 1,870 176.567,871 95.045,872 116.151,874 11,877 95.045,878 187.566,879 116.151,880 28.533,881 2.535,882 94.223,883 62.128,884 42.321,885 4.227,886 164.795,888 176.567,889 211.196,890 11,893 176.567,894 11,897 36.032,898 124.807,899 50.357,901 176.567,902 127.151,903 95.045,906 176.567,907 29.036,908 66.01,910 127.151,911 176.567,912 127.151,913 95.045,915 0.59,916 0.347,917 0.192,918 0.111,919 18,920 9,921 0.068,922 3,923 1,924 1.125,925 3.389,926 186.898,927 0.125,928 16,929 104.042,933 15.504,934 6.012,935 3.056,936 1.94,937 127.151,938 7.806,939 12.612,943 5.348,945 65.794,946 398.763,947 33.5,956 42.022,957 47.607,958 0.286,959 0.681,960 0.845,961 0.911,962 0.911,963 0.911,964 4.781,965 1.41,966 5.68,967 4.135,968 4.29,969 4.92,970 1.225,971 6.512,972 4.211,973 6.034,974 0.577,975 7.256,976 3.645,977 4.007,978 4.913,980 7.424,981 3.909,982 7.371,983 0.4,984 8.925,985 1.327,986 5.911,987 7.238,988 0.925,989 10.523,990 5.774,991 8.741,992 0.016,993 10.646,994 0.807,995 6.365,996 7.985,998 12.222,999 6.21,1000 10.137,1001 -0.428,1002 12.401,1003 0.032,1004 7.796,1005 9.838,1006 0.697,1007 14.865,1008 7.613,1009 11.553,1010 -0.514,1011 14.179,1012 -1.143,1013 8.603,1014 10.964,1016 16.932,1017 8.402,1018 12.986,1019 -0.578,1020 15.975,1021 -1.242,1022 9.847,1023 12.618,1024 0.525,1025 19.405,1026 9.622,1027 3.181,1028 -0.703,1029 17.786,1030 -1.514,1031 10.827,1032 13.94,1034 21.645,1035 10.583,1036 2.87,1037 10.895,1038 19.61,1039 -1.819,1040 11.998,1041 15.508,1042 0.395,1043 24.056,1044 11.733,1045 2.46,1046 8.857,1047 21.444,1048 4.591,1049 13.061,1050 16.929,1052 26.373,1053 12.777,1054 2.264,1055 7.432,1056 23.288,1057 3.889,1058 14.207,1059 18.462,1060 0.298,1061 28.763,1062 13.902,1063 2.101,1064 6.786,1065 25.139,1066 3.329,1067 15.31,1068 19.932,1070 31.116,1071 14.986,1072 1.943,1073 5.883,1074 26.996,1075 3.043,1076 16.449,1077 21.453,1078 0.224,1079 33.5,1080 16.105,1081 1.475,1082 5.567,1083 28.86,1084 2.806,1085 17.572,1086 22.947,1088 35.87,1089 17.209,1090 5083,1091 8434,1092 16.126,1093 27.813,1094 37.614,1095 38.154,1096 39.477,1097 37.321,1098 37.393,1099 50.665,1100 3.08,1101 110.735,1102 35.76,1103 5.397,1104 5.312,1105 6.228,1106 5.228,1107 5.181,1108 7.591,1109 1.72,1110 18.086,1111 5.113,1112 13.331,1113 1.505,1114 1.526,1115 1.579,1116 1.493,1117 1.496,1118 2.027,1119 0.123,1120 4.429,1121 1.43,1122 4.105,1123 4.128,1124 4.072,1125 4.038,1126 5.291,1127 4.043,1128 3.864,1129 3.918,1130 3.828,1131 3.713,1132 5.006,1133 3.733,1134 3.568,1135 3.612,1136 3.484,1137 3.453,1138 4.976,1139 3.456,1140 3.318,1141 3.38,1142 3.186,1143 3.118,1144 4.578,1145 3.118,1146 3.23,1147 3.317,1148 3.06,1149 3.022,1150 4.458,1151 3.026,1152 3.112,1153 3.218,1154 2.927,1155 2.858,1156 4.261,1157 2.857,1158 2.982,1159 3.1,1160 2.809,1161 2.682,1162 4.007,1163 2.702,1164 2.83,1165 2.937,1166 2.668,1167 2.571,1168 3.751,1169 2.588,1170 0.185,1171 0.132,1172 0.268,1173 0.166,1174 0.127,1175 4.629,1176 0.184,1177 3.312,1178 0.034,1179 6.706,1180 0.436,1181 4.159,1182 0.125,1183 3.181,1184 4.591,1185 0.86,1186 10.895,1187 3.113,1188 2.062,1189 2.043,1190 2.132,1191 2.145,1192 1.314,1193 2.142,1194 1.794,1195 1.75,1196 1.896,1197 1.976,1198 1.043,1199 1.95,1200 1.547,1201 1.505,1202 1.717,1203 1.708,1204 0.771,1205 1.717,1206 1.292,1207 1.221,1208 1.623,1209 1.544,1210 0.684,1211 1.565,1212 1.211,1213 1.135,1214 1.56,1215 1.481,1216 0.568,1217 1.517,1218 1.074,1219 0.983,1220 1.358,1221 1.382,1222 0.387,1223 1.382,1224 0.902,1225 0.789,1226 1.234,1227 1.266,1228 0.215,1229 1.278,1230 0.793,1231 0.691,1232 1.149,1233 1.098,1234 0.062,1235 1.12,1236 3.932,1238 5.273,1240 6.812,1242 8.45,1244 10.14,1246 5.7,1250 11.472,1252 0.603,1254 5.52,1262 26.509,1263 64.67,1264 154.159,1265 191.458,1266 206.213,1267 206.213,1268 206.213,1269 31.656,1270 7.028,1271 99.94,1272 99.94,1273 18,1274 12.42,1275 4.17,1276 3.248,1277 36.734,1278 74,1279 76,1280 0.251,1281 166.209,1282 275.55,1283 397.309,1284 9443,1286 16.56,1287 0.72,1288 0.584,1289 16.56,1290 13.421,1291 10.974,1292 0.439,1293 0.292,1294 7.187,1295 10.548,1296 6.871,1297 5.783,1298 10.974,1299 7.294,1300 10.279,1301 0.286,1302 0.155,1303 10.279,1304 5.59,1305 8.346,1306 0.178,1307 0.081,1308 8.346,1309 3.804,1310 7.169,1311 0.114,1312 0.043,1313 7.169,1314 2.729,1315 5.915,1316 0.072,1317 0.023,1318 5.915,1319 1.887,1320 0.383,1321 68.805,1322 0.249,1323 22.191,1324 0.717,1325 122,1326 341.295,1327 132.983,1328 337.666,1329 469.41,1330 316,1331 144,1332 355.334,1333 154.539,1334 366.524,1335 530.84,1336 341,1337 4.367}
{0 CHEMBL57458,1 1.361,2 8.783,3 3.48,4 12.111,5 98.649,6 6.489,7 0.48,8 3.943,9 4.098,10 3.39,11 3.452,12 4.967,13 3.406,14 4.492,15 4.712,16 3.757,17 3.873,18 5.428,19 3.796,20 4.737,21 4.957,22 3.861,23 4.084,24 5.616,25 3.979,26 4.903,27 5.156,28 3.802,29 4.148,30 5.76,31 4.003,32 4.928,33 5.192,34 3.683,35 4.132,36 5.705,37 3.958,38 4.931,39 5.226,40 3.483,41 4.029,42 5.656,43 3.819,44 4.865,45 5.208,46 3.416,47 3.834,48 5.51,49 3.624,50 4.551,51 4.85,52 3.372,53 3.581,54 5.472,55 3.445,56 0.068,57 0.739,58 11.518,59 4.106,60 11.362,61 6.321,62 0.235,63 1.159,64 20.337,65 7.428,66 23.917,67 11.094,68 0.16,69 1.436,70 25.758,71 9.425,72 21.056,73 14.384,74 0.277,75 1.567,76 30.71,77 11.04,78 37.223,79 16.799,80 0.215,81 1.54,82 31.307,83 11.525,84 30.306,85 17.535,86 0.222,87 1.433,88 31.544,89 11.307,90 31.473,91 17.411,92 0.197,93 1.227,94 29.653,95 10.146,96 27.723,97 16,98 0.287,99 1.022,100 22.208,101 6.038,102 32.389,103 10.224,104 27,105 36,106 0.234,107 0.589,108 0.817,109 0.86,110 0.867,111 0.867,112 3.189,113 0.987,114 -4.74,115 -4.66,116 -4.37,119 37.5,120 2,121 3,122 1,124 1,125 1,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 11,169 1,170 5,172 3,173 3,175 1,178 13,180 1,182 6,187 1,189 13,191 1,193 5,195 1,196 1,197 1,198 2,200 2,201 13,204 2,205 1,207 5,212 3,215 11,218 3,221 5,226 3,229 5,231 3,234 4,239 4,243 4,245 2,246 6,248 1,249 1,251 5,256 5,265 2,270 2,273 661,274 15.248,275 15.248,276 15.248,277 15.248,278 15.248,279 13.744,280 24.692,281 8.722,282 15.531,283 12.244,284 12.244,285 12.244,286 12.244,287 12.244,288 9.849,289 33.467,290 4.046,291 12.7,292 4.224,293 2.163,294 0.839,295 0.589,296 0.547,297 0.547,298 3.865,300 1,301 1,302 1,303 428,304 2.55,307 180.423,311 95.114,314 1.221,315 14.865,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 48.5,327 202,328 4.531,329 3.457,330 6.875,331 4.214,332 3.234,333 4.178,334 0.8,335 11.445,336 3.172,337 4.237,338 3.09,339 6.092,340 3.834,341 2.873,342 3.88,343 0.68,344 8.866,345 2.766,346 3.676,347 2.648,348 5.715,349 3.395,350 2.404,351 2.998,353 7.451,354 2.386,355 3.551,356 2.603,357 5.388,358 3.307,359 2.343,360 2.778,362 6.997,363 2.252,364 3.397,365 2.31,366 4.974,367 3.003,368 2.075,369 2.691,371 5.771,372 1.918,373 2.95,374 2.094,375 4.832,376 2.775,377 1.819,378 2.005,380 5.127,381 1.733,382 2.807,383 1.587,384 4.418,385 2.48,386 1.488,387 1.907,389 4.076,390 1.475,391 2.674,392 1.522,393 4.127,394 2.338,395 1.401,396 1.698,398 3.636,399 1.309,400 1.664,401 0.65,402 3.237,403 1.478,404 0.484,405 0.546,407 1.044,408 0.481,409 1.608,410 0.578,411 2.945,412 1.353,413 0.397,414 0.466,415 0.768,416 0.378,417 1.255,418 0.327,419 2.787,420 1.163,421 0.191,422 0.201,423 0.396,424 0.186,425 1.044,426 -0.01,427 2.619,428 0.729,429 -0.234,430 -0.282,431 -0.608,432 -0.226,433 0.797,434 -0.314,435 2.359,436 0.393,437 -0.514,438 -0.621,439 -1.242,440 -0.466,441 0.675,442 -0.485,443 2.314,444 0.317,445 -0.681,446 -0.862,448 -1.741,449 -0.679,450 0.477,451 -0.586,452 2.146,453 0.218,454 -0.752,455 -0.878,457 -2.075,458 -0.727,459 11,460 0.478,461 0.682,462 0.03,463 28.25,464 1.228,465 13.5,466 0.587,467 14.75,468 0.641,469 21.372,470 0.929,471 25.6,472 0.533,473 18.774,474 0.816,475 5.085,476 0.221,477 5.905,478 0.257,479 0.209,481 0.4,485 1.135,486 1.371,487 0.966,488 1.119,489 1.289,490 1.039,491 0.71,492 0.877,493 0.82,494 0.886,495 0.389,496 0.868,497 0.896,498 1.21,499 1.01,500 1.152,501 0.729,502 1.103,503 0.895,504 1.018,505 1.099,506 1.127,507 0.789,508 1.134,509 0.829,510 1.101,511 1.127,512 1.214,513 0.716,514 1.205,515 0.738,516 1.07,517 1.064,518 1.177,519 0.809,520 1.159,521 0.409,522 0.898,523 0.596,524 0.816,525 0.448,526 0.74,527 1.175,528 1.056,529 0.967,530 0.943,531 1.293,532 0.934,533 5.5,534 0.054,535 2.889,536 2.188,537 1.942,538 0.708,539 0.567,540 0.392,541 0.238,542 0.175,543 5065,544 10843,545 2.016,546 52.1,547 11,548 7,550 1,551 4,553 2,555 1.661,556 1.84,557 3.099,558 1.779,560 1,564 65.314,565 1.361,566 3.422,567 4.746,568 4.996,569 5.038,570 5.038,571 2.496,572 4.263,573 4.497,574 3.236,575 818.683,576 7.761,577 9080.24,579 1,581 1,582 268.078,583 1.538,584 4.428,585 0.22,586 0.009,587 0.08,588 0.056,589 0.055,590 0.024,591 0.025,592 0.017,593 0.011,594 0.013,595 0.511,596 0.17,597 1,598 0.872,599 105.898,600 -0.091,601 -0.07,602 0.037,603 0.025,604 -0.185,605 0.042,606 0.274,607 0.272,608 0.171,609 0.189,610 0.332,611 0.172,612 -0.059,613 -0.092,614 -0.04,615 -0.06,616 -0.012,617 -0.05,618 -0.031,619 0.028,620 -0.132,621 -0.083,622 0.024,623 -0.113,624 -0.096,625 -0.103,626 -0.177,627 -0.166,628 -0.017,629 -0.178,630 -0.032,631 -0.152,632 -0.12,633 -0.166,634 -0.065,635 -0.155,636 0.245,637 -0.11,638 0.344,639 0.143,640 0.223,641 0.237,642 0.149,643 -0.081,644 0.05,645 -0.051,646 0.017,647 -0.017,648 1.443,649 1.988,650 0.696,651 16.488,652 0.986,653 1.138,654 3.511,655 12.324,656 0.638,657 3.258,658 3.611,659 3.892,660 4.174,661 4.431,662 4.431,663 4.522,664 4.635,665 4.727,666 4.673,667 5.269,668 0.591,669 311.48,670 3.258,671 4.812,672 5.673,673 6.569,674 7.451,675 8.349,676 9.237,677 10.136,678 11.028,679 11.928,680 10.4,684 2,686 1,690 2,695 3,696 2,700 7,702 12,711 2,714 1,718 48,719 12,720 1,721 25,723 50,724 18,725 10,726 4,727 2,729 3,730 4,734 2,736 1,737 1,739 3,741 10,742 8,743 1,753 1,754 1,757 25,758 5,759 4,760 5,764 5,769 0.667,776 1,781 3,785 1,802 2,806 3,810 23,811 2,816 4,820 1,821 1,836 12.5,837 9.35,838 5.056,839 3.046,840 2.267,841 1.323,842 0.982,843 4.445,844 9.295,845 3.466,846 4.078,847 4.64,848 5.196,849 5.723,850 5.885,851 6.16,852 6.503,853 6.864,854 7.088,855 0.833,856 39,857 8.482,859 3.522,860 7.543,861 16.659,863 13.82,865 2.043,866 47,869 1,870 247.193,871 83.482,872 102.49,877 83.482,878 247.193,879 102.49,880 26.047,881 9.709,882 84.747,883 45.342,884 27.671,885 4.227,886 235.422,888 247.193,889 185.972,893 223.651,894 23.542,897 38.306,898 114.095,899 33.571,901 247.193,902 102.49,903 83.482,906 247.193,907 29.435,908 57.171,910 99.365,911 247.193,912 102.49,913 83.482,915 0.59,916 0.355,917 0.195,918 0.112,919 18,920 9,921 0.06,922 3,923 1,924 1.125,925 3.372,926 187.88,927 0.125,928 16,929 104.042,933 16.067,934 6.363,935 3.133,937 102.49,938 6.353,939 8.135,943 7.154,945 65.794,946 433.165,947 31,956 47.345,957 54.644,958 0.244,959 0.613,960 0.85,961 0.895,962 0.902,963 0.902,964 4.727,965 1.401,966 5.687,967 4.076,968 4.29,969 4.762,970 1.059,971 6.532,972 4.225,973 5.944,974 0.484,975 7.273,976 3.636,977 4.007,978 4.677,979 0.325,980 7.499,981 3.912,982 7.265,983 0.397,984 8.956,985 1.044,986 5.922,987 6.951,988 0.636,989 10.613,990 5.805,991 8.617,992 0.191,993 10.693,994 0.768,995 6.399,996 7.619,997 0.268,998 12.399,999 6.259,1000 9.999,1001 -0.234,1002 12.466,1003 0.396,1004 7.832,1005 9.428,1006 0.384,1007 15.06,1008 7.673,1009 11.402,1010 -0.514,1011 14.265,1012 -0.608,1013 8.668,1014 10.453,1015 0.188,1016 17.214,1017 8.489,1018 12.822,1019 -0.681,1020 16.084,1021 -1.242,1022 9.918,1023 12.062,1024 0.232,1025 19.719,1026 9.72,1027 3.234,1028 -0.752,1029 17.919,1030 -1.741,1031 10.924,1032 13.271,1033 0.125,1034 22.036,1035 10.708,1036 2.873,1037 11.445,1038 19.768,1039 -2.075,1040 12.107,1041 14.783,1042 0.14,1043 24.489,1044 11.872,1045 2.404,1046 8.866,1047 21.629,1048 4.178,1049 13.193,1050 16.087,1051 0.082,1052 26.874,1053 12.94,1054 2.343,1055 7.451,1056 23.499,1057 3.88,1058 14.353,1059 17.552,1060 0.085,1061 29.311,1062 14.082,1063 2.075,1064 6.997,1065 25.377,1066 2.998,1067 15.478,1068 18.907,1069 0.054,1070 31.725,1071 15.189,1072 1.819,1073 5.771,1074 27.263,1075 2.778,1076 16.633,1077 20.347,1078 0.052,1079 34.159,1080 16.326,1081 1.488,1082 5.127,1083 29.154,1084 2.691,1085 17.776,1086 21.729,1087 0.035,1088 36.585,1089 17.452,1090 5024,1091 7482,1092 16.126,1093 30.643,1094 37.419,1095 37.582,1096 39.607,1097 37.47,1098 37.417,1099 46.694,1100 2.96,1101 111.153,1102 36.111,1103 5.479,1104 5.457,1105 6.396,1106 5.283,1107 5.234,1108 7.178,1109 1.48,1110 18.649,1111 5.172,1112 13.245,1113 1.497,1114 1.503,1115 1.584,1116 1.499,1117 1.497,1118 1.868,1119 0.118,1120 4.446,1121 1.444,1122 4.06,1123 4.094,1124 4.004,1125 3.99,1126 5.291,1127 3.989,1128 3.854,1129 3.91,1130 3.812,1131 3.696,1132 4.979,1133 3.717,1134 3.602,1135 3.666,1136 3.465,1137 3.479,1138 4.72,1139 3.467,1140 3.419,1141 3.496,1142 3.262,1143 3.262,1144 4.444,1145 3.253,1146 3.309,1147 3.408,1148 3.1,1149 3.093,1150 4.187,1151 3.081,1152 3.128,1153 3.232,1154 2.983,1155 2.906,1156 4.046,1157 2.913,1158 2.987,1159 3.103,1160 2.806,1161 2.749,1162 3.922,1163 2.726,1164 2.943,1165 3.064,1166 2.677,1167 2.631,1168 3.745,1169 2.65,1170 0.181,1171 0.138,1172 0.275,1173 0.169,1174 0.129,1175 4.531,1176 0.167,1177 3.457,1178 0.032,1179 6.875,1180 0.458,1181 4.214,1182 0.127,1183 3.234,1184 4.178,1185 0.8,1186 11.445,1187 3.172,1188 2.025,1189 1.997,1190 2.136,1191 2.119,1192 1.429,1193 2.126,1194 1.787,1195 1.739,1196 1.916,1197 1.975,1198 1.165,1199 1.954,1200 1.613,1201 1.554,1202 1.849,1203 1.779,1204 1.027,1205 1.81,1206 1.417,1207 1.346,1208 1.664,1209 1.622,1210 0.803,1211 1.645,1212 1.314,1213 1.217,1214 1.649,1215 1.566,1216 0.732,1217 1.603,1218 1.081,1219 0.997,1220 1.455,1221 1.384,1222 0.569,1223 1.38,1224 1.01,1225 0.897,1226 1.333,1227 1.297,1228 0.362,1229 1.353,1230 0.876,1231 0.754,1232 1.219,1233 1.239,1234 0.24,1235 1.253,1236 3.932,1238 5.273,1240 6.819,1242 8.465,1244 10.165,1246 6.721,1250 11.571,1252 4.09,1256 0.589,1257 2.388,1262 28.375,1263 65.314,1264 164.265,1265 227.814,1266 239.814,1267 241.814,1268 241.814,1269 32.345,1270 7.028,1271 81.06,1272 81.06,1273 18,1274 12.452,1275 3.7,1276 2.807,1277 36.709,1278 73,1279 76,1280 0.254,1281 177.659,1282 300.24,1283 425.249,1284 9440,1286 16.56,1287 0.72,1288 0.615,1289 16.56,1290 14.134,1291 10.99,1292 0.44,1293 0.329,1294 8.145,1295 10.679,1296 7.818,1297 6.563,1298 10.99,1299 8.229,1300 10.17,1301 0.283,1302 0.18,1303 10.17,1304 6.473,1305 8.515,1306 0.177,1307 0.1,1308 8.515,1309 4.78,1310 7.141,1311 0.112,1312 0.054,1313 7.141,1314 3.445,1315 6.092,1316 0.073,1317 0.033,1318 6.092,1319 2.71,1320 0.387,1321 68.042,1322 0.249,1323 22.128,1324 0.731,1325 122,1326 273.56,1327 130.132,1328 277.715,1329 391.81,1330 260,1331 145,1332 302.437,1333 153.16,1334 312.908,1335 456.07,1336 293,1337 4.357}
{0 CHEMBL57459,1 1.468,2 8.526,3 1.779,4 3.165,5 76.041,6 7.854,7 0.81,8 3.587,9 3.724,10 3.198,11 3.152,12 4.803,13 3.146,14 4.026,15 4.19,16 3.536,17 3.522,18 5.225,19 3.488,20 4.23,21 4.421,22 3.531,23 3.624,24 5.321,25 3.563,26 4.288,27 4.531,28 3.308,29 3.541,30 5.34,31 3.43,32 4.169,33 4.427,34 3.148,35 3.392,36 5.134,37 3.271,38 4.023,39 4.29,40 3.036,41 3.202,42 5.03,43 3.108,44 3.841,45 4.101,46 2.965,47 3.035,48 4.882,49 2.956,50 3.639,51 3.888,52 2.811,53 2.797,54 4.863,55 2.74,56 0.04,57 0.527,58 5.919,59 2.355,60 10.047,61 3.097,62 0.133,63 0.794,64 9.893,65 4.21,66 17.22,67 5.635,68 0.091,69 0.921,70 12.877,71 4.912,72 17.122,73 6.756,74 0.199,75 0.9,76 15.432,77 5.433,78 31.996,79 7.701,80 0.11,81 0.768,82 14.24,83 5.17,84 23.229,85 7.491,86 0.14,87 0.671,88 12.547,89 3.908,90 23.435,91 5.75,92 0.074,93 0.565,94 10.301,95 3.423,96 15.138,97 5.073,98 0.152,99 0.486,100 8.094,101 2.342,102 20.497,103 3.418,104 5,105 29,106 0.271,107 0.624,108 0.788,109 0.89,110 0.89,111 0.89,112 3.01,113 0.847,114 -3.33,115 -3.31,116 -3.17,119 43.8,121 1,139 5,140 3,142 2,143 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 5,172 3,173 3,175 1,178 9,180 1,182 5,187 1,189 9,191 1,193 3,195 1,196 1,197 1,198 2,200 2,201 6,204 2,205 1,207 5,212 3,215 3,218 3,221 5,226 3,229 1,231 3,234 2,239 3,243 3,245 2,246 2,248 1,249 1,251 3,256 3,265 1,270 1,273 393,274 12.878,275 12.878,276 12.878,277 12.878,278 12.878,279 10.783,280 11.769,281 7.638,282 13.121,283 10.382,284 10.382,285 10.382,286 10.382,287 10.382,288 7.344,289 16.208,290 3.662,291 10.779,292 3.532,293 1.626,294 0.738,295 0.188,296 0.188,297 0.188,298 3.693,300 1,301 1,302 1,303 352,304 2,307 146.849,311 76.751,314 1.235,315 13.435,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 40.5,327 162,328 4.414,329 3.137,330 6.196,331 3.942,332 2.959,333 4.338,334 0.68,335 9.278,336 2.914,337 4.232,338 2.889,339 6.075,340 3.793,341 2.83,342 3.886,344 8.794,345 2.726,346 3.653,347 2.482,348 5.25,349 3.252,350 2.289,351 3.066,353 6.654,354 2.206,355 3.39,356 2.153,357 4.916,358 2.951,359 2.01,360 2.711,362 5.639,363 1.881,364 3.118,365 1.618,366 4.415,367 2.604,368 1.618,369 2.427,371 4.367,372 1.593,373 2.903,374 1.573,375 4.127,376 2.403,377 1.452,378 2.092,380 3.657,381 1.382,382 2.814,383 1.401,384 3.616,385 2.325,386 1.37,387 1.944,389 2.997,390 1.301,391 2.192,392 0.774,393 3.199,394 1.688,395 0.714,396 1.046,398 1.65,399 0.694,400 1.629,401 0.559,402 3.016,403 1.305,404 0.356,405 0.439,407 0.864,408 0.337,409 1.113,410 -0.087,411 2.389,412 0.695,413 -0.271,414 -0.356,415 -0.664,416 -0.261,417 0.882,418 -0.314,419 2.358,420 0.393,421 -0.514,422 -0.621,423 -1.242,424 -0.466,425 0.798,426 -0.618,427 2.163,428 0.367,429 -0.618,430 -0.927,431 -1.593,432 -0.608,433 0.556,434 -0.676,435 2,436 0.165,437 -0.803,438 -1.076,439 -2.088,440 -0.774,441 0.363,442 -1.022,443 1.817,444 -0.115,445 -1.099,446 -1.554,448 -2.945,449 -1.075,450 0.065,451 -1.164,452 1.379,453 -0.302,454 -1.251,455 -1.739,457 -3.472,458 -1.189,459 9,460 0.474,461 0.452,462 0.024,463 29.5,464 1.553,465 17,466 0.895,467 12.5,468 0.658,469 10.316,470 0.543,471 19.2,472 0.6,473 18.259,474 0.961,475 5.872,476 0.309,477 3.348,478 0.176,479 0.089,481 0.333,485 1.129,486 1.121,487 0.788,488 0.841,489 1.292,490 0.778,491 0.528,492 0.894,493 0.768,494 0.949,495 0.479,496 0.904,497 1.053,498 1.186,499 1.065,500 1.144,501 0.888,502 1.113,503 1.003,504 0.872,505 1.175,506 1.066,507 1.012,508 1.132,509 0.807,510 1.01,511 0.989,512 1.082,513 0.892,514 1.066,515 1.21,516 0.938,517 1.024,518 0.89,519 1.188,520 0.922,521 0.888,522 1.18,523 0.804,524 0.997,525 0.794,526 0.908,527 1.146,528 0.993,529 1.079,530 0.997,531 1.252,532 1.023,533 4,534 0.025,535 2,536 1,537 1.129,538 0.264,539 0.363,540 0.22,541 0.094,542 0.094,543 3413,544 9493,545 2.113,546 40.6,547 2,548 5,550 2,551 4,555 1.6,556 2,557 3.093,558 1.986,560 1,562 1,564 46.982,565 1.468,566 3.374,567 4.262,568 4.813,569 4.813,570 4.813,571 2.505,572 4.248,573 4.223,574 3.178,575 543.4,576 7.175,577 5294.82,578 1,579 1,581 1,582 160,583 1.324,584 4.189,585 0.19,586 0.008,587 0.069,588 0.036,589 0.054,590 0.015,591 0.023,592 0.015,593 0.008,594 0.013,595 0.431,596 0.5,597 1,598 0.565,599 82.375,600 -0.212,601 0.023,602 0.004,603 0.111,604 -0.312,605 0.094,606 0.32,607 0.186,608 0.069,609 0.03,610 0.252,611 0.015,612 -0.181,613 -0.157,614 -0.188,615 -0.172,616 -0.123,617 -0.179,618 -0.077,619 0.085,620 -0.21,621 -0.089,622 -0.06,623 -0.155,624 -0.019,625 -0.124,626 0.006,627 -0.062,628 -0.026,629 -0.031,630 -0.177,631 -0.008,633 0.073,634 -0.163,635 0.065,636 0.054,637 -0.276,638 0.216,639 -0.013,640 0.148,641 0.1,642 0.189,643 0.03,644 -0.066,645 -0.12,646 0.056,647 -0.129,648 1.469,649 1.838,650 0.842,651 12.299,652 1.001,653 1.13,654 2.099,655 4.406,656 0.69,657 3.091,658 3.401,659 3.638,660 3.871,661 4.111,662 4.043,663 4.111,664 4.234,665 4.304,666 4.19,667 4.981,668 0.663,669 251.32,670 3.091,671 4.615,672 5.451,673 6.315,674 7.166,675 8.032,676 8.888,677 9.753,678 10.612,679 11.478,680 15.6,684 2,690 3,694 2,695 7,696 3,700 4,702 17,711 2,718 32,719 17,720 1,721 21,723 34,724 14,725 13,726 3,727 3,729 3,730 4,739 1,741 13,742 1,754 1,757 13,758 5,759 4,760 5,764 5,769 0.667,775 1,776 1,781 3,785 1,802 2,810 19,811 2,816 1,836 9.5,837 5.6,838 4.139,839 1.708,840 3.399,841 1.513,842 1.039,843 2.918,844 10.021,845 3.418,846 4.078,847 4.677,848 5.272,849 5.872,850 6.045,851 6.407,852 6.867,853 7.28,854 7.35,855 0.833,856 28,857 6.934,859 2.91,860 7.737,861 13.146,863 10.631,865 2.237,866 42.5,867 0.001,870 105.94,871 83.326,872 116.151,877 83.326,878 105.94,879 116.151,881 2.535,882 113.176,883 73.899,884 29.183,885 4.227,886 82.398,888 105.94,889 199.477,893 105.94,897 24.673,898 124.448,899 50.357,901 105.94,902 116.151,903 83.326,906 105.94,907 17.85,908 65.476,910 116.151,911 105.94,912 116.151,913 83.326,915 0.581,916 0.334,917 0.178,918 0.1,919 15,920 6,921 0.059,922 2,923 1,924 1.125,925 3.208,926 138.788,927 0.125,928 16,929 80.711,933 11.724,934 4.729,935 2.428,936 2.086,937 116.151,938 13.544,939 12.23,943 2.64,945 65.794,946 305.417,947 29.5,956 32.043,957 36.152,958 0.294,959 0.675,960 0.852,961 0.963,962 0.963,963 0.963,964 4.618,965 0.714,966 5.425,967 2.997,968 4.078,969 4.762,970 0.655,971 6.192,972 4.01,973 5.842,974 0.356,975 6.956,976 1.65,977 3.611,978 4.559,980 6.969,981 3.516,982 7.149,983 -0.271,984 8.581,985 0.864,986 5.631,987 7.034,988 0.356,989 10.034,990 5.509,991 8.492,992 -0.514,993 10.261,994 -0.664,995 5.943,996 7.628,998 11.605,999 5.799,1000 9.862,1001 -0.618,1002 11.976,1003 -1.242,1004 7.444,1005 9.571,1006 0.18,1007 14.167,1008 7.277,1009 11.252,1010 -0.803,1011 13.714,1012 -1.593,1013 8.137,1014 10.572,1016 16.082,1017 7.951,1018 12.659,1019 -1.099,1020 15.469,1021 -2.088,1022 9.404,1023 12.265,1024 0.087,1025 18.445,1026 9.198,1027 2.959,1028 -1.251,1029 17.236,1030 -2.945,1031 10.288,1032 13.483,1034 20.518,1035 10.064,1036 2.83,1037 9.278,1038 19.013,1039 -3.472,1040 11.447,1041 15.051,1042 0.041,1043 22.796,1044 11.203,1045 2.289,1046 8.794,1047 20.798,1048 4.338,1049 12.426,1050 16.383,1052 24.942,1053 12.164,1054 2.01,1055 6.654,1056 22.588,1057 3.886,1058 13.535,1059 17.89,1060 0.019,1061 27.183,1062 13.254,1063 1.618,1064 5.639,1065 24.383,1066 3.066,1067 14.56,1068 19.281,1070 29.363,1071 14.262,1072 1.452,1073 4.367,1074 26.182,1075 2.711,1076 15.647,1077 20.76,1078 0.009,1079 31.588,1080 15.331,1081 1.37,1082 3.657,1083 27.983,1084 2.427,1085 16.695,1086 22.182,1088 33.785,1089 16.362,1090 3295,1091 5580,1092 14.216,1093 22.074,1094 31.404,1095 31.32,1096 31.907,1097 31.212,1098 31.197,1099 43.896,1100 1.36,1101 87.799,1102 30.067,1103 5.174,1104 5.137,1105 5.883,1106 5.012,1107 4.959,1108 7.338,1109 1.36,1110 15.652,1111 4.914,1112 7.423,1113 1.495,1114 1.491,1115 1.519,1116 1.486,1117 1.486,1118 2.09,1119 0.065,1120 4.181,1121 1.432,1122 4.078,1123 4.107,1124 4.035,1125 4.014,1126 5.291,1127 4.015,1128 3.857,1129 3.912,1130 3.821,1131 3.702,1132 4.996,1133 3.723,1134 3.48,1135 3.532,1136 3.393,1137 3.366,1138 4.975,1139 3.367,1140 3.152,1141 3.245,1142 3.031,1143 2.966,1144 4.469,1145 2.972,1146 3.011,1147 3.113,1148 2.888,1149 2.806,1150 4.339,1151 2.815,1152 2.925,1153 3.013,1154 2.786,1155 2.64,1156 3.959,1157 2.665,1158 2.742,1159 2.84,1160 2.585,1161 2.536,1162 3.746,1163 2.545,1164 2.483,1165 2.576,1166 2.304,1167 2.256,1168 3.602,1169 2.256,1170 0.21,1171 0.149,1172 0.295,1173 0.188,1174 0.141,1175 4.414,1176 0.207,1177 3.137,1178 0.032,1179 6.196,1180 0.442,1181 3.942,1182 0.139,1183 2.959,1184 4.338,1185 0.68,1186 9.278,1187 2.914,1188 2.048,1189 2.024,1190 2.13,1191 2.13,1192 1.276,1193 2.132,1194 1.783,1195 1.738,1196 1.875,1197 1.969,1198 0.984,1199 1.942,1200 1.465,1201 1.418,1202 1.626,1203 1.616,1204 0.63,1205 1.626,1206 1.11,1207 1.04,1208 1.354,1209 1.388,1210 0.365,1211 1.383,1212 0.955,1213 0.881,1214 1.233,1215 1.265,1216 0.201,1217 1.274,1218 0.864,1219 0.752,1220 1.162,1221 1.135,1223 1.15,1224 0.718,1225 0.629,1226 1.052,1227 1.001,1229 1.029,1230 0.466,1231 0.371,1232 0.797,1233 0.724,1235 0.753,1236 3.761,1238 5.069,1240 6.581,1242 8.184,1244 9.83,1250 11.323,1252 0.678,1262 21.214,1263 46.982,1264 107.984,1265 136.39,1266 154,1267 154,1268 154,1269 20.659,1270 6.623,1271 90.71,1272 90.71,1273 18,1274 12.025,1275 4.17,1276 3.248,1277 27.908,1278 57,1279 52,1280 0.245,1281 133.435,1282 214.86,1283 317.342,1284 6002,1286 13.242,1287 0.697,1288 0.539,1289 13.242,1290 10.245,1291 9.22,1292 0.439,1293 0.282,1294 5.861,1295 8.944,1296 5.729,1297 4.77,1298 9.22,1299 5.927,1300 8.375,1301 0.289,1302 0.15,1303 8.375,1304 4.346,1305 6.894,1306 0.186,1307 0.081,1308 6.894,1309 2.979,1310 5.691,1311 0.121,1312 0.043,1313 5.691,1314 2.025,1315 4.722,1316 0.079,1317 0.023,1318 4.722,1319 1.404,1320 0.379,1321 57.216,1322 0.265,1323 18.999,1324 0.684,1325 100,1326 269.56,1327 107.771,1328 273.938,1329 381.92,1330 256,1331 116,1332 290.437,1333 123.161,1334 299.125,1335 431.52,1336 281,1337 4.745}
{0 CHEMBL57582,1 1.325,2 8.619,3 4.42,4 19.536,5 91.046,6 6.321,7 0.545,8 3.854,9 4.01,10 3.261,11 3.378,12 4.897,13 3.318,14 4.373,15 4.595,16 3.584,17 3.756,18 5.331,19 3.658,20 4.58,21 4.812,22 3.683,23 3.925,24 5.469,25 3.814,26 4.695,27 4.922,28 3.65,29 4.012,30 5.61,31 3.867,32 4.84,33 5.104,34 3.531,35 4.039,36 5.629,37 3.846,38 4.887,39 5.207,40 3.342,41 3.918,42 5.587,43 3.69,44 4.716,45 5.06,46 3.275,47 3.69,48 5.39,49 3.482,50 4.395,51 4.686,52 3.137,53 3.439,54 5.34,55 3.291,56 0.066,57 0.662,58 10.731,59 4.011,60 10.825,61 6.068,62 0.197,63 1.004,64 18.048,65 7.198,66 22.933,67 10.435,68 0.138,69 1.201,70 22.131,71 8.309,72 19.757,73 12.574,74 0.208,75 1.325,76 24.894,77 9.607,78 31.125,79 14.253,80 0.166,81 1.398,82 28.445,83 11.006,84 27.953,85 16.504,86 0.213,87 1.312,88 29.832,89 10.656,90 32.891,91 16.454,92 0.164,93 1.071,94 25.048,95 8.69,96 24.161,97 13.635,98 0.191,99 0.884,100 18.84,101 4.964,102 29.608,103 8.667,104 35,105 30,106 0.232,107 0.537,108 0.692,109 0.719,110 0.751,111 0.783,112 3.103,113 1.035,114 -5.02,115 -4.92,116 -4.61,119 37.8,120 3,121 4,139 2,140 5,142 1,144 1,147 1,157 2,158 2,159 2,166 14,169 1,170 2,172 3,173 3,175 1,178 18,180 1,182 2,187 1,189 21,191 1,193 2,195 1,196 1,197 1,198 2,200 2,201 19,204 2,205 1,207 4,212 3,215 13,218 3,221 4,226 3,229 5,231 3,234 6,239 5,241 1,243 5,246 6,251 5,256 5,260 2,265 4,270 4,273 548,274 14.127,275 14.127,276 14.127,277 14.127,278 14.127,279 12.574,280 19.547,281 8.17,282 14.307,283 10.642,284 10.642,285 10.642,286 10.642,287 10.642,288 8.164,289 21.964,290 3.589,291 10.938,292 4.167,293 2.43,294 1.546,295 1.395,296 1.212,297 1.028,298 3.759,301 1,302 1,303 367,304 2.739,307 144.113,314 1.197,315 13.528,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 44,327 181,328 4.429,329 3.298,330 6.525,331 4.071,332 3.072,333 4.113,334 0.68,335 10.267,336 3.069,337 4.228,338 3.061,339 6.088,340 3.817,341 2.856,342 3.875,344 8.842,345 2.751,346 3.599,347 2.519,348 5.281,349 3.244,350 2.278,351 2.933,353 6.714,354 2.205,355 3.362,356 2.358,357 5.19,358 3.061,359 2.061,360 2.662,362 6.118,363 2.061,364 3.355,365 2.162,366 4.921,367 2.944,368 1.999,369 2.604,371 5.65,372 1.877,373 2.823,374 1.623,375 4.146,376 2.358,377 1.422,378 1.952,380 3.672,381 1.328,382 2.204,383 1.486,384 3.769,385 2.139,386 1.142,387 1.189,389 2.394,390 1.138,391 1.618,392 0.655,393 3.009,394 1.398,395 0.423,396 0.481,398 0.887,399 0.41,400 1.576,401 0.456,402 2.859,403 1.396,404 0.396,405 0.452,407 0.603,408 0.396,409 1.394,410 0.367,411 2.491,412 1.241,413 0.268,414 0.298,415 0.375,416 0.261,417 0.957,418 -0.13,419 2.359,420 0.676,421 -0.304,422 -0.362,423 -0.593,424 -0.297,425 0.796,426 -0.314,427 2.305,428 0.393,429 -0.514,430 -0.621,431 -1.242,432 -0.466,433 0.65,434 -0.567,435 2.294,436 0.306,437 -0.694,438 -0.878,439 -1.641,440 -0.694,441 0.454,442 -0.61,443 1.853,444 0.214,445 -0.767,446 -0.878,448 -1.764,449 -0.752,450 0.051,451 -0.963,452 1.377,453 -0.255,454 -1.205,455 -1.472,457 -3.189,458 -1.136,459 10.1,460 0.481,461 0.503,462 0.024,463 25.5,464 1.214,465 13,466 0.619,467 12.5,468 0.595,469 18.948,470 0.902,471 23.5,472 0.522,473 16.216,474 0.772,475 4.563,476 0.217,477 5.52,478 0.263,479 0.228,481 0.347,485 1.152,486 1.253,487 1.019,488 1.097,489 1.33,490 1.054,491 0.385,492 0.89,493 0.807,494 0.974,495 0.388,496 0.938,497 0.856,498 1.089,499 0.931,500 1.032,501 0.742,502 0.996,503 0.855,504 1.126,505 1.208,506 1.272,507 0.862,508 1.274,509 0.703,510 1.204,511 1.147,512 1.308,513 0.713,514 1.276,515 0.704,516 0.947,517 0.921,518 0.999,519 0.752,520 0.984,521 0.447,522 0.898,523 0.591,524 0.787,525 0.466,526 0.717,527 1.678,528 1.225,529 1.166,530 1.043,531 1.549,532 1.053,533 5,534 0.029,535 2.444,536 1.813,537 1.538,538 0.59,539 0.507,540 0.326,541 0.189,542 0.133,543 3742,544 8040,545 1.941,546 53.3,547 17,548 2,550 1,551 4,555 1.635,556 1.775,557 3.08,558 1.827,560 1,564 59.607,565 1.325,566 3.062,567 3.946,568 4.096,569 4.28,570 4.464,571 2.475,572 3.916,573 4.365,574 3.198,575 671.503,576 7.494,577 7089.8,579 1,581 1,582 247.133,583 1.545,584 4.294,585 0.227,586 0.007,587 0.081,588 0.055,589 0.051,590 0.024,591 0.025,592 0.016,593 0.012,594 0.015,595 0.514,596 0.17,597 1,598 1.103,599 94.117,600 -0.119,601 0.04,602 0.008,603 0.062,604 -0.208,605 0.05,606 0.445,607 0.23,608 0.179,609 0.126,610 0.348,611 0.127,612 -0.023,613 0.006,614 0.051,615 0.051,616 0.01,617 0.057,618 -0.02,619 -0.02,620 -0.23,621 -0.188,622 0.001,623 -0.223,624 -0.05,625 -0.214,626 -0.202,627 -0.253,628 -0.015,629 -0.244,630 0.026,631 -0.077,632 0.019,633 -0.032,634 -0.009,635 -0.011,636 0.249,637 -0.093,638 0.343,639 0.153,640 0.226,641 0.24,642 -0.189,643 -0.208,644 -0.137,645 -0.157,646 -0.151,647 -0.144,648 1.443,649 1.935,650 0.571,651 15.138,652 0.983,653 1.137,654 3.793,655 14.385,656 0.636,657 3.135,658 3.434,659 3.689,660 3.912,661 4.078,662 4.025,663 4.06,664 4.078,665 4.078,666 3.97,667 5.126,668 0.586,669 284.45,670 3.135,671 4.654,672 5.493,673 6.365,674 7.222,675 8.096,676 8.959,677 9.833,678 10.698,679 11.573,680 8.9,684 2,690 2,695 3,696 2,700 7,702 12,711 2,718 45,719 12,720 1,721 22,723 46,724 17,725 10,726 4,727 2,729 2,730 2,734 3,739 4,741 10,742 7,754 1,757 24,758 4,759 4,760 4,764 4,769 1,776 1,781 2,802 2,806 3,810 21,811 2,816 4,836 11.833,837 8.817,838 4.917,839 3.113,840 2.252,841 1.354,842 0.961,843 5.053,844 8.619,845 3.367,846 3.97,847 4.527,848 5.056,849 5.554,850 5.657,851 5.856,852 6.165,853 6.499,854 6.738,855 0.833,856 33,857 7.728,859 3.091,860 7.579,861 15.086,863 11.957,865 2.079,866 43.667,867 0.001,869 1,870 235.422,871 84.769,872 99.365,877 84.769,878 235.422,879 99.365,880 26.476,881 10.138,882 84.747,883 45.342,884 24.975,885 4.227,886 223.651,888 235.422,889 184.134,893 235.422,897 47.56,898 103.003,899 33.571,901 235.422,902 99.365,903 84.769,906 235.422,907 30.293,908 54.476,910 99.365,911 235.422,912 99.365,913 84.769,915 0.569,916 0.353,917 0.195,918 0.103,919 13,920 7,921 0.109,922 5,924 1,925 3.183,926 154.489,928 12,929 84.239,933 15.619,934 6.794,935 3.466,937 99.365,938 6.296,939 8.075,943 7.242,945 65.794,946 419.556,947 28,956 44.243,957 51.145,958 0.241,959 0.557,960 0.719,961 0.746,962 0.779,963 0.813,964 4.585,965 0.423,966 5.485,967 2.394,968 4.111,969 4.654,970 0.655,971 6.293,972 4.063,973 5.801,974 0.396,975 7.05,976 0.887,977 3.761,978 4.559,980 7.209,981 3.695,982 7.118,983 0.268,984 8.711,985 0.603,986 5.707,987 6.872,988 0.356,989 10.267,990 5.625,991 8.471,992 -0.304,993 10.425,994 0.375,995 6.133,996 7.524,998 11.957,999 6.044,1000 9.851,1001 -0.514,1002 12.173,1003 -0.593,1004 7.57,1005 9.351,1006 0.18,1007 14.547,1008 7.466,1009 11.249,1010 -0.694,1011 13.944,1012 -1.242,1013 8.356,1014 10.355,1016 16.577,1017 8.251,1018 12.662,1019 -0.767,1020 15.731,1021 -1.641,1022 9.591,1023 11.973,1024 0.087,1025 18.997,1026 9.474,1027 3.072,1028 -1.205,1029 17.531,1030 -1.764,1031 10.548,1032 13.159,1034 21.181,1035 10.431,1036 2.856,1037 10.267,1038 19.342,1039 -3.189,1040 11.701,1041 14.673,1042 0.041,1043 23.535,1044 11.576,1045 2.278,1046 8.842,1047 21.162,1048 4.113,1049 12.737,1050 15.956,1052 25.79,1053 12.613,1054 2.061,1055 6.714,1056 22.988,1057 3.875,1058 13.859,1059 17.417,1060 0.019,1061 28.12,1062 13.73,1063 1.999,1064 6.118,1065 24.821,1066 2.933,1067 14.932,1068 18.752,1070 30.408,1071 14.804,1072 1.422,1073 5.65,1074 26.659,1075 2.662,1076 16.042,1077 20.185,1078 0.009,1079 32.73,1080 15.912,1081 1.142,1082 3.672,1083 28.501,1084 2.604,1085 17.133,1086 21.549,1088 35.034,1089 17.004,1090 3895,1091 5853,1092 13.929,1093 28.637,1094 31.721,1095 32.151,1096 34.484,1097 31.885,1098 31.834,1099 41.12,1100 1.36,1101 91.044,1102 30.992,1103 5.201,1104 5.298,1105 6.067,1106 5.14,1107 5.072,1108 7.113,1109 1.36,1110 17.188,1111 5.069,1112 12.628,1113 1.442,1114 1.461,1115 1.567,1116 1.449,1117 1.447,1118 1.869,1119 0.062,1120 4.138,1121 1.409,1122 4.03,1123 4.061,1124 3.973,1125 3.976,1126 5.291,1127 3.971,1128 3.838,1129 3.892,1130 3.796,1131 3.685,1132 4.979,1133 3.706,1134 3.478,1135 3.557,1136 3.284,1137 3.342,1138 4.692,1139 3.318,1140 3.419,1141 3.499,1142 3.26,1143 3.272,1144 4.44,1145 3.259,1146 3.347,1147 3.434,1148 3.118,1149 3.176,1150 4.069,1151 3.151,1152 3.106,1153 3.218,1154 2.951,1155 2.857,1156 4.024,1157 2.866,1158 2.952,1159 3.071,1160 2.778,1161 2.631,1162 3.932,1163 2.655,1164 2.757,1165 2.868,1166 2.544,1167 2.565,1168 3.744,1169 2.538,1170 0.201,1171 0.15,1172 0.297,1173 0.185,1174 0.14,1175 4.429,1176 0.187,1177 3.298,1178 0.031,1179 6.525,1180 0.467,1181 4.071,1182 0.14,1183 3.072,1184 4.113,1185 0.68,1186 10.267,1187 3.069,1188 2.008,1189 1.984,1190 2.123,1191 2.084,1192 1.374,1193 2.097,1194 1.772,1195 1.726,1196 1.884,1197 1.956,1198 1.059,1199 1.936,1200 1.513,1201 1.44,1202 1.822,1203 1.702,1204 1.012,1205 1.748,1206 1.441,1207 1.364,1208 1.772,1209 1.648,1210 0.935,1211 1.695,1212 1.363,1213 1.283,1214 1.627,1215 1.572,1216 0.672,1217 1.602,1218 1.05,1219 0.958,1220 1.337,1221 1.377,1222 0.371,1223 1.371,1224 0.877,1225 0.755,1226 1.224,1227 1.239,1228 0.249,1229 1.255,1230 0.76,1231 0.676,1232 1.125,1233 1.042,1234 0.136,1235 1.07,1236 3.807,1238 5.106,1240 6.616,1242 8.225,1244 9.883,1246 6.635,1250 11.483,1252 3.936,1262 26.354,1263 59.607,1264 137.772,1265 177.585,1266 184.339,1267 192.604,1268 200.869,1269 32.432,1270 6.366,1271 77.82,1272 77.82,1273 12,1274 12.114,1275 3.7,1276 2.807,1277 39.145,1278 64,1279 64,1280 0.308,1281 168.666,1282 284.3,1283 403.306,1284 3874,1286 15.405,1287 0.734,1288 0.624,1289 15.405,1290 13.11,1291 10.083,1292 0.458,1293 0.345,1294 7.538,1295 9.877,1296 7.228,1297 6.122,1298 10.083,1299 7.589,1300 8.637,1301 0.288,1302 0.176,1303 8.637,1304 5.269,1305 7.249,1306 0.186,1307 0.101,1308 7.249,1309 3.921,1310 5.991,1311 0.122,1312 0.058,1313 5.991,1314 2.847,1315 4.639,1316 0.08,1317 0.033,1318 4.639,1319 1.938,1320 0.47,1321 61.939,1322 0.268,1323 20.556,1324 0.879,1325 104,1326 235.915,1327 110.05,1328 241.71,1329 339.45,1330 226,1331 121,1332 259.972,1333 126.329,1334 268.731,1335 389.51,1336 253,1337 4.42}
{0 CHEMBL57610,1 1.596,2 9.261,3 3.483,4 12.132,5 99.028,6 7.764,7 0.5,8 3.847,9 4.001,10 3.431,11 3.321,12 5.018,13 3.299,14 4.325,15 4.542,16 3.78,17 3.667,18 5.433,19 3.62,20 4.511,21 4.736,22 3.913,23 3.796,24 5.625,25 3.75,26 4.533,27 4.745,28 3.862,29 3.807,30 5.698,31 3.745,32 4.61,33 4.851,34 3.788,35 3.815,36 5.696,37 3.737,38 4.639,39 4.896,40 3.794,41 3.825,42 5.675,43 3.698,44 4.591,45 4.862,46 3.751,47 3.704,48 5.647,49 3.544,50 4.31,51 4.571,52 3.326,53 3.428,54 5.317,55 3.258,56 0.101,57 0.669,58 8.861,59 3.266,60 12.348,61 4.785,62 0.239,63 0.948,64 16.767,65 5.517,66 23.339,67 8.167,68 0.3,69 1.079,70 22.368,71 5.574,72 30.39,73 8.899,74 0.303,75 1.115,76 22.473,77 6.031,78 37.971,79 9.386,80 0.341,81 1.149,82 23.123,83 5.926,84 40.963,85 9.747,86 0.316,87 1.062,88 25.656,89 7.641,90 41.783,91 11.538,92 0.472,93 0.856,94 32.351,95 7.71,96 53.907,97 11.493,98 0.365,99 0.654,100 25.525,101 5.952,102 35.795,103 8.51,104 44,105 33,106 0.281,107 0.655,108 0.805,109 0.865,110 0.865,111 0.865,112 3.188,113 0.96,114 -4.54,115 -4.47,116 -4.2,119 34.9,120 2,121 1,124 1,125 1,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 5,172 3,173 3,175 1,178 6,180 1,182 8,187 1,189 6,191 1,193 12,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,207 8,212 4,215 4,218 4,220 2,221 3,223 1,224 1,226 2,229 2,231 2,233 2,234 4,236 1,237 1,239 2,241 4,243 2,245 2,246 2,248 2,249 2,254 3,260 1,262 1,263 1,265 1,270 1,273 734,274 15.171,275 15.171,276 15.171,277 15.171,278 15.171,279 13.498,280 20.501,281 8.806,282 15.599,283 11.67,284 11.67,285 11.67,286 11.67,287 11.67,288 9.061,289 24.81,290 3.997,291 12.385,292 3.83,293 1.712,294 0.861,295 0.518,296 0.518,297 0.518,298 3.845,299 1,300 1,301 1,302 1,303 430,304 3.24,307 155.354,314 1.403,315 20.705,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 49.833,327 213,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.4,335 11.076,336 3.094,337 4.183,338 3.11,339 6.047,340 3.725,341 2.794,342 3.814,344 8.672,345 2.582,346 3.635,347 2.561,348 5.304,349 3.276,350 2.33,351 3.011,353 6.624,354 2.202,355 3.448,356 2.385,357 5.038,358 3.163,359 2.241,360 2.572,362 5.869,363 2.05,364 3.3,365 2.226,366 4.984,367 2.932,368 1.985,369 2.545,371 5.702,372 1.876,373 3.103,374 1.964,375 4.756,376 2.679,377 1.732,378 2.313,380 4.93,381 1.632,382 2.894,383 1.802,384 4.222,385 2.448,386 1.524,387 2.006,389 3.921,390 1.357,391 2.286,392 0.851,393 3.328,394 1.722,395 0.741,396 1.037,398 1.558,399 0.721,400 1.749,401 0.734,402 3.172,403 1.545,404 0.574,405 0.649,407 1.115,408 0.548,409 1.403,410 0.477,411 2.75,412 1.187,413 0.247,414 0.269,415 0.385,416 0.22,417 1.251,418 0.243,419 2.516,420 1.017,421 0.081,422 0.095,423 0.146,424 0.074,425 1.049,426 0.008,427 2.433,428 0.6,429 -0.277,430 -0.344,431 -0.654,432 -0.215,433 0.825,434 -0.305,435 2.248,436 0.437,437 -0.479,438 -0.588,439 -1.149,440 -0.437,441 0.663,442 -0.559,443 2.082,444 0.228,445 -0.732,446 -0.894,448 -1.912,449 -0.682,450 0.24,451 -0.675,452 1.727,453 0.016,454 -0.914,455 -1.047,457 -2.174,458 -0.813,459 11.014,460 0.479,461 0.63,462 0.027,463 29.5,464 1.283,465 15,466 0.652,467 14.5,468 0.63,469 18.948,470 0.824,471 25.586,472 0.595,473 21.55,474 0.937,475 5.716,476 0.249,477 5.24,478 0.228,479 0.274,481 0.354,485 0.823,486 1.321,487 0.687,488 1.01,489 1.091,490 0.961,491 0.645,492 0.994,493 0.601,494 0.811,495 0.44,496 0.782,497 1.217,498 1.144,499 0.881,500 0.826,501 0.971,502 0.804,503 1.087,504 1.304,505 1.023,506 1.15,507 0.972,508 1.098,509 1.193,510 1.174,511 0.877,512 0.976,513 1.336,514 1.038,515 0.872,516 1.047,517 0.875,518 1.008,519 1.012,520 1.047,521 0.91,522 0.906,523 1.35,524 1.176,525 0.893,526 1.064,527 1.333,528 0.851,529 1.826,530 1.305,531 1.291,532 1.216,533 5.5,534 0.083,535 2.889,536 2.063,537 1.498,538 0.958,539 0.649,540 0.33,541 0.292,542 0.116,543 4736,544 14101,545 1.922,546 46.5,547 3,548 8,551 4,552 2,553 3,555 1.662,556 1.747,557 3.176,558 1.908,560 1,564 68.636,565 1.596,566 3.714,567 4.565,568 4.908,569 4.908,570 4.908,571 2.682,572 4.35,573 4.492,574 3.312,575 838.042,576 7.76,577 9451.91,579 1,581 1,582 233.329,583 1.565,584 4.417,585 0.229,586 0.009,587 0.088,588 0.057,589 0.044,590 0.031,591 0.023,592 0.014,593 0.018,594 0.008,595 0.522,597 1,598 1.599,599 106.738,600 0.018,601 0.007,602 0.01,603 0.011,604 -0.193,605 0.011,606 0.223,607 0.144,608 0.195,609 0.183,610 0.296,611 0.199,612 -0.158,613 -0.035,614 0.06,615 0.141,616 -0.043,617 0.143,618 -0.073,619 -0.17,620 -0.108,621 -0.168,622 0.019,623 -0.144,624 -0.222,625 -0.079,626 -0.105,627 -0.063,628 -0.255,629 -0.113,630 0.02,631 -0.058,632 0.043,633 -0.018,634 -0.044,635 -0.057,636 0.215,637 -0.051,638 0.04,639 -0.096,640 0.179,641 -0.032,642 -0.066,643 0.023,644 -0.296,645 -0.215,646 -0.162,647 -0.197,648 1.499,649 2.083,650 0.522,651 18.423,652 1.005,653 1.147,654 3.311,655 10.962,656 0.656,657 3.219,658 3.526,659 3.761,660 3.989,661 4.19,662 4.248,663 4.263,664 4.248,665 4.248,666 4.111,667 5.488,668 0.62,669 333.87,670 3.219,671 4.745,672 5.58,673 6.454,674 7.313,675 8.195,676 9.064,677 9.951,678 10.824,679 11.714,680 16.3,684 2,687 1,690 2,692 2,695 3,696 2,700 7,702 12,711 2,717 1,718 43,719 13,720 1,721 24,723 44,724 15,725 10,726 3,727 3,729 2,730 2,731 1,734 2,739 1,741 10,742 5,744 1,750 2,753 1,754 1,757 20,758 7,759 4,760 8,761 1,764 7,769 1,776 1,781 2,802 2,806 3,807 1,810 23,811 2,816 2,821 1,828 1,836 13.167,837 8.56,838 5.278,839 2.652,840 2.692,841 1.409,842 0.949,843 5.745,844 9.268,845 3.466,846 4.06,847 4.64,848 5.215,849 5.76,850 6.053,851 6.377,852 6.694,853 7.001,854 7.18,855 1,856 36,857 8.403,859 3.376,860 7.795,861 15.808,863 12.09,865 2.295,866 52.778,869 1,870 188.338,871 78.728,872 135.571,873 39.149,877 78.728,878 227.486,879 135.571,880 26.047,881 7.642,882 94.223,883 33.571,884 15.385,885 37.431,886 188.338,887 39.149,888 188.338,889 214.299,891 39.149,893 153.024,894 35.313,897 29.948,898 117.576,899 105.923,901 188.338,902 135.571,903 117.877,906 188.338,907 24.253,908 57.477,910 171.718,911 188.338,912 135.571,913 117.877,915 0.576,916 0.341,917 0.176,918 0.098,919 14,920 8,921 0.114,922 5,924 1,925 3.335,926 176.051,928 12,929 104.042,933 17.445,934 7.575,935 4.091,937 135.571,938 5.432,939 8.307,943 3.936,945 65.794,946 441.785,947 31,953 8.257,956 43.222,957 49.339,958 0.294,959 0.684,960 0.841,961 0.905,962 0.905,963 0.905,964 4.691,965 0.741,966 5.58,967 3.921,968 4.205,969 4.745,970 0.278,971 6.392,972 4.093,973 5.912,974 0.574,975 7.149,976 1.558,977 3.892,978 4.62,980 7.338,981 3.696,982 7.225,983 0.247,984 8.817,985 1.115,986 5.802,987 6.953,988 0.05,989 10.421,990 5.606,991 8.574,992 0.081,993 10.54,994 0.385,995 6.256,996 7.602,998 12.192,999 5.994,1000 9.952,1001 -0.277,1002 12.301,1003 0.146,1004 7.678,1005 9.446,1006 0.008,1007 14.828,1008 7.415,1009 11.352,1010 -0.479,1011 14.089,1012 -0.654,1013 8.491,1014 10.474,1016 16.963,1017 8.184,1018 12.77,1019 -0.732,1020 15.897,1021 -1.149,1022 9.729,1023 12.105,1024 0.001,1025 19.442,1026 9.413,1027 3.171,1028 -0.914,1029 17.723,1030 -1.912,1031 10.715,1032 13.328,1034 21.732,1035 10.369,1036 2.794,1037 11.076,1038 19.563,1039 -2.174,1040 11.882,1041 14.857,1043 24.157,1044 11.524,1045 2.33,1046 8.672,1047 21.414,1048 4.257,1049 12.95,1050 16.182,1052 26.511,1053 12.569,1054 2.241,1055 6.624,1056 23.275,1057 3.814,1058 14.094,1059 17.661,1061 28.918,1062 13.697,1063 1.985,1064 5.869,1065 25.144,1066 3.011,1067 15.199,1068 19.039,1070 31.3,1071 14.784,1072 1.732,1073 5.702,1074 27.02,1075 2.572,1076 16.338,1077 20.495,1079 33.702,1080 15.906,1081 1.524,1082 4.93,1083 28.901,1084 2.545,1085 17.463,1086 21.9,1088 36.095,1089 17.012,1090 4952,1091 8687,1092 15.027,1093 28.228,1094 35.237,1095 35.376,1096 37.743,1097 35.054,1098 34.84,1099 45.137,1100 0.8,1101 99.994,1102 32.709,1103 5.227,1104 5.278,1105 6.33,1106 5.216,1107 5.171,1108 7.257,1109 0.8,1110 17.964,1111 5.094,1112 14.727,1113 1.468,1114 1.474,1115 1.573,1116 1.461,1117 1.452,1118 1.881,1119 0.033,1120 4.166,1121 1.363,1122 4.013,1123 4.047,1124 4.054,1125 3.934,1126 5.287,1127 3.938,1128 3.771,1129 3.826,1130 3.824,1131 3.629,1132 5.04,1133 3.643,1134 3.62,1135 3.706,1136 3.506,1137 3.385,1138 4.975,1139 3.391,1140 3.392,1141 3.485,1142 3.289,1143 3.193,1144 4.725,1145 3.184,1146 3.175,1147 3.283,1148 3.204,1149 2.926,1150 4.465,1151 2.939,1152 3.102,1153 3.213,1154 3.007,1155 2.876,1156 4.23,1157 2.873,1158 2.971,1159 3.069,1160 2.899,1161 2.772,1162 4.077,1163 2.762,1164 2.875,1165 2.958,1166 2.762,1167 2.62,1168 3.965,1169 2.639,1170 0.189,1171 0.137,1172 0.282,1173 0.173,1174 0.132,1175 4.535,1176 0.177,1177 3.278,1178 0.017,1179 6.77,1180 0.461,1181 4.146,1182 0.129,1183 3.171,1184 4.257,1185 0.4,1186 11.076,1187 3.094,1188 1.957,1189 1.935,1190 2.024,1191 2.064,1192 1.189,1193 2.053,1194 1.708,1195 1.665,1196 1.871,1197 1.899,1198 1.026,1199 1.886,1200 1.574,1201 1.484,1202 1.842,1203 1.809,1204 1.002,1205 1.823,1206 1.381,1207 1.296,1208 1.615,1209 1.633,1210 0.613,1211 1.652,1212 1.162,1213 1.051,1214 1.56,1215 1.455,1216 0.595,1217 1.495,1218 1.012,1219 0.935,1220 1.267,1221 1.372,1222 0.184,1223 1.356,1224 0.929,1225 0.858,1226 1.153,1227 1.2,1228 0.131,1229 1.185,1230 0.81,1231 0.712,1232 1.117,1233 1.098,1234 0.12,1235 1.118,1236 3.892,1238 5.198,1240 6.706,1242 8.311,1244 9.971,1246 5.802,1247 6.194,1250 11.705,1252 1.434,1257 1.709,1262 26.665,1263 68.636,1264 159.714,1265 196.31,1266 211.065,1267 211.065,1268 211.065,1269 41.686,1270 6.576,1271 105.78,1272 105.78,1273 12,1274 12.246,1275 3.807,1276 3,1277 45.079,1278 74,1279 85,1280 0.304,1281 175.27,1282 295.27,1283 419.419,1284 5160,1285 2.3,1286 16.983,1287 0.738,1288 0.616,1289 17.483,1290 14.171,1291 10.956,1292 0.456,1293 0.32,1294 7.225,1295 10.211,1296 6.926,1297 5.849,1298 11.245,1299 7.682,1300 9.701,1301 0.294,1302 0.163,1303 10.072,1304 5.379,1305 7.88,1306 0.188,1307 0.088,1308 8.26,1309 3.681,1310 6.221,1311 0.117,1312 0.042,1313 6.456,1314 2.205,1315 4.857,1316 0.075,1317 0.023,1318 5.1,1319 1.479,1320 0.465,1321 71.91,1322 0.258,1323 22.297,1324 0.866,1325 114,1326 341.053,1327 141.148,1328 369.161,1329 498.95,1330 342,1331 132,1332 359.942,1333 155.553,1334 373.934,1335 538.98,1336 350,1337 6.244}
{0 CHEMBL57624,1 1.638,2 10.8,3 2.374,4 5.638,5 97.528,6 7.565,7 0.63,8 3.922,9 4.053,10 3.493,11 3.358,12 5.113,13 3.375,14 4.408,15 4.596,16 3.833,17 3.697,18 5.549,19 3.705,20 4.531,21 4.7,22 3.938,23 3.858,24 5.701,25 3.846,26 4.673,27 4.873,28 3.849,29 3.918,30 5.753,31 3.849,32 4.773,33 5.017,34 3.68,35 3.888,36 5.754,37 3.779,38 4.686,39 4.957,40 3.501,41 3.748,42 5.589,43 3.625,44 4.509,45 4.77,46 3.452,47 3.615,48 5.418,49 3.514,50 4.413,51 4.671,52 3.396,53 3.522,54 5.43,55 3.429,56 0.082,57 0.699,58 9.271,59 3.374,60 11.79,61 4.687,62 0.369,63 1.019,64 17.55,65 5.429,66 29.432,67 7.555,68 0.418,69 1.203,70 18.683,71 6.141,72 29.171,73 8.617,74 0.329,75 1.271,76 22.454,77 7.92,78 32.042,79 11.38,80 0.5,81 1.263,82 27.134,83 8.32,84 48.425,85 12.438,86 0.498,87 1.104,88 25.88,89 7.637,90 42.893,91 11.537,92 0.375,93 0.936,94 21.509,95 6.643,96 29.922,97 10.006,98 0.329,99 0.878,100 19.03,101 5.669,102 34.928,103 8.727,104 30,105 38,106 0.283,107 0.626,108 0.764,109 0.832,110 0.839,111 0.847,112 3.267,113 0.848,114 -2.85,115 -2.85,116 -2.76,119 37.8,124 3,125 1,139 5,141 3,143 3,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 6,172 3,173 3,178 1,181 4,182 7,184 1,185 1,189 1,192 1,193 3,195 1,196 1,197 1,198 2,200 2,204 2,205 1,206 1,207 3,209 1,210 1,212 2,215 2,218 2,220 2,221 1,223 1,224 1,229 3,233 1,234 1,241 1,245 1,246 6,248 1,249 1,251 2,256 2,260 3,265 1,270 1,273 849,274 16.773,275 16.773,276 16.773,277 16.773,278 16.773,279 14.737,280 23.784,281 9.643,282 17.45,283 13.175,284 13.175,285 13.175,286 13.175,287 13.175,288 9.973,289 32.874,290 4.393,291 14.101,292 3.854,293 1.867,294 1.064,295 0.673,296 0.628,297 0.584,298 3.946,300 1,301 1,302 1,303 571,304 3.162,307 218.738,311 115.007,314 1.584,315 21.647,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 55,327 270,328 4.542,329 3.259,330 6.503,331 4.037,332 3.085,333 4.491,334 0.916,335 10.18,336 2.938,337 4.3,338 3.137,339 6.243,340 3.908,341 2.96,342 3.933,343 0.86,344 9.368,345 2.802,346 3.86,347 2.966,348 5.917,349 3.549,350 2.619,351 3.261,352 0.86,353 8.237,354 2.433,355 3.663,356 2.488,357 5.29,358 3.245,359 2.306,360 3.005,361 0.172,362 6.769,363 2.165,364 3.427,365 2.19,366 5.062,367 2.963,368 2.031,369 2.811,371 5.803,372 1.884,373 3.356,374 2.162,375 4.972,376 2.894,377 1.947,378 2.678,380 5.755,381 1.839,382 2.919,383 2.033,384 4.393,385 2.522,386 1.611,387 2.057,389 4.169,390 1.461,391 2.539,392 1.508,393 4.057,394 2.233,395 1.29,396 1.547,398 3.37,399 1.211,400 2.444,401 1.058,402 3.708,403 1.952,404 1.006,405 1.422,407 2.565,408 0.949,409 1.859,410 1.007,411 3.053,412 1.548,413 0.654,414 0.767,415 1.189,416 0.579,417 1.503,418 0.932,419 2.884,420 1.194,421 0.34,422 0.371,423 0.495,424 0.287,425 1.434,426 0.397,427 2.673,428 1.093,429 0.162,430 0.203,431 0.365,432 0.151,433 0.987,434 -0.008,435 2.538,436 0.552,437 -0.375,438 -0.46,439 -0.833,440 -0.345,441 0.832,442 -0.201,443 2.474,444 0.448,445 -0.468,446 -0.584,448 -1.086,449 -0.426,450 0.692,451 -0.307,452 2.302,453 0.361,454 -0.554,455 -0.641,457 -1.296,458 -0.501,459 11.567,460 0.463,461 0.66,462 0.026,463 35.75,464 1.43,465 18.5,466 0.74,467 17.25,468 0.69,469 17.294,470 0.692,471 27.433,472 0.61,473 26.722,474 1.069,475 7.385,476 0.295,477 4.627,478 0.185,479 0.199,481 0.38,485 1.037,486 1.495,487 0.802,488 1.181,489 1.204,490 0.97,491 1.255,492 0.916,493 0.763,494 0.728,495 0.737,496 0.674,497 0.986,498 1.1,499 0.99,500 1.048,501 0.86,502 1.015,503 0.829,504 1.289,505 1.048,506 1.323,507 0.738,508 1.25,509 1.032,510 1.058,511 1.154,512 1.123,513 1.101,514 1.164,515 0.98,516 0.784,517 1.084,518 0.946,519 0.998,520 1.022,521 0.909,522 0.938,523 0.9,524 0.932,525 0.678,526 0.927,527 0.819,528 0.979,529 0.971,530 1.029,531 0.99,532 1.022,533 6,534 0.169,535 3.111,536 1.875,537 1.991,538 0.736,539 0.506,540 0.358,541 0.221,542 0.192,543 6979,544 20369,545 2.015,546 44.4,548 16,551 4,555 1.678,556 1.852,557 3.4,558 1.815,559 1,560 1,564 73.698,565 1.638,566 3.625,567 4.428,568 4.819,569 4.864,570 4.908,571 2.869,572 4.404,573 4.617,574 3.527,575 1058.13,576 7.972,577 12850.3,579 1,581 1,582 247.133,583 1.516,584 4.555,585 0.222,586 0.011,587 0.082,588 0.046,589 0.055,590 0.025,591 0.021,592 0.015,593 0.01,594 0.01,595 0.497,596 0.17,597 1,598 0.942,599 121.034,600 -0.129,601 -0.244,602 0.04,603 -0.103,604 -0.25,605 -0.006,606 -0.07,607 0.18,608 0.189,609 0.27,610 0.152,611 0.269,612 0.033,613 0.086,614 -0.094,615 -0.037,616 0.013,617 -0.079,618 0.012,619 -0.227,620 -0.14,621 -0.274,622 0.067,623 -0.248,624 -0.103,625 -0.099,626 -0.185,627 -0.129,628 -0.164,629 -0.171,630 -0.075,631 0.132,632 -0.087,633 0.021,634 -0.141,635 -0.028,636 -0.004,637 -0.043,638 0.093,639 0.076,640 0.086,641 0.096,642 0.026,643 -0.023,644 0.005,645 -0.052,646 -0.001,647 -0.027,648 1.526,649 1.9,650 0.64,651 21.072,652 1.01,653 1.14,654 1.615,655 2.609,656 0.651,657 3.332,658 3.664,659 3.932,660 4.174,661 4.394,662 4.419,663 4.477,664 4.489,665 4.605,666 4.564,667 6.24,668 0.628,669 340.43,670 3.332,671 4.875,672 5.727,673 6.608,674 7.475,675 8.357,676 9.229,677 10.111,678 10.985,679 11.867,680 13.3,684 2,686 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,714 1,716 2,718 45,719 17,720 1,721 27,723 47,724 17,725 13,726 3,727 3,729 3,730 4,741 13,742 4,753 1,754 1,757 20,758 8,759 4,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 3,810 25,811 2,816 1,818 2,821 1,829 4.4,834 2,836 13.5,837 8.967,838 5.611,839 2.268,840 3.31,841 1.463,842 0.977,843 4.992,844 10.455,845 3.597,846 4.248,847 4.866,848 5.463,849 6.048,850 6.293,851 6.604,852 6.904,853 7.314,854 7.366,855 1,856 41,857 9.134,859 3.744,860 7.773,861 17.178,863 13.386,865 2.273,866 56.833,869 1,870 188.338,871 104.165,872 119.275,874 22,877 104.165,878 210.337,879 119.275,880 30.162,881 2.106,882 113.176,883 50.357,884 45.413,885 4.227,886 188.338,888 188.338,889 223.44,890 22,893 188.338,894 22,897 11.05,898 162.034,899 50.357,901 188.338,902 141.275,903 104.165,906 188.338,907 26.621,908 80.668,910 138.151,911 188.338,912 141.275,913 104.165,915 0.582,916 0.353,917 0.191,918 0.102,919 18,920 9,921 0.106,922 5,923 1,924 1.125,925 3.629,926 203.368,927 0.125,928 16,929 116.096,933 17.359,934 7.19,935 3.636,936 1.176,937 141.275,938 9.478,939 12.651,943 3.587,945 65.794,946 433.778,947 35.5,956 45.451,957 51.315,958 0.298,959 0.66,960 0.806,961 0.878,962 0.886,963 0.894,964 4.83,965 1.29,966 5.727,967 4.169,968 4.344,969 4.934,970 1.698,971 6.544,972 4.219,973 6.06,974 1.006,975 7.296,976 3.37,977 4.007,978 4.856,979 0.325,980 7.445,981 3.824,982 7.383,983 0.654,984 8.96,985 2.565,986 5.953,987 7.213,988 1.422,989 10.513,990 5.721,991 8.742,992 0.34,993 10.675,994 1.189,995 6.382,996 7.913,997 0.393,998 12.182,999 6.085,1000 10.128,1001 0.162,1002 12.423,1003 0.495,1004 7.824,1005 9.778,1006 1.2,1007 14.772,1008 7.49,1009 11.534,1010 -0.375,1011 14.193,1012 0.365,1013 8.608,1014 10.86,1015 0.384,1016 16.777,1017 8.21,1018 12.956,1019 -0.468,1020 15.978,1021 -0.833,1022 9.848,1023 12.515,1024 1.01,1025 19.189,1026 9.413,1027 3.085,1028 -0.554,1029 17.776,1030 -1.086,1031 10.801,1032 13.797,1033 0.351,1034 21.349,1035 10.306,1036 2.96,1037 10.18,1038 19.583,1039 -1.296,1040 11.957,1041 15.356,1042 0.845,1043 23.689,1044 11.423,1045 2.619,1046 9.368,1047 21.398,1048 4.491,1049 12.991,1050 16.742,1051 0.312,1052 25.921,1053 12.401,1054 2.306,1055 8.237,1056 23.22,1057 3.933,1058 14.114,1059 18.26,1060 0.702,1061 28.234,1062 13.482,1063 2.031,1064 6.769,1065 25.047,1066 3.261,1067 15.186,1068 19.698,1069 0.273,1070 30.501,1071 14.501,1072 1.947,1073 5.803,1074 26.878,1075 3.005,1076 16.298,1077 21.198,1078 0.579,1079 32.805,1080 15.567,1081 1.611,1082 5.755,1083 28.713,1084 2.811,1085 17.389,1086 22.664,1087 0.236,1088 35.09,1089 16.607,1090 6874,1091 11868,1092 17.512,1093 29.273,1094 40.138,1095 40.839,1096 42.242,1097 39.965,1098 40.024,1099 53.09,1100 5.618,1101 116.53,1102 37.398,1103 5.372,1104 5.259,1105 6.056,1106 5.11,1107 5.085,1108 7.491,1109 1.776,1110 17.075,1111 4.938,1112 14.355,1113 1.487,1114 1.513,1115 1.565,1116 1.48,1117 1.482,1118 1.966,1119 0.208,1120 4.316,1121 1.385,1122 4.058,1123 4.101,1124 4.032,1125 3.928,1126 5.323,1127 3.948,1128 3.923,1129 3.946,1130 3.88,1131 3.82,1132 4.989,1133 3.831,1134 3.561,1135 3.625,1136 3.484,1137 3.363,1138 4.935,1139 3.385,1140 3.351,1141 3.425,1142 3.24,1143 3.117,1144 4.773,1145 3.136,1146 3.247,1147 3.314,1148 3.051,1149 2.954,1150 4.496,1151 2.962,1152 3.169,1153 3.254,1154 3.01,1155 2.916,1156 4.384,1157 2.916,1158 3.114,1159 3.229,1160 2.955,1161 2.82,1162 4.202,1163 2.852,1164 2.915,1165 3.018,1166 2.719,1167 2.701,1168 3.95,1169 2.693,1170 0.168,1171 0.121,1172 0.241,1173 0.15,1174 0.114,1175 4.542,1176 0.166,1177 3.259,1178 0.034,1179 6.503,1180 0.377,1181 4.037,1182 0.109,1183 3.085,1184 4.491,1185 0.916,1186 10.18,1187 2.938,1188 1.974,1189 1.938,1190 2.04,1191 2.124,1192 1.166,1193 2.1,1194 1.876,1195 1.856,1196 1.962,1197 2.005,1198 1.052,1199 1.993,1200 1.492,1201 1.43,1202 1.692,1203 1.731,1204 0.805,1205 1.721,1206 1.287,1207 1.215,1208 1.576,1209 1.558,1210 0.574,1211 1.556,1212 1.192,1213 1.115,1214 1.55,1215 1.523,1216 0.571,1217 1.539,1218 1.151,1219 1.063,1220 1.51,1221 1.432,1222 0.539,1223 1.469,1224 1.008,1225 0.911,1226 1.291,1227 1.383,1228 0.31,1229 1.364,1230 0.92,1231 0.819,1232 1.267,1233 1.189,1234 0.164,1235 1.229,1236 4.007,1238 5.333,1240 6.862,1242 8.484,1244 10.155,1246 5.191,1250 11.51,1252 0.579,1254 10.616,1257 2.046,1262 28.246,1263 73.698,1264 163.105,1265 199.259,1266 216.869,1267 218.869,1268 220.869,1269 35.228,1270 7.145,1271 112.41,1272 112.41,1273 18,1274 12.403,1275 4.17,1276 3.248,1277 41.921,1278 95,1279 87,1280 0.22,1281 176.999,1282 295.34,1283 423.638,1284 11576,1286 17.974,1287 0.719,1288 0.574,1289 17.974,1290 14.354,1291 12.012,1292 0.445,1293 0.283,1294 7.452,1295 11.339,1296 7.18,1297 6.038,1298 12.012,1299 7.633,1300 10.78,1301 0.284,1302 0.146,1303 10.78,1304 5.533,1305 9.106,1306 0.182,1307 0.077,1308 9.106,1309 3.851,1310 7.621,1311 0.119,1312 0.04,1313 7.621,1314 2.58,1315 5.995,1316 0.075,1317 0.021,1318 5.995,1319 1.679,1320 0.346,1321 76.762,1322 0.239,1323 24.279,1324 0.599,1325 130,1326 410.676,1327 146.276,1328 394.158,1329 543.46,1330 370,1331 153,1332 406.697,1333 169.859,1334 415.026,1335 601.92,1336 385,1337 6.569}
{0 CHEMBL57637,1 1.662,2 10.75,3 1.771,4 3.138,5 106.554,6 7.649,7 0.548,8 4.044,9 4.166,10 3.63,11 3.478,12 5.208,13 3.502,14 4.567,15 4.746,16 3.995,17 3.862,18 5.67,19 3.874,20 4.703,21 4.854,22 4.156,23 4.067,24 5.801,25 4.062,26 4.884,27 5.06,28 4.176,29 4.162,30 5.992,31 4.113,32 5.042,33 5.267,34 4.015,35 4.142,36 6.015,37 4.066,38 4.958,39 5.2,40 3.784,41 3.998,42 5.89,43 3.898,44 4.816,45 5.088,46 3.631,47 3.85,48 5.643,49 3.734,50 4.681,51 4.958,52 3.56,53 3.72,54 5.583,55 3.602,56 0.108,57 0.774,58 10.259,59 3.946,60 12.477,61 5.26,62 0.496,63 1.17,64 20.557,65 6.68,66 35.035,67 8.826,68 0.466,69 1.426,70 21.515,71 7.686,72 22.499,73 10.575,74 0.556,75 1.603,76 26.681,77 10.23,78 40.628,79 13.984,80 0.763,81 1.639,82 35.336,83 10.343,84 59.897,85 14.989,86 0.806,87 1.432,88 33.621,89 9.495,90 59.58,91 13.654,92 0.548,93 1.192,94 30.25,95 9.198,96 42.436,97 13.686,98 0.501,99 1.052,100 26.397,101 8.219,102 42.736,103 12.439,104 35,105 45,106 0.28,107 0.625,108 0.754,109 0.777,110 0.786,111 0.814,112 3.375,113 0.851,114 -2.88,115 -2.88,116 -2.79,119 38,121 1,124 3,125 2,139 2,140 3,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 10,172 3,173 3,175 1,178 4,180 1,181 2,182 6,187 1,191 1,192 5,193 8,195 3,196 3,197 1,198 3,200 2,201 4,204 3,205 1,206 1,212 1,215 2,218 1,220 2,221 6,223 1,224 1,226 2,229 2,231 2,234 4,245 2,246 7,248 1,249 1,251 2,256 2,259 1,260 1,273 1082,274 19.143,275 19.143,276 19.143,277 19.143,278 19.143,279 17.087,280 28.523,281 10.869,282 19.988,283 15.101,284 15.101,285 15.101,286 15.101,287 15.101,288 11.723,289 41.008,290 4.857,291 16.192,292 3.982,293 1.928,294 1.161,295 1.026,296 0.971,297 0.805,298 4.071,300 1,301 1,302 1,303 649,304 2.915,307 257.696,311 195.863,314 1.714,315 27.234,318 1,319 0.83,320 1,321 0.8,322 0.5,323 1,324 1,325 0.88,326 62,327 301,328 4.673,329 3.438,330 6.891,331 4.227,332 3.253,333 4.625,334 0.916,335 11.527,336 3.172,337 4.443,338 3.349,339 6.555,340 4.039,341 3.094,342 4.12,343 0.86,344 10.388,345 2.917,346 3.996,347 3.018,348 6.126,349 3.673,350 2.737,351 3.455,352 0.86,353 8.979,354 2.561,355 3.74,356 2.626,357 5.797,358 3.373,359 2.431,360 3.055,361 0.86,362 7.862,363 2.285,364 3.458,365 2.555,366 5.19,367 2.978,368 2.061,369 2.866,370 0.172,371 6.118,372 1.907,373 3.374,374 2.19,375 5.102,376 2.972,377 2.043,378 2.696,380 5.935,381 1.867,382 3.355,383 2.063,384 5.01,385 2.903,386 1.976,387 2.604,389 5.799,390 1.824,391 2.799,392 1.993,393 4.489,394 2.502,395 1.538,396 1.88,398 4.226,399 1.48,400 2.667,401 1.814,402 4.373,403 2.371,404 1.437,405 1.695,407 4.095,408 1.337,409 2.14,410 1.533,411 3.702,412 1.911,413 1.072,414 1.123,415 2.217,416 0.893,417 1.989,418 0.983,419 3.45,420 1.713,421 0.768,422 0.909,423 1.887,424 0.723,425 1.576,426 0.916,427 2.904,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.422,434 0.899,435 2.859,436 1.159,437 0.318,438 0.34,439 0.414,440 0.265,441 1.36,442 0.247,443 2.705,444 0.984,445 0.055,446 0.069,448 0.137,449 0.051,450 1.028,451 0.098,452 2.658,453 0.593,454 -0.35,455 -0.418,457 -0.735,458 -0.326,459 12.9,460 0.461,461 0.708,462 0.025,463 38.75,464 1.384,465 19,466 0.679,467 19.75,468 0.705,469 22.444,470 0.802,471 30.9,472 0.618,473 29.969,474 1.07,475 7.846,476 0.28,477 5.704,478 0.204,479 0.178,481 0.419,485 1.005,486 1.48,487 0.776,488 1.198,489 1.106,490 0.967,491 1.262,492 0.782,493 0.772,494 0.668,495 0.782,496 0.637,497 0.871,498 1.286,499 0.88,500 1.092,501 0.773,502 0.993,503 0.63,504 1.222,505 0.977,506 1.353,507 0.613,508 1.266,509 1.279,510 1.097,511 1.211,512 1.086,513 1.268,514 1.131,515 1.36,516 0.848,517 1.312,518 1.006,519 1.318,520 1.129,521 0.958,522 0.871,523 0.926,524 0.928,525 0.806,526 0.929,527 0.66,528 0.874,529 0.783,530 0.937,531 0.676,532 0.903,533 6,534 0.206,535 3.556,536 2.563,537 2.627,538 1.042,539 0.664,540 0.436,541 0.282,542 0.294,543 9171,544 26535,545 2.072,546 44,548 15,550 1,551 4,553 2,555 1.711,556 1.909,557 3.369,558 1.733,559 1,560 1,564 83.11,565 1.662,566 3.716,567 4.483,568 4.618,569 4.673,570 4.839,571 2.914,572 4.379,573 4.78,574 3.519,575 1330.33,576 8.314,577 16952.2,579 1,581 1,582 282.193,583 1.497,584 4.723,585 0.194,586 0.01,587 0.079,588 0.049,589 0.053,590 0.025,591 0.021,592 0.016,593 0.011,594 0.013,595 0.47,596 0.17,597 1,598 0.961,599 138.934,600 -0.12,601 -0.229,602 0.053,603 -0.107,604 -0.17,606 -0.1,607 0.31,608 0.175,609 0.344,610 0.118,611 0.312,612 0.041,613 -0.106,614 -0.013,615 -0.028,616 0.006,617 -0.022,618 0.208,619 -0.113,620 -0.092,621 -0.289,622 0.199,623 -0.269,624 -0.22,625 -0.12,626 -0.229,627 -0.109,628 -0.268,629 -0.164,630 -0.252,631 0.098,632 -0.303,633 -0.058,634 -0.332,635 -0.172,636 -0.06,637 -0.018,638 0.091,639 0.07,640 0.006,641 0.107,642 0.152,643 -0.021,644 0.229,645 0.066,646 0.201,647 0.145,648 1.535,649 2.103,650 0.714,651 24.878,652 1.013,653 1.139,654 1.647,655 2.713,656 0.65,657 3.466,658 3.829,659 4.174,660 4.5,661 4.771,662 4.89,663 5.063,664 5.215,665 5.403,666 5.513,667 6.241,668 0.63,669 382.47,670 3.466,671 5.03,672 5.916,673 6.828,674 7.729,675 8.644,676 9.55,677 10.466,678 11.374,679 12.29,680 12,684 2,686 1,690 3,694 2,695 3,696 3,700 8,702 17,711 2,714 1,716 3,718 50,719 17,720 1,721 31,723 53,724 19,725 13,726 4,727 2,729 4,730 7,736 1,739 1,741 13,742 6,753 1,754 1,757 22,758 9,759 4,760 9,764 6,769 0.5,770 3,775 1,776 1,781 4,785 2,802 2,806 3,810 28,811 2,816 3,818 3,821 1,829 6,834 3,836 14.667,837 9.967,838 6.278,839 2.65,840 3.485,841 1.436,842 0.994,843 5.037,844 11.474,845 3.701,846 4.369,847 5.03,848 5.666,849 6.252,850 6.583,851 6.956,852 7.335,853 7.775,854 8.042,855 1,856 52,857 10.275,859 4.327,860 7.738,861 19.481,863 15.768,865 2.238,866 62.667,870 211.88,871 100.768,872 119.275,874 33,877 100.768,878 244.879,879 119.275,880 32.649,881 6.746,882 84.747,883 62.128,884 74.318,885 4.227,886 200.109,888 211.88,889 220.044,890 33,893 190.053,894 56.542,897 17.692,898 150.279,899 50.357,901 211.88,902 152.275,903 100.768,906 211.88,907 40.119,908 63.773,910 149.151,911 211.88,912 152.275,913 100.768,915 0.583,916 0.369,917 0.216,918 0.118,919 23,920 11,921 0.075,922 4,923 2,924 1.2,925 3.797,926 256.847,927 0.2,928 20,929 126.606,933 18.838,934 7.487,935 3.283,936 1.321,937 152.275,938 5.714,939 12.729,943 5.474,945 65.794,946 464.923,947 39.5,956 50.662,957 56.94,958 0.295,959 0.658,960 0.794,961 0.818,962 0.828,963 0.857,964 4.965,965 1.538,966 5.927,967 5.799,968 4.511,969 5.056,970 1.938,971 6.806,972 4.388,973 6.199,974 1.437,975 7.529,976 4.226,977 4.205,978 5.047,979 0.325,980 7.828,981 4.048,982 7.541,983 1.072,984 9.228,985 4.095,986 6.172,987 7.362,988 1.656,989 10.955,990 5.959,991 8.919,992 0.768,993 10.982,994 2.217,995 6.661,996 8.149,997 0.393,998 12.778,999 6.417,1000 10.327,1001 0.396,1002 12.772,1003 1.887,1004 8.116,1005 9.977,1006 1.418,1007 15.435,1008 7.833,1009 11.757,1010 0.318,1011 14.586,1012 0.603,1013 8.971,1014 11.14,1015 0.384,1016 17.598,1017 8.657,1018 13.204,1019 0.055,1020 16.418,1021 0.414,1022 10.232,1023 12.777,1024 1.207,1025 20.095,1026 9.886,1027 3.253,1028 -0.35,1029 18.264,1030 0.137,1031 11.254,1032 14.123,1033 0.351,1034 22.403,1035 10.879,1036 3.094,1037 11.527,1038 20.121,1039 -0.735,1040 12.443,1041 15.683,1042 1.019,1043 24.845,1044 12.039,1045 2.737,1046 10.388,1047 21.987,1048 4.625,1049 13.539,1050 17.118,1051 0.312,1052 27.216,1053 13.107,1054 2.431,1055 8.979,1056 23.861,1057 4.12,1058 14.704,1059 18.648,1060 0.852,1061 29.642,1062 14.245,1063 2.061,1064 7.862,1065 25.741,1066 3.455,1067 15.834,1068 20.125,1069 0.273,1070 32.043,1071 15.348,1072 2.043,1073 6.118,1074 27.625,1075 3.055,1076 16.992,1077 21.646,1078 0.706,1079 34.466,1080 16.48,1081 1.976,1082 5.935,1083 29.515,1084 2.866,1085 18.138,1086 23.144,1087 0.236,1088 36.882,1089 17.6,1090 8855,1091 15175,1092 20.403,1093 32.489,1094 46.303,1095 47.61,1096 49.499,1097 46.225,1098 46.359,1099 59.779,1100 7.338,1101 140.374,1102 43.253,1103 5.618,1104 5.438,1105 6.433,1106 5.302,1107 5.253,1108 7.625,1109 1.776,1110 18.812,1111 5.172,1112 15.527,1113 1.494,1114 1.536,1115 1.597,1116 1.491,1117 1.495,1118 1.928,1119 0.237,1120 4.528,1121 1.395,1122 4.103,1123 4.141,1124 4.074,1125 3.992,1126 5.321,1127 4.007,1128 3.926,1129 3.942,1130 3.896,1131 3.815,1132 4.983,1133 3.831,1134 3.633,1135 3.693,1136 3.562,1137 3.438,1138 4.974,1139 3.462,1140 3.312,1141 3.384,1142 3.221,1143 3.1,1144 4.804,1145 3.113,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.23,1153 3.303,1154 3.071,1155 2.987,1156 4.467,1157 2.997,1158 3.184,1159 3.267,1160 2.985,1161 2.895,1162 4.325,1163 2.896,1164 3.093,1165 3.207,1166 2.917,1167 2.819,1168 4.141,1169 2.832,1170 0.151,1171 0.111,1172 0.222,1173 0.136,1174 0.105,1175 4.673,1176 0.149,1177 3.438,1178 0.03,1179 6.891,1180 0.372,1181 4.227,1182 0.102,1183 3.253,1184 4.625,1185 0.916,1186 11.527,1187 3.172,1188 2.029,1189 1.998,1190 2.103,1191 2.16,1192 1.365,1193 2.143,1194 1.862,1195 1.85,1196 1.928,1197 2.001,1198 1.063,1199 1.978,1200 1.559,1201 1.501,1202 1.71,1203 1.789,1204 0.838,1205 1.772,1206 1.251,1207 1.183,1208 1.59,1209 1.558,1210 0.713,1211 1.565,1212 1.227,1213 1.163,1214 1.571,1215 1.519,1216 0.584,1217 1.532,1218 1.19,1219 1.117,1220 1.53,1221 1.492,1222 0.572,1223 1.496,1224 1.154,1225 1.066,1226 1.489,1227 1.431,1228 0.556,1229 1.462,1230 1.015,1231 0.919,1232 1.29,1233 1.372,1234 0.268,1235 1.361,1236 4.143,1238 5.493,1240 7.062,1242 8.735,1244 10.462,1246 4.807,1250 11.796,1252 2.234,1254 16.362,1257 2.231,1262 31.487,1263 83.11,1264 185.815,1265 224.154,1266 230.909,1267 233.663,1268 241.928,1269 40.302,1270 7.989,1271 121.64,1272 121.64,1273 24,1274 12.803,1275 4.17,1276 3.248,1277 42.447,1278 107,1279 100,1280 0.202,1281 192.787,1282 326.37,1283 462.159,1284 31424,1286 19.836,1287 0.708,1288 0.572,1289 19.836,1290 16.022,1291 13.55,1292 0.437,1293 0.284,1294 8.578,1295 12.731,1296 8.307,1297 6.909,1298 13.55,1299 8.797,1300 12.106,1301 0.269,1302 0.144,1303 12.106,1304 6.483,1305 10.774,1306 0.168,1307 0.078,1308 10.774,1309 4.975,1310 9.726,1311 0.109,1312 0.041,1313 9.726,1314 3.667,1315 8.01,1316 0.068,1317 0.022,1318 8.01,1319 2.621,1320 0.313,1321 87.066,1322 0.221,1323 26.318,1324 0.566,1325 152,1326 480.412,1327 171.21,1328 453.825,1329 629.2,1330 428,1331 185,1332 471.242,1333 205.181,1334 478.889,1335 704.17,1336 445,1337 5.569}
{0 CHEMBL57682,1 1.74,2 10.724,3 1.336,4 1.786,5 109.616,6 8.392,7 0.375,8 4,9 4.108,10 3.657,11 3.445,12 5.264,13 3.491,14 4.483,15 4.632,16 4.034,17 3.812,18 5.745,19 3.856,20 4.597,21 4.713,22 4.2,23 3.999,24 5.87,25 4.037,26 4.765,27 4.902,28 4.24,29 4.073,30 6.099,31 4.077,32 4.904,33 5.091,34 4.08,35 4.042,36 6.08,37 4.025,38 4.812,39 5.019,40 3.899,41 3.908,42 6.044,43 3.862,44 4.702,45 4.944,46 3.681,47 3.764,48 5.76,49 3.698,50 4.496,51 4.723,52 3.664,53 3.616,54 5.673,55 3.56,56 0.178,57 0.738,58 7.898,59 3.579,60 14.621,61 4.107,62 0.588,63 1.094,64 16.72,65 6.028,66 44.477,67 6.94,68 0.544,69 1.305,70 15.603,71 6.455,72 29.331,73 7.475,74 0.69,75 1.454,76 19.487,77 8.552,78 45.798,79 10.305,80 0.893,81 1.478,82 27.705,83 8.85,84 67.119,85 10.863,86 0.883,87 1.298,88 26.405,89 8.549,90 76.932,91 10.889,92 0.71,93 1.103,94 26.436,95 8.215,96 69.892,97 11.142,98 0.633,99 0.94,100 20.222,101 6.931,102 52.226,103 9.777,104 46,105 47,106 0.293,107 0.677,108 0.743,109 0.774,110 0.784,111 0.814,112 3.409,113 0.798,114 -2.74,115 -2.75,116 -2.67,119 40.4,124 3,134 1,135 2,136 2,139 2,140 1,141 4,144 2,147 1,153 1,157 2,158 2,159 2,166 3,169 3,170 11,172 3,173 3,175 1,178 4,180 1,181 2,182 7,187 1,191 1,192 7,193 10,195 3,196 3,197 1,198 3,200 2,201 4,204 3,205 1,206 1,212 1,215 2,218 1,220 3,221 8,223 3,224 3,226 2,229 2,231 2,234 4,245 4,246 7,248 1,249 1,251 2,256 2,259 2,260 1,273 1169,274 19.643,275 19.643,276 19.643,277 19.643,278 19.643,279 17.379,280 32.573,281 11.085,282 20.463,283 15.585,284 15.585,285 15.585,286 15.585,287 15.585,288 11.726,289 47.297,290 4.961,291 16.621,292 3.814,293 1.541,294 1.15,295 0.963,296 0.905,297 0.729,298 4.102,301 1,302 1,303 668,304 3,307 266.535,311 203.469,314 1.684,315 35.748,318 1,319 0.83,320 1,321 0.6,323 0.83,324 0.5,325 0.68,326 65,327 311,328 4.813,329 3.686,330 6.958,331 4.282,332 3.303,333 4.892,334 1.149,335 11.779,336 3.238,337 4.448,338 3.396,339 6.555,340 4.039,341 3.095,342 4.125,343 0.86,344 10.388,345 2.918,346 4.13,347 3.112,348 6.206,349 3.709,350 2.763,351 3.572,352 0.86,353 9.157,354 2.624,355 3.789,356 3.011,357 5.97,358 3.461,359 2.51,360 3.149,361 0.86,362 8.323,363 2.373,364 3.701,365 2.555,366 5.359,367 3.165,368 2.207,369 3.069,370 0.8,371 6.663,372 2.104,373 3.478,374 2.48,375 5.19,376 2.972,377 2.061,378 2.833,380 6.118,381 1.867,382 3.355,383 2.245,384 5.03,385 2.906,386 1.976,387 2.604,389 5.84,390 1.831,391 3.148,392 2.064,393 4.756,394 2.691,395 1.734,396 2.299,398 4.85,399 1.647,400 2.764,401 1.97,402 4.47,403 2.374,404 1.442,405 1.75,407 4.228,408 1.34,409 2.665,410 1.532,411 3.806,412 2.013,413 1.075,414 1.522,415 2.649,416 1.006,417 2.176,418 1.347,419 3.7,420 1.904,421 1.011,422 1.132,423 2.207,424 0.887,425 1.794,426 0.983,427 3.205,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.576,434 0.916,435 2.86,436 1.2,437 0.327,438 0.369,439 0.556,440 0.277,441 1.412,442 0.732,443 2.859,444 1.117,445 0.179,446 0.247,448 0.359,449 0.17,450 1.358,451 0.191,452 2.66,453 0.737,454 -0.207,455 -0.302,457 -0.575,458 -0.194,459 13.233,460 0.456,461 0.798,462 0.028,463 43,464 1.483,465 22.5,466 0.776,467 20.5,468 0.707,469 21.01,470 0.724,471 31.167,472 0.663,473 35.17,474 1.213,475 8.694,476 0.3,477 5.266,478 0.182,479 0.199,481 0.446,485 0.955,486 1.411,487 0.704,488 1.126,489 0.881,490 0.883,491 1.153,492 0.749,493 0.682,494 0.613,495 0.666,496 0.553,497 0.923,498 1.251,499 0.779,500 1.002,501 0.809,502 0.864,503 0.687,504 1.173,505 0.891,506 1.29,507 0.781,508 1.191,509 1.357,510 1.098,511 1.208,512 1.059,513 1.162,514 1.092,515 1.124,516 0.877,517 1.19,518 1.057,519 0.944,520 1.134,521 1.067,522 0.854,523 0.978,524 0.907,525 1.356,526 0.925,527 0.486,528 0.963,529 0.729,530 1.046,531 0.58,532 0.979,533 6.5,534 0.206,535 3.778,536 2.875,537 2.858,538 1.41,539 0.704,540 0.514,541 0.377,542 0.314,543 9756,544 31624,545 2.049,546 38.3,548 12,549 2,551 4,555 1.722,556 1.871,557 3.362,558 1.731,559 1,560 1,564 81.787,565 1.74,566 4.014,567 4.405,568 4.591,569 4.65,570 4.826,571 2.905,572 4.392,573 4.83,574 3.513,575 1426.14,576 8.425,577 18483.8,579 1,582 261.066,583 1.528,584 4.765,585 0.203,586 0.009,587 0.08,588 0.052,589 0.053,590 0.031,591 0.02,592 0.017,593 0.013,594 0.012,595 0.491,596 0.17,597 0.88,598 0.976,599 145.005,600 -0.151,601 -0.217,602 0.034,603 -0.1,604 -0.196,605 0.006,606 -0.081,607 0.323,608 0.209,609 0.382,610 0.087,611 0.362,612 -0.023,613 -0.089,614 -0.001,615 0.011,616 -0.055,617 0.025,618 0.215,619 -0.079,620 -0.059,621 -0.27,622 0.132,623 -0.262,624 -0.276,625 -0.124,626 -0.235,627 -0.084,628 -0.198,629 -0.137,630 -0.085,631 0.067,632 -0.184,633 -0.08,634 0.088,635 -0.149,636 -0.114,637 -0.003,638 0.099,639 0.109,640 -0.15,641 0.152,642 0.362,643 -0.075,644 0.304,645 -0.012,646 0.282,647 0.102,648 2.119,649 5.61,650 0.69,651 25.653,652 1.026,653 1.134,654 1.506,655 2.269,656 0.669,657 3.497,658 3.871,659 4.22,660 4.554,661 4.836,662 4.99,663 5.13,664 5.303,665 5.476,666 5.606,667 6.226,668 0.663,669 394.43,670 3.497,671 5.069,672 5.958,673 6.876,674 7.783,675 8.705,676 9.617,677 10.54,678 11.454,679 12.379,680 12.8,684 2,686 1,689 1,690 2,695 2,696 2,700 6,702 12,711 2,714 1,716 3,718 47,719 17,720 1,721 32,723 50,724 19,725 10,726 4,727 2,728 6,729 4,730 7,741 16,742 3,744 5,748 1,749 3,750 1,751 3,754 1,757 18,758 10,759 4,760 10,764 6,769 0.5,770 4,776 1,781 4,785 2,795 1,796 2,802 2,806 3,810 29,811 2,818 3,821 1,829 8.5,832 1,834 3,836 15.5,837 9.55,838 6.472,839 2.365,840 4.062,841 1.504,842 0.999,843 4.899,844 12.124,845 3.784,846 4.466,847 5.168,848 5.834,849 6.453,850 6.885,851 7.302,852 7.78,853 8.24,854 8.684,855 1,856 55,857 10.642,859 4.568,860 7.943,861 19.598,863 15.661,865 2.443,866 70.833,870 164.795,871 116.026,872 119.275,874 58.145,877 116.026,878 222.94,879 119.275,880 32.649,881 18.095,882 94.223,883 63.421,884 79.728,885 28.872,886 141.253,888 164.795,889 235.301,890 58.145,893 164.795,894 58.145,897 18.685,898 173.569,899 43.047,901 164.795,902 177.42,903 116.026,906 164.795,907 36.853,908 82.297,910 174.296,911 164.795,912 177.42,913 116.026,915 0.586,916 0.371,917 0.217,918 0.12,919 24,920 12,921 0.08,922 4,923 2,924 1.2,925 3.818,926 272.407,927 0.2,928 20,929 132.881,933 19.235,934 7.385,935 3.201,937 177.42,938 3.536,939 7.99,943 2.269,945 65.794,946 458.241,947 43,951 12.61,952 5.179,953 4.006,954 0.488,956 48.222,957 53.319,958 0.313,959 0.723,960 0.793,961 0.827,962 0.837,963 0.869,964 5.056,965 1.734,966 5.979,967 5.84,968 4.554,969 5.153,970 2.201,971 6.87,972 4.443,973 6.314,974 1.442,975 7.59,976 4.85,977 4.29,978 5.182,979 0.325,980 7.91,981 4.155,982 7.67,983 1.075,984 9.298,985 4.228,986 6.229,987 7.517,988 2.108,989 11.046,990 6.038,991 9.063,992 1.011,993 11.06,994 2.649,995 6.746,996 8.359,997 0.268,998 12.878,999 6.535,1000 10.486,1001 0.396,1002 12.856,1003 2.207,1004 8.188,1005 10.208,1006 2.116,1007 15.55,1008 7.937,1009 11.932,1010 0.327,1011 14.677,1012 0.603,1013 9.062,1014 11.439,1015 0.188,1016 17.723,1017 8.791,1018 13.396,1019 0.179,1020 16.514,1021 0.556,1022 10.321,1023 13.106,1024 2.201,1025 20.236,1026 10.019,1027 3.303,1028 -0.207,1029 18.365,1030 0.359,1031 11.357,1032 14.525,1033 0.125,1034 22.559,1035 11.035,1036 3.095,1037 11.779,1038 20.228,1039 -0.575,1040 12.55,1041 16.126,1042 2.347,1043 25.02,1044 12.202,1045 2.763,1046 10.388,1047 22.099,1048 4.892,1049 13.659,1050 17.631,1051 0.082,1052 27.41,1053 13.292,1054 2.51,1055 9.157,1056 23.978,1057 4.125,1058 14.832,1059 19.211,1060 2.536,1061 29.856,1062 14.442,1063 2.207,1064 8.323,1065 25.863,1066 3.572,1067 15.974,1068 20.756,1069 0.054,1070 32.277,1071 15.566,1072 2.061,1073 6.663,1074 27.753,1075 3.149,1076 17.143,1077 22.332,1078 2.756,1079 34.722,1080 16.715,1081 1.976,1082 6.118,1083 29.648,1084 3.069,1085 18.301,1086 23.896,1087 0.035,1088 37.159,1089 17.856,1090 9469,1091 17191,1092 20.808,1093 31.421,1094 48.9,1095 50.556,1096 51.91,1097 48.043,1098 48.157,1099 64.033,1100 9.058,1101 147.439,1102 45.245,1103 5.634,1104 5.686,1105 6.5,1106 5.357,1107 5.303,1108 7.963,1109 2.298,1110 19.321,1111 5.238,1112 17.205,1113 1.528,1114 1.58,1115 1.622,1116 1.501,1117 1.505,1118 2.001,1119 0.283,1120 4.607,1121 1.414,1122 4.139,1123 4.17,1124 4.126,1125 4.029,1126 7.431,1127 4.049,1128 3.929,1129 3.944,1130 3.9,1131 3.818,1132 5.329,1133 3.835,1134 3.625,1135 3.672,1136 3.582,1137 3.446,1138 4.988,1139 3.474,1140 3.329,1141 3.372,1142 3.287,1143 3.109,1144 4.975,1145 3.142,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.747,1151 3.026,1152 3.234,1153 3.301,1154 3.099,1155 2.98,1156 4.58,1157 2.998,1158 3.184,1159 3.265,1160 2.988,1161 2.893,1162 4.507,1163 2.895,1164 3.09,1165 3.198,1166 2.916,1167 2.821,1168 4.445,1169 2.839,1170 0.15,1171 0.115,1172 0.217,1173 0.134,1174 0.103,1175 4.813,1176 0.153,1177 3.686,1178 0.036,1179 6.958,1180 0.368,1181 4.282,1182 0.101,1183 3.303,1184 4.892,1185 1.149,1186 11.779,1187 3.238,1188 2.055,1189 2.032,1190 2.088,1191 2.184,1192 1.23,1193 2.156,1194 1.864,1195 1.852,1196 1.928,1197 2.001,1198 1.059,1199 1.977,1200 1.541,1201 1.496,1202 1.654,1203 1.753,1204 0.656,1205 1.727,1206 1.227,1207 1.18,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.216,1213 1.163,1214 1.57,1215 1.516,1216 0.571,1217 1.531,1218 1.181,1219 1.112,1220 1.518,1221 1.482,1222 0.547,1223 1.479,1224 1.147,1225 1.062,1226 1.34,1227 1.418,1228 0.351,1229 1.403,1230 1.005,1231 0.91,1232 1.273,1233 1.358,1234 0.09,1235 1.354,1236 4.174,1238 5.533,1240 7.109,1242 8.79,1244 10.525,1246 4.599,1250 11.618,1254 16.151,1257 1.746,1262 31.148,1263 81.787,1264 188.662,1265 207.027,1266 215.781,1267 218.536,1268 226.801,1269 49.801,1270 8.062,1271 140.4,1272 140.4,1273 24,1274 12.886,1275 4.17,1276 3.585,1277 44.65,1278 111,1279 102,1280 0.206,1281 190.928,1282 340.78,1283 457.625,1284 33888,1286 20.706,1287 0.714,1288 0.55,1289 20.706,1290 15.963,1291 13.96,1292 0.436,1293 0.266,1294 8.288,1295 13.08,1296 8.045,1297 6.711,1298 13.96,1299 8.516,1300 12.645,1301 0.269,1302 0.131,1303 12.645,1304 6.146,1305 11.185,1306 0.167,1307 0.068,1308 11.185,1309 4.55,1310 10.126,1311 0.108,1312 0.034,1313 10.126,1314 3.241,1315 8.293,1316 0.066,1317 0.018,1318 8.293,1319 2.225,1320 0.317,1321 90.062,1322 0.219,1323 26.977,1324 0.584,1325 158,1326 550.147,1327 179.757,1328 518.775,1329 712.6,1330 486,1331 193,1332 531.935,1333 215.341,1334 538.619,1335 793.88,1336 501,1337 5.951}
{0 CHEMBL57807,1 1.626,2 10.615,3 1.394,4 1.944,5 102.14,6 7.295,7 0.429,8 3.995,9 4.126,10 3.526,11 3.444,12 5.139,13 3.446,14 4.524,15 4.704,16 3.877,17 3.832,18 5.656,19 3.805,20 4.739,21 4.923,22 3.931,23 4.003,24 5.771,25 3.948,26 4.882,27 5.117,28 3.867,29 4.028,30 5.866,31 3.937,32 4.851,33 5.084,34 3.801,35 3.999,36 5.792,37 3.901,38 4.825,39 5.066,40 3.743,41 3.938,42 5.809,43 3.832,44 4.813,45 5.091,46 3.732,47 3.83,48 5.759,49 3.723,50 4.6,51 4.837,52 3.614,53 3.674,54 5.658,55 3.604,56 0.088,57 0.733,58 10.651,59 4.03,60 13.185,61 5.598,62 0.426,63 1.105,64 20.078,65 7.151,66 41.952,67 9.809,68 0.389,69 1.335,70 24.847,71 8.454,72 41.256,73 12.082,74 0.552,75 1.403,76 30.427,77 9.578,78 59.521,79 14.113,80 0.454,81 1.338,82 29.503,83 9.627,84 50.071,85 14.069,86 0.449,87 1.285,88 28.857,89 9.152,90 56.374,91 13.696,92 0.619,93 1.17,94 30.082,95 8.925,96 55.073,97 13.901,98 0.42,99 1.034,100 23.177,101 6.6,102 43.848,103 9.991,104 32,105 39,106 0.278,107 0.653,108 0.863,109 0.884,110 0.884,111 0.884,112 3.304,113 0.9,114 -3.46,115 -3.44,116 -3.29,119 36.7,120 1,121 2,122 1,124 1,125 2,139 2,140 3,141 2,142 1,144 1,147 1,153 1,157 2,158 2,159 2,166 7,169 2,170 6,172 3,173 3,175 3,178 7,180 1,182 5,185 1,187 4,189 6,191 1,193 7,195 1,196 2,197 1,198 3,200 2,201 5,204 2,205 1,207 8,212 4,215 4,218 3,221 4,224 1,226 4,229 2,231 2,233 3,234 5,236 1,237 1,239 3,241 1,243 3,246 4,249 2,250 1,251 2,253 1,254 1,256 2,259 1,260 3,262 1,263 1,265 1,268 2,270 1,273 992,274 17.265,275 17.265,276 17.265,277 17.265,278 17.265,279 15.504,280 28.046,281 10.121,282 17.765,283 13.77,284 13.77,285 13.77,286 13.77,287 13.77,288 11.027,289 40.955,290 4.777,291 14.462,292 3.989,293 1.79,294 0.561,295 0.439,296 0.439,297 0.439,298 3.984,300 1,301 1,302 1,303 578,304 3.317,307 219.569,311 115.527,314 1.692,315 28.519,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 57.5,327 276,328 4.446,329 3.63,330 6.548,331 4.084,332 3.109,333 4.12,334 2.443,335 10.392,336 3.033,337 4.231,338 3.331,339 6.088,340 3.822,341 2.863,342 3.876,343 0.86,344 8.847,345 2.753,346 3.653,347 3.07,348 5.451,349 3.453,350 2.485,351 2.947,352 0.68,353 7.219,354 2.403,355 3.575,356 2.655,357 5.281,358 3.224,359 2.268,360 2.757,361 0.4,362 6.705,363 2.163,364 3.453,365 2.519,366 5.038,367 3.121,368 2.149,369 2.671,370 0.286,371 5.815,372 2.066,373 3.362,374 2.223,375 4.922,376 2.946,377 2.005,378 2.641,380 5.649,381 1.877,382 3.115,383 2.136,384 4.599,385 2.843,386 1.867,387 2.192,389 4.993,390 1.811,391 2.823,392 1.707,393 4.154,394 2.357,395 1.424,396 1.951,398 3.691,399 1.325,400 2.262,401 1.53,402 3.91,403 2.117,404 1.201,405 1.251,407 3.017,408 1.094,409 1.739,410 1.447,411 3.088,412 1.523,413 0.615,414 0.654,415 1.354,416 0.549,417 1.613,418 0.902,419 3.023,420 1.323,421 0.406,422 0.468,423 0.895,424 0.366,425 1.533,426 0.619,427 2.897,428 1.258,429 0.341,430 0.395,431 0.624,432 0.313,433 1.012,434 0.425,435 2.5,436 0.711,437 -0.241,438 -0.283,439 -0.596,440 -0.228,441 0.852,442 0.034,443 2.36,444 0.569,445 -0.397,446 -0.456,448 -1.076,449 -0.383,450 0.797,451 -0.094,452 2.355,453 0.393,454 -0.514,455 -0.621,457 -1.242,458 -0.466,459 12,460 0.462,461 0.715,462 0.028,463 32.75,464 1.26,465 15.5,466 0.596,467 17.25,468 0.663,469 21.808,470 0.839,471 29.4,472 0.6,473 24.467,474 0.941,475 6.545,476 0.252,477 5.912,478 0.227,479 0.178,481 0.375,485 0.935,486 1.37,487 0.837,488 1.16,489 0.85,490 0.989,491 0.872,492 0.929,493 0.812,494 0.935,495 0.518,496 0.882,497 1.075,498 1.266,499 1.09,500 1.196,501 0.967,502 1.16,503 0.976,504 0.95,505 1.073,506 1.046,507 0.819,508 1.072,509 1.022,510 1.054,511 1.052,512 1.091,513 0.811,514 1.086,515 0.912,516 1.112,517 1.049,518 1.159,519 1.063,520 1.138,521 0.611,522 0.913,523 0.691,524 0.874,525 0.54,526 0.817,527 1.094,528 1.089,529 1.044,530 1.085,531 1.012,532 1.059,533 6.5,534 0.095,535 2.667,536 1.75,537 1.711,538 0.813,539 0.749,540 0.429,541 0.354,542 0.231,543 7504,544 22373,545 2.014,546 46.9,547 4,548 9,550 1,551 5,552 3,554 1,555 1.693,556 1.857,557 3.374,558 2.596,559 1,560 1,564 79.656,565 1.626,566 3.824,567 5.053,568 5.176,569 5.176,570 5.176,571 2.888,572 4.162,573 4.667,574 3.533,575 1148.27,576 8.102,577 14340.2,579 1,582 275.121,583 1.502,584 4.615,585 0.232,586 0.007,587 0.068,588 0.044,589 0.048,590 0.024,591 0.024,592 0.014,593 0.013,594 0.01,595 0.484,596 0.17,597 1,598 1.284,599 127.159,600 -0.117,601 -0.071,602 0.026,603 -0.014,604 -0.123,605 0.037,606 0.113,607 0.195,608 0.119,609 0.144,610 0.197,611 0.128,612 -0.136,613 -0.153,614 -0.169,615 -0.121,616 -0.136,617 -0.151,618 -0.075,619 0.068,620 -0.118,621 -0.038,622 -0.068,623 -0.079,624 -0.129,625 -0.07,626 -0.1,627 -0.055,628 -0.079,629 -0.07,630 -0.053,631 -0.133,632 -0.095,633 -0.141,634 -0.086,635 -0.128,636 0.257,637 -0.046,638 0.302,639 0.104,640 0.193,641 0.195,642 -0.074,643 -0.088,644 -0.06,645 -0.125,646 -0.09,647 -0.099,648 1.93,649 4.05,650 0.615,651 25.112,652 1.009,653 1.14,654 2.231,655 4.979,656 0.638,657 3.367,658 3.689,659 3.912,660 4.174,661 4.443,662 4.511,663 4.644,664 4.787,665 4.913,666 4.86,667 6.27,668 0.612,669 357.46,670 3.367,671 4.905,672 5.74,673 6.616,674 7.474,675 8.355,676 9.223,677 10.108,678 10.982,679 11.869,680 10.2,684 2,685 1,690 2,695 3,696 2,700 7,702 12,711 2,712 1,716 1,718 49,719 13,720 1,721 28,723 51,724 18,725 10,726 4,727 2,729 3,730 4,734 1,736 1,737 1,739 2,741 11,742 7,743 1,744 1,748 1,751 1,753 1,754 1,757 23,758 8,759 5,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,793 1,802 2,806 2,810 26,811 2,816 4,817 1,818 2,820 1,829 6.1,832 1,834 2,836 14,837 9.15,838 5.75,839 2.675,840 2.317,841 1.318,842 0.962,843 5.714,844 9.596,845 3.584,846 4.159,847 4.64,848 5.17,849 5.703,850 5.882,851 6.159,852 6.551,853 6.918,854 7.138,855 1,856 40,857 9.564,859 3.984,860 7.853,861 18.098,863 14.571,865 2.353,866 61.167,870 211.88,871 88.451,872 117.376,874 47.145,877 88.451,878 259.025,879 117.376,880 19.708,881 11.767,882 84.747,883 95.689,884 48.604,885 4.227,886 200.109,888 211.88,889 205.827,890 47.145,893 200.109,894 58.916,897 31.539,898 122.706,899 51.582,901 211.88,902 164.521,903 88.451,906 211.88,907 40.742,908 47.708,909 18.011,910 146.51,911 211.88,912 164.521,913 88.451,915 0.58,916 0.324,917 0.173,918 0.102,919 18,920 9,921 0.118,922 6,923 1,924 1.125,925 3.726,926 214.094,927 0.125,928 16,929 122.211,933 18.579,934 7.996,935 4.51,937 164.521,938 5.736,939 8.019,943 5.261,945 83.805,946 464.851,947 35,951 11.05,954 -0.263,956 49.443,957 55.857,958 0.29,959 0.681,960 0.9,961 0.922,962 0.922,963 0.922,964 4.828,965 1.424,966 5.733,967 4.993,968 4.369,969 4.844,970 2.622,971 6.524,972 4.282,973 6.029,974 1.201,975 7.281,976 3.691,977 4.007,978 4.732,979 2.243,980 7.368,981 3.916,982 7.335,983 0.615,984 8.922,985 3.017,986 5.948,987 6.987,988 3.874,989 10.435,990 5.796,991 8.668,992 0.406,993 10.616,994 1.354,995 6.33,996 7.617,997 4.269,998 12.073,999 6.169,1000 10.029,1001 0.341,1002 12.344,1003 0.895,1004 7.781,1005 9.416,1006 5.49,1007 14.676,1008 7.576,1009 11.409,1010 -0.241,1011 14.096,1012 0.624,1013 8.525,1014 10.406,1015 6.158,1016 16.682,1017 8.305,1018 12.805,1019 -0.397,1020 15.867,1021 -0.596,1022 9.774,1023 12.011,1024 7.209,1025 19.112,1026 9.52,1027 3.109,1028 -0.514,1029 17.654,1030 -1.076,1031 10.704,1032 13.19,1033 7.992,1034 21.292,1035 10.43,1036 2.863,1037 10.392,1038 19.453,1039 -1.242,1040 11.867,1041 14.699,1042 8.963,1043 23.656,1044 11.565,1045 2.485,1046 8.847,1047 21.263,1048 4.12,1049 12.89,1050 15.98,1051 9.802,1052 25.916,1053 12.566,1054 2.268,1055 7.219,1056 23.081,1057 3.876,1058 14.019,1059 17.439,1060 10.734,1061 28.256,1062 13.67,1063 2.149,1064 6.705,1065 24.908,1066 2.947,1067 15.09,1068 18.774,1069 11.599,1070 30.554,1071 14.717,1072 2.005,1073 5.815,1074 26.741,1075 2.757,1076 16.207,1077 20.206,1078 12.512,1079 32.887,1080 15.811,1081 1.867,1082 5.649,1083 28.58,1084 2.671,1085 17.301,1086 21.571,1087 13.391,1088 35.203,1089 16.881,1090 7461,1091 12969,1092 18.205,1093 31.245,1094 41.607,1095 42.955,1096 43.141,1097 41.342,1098 41.465,1099 51.848,1100 9.338,1101 118.401,1102 39.504,1103 5.392,1104 5.63,1105 6.071,1106 5.153,1107 5.109,1108 7.12,1109 4.174,1110 17.36,1111 5.033,1112 15.016,1113 1.486,1114 1.534,1115 1.541,1116 1.477,1117 1.481,1118 1.852,1119 0.333,1120 4.229,1121 1.411,1122 4.039,1123 4.071,1124 3.986,1125 3.956,1126 7.434,1127 3.959,1128 3.85,1129 3.905,1130 3.807,1131 3.691,1132 5.291,1133 3.711,1134 3.652,1135 3.682,1136 3.562,1137 3.483,1138 4.979,1139 3.491,1140 3.472,1141 3.513,1142 3.361,1143 3.245,1144 4.855,1145 3.267,1146 3.297,1147 3.358,1148 3.16,1149 3.048,1150 4.479,1151 3.067,1152 3.141,1153 3.235,1154 2.988,1155 2.918,1156 4.455,1157 2.92,1158 3.043,1159 3.153,1160 2.864,1161 2.771,1162 4.343,1163 2.77,1164 2.978,1165 3.089,1166 2.797,1167 2.725,1168 4.086,1169 2.731,1170 0.159,1171 0.13,1172 0.234,1173 0.146,1174 0.111,1175 4.446,1176 0.147,1177 3.63,1178 0.087,1179 6.548,1180 0.371,1181 4.084,1182 0.108,1183 3.109,1184 4.12,1185 2.443,1186 10.392,1187 3.033,1188 1.993,1189 1.968,1190 2.1,1191 2.101,1192 1.402,1193 2.102,1194 1.783,1195 1.737,1196 1.908,1197 1.973,1198 1.154,1199 1.951,1200 1.593,1201 1.554,1202 1.752,1203 1.797,1204 0.857,1205 1.784,1206 1.404,1207 1.359,1208 1.676,1209 1.657,1210 0.697,1211 1.66,1212 1.229,1213 1.164,1214 1.57,1215 1.531,1216 0.588,1217 1.543,1218 1.103,1219 1.024,1220 1.377,1221 1.393,1222 0.534,1223 1.395,1224 1,1225 0.9,1226 1.336,1227 1.324,1228 0.491,1229 1.333,1230 0.929,1231 0.836,1232 1.256,1233 1.254,1234 0.325,1235 1.273,1236 4.043,1238 5.361,1240 6.87,1242 8.474,1244 10.131,1246 3.067,1250 11.501,1252 2.5,1253 3.384,1254 10.694,1256 0.219,1262 29.993,1263 79.656,1264 187.398,1265 247.611,1266 253.611,1267 253.611,1268 253.611,1269 46.572,1270 7.279,1271 125.38,1272 125.38,1273 18,1274 12.403,1275 3.807,1276 3,1277 44.253,1278 98,1279 98,1280 0.226,1281 186.721,1282 323.97,1283 447.359,1284 13316,1286 18.681,1287 0.719,1288 0.574,1289 18.681,1290 14.912,1291 12.457,1292 0.445,1293 0.3,1294 8.238,1295 11.817,1296 7.986,1297 6.642,1298 12.457,1299 8.398,1300 11.471,1301 0.294,1302 0.164,1303 11.471,1304 6.401,1305 8.949,1306 0.183,1307 0.089,1308 8.949,1309 4.373,1310 7.403,1311 0.116,1312 0.049,1313 7.403,1314 3.134,1315 6.259,1316 0.075,1317 0.028,1318 6.259,1319 2.33,1320 0.352,1321 79.235,1322 0.234,1323 25.052,1324 0.627,1325 134,1326 421.454,1327 150.517,1328 400.206,1329 538.99,1330 374,1331 155,1332 389.298,1333 169.858,1334 393.954,1335 568.83,1336 367,1337 4.215}
{0 CHEMBL57812,1 1.626,2 10.538,3 1.81,4 3.276,5 102.29,6 7.295,7 0.429,8 3.995,9 4.126,10 3.526,11 3.444,12 5.138,13 3.446,14 4.524,15 4.704,16 3.877,17 3.832,18 5.645,19 3.805,20 4.738,21 4.927,22 3.972,23 3.996,24 5.791,25 3.953,26 4.857,27 5.064,28 3.926,29 4.011,30 5.986,31 3.947,32 4.839,33 5.057,34 3.808,35 3.993,36 5.845,37 3.904,38 4.839,39 5.096,40 3.732,41 3.943,42 5.751,43 3.829,44 4.811,45 5.091,46 3.767,47 3.829,48 5.796,49 3.725,50 4.589,51 4.814,52 3.619,53 3.668,54 5.697,55 3.606,56 0.088,57 0.733,58 10.651,59 4.03,60 13.168,61 5.598,62 0.426,63 1.105,64 20.078,65 7.151,66 42.512,67 9.809,68 0.368,69 1.326,70 24.931,71 8.385,72 36.808,73 12.036,74 0.631,75 1.366,76 29.447,77 9.114,78 73.036,79 12.966,80 0.491,81 1.324,82 28.997,83 9.372,84 58.442,85 13.447,86 0.386,87 1.299,88 29.416,89 9.291,90 45.073,91 14.174,92 0.666,93 1.17,94 30.018,95 8.949,96 59.532,97 14.047,98 0.445,99 1.026,100 22.84,101 6.43,102 50.225,103 9.576,104 32,105 39,106 0.278,107 0.653,108 0.863,109 0.884,110 0.884,111 0.884,112 3.304,113 0.909,114 -3.46,115 -3.44,116 -3.29,119 36.7,120 1,121 2,122 1,124 1,125 2,139 2,140 3,141 2,142 1,144 1,147 1,153 1,157 2,158 2,159 2,166 7,169 2,170 6,172 3,173 3,175 3,178 7,180 1,182 6,185 1,187 4,189 6,191 1,193 8,195 1,196 3,197 1,198 3,200 2,201 5,204 2,205 1,207 8,212 4,215 4,218 3,221 4,226 4,229 2,231 2,233 4,234 6,236 1,237 1,239 3,241 1,243 3,246 4,249 2,250 1,251 2,253 1,254 1,256 2,260 1,262 1,263 1,265 1,268 2,270 1,273 964,274 17.48,275 17.48,276 17.48,277 17.48,278 17.48,279 15.797,280 27.072,281 10.259,282 18.078,283 13.713,284 13.713,285 13.713,286 13.713,287 13.713,288 11.018,289 36.879,290 4.712,291 14.462,292 3.989,293 1.79,294 0.561,295 0.439,296 0.439,297 0.439,298 3.984,300 1,301 1,302 1,303 574,304 3.317,307 218.426,311 114.784,314 1.615,315 30.149,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 57.5,327 274,328 4.451,329 3.806,330 6.558,331 4.099,332 3.122,333 4.122,334 2.443,335 10.424,336 3.051,337 4.232,338 3.308,339 6.09,340 3.832,341 2.869,342 3.876,343 0.86,344 8.856,345 2.77,346 3.919,347 3.064,348 6.002,349 3.681,350 2.702,351 3.108,352 0.68,353 8.502,354 2.632,355 3.596,356 2.537,357 5.283,358 3.233,359 2.275,360 2.922,361 0.4,362 6.727,363 2.18,364 3.363,365 2.516,366 5.186,367 2.985,368 2.031,369 2.662,370 0.286,371 6.133,372 1.926,373 3.339,374 2.17,375 4.922,376 2.944,377 2.002,378 2.579,380 5.656,381 1.874,382 2.824,383 1.924,384 4.183,385 2.448,386 1.516,387 1.953,389 3.768,390 1.399,391 2.637,392 1.78,393 4.153,394 2.349,395 1.416,396 1.62,398 3.664,399 1.316,400 2.241,401 1.683,402 3.91,403 2.099,404 1.187,405 1.231,407 2.987,408 1.076,409 2.042,410 1.53,411 3.075,412 1.8,413 0.818,414 0.92,415 1.363,416 0.787,417 1.613,418 0.914,419 2.961,420 1.323,421 0.412,422 0.472,423 0.897,424 0.368,425 1.543,426 0.621,427 2.897,428 1.269,429 0.348,430 0.406,431 0.632,432 0.322,433 1.012,434 0.347,435 2.501,436 0.709,437 -0.245,438 -0.288,439 -0.601,440 -0.232,441 0.839,442 0.032,443 2.36,444 0.541,445 -0.428,446 -0.482,448 -0.845,449 -0.411,450 0.797,451 -0.091,452 2.355,453 0.393,454 -0.514,455 -0.621,457 -1.242,458 -0.466,459 12,460 0.462,461 0.66,462 0.025,463 32.75,464 1.26,465 15.5,466 0.596,467 17.25,468 0.663,469 21.831,470 0.84,471 29.4,472 0.6,473 24.863,474 0.956,475 6.492,476 0.25,477 6.019,478 0.232,479 0.178,481 0.375,485 0.935,486 1.37,487 0.837,488 1.16,489 0.852,490 0.989,491 0.872,492 0.929,493 0.812,494 0.935,495 0.556,496 0.882,497 1.035,498 1.234,499 0.979,500 1.144,501 0.923,502 1.067,503 1.257,504 0.98,505 1.163,506 1.07,507 1.429,508 1.101,509 1.214,510 1.079,511 1.152,512 1.118,513 1.145,514 1.134,515 0.789,516 1.075,517 0.962,518 1.112,519 0.735,520 1.072,521 0.444,522 0.913,523 0.617,524 0.873,525 0.433,526 0.796,527 1.262,528 1.112,529 1.131,530 1.109,531 1.319,532 1.1,533 6,534 0.087,535 3.111,536 2,537 1.671,538 0.819,539 0.791,540 0.46,541 0.308,542 0.255,543 7320,544 21221,545 2.014,546 46.9,547 4,548 9,550 1,551 5,552 1,553 3,555 1.694,556 1.857,557 3.361,558 2.596,559 1,560 1,564 79.656,565 1.626,566 3.824,567 5.053,568 5.176,569 5.176,570 5.176,571 2.855,572 4.239,573 4.669,574 3.488,575 1133.44,576 8.108,577 14027.2,579 1,581 1,582 275.121,583 1.502,584 4.615,585 0.214,586 0.006,587 0.08,588 0.048,589 0.044,590 0.024,591 0.026,592 0.014,593 0.011,594 0.012,595 0.479,596 0.17,597 1,598 1.284,599 126.596,600 -0.117,601 -0.071,602 0.026,603 -0.014,604 -0.125,605 0.037,606 0.113,607 0.195,608 0.119,609 0.144,610 0.158,611 0.128,612 -0.091,613 -0.132,614 -0.051,615 -0.075,616 -0.088,617 -0.058,618 -0.122,619 0.059,620 -0.19,621 -0.062,622 -0.137,623 -0.131,624 -0.201,625 -0.081,626 -0.193,627 -0.082,628 -0.145,629 -0.131,630 -0.038,631 -0.109,632 -0.014,633 -0.101,634 -0.026,635 -0.054,636 0.389,637 -0.047,638 0.374,639 0.106,640 0.294,641 0.22,642 -0.136,643 -0.098,644 -0.14,645 -0.15,646 -0.16,647 -0.153,648 1.855,649 5.077,650 0.615,651 23.787,652 1.009,653 1.14,654 2.231,655 4.979,656 0.638,657 3.367,658 3.689,659 3.951,660 4.205,661 4.454,662 4.543,663 4.7,664 4.804,665 4.92,666 4.883,667 6.107,668 0.612,669 357.46,670 3.367,671 4.905,672 5.753,673 6.632,674 7.499,675 8.385,676 9.261,677 10.149,678 11.03,679 11.919,680 10.2,684 2,685 1,690 2,695 3,696 2,700 7,702 12,711 2,712 1,716 1,718 49,719 13,720 1,721 28,723 51,724 18,725 10,726 4,727 2,729 3,730 4,734 1,736 1,737 1,739 2,741 11,742 7,743 1,744 1,748 1,751 1,753 1,754 1,757 23,758 8,759 5,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,793 1,802 2,806 2,810 26,811 2,816 4,817 1,818 2,820 1,829 6.1,832 1,834 2,836 14,837 9.15,838 5.861,839 2.842,840 2.317,841 1.318,842 0.962,843 5.714,844 9.596,845 3.584,846 4.159,847 4.677,848 5.193,849 5.716,850 5.92,851 6.225,852 6.59,853 6.973,854 7.185,855 1,856 42,857 9.591,859 4.023,860 7.853,861 18.098,863 14.564,865 2.353,866 61.167,870 211.88,871 88.451,872 117.376,874 47.145,877 88.451,878 259.025,879 117.376,880 19.708,881 11.767,882 84.747,883 95.689,884 48.604,885 4.227,886 200.109,888 211.88,889 205.827,890 47.145,893 176.567,894 82.458,897 31.539,898 122.706,899 51.582,901 211.88,902 164.521,903 88.451,906 211.88,907 40.742,908 47.708,909 18.011,910 146.51,911 211.88,912 164.521,913 88.451,915 0.576,916 0.342,917 0.185,918 0.102,919 18,920 9,921 0.118,922 6,923 1,924 1.125,925 3.688,926 216.461,927 0.125,928 16,929 122.211,933 18.579,934 7.996,935 4.148,937 164.521,938 5.627,939 7.999,943 4.943,945 83.805,946 464.851,947 35,951 12.077,954 -0.189,956 49.443,957 55.857,958 0.29,959 0.681,960 0.9,961 0.922,962 0.922,963 0.922,964 4.828,965 1.416,966 5.746,967 3.768,968 4.369,969 4.844,970 2.622,971 6.558,972 4.282,973 6.029,974 1.187,975 7.31,976 3.664,977 4.007,978 4.732,979 2.243,980 7.445,981 3.916,982 7.34,983 0.818,984 8.969,985 2.987,986 5.969,987 7.002,988 3.874,989 10.525,990 5.824,991 8.682,992 0.412,993 10.682,994 1.363,995 6.382,996 7.646,997 4.269,998 12.193,999 6.232,1000 10.053,1001 0.348,1002 12.428,1003 0.897,1004 7.835,1005 9.441,1006 5.49,1007 14.794,1008 7.647,1009 11.442,1010 -0.245,1011 14.197,1012 0.632,1013 8.611,1014 10.439,1015 6.158,1016 16.808,1017 8.41,1018 12.847,1019 -0.428,1020 15.983,1021 -0.601,1022 9.856,1023 12.037,1024 7.209,1025 19.231,1026 9.626,1027 3.122,1028 -0.514,1029 17.781,1030 -0.845,1031 10.807,1032 13.218,1033 7.992,1034 21.408,1035 10.558,1036 2.869,1037 10.424,1038 19.589,1039 -1.242,1040 11.967,1041 14.721,1042 8.963,1043 23.764,1044 11.693,1045 2.702,1046 8.856,1047 21.405,1048 4.122,1049 13.002,1050 16.001,1051 9.802,1052 26.018,1053 12.706,1054 2.275,1055 8.502,1056 23.228,1057 3.876,1058 14.129,1059 17.455,1060 10.734,1061 28.352,1062 13.81,1063 2.031,1064 6.727,1065 25.057,1066 3.108,1067 15.204,1068 18.789,1069 11.599,1070 30.644,1071 14.862,1072 2.002,1073 6.133,1074 26.891,1075 2.922,1076 16.321,1077 20.218,1078 12.512,1079 32.973,1080 15.956,1081 1.516,1082 5.656,1083 28.729,1084 2.662,1085 17.417,1086 21.582,1087 13.391,1088 35.285,1089 17.029,1090 7291,1091 12509,1092 18.205,1093 31.245,1094 41.6,1095 42.996,1096 43.585,1097 41.325,1098 41.397,1099 51.742,1100 9.338,1101 119.218,1102 39.407,1103 5.397,1104 5.806,1105 6.328,1106 5.169,1107 5.122,1108 7.122,1109 4.174,1110 17.405,1111 5.051,1112 14.835,1113 1.486,1114 1.536,1115 1.557,1116 1.476,1117 1.478,1118 1.848,1119 0.333,1120 4.258,1121 1.407,1122 4.04,1123 4.07,1124 3.989,1125 3.956,1126 7.432,1127 3.96,1128 3.851,1129 3.904,1130 3.809,1131 3.69,1132 5.291,1133 3.712,1134 3.655,1135 3.68,1136 3.582,1137 3.481,1138 4.979,1139 3.497,1140 3.45,1141 3.524,1142 3.275,1143 3.252,1144 4.852,1145 3.242,1146 3.297,1147 3.358,1148 3.159,1149 3.048,1150 4.476,1151 3.068,1152 3.148,1153 3.234,1154 3.001,1155 2.917,1156 4.457,1157 2.926,1158 3.058,1159 3.147,1160 2.918,1161 2.77,1162 4.372,1163 2.782,1164 2.979,1165 3.089,1166 2.799,1167 2.723,1168 4.104,1169 2.737,1170 0.159,1171 0.136,1172 0.234,1173 0.146,1174 0.112,1175 4.451,1176 0.147,1177 3.806,1178 0.087,1179 6.558,1180 0.372,1181 4.099,1182 0.109,1183 3.122,1184 4.122,1185 2.443,1186 10.424,1187 3.051,1188 1.992,1189 1.968,1190 2.092,1191 2.1,1192 1.368,1193 2.098,1194 1.781,1195 1.736,1196 1.895,1197 1.972,1198 1.126,1199 1.948,1200 1.584,1201 1.551,1202 1.803,1203 1.799,1204 0.937,1205 1.791,1206 1.446,1207 1.371,1208 1.703,1209 1.67,1210 0.818,1211 1.694,1212 1.229,1213 1.164,1214 1.569,1215 1.531,1216 0.588,1217 1.543,1218 1.091,1219 1.02,1220 1.345,1221 1.39,1222 0.528,1223 1.383,1224 0.994,1225 0.899,1226 1.32,1227 1.312,1228 0.372,1229 1.307,1230 0.909,1231 0.829,1232 1.221,1233 1.254,1234 0.129,1235 1.269,1236 4.043,1238 5.361,1240 6.882,1242 8.5,1244 10.169,1246 3.432,1250 11.488,1252 2.043,1253 3.29,1254 10.673,1256 -0.215,1262 29.993,1263 79.656,1264 187.398,1265 247.611,1266 253.611,1267 253.611,1268 253.611,1269 49.82,1270 7.279,1271 125.38,1272 125.38,1273 18,1274 12.45,1275 3.807,1276 3,1277 44.212,1278 96,1279 102,1280 0.232,1281 186.721,1282 323.97,1283 447.359,1284 13110,1286 18.681,1287 0.719,1288 0.574,1289 18.681,1290 14.912,1291 12.512,1292 0.447,1293 0.303,1294 8.326,1295 11.873,1296 8.099,1297 6.725,1298 12.512,1299 8.486,1300 11.16,1301 0.286,1302 0.159,1303 11.16,1304 6.182,1305 9.278,1306 0.182,1307 0.086,1308 9.278,1309 4.386,1310 7.719,1311 0.117,1312 0.048,1313 7.719,1314 3.141,1315 6.191,1316 0.073,1317 0.027,1318 6.191,1319 2.265,1320 0.359,1321 79.564,1322 0.234,1323 24.92,1324 0.65,1325 134,1326 421.454,1327 150.517,1328 399.812,1329 540.99,1330 374,1331 157,1332 393.298,1333 172.522,1334 396.811,1335 577.47,1336 371,1337 4.357}
{0 CHEMBL57900,1 1.617,2 9.875,3 1.632,4 2.663,5 93.548,6 7.568,7 0.654,8 3.873,9 3.998,10 3.444,11 3.349,12 5.051,13 3.356,14 4.362,15 4.531,16 3.753,17 3.698,18 5.497,19 3.683,20 4.513,21 4.689,22 3.808,23 3.826,24 5.612,25 3.785,26 4.593,27 4.819,28 3.718,29 3.823,30 5.631,31 3.748,32 4.601,33 4.824,34 3.65,35 3.787,36 5.586,37 3.712,38 4.535,39 4.759,40 3.628,41 3.75,42 5.533,43 3.673,44 4.535,45 4.765,46 3.651,47 3.698,48 5.57,49 3.618,50 4.491,51 4.739,52 3.483,53 3.56,54 5.54,55 3.486,56 0.069,57 0.656,58 8.742,59 3.468,60 11.922,61 4.59,62 0.327,63 0.964,64 16.351,65 5.923,66 29.55,67 7.665,68 0.392,69 1.115,70 18.927,71 6.599,72 29.89,73 9.089,74 0.278,75 1.149,76 21.448,77 7.457,78 36.642,79 10.668,80 0.366,81 1.095,82 22.495,83 7.419,84 37.757,85 10.367,86 0.309,87 1.069,88 20.417,89 6.784,90 31.39,91 9.789,92 0.306,93 1.024,94 20.781,95 7.261,96 31.479,97 10.597,98 0.421,99 0.961,100 20.938,101 5.98,102 41.264,103 8.735,104 14,105 35,106 0.282,107 0.65,108 0.812,109 0.885,110 0.885,111 0.885,112 3.229,113 0.869,114 -2.81,115 -2.83,116 -2.74,119 39.5,121 1,124 1,125 2,139 4,140 3,141 1,142 2,143 1,144 1,147 1,157 2,158 2,159 2,166 7,169 1,170 5,172 3,173 3,175 1,178 7,180 1,181 2,182 7,187 1,189 6,191 1,193 6,195 1,196 1,197 1,198 2,200 2,201 4,204 2,205 1,207 8,212 3,215 3,218 3,220 1,221 5,226 2,229 1,231 2,233 2,234 5,236 1,237 1,239 3,243 3,245 2,246 4,248 1,249 1,251 2,256 2,262 1,263 1,265 1,270 1,273 828,274 16.37,275 16.37,276 16.37,277 16.37,278 16.37,279 14.281,280 19.002,281 10.007,282 16.941,283 12.841,284 12.841,285 12.841,286 12.841,287 12.841,288 9.731,289 24.974,290 4.763,291 13.663,292 3.809,293 1.693,294 0.762,295 0.343,296 0.343,297 0.343,298 3.913,300 1,301 1,302 1,303 500,304 2.915,307 193.578,311 103.695,314 1.396,315 21.595,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52.5,327 237,328 4.537,329 3.251,330 6.538,331 4.063,332 3.09,333 4.473,334 0.86,335 10.353,336 3.01,337 4.237,338 3.047,339 6.088,340 3.817,341 2.859,342 3.887,343 0.86,344 8.845,345 2.744,346 3.654,347 2.536,348 5.284,349 3.253,350 2.29,351 3.076,352 0.68,353 6.737,354 2.206,355 3.506,356 2.438,357 5.227,358 3.083,359 2.14,360 2.884,362 6.337,363 2.012,364 3.384,365 2.154,366 4.922,367 2.947,368 2.006,369 2.706,371 5.656,372 1.876,373 2.905,374 2.139,375 4.154,376 2.512,377 1.618,378 2.094,380 3.7,381 1.433,382 2.814,383 1.574,384 3.938,385 2.404,386 1.454,387 1.945,389 3.353,390 1.382,391 2.704,392 1.479,393 3.62,394 2.325,395 1.37,396 1.724,398 3.011,399 1.302,400 2.437,401 1.4,402 3.52,403 2.008,404 1.094,405 1.42,407 2.55,408 0.993,409 1.778,410 0.991,411 3.033,412 1.52,413 0.652,414 0.719,415 1.179,416 0.561,417 1.629,418 0.605,419 2.897,420 1.307,421 0.36,422 0.44,423 0.869,424 0.339,425 1.205,426 0.27,427 2.522,428 0.826,429 -0.109,430 -0.132,431 -0.224,432 -0.1,433 0.965,434 -0.064,435 2.376,436 0.599,437 -0.341,438 -0.41,439 -0.764,440 -0.318,441 0.799,442 -0.285,443 2.358,444 0.393,445 -0.515,446 -0.621,448 -1.242,449 -0.466,450 0.714,451 -0.314,452 2,453 0.335,454 -0.618,455 -0.822,457 -1.515,458 -0.583,459 11.167,460 0.465,461 0.503,462 0.021,463 33.5,464 1.396,465 17.5,466 0.729,467 16,468 0.667,469 16.378,470 0.682,471 26.033,472 0.605,473 23.96,474 0.998,475 6.864,476 0.286,477 4.805,478 0.2,479 0.116,481 0.313,485 1.011,486 1.313,487 0.804,488 1.096,489 1.172,490 0.929,491 1.26,492 0.861,493 0.88,494 0.853,495 0.837,496 0.828,497 1.039,498 1.148,499 1.026,500 1.052,501 0.934,502 1.043,503 0.802,504 0.994,505 0.972,506 1.097,507 0.849,508 1.061,509 1.257,510 0.981,511 1.061,512 0.98,513 1.076,514 0.996,515 0.942,516 1.042,517 1.046,518 1.076,519 1.015,520 1.072,521 0.611,522 1.217,523 0.806,524 1.197,525 0.503,526 1.074,527 1.264,528 0.935,529 1.067,530 0.92,531 1.151,532 0.958,533 4.5,534 0.078,535 2.222,536 1.563,537 1.32,538 0.5,539 0.607,540 0.354,541 0.23,542 0.175,543 6038,544 17484,545 2.064,546 44.2,547 2,548 11,550 2,551 4,555 1.673,556 1.946,557 3.272,558 1.819,559 1,560 1,562 1,564 69.522,565 1.617,566 3.733,567 4.665,568 5.083,569 5.083,570 5.083,571 2.701,572 4.085,573 4.552,574 3.393,575 936.361,576 7.88,577 11015.6,579 1,581 1,582 233.329,583 1.347,584 4.522,585 0.173,586 0.008,587 0.063,588 0.043,589 0.041,590 0.017,591 0.021,592 0.012,593 0.01,594 0.011,595 0.399,596 0.17,597 1,598 1.33,599 113.646,600 -0.122,601 -0.095,602 0.031,603 -0.03,604 -0.212,605 0.029,606 -0.065,607 0.216,608 0.052,609 0.175,610 0.069,611 0.127,612 -0.001,613 -0.069,614 -0.111,615 -0.028,616 -0.068,617 -0.081,618 -0.011,619 0.027,620 -0.04,621 -0.09,622 0.037,623 -0.067,624 -0.195,625 -0.024,626 -0.088,627 0.027,628 -0.155,629 -0.007,630 -0.068,631 -0.029,632 -0.104,633 -0.078,634 -0.133,635 -0.089,636 0.249,637 -0.277,638 0.155,639 -0.173,640 0.302,641 -0.055,642 -0.114,643 0.015,644 -0.049,645 0.011,646 -0.075,647 -0.012,648 1.498,649 2.317,650 0.667,651 20.917,652 1.008,653 1.135,654 1.585,655 2.511,656 0.657,657 3.296,658 3.584,659 3.829,660 4.094,661 4.344,662 4.382,663 4.5,664 4.625,665 4.718,666 4.673,667 5.784,668 0.633,669 325.41,670 3.296,671 4.812,672 5.645,673 6.512,674 7.368,675 8.244,676 9.111,677 9.991,678 10.863,679 11.746,680 11.6,684 2,690 3,694 2,695 6,696 3,700 5,702 17,711 2,716 1,718 43,719 17,720 1,721 26,723 45,724 17,725 13,726 4,727 2,729 3,730 4,739 1,741 13,742 4,753 1,754 1,757 19,758 7,759 4,760 7,764 5,769 0.667,770 2,775 1,776 1,781 3,785 1,801 1,802 2,806 1,810 24,811 2,816 3,818 2,829 4.7,833 1,834 1,836 12.333,837 7.85,838 5.417,839 2.285,840 3.367,841 1.477,842 0.984,843 5.085,844 10.429,845 3.57,846 4.19,847 4.79,848 5.404,849 6.001,850 6.253,851 6.64,852 7.085,853 7.503,854 7.652,855 0.857,856 36,857 8.787,859 3.607,860 7.757,861 16.623,863 13.063,865 2.257,866 54.167,870 176.567,871 99.161,872 116.151,874 22,877 99.161,878 198.566,879 116.151,880 10.883,881 11.719,882 103.699,883 84.899,884 45.426,885 4.227,886 153.024,888 176.567,889 215.312,890 22,893 176.567,894 11,895 11,897 33.857,898 131.098,899 50.357,901 176.567,902 138.151,903 99.161,906 176.567,907 32.278,908 66.883,910 138.151,911 176.567,912 138.151,913 99.161,915 0.566,916 0.323,917 0.179,918 0.103,919 16,920 7,921 0.133,922 6,923 1,924 1.125,925 3.612,926 190.895,927 0.125,928 16,929 110.039,933 16.43,934 7.427,935 3.925,936 1.816,937 138.151,938 11.305,939 12.413,943 3.117,945 65.794,946 413.878,947 34.5,956 43.349,957 48.817,958 0.298,959 0.688,960 0.86,961 0.937,962 0.937,963 0.937,964 4.773,965 1.37,966 5.609,967 3.353,968 4.263,969 4.875,970 1.586,971 6.389,972 4.16,973 5.977,974 1.094,975 7.143,976 3.011,977 3.761,978 4.691,980 7.209,981 3.649,982 7.281,983 0.652,984 8.778,985 2.55,986 5.814,987 7.132,988 1.285,989 10.319,990 5.645,991 8.623,992 0.36,993 10.474,994 1.179,995 6.133,996 7.782,998 11.98,999 5.956,1000 9.999,1001 -0.109,1002 12.209,1003 0.869,1004 7.646,1005 9.694,1006 1.035,1007 14.594,1008 7.426,1009 11.398,1010 -0.341,1011 13.972,1012 -0.224,1013 8.373,1014 10.758,1016 16.62,1017 8.139,1018 12.817,1019 -0.515,1020 15.754,1021 -0.764,1022 9.651,1023 12.435,1024 0.828,1025 19.052,1026 9.384,1027 3.09,1028 -0.618,1029 17.552,1030 -1.242,1031 10.579,1032 13.711,1034 21.242,1035 10.292,1036 2.859,1037 10.353,1038 19.362,1039 -1.515,1040 11.757,1041 15.281,1042 0.656,1043 23.605,1044 11.441,1045 2.29,1046 8.845,1047 21.182,1048 4.473,1049 12.782,1050 16.663,1052 25.868,1053 12.442,1054 2.14,1055 6.737,1056 23.009,1057 3.887,1058 13.917,1059 18.185,1060 0.515,1061 28.206,1062 13.551,1063 2.006,1064 6.337,1065 24.843,1066 3.076,1067 14.988,1068 19.62,1070 30.503,1071 14.597,1072 1.618,1073 5.656,1074 26.682,1075 2.884,1076 16.107,1077 21.122,1078 0.401,1079 32.834,1080 15.691,1081 1.454,1082 3.7,1083 28.526,1084 2.706,1085 17.2,1086 22.584,1088 35.148,1089 16.758,1090 5965,1091 10246,1092 17.394,1093 28.267,1094 37.98,1095 38.6,1096 39.211,1097 37.832,1098 37.866,1099 50.734,1100 4.8,1101 105.178,1102 35.717,1103 5.387,1104 5.251,1105 6.447,1106 5.133,1107 5.09,1108 7.473,1109 1.72,1110 17.3,1111 5.01,1112 11.033,1113 1.461,1114 1.485,1115 1.508,1116 1.455,1117 1.456,1118 1.951,1119 0.185,1120 4.045,1121 1.374,1122 4.087,1123 4.111,1124 4.051,1125 4.015,1126 5.291,1127 4.02,1128 3.858,1129 3.913,1130 3.822,1131 3.702,1132 5.022,1133 3.724,1134 3.576,1135 3.616,1136 3.449,1137 3.381,1138 4.977,1139 3.389,1140 3.47,1141 3.522,1142 3.366,1143 3.294,1144 4.671,1145 3.306,1146 3.193,1147 3.263,1148 3.067,1149 2.962,1150 4.487,1151 2.979,1152 3.094,1153 3.197,1154 2.942,1155 2.838,1156 4.436,1157 2.846,1158 2.969,1159 3.078,1160 2.791,1161 2.761,1162 4.212,1163 2.748,1164 2.914,1165 2.992,1166 2.756,1167 2.64,1168 3.83,1169 2.665,1170 0.175,1171 0.125,1172 0.251,1173 0.156,1174 0.119,1175 4.537,1176 0.172,1177 3.251,1178 0.033,1179 6.538,1180 0.398,1181 4.063,1182 0.116,1183 3.09,1184 4.473,1185 0.86,1186 10.353,1187 3.01,1188 2.044,1189 2.024,1190 2.116,1191 2.132,1192 1.281,1193 2.128,1194 1.783,1195 1.739,1196 1.875,1197 1.97,1198 0.996,1199 1.943,1200 1.507,1201 1.465,1202 1.766,1203 1.776,1204 0.967,1205 1.771,1206 1.439,1207 1.388,1208 1.612,1209 1.612,1210 0.621,1211 1.62,1212 1.134,1213 1.065,1214 1.509,1215 1.437,1216 0.557,1217 1.456,1218 1.054,1219 0.964,1220 1.32,1221 1.369,1222 0.337,1223 1.365,1224 0.921,1225 0.852,1226 1.215,1227 1.237,1228 0.176,1229 1.249,1230 0.863,1231 0.752,1232 1.124,1233 1.111,1234 0.046,1235 1.12,1236 3.97,1238 5.263,1240 6.76,1242 8.362,1244 10.019,1246 1.639,1250 11.472,1252 1.549,1254 10.856,1262 27.224,1263 69.522,1264 160.535,1265 200.574,1266 218.574,1267 218.574,1268 218.574,1269 33.55,1270 7.062,1271 109.17,1272 109.17,1273 18,1274 12.282,1275 4.17,1276 3.248,1277 39.096,1278 82,1279 94,1280 0.235,1281 170.205,1282 284.34,1283 407.06,1284 10282,1286 16.941,1287 0.706,1288 0.558,1289 16.941,1290 13.398,1291 11.669,1292 0.449,1293 0.29,1294 7.386,1295 11.097,1296 7.202,1297 5.989,1298 11.669,1299 7.534,1300 10.193,1301 0.291,1302 0.152,1303 10.193,1304 5.326,1305 8.269,1306 0.184,1307 0.08,1308 8.269,1309 3.586,1310 6.964,1311 0.118,1312 0.042,1313 6.964,1314 2.456,1315 5.733,1316 0.075,1317 0.022,1318 5.733,1319 1.697,1320 0.362,1321 74.023,1322 0.24,1323 23.32,1324 0.661,1325 122,1326 381.031,1327 135.528,1328 365.955,1329 499.61,1330 344,1331 141,1332 363.618,1333 154.141,1334 371.085,1335 537.39,1336 346,1337 5.004}
{0 CHEMBL58038,1 1.523,2 8.682,3 2.168,4 4.699,5 91.236,6 6.963,7 0.5,8 3.86,9 4.005,10 3.362,11 3.339,12 4.956,13 3.322,14 4.385,15 4.58,16 3.716,17 3.745,18 5.412,19 3.697,20 4.609,21 4.815,22 3.802,23 3.927,24 5.573,25 3.849,26 4.74,27 4.98,28 3.714,29 3.94,30 5.684,31 3.825,32 4.74,33 4.997,34 3.585,35 3.863,36 5.616,37 3.739,38 4.628,39 4.882,40 3.419,41 3.748,42 5.495,43 3.607,44 4.6,45 4.907,46 3.394,47 3.617,48 5.427,49 3.461,50 4.371,51 4.647,52 3.289,53 3.4,54 5.366,55 3.292,56 0.052,57 0.665,58 9.864,59 3.499,60 11.548,61 5.167,62 0.229,63 1.019,64 17.691,65 6.431,66 25.521,67 9.164,68 0.19,69 1.238,70 22.099,71 7.758,72 22.723,73 11.639,74 0.248,75 1.286,76 25.974,77 8.808,78 37.893,79 13.229,80 0.309,81 1.192,82 26.781,83 8.46,84 37.001,85 12.815,86 0.253,87 1.071,88 23.747,89 7.6,90 31.575,91 11.575,92 0.322,93 0.96,94 23.816,95 7.559,96 34.341,97 11.98,98 0.242,99 0.843,100 18.629,101 5.025,102 30.37,103 8.309,104 18,105 34,106 0.268,107 0.648,108 0.852,109 0.877,110 0.877,111 0.877,112 3.147,113 0.925,114 -3.76,115 -3.72,116 -3.54,119 37.2,120 1,121 2,122 1,124 1,125 1,139 2,140 3,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 3,172 3,173 3,175 3,178 9,180 1,182 4,185 1,187 4,189 7,191 1,193 5,195 1,196 1,197 1,198 4,200 2,201 5,204 2,205 1,207 7,212 4,215 5,218 3,221 2,226 3,229 2,231 2,233 2,234 2,236 1,237 1,239 3,243 3,246 4,249 2,250 1,251 3,253 1,256 3,262 1,263 1,265 1,270 1,273 600,274 14.748,275 14.748,276 14.748,277 14.748,278 14.748,279 13.22,280 25.239,281 8.534,282 15.16,283 11.771,284 11.771,285 11.771,286 11.771,287 11.771,288 9.359,289 36.576,290 3.964,291 12.338,292 3.903,293 1.749,294 0.593,295 0.454,296 0.454,297 0.454,298 3.826,300 1,301 1,302 1,303 407,304 2.449,307 171.793,311 90.663,314 1.194,315 17.969,316 1,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 47.5,327 191,328 4.48,329 3.385,330 6.688,331 4.135,332 3.156,333 4.144,334 0.86,335 10.812,336 3.092,337 4.233,338 3.077,339 6.09,340 3.827,341 2.866,342 3.877,343 0.68,344 8.854,345 2.759,346 3.642,347 2.711,348 5.649,349 3.375,350 2.401,351 2.957,352 0.4,353 7.344,354 2.335,355 3.535,356 2.521,357 5.284,358 3.21,359 2.259,360 2.776,362 6.72,363 2.145,364 3.364,365 2.165,366 4.922,367 2.945,368 2.004,369 2.662,371 5.656,372 1.875,373 2.824,374 1.853,375 4.463,376 2.462,377 1.489,378 1.953,380 4.111,381 1.445,382 2.676,383 1.612,384 4.144,385 2.375,386 1.447,387 1.699,389 3.691,390 1.338,391 2.411,392 1.503,393 3.871,394 2.276,395 1.343,396 1.409,398 3.15,399 1.247,400 1.654,401 0.926,402 3.099,403 1.392,404 0.478,405 0.539,407 1.022,408 0.429,409 1.607,410 0.65,411 2.909,412 1.32,413 0.394,414 0.465,415 0.763,416 0.366,417 1.131,418 0.171,419 2.561,420 0.877,421 -0.068,422 -0.076,423 -0.142,424 -0.064,425 0.799,426 -0.252,427 2.388,428 0.511,429 -0.456,430 -0.517,431 -1.148,432 -0.44,433 0.737,434 -0.314,435 2.359,436 0.392,437 -0.515,438 -0.621,439 -1.243,440 -0.467,441 0.631,442 -0.42,443 2.287,444 0.296,445 -0.683,446 -0.864,448 -1.765,449 -0.662,450 0.424,451 -0.504,452 2,453 0.161,454 -0.782,455 -0.893,457 -2.103,458 -0.733,459 10.333,460 0.47,461 0.592,462 0.027,463 28.5,464 1.295,465 14,466 0.636,467 14.5,468 0.659,469 17.73,470 0.806,471 24.467,472 0.569,473 19.21,474 0.873,475 5.422,476 0.246,477 5.157,478 0.234,479 0.174,481 0.387,485 1.085,486 1.315,487 0.896,488 1.081,489 1.228,490 0.969,491 0.922,492 0.907,493 0.818,494 0.917,495 0.563,496 0.876,497 0.849,498 1.212,499 0.983,500 1.162,501 0.756,502 1.102,503 0.905,504 1.078,505 1.074,506 1.195,507 0.87,508 1.165,509 1.287,510 0.972,511 1.092,512 1.028,513 0.973,514 1.043,515 1.207,516 1.098,517 1.173,518 1.169,519 1.065,520 1.178,521 0.411,522 0.942,523 0.644,524 0.895,525 0.417,526 0.824,527 0.947,528 1.199,529 0.958,530 1.078,531 1.055,532 1.03,533 5,534 0.025,535 2.667,536 1.75,537 1.631,538 0.59,539 0.567,540 0.361,541 0.164,542 0.165,543 4600,544 11388,545 2.043,546 48.8,547 6,548 7,550 1,551 5,553 2,555 1.648,556 1.886,557 3.083,558 2.734,559 1,560 1,562 1,564 65.481,565 1.523,566 3.677,567 4.833,568 4.973,569 4.973,570 4.973,571 2.465,572 4.005,573 4.434,574 3.207,575 740.907,576 7.629,577 7995.4,579 1,581 1,582 233.329,583 1.495,584 4.376,585 0.208,586 0.005,587 0.078,588 0.049,589 0.053,590 0.022,591 0.026,592 0.016,593 0.009,594 0.016,595 0.482,596 0.5,597 1,598 0.853,599 99.857,600 -0.134,601 -0.025,602 0.027,603 0.04,604 -0.193,605 0.061,606 0.104,607 0.225,608 0.132,609 0.164,610 0.24,611 0.145,612 -0.004,613 -0.099,614 -0.051,615 -0.085,616 -0.009,617 -0.075,618 -0.024,619 -0.051,620 -0.125,621 -0.164,622 -0.007,623 -0.159,624 -0.175,625 -0.026,626 -0.11,627 -0.028,628 -0.093,629 -0.057,630 -0.172,631 -0.141,632 -0.204,633 -0.163,634 -0.162,635 -0.188,636 0.38,637 -0.114,638 0.331,639 0.085,640 0.346,641 0.182,642 0.092,643 -0.237,644 0.039,645 -0.162,646 0.066,647 -0.091,648 1.47,649 2.044,650 0.727,651 15.455,652 0.998,653 1.14,654 2.526,655 6.38,656 0.641,657 3.219,658 3.555,659 3.829,660 4.094,661 4.344,662 4.344,663 4.454,664 4.533,665 4.605,666 4.564,667 5.169,668 0.605,669 299.42,670 3.219,671 4.762,672 5.617,673 6.503,674 7.376,675 8.264,676 9.145,677 10.034,678 10.917,679 11.807,680 11.6,684 2,685 1,690 2,695 3,696 2,700 7,702 12,711 2,712 1,716 1,718 43,719 12,720 1,721 24,723 45,724 16,725 10,726 4,727 2,729 3,730 4,734 1,736 1,737 1,739 2,741 10,742 6,743 1,753 1,754 1,757 21,758 6,759 5,760 6,764 5,769 0.667,770 1,776 1,781 3,785 1,802 2,806 2,810 22,811 2,816 3,817 1,818 1,820 1,829 2.3,834 1,836 11.667,837 8.067,838 4.861,839 2.467,840 2.275,841 1.328,842 0.987,843 4.182,844 9.203,845 3.434,846 4.043,847 4.6,848 5.147,849 5.678,850 5.824,851 6.102,852 6.431,853 6.779,854 7.014,855 0.833,856 36,857 8.086,859 3.375,860 7.659,861 15.595,863 12.783,865 2.159,866 47.5,870 188.338,871 76.667,872 117.376,874 11,877 76.667,878 199.338,879 117.376,880 19.708,881 7.175,882 84.747,883 63.353,884 37.604,885 4.227,886 176.567,888 188.338,889 194.043,890 11,893 164.795,894 34.542,897 26.946,898 115.515,899 51.582,901 188.338,902 128.376,903 76.667,906 188.338,907 28.959,908 47.708,909 18.011,910 110.365,911 188.338,912 128.376,913 76.667,915 0.585,916 0.35,917 0.191,918 0.108,919 17,920 8,921 0.067,922 3,923 1,924 1.125,925 3.338,926 174.832,927 0.125,928 16,929 98.107,933 15.067,934 6.107,935 3.036,937 128.376,938 5.94,939 8.04,943 5.882,945 83.805,946 393.381,947 30,956 42.905,957 49.023,958 0.281,959 0.678,960 0.891,961 0.916,962 0.916,963 0.916,964 4.682,965 1.343,966 5.617,967 3.691,968 4.234,969 4.727,970 1.315,971 6.441,972 4.153,973 5.893,974 0.478,975 7.188,976 3.15,977 3.892,978 4.62,980 7.357,981 3.794,982 7.209,983 0.394,984 8.855,985 1.022,986 5.844,987 6.92,988 0.945,989 10.456,990 5.706,991 8.558,992 -0.068,993 10.578,994 0.763,995 6.275,996 7.573,998 12.176,999 6.123,1000 9.937,1001 -0.456,1002 12.336,1003 -0.142,1004 7.728,1005 9.394,1006 0.701,1007 14.805,1008 7.547,1009 11.336,1010 -0.515,1011 14.118,1012 -1.148,1013 8.525,1014 10.405,1016 16.882,1017 8.328,1018 12.751,1019 -0.683,1020 15.919,1021 -1.243,1022 9.778,1023 12.019,1024 0.525,1025 19.344,1026 9.557,1027 3.156,1028 -0.782,1029 17.735,1030 -1.765,1031 10.751,1032 13.215,1034 21.583,1035 10.513,1036 2.866,1037 10.812,1038 19.562,1039 -2.103,1040 11.924,1041 14.728,1042 0.395,1043 23.984,1044 11.664,1045 2.401,1046 8.854,1047 21.4,1048 4.144,1049 12.98,1050 16.02,1052 26.296,1053 12.702,1054 2.259,1055 7.344,1056 23.245,1057 3.877,1058 14.123,1059 17.483,1060 0.298,1061 28.677,1062 13.825,1063 2.004,1064 6.72,1065 25.097,1066 2.957,1067 15.219,1068 18.827,1070 31.023,1071 14.902,1072 1.489,1073 5.656,1074 26.955,1075 2.776,1076 16.352,1077 20.263,1078 0.224,1079 33.398,1080 16.017,1081 1.447,1082 4.111,1083 28.818,1084 2.662,1085 17.468,1086 21.636,1088 35.76,1089 17.114,1090 4537,1091 7246,1092 15.72,1093 27.574,1094 35.853,1095 36.339,1096 37.572,1097 35.632,1098 35.677,1099 44.964,1100 3.88,1101 104.248,1102 34.064,1103 5.426,1104 5.385,1105 6.229,1106 5.205,1107 5.156,1108 7.144,1109 1.72,1110 17.956,1111 5.092,1112 11.549,1113 1.494,1114 1.514,1115 1.565,1116 1.485,1117 1.487,1118 1.874,1119 0.162,1120 4.344,1121 1.419,1122 4.04,1123 4.072,1124 3.987,1125 3.961,1126 5.291,1127 3.963,1128 3.848,1129 3.904,1130 3.806,1131 3.691,1132 4.979,1133 3.711,1134 3.565,1135 3.62,1136 3.437,1137 3.43,1138 4.854,1139 3.425,1140 3.308,1141 3.375,1142 3.172,1143 3.071,1144 4.461,1145 3.085,1146 3.186,1147 3.288,1148 2.991,1149 2.951,1150 4.406,1151 2.943,1152 3.118,1153 3.222,1154 2.932,1155 2.865,1156 4.139,1157 2.867,1158 2.968,1159 3.085,1160 2.801,1161 2.658,1162 3.886,1163 2.681,1164 2.792,1165 2.897,1166 2.623,1167 2.565,1168 3.745,1169 2.566,1170 0.187,1171 0.141,1172 0.279,1173 0.172,1174 0.132,1175 4.48,1176 0.173,1177 3.385,1178 0.036,1179 6.688,1180 0.451,1181 4.135,1182 0.129,1183 3.156,1184 4.144,1185 0.86,1186 10.812,1187 3.092,1188 1.998,1189 1.973,1190 2.109,1191 2.102,1192 1.392,1193 2.105,1194 1.782,1195 1.735,1196 1.909,1197 1.971,1198 1.132,1199 1.95,1200 1.553,1201 1.501,1202 1.731,1203 1.73,1204 0.819,1205 1.741,1206 1.255,1207 1.183,1208 1.579,1209 1.538,1210 0.731,1211 1.551,1212 1.178,1213 1.083,1214 1.557,1215 1.467,1216 0.569,1217 1.503,1218 1.069,1219 0.982,1220 1.338,1221 1.382,1222 0.374,1223 1.377,1224 0.886,1225 0.77,1226 1.22,1227 1.25,1228 0.239,1229 1.26,1230 0.763,1231 0.674,1232 1.101,1233 1.063,1234 0.077,1235 1.084,1236 3.892,1238 5.22,1240 6.756,1242 8.39,1244 10.074,1246 3.935,1250 11.476,1252 2.748,1253 3.432,1254 5.544,1256 0.505,1262 26.036,1263 65.481,1264 158.104,1265 207.82,1266 213.82,1267 213.82,1268 213.82,1269 30.617,1270 6.928,1271 99.08,1272 99.08,1273 18,1274 12.337,1275 3.7,1276 2.807,1277 34.37,1278 68,1279 70,1280 0.253,1281 162.471,1282 274.43,1283 388.189,1284 8444,1286 15.69,1287 0.713,1288 0.586,1289 15.69,1290 12.888,1291 10.58,1292 0.441,1293 0.308,1294 7.285,1295 10.152,1296 7.048,1297 5.89,1298 10.58,1299 7.397,1300 9.633,1301 0.283,1302 0.167,1303 9.633,1304 5.694,1305 8.094,1306 0.18,1307 0.092,1308 8.094,1309 4.134,1310 6.77,1311 0.115,1312 0.049,1313 6.77,1314 2.897,1315 5.631,1316 0.074,1317 0.028,1318 5.631,1319 2.122,1320 0.386,1321 66.488,1322 0.252,1323 21.345,1324 0.725,1325 116,1326 305.983,1327 126.649,1328 300.646,1329 417.85,1330 282,1331 137,1332 315.207,1333 147.373,1334 323.293,1335 469.76,1336 302,1337 4.481}
{0 CHEMBL58366,1 1.54,2 9.36,3 2.207,4 4.873,5 101.524,6 7.201,7 0.63,8 3.946,9 4.087,10 3.478,11 3.421,12 5.095,13 3.411,14 4.444,15 4.65,16 3.834,17 3.791,18 5.526,19 3.768,20 4.58,21 4.747,22 3.937,23 3.981,24 5.673,25 3.937,26 4.795,27 5.024,28 3.919,29 4.058,30 5.794,31 3.971,32 4.83,33 5.056,34 3.885,35 4.066,36 5.795,37 3.969,38 4.843,39 5.076,40 3.724,41 4.005,42 5.793,43 3.884,44 4.843,45 5.13,46 3.611,47 3.862,48 5.715,49 3.715,50 4.613,51 4.897,52 3.5,53 3.665,54 5.582,55 3.535,56 0.038,57 0.735,58 10.212,59 3.67,60 11.812,61 5.338,62 0.276,63 1.095,64 18.643,65 6.147,66 26.479,67 8.907,68 0.175,69 1.311,70 20.103,71 7.107,72 22.419,73 10.383,74 0.254,75 1.444,76 26.698,77 9.374,78 36.851,79 13.809,80 0.284,81 1.448,82 27.909,83 9.555,84 33.885,85 14.114,86 0.295,87 1.406,88 28.645,89 9.193,90 38.846,91 13.731,92 0.469,93 1.239,94 30.808,95 9.617,96 45.644,97 14.725,98 0.332,99 1.076,100 23.839,101 7.429,102 37.708,103 11.491,104 41,105 39,106 0.263,107 0.642,108 0.798,109 0.83,110 0.83,111 0.83,112 3.268,113 0.879,114 -3.32,115 -3.31,116 -3.17,119 38.3,120 1,121 1,124 3,139 3,140 3,141 2,142 1,143 2,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 8,172 3,173 3,175 1,178 7,180 1,181 1,182 7,187 1,189 5,191 1,192 1,193 7,195 1,196 1,197 1,198 2,200 2,201 3,204 2,205 1,206 1,207 10,212 3,215 4,218 3,221 4,226 2,229 2,231 2,233 2,236 1,237 1,239 2,241 1,243 2,245 4,246 2,248 2,249 2,251 2,254 1,256 2,262 1,263 1,273 820,274 16.403,275 16.403,276 16.403,277 16.403,278 16.403,279 14.322,280 25.024,281 9.407,282 16.922,283 13.255,284 13.255,285 13.255,286 13.255,287 13.255,288 9.993,289 35.341,290 4.391,291 13.988,292 4.014,293 1.805,294 0.889,295 0.703,296 0.703,297 0.703,298 3.943,300 1,301 1,302 1,303 491,304 3.082,307 200.656,311 105.772,314 1.306,315 19.186,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54,327 234,328 4.655,329 3.355,330 6.804,331 4.198,332 3.226,333 4.607,334 0.86,335 11.246,336 3.135,337 4.244,338 3.088,339 6.096,340 3.837,341 2.876,342 3.889,343 0.8,344 8.878,345 2.77,346 3.921,347 2.882,348 5.995,349 3.555,350 2.609,351 3.39,352 0.68,353 8.381,354 2.469,355 3.669,356 2.533,357 5.305,358 3.269,359 2.315,360 3.083,362 6.81,363 2.202,364 3.48,365 2.398,366 5.005,367 3.081,368 2.134,369 2.81,371 5.891,372 2.023,373 3.32,374 2.175,375 4.95,376 2.91,377 1.96,378 2.617,380 5.568,381 1.852,382 3.077,383 2.035,384 4.896,385 2.744,386 1.802,387 2.207,389 5.235,390 1.686,391 2.822,392 1.549,393 4.144,394 2.348,395 1.414,396 1.951,398 3.665,399 1.318,400 2.357,401 1.362,402 3.91,403 2.007,404 1.084,405 1.327,407 2.769,408 0.996,409 1.74,410 0.867,411 3.196,412 1.409,413 0.483,414 0.58,415 1.107,416 0.441,417 1.609,418 0.669,419 2.944,420 1.319,421 0.398,422 0.468,423 0.783,424 0.367,425 1.255,426 0.261,427 2.729,428 0.899,429 -0.034,430 -0.042,431 -0.073,432 -0.032,433 0.923,434 -0.273,435 2.574,436 0.446,437 -0.512,438 -0.62,439 -1.242,440 -0.465,441 0.802,442 -0.314,443 2.359,444 0.405,445 -0.523,446 -0.686,448 -1.474,449 -0.501,450 0.713,451 -0.364,452 2.312,453 0.383,454 -0.58,455 -0.747,457 -1.582,458 -0.567,459 11.733,460 0.469,461 0.788,462 0.032,463 34.75,464 1.39,465 18,466 0.72,467 16.75,468 0.67,469 19.572,470 0.783,471 27.267,472 0.58,473 26.227,474 1.049,475 7.014,476 0.281,477 4.87,478 0.195,479 0.239,481 0.418,485 1.046,486 1.438,487 0.851,488 1.134,489 1.236,490 0.982,491 1.075,492 0.789,493 0.713,494 0.671,495 0.571,496 0.649,497 1.047,498 1.302,499 1.063,500 1.193,501 0.96,502 1.137,503 0.798,504 1.01,505 0.956,506 1.096,507 0.824,508 1.055,509 1.025,510 1.098,511 1.058,512 1.143,513 0.869,514 1.117,515 1.31,516 1.157,517 1.307,518 1.282,519 1.171,520 1.298,521 0.929,522 0.931,523 0.871,524 0.936,525 0.645,526 0.924,527 0.637,528 0.963,529 0.865,530 1.031,531 0.752,532 0.998,533 6.5,534 0.091,535 2.889,536 2.063,537 2.222,538 0.965,539 0.809,540 0.417,541 0.304,542 0.245,543 6191,544 16389,545 1.992,546 46.8,547 2,548 12,550 1,551 4,552 3,555 1.685,556 1.807,557 3.176,558 1.776,559 1,560 1,564 72.39,565 1.54,566 3.75,567 4.666,568 4.852,569 4.852,570 4.852,571 2.613,572 4.564,573 4.616,574 3.312,575 993.452,576 8.011,577 11695.4,579 1,581 1,582 261.066,583 1.554,584 4.541,585 0.241,586 0.009,587 0.074,588 0.049,589 0.056,590 0.025,591 0.027,592 0.015,593 0.013,594 0.014,595 0.523,596 0.17,597 1,598 0.971,599 118.53,600 -0.107,601 -0.181,602 0.038,603 -0.049,604 -0.242,605 0.011,606 0.052,607 0.32,608 0.249,609 0.346,610 0.262,611 0.325,612 -0.104,613 -0.105,614 -0.16,615 -0.128,616 -0.136,617 -0.146,618 0.034,619 0.033,620 -0.019,621 -0.059,622 0.029,623 -0.047,624 -0.063,625 -0.082,626 -0.11,627 -0.105,628 -0.047,629 -0.113,630 -0.238,631 -0.152,632 -0.344,633 -0.279,634 -0.268,635 -0.319,636 0.159,637 -0.102,638 0.143,639 0.051,640 0.202,641 0.081,642 0.25,643 -0.051,644 0.127,645 -0.071,646 0.201,647 -0.013,648 1.494,649 2.081,650 0.64,651 19.216,652 1,653 1.139,654 2.09,655 4.369,656 0.651,657 3.332,658 3.689,659 3.951,660 4.248,661 4.533,662 4.575,663 4.7,664 4.779,665 4.868,666 4.86,667 5.531,668 0.618,669 338.46,670 3.332,671 4.89,672 5.746,673 6.645,674 7.526,675 8.427,676 9.317,677 10.218,678 11.114,679 12.016,680 12.8,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,716 1,718 47,719 17,720 1,721 27,723 49,724 18,725 13,726 4,727 2,729 3,730 4,734 1,739 1,741 13,742 5,753 1,754 1,757 22,758 7,759 4,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 4,810 25,811 2,816 1,818 1,821 1,829 2.1,834 1,836 13.833,837 9.717,838 5.472,839 2.475,840 3.368,841 1.467,842 0.983,843 4.749,844 10.574,845 3.597,846 4.277,847 4.902,848 5.548,849 6.174,850 6.472,851 6.881,852 7.283,853 7.705,854 7.925,855 1,856 42,857 9.155,859 3.764,860 7.7,861 17.418,863 13.805,865 2.2,866 55,870 211.88,871 102.584,872 119.275,874 11,877 102.584,878 222.88,879 119.275,880 36.501,881 2.535,882 94.223,883 62.128,884 45.017,885 4.227,886 200.109,888 211.88,889 221.859,890 11,893 211.88,894 11,897 27.207,898 144.295,899 50.357,901 211.88,902 130.275,903 102.584,906 211.88,907 28.607,908 77.101,910 127.151,911 211.88,912 130.275,913 102.584,915 0.59,916 0.346,917 0.192,918 0.116,919 19,920 10,921 0.082,922 4,923 1,924 1.125,925 3.5,926 211.488,927 0.125,928 16,929 114.096,933 17.396,934 6.825,935 3.502,936 1.872,937 130.275,938 7.806,939 12.707,943 5.186,945 65.794,946 444.739,947 35.5,956 47.007,957 53.521,958 0.277,959 0.675,960 0.84,961 0.874,962 0.874,963 0.874,964 4.846,965 1.414,966 5.765,967 5.235,968 4.369,969 4.963,970 1.473,971 6.608,972 4.275,973 6.094,974 1.084,975 7.349,976 3.665,977 4.111,978 4.956,979 0.325,980 7.557,981 3.982,982 7.43,983 0.483,984 9.028,985 2.769,986 5.999,987 7.268,988 1.093,989 10.662,990 5.834,991 8.799,992 0.398,993 10.759,994 1.107,995 6.479,996 8.02,997 0.268,998 12.406,999 6.281,1000 10.195,1001 -0.034,1002 12.525,1003 0.783,1004 7.901,1005 9.866,1006 0.823,1007 15.058,1008 7.677,1009 11.613,1010 -0.512,1011 14.314,1012 -0.073,1013 8.728,1014 10.997,1015 0.188,1016 17.167,1017 8.474,1018 13.047,1019 -0.523,1020 16.123,1021 -1.242,1022 9.971,1023 12.648,1024 0.62,1025 19.657,1026 9.693,1027 3.226,1028 -0.58,1029 17.946,1030 -1.474,1031 10.967,1032 13.975,1033 0.125,1034 21.933,1035 10.661,1036 2.876,1037 11.246,1038 19.782,1039 -1.582,1040 12.142,1041 15.543,1042 0.465,1043 24.367,1044 11.812,1045 2.609,1046 8.878,1047 21.629,1048 4.607,1049 13.219,1050 16.968,1051 0.082,1052 26.719,1053 12.862,1054 2.315,1055 8.381,1056 23.485,1057 3.889,1058 14.371,1059 18.502,1060 0.348,1061 29.136,1062 13.99,1063 2.134,1064 6.81,1065 25.348,1066 3.39,1067 15.487,1068 19.976,1069 0.054,1070 31.523,1071 15.08,1072 1.96,1073 5.891,1074 27.218,1075 3.083,1076 16.636,1077 21.499,1078 0.259,1079 33.936,1080 16.204,1081 1.802,1082 5.568,1083 29.094,1084 2.81,1085 17.772,1086 22.997,1087 0.035,1088 36.339,1089 17.314,1090 6183,1091 10184,1092 17.224,1093 30.58,1094 40.862,1095 41.226,1096 42.931,1097 40.575,1098 40.601,1099 53.861,1100 4.68,1101 120.667,1102 38.516,1103 5.425,1104 5.355,1105 6.326,1106 5.267,1107 5.226,1108 7.607,1109 1.72,1110 18.588,1111 5.135,1112 15.445,1113 1.513,1114 1.527,1115 1.59,1116 1.503,1117 1.504,1118 1.995,1119 0.173,1120 4.469,1121 1.427,1122 4.107,1123 4.133,1124 4.077,1125 4.032,1126 5.291,1127 4.039,1128 3.865,1129 3.92,1130 3.829,1131 3.71,1132 5.008,1133 3.732,1134 3.595,1135 3.652,1136 3.51,1137 3.454,1138 4.976,1139 3.462,1140 3.439,1141 3.525,1142 3.294,1143 3.216,1144 4.583,1145 3.221,1146 3.286,1147 3.349,1148 3.134,1149 3.033,1150 4.458,1151 3.049,1152 3.146,1153 3.242,1154 2.99,1155 2.932,1156 4.276,1157 2.93,1158 3.006,1159 3.123,1160 2.836,1161 2.756,1162 4.229,1163 2.752,1164 2.903,1165 3.009,1166 2.711,1167 2.665,1168 3.752,1169 2.673,1170 0.172,1171 0.124,1172 0.252,1173 0.155,1174 0.119,1175 4.655,1176 0.171,1177 3.355,1178 0.032,1179 6.804,1180 0.417,1181 4.198,1182 0.116,1183 3.226,1184 4.607,1185 0.86,1186 11.246,1187 3.135,1188 2.056,1189 2.036,1190 2.119,1191 2.148,1192 1.305,1193 2.14,1194 1.793,1195 1.748,1196 1.894,1197 1.978,1198 1.037,1199 1.952,1200 1.557,1201 1.508,1202 1.749,1203 1.76,1204 0.806,1205 1.763,1206 1.414,1207 1.324,1208 1.702,1209 1.65,1210 0.762,1211 1.672,1212 1.222,1213 1.155,1214 1.571,1215 1.528,1216 0.576,1217 1.541,1218 1.118,1219 1.036,1220 1.417,1221 1.397,1222 0.469,1223 1.402,1224 0.958,1225 0.867,1226 1.4,1227 1.291,1228 0.451,1229 1.308,1230 0.934,1231 0.804,1232 1.262,1233 1.239,1234 0.29,1235 1.302,1236 4.007,1238 5.352,1240 6.893,1242 8.532,1244 10.226,1246 7.656,1250 11.54,1252 0.582,1254 5.581,1257 2.07,1262 29.058,1263 72.39,1264 176.253,1265 219.291,1266 228.046,1267 228.046,1268 228.046,1269 36.424,1270 7.206,1271 103.18,1272 103.18,1273 18,1274 12.538,1275 4.17,1276 3.248,1277 41.543,1278 84,1279 88,1280 0.252,1281 182.595,1282 303.85,1283 437.292,1284 11655,1286 18.137,1287 0.725,1288 0.595,1289 18.137,1290 14.868,1291 11.884,1292 0.44,1293 0.293,1294 7.767,1295 11.345,1296 7.397,1297 6.255,1298 11.884,1299 7.912,1300 11.209,1301 0.287,1302 0.159,1303 11.209,1304 6.187,1305 8.922,1306 0.175,1307 0.08,1308 8.922,1309 4.057,1310 7.603,1311 0.11,1312 0.042,1313 7.603,1314 2.878,1315 6.601,1316 0.072,1317 0.023,1318 6.601,1319 2.125,1320 0.384,1321 75.013,1322 0.241,1323 23.752,1324 0.728,1325 132,1326 370.94,1327 144.731,1328 365.633,1329 507.31,1330 342,1331 156,1332 383.447,1333 168.87,1334 396.581,1335 573.6,1336 367,1337 4.155}
{0 CHEMBL58455,1 1.712,2 8.739,3 2.16,4 4.664,5 88.407,6 8.388,7 0.68,8 3.745,9 3.872,10 3.396,11 3.256,12 5.051,13 3.271,14 4.197,15 4.353,16 3.762,17 3.644,18 5.594,19 3.641,20 4.392,21 4.551,22 3.836,23 3.794,24 5.619,25 3.775,26 4.565,27 4.772,28 3.787,29 3.788,30 5.836,31 3.741,32 4.513,33 4.736,34 3.697,35 3.684,36 5.724,37 3.646,38 4.426,39 4.636,40 3.524,41 3.515,42 5.734,43 3.49,44 4.301,45 4.54,46 3.454,47 3.34,48 5.572,49 3.323,50 4.032,51 4.213,52 3.441,53 3.116,54 5.725,55 3.149,56 0.18,57 0.615,58 6.14,59 2.661,60 12.468,61 3.331,62 0.31,63 0.918,64 11.06,65 4.914,66 51.723,67 6.249,68 0.243,69 1.097,70 12.925,71 5.596,72 22.661,73 7.101,74 0.481,75 1.138,76 18.863,77 6.674,78 67.825,79 8.947,80 0.381,81 1.032,82 18.945,83 6.288,84 45.193,85 8.613,86 0.514,87 0.894,88 17.798,89 5.165,90 73.027,91 6.465,92 0.48,93 0.768,94 17.57,95 5.094,96 71.333,97 6.901,98 0.49,99 0.66,100 10.563,101 2.839,102 65.713,103 3.872,104 27,105 36,106 0.304,107 0.678,108 0.813,109 0.864,110 0.864,111 0.864,112 3.189,113 0.822,114 -3.67,115 -3.64,116 -3.47,119 40.5,120 1,121 1,139 3,140 4,141 1,142 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 8,169 2,170 5,172 3,173 3,175 1,178 9,180 1,181 1,182 9,187 1,189 7,191 1,192 2,193 11,195 1,196 1,197 1,198 2,200 2,201 5,204 2,205 1,207 14,212 3,215 5,218 3,221 9,226 2,229 2,231 2,233 2,234 2,236 1,237 1,239 3,243 3,245 6,246 4,248 3,249 3,251 3,256 3,262 1,263 1,265 1,270 1,273 676,274 15.085,275 15.085,276 15.085,277 15.085,278 15.085,279 12.648,280 19.148,281 8.697,282 15.378,283 12.317,284 12.317,285 12.317,286 12.317,287 12.317,288 8.719,289 24.739,290 4.116,291 12.781,292 3.498,293 1.391,294 0.635,295 0.345,296 0.345,297 0.345,298 3.865,300 1,301 1,302 1,303 426,304 2.828,307 180.5,311 95.674,314 1.187,315 29.896,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51,327 201,328 4.656,329 3.81,330 6.773,331 4.178,332 3.197,333 4.622,334 2.612,335 11.089,336 3.139,337 4.241,338 3.163,339 6.09,340 3.828,341 2.868,342 3.888,343 0.68,344 8.855,345 2.761,346 4.029,347 3.017,348 5.919,349 3.52,350 2.539,351 3.646,353 8.03,354 2.487,355 3.671,356 2.544,357 5.286,358 3.269,359 2.305,360 3.082,362 6.756,363 2.223,364 3.397,365 2.259,366 4.923,367 2.954,368 2.013,369 2.717,371 5.657,372 1.883,373 3.307,374 2.122,375 4.809,376 2.716,377 1.743,378 2.636,380 4.815,381 1.694,382 2.916,383 1.574,384 4.146,385 2.408,386 1.458,387 2.11,389 3.694,390 1.385,391 2.816,392 1.447,393 4.032,394 2.326,395 1.374,396 1.945,398 3.383,399 1.302,400 2.504,401 1.303,402 3.552,403 1.93,404 0.944,405 1.444,407 2.313,408 0.93,409 1.674,410 1,411 3.094,412 1.359,413 0.404,414 0.493,415 0.998,416 0.384,417 1.339,418 0.652,419 2.653,420 0.939,421 -0.025,422 -0.033,423 -0.061,424 -0.024,425 1,426 0.233,427 2.502,428 0.514,429 -0.454,430 -0.597,431 -1.148,432 -0.439,433 0.963,434 -0.252,435 2.359,436 0.392,437 -0.515,438 -0.622,439 -1.243,440 -0.467,441 0.799,442 -0.314,443 2.33,444 0.321,445 -0.672,446 -0.942,448 -2,449 -0.667,450 0.738,451 -0.447,452 2.093,453 0.189,454 -0.773,455 -1.035,457 -2.049,458 -0.742,459 10.567,460 0.459,461 0.72,462 0.031,463 35.25,464 1.533,465 20,466 0.87,467 15.25,468 0.663,469 14.479,470 0.63,471 24.233,472 0.655,473 25.679,474 1.116,475 6.97,476 0.303,477 3.982,478 0.173,479 0.186,481 0.416,485 0.592,486 1.13,487 0.704,488 0.856,489 0.7,490 0.801,491 0.415,492 0.906,493 0.61,494 0.896,495 0.349,496 0.817,497 0.746,498 1.257,499 0.943,500 1.217,501 0.595,502 1.133,503 0.826,504 1.017,505 1.03,506 1.126,507 0.833,508 1.126,509 0.954,510 1.064,511 0.951,512 1.113,513 0.849,514 1.034,515 1.642,516 1.006,517 1.293,518 1.023,519 1.673,520 1.074,521 1.278,522 0.899,523 0.839,524 0.815,525 1.484,526 0.772,527 0.903,528 1.182,529 1.04,530 1.118,531 1.022,532 1.124,533 5.5,534 0.025,535 2.889,536 1.875,537 1.831,538 0.736,539 0.647,540 0.455,541 0.177,542 0.201,543 5053,544 17131,545 2.016,546 37.8,547 5,548 3,550 2,551 4,555 1.662,556 1.84,557 3.072,558 1.908,559 1,560 1,562 1,564 63.334,565 1.712,566 3.818,567 4.574,568 4.865,569 4.865,570 4.865,571 2.446,572 3.969,573 4.498,574 3.216,575 813.702,576 7.766,577 9055.3,578 1,579 1,581 1,582 192.75,583 1.538,584 4.428,585 0.22,586 0.004,587 0.08,588 0.049,589 0.054,590 0.024,591 0.026,592 0.019,593 0.008,594 0.018,595 0.502,596 0.33,597 1,598 0.872,599 105.822,600 0.089,601 0.08,602 0.015,603 0.148,604 -0.111,605 0.082,606 0.283,607 0.202,608 0.192,609 0.148,610 0.286,611 0.146,612 -0.085,613 -0.146,614 -0.153,615 -0.194,616 -0.038,617 -0.187,618 0.028,619 -0.032,620 -0.091,621 -0.128,623 -0.136,624 -0.083,625 -0.126,626 0.035,627 -0.111,628 -0.002,629 -0.015,630 -0.387,631 -0.086,632 -0.271,633 -0.069,634 -0.303,635 -0.126,636 -0.06,637 -0.064,638 0.269,639 0.171,640 -0.145,641 0.257,642 0.423,643 -0.127,644 -0.077,645 -0.277,646 0.321,647 -0.311,648 2.429,649 4.342,650 0.696,651 16.582,652 1.022,653 1.137,654 2.442,655 5.962,656 0.675,657 3.258,658 3.611,659 3.871,660 4.143,661 4.407,662 4.419,663 4.543,664 4.635,665 4.673,666 4.663,667 5.232,668 0.667,669 310.35,670 3.258,671 4.812,672 5.666,673 6.558,674 7.434,675 8.328,676 9.212,677 10.106,678 10.995,679 11.89,680 16.2,684 2,690 3,691 1,694 2,695 5,696 3,700 6,702 17,711 2,713 1,718 37,719 19,720 1,721 25,723 39,724 15,725 13,726 4,727 2,729 3,730 4,734 1,739 1,741 13,742 2,744 2,746 1,748 2,753 1,754 1,757 14,758 7,759 4,760 8,764 6,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 1,810 23,811 2,816 1,829 5.4,835 2,836 12.5,837 6.967,838 4.972,839 1.978,840 3.511,841 1.501,842 1.001,843 3.803,844 10.521,845 3.597,846 4.29,847 4.89,848 5.526,849 6.147,850 6.424,851 6.854,852 7.271,853 7.64,854 7.863,855 0.833,856 38,857 8.432,859 3.635,860 8.101,861 15.451,863 12.461,865 2.601,866 59.833,870 117.711,871 79.141,872 121.821,874 50.747,877 79.141,878 168.458,879 121.821,880 14.495,881 2.535,882 94.223,883 73.899,884 35.125,885 4.227,886 94.169,887 50.747,888 117.711,889 200.962,890 50.747,893 117.711,895 50.747,897 33.498,898 111.437,899 56.027,901 117.711,902 172.568,903 79.141,906 117.711,907 23.792,908 61.019,910 166.898,911 117.711,912 172.568,913 79.141,915 0.593,916 0.345,917 0.186,918 0.108,919 18,920 9,921 0.077,922 3,923 1,924 1.125,925 3.378,926 187.457,927 0.125,928 16,929 102.042,933 15.129,934 5.782,935 2.915,936 1.118,937 166.898,938 8.293,939 11.952,943 2.645,945 65.794,946 369.42,947 35.5,949 -0.429,951 22.684,956 37.8,957 42.069,958 0.329,959 0.733,960 0.878,961 0.934,962 0.934,963 0.934,964 4.83,965 1.374,966 5.68,967 3.694,968 4.29,969 4.977,970 2.575,971 6.515,972 4.224,973 6.088,974 0.944,975 7.261,976 3.383,977 4.007,978 4.987,979 2.361,980 7.459,981 3.921,982 7.427,983 0.404,984 8.938,985 2.313,986 5.911,987 7.3,988 4.161,989 10.562,990 5.792,991 8.801,992 -0.025,993 10.671,994 0.998,995 6.382,996 8.079,997 4.506,998 12.31,999 6.248,1000 10.202,1001 -0.454,1002 12.438,1003 -0.061,1004 7.813,1005 9.914,1006 5.948,1007 14.952,1008 7.652,1009 11.624,1010 -0.515,1011 14.231,1012 -1.148,1013 8.636,1014 11.063,1015 6.556,1016 17.057,1017 8.46,1018 13.062,1019 -0.672,1020 16.042,1021 -1.243,1022 9.881,1023 12.705,1024 7.794,1025 19.536,1026 9.683,1027 3.197,1028 -0.773,1029 17.867,1030 -2,1031 10.871,1032 14.04,1033 8.548,1034 21.802,1035 10.658,1036 2.868,1037 11.089,1038 19.705,1039 -2.049,1040 12.045,1041 15.602,1042 9.67,1043 24.223,1044 11.811,1045 2.539,1046 8.855,1047 21.552,1048 4.622,1049 13.114,1050 17.031,1051 10.509,1052 26.563,1053 12.864,1054 2.305,1055 8.03,1056 23.407,1057 3.888,1058 14.263,1059 18.562,1060 11.563,1061 28.967,1062 13.995,1063 2.013,1064 6.756,1065 25.27,1066 3.646,1067 15.371,1068 20.037,1069 12.452,1070 31.34,1071 15.086,1072 1.743,1073 5.657,1074 27.138,1075 3.082,1076 16.513,1077 21.56,1078 13.468,1079 33.74,1080 16.211,1081 1.458,1082 4.815,1083 29.012,1084 2.717,1085 17.641,1086 23.059,1087 14.386,1088 36.129,1089 17.322,1090 5009,1091 9350,1092 16.126,1093 24.989,1094 38.022,1095 39.411,1096 39.647,1097 37.695,1098 37.688,1099 53.168,1100 6.585,1101 111.178,1102 36.375,1103 5.423,1104 5.81,1105 6.3,1106 5.247,1107 5.197,1108 7.622,1109 4.612,1110 18.367,1111 5.139,1112 13.207,1113 1.521,1114 1.576,1115 1.586,1116 1.508,1117 1.508,1118 2.127,1119 0.263,1120 4.447,1121 1.455,1122 4.129,1123 4.154,1124 4.102,1125 4.043,1126 7.815,1127 4.051,1128 3.864,1129 3.919,1130 3.829,1131 3.708,1132 6.999,1133 3.729,1134 3.655,1135 3.685,1136 3.624,1137 3.438,1138 5.291,1139 3.454,1140 3.432,1141 3.479,1142 3.36,1143 3.133,1144 4.98,1145 3.196,1146 3.121,1147 3.216,1148 2.99,1149 2.875,1150 4.951,1151 2.88,1152 3.098,1153 3.2,1154 2.944,1155 2.812,1156 4.467,1157 2.853,1158 2.945,1159 3.055,1160 2.793,1161 2.632,1162 4.315,1163 2.66,1164 2.732,1165 2.828,1166 2.581,1167 2.535,1168 4.04,1169 2.541,1170 0.186,1171 0.152,1172 0.271,1173 0.167,1174 0.128,1175 4.656,1176 0.185,1177 3.81,1178 0.104,1179 6.773,1180 0.444,1181 4.178,1182 0.126,1183 3.197,1184 4.622,1185 2.612,1186 11.089,1187 3.139,1188 2.071,1189 2.05,1190 2.137,1191 2.183,1192 1.314,1193 2.162,1194 1.789,1195 1.745,1196 1.887,1197 1.977,1198 1.024,1199 1.948,1200 1.538,1201 1.497,1202 1.692,1203 1.815,1204 0.738,1205 1.746,1206 1.272,1207 1.227,1208 1.46,1209 1.589,1210 0.459,1211 1.556,1212 1.077,1213 0.988,1214 1.357,1215 1.381,1216 0.342,1217 1.395,1218 1.005,1219 0.927,1220 1.246,1221 1.357,1222 0.166,1223 1.35,1224 0.86,1225 0.746,1226 1.167,1227 1.211,1229 1.216,1230 0.71,1231 0.625,1232 1.041,1233 0.991,1235 1.017,1236 3.932,1238 5.273,1240 6.812,1242 8.448,1244 10.135,1246 1.887,1250 11.311,1252 0.372,1262 24.665,1263 63.334,1264 141.266,1265 169.24,1266 179.995,1267 179.995,1268 179.995,1269 42.816,1270 7.009,1271 136.53,1272 136.53,1273 18,1274 12.417,1275 4.322,1276 3.524,1277 36.66,1278 72,1279 76,1280 0.255,1281 154.887,1282 258.1,1283 369.684,1284 9253,1286 16.56,1287 0.72,1288 0.537,1289 16.56,1290 12.354,1291 10.952,1292 0.438,1293 0.274,1294 6.739,1295 10.431,1296 6.561,1297 5.467,1298 10.952,1299 6.849,1300 10.372,1301 0.288,1302 0.145,1303 10.372,1304 5.212,1305 8.34,1306 0.177,1307 0.077,1308 8.34,1309 3.611,1310 6.971,1311 0.112,1312 0.04,1313 6.971,1314 2.459,1315 5.89,1316 0.073,1317 0.021,1318 5.89,1319 1.739,1320 0.388,1321 69.507,1322 0.249,1323 22.114,1324 0.737,1325 122,1326 408.676,1327 135.948,1328 400.667,1329 538.18,1330 368,1331 144,1332 403.802,1333 157.341,1334 406.541,1335 586.01,1336 379,1337 5.244}
{0 CHEMBL58481,1 1.493,2 8.619,3 2.971,4 8.827,5 85.953,6 6.937,7 0.522,8 3.808,9 3.946,10 3.311,11 3.322,12 4.889,13 3.295,14 4.338,15 4.527,16 3.689,17 3.721,18 5.373,19 3.669,20 4.551,21 4.754,22 3.689,23 3.844,24 5.519,25 3.764,26 4.619,27 4.856,28 3.587,29 3.847,30 5.561,31 3.73,32 4.558,33 4.788,34 3.459,35 3.805,36 5.44,37 3.665,38 4.614,39 4.896,40 3.314,41 3.72,42 5.411,43 3.549,44 4.48,45 4.784,46 3.282,47 3.529,48 5.27,49 3.377,50 4.317,51 4.603,52 3.159,53 3.291,54 5.34,55 3.18,56 0.048,57 0.621,58 9.305,59 3.573,60 10.626,61 5.076,62 0.183,63 0.96,64 16.722,65 6.597,66 22.785,67 9.098,68 0.195,69 1.119,70 21.178,71 7.506,72 24.872,73 10.765,74 0.271,75 1.152,76 23.104,77 8.171,78 35.78,79 11.859,80 0.161,81 1.097,82 21.33,83 7.955,84 25.52,85 11.63,86 0.205,87 1.067,88 23.47,89 7.999,90 28.839,91 12.2,92 0.126,93 0.909,94 20.721,95 6.936,96 21.301,97 10.824,98 0.372,99 0.785,100 18.078,101 4.357,102 39.852,103 7.415,104 18,105 33,106 0.266,107 0.612,108 0.783,109 0.852,110 0.861,111 0.869,112 3.104,113 0.945,114 -4.26,115 -4.2,116 -3.97,119 39,120 2,121 3,127 1,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 9,169 1,170 6,172 3,173 3,175 1,178 11,180 1,182 5,187 1,189 12,191 1,193 4,195 1,196 1,197 1,198 2,200 2,201 11,204 2,205 1,207 5,212 3,215 8,218 3,221 5,226 3,229 3,231 3,234 4,239 4,241 1,243 4,245 2,246 2,248 1,249 1,251 3,256 3,260 2,265 3,270 3,273 530,274 13.989,275 13.989,276 13.989,277 13.989,278 13.989,279 12.435,280 21.06,281 8.062,282 14.294,283 11.303,284 11.303,285 11.303,286 11.303,287 11.303,288 8.891,289 27.554,290 3.785,291 11.813,292 3.864,293 1.923,294 0.964,295 0.573,296 0.525,297 0.476,298 3.78,300 1,301 1,302 1,303 387,304 2.449,306 45.586,307 115.375,310 80.556,314 1.197,315 17.084,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 45,327 181,328 4.464,329 3.441,330 6.574,331 4.108,332 3.137,333 4.131,334 0.86,335 10.496,336 3.049,337 4.232,338 3.091,339 6.089,340 3.824,341 2.866,342 3.877,343 0.68,344 8.851,345 2.751,346 3.64,347 2.645,348 5.343,349 3.335,350 2.374,351 2.959,353 6.902,354 2.277,355 3.444,356 2.457,357 5.26,358 3.16,359 2.189,360 2.697,362 6.49,363 2.129,364 3.355,365 2.198,366 4.926,367 2.949,368 2.002,369 2.63,371 5.676,372 1.88,373 2.93,374 2.017,375 4.728,376 2.7,377 1.735,378 1.991,380 4.985,381 1.665,382 2.816,383 1.568,384 4.147,385 2.346,386 1.412,387 1.93,389 3.667,390 1.316,391 2.029,392 1.433,393 3.846,394 1.88,395 0.944,396 0.996,398 2.522,399 0.874,400 1.612,401 0.635,402 3.034,403 1.367,404 0.4,405 0.467,407 0.864,408 0.385,409 1.432,410 0.391,411 2.865,412 1.19,413 0.231,414 0.267,415 0.435,416 0.221,417 0.916,418 -0.095,419 2.421,420 0.634,421 -0.345,422 -0.409,423 -0.891,424 -0.336,425 0.796,426 -0.314,427 2.359,428 0.396,429 -0.514,430 -0.621,431 -1.242,432 -0.466,433 0.65,434 -0.38,435 2.325,436 0.369,437 -0.593,438 -0.689,439 -1.514,440 -0.569,441 0.304,442 -0.668,443 2,444 0.117,445 -0.868,446 -0.99,448 -2.109,449 -0.848,450 0.281,451 -0.836,452 1.906,453 -0.041,454 -1,455 -1.237,457 -2.904,458 -0.957,459 9.933,460 0.473,461 0.609,462 0.029,463 27,464 1.286,465 13.5,466 0.643,467 13.5,468 0.643,469 17.121,470 0.815,471 23.067,472 0.563,473 17.165,474 0.817,475 4.954,476 0.236,477 5.109,478 0.243,479 0.181,481 0.403,485 1.031,486 1.222,487 0.888,488 1.053,489 1.254,490 0.959,491 0.772,492 0.9,493 0.76,494 0.989,495 0.488,496 0.902,497 1.333,498 1.126,499 1.069,500 1.091,501 0.96,502 1.064,503 1.064,504 0.928,505 1.088,506 1.045,507 0.926,508 1.073,509 0.898,510 1.199,511 1.179,512 1.281,513 0.863,514 1.277,515 0.785,516 1.022,517 1.014,518 1.071,519 0.852,520 1.073,521 0.486,522 1.092,523 0.659,524 0.967,525 0.531,526 0.858,527 1.172,528 0.978,529 1.063,530 0.863,531 1.38,532 0.921,533 5.5,534 0.049,535 2.222,536 1.882,537 1.378,538 0.65,539 0.466,540 0.305,541 0.233,542 0.108,543 4136,544 10000,545 2.045,546 48.8,547 7,548 3,550 1,551 4,553 5,555 1.633,556 1.881,557 3.088,558 1.874,559 1,560 1,562 1,564 61.221,565 1.493,566 3.434,567 4.394,568 4.784,569 4.833,570 4.882,571 2.475,572 4.107,573 4.366,574 3.197,575 671.433,576 7.486,577 7014.27,578 1,579 1,581 1,582 219.66,583 1.51,584 4.305,585 0.239,586 0.012,587 0.067,588 0.059,589 0.049,590 0.027,591 0.023,592 0.015,593 0.015,594 0.012,595 0.519,596 0.33,597 1,598 0.874,599 93.937,600 -0.107,601 0.028,602 0.03,603 0.053,604 -0.223,605 0.066,606 0.228,607 0.201,608 0.187,609 0.087,610 0.3,611 0.12,612 -0.172,613 -0.075,614 -0.104,615 -0.049,616 -0.101,617 -0.068,618 -0.076,619 0.081,620 -0.127,621 -0.03,622 -0.008,623 -0.081,624 -0.12,625 -0.187,626 -0.249,627 -0.234,628 -0.082,629 -0.259,630 -0.043,631 -0.104,632 -0.059,633 -0.083,634 -0.058,635 -0.075,636 0.177,637 -0.236,638 0.305,639 0.011,640 0.196,641 0.149,642 0.158,643 -0.003,644 -0.023,645 -0.016,646 -0.01,647 -0.035,648 1.457,649 2.408,650 0.714,651 14.44,652 0.995,653 1.135,654 3.03,655 9.18,656 0.648,657 3.178,658 3.526,659 3.784,660 4.078,661 4.277,662 4.304,663 4.394,664 4.489,665 4.5,666 4.477,667 5.101,668 0.61,669 284.4,670 3.178,671 4.727,672 5.58,673 6.472,674 7.344,675 8.238,676 9.118,677 10.012,678 10.895,679 11.789,680 9.8,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,718 41,719 12,720 1,721 23,723 43,724 16,725 10,726 4,727 2,729 3,730 4,734 2,736 2,739 4,741 10,742 6,753 1,754 1,757 20,758 5,759 4,760 5,764 4,769 0.667,770 1,776 1,780 1,781 2,784 1,802 2,806 2,810 21,811 2,816 3,818 1,820 1,829 2.4,834 1,836 11.167,837 7.817,838 4.583,839 2.585,840 2.284,841 1.335,842 0.993,843 3.724,844 9.101,845 3.401,846 4.025,847 4.57,848 5.136,849 5.648,850 5.809,851 6.068,852 6.436,853 6.703,854 6.968,855 0.833,856 32,857 7.733,859 3.249,860 7.643,861 14.962,863 12.367,865 2.143,866 45,867 0.001,869 1,870 188.338,871 75.467,872 99.365,874 11,877 75.467,878 199.338,879 99.365,880 17.65,881 7.604,882 84.747,883 45.342,884 38.033,885 4.227,886 176.567,888 188.338,889 174.832,890 11,893 129.482,894 69.855,897 36.201,898 105.061,899 33.571,901 188.338,902 110.365,903 75.467,906 188.338,907 29.816,908 45.65,910 110.365,911 188.338,912 110.365,913 75.467,915 0.588,916 0.344,917 0.192,918 0.106,919 17,920 8,921 0.07,922 3,923 1,924 1.133,925 3.279,926 163.295,927 0.133,928 15,929 92.239,933 14.146,934 5.528,935 2.812,937 110.365,938 6.093,939 8.042,943 6.373,945 65.794,946 374.17,947 29,956 40.803,957 46.524,958 0.279,959 0.641,960 0.82,961 0.893,962 0.902,963 0.911,964 4.654,965 0.944,966 5.587,967 3.667,968 4.205,969 4.71,970 1.225,971 6.409,972 4.124,973 5.874,974 0.4,975 7.154,976 2.522,977 3.892,978 4.62,980 7.286,981 3.78,982 7.192,983 0.231,984 8.812,985 0.864,986 5.814,987 6.906,988 0.925,989 10.377,990 5.667,991 8.542,992 -0.345,993 10.522,994 0.435,995 6.256,996 7.558,998 12.051,999 6.077,1000 9.919,1001 -0.514,1002 12.264,1003 -0.891,1004 7.692,1005 9.378,1006 0.697,1007 14.667,1008 7.485,1009 11.315,1010 -0.593,1011 14.03,1012 -1.242,1013 8.491,1014 10.385,1016 16.704,1017 8.252,1018 12.728,1019 -0.868,1020 15.814,1021 -1.514,1022 9.734,1023 12,1024 0.525,1025 19.145,1026 9.469,1027 3.137,1028 -1,1029 17.612,1030 -2.109,1031 10.706,1032 13.191,1034 21.349,1035 10.409,1036 2.866,1037 10.496,1038 19.422,1039 -2.904,1040 11.871,1041 14.705,1042 0.395,1043 23.723,1044 11.548,1045 2.374,1046 8.851,1047 21.243,1048 4.131,1049 12.924,1050 15.993,1052 26.002,1053 12.571,1054 2.189,1055 6.902,1056 23.072,1057 3.877,1058 14.061,1059 17.455,1060 0.298,1061 28.352,1062 13.681,1063 2.002,1064 6.49,1065 24.908,1066 2.959,1067 15.152,1068 18.795,1070 30.665,1071 14.743,1072 1.735,1073 5.676,1074 26.749,1075 2.697,1076 16.28,1077 20.23,1078 0.224,1079 33.01,1080 15.844,1081 1.412,1082 4.985,1083 28.596,1084 2.63,1085 17.39,1086 21.599,1088 35.339,1089 16.926,1090 4078,1091 6444,1092 15.027,1093 26.569,1094 34.688,1095 35.196,1096 36.242,1097 34.587,1098 34.581,1099 43.891,1100 3.08,1101 101.776,1102 33.092,1103 5.307,1104 5.441,1105 6.096,1106 5.177,1107 5.137,1108 7.131,1109 1.72,1110 17.459,1111 5.049,1112 11.291,1113 1.508,1114 1.53,1115 1.576,1116 1.504,1117 1.504,1118 1.908,1119 0.134,1120 4.425,1121 1.439,1122 4.046,1123 4.069,1124 3.994,1125 3.972,1126 5.291,1127 3.974,1128 3.847,1129 3.898,1130 3.808,1131 3.686,1132 4.979,1133 3.709,1134 3.55,1135 3.611,1136 3.408,1137 3.41,1138 4.852,1139 3.4,1140 3.397,1141 3.473,1142 3.231,1143 3.245,1144 4.459,1145 3.233,1146 3.141,1147 3.242,1148 2.989,1149 2.928,1150 4.297,1151 2.929,1152 2.996,1153 3.114,1154 2.818,1155 2.735,1156 4.018,1157 2.731,1158 2.886,1159 2.99,1160 2.683,1161 2.639,1162 3.746,1163 2.649,1164 2.783,1165 2.871,1166 2.61,1167 2.553,1168 3.695,1169 2.566,1170 0.194,1171 0.15,1172 0.286,1173 0.179,1174 0.136,1175 4.464,1176 0.18,1177 3.441,1178 0.037,1179 6.574,1180 0.456,1181 4.108,1182 0.133,1183 3.137,1184 4.131,1185 0.86,1186 10.496,1187 3.049,1188 1.961,1189 1.939,1190 2.065,1191 2.05,1192 1.309,1193 2.052,1194 1.75,1195 1.705,1196 1.861,1197 1.926,1198 1.1,1199 1.91,1200 1.58,1201 1.524,1202 1.845,1203 1.775,1204 1.026,1205 1.799,1206 1.408,1207 1.333,1208 1.688,1209 1.616,1210 0.776,1211 1.651,1212 1.15,1213 1.085,1214 1.405,1215 1.416,1216 0.502,1217 1.414,1218 0.947,1219 0.85,1220 1.29,1221 1.298,1222 0.347,1223 1.302,1224 0.87,1225 0.76,1226 1.218,1227 1.167,1228 0.145,1229 1.208,1230 0.749,1231 0.658,1232 1.082,1233 1.059,1235 1.072,1236 3.85,1238 5.187,1239 2.398,1240 6.711,1241 4.727,1242 8.324,1243 6.823,1244 9.987,1246 4.247,1250 11.456,1252 2.626,1254 5.908,1256 0.255,1262 25.015,1263 61.221,1264 140.799,1265 180.15,1266 196.15,1267 198.15,1268 200.15,1269 28.546,1270 6.817,1271 87.05,1272 87.05,1273 17,1274 12.317,1275 3.7,1276 2.807,1277 32.148,1278 64,1279 64,1280 0.252,1281 155.677,1282 263.43,1283 371.611,1284 7221,1286 14.983,1287 0.713,1288 0.59,1289 14.983,1290 12.388,1291 10.063,1292 0.438,1293 0.315,1294 7.166,1295 9.73,1296 6.924,1297 5.772,1298 10.063,1299 7.246,1300 9.398,1301 0.285,1302 0.168,1303 9.398,1304 5.545,1305 7.632,1306 0.177,1307 0.089,1308 7.632,1309 3.821,1310 6.589,1311 0.114,1312 0.049,1313 6.589,1314 2.837,1315 5.247,1316 0.074,1317 0.028,1318 5.247,1319 1.973,1320 0.385,1321 62.634,1322 0.258,1323 20.546,1324 0.716,1325 112,1326 287.65,1327 122.258,1328 283.738,1329 397.31,1330 266,1331 132,1332 305.335,1333 141.648,1334 310.248,1335 453.82,1336 292,1337 4.959}
{0 CHEMBL58550,1 1.446,2 8.826,3 3.983,4 15.863,5 97.114,6 6.648,7 0.5,8 3.908,9 4.053,10 3.358,11 3.409,12 5.02,13 3.369,14 4.407,15 4.61,16 3.659,17 3.765,18 5.423,19 3.691,20 4.597,21 4.807,22 3.766,23 3.925,24 5.559,25 3.838,26 4.759,27 4.991,28 3.76,29 3.996,30 5.718,31 3.888,32 4.772,33 4.987,34 3.711,35 4.046,36 5.706,37 3.91,38 4.926,39 5.213,40 3.607,41 4.019,42 5.726,43 3.851,44 4.77,45 5.043,46 3.505,47 3.903,48 5.612,49 3.723,50 4.784,51 5.113,52 3.391,53 3.71,54 5.668,55 3.533,56 0.059,57 0.679,58 10.869,59 4.121,60 13.343,61 5.983,62 0.231,63 1.009,64 18.56,65 7.14,66 25.956,67 10.047,68 0.131,69 1.203,70 22.272,71 8.239,72 22.32,73 12.14,74 0.32,75 1.313,76 26.924,77 9.493,78 40.392,79 13.752,80 0.178,81 1.368,82 26.643,83 10.215,84 32.706,85 14.811,86 0.33,87 1.405,88 32.136,89 11.043,90 41.258,91 16.59,92 0.131,93 1.266,94 26.783,95 9.936,96 30.226,97 15.031,98 0.457,99 1.154,100 28.594,101 8.128,102 53.975,103 13.354,104 39,105 32,106 0.25,107 0.619,108 0.83,109 0.867,110 0.874,111 0.874,112 3.188,113 0.969,114 -4.66,115 -4.58,116 -4.31,119 38.3,120 1,121 4,124 1,133 1,134 1,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 12,169 1,170 4,172 3,173 3,175 1,178 13,180 1,182 6,187 1,189 14,191 1,193 5,195 1,196 1,197 1,198 2,200 2,201 13,204 2,205 1,207 7,212 3,215 12,218 3,221 5,226 3,229 9,231 3,234 4,239 4,241 4,243 4,245 2,246 4,248 1,249 1,251 4,254 1,256 4,260 4,265 4,270 4,273 730,274 15.541,275 15.541,276 15.541,277 15.541,278 15.541,279 13.858,280 22.813,281 9.389,282 15.886,283 11.718,284 11.718,285 11.718,286 11.718,287 11.718,288 9.091,289 30.043,290 4.198,291 12.184,292 4.108,293 1.975,294 0.756,295 0.543,296 0.5,297 0.5,298 3.849,300 1,301 1,302 1,303 409,304 3.082,307 161.248,314 1.255,315 17.944,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 49,327 203,328 4.433,329 3.349,330 6.53,331 4.058,332 3.078,333 4.116,334 0.86,335 10.309,336 3.016,337 4.229,338 3.073,339 6.088,340 3.815,341 2.856,342 3.875,343 0.68,344 8.843,345 2.742,346 3.601,347 2.537,348 5.281,349 3.236,350 2.28,351 2.935,352 0.68,353 6.716,354 2.18,355 3.397,356 2.462,357 5.223,358 3.115,359 2.115,360 2.663,362 6.311,363 2.115,364 3.362,365 2.18,366 4.921,367 2.94,368 1.999,369 2.64,371 5.65,372 1.87,373 2.823,374 1.917,375 4.149,376 2.359,377 1.427,378 1.952,380 3.675,381 1.325,382 2.689,383 1.555,384 3.874,385 2.319,386 1.359,387 1.591,389 2.866,390 1.299,391 2.269,392 1.262,393 3.153,394 2,395 1,396 1.208,398 1.714,399 1,400 1.93,401 1.03,402 3.104,403 1.693,404 0.778,405 0.865,407 1.357,408 0.704,409 1.569,410 0.626,411 2.774,412 1.267,413 0.332,414 0.395,415 0.715,416 0.309,417 1.161,418 0.292,419 2.567,420 0.746,421 -0.186,422 -0.212,423 -0.279,424 -0.169,425 1,426 -0.081,427 2.359,428 0.736,429 -0.254,430 -0.328,431 -0.478,432 -0.254,433 0.813,434 -0.178,435 2.322,436 0.532,437 -0.446,438 -0.543,439 -0.944,440 -0.435,441 0.778,442 -0.314,443 2,444 0.392,445 -0.515,446 -0.621,448 -1.242,449 -0.467,450 0.413,451 -0.647,452 1.69,453 0.048,454 -0.916,455 -1.094,457 -2.047,458 -0.875,459 10.933,460 0.475,461 0.503,462 0.022,463 28.5,464 1.239,465 14.5,466 0.63,467 14,468 0.609,469 19.268,470 0.838,471 25.667,472 0.546,473 20.484,474 0.891,475 5.629,476 0.245,477 5.454,478 0.237,479 0.21,481 0.32,485 1.046,486 1.277,487 0.953,488 1.125,489 1.266,490 1.036,491 0.884,492 0.88,493 0.853,494 0.953,495 0.607,496 0.923,497 0.886,498 1.198,499 0.944,500 1.149,501 0.793,502 1.065,503 1.313,504 0.895,505 1.063,506 0.979,507 0.953,508 1.002,509 0.985,510 1.282,511 1.219,512 1.375,513 0.864,514 1.341,515 1.073,516 0.871,517 0.966,518 0.906,519 0.859,520 0.932,521 0.473,522 1.307,523 0.959,524 1.3,525 0.725,526 1.209,527 0.801,528 0.764,529 0.803,530 0.715,531 0.936,532 0.744,533 5,534 0.087,535 2.444,536 1.813,537 1.538,538 0.757,539 0.628,540 0.358,541 0.238,542 0.153,543 4764,544 11873,545 1.946,546 51.1,547 11,548 8,550 1,551 4,555 1.663,556 1.792,557 3.127,558 1.779,560 1,564 67.968,565 1.446,566 3.58,567 4.799,568 5.012,569 5.054,570 5.054,571 2.512,572 3.882,573 4.493,574 3.272,575 827.828,576 7.77,577 9447.83,579 1,581 1,582 261.066,583 1.51,584 4.433,585 0.208,586 0.014,587 0.076,588 0.052,589 0.045,590 0.024,591 0.022,592 0.015,593 0.011,594 0.01,595 0.479,597 1,598 1.365,599 106.719,600 -0.087,601 -0.008,602 0.016,603 0.013,604 -0.198,605 0.03,606 0.174,607 0.225,608 0.126,609 0.126,610 0.202,611 0.112,612 -0.013,613 -0.1,614 0.016,615 -0.073,616 -0.017,617 -0.028,618 -0.098,619 0.134,620 -0.071,621 0.047,622 -0.006,623 -0.004,624 -0.112,625 -0.225,626 -0.27,627 -0.294,628 -0.076,629 -0.301,630 -0.095,631 0.032,632 0.006,633 0.078,634 -0.04,635 0.054,636 0.096,637 -0.366,638 -0.031,639 -0.269,640 0.01,641 -0.183,642 0.216,643 0.105,644 0.195,645 0.164,646 0.132,647 0.177,648 1.472,649 2.113,650 0.522,651 18.858,652 0.991,653 1.135,654 3.431,655 11.771,656 0.64,657 3.219,658 3.497,659 3.738,660 3.989,661 4.174,662 4.19,663 4.19,664 4.277,665 4.263,666 4.159,667 5.442,668 0.597,669 312.46,670 3.219,671 4.727,672 5.557,673 6.425,674 7.279,675 8.154,676 9.016,677 9.893,678 10.758,679 11.636,680 8.5,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,718 47,719 13,720 1,721 24,723 48,724 18,725 10,726 4,727 2,729 2,730 2,734 1,739 4,741 12,742 6,744 1,745 1,749 1,754 1,757 24,758 5,759 4,760 5,764 4,769 1,770 1,776 1,781 2,794 1,795 1,802 2,806 2,810 23,811 2,816 4,818 1,829 2.1,834 1,836 12.833,837 8.817,838 5.417,839 2.779,840 2.319,841 1.355,842 0.952,843 5.996,844 8.859,845 3.466,846 4.025,847 4.559,848 5.112,849 5.621,850 5.782,851 5.975,852 6.357,853 6.63,854 6.875,855 0.833,856 35,857 8.436,859 3.363,860 7.681,861 16.197,863 12.615,865 2.181,866 50.167,869 1,870 235.422,871 105.302,872 99.365,874 11,877 105.302,878 246.422,879 99.365,880 19.708,881 25.905,882 94.223,883 45.342,884 38.033,885 4.227,886 223.651,888 235.422,889 204.668,890 11,893 235.422,894 11,897 29.91,898 131.71,899 43.047,901 235.422,902 110.365,903 105.302,906 235.422,907 32.351,908 57.184,910 126.132,911 235.422,912 110.365,913 105.302,915 0.557,916 0.333,917 0.195,918 0.109,919 13,920 7,921 0.146,922 7,924 1,925 3.368,926 174.494,928 12,929 104.042,933 17.291,934 7.976,935 4.23,937 110.365,938 5.995,939 8.058,943 5.952,945 65.794,946 451.09,947 31,948 3.835,952 1.887,956 46.571,957 53.355,958 0.26,959 0.644,960 0.864,961 0.902,962 0.91,963 0.91,964 4.673,965 1,966 5.533,967 2.866,968 4.174,969 4.71,970 1.465,971 6.33,972 4.104,973 5.871,974 0.778,975 7.084,976 1.714,977 3.761,978 4.559,980 7.209,981 3.664,982 7.172,983 0.332,984 8.735,985 1.357,986 5.746,987 6.894,988 1.082,989 10.292,990 5.622,991 8.511,992 -0.186,993 10.443,994 0.715,995 6.133,996 7.524,998 11.971,999 5.98,1000 9.881,1001 -0.254,1002 12.187,1003 -0.279,1004 7.596,1005 9.361,1006 0.791,1007 14.572,1008 7.423,1009 11.272,1010 -0.446,1011 13.955,1012 -0.478,1013 8.363,1014 10.358,1016 16.599,1017 8.16,1018 12.68,1019 -0.515,1020 15.741,1021 -0.944,1022 9.611,1023 11.979,1024 0.577,1025 19.025,1026 9.391,1027 3.078,1028 -0.916,1029 17.541,1030 -1.242,1031 10.559,1032 13.163,1034 21.211,1035 10.311,1036 2.856,1037 10.309,1038 19.352,1039 -2.047,1040 11.719,1041 14.679,1042 0.423,1043 23.57,1044 11.453,1045 2.28,1046 8.843,1047 21.172,1048 4.116,1049 12.752,1050 15.962,1052 25.828,1053 12.461,1054 2.115,1055 6.716,1056 22.999,1057 3.875,1058 13.877,1059 17.423,1060 0.312,1061 28.163,1062 13.567,1063 1.999,1064 6.311,1065 24.832,1066 2.935,1067 14.95,1068 18.759,1070 30.455,1071 14.617,1072 1.427,1073 5.65,1074 26.67,1075 2.663,1076 16.062,1077 20.192,1078 0.231,1079 32.781,1080 15.71,1081 1.359,1082 3.675,1083 28.513,1084 2.64,1085 17.154,1086 21.556,1088 35.09,1089 16.781,1090 4957,1091 7938,1092 15.315,1093 30.091,1094 34.768,1095 35.141,1096 36.863,1097 34.434,1098 34.449,1099 44.48,1100 4.44,1101 96.313,1102 33.122,1103 5.213,1104 5.349,1105 6.296,1106 5.127,1107 5.078,1108 7.116,1109 1.72,1110 17.254,1111 5.016,1112 13.595,1113 1.449,1114 1.464,1115 1.536,1116 1.435,1117 1.435,1118 1.853,1119 0.185,1120 4.013,1121 1.38,1122 4.021,1123 4.049,1124 3.969,1125 3.954,1126 5.291,1127 3.953,1128 3.833,1129 3.884,1130 3.794,1131 3.678,1132 4.979,1133 3.7,1134 3.581,1135 3.649,1136 3.416,1137 3.465,1138 4.848,1139 3.445,1140 3.466,1141 3.532,1142 3.306,1143 3.336,1144 4.67,1145 3.32,1146 3.295,1147 3.357,1148 3.145,1149 3.048,1150 4.463,1151 3.063,1152 3.127,1153 3.23,1154 2.962,1155 2.865,1156 4.339,1157 2.869,1158 2.988,1159 3.107,1160 2.802,1161 2.814,1162 4.088,1163 2.791,1164 2.949,1165 3.037,1166 2.757,1167 2.676,1168 3.748,1169 2.691,1170 0.185,1171 0.14,1172 0.272,1173 0.169,1174 0.128,1175 4.433,1176 0.171,1177 3.349,1178 0.036,1179 6.53,1180 0.43,1181 4.058,1182 0.126,1183 3.078,1184 4.116,1185 0.86,1186 10.309,1187 3.016,1188 1.985,1189 1.964,1190 2.091,1191 2.074,1192 1.335,1193 2.078,1194 1.765,1195 1.72,1196 1.9,1197 1.951,1198 1.123,1199 1.93,1200 1.611,1201 1.548,1202 1.856,1203 1.776,1204 0.986,1205 1.815,1206 1.476,1207 1.413,1208 1.705,1209 1.646,1210 0.73,1211 1.675,1212 1.232,1213 1.167,1214 1.573,1215 1.537,1216 0.573,1217 1.548,1218 1.088,1219 0.996,1220 1.4,1221 1.392,1222 0.497,1223 1.394,1224 0.992,1225 0.913,1226 1.324,1227 1.28,1228 0.307,1229 1.298,1230 0.902,1231 0.789,1232 1.236,1233 1.199,1234 0.142,1235 1.242,1236 3.892,1238 5.176,1240 6.668,1242 8.266,1244 9.918,1246 3.873,1250 11.503,1252 3.452,1254 5.613,1262 28.068,1263 67.968,1264 168.253,1265 225.556,1266 235.556,1267 237.556,1268 237.556,1269 40.18,1270 6.54,1271 87.05,1272 87.05,1273 12,1274 12.176,1275 3.807,1276 3,1277 44.986,1278 74,1279 76,1280 0.303,1281 179.327,1282 307.75,1283 429.319,1284 4836,1286 16.82,1287 0.731,1288 0.6,1289 16.82,1290 13.802,1291 11.083,1292 0.462,1293 0.323,1294 7.658,1295 10.727,1296 7.373,1297 6.253,1298 11.083,1299 7.75,1300 9.398,1301 0.294,1302 0.172,1303 9.398,1304 5.506,1305 7.519,1306 0.183,1307 0.09,1308 7.519,1309 3.702,1310 6.458,1311 0.122,1312 0.052,1313 6.458,1314 2.743,1315 4.955,1316 0.077,1317 0.028,1318 4.955,1319 1.8,1320 0.463,1321 69.055,1322 0.256,1323 22.296,1324 0.867,1325 112,1326 295.65,1327 120.929,1328 293.34,1329 402.98,1330 274,1331 129,1332 298.517,1333 137.651,1334 308.626,1335 444.64,1336 287,1337 4.824}
{0 CHEMBL58597,1 1.681,2 10.75,3 1.385,4 1.919,5 106.648,6 7.926,7 0.548,8 4.01,9 4.127,10 3.626,11 3.455,12 5.217,13 3.486,14 4.506,15 4.673,16 3.988,17 3.826,18 5.661,19 3.85,20 4.623,21 4.756,22 4.147,23 4.022,24 5.788,25 4.032,26 4.803,27 4.969,28 4.164,29 4.103,30 5.986,31 4.071,32 4.937,33 5.146,34 3.996,35 4.071,36 5.978,37 4.013,38 4.846,39 5.076,40 3.761,41 3.93,42 5.834,43 3.845,44 4.728,45 4.999,46 3.61,47 3.794,48 5.596,49 3.686,50 4.56,51 4.821,52 3.546,53 3.651,54 5.525,55 3.554,56 0.122,57 0.75,58 9.185,59 3.724,60 13.032,61 4.694,62 0.496,63 1.121,64 18.467,65 6.244,66 35.325,67 7.78,68 0.458,69 1.347,70 18.184,71 6.944,72 22.852,73 8.943,74 0.558,75 1.512,76 23.139,77 9.211,78 39.676,79 12.101,80 0.733,81 1.524,82 30.622,83 9.477,84 56.595,85 12.865,86 0.727,87 1.341,88 28.942,89 8.779,90 53.005,91 11.949,92 0.497,93 1.138,94 27.625,95 8.746,96 40.25,97 12.831,98 0.453,99 0.985,100 22.756,101 7.474,102 38.345,103 10.959,104 35,105 45,106 0.284,107 0.66,108 0.753,109 0.777,110 0.787,111 0.816,112 3.375,113 0.823,114 -2.8,115 -2.81,116 -2.73,119 39.6,124 3,125 1,134 1,136 1,139 2,140 3,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 10,172 3,173 3,175 1,178 4,180 1,181 2,182 6,187 1,191 1,192 5,193 8,195 3,196 3,197 1,198 3,200 2,201 4,204 3,205 1,206 1,212 1,215 2,218 1,220 2,221 6,223 1,224 1,226 2,229 2,231 2,234 4,245 2,246 7,248 1,249 1,251 2,256 2,259 1,260 1,273 1082,274 19.143,275 19.143,276 19.143,277 19.143,278 19.143,279 16.956,280 28.284,281 10.869,282 19.988,283 15.101,284 15.101,285 15.101,286 15.101,287 15.101,288 11.505,289 39.735,290 4.857,291 16.192,292 3.904,293 1.681,294 1.126,295 0.985,296 0.928,297 0.756,298 4.071,300 1,301 1,302 1,303 649,304 2.915,307 257.696,311 195.863,314 1.714,315 26.434,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 62,327 301,328 4.681,329 3.419,330 6.891,331 4.227,332 3.253,333 4.636,334 0.916,335 11.527,336 3.172,337 4.444,338 3.31,339 6.555,340 4.039,341 3.094,342 4.122,343 0.86,344 10.388,345 2.917,346 4.027,347 3.018,348 6.126,349 3.673,350 2.737,351 3.5,352 0.86,353 8.979,354 2.561,355 3.743,356 2.59,357 5.797,358 3.373,359 2.431,360 3.07,361 0.86,362 7.862,363 2.285,364 3.463,365 2.555,366 5.19,367 2.978,368 2.061,369 2.874,370 0.172,371 6.118,372 1.907,373 3.375,374 2.183,375 5.102,376 2.972,377 2.043,378 2.697,380 5.935,381 1.867,382 3.355,383 2.056,384 5.01,385 2.903,386 1.976,387 2.604,389 5.799,390 1.824,391 3.007,392 1.991,393 4.489,394 2.502,395 1.538,396 2.107,398 4.226,399 1.48,400 2.694,401 1.65,402 4.373,403 2.371,404 1.437,405 1.735,407 4.095,408 1.337,409 2.291,410 1.523,411 3.702,412 1.911,413 1.072,414 1.179,415 2.217,416 0.893,417 2.098,418 0.983,419 3.45,420 1.713,421 0.768,422 1.02,423 1.887,424 0.723,425 1.576,426 0.916,427 2.904,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.46,434 0.878,435 2.859,436 1.159,437 0.318,438 0.34,439 0.414,440 0.265,441 1.379,442 0.239,443 2.705,444 0.984,445 0.055,446 0.072,448 0.137,449 0.051,450 1.069,451 0.084,452 2.658,453 0.593,454 -0.35,455 -0.436,457 -0.735,458 -0.326,459 12.9,460 0.461,461 0.708,462 0.025,463 40.25,464 1.438,465 20.5,466 0.732,467 19.75,468 0.705,469 20.712,470 0.74,471 30.3,472 0.631,473 31.701,474 1.132,475 8.279,476 0.296,477 5.27,478 0.188,479 0.178,481 0.419,485 1.016,486 1.434,487 0.75,488 1.15,489 1.143,490 0.921,491 1.292,492 0.754,493 0.748,494 0.626,495 0.825,496 0.592,497 0.903,498 1.283,499 0.861,500 1.065,501 0.823,502 0.961,503 0.663,504 1.176,505 0.951,506 1.296,507 0.615,508 1.215,509 1.331,510 1.103,511 1.212,512 1.079,513 1.246,514 1.122,515 1.312,516 0.865,517 1.306,518 1.037,519 1.235,520 1.152,521 0.821,522 0.863,523 0.856,524 0.921,525 0.694,526 0.904,527 0.638,528 0.913,529 0.789,530 0.983,531 0.686,532 0.941,533 6,534 0.206,535 3.556,536 2.563,537 2.627,538 1.042,539 0.664,540 0.436,541 0.282,542 0.294,543 9171,544 27368,545 2.072,546 41.7,548 14,549 1,550 1,551 4,555 1.711,556 1.909,557 3.369,558 1.733,559 1,560 1,564 80.664,565 1.681,566 3.904,567 4.459,568 4.6,569 4.657,570 4.829,571 2.914,572 4.379,573 4.78,574 3.519,575 1330.33,576 8.314,577 16952.2,579 1,582 268.078,583 1.497,584 4.723,585 0.194,586 0.01,587 0.079,588 0.049,589 0.053,590 0.025,591 0.021,592 0.016,593 0.011,594 0.013,595 0.47,596 0.17,597 1,598 0.961,599 138.934,600 -0.134,601 -0.221,602 0.047,603 -0.103,604 -0.225,605 0.002,606 -0.118,607 0.325,608 0.179,609 0.371,610 0.082,611 0.335,612 0.027,613 -0.11,614 -0.033,615 -0.029,616 -0.038,617 -0.032,618 0.205,619 -0.081,620 -0.081,621 -0.262,622 0.218,623 -0.249,624 -0.238,625 -0.132,626 -0.233,627 -0.099,628 -0.247,629 -0.158,630 -0.237,631 0.086,632 -0.304,633 -0.074,634 -0.285,635 -0.184,636 -0.003,637 -0.014,638 0.181,639 0.095,640 0.084,641 0.167,642 0.169,643 -0.043,644 0.231,645 0.037,646 0.186,647 0.124,648 1.559,649 2.069,650 0.714,651 24.878,652 1.016,653 1.136,654 1.572,655 2.47,656 0.661,657 3.466,658 3.829,659 4.174,660 4.5,661 4.771,662 4.89,663 5.063,664 5.215,665 5.403,666 5.513,667 6.241,668 0.645,669 380.45,670 3.466,671 5.03,672 5.916,673 6.828,674 7.729,675 8.644,676 9.55,677 10.466,678 11.374,679 12.29,680 12.5,684 2,686 1,690 3,694 2,695 3,696 3,700 8,702 17,711 2,714 1,716 3,718 48,719 18,720 1,721 31,723 51,724 19,725 13,726 4,727 2,728 2,729 4,730 7,741 15,742 4,744 1,749 2,753 1,754 1,757 20,758 9,759 4,760 9,764 6,769 0.5,770 3,775 1,776 1,781 4,785 2,795 1,802 2,806 3,810 28,811 2,816 1,818 3,821 1,829 6.3,834 3,836 14.667,837 9.633,838 6.278,839 2.436,840 3.905,841 1.489,842 0.999,843 4.869,844 11.894,845 3.726,846 4.394,847 5.069,848 5.724,849 6.332,850 6.694,851 7.126,852 7.554,853 8.031,854 8.36,855 1,856 52,857 10.246,859 4.314,860 7.774,861 19.262,863 15.439,865 2.274,866 63.667,870 188.338,871 114.652,872 119.275,874 33,877 114.652,878 221.337,879 119.275,880 32.649,881 11.153,882 94.223,883 62.128,884 74.318,885 15.998,886 164.795,888 188.338,889 233.927,890 33,893 190.053,894 33,897 13.052,898 159.327,899 59.833,901 188.338,902 152.275,903 114.652,906 188.338,907 35.479,908 82.297,910 149.151,911 188.338,912 152.275,913 114.652,915 0.583,916 0.369,917 0.216,918 0.118,919 23,920 11,921 0.078,922 4,923 2,924 1.2,925 3.797,926 256.847,927 0.2,928 20,929 126.606,933 18.59,934 7.334,935 3.201,936 1.183,937 152.275,938 5.56,939 12.627,943 4.953,945 65.794,946 455.265,947 40.5,952 3.917,956 48.778,957 54.524,958 0.301,959 0.699,960 0.798,961 0.824,962 0.834,963 0.865,964 4.985,965 1.538,966 5.927,967 5.799,968 4.511,969 5.081,970 1.938,971 6.806,972 4.388,973 6.225,974 1.437,975 7.529,976 4.226,977 4.205,978 5.047,979 0.325,980 7.828,981 4.048,982 7.565,983 1.072,984 9.228,985 4.095,986 6.172,987 7.39,988 1.656,989 10.955,990 5.959,991 8.942,992 0.768,993 10.982,994 2.217,995 6.661,996 8.159,997 0.393,998 12.778,999 6.417,1000 10.35,1001 0.396,1002 12.772,1003 1.887,1004 8.116,1005 10.002,1006 1.418,1007 15.435,1008 7.833,1009 11.779,1010 0.318,1011 14.586,1012 0.603,1013 8.971,1014 11.157,1015 0.384,1016 17.598,1017 8.657,1018 13.226,1019 0.055,1020 16.418,1021 0.414,1022 10.232,1023 12.801,1024 1.207,1025 20.095,1026 9.886,1027 3.253,1028 -0.35,1029 18.264,1030 0.137,1031 11.254,1032 14.145,1033 0.351,1034 22.403,1035 10.879,1036 3.094,1037 11.527,1038 20.121,1039 -0.735,1040 12.443,1041 15.708,1042 1.019,1043 24.845,1044 12.039,1045 2.737,1046 10.388,1047 21.987,1048 4.636,1049 13.539,1050 17.143,1051 0.312,1052 27.216,1053 13.107,1054 2.431,1055 8.979,1056 23.861,1057 4.122,1058 14.704,1059 18.676,1060 0.852,1061 29.642,1062 14.245,1063 2.061,1064 7.862,1065 25.741,1066 3.5,1067 15.834,1068 20.155,1069 0.273,1070 32.043,1071 15.348,1072 2.043,1073 6.118,1074 27.625,1075 3.07,1076 16.992,1077 21.677,1078 0.706,1079 34.466,1080 16.48,1081 1.976,1082 5.935,1083 29.515,1084 2.874,1085 18.138,1086 23.177,1087 0.236,1088 36.882,1089 17.6,1090 8855,1091 15417,1092 20.403,1093 31.728,1094 46.606,1095 47.568,1096 49.499,1097 46.225,1098 46.359,1099 60.816,1100 7.338,1101 140.374,1102 43.253,1103 5.538,1104 5.419,1105 6.433,1106 5.302,1107 5.253,1108 7.636,1109 1.776,1110 18.812,1111 5.172,1112 15.527,1113 1.503,1114 1.534,1115 1.597,1116 1.491,1117 1.495,1118 1.962,1119 0.237,1120 4.528,1121 1.395,1122 4.104,1123 4.14,1124 4.08,1125 3.997,1126 5.323,1127 4.013,1128 3.923,1129 3.939,1130 3.894,1131 3.813,1132 4.986,1133 3.829,1134 3.628,1135 3.682,1136 3.573,1137 3.441,1138 4.975,1139 3.468,1140 3.303,1141 3.365,1142 3.219,1143 3.09,1144 4.82,1145 3.108,1146 3.298,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.221,1153 3.294,1154 3.065,1155 2.976,1156 4.482,1157 2.986,1158 3.169,1159 3.252,1160 2.982,1161 2.893,1162 4.423,1163 2.893,1164 3.087,1165 3.198,1166 2.916,1167 2.808,1168 4.141,1169 2.825,1170 0.151,1171 0.11,1172 0.222,1173 0.136,1174 0.105,1175 4.681,1176 0.15,1177 3.419,1178 0.03,1179 6.891,1180 0.372,1181 4.227,1182 0.102,1183 3.253,1184 4.636,1185 0.916,1186 11.527,1187 3.172,1188 2.029,1189 2,1190 2.084,1191 2.155,1192 1.265,1193 2.134,1194 1.86,1195 1.848,1196 1.925,1197 1.998,1198 1.055,1199 1.974,1200 1.547,1201 1.495,1202 1.67,1203 1.768,1204 0.74,1205 1.745,1206 1.227,1207 1.164,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.225,1213 1.163,1214 1.57,1215 1.517,1216 0.572,1217 1.532,1218 1.176,1219 1.102,1220 1.524,1221 1.477,1222 0.556,1223 1.487,1224 1.144,1225 1.061,1226 1.397,1227 1.394,1228 0.464,1229 1.396,1230 1.003,1231 0.905,1232 1.279,1233 1.359,1234 0.194,1235 1.356,1236 4.143,1238 5.493,1240 7.062,1242 8.735,1244 10.462,1246 4.757,1250 11.744,1252 0.581,1254 16.296,1257 2.05,1262 30.96,1263 80.664,1264 187.395,1265 214.039,1266 220.794,1267 223.549,1268 231.814,1269 39.364,1270 7.989,1271 121.64,1272 121.64,1273 24,1274 12.803,1275 4.248,1276 3.392,1277 42.447,1278 107,1279 100,1280 0.202,1281 189.859,1282 323.73,1283 455.017,1284 31424,1286 19.836,1287 0.708,1288 0.563,1289 19.836,1290 15.762,1291 13.55,1292 0.437,1293 0.274,1294 8.29,1295 12.731,1296 8.026,1297 6.702,1298 13.55,1299 8.508,1300 12.106,1301 0.269,1302 0.138,1303 12.106,1304 6.19,1305 10.774,1306 0.168,1307 0.072,1308 10.774,1309 4.636,1310 9.726,1311 0.109,1312 0.037,1313 9.726,1314 3.332,1315 8.01,1316 0.068,1317 0.02,1318 8.01,1319 2.325,1320 0.313,1321 87.066,1322 0.221,1323 26.318,1324 0.566,1325 152,1326 490.412,1327 171.21,1328 464.955,1329 645.46,1330 438,1331 185,1332 485.594,1333 205.181,1334 494.064,1335 725.65,1336 459,1337 6.328}
{0 CHEMBL58744,1 1.477,2 8.619,3 1.519,4 2.306,5 85.783,6 7.578,7 0.739,8 3.724,9 3.872,10 3.293,11 3.253,12 4.938,13 3.245,14 4.172,15 4.353,16 3.658,17 3.639,18 5.338,19 3.605,20 4.372,21 4.551,22 3.722,23 3.787,24 5.507,25 3.733,26 4.531,27 4.772,28 3.584,29 3.778,30 5.594,31 3.675,32 4.479,33 4.736,34 3.412,35 3.669,36 5.478,37 3.547,38 4.362,39 4.636,40 3.242,41 3.495,42 5.34,43 3.372,44 4.239,45 4.54,46 3.251,47 3.322,48 5.263,49 3.218,50 3.969,51 4.213,52 3.104,53 3.101,54 5.203,55 3.046,56 0.058,57 0.614,58 7.461,59 2.685,60 13.446,61 3.783,62 0.147,63 0.917,64 12.506,65 5.023,66 19.115,67 7.012,68 0.107,69 1.096,70 15.146,71 5.707,72 20.032,73 8.128,74 0.218,75 1.136,76 19.996,77 6.799,78 36.595,79 10.067,80 0.177,81 1.031,82 19.569,83 6.441,84 34.578,85 9.729,86 0.19,87 0.892,88 17.94,89 5.435,90 33.635,91 8.407,92 0.185,93 0.767,94 16.694,95 5.3,96 31.436,97 8.259,98 0.195,99 0.659,100 11.436,101 2.877,102 28.298,103 4.557,104 17,105 33,106 0.265,107 0.645,108 0.794,109 0.873,110 0.873,111 0.873,112 3.104,113 0.854,114 -3.59,115 -3.56,116 -3.4,119 40.5,120 1,121 1,139 3,140 4,141 1,142 2,143 1,144 1,147 1,157 3,158 3,159 3,166 8,169 1,170 4,172 3,173 3,175 2,178 9,180 2,182 5,184 1,185 1,187 3,189 7,191 3,193 4,195 1,196 1,197 1,198 5,200 2,201 5,204 5,205 1,207 5,212 6,215 5,218 6,221 3,226 2,229 2,231 2,234 2,236 2,237 2,238 1,239 3,240 2,243 3,244 1,245 2,246 4,248 1,249 1,251 3,256 3,264 1,265 1,267 2,270 1,272 1,273 520,274 13.878,275 13.878,276 13.878,277 13.878,278 13.878,279 11.693,280 17.357,281 8.01,282 14.134,283 11.333,284 11.333,285 11.333,286 11.333,287 11.333,288 8.133,289 22.096,290 3.806,291 11.757,292 3.733,293 1.615,294 0.784,295 0.345,296 0.345,297 0.345,298 3.781,300 1,301 1,302 1,303 388,304 2.236,307 163.086,311 85.652,314 1.197,315 17.744,317 1,318 0.75,319 0.83,320 0.83,321 0.5,323 0.83,324 1,325 0.68,326 45,327 181,328 4.596,329 3.237,330 6.659,331 4.128,332 3.142,333 4.556,334 0.68,335 10.664,336 3.097,337 4.24,338 3.046,339 6.09,340 3.826,341 2.866,342 3.888,344 8.853,345 2.759,346 3.756,347 2.562,348 5.55,349 3.358,350 2.375,351 3.228,353 7.032,354 2.334,355 3.594,356 2.403,357 5.282,358 3.189,359 2.227,360 2.992,362 6.655,363 2.14,364 3.383,365 2.145,366 4.922,367 2.944,368 2.001,369 2.706,371 5.656,372 1.875,373 2.925,374 1.574,375 4.349,376 2.44,377 1.464,378 2.123,380 3.896,381 1.431,382 2.825,383 1.536,384 4.144,385 2.36,386 1.414,387 1.955,389 3.689,390 1.33,391 2.694,392 1.377,393 3.808,394 2.236,395 1.293,396 1.767,398 3.043,399 1.216,400 1.681,401 0.652,402 3.096,403 1.362,404 0.407,405 0.498,407 1.005,408 0.387,409 1.394,410 0.283,411 2.703,412 1.022,413 0.064,414 0.081,415 0.152,416 0.061,417 0.97,418 -0.223,419 2.518,420 0.539,421 -0.43,422 -0.549,423 -1.144,424 -0.416,425 0.821,426 -0.313,427 2.359,428 0.458,429 -0.51,430 -0.621,431 -1.204,432 -0.466,433 0.799,434 -0.314,435 2.333,436 0.392,437 -0.515,438 -0.652,439 -1.243,440 -0.492,441 0.605,442 -0.647,443 2.1,444 0.24,445 -0.73,446 -1.008,448 -2.101,449 -0.708,450 0.115,451 -0.949,452 1.668,453 -0.217,454 -1.166,455 -1.466,457 -3.137,458 -1.099,459 9.9,460 0.471,461 0.63,462 0.03,463 31.25,464 1.488,465 17.5,466 0.833,467 13.75,468 0.655,469 13.531,470 0.644,471 21.9,472 0.592,473 21.038,474 1.002,475 6.166,476 0.294,477 3.876,478 0.185,479 0.172,481 0.404,485 1.222,486 1.131,487 0.846,488 0.844,489 1.396,490 0.797,491 0.51,492 0.906,493 0.675,494 0.89,495 0.45,496 0.821,497 0.961,498 1.256,499 1.047,500 1.213,501 0.864,502 1.155,503 0.948,504 1.017,505 1.104,506 1.124,507 0.903,508 1.135,509 1.01,510 1.063,511 1.114,512 1.132,513 1.042,514 1.138,515 1.134,516 1.005,517 1.107,518 1.033,519 1.206,520 1.061,521 0.464,522 0.898,523 0.573,524 0.82,525 0.451,526 0.732,527 1.418,528 1.185,529 1.224,530 1.111,531 1.441,532 1.133,533 5,534 0.025,535 2.667,536 1.75,537 1.591,538 0.444,539 0.527,540 0.33,541 0.152,542 0.129,543 4151,544 11429,545 2.045,546 43.2,547 5,548 3,550 2,551 6,555 1.632,556 1.881,557 3.081,558 3.729,560 1,562 1,564 54.637,565 1.477,566 3.595,567 4.425,568 4.865,569 4.865,570 4.865,571 2.475,572 4.011,573 4.368,574 3.191,575 670.185,576 7.484,577 6975.32,578 1,579 1,581 1,582 192.75,583 1.51,584 4.305,585 0.217,586 0.006,587 0.081,588 0.051,589 0.057,590 0.019,591 0.028,592 0.016,593 0.009,594 0.014,595 0.5,596 0.5,597 1,598 0.665,599 93.848,600 -0.26,601 0.078,602 -0.01,603 0.159,604 -0.361,605 0.121,606 0.302,607 0.202,608 0.196,609 0.151,610 0.257,611 0.156,612 -0.107,613 -0.145,614 -0.183,615 -0.196,616 -0.092,617 -0.2,618 -0.056,619 -0.032,620 -0.158,621 -0.129,622 -0.018,623 -0.154,624 -0.141,625 -0.124,626 -0.147,627 -0.136,628 -0.115,629 -0.141,630 -0.173,631 -0.085,632 -0.109,633 -0.065,634 -0.213,635 -0.075,636 0.417,637 -0.064,638 0.472,639 0.174,640 0.453,641 0.305,642 -0.048,643 -0.129,644 -0.232,645 -0.255,646 -0.14,647 -0.268,648 1.491,649 2.097,650 0.762,651 14.227,652 1.001,653 1.137,654 2.362,655 5.58,656 0.671,657 3.178,658 3.526,659 3.784,660 4.043,661 4.277,662 4.263,663 4.357,664 4.419,665 4.533,666 4.454,667 5.081,668 0.642,669 280.37,670 3.178,671 4.727,672 5.58,673 6.466,674 7.335,675 8.222,676 9.098,677 9.985,678 10.864,679 11.751,680 16.2,684 3,690 3,694 2,695 5,696 3,700 6,702 17,711 3,718 37,719 17,720 1,721 23,723 39,724 15,725 13,726 4,727 2,729 3,730 4,734 1,739 1,741 13,742 2,753 1,754 1,757 16,758 6,759 6,760 6,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,810 21,811 3,816 1,836 11.167,837 6.767,838 4.528,839 1.944,840 3.393,841 1.496,842 1.033,843 3.355,844 10.232,845 3.481,846 4.174,847 4.796,848 5.412,849 6.002,850 6.241,851 6.618,852 7.021,853 7.469,854 7.609,855 0.833,856 34,857 7.672,859 3.235,860 7.778,861 14.488,863 11.766,865 2.278,866 47.833,870 117.711,871 79.141,872 149.048,877 79.141,878 117.711,879 149.048,880 8.825,881 2.535,882 127.12,883 73.899,884 35.125,885 4.227,886 94.169,888 117.711,889 228.189,893 117.711,897 33.498,898 144.335,899 50.357,901 117.711,902 149.048,903 79.141,906 117.711,907 23.792,908 55.349,910 149.048,911 117.711,912 149.048,913 79.141,915 0.593,916 0.347,917 0.186,918 0.103,919 17,920 8,921 0.051,922 2,923 1,924 1.125,925 3.268,926 163.634,927 0.125,928 16,929 92.239,933 13.587,934 5.186,935 2.602,936 1.864,937 149.048,938 9.355,939 12.282,943 4.218,945 98.692,946 345.9,947 31.5,956 37.029,957 42.066,958 0.283,959 0.69,960 0.849,961 0.934,962 0.934,963 0.934,964 4.712,965 1.293,966 5.587,967 3.689,968 4.205,969 4.86,970 0.655,971 6.409,972 4.139,973 5.962,974 0.407,975 7.159,976 3.043,977 3.892,978 4.808,980 7.31,981 3.807,982 7.294,983 0.064,984 8.826,985 1.005,986 5.814,987 7.174,988 0.356,989 10.407,990 5.701,991 8.66,992 -0.43,993 10.547,994 0.152,995 6.256,996 7.899,998 12.106,999 6.13,1000 10.054,1001 -0.51,1002 12.302,1003 -1.144,1004 7.698,1005 9.774,1006 0.18,1007 14.735,1008 7.547,1009 11.469,1010 -0.515,1011 14.082,1012 -1.204,1013 8.497,1014 10.888,1016 16.792,1017 8.336,1018 12.9,1019 -0.73,1020 15.88,1021 -1.243,1022 9.745,1023 12.551,1024 0.087,1025 19.249,1026 9.563,1027 3.142,1028 -1.166,1029 17.693,1030 -2.101,1031 10.716,1032 13.864,1034 21.469,1035 10.522,1036 2.866,1037 10.664,1038 19.517,1039 -3.137,1040 11.885,1041 15.434,1042 0.041,1043 23.861,1044 11.674,1045 2.375,1046 8.853,1047 21.351,1048 4.556,1049 12.938,1050 16.845,1052 26.156,1053 12.714,1054 2.227,1055 7.032,1056 23.192,1057 3.888,1058 14.078,1059 18.376,1060 0.019,1061 28.525,1062 13.838,1063 2.001,1064 6.655,1065 25.041,1066 3.228,1067 15.17,1068 19.837,1070 30.855,1071 14.918,1072 1.464,1073 5.656,1074 26.896,1075 2.992,1076 16.3,1077 21.352,1078 0.009,1079 33.216,1080 16.034,1081 1.414,1082 3.896,1083 28.755,1084 2.706,1085 17.411,1086 22.838,1088 35.563,1089 17.133,1090 4073,1091 6850,1092 15.027,1093 24.841,1094 34.785,1095 34.816,1096 36.145,1097 34.51,1098 34.506,1099 47.587,1100 1.36,1101 101.293,1102 33.261,1103 5.36,1104 5.237,1105 6.187,1106 5.197,1107 5.142,1108 7.556,1109 1.36,1110 17.763,1111 5.097,1112 11.066,1113 1.512,1114 1.514,1115 1.572,1116 1.5,1117 1.5,1118 2.069,1119 0.059,1120 4.404,1121 1.446,1122 4.098,1123 4.127,1124 4.062,1125 4.033,1126 5.292,1127 4.037,1128 3.861,1129 3.916,1130 3.825,1131 3.708,1132 5.154,1133 3.729,1134 3.526,1135 3.579,1136 3.438,1137 3.415,1138 4.978,1139 3.416,1140 3.245,1141 3.331,1142 3.132,1143 3.047,1144 4.787,1145 3.06,1146 3.098,1147 3.202,1148 2.964,1149 2.873,1150 4.463,1151 2.88,1152 2.999,1153 3.123,1154 2.814,1155 2.708,1156 4.268,1157 2.712,1158 2.902,1159 3.016,1160 2.71,1161 2.625,1162 4,1163 2.639,1164 2.725,1165 2.82,1166 2.57,1167 2.535,1168 3.745,1169 2.541,1170 0.2,1171 0.141,1172 0.29,1173 0.179,1174 0.137,1175 4.596,1176 0.198,1177 3.237,1178 0.03,1179 6.659,1180 0.464,1181 4.128,1182 0.135,1183 3.142,1184 4.556,1185 0.68,1186 10.664,1187 3.097,1188 2.061,1189 2.038,1190 2.133,1191 2.144,1192 1.305,1193 2.142,1194 1.789,1195 1.745,1196 1.887,1197 1.973,1198 1.024,1199 1.947,1200 1.513,1201 1.466,1202 1.687,1203 1.669,1204 0.724,1205 1.683,1206 1.199,1207 1.124,1208 1.459,1209 1.461,1210 0.458,1211 1.464,1212 1.057,1213 0.969,1214 1.355,1215 1.357,1216 0.329,1217 1.363,1218 0.932,1219 0.825,1220 1.248,1221 1.302,1222 0.149,1223 1.311,1224 0.847,1225 0.737,1226 1.173,1227 1.18,1229 1.189,1230 0.709,1231 0.625,1232 1.041,1233 0.981,1235 1.012,1236 3.85,1238 5.187,1240 6.725,1242 8.359,1244 10.041,1246 2.036,1250 17.481,1252 0.598,1262 23.762,1263 54.637,1264 133.001,1265 163.73,1266 179.995,1267 179.995,1268 179.995,1269 27.97,1270 6.839,1271 116.73,1272 116.73,1273 18,1274 12.284,1275 4.17,1276 3.248,1277 32.165,1278 64,1279 64,1280 0.252,1281 149.822,1282 243.16,1283 357.326,1284 7637,1286 14.983,1287 0.713,1288 0.556,1289 14.983,1290 11.668,1291 10.042,1292 0.437,1293 0.285,1294 6.473,1295 9.732,1296 6.268,1297 5.242,1298 10.042,1299 6.549,1300 9.442,1301 0.286,1302 0.152,1303 9.442,1304 5.025,1305 7.765,1306 0.181,1307 0.081,1308 7.765,1309 3.463,1310 6.52,1311 0.116,1312 0.042,1313 6.52,1314 2.37,1315 5.272,1316 0.074,1317 0.023,1318 5.272,1319 1.633,1320 0.386,1321 62.433,1322 0.258,1323 20.539,1324 0.717,1325 112,1326 294.872,1327 120.798,1328 301.072,1329 419.64,1330 280,1331 132,1332 321.282,1333 140.354,1334 332.333,1335 481.07,1336 311,1337 4.495}
{0 CHEMBL58908,1 1.694,2 8.619,3 1.693,4 2.867,5 79.098,6 7.793,7 0.522,8 3.752,9 3.865,10 3.346,11 3.178,12 4.931,13 3.211,14 4.256,15 4.409,16 3.698,17 3.53,18 5.445,19 3.547,20 4.355,21 4.521,22 3.678,23 3.617,24 5.462,25 3.604,26 4.407,27 4.597,28 3.62,29 3.62,30 5.517,31 3.577,32 4.451,33 4.661,34 3.47,35 3.583,36 5.449,37 3.517,38 4.39,39 4.606,40 3.409,41 3.492,42 5.387,43 3.431,44 4.342,45 4.587,46 3.361,47 3.335,48 5.405,49 3.26,50 4.097,51 4.339,52 3.141,53 3.068,54 5.168,55 3.021,56 0.115,57 0.553,58 7.435,59 2.975,60 11.918,61 3.761,62 0.456,63 0.806,64 14.589,65 5.229,66 30.817,67 6.48,68 0.414,69 0.897,70 15.947,71 5.452,72 26.405,73 7.273,74 0.423,75 0.918,76 17.117,77 5.95,78 36.137,79 8.102,80 0.468,81 0.884,82 19.342,83 6.113,84 36.551,85 8.384,86 0.416,87 0.829,88 18.121,89 5.5,90 33.202,91 7.738,92 0.576,93 0.714,94 18.675,95 5.433,96 41.235,97 8.108,98 0.421,99 0.579,100 14.432,101 3.708,102 32.163,103 5.73,104 12,105 32,106 0.309,107 0.659,108 0.817,109 0.856,110 0.866,111 0.876,112 3.104,113 0.86,114 -2.9,115 -2.9,116 -2.81,119 37.8,120 1,121 1,125 1,126 1,139 2,140 2,141 3,142 1,144 1,147 1,157 2,158 2,159 2,166 4,169 2,170 5,172 3,173 3,175 1,178 4,180 1,181 1,182 6,187 1,189 2,191 1,192 1,193 7,195 1,196 1,197 1,198 2,200 2,201 1,204 2,205 1,207 8,212 3,215 1,218 3,221 2,226 1,229 2,231 1,233 4,236 2,237 2,239 2,241 1,243 2,245 2,248 1,249 1,260 2,262 2,263 2,265 1,270 1,273 544,274 14.248,275 14.248,276 14.248,277 14.248,278 14.248,279 12.695,280 22.367,281 8.482,282 14.776,283 11.341,284 11.341,285 11.341,286 11.341,287 11.341,288 8.932,289 31.215,290 3.966,291 12.114,292 3.515,293 1.589,294 0.723,295 0.507,296 0.453,297 0.399,298 3.783,300 1,301 1,302 1,303 387,304 2.55,306 46.026,307 114.893,310 81.097,314 1.197,315 22.432,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 47,327 181,328 4.447,329 3.455,330 6.544,331 4.052,332 3.101,333 4.124,334 1.392,335 10.369,336 2.95,337 4.23,338 3.086,339 6.088,340 3.816,341 2.86,342 3.876,343 0.86,344 8.845,345 2.731,346 3.609,347 2.675,348 5.285,349 3.25,350 2.293,351 2.942,352 0.68,353 6.741,354 2.19,355 3.39,356 2.539,357 5.224,358 3.035,359 2.119,360 2.67,361 0.532,362 6.322,363 1.93,364 3.36,365 2.184,366 4.922,367 2.942,368 2.003,369 2.623,371 5.656,372 1.869,373 2.824,374 1.845,375 4.149,376 2.357,377 1.424,378 1.952,380 3.684,381 1.326,382 2.299,383 1.724,384 3.832,385 2.121,386 1.206,387 1.286,389 2.819,390 1.106,391 2.169,392 1.529,393 3.434,394 2.053,395 1.089,396 1.154,398 2.288,399 1.032,400 1.819,401 1.16,402 3.12,403 1.591,404 0.67,405 0.74,407 1.438,408 0.61,409 1.539,410 0.611,411 2.949,412 1.253,413 0.318,414 0.375,415 0.754,416 0.296,417 1,418 0.034,419 2.563,420 0.69,421 -0.258,422 -0.303,423 -0.512,424 -0.242,425 0.817,426 -0.142,427 2.359,428 0.524,429 -0.437,430 -0.521,431 -1.12,432 -0.419,433 0.772,434 -0.314,435 2.304,436 0.392,437 -0.515,438 -0.621,439 -1.243,440 -0.467,441 0.309,442 -0.592,443 1.926,444 0.03,445 -0.919,446 -1.087,448 -2.122,449 -0.862,450 0.294,451 -0.655,452 1.662,453 -0.02,454 -1,455 -1.236,457 -2.636,458 -0.976,459 9.6,460 0.457,461 0.503,462 0.024,463 29,464 1.381,465 14.5,466 0.69,467 14.5,468 0.69,469 14.22,470 0.677,471 23.4,472 0.632,473 19.393,474 0.923,475 5.792,476 0.276,477 4.377,478 0.208,479 0.135,481 0.365,485 1.02,486 1.341,487 0.773,488 1.152,489 1.21,490 0.925,491 1.088,492 0.822,493 0.788,494 0.879,495 0.725,496 0.799,497 1.053,498 1.167,499 0.973,500 1.073,501 0.941,502 1.013,503 0.837,504 1.064,505 1.027,506 1.193,507 0.914,508 1.154,509 1.222,510 1.04,511 1.145,512 1.056,513 1.108,514 1.089,515 1.177,516 1.115,517 1.142,518 1.126,519 1.1,520 1.126,521 0.703,522 0.921,523 0.81,524 0.964,525 0.543,526 0.945,527 0.954,528 1.127,529 0.903,530 0.975,531 1.006,532 0.947,533 4.5,534 0.049,535 2.222,536 1.438,537 1.218,538 0.486,539 0.547,540 0.264,541 0.184,542 0.108,543 4178,544 12632,545 2.074,546 43.2,547 2,548 4,549 2,550 1,551 4,553 3,555 1.634,556 1.938,557 3.088,558 1.968,559 1,560 1,562 1,564 62.692,565 1.694,566 3.62,567 4.486,568 4.703,569 4.757,570 4.811,571 2.475,572 4.202,573 4.365,574 3.203,575 672.649,576 7.489,577 7069.24,578 1,579 1,581 1,582 192.75,583 1.418,584 4.322,585 0.196,586 0.012,587 0.069,588 0.046,589 0.043,590 0.02,591 0.025,592 0.013,593 0.011,594 0.012,595 0.449,596 0.33,597 1,598 1.029,599 94.079,600 -0.149,601 -0.101,602 0.034,603 -0.061,604 -0.266,605 0.031,606 0.065,607 0.247,608 0.137,609 0.161,610 0.179,611 0.156,612 -0.077,613 -0.089,614 -0.073,615 -0.035,616 -0.093,617 -0.045,618 0.032,619 -0.002,620 -0.121,621 -0.172,622 -0.001,623 -0.175,624 -0.225,625 -0.084,626 -0.184,627 -0.048,628 -0.203,629 -0.1,630 -0.203,631 -0.149,632 -0.179,633 -0.142,634 -0.173,635 -0.15,636 0.311,637 -0.06,638 0.221,639 0.001,640 0.372,641 0.058,642 0.104,643 -0.233,644 0.13,645 -0.057,646 0.066,647 0.013,648 1.503,649 2.089,650 0.714,651 14.853,652 1.019,653 1.138,654 1.667,655 2.78,656 0.647,657 3.178,658 3.497,659 3.761,660 4.043,661 4.22,662 4.277,663 4.357,664 4.466,665 4.443,666 4.431,667 5.129,668 0.632,669 288.34,670 3.178,671 4.71,672 5.557,673 6.438,674 7.305,675 8.19,676 9.064,677 9.951,678 10.829,679 11.716,680 10.8,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 3,718 37,719 12,720 1,721 23,723 39,724 14,725 10,726 4,727 2,729 3,730 4,734 1,739 1,741 10,742 4,753 1,754 1,757 16,758 7,759 4,760 7,764 4,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,806 1,810 21,811 2,816 3,818 3,829 8.1,834 3,836 10.833,837 6.817,838 4.667,839 2.113,840 2.284,841 1.336,842 0.982,843 3.921,844 9.076,845 3.401,846 4.007,847 4.559,848 5.118,849 5.621,850 5.789,851 6.032,852 6.407,853 6.662,854 6.937,855 0.833,856 31,857 7.695,859 3.213,860 7.817,861 14.458,863 11.457,865 2.317,866 48.667,870 141.253,871 76.931,872 99.365,874 33,877 76.931,878 174.253,879 99.365,880 8.825,881 13.777,882 84.747,883 45.342,884 64.149,885 27.769,886 105.94,888 141.253,889 176.296,890 33,893 105.94,894 68.313,897 33.549,898 109.176,899 33.571,901 141.253,902 132.365,903 76.931,906 141.253,907 40.106,908 36.825,910 132.365,911 141.253,912 132.365,913 76.931,915 0.575,916 0.337,917 0.191,918 0.103,919 16,920 7,921 0.103,922 4,923 1,924 1.133,925 3.322,926 161.559,927 0.133,928 15,929 92.239,933 14.071,934 5.852,935 2.924,937 132.365,938 5.441,939 7.925,943 4.286,945 65.794,946 350.549,947 29,956 37.691,957 42.113,958 0.325,959 0.695,960 0.861,961 0.903,962 0.913,963 0.923,964 4.635,965 1.089,966 5.541,967 2.819,968 4.174,969 4.691,970 2.059,971 6.347,972 4.057,973 5.839,974 0.67,975 7.094,976 2.288,977 3.761,978 4.559,980 7.209,981 3.601,982 7.151,983 0.318,984 8.745,985 1.438,986 5.759,987 6.888,988 2.32,989 10.309,990 5.543,991 8.498,992 -0.258,993 10.452,994 0.754,995 6.155,996 7.532,998 11.989,999 5.891,1000 9.875,1001 -0.437,1002 12.196,1003 -0.512,1004 7.623,1005 9.364,1006 2.808,1007 14.596,1008 7.318,1009 11.273,1010 -0.515,1011 13.964,1012 -1.12,1013 8.398,1014 10.368,1016 16.63,1017 8.04,1018 12.687,1019 -0.919,1020 15.751,1021 -1.243,1022 9.652,1023 11.988,1024 3.395,1025 19.06,1026 9.255,1027 3.101,1028 -1,1029 17.552,1030 -2.122,1031 10.607,1032 13.176,1034 21.254,1035 10.156,1036 2.86,1037 10.369,1038 19.365,1039 -2.636,1040 11.773,1041 14.692,1042 4.024,1043 23.617,1044 11.282,1045 2.293,1046 8.845,1047 21.186,1048 4.124,1049 12.814,1050 15.978,1052 25.883,1053 12.268,1054 2.119,1055 6.741,1056 23.015,1057 3.876,1058 13.946,1059 17.44,1060 4.671,1061 28.223,1062 13.357,1063 2.003,1064 6.322,1065 24.85,1066 2.942,1067 15.026,1068 18.778,1070 30.522,1071 14.384,1072 1.424,1073 5.656,1074 26.69,1075 2.67,1076 16.145,1077 20.212,1078 5.325,1079 32.854,1080 15.458,1081 1.206,1082 3.684,1083 28.535,1084 2.623,1085 17.244,1086 21.579,1088 35.169,1089 16.505,1090 4110,1091 7255,1092 15.315,1093 23.955,1094 34.154,1095 35.254,1096 35.441,1097 34.157,1098 34.168,1099 43.485,1100 6.926,1101 97.832,1102 32.079,1103 5.297,1104 5.455,1105 6.307,1106 5.122,1107 5.101,1108 7.124,1109 2.783,1110 17.315,1111 4.95,1112 9.878,1113 1.485,1114 1.533,1115 1.541,1116 1.485,1117 1.486,1118 1.891,1119 0.301,1120 4.254,1121 1.395,1122 4.007,1123 4.026,1124 3.968,1125 3.903,1126 5.291,1127 3.914,1128 3.828,1129 3.867,1130 3.796,1131 3.654,1132 5.025,1133 3.683,1134 3.477,1135 3.543,1136 3.3,1137 3.263,1138 4.977,1139 3.254,1140 3.356,1141 3.396,1142 3.255,1143 3.109,1144 4.568,1145 3.143,1146 3.107,1147 3.208,1148 2.972,1149 2.846,1150 4.455,1151 2.868,1152 2.965,1153 3.07,1154 2.811,1155 2.688,1156 4.212,1157 2.707,1158 2.842,1159 2.908,1160 2.711,1161 2.594,1162 3.914,1163 2.617,1164 2.674,1165 2.773,1166 2.469,1167 2.46,1168 3.745,1169 2.451,1170 0.193,1171 0.15,1172 0.285,1173 0.176,1174 0.135,1175 4.447,1176 0.179,1177 3.455,1178 0.061,1179 6.544,1180 0.451,1181 4.052,1182 0.128,1183 3.101,1184 4.124,1185 1.392,1186 10.369,1187 2.95,1188 1.918,1189 1.899,1190 2.006,1191 2.037,1192 1.205,1193 2.026,1194 1.718,1195 1.681,1196 1.822,1197 1.903,1198 0.946,1199 1.876,1200 1.457,1201 1.385,1202 1.752,1203 1.694,1204 0.836,1205 1.722,1206 1.162,1207 1.125,1208 1.434,1209 1.514,1210 0.578,1211 1.481,1212 1.12,1213 1.059,1214 1.355,1215 1.414,1216 0.37,1217 1.404,1218 0.896,1219 0.787,1220 1.222,1221 1.283,1222 0.14,1223 1.28,1224 0.774,1225 0.723,1226 1.07,1227 1.066,1228 0.061,1229 1.073,1230 0.744,1231 0.655,1232 1.048,1233 1.011,1235 1.021,1236 3.85,1238 5.165,1239 2.398,1240 6.673,1241 4.595,1242 8.28,1243 6.605,1244 9.938,1246 1.917,1250 11.36,1252 1.307,1254 16.431,1262 23.391,1263 62.692,1264 133.956,1265 165.995,1266 173.995,1267 175.995,1268 177.995,1269 26.893,1270 6.791,1271 105.51,1272 105.51,1273 17,1274 12.249,1275 3.7,1276 2.807,1277 32.112,1278 64,1279 64,1280 0.25,1281 144.485,1282 246.41,1283 344.302,1284 7104,1286 14.82,1287 0.706,1288 0.554,1289 14.82,1290 11.627,1291 10.169,1292 0.442,1293 0.287,1294 6.441,1295 9.569,1296 6.303,1297 5.221,1298 10.169,1299 6.592,1300 9.132,1301 0.285,1302 0.143,1303 9.132,1304 4.576,1305 7.5,1306 0.179,1307 0.074,1308 7.5,1309 3.109,1310 6.508,1311 0.116,1312 0.039,1313 6.508,1314 2.187,1315 4.967,1316 0.074,1317 0.021,1318 4.967,1319 1.422,1320 0.382,1321 65.179,1322 0.256,1323 20.594,1324 0.709,1325 110,1326 373.121,1327 126.9,1328 348.355,1329 478.35,1330 328,1331 129,1332 356.335,1333 145.513,1334 356.069,1335 523.69,1336 333,1337 4.432}
{0 CHEMBL589525,1 1.422,2 9.375,3 3.23,4 10.433,5 99.945,6 7.01,7 0.593,8 3.936,9 4.086,10 3.458,11 3.451,12 4.994,13 3.428,14 4.473,15 4.673,16 3.837,17 3.884,18 5.472,19 3.829,20 4.711,21 4.931,22 3.89,23 4.036,24 5.609,25 3.95,26 4.811,27 5.052,28 3.868,29 4.051,30 5.746,31 3.938,32 4.852,33 5.121,34 3.644,35 4.008,36 5.719,37 3.86,38 4.809,39 5.108,40 3.5,41 3.913,42 5.532,43 3.733,44 4.635,45 4.934,46 3.468,47 3.75,48 5.458,49 3.609,50 4.46,51 4.736,52 3.431,53 3.609,54 5.336,55 3.498,56 0.062,57 0.751,58 10.434,59 3.669,60 10.636,61 5.508,62 0.239,63 1.19,64 18.836,65 6.918,66 23.293,67 10.109,68 0.147,69 1.418,70 24.237,71 8.541,72 18.693,73 12.988,74 0.312,75 1.499,76 27.433,77 9.664,78 34.177,79 14.505,80 0.391,81 1.46,82 29.533,83 9.196,84 40.374,85 14.306,86 0.21,87 1.29,88 28.653,89 10.034,90 27.148,91 15.422,92 0.245,93 1.117,94 24.216,95 7.733,96 31.306,97 12.144,98 0.159,99 0.988,100 19.897,101 6.139,102 21.235,103 9.82,104 10,105 39,106 0.244,107 0.629,108 0.8,109 0.84,110 0.862,111 0.877,112 3.229,113 0.927,114 -4.7,115 -4.62,116 -4.34,119 39.1,121 4,124 1,125 1,139 3,140 4,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 10,169 1,170 5,172 3,173 4,175 3,178 11,180 1,182 6,187 1,189 9,191 1,193 3,195 1,196 3,197 3,198 1,200 4,201 7,204 1,205 1,206 2,207 1,209 1,210 1,212 1,215 7,218 1,226 2,229 6,234 4,236 1,237 1,239 5,241 4,243 2,246 6,251 6,254 1,256 3,260 6,265 6,270 5,273 714,274 16.292,275 16.292,276 16.292,277 16.292,278 16.292,279 14.338,280 20.428,281 9.478,282 16.624,283 13.337,284 13.337,285 13.337,286 13.337,287 13.337,288 10.316,289 25.341,290 4.477,291 13.884,292 4.102,293 1.853,294 0.859,295 0.625,296 0.495,297 0.408,298 3.927,300 1,301 1,302 1,303 498,304 2.828,306 46.155,307 168.248,310 87.27,311 94.648,314 1.292,315 15.42,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 51,327 225,328 4.642,329 3.375,330 6.791,331 4.175,332 3.208,333 4.609,334 0.916,335 11.153,336 3.106,337 4.42,338 3.232,339 6.656,340 4.068,341 3.088,342 4.056,343 0.172,344 10.672,345 3.028,346 3.738,347 2.756,348 5.684,349 3.412,350 2.464,351 3.164,353 7.518,354 2.333,355 3.549,356 2.414,357 5.289,358 3.188,359 2.252,360 2.813,362 6.586,363 2.105,364 3.404,365 2.067,366 5.063,367 2.899,368 1.98,369 2.762,371 5.791,372 1.818,373 3.055,374 1.969,375 4.8,376 2.696,377 1.735,378 2.23,380 5.094,381 1.66,382 2.948,383 1.787,384 4.424,385 2.618,386 1.618,387 2.115,389 4.034,390 1.618,391 2.565,392 1.551,393 3.937,394 2.344,395 1.374,396 1.576,398 3.372,399 1.331,400 2.434,401 1.27,402 3.589,403 2.235,404 1.243,405 1.429,407 2.769,408 1.23,409 2.271,410 0.895,411 3.576,412 1.766,413 0.832,414 1.177,415 2.085,416 0.775,417 1.867,418 0.826,419 3.248,420 1.666,421 0.687,422 0.789,423 1.666,424 0.672,425 1.176,426 0.185,427 2.773,428 0.851,429 -0.09,430 -0.106,431 -0.24,432 -0.084,433 0.98,434 -0.243,435 2.654,436 0.565,437 -0.376,438 -0.484,439 -1.013,440 -0.349,441 0.825,442 -0.283,443 2.355,444 0.476,445 -0.477,446 -0.572,448 -1.169,449 -0.457,450 0.669,451 -0.381,452 2.239,453 0.382,454 -0.618,455 -0.721,457 -1.478,458 -0.58,459 11.4,460 0.475,461 0.627,462 0.026,463 31.75,464 1.323,465 15.5,466 0.646,467 16.25,468 0.677,469 19.603,470 0.817,471 25.8,472 0.561,473 21.374,474 0.891,475 5.94,476 0.247,477 5.691,478 0.237,479 0.114,481 0.386,485 1.173,486 1.322,487 0.881,488 1.01,489 1.234,490 0.924,491 0.69,492 0.912,493 0.817,494 0.92,495 0.386,496 0.891,497 0.901,498 1.254,499 0.954,500 1.142,501 0.747,502 1.069,503 0.663,504 1.106,505 1.011,506 1.201,507 0.549,508 1.159,509 1.242,510 0.876,511 1.272,512 1.064,513 1.267,514 1.155,515 0.638,516 0.945,517 0.886,518 1.017,519 0.519,520 0.989,521 0.867,522 0.824,523 0.845,524 0.825,525 0.947,526 0.831,527 0.967,528 1.13,529 0.869,530 0.975,531 0.846,532 0.92,533 4.5,534 0.087,535 2.889,536 2.285,537 1.4,538 0.743,539 0.401,540 0.313,541 0.219,542 0.128,543 6346,544 14097,545 2.135,546 47.8,547 8,548 8,549 1,551 5,555 1.67,556 2,557 3.192,558 2.619,559 1,560 1,564 65.408,565 1.422,566 3.671,567 4.665,568 4.898,569 5.029,570 5.116,571 2.622,572 4.137,573 4.562,574 3.315,575 914.959,576 7.875,577 10466.4,579 1,581 1,582 254.084,583 1.406,584 4.518,585 0.167,586 0.01,587 0.074,588 0.057,589 0.038,590 0.027,591 0.016,592 0.013,593 0.009,594 0.008,595 0.417,596 0.17,597 1,598 0.566,599 112.597,600 -0.147,601 -0.065,602 0.04,603 0.055,604 -0.177,605 0.069,606 0.269,607 0.23,608 0.123,609 0.125,610 0.326,611 0.108,612 -0.044,613 -0.188,614 -0.015,615 -0.1,616 -0.014,617 -0.061,618 0.248,619 -0.078,620 -0.056,621 -0.189,622 0.238,623 -0.166,624 -0.175,625 0.126,626 -0.292,627 -0.106,628 -0.256,629 -0.197,630 0.057,631 -0.084,632 0.08,633 -0.001,634 0.108,635 0.035,636 0.032,637 0.075,638 0.144,639 0.15,640 0.012,641 0.16,642 0.001,643 -0.18,644 0.116,645 -0.002,646 0.074,647 0.06,648 1.473,649 2.058,650 0.792,651 16.229,652 0.993,653 1.137,654 3.471,655 12.047,656 0.655,657 3.332,658 3.689,659 4.007,660 4.331,661 4.511,662 4.564,663 4.644,664 4.745,665 4.804,666 4.779,667 5.517,668 0.616,669 322.46,670 3.332,671 4.89,672 5.765,673 6.668,674 7.556,675 8.463,676 9.355,677 10.262,678 11.156,679 12.063,680 13,684 2,686 1,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,714 1,718 46,719 16,720 1,721 27,723 49,724 18,725 12,726 3,727 3,729 4,730 6,736 4,739 4,741 12,742 6,753 1,754 1,757 22,758 5,759 5,760 6,764 6,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,806 1,810 24,811 2,816 5,821 1,836 12,837 8.35,838 5.167,839 2.772,840 3.221,841 1.431,842 1.046,843 3.905,844 10.688,845 3.584,846 4.245,847 4.891,848 5.526,849 5.998,850 6.281,851 6.594,852 6.931,853 7.079,854 7.26,855 1,856 40,857 8.846,859 3.785,860 7.556,861 17.309,863 14.666,865 2.056,866 49.333,869 1,870 200.109,871 78.945,872 119.275,877 78.945,878 200.109,879 119.275,880 8.396,881 12.244,882 103.271,883 35.286,884 34.796,885 15.998,886 188.338,888 200.109,889 198.22,893 200.109,897 32.644,898 132.006,899 33.571,901 200.109,902 119.275,903 78.945,906 200.109,907 33.073,908 48.997,909 16.786,910 99.365,911 200.109,912 119.275,913 78.945,915 0.589,916 0.356,917 0.208,918 0.108,919 21,920 9,921 0.061,922 3,923 2,924 1.211,925 3.583,926 205.811,927 0.211,928 19,929 108.039,933 15.425,934 6.076,935 2.777,936 1.555,937 102.49,938 8.563,939 8.311,940 3.151,943 5.978,945 82.58,946 398.329,947 35,956 45.68,957 52.311,958 0.257,959 0.665,960 0.845,961 0.887,962 0.91,963 0.926,964 4.836,965 1.374,966 5.765,967 4.034,968 4.369,969 4.931,970 0.918,971 6.621,972 4.293,973 6.061,974 1.243,975 7.349,976 3.372,977 4.007,978 4.856,979 0.325,980 7.603,981 3.889,982 7.39,983 0.832,984 9.035,985 2.769,986 5.999,987 7.219,988 0.671,989 10.748,990 5.859,991 8.758,992 0.687,993 10.782,994 2.085,995 6.463,996 7.998,997 0.393,998 12.582,999 6.292,1000 10.162,1001 -0.09,1002 12.569,1003 1.666,1004 7.936,1005 9.846,1006 0.533,1007 15.241,1008 7.744,1009 11.59,1010 -0.376,1011 14.384,1012 -0.24,1013 8.783,1014 11.021,1015 0.384,1016 17.415,1017 8.567,1018 13.038,1019 -0.477,1020 16.22,1021 -1.013,1022 10.054,1023 12.664,1024 0.438,1025 19.907,1026 9.815,1027 3.208,1028 -0.618,1029 18.07,1030 -1.169,1031 11.073,1032 14.022,1033 0.351,1034 22.215,1035 10.811,1036 3.088,1037 11.153,1038 19.933,1039 -1.478,1040 12.266,1041 15.584,1042 0.366,1043 24.647,1044 11.98,1045 2.464,1046 10.672,1047 21.805,1048 4.609,1049 13.36,1050 17.026,1051 0.312,1052 27.008,1053 13.049,1054 2.252,1055 7.518,1056 23.684,1057 4.056,1058 14.524,1059 18.557,1060 0.309,1061 29.417,1062 14.188,1063 1.98,1064 6.586,1065 25.568,1066 3.164,1067 15.65,1068 20.038,1069 0.273,1070 31.799,1071 15.287,1072 1.735,1073 5.791,1074 27.458,1075 2.813,1076 16.805,1077 21.557,1078 0.262,1079 34.201,1080 16.416,1081 1.618,1082 5.094,1083 29.35,1084 2.762,1085 17.945,1086 23.057,1087 0.236,1088 36.592,1089 17.529,1090 5974,1091 9059,1092 18.205,1093 30.125,1094 41.267,1095 41.059,1096 42.555,1097 41.029,1098 40.964,1099 53.439,1100 2.178,1101 121.48,1102 39.353,1103 5.588,1104 5.375,1105 6.48,1106 5.248,1107 5.208,1108 7.609,1109 1.605,1110 18.327,1111 5.106,1112 10.399,1113 1.528,1114 1.521,1115 1.576,1116 1.52,1117 1.517,1118 1.979,1119 0.081,1120 4.499,1121 1.458,1122 4.12,1123 4.166,1124 4.089,1125 3.997,1126 5.322,1127 4.011,1128 3.998,1129 4.033,1130 3.936,1131 3.918,1132 4.981,1133 3.922,1134 3.574,1135 3.648,1136 3.45,1137 3.425,1138 4.782,1139 3.415,1140 3.448,1141 3.522,1142 3.342,1143 3.252,1144 4.717,1145 3.269,1146 3.32,1147 3.413,1148 3.187,1149 3.079,1150 4.172,1151 3.097,1152 3.099,1153 3.217,1154 2.975,1155 2.91,1156 4.074,1157 2.891,1158 3.071,1159 3.163,1160 2.859,1161 2.77,1162 4.034,1163 2.806,1164 2.85,1165 2.971,1166 2.604,1167 2.651,1168 3.698,1169 2.631,1170 0.172,1171 0.125,1172 0.252,1173 0.155,1174 0.119,1175 4.642,1176 0.171,1177 3.375,1178 0.034,1179 6.791,1180 0.413,1181 4.175,1182 0.115,1183 3.208,1184 4.609,1185 0.916,1186 11.153,1187 3.106,1188 2.005,1189 1.975,1190 2.134,1191 2.097,1192 1.442,1193 2.11,1194 1.828,1195 1.792,1196 1.894,1197 2.008,1198 1.118,1199 1.972,1200 1.606,1201 1.539,1202 1.793,1203 1.823,1204 0.939,1205 1.825,1206 1.511,1207 1.453,1208 1.705,1209 1.676,1210 0.784,1211 1.693,1212 1.284,1213 1.199,1214 1.565,1215 1.545,1216 0.739,1217 1.558,1218 1.111,1219 1.024,1220 1.456,1221 1.383,1222 0.6,1223 1.376,1224 1.026,1225 0.927,1226 1.295,1227 1.325,1228 0.325,1229 1.366,1230 0.897,1231 0.773,1232 1.248,1233 1.273,1234 0.306,1235 1.285,1236 4.007,1238 5.352,1239 2.398,1240 6.899,1241 4.727,1242 8.543,1243 6.843,1244 10.238,1246 2.122,1250 11.728,1252 5.645,1257 2.28,1262 28.343,1263 65.408,1264 168.859,1265 214.574,1266 225.329,1267 231.329,1268 235.329,1269 29.123,1270 7.467,1271 96.85,1272 96.85,1273 23,1274 12.583,1275 4.087,1276 3.17,1277 33.833,1278 81,1279 74,1280 0.21,1281 174.133,1282 285.34,1283 416.645,1284 18029,1286 16.681,1287 0.695,1288 0.577,1289 16.681,1290 13.841,1291 11.631,1292 0.431,1293 0.309,1294 8.241,1295 11.262,1296 8.03,1297 6.667,1298 11.631,1299 8.341,1300 10.745,1301 0.276,1302 0.166,1303 10.745,1304 6.483,1305 9.169,1306 0.17,1307 0.09,1308 9.169,1309 4.848,1310 8.429,1311 0.112,1312 0.05,1313 8.429,1314 3.729,1315 6.45,1316 0.072,1317 0.029,1318 6.45,1319 2.57,1320 0.323,1321 72.294,1322 0.234,1323 23.072,1324 0.593,1325 132,1326 309.893,1327 142.241,1328 312.872,1329 445.78,1330 294,1331 159,1332 348.761,1333 169.491,1334 357.912,1335 526.97,1336 337,1337 5.088}
{0 CHEMBL590502,1 1.862,2 8.583,3 0.98,4 0.96,5 86.11,6 8.955,7 0.615,8 3.787,9 3.904,10 3.479,11 3.157,12 5.145,13 3.234,14 4.24,15 4.384,16 3.854,17 3.512,18 5.692,19 3.588,20 4.324,21 4.453,22 3.968,23 3.617,24 5.696,25 3.7,26 4.479,27 4.607,28 4.046,29 3.676,30 5.97,31 3.75,32 4.622,33 4.801,34 3.9,35 3.645,36 6.1,37 3.683,38 4.509,39 4.715,40 3.657,41 3.511,42 5.824,43 3.514,44 4.278,45 4.491,46 3.54,47 3.251,48 5.665,49 3.297,50 4.09,51 4.286,52 3.429,53 3.08,54 5.659,55 3.126,56 0.288,57 0.597,58 5.589,59 2.271,60 18.593,61 2.698,62 0.625,63 0.858,64 11.856,65 4.222,66 65.718,67 4.911,68 0.568,69 0.973,70 10.448,71 3.924,72 41.467,73 4.632,74 0.752,75 1.019,76 12.586,77 5.069,78 56.496,79 5.834,80 1.15,81 0.973,82 19.389,83 4.887,84 90.584,85 6.212,86 0.911,87 0.816,88 19.93,89 5.515,90 104.316,91 7.344,92 0.745,93 0.67,94 15.728,95 3.525,96 83.077,97 5.016,98 0.584,99 0.55,100 11.24,101 2.808,102 62.931,103 4.086,104 46,105 38,106 0.332,107 0.707,108 0.776,109 0.815,110 0.824,111 0.853,112 3.23,113 0.767,114 -2.93,115 -2.93,116 -2.83,119 35.1,124 2,139 2,140 1,141 3,143 1,144 1,147 1,155 2,157 2,158 2,159 2,160 2,166 2,169 2,170 3,172 3,173 5,175 1,178 1,181 4,182 7,184 1,185 1,187 1,192 4,193 7,195 1,196 3,197 3,198 1,200 4,205 1,206 5,207 4,209 1,210 4,212 1,218 1,220 2,221 2,224 1,226 2,231 2,233 4,234 1,236 1,237 1,239 2,243 2,245 4,248 4,249 4,251 1,256 1,259 1,262 4,263 4,273 758,274 15.964,275 15.964,276 15.964,277 15.964,278 15.964,279 13.763,280 16.742,281 9.035,282 16.634,283 12.676,284 12.676,285 12.676,286 12.676,287 12.676,288 9.205,289 18.802,290 4.051,291 13.594,292 3.348,293 1.24,294 0.852,295 0.635,296 0.581,297 0.419,298 3.903,301 1,302 1,303 431,304 3.082,306 46.258,307 138.391,310 91.846,314 1.201,315 37.924,318 0.75,319 0.83,320 0.83,321 0.3,323 0.67,324 0.5,325 0.55,326 55.5,327 206,328 4.681,329 3.851,330 6.948,331 4.236,332 3.277,333 4.591,334 2.612,335 11.717,336 3.143,337 4.511,338 3.205,339 6.537,340 4.009,341 3.066,342 4.322,343 0.86,344 10.311,345 2.886,346 3.874,347 3.127,348 6.013,349 3.473,350 2.536,351 3.326,352 0.86,353 8.463,354 2.369,355 3.774,356 2.656,357 5.466,358 3.198,359 2.261,360 3.264,362 6.688,363 2.12,364 3.47,365 2.249,366 5.048,367 2.991,368 2.064,369 2.833,371 5.882,372 1.906,373 3.356,374 2.181,375 5.009,376 2.844,377 1.913,378 2.71,380 5.676,381 1.775,382 2.933,383 2.021,384 4.361,385 2.43,386 1.512,387 2.05,389 3.838,390 1.382,391 2.756,392 1.451,393 4.25,394 2.202,395 1.259,396 1.858,398 3.451,399 1.181,400 2.189,401 1.191,402 3.65,403 1.673,404 0.77,405 1.065,407 2.14,408 0.695,409 1.928,410 1,411 3.172,412 1.587,413 0.69,414 0.833,415 1.291,416 0.613,417 1.508,418 0.952,419 2.902,420 1.213,421 0.357,422 0.396,423 0.505,424 0.303,425 1.133,426 0.824,427 2.671,428 0.67,429 -0.246,430 -0.327,431 -0.629,432 -0.224,433 1,434 0.047,435 2.443,436 0.497,437 -0.443,438 -0.57,439 -0.972,440 -0.414,441 0.915,442 -0.066,443 2.36,444 0.355,445 -0.551,446 -0.659,448 -1.255,449 -0.498,450 0.752,451 -0.243,452 2.2,453 0.351,454 -0.561,455 -0.681,457 -1.332,458 -0.502,459 10.633,460 0.443,461 0.716,462 0.03,463 36.25,464 1.51,465 19,466 0.792,467 17.25,468 0.719,469 15.039,470 0.627,471 26.567,472 0.718,473 28.726,474 1.197,475 7.438,476 0.31,477 4.018,478 0.167,479 0.232,481 0.461,485 0.826,486 1.415,487 0.675,488 1.056,489 0.762,490 0.832,491 0.919,492 0.915,493 0.593,494 0.761,495 0.486,496 0.618,497 0.874,498 1.327,499 0.73,500 1.087,501 0.7,502 0.881,503 0.848,504 1.257,505 0.858,506 1.363,507 0.799,508 1.169,509 1.154,510 0.897,511 1.244,512 0.947,513 1.106,514 1.085,515 1.179,516 1.003,517 1.066,518 1.072,519 1.603,520 1.062,521 1.146,522 0.943,523 0.982,524 0.839,525 1.379,526 0.851,527 0.784,528 0.98,529 1.006,530 1.121,531 0.81,532 1.124,533 5.5,534 0.037,535 3.111,536 2.569,537 2.259,538 1.084,539 0.573,540 0.475,541 0.34,542 0.125,543 5271,544 20238,545 1.991,546 35.1,548 8,551 5,555 1.676,556 1.8,557 3.069,558 2.825,560 1,562 1,564 68.887,565 1.862,566 3.97,567 4.358,568 4.574,569 4.628,570 4.79,571 2.471,572 4.168,573 4.558,574 3.186,575 879.418,576 7.901,577 9916.2,578 1,579 1,582 192.75,583 1.555,584 4.478,585 0.212,586 0.007,587 0.082,588 0.061,589 0.053,590 0.031,591 0.02,592 0.019,593 0.016,594 0.01,595 0.511,596 0.17,597 0.88,598 1.066,599 111.147,600 -0.077,601 -0.147,602 0.012,604 -0.162,605 0.045,606 0.019,607 0.192,608 0.25,609 0.292,610 0.209,611 0.326,612 -0.048,613 -0.115,614 0.01,615 -0.065,616 -0.07,617 -0.007,618 0.101,619 -0.118,620 -0.061,621 -0.343,622 0.072,623 -0.282,624 -0.058,625 0.071,626 -0.276,627 -0.023,628 -0.014,629 -0.178,630 -0.139,631 -0.144,632 -0.001,633 -0.051,634 -0.24,635 -0.001,636 -0.107,637 -0.054,638 0.077,639 0.08,640 -0.158,641 0.13,642 0.204,643 -0.009,644 -0.021,645 -0.223,646 0.241,647 -0.201,648 2.576,649 4.535,650 0.625,651 17.417,652 1.045,653 1.151,654 1.698,655 2.884,656 0.652,657 3.296,658 3.664,659 3.989,660 4.317,661 4.522,662 4.625,663 4.745,664 4.883,665 4.913,666 4.883,667 5.139,668 0.665,669 331.33,670 3.296,671 4.86,672 5.74,673 6.655,674 7.556,675 8.475,676 9.384,677 10.303,678 11.215,679 12.135,680 18.9,684 2,688 1,690 3,691 1,694 2,695 2,696 3,697 1,700 7,702 16,711 2,713 1,716 2,718 37,719 18,720 1,721 26,723 39,724 13,725 11,726 4,727 2,729 3,730 4,741 11,742 2,744 2,746 1,748 2,753 1,754 1,757 13,758 9,759 5,760 11,763 1,764 7,769 0.667,770 4,776 1,780 1,781 2,784 1,802 2,806 2,810 24,811 2,818 2,829 10.8,834 2,835 2,836 13.333,837 7.3,838 5.361,839 1.778,840 3.406,841 1.476,842 0.981,843 4.129,844 10.555,845 3.611,846 4.314,847 4.969,848 5.647,849 6.213,850 6.627,851 7.091,852 7.565,853 7.885,854 8.205,855 0.833,856 42,857 8.792,859 3.808,860 8.229,861 15.696,863 12.299,865 2.729,866 65.5,870 94.169,871 67.562,872 138.607,874 72.747,877 67.562,878 166.916,879 138.607,880 27.436,882 84.747,883 54.4,884 57.359,885 4.227,886 94.169,887 50.747,888 94.169,889 206.169,890 72.747,893 94.169,894 22,895 50.747,897 24.872,898 125.27,899 56.027,901 94.169,902 211.353,903 67.562,906 94.169,907 26.844,908 46.389,909 16.786,910 188.898,911 94.169,912 211.353,913 67.562,915 0.587,916 0.365,917 0.215,918 0.115,919 19,920 10,921 0.103,922 4,923 1,924 1.133,925 3.361,926 204.399,927 0.133,928 15,929 108.039,933 16.229,934 6.105,935 2.715,936 0.544,937 188.898,938 3.03,939 12.023,940 2.855,943 0.333,945 82.58,946 373.084,947 36,949 -0.576,951 23.07,956 38.673,957 42.571,958 0.357,959 0.762,960 0.837,961 0.878,962 0.888,963 0.92,964 4.86,965 1.259,966 5.765,967 3.838,968 4.344,969 5.001,970 2.719,971 6.655,972 4.216,973 6.125,974 0.77,975 7.378,976 3.451,977 4.111,978 5.075,979 2.361,980 7.716,981 3.947,982 7.48,983 0.69,984 9.09,985 2.14,986 6.014,987 7.356,988 4.188,989 10.849,990 5.783,991 8.874,992 0.357,993 10.857,994 1.291,995 6.567,996 8.213,997 4.506,998 12.718,999 6.297,1000 10.297,1001 -0.246,1002 12.659,1003 0.505,1004 7.988,1005 10.011,1006 5.952,1007 15.389,1008 7.667,1009 11.74,1010 -0.443,1011 14.486,1012 -0.629,1013 8.887,1014 11.22,1015 6.556,1016 17.589,1017 8.525,1018 13.2,1019 -0.551,1020 16.332,1021 -0.972,1022 10.137,1023 12.839,1024 7.795,1025 20.105,1026 9.73,1027 3.277,1028 -0.561,1029 18.191,1030 -1.255,1031 11.188,1032 14.209,1033 8.548,1034 22.444,1035 10.739,1036 3.066,1037 11.717,1038 20.062,1039 -1.332,1040 12.378,1041 15.758,1042 9.67,1043 24.907,1044 11.887,1045 2.536,1046 10.311,1047 21.941,1048 4.591,1049 13.494,1050 17.202,1051 10.509,1052 27.305,1053 12.96,1054 2.261,1055 8.463,1056 23.828,1057 4.322,1058 14.665,1059 18.724,1060 11.563,1061 29.753,1062 14.09,1063 2.064,1064 6.688,1065 25.721,1066 3.326,1067 15.811,1068 20.202,1069 12.452,1070 32.177,1071 15.193,1072 1.913,1073 5.882,1074 27.619,1075 3.264,1076 16.978,1077 21.715,1078 13.468,1079 34.621,1080 16.319,1081 1.512,1082 5.676,1083 29.521,1084 2.833,1085 18.137,1086 23.209,1087 14.386,1088 37.059,1089 17.436,1090 5317,1091 10547,1092 16.531,1093 24.142,1094 39.497,1095 41.44,1096 42.449,1097 39.322,1098 39.416,1099 54.495,1100 8.665,1101 119.923,1102 36.749,1103 5.369,1104 5.851,1105 6.496,1106 5.31,1107 5.277,1108 7.591,1109 4.612,1110 19.174,1111 5.143,1112 14.857,1113 1.519,1114 1.594,1115 1.633,1116 1.512,1117 1.516,1118 2.096,1119 0.333,1120 4.612,1121 1.413,1122 4.126,1123 4.17,1124 4.111,1125 3.962,1126 7.815,1127 3.992,1128 3.926,1129 3.951,1130 3.91,1131 3.75,1132 6.999,1133 3.782,1134 3.51,1135 3.528,1136 3.483,1137 3.133,1138 5.346,1139 3.182,1140 3.397,1141 3.475,1142 3.339,1143 3.051,1144 4.992,1145 3.141,1146 3.236,1147 3.306,1148 3.043,1149 2.925,1150 4.927,1151 2.945,1152 3.17,1153 3.25,1154 2.992,1155 2.873,1156 4.803,1157 2.888,1158 3.088,1159 3.211,1160 2.961,1161 2.754,1162 4.491,1163 2.795,1164 2.682,1165 2.756,1166 2.536,1167 2.526,1168 4.264,1169 2.518,1170 0.18,1171 0.148,1172 0.267,1173 0.163,1174 0.126,1175 4.681,1176 0.177,1177 3.851,1178 0.1,1179 6.948,1180 0.451,1181 4.236,1182 0.121,1183 3.277,1184 4.591,1185 2.612,1186 11.717,1187 3.143,1188 1.92,1189 1.906,1190 1.975,1191 2.096,1192 1.114,1193 2.045,1194 1.781,1195 1.733,1196 1.819,1197 2,1198 0.82,1199 1.954,1200 1.341,1201 1.29,1202 1.582,1203 1.7,1204 0.586,1205 1.61,1206 1.232,1207 1.19,1208 1.576,1209 1.633,1210 0.575,1211 1.581,1212 1.155,1213 1.078,1214 1.377,1215 1.516,1216 0.373,1217 1.524,1218 1.108,1219 1.027,1220 1.267,1221 1.411,1222 0.138,1223 1.419,1224 0.998,1225 0.896,1226 1.247,1227 1.376,1229 1.358,1230 0.796,1231 0.69,1232 1.063,1233 1.168,1235 1.149,1236 3.97,1238 5.323,1239 2.398,1240 6.878,1241 4.727,1242 8.534,1243 6.862,1244 10.243,1246 2.707,1250 11.295,1254 10.22,1262 24.589,1263 68.887,1264 146.875,1265 161.24,1266 169.24,1267 171.24,1268 177.24,1269 48.151,1270 7.149,1271 170.78,1272 170.78,1273 17,1274 12.645,1275 4.248,1276 3.459,1277 38.98,1278 73,1279 71,1280 0.269,1281 153.417,1282 254.72,1283 366.096,1284 10341,1286 17.43,1287 0.726,1288 0.53,1289 17.43,1290 12.731,1291 11.456,1292 0.441,1293 0.256,1294 6.435,1295 10.593,1296 6.297,1297 5.252,1298 11.456,1299 6.643,1300 10.512,1301 0.277,1302 0.124,1303 10.512,1304 4.704,1305 8.832,1306 0.167,1307 0.063,1308 8.832,1309 3.346,1310 8.038,1311 0.109,1312 0.032,1313 8.038,1314 2.35,1315 6.236,1316 0.069,1317 0.016,1318 6.236,1319 1.472,1320 0.405,1321 75.075,1322 0.246,1323 22.689,1324 0.797,1325 128,1326 508.48,1327 150.535,1328 478.235,1329 642.89,1330 442,1331 155,1332 481.85,1333 178.232,1334 478.991,1335 700.69,1336 445,1337 4.602}
{0 CHEMBL591930,1 1.377,2 10.292,3 4.371,4 19.108,5 99.843,6 6.84,7 0.593,8 3.945,9 4.092,10 3.445,11 3.498,12 4.971,13 3.46,14 4.491,15 4.682,16 3.812,17 3.936,18 5.462,19 3.856,20 4.764,21 5.003,22 3.835,23 4.07,24 5.601,25 3.957,26 4.796,27 5.036,28 3.764,29 4.055,30 5.69,31 3.912,32 4.836,33 5.117,34 3.446,35 3.954,36 5.626,37 3.769,38 4.735,39 5.056,40 3.251,41 3.786,42 5.373,43 3.573,44 4.47,45 4.77,46 3.275,47 3.62,48 5.214,49 3.466,50 4.339,51 4.605,52 3.384,53 3.582,54 5.182,55 3.47,56 0.068,57 0.74,58 10.787,59 4.073,60 9.823,61 5.968,62 0.21,63 1.192,64 19.234,65 7.935,66 22.229,67 11.263,68 0.162,69 1.432,70 26.079,71 9.735,72 19.988,73 14.532,74 0.265,75 1.46,76 27.029,77 10.474,78 32.23,79 15.312,80 0.282,81 1.402,82 29.156,83 9.576,84 35.476,85 14.814,86 0.208,87 1.165,88 26.73,89 9.559,90 24.745,91 14.559,92 0.163,93 0.953,94 20.24,95 7.093,96 20.713,97 10.829,98 0.111,99 0.899,100 17.304,101 6.193,102 16.455,103 9.41,104 5,105 38,106 0.235,107 0.576,108 0.708,109 0.781,110 0.854,111 0.876,112 3.228,113 0.967,114 -5.44,115 -5.32,116 -4.97,119 40.4,121 7,139 3,140 5,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 16,169 1,170 2,172 3,173 4,175 3,178 20,180 1,182 2,187 2,189 20,191 1,193 2,195 1,196 2,197 3,198 3,200 4,201 16,204 2,205 1,207 2,212 3,215 12,218 2,221 2,226 3,229 9,231 2,234 2,239 4,241 7,243 2,246 4,251 6,254 4,256 3,260 6,265 7,268 1,270 4,273 714,274 16.499,275 16.499,276 16.499,277 16.499,278 16.499,279 14.521,280 17.741,281 9.751,282 16.733,283 13.353,284 13.353,285 13.353,286 13.353,287 13.353,288 10.302,289 15.174,290 4.605,291 13.743,292 4.178,293 2.179,294 1.41,295 0.979,296 0.553,297 0.426,298 3.93,301 1,302 1,303 549,304 2.646,306 47.893,307 174.792,310 90.164,311 98.514,314 1.375,315 14.839,317 1,318 0.75,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.86,326 50.5,327 247,328 4.638,329 3.269,330 6.78,331 4.155,332 3.188,333 4.608,335 11.107,336 3.088,337 4.374,338 3.247,339 6.505,340 4.029,341 3.029,342 4.024,344 10.194,345 3.028,346 3.71,347 2.516,348 5.309,349 3.283,350 2.345,351 3.155,353 6.702,354 2.208,355 3.409,356 2.395,357 5.201,358 3.123,359 2.129,360 2.789,362 6.246,363 2.107,364 3.388,365 2.067,366 5.063,367 2.9,368 1.98,369 2.631,371 5.791,372 1.818,373 3.071,374 1.955,375 4.767,376 2.729,377 1.769,378 2.242,380 5.012,381 1.692,382 2.947,383 1.785,384 4.174,385 2.618,386 1.618,387 2.115,389 3.813,390 1.618,391 2.435,392 1.396,393 3.615,394 2.287,395 1.288,396 1.429,398 2.896,399 1.286,400 2.377,401 1.241,402 3.589,403 2.176,404 1.183,405 1.353,407 2.625,408 1.174,409 2.231,410 0.944,411 3.497,412 1.822,413 0.858,414 1.156,415 2.098,416 0.824,417 1.921,418 0.819,419 3.225,420 1.712,421 0.75,422 0.861,423 1.785,424 0.721,425 1.267,426 0.239,427 2.747,428 1.034,429 0.051,430 0.059,431 0.127,432 0.05,433 1.075,434 -0.128,435 2.651,436 0.663,437 -0.278,438 -0.353,439 -0.724,440 -0.261,441 0.859,442 -0.293,443 2.352,444 0.478,445 -0.464,446 -0.574,448 -1.165,449 -0.432,450 0.669,451 -0.434,452 2.239,453 0.382,454 -0.618,455 -0.724,457 -1.478,458 -0.601,459 11.5,460 0.479,461 0.538,462 0.022,463 30.5,464 1.271,465 15,466 0.625,467 15.5,468 0.646,469 20.451,470 0.852,471 25.7,472 0.547,473 18.872,474 0.786,475 5.415,476 0.226,477 6.305,478 0.263,479 0.07,481 0.348,485 1.16,486 1.162,487 0.909,488 0.958,489 1.201,490 0.915,491 0.407,492 0.965,493 0.861,494 1.066,495 0.359,496 1.022,497 0.812,498 1.099,499 0.926,500 1.055,501 0.716,502 1.011,503 0.517,504 1.126,505 1.059,506 1.275,507 0.553,508 1.235,509 1.303,510 0.98,511 1.284,512 1.117,513 1.308,514 1.185,515 0.686,516 0.796,517 0.873,518 0.895,519 0.673,520 0.903,521 0.81,522 0.787,523 0.807,524 0.796,525 0.829,526 0.8,527 0.729,528 1.039,529 0.75,530 0.909,531 0.689,532 0.845,533 4,534 0.103,535 2.667,536 2.035,537 1.165,538 0.431,539 0.222,540 0.256,541 0.198,542 0.175,543 7018,544 14931,545 2.161,546 48.9,547 14,548 3,549 1,551 5,555 1.665,556 2.057,557 3.302,558 2.578,560 1,564 64.703,565 1.377,566 3.375,567 4.145,568 4.576,569 5.001,570 5.129,571 2.674,572 4.168,573 4.564,574 3.453,575 953.109,576 7.849,577 11372.7,579 1,581 1,582 261.066,583 1.281,584 4.532,585 0.148,586 0.006,587 0.07,588 0.054,589 0.035,590 0.02,591 0.012,592 0.012,593 0.008,594 0.008,595 0.373,597 0.88,598 0.49,599 114.699,600 -0.148,601 0.074,602 0.032,603 0.114,604 -0.132,605 0.096,606 0.397,607 0.15,608 0.075,609 0.007,610 0.342,611 0.006,612 -0.009,613 -0.086,614 0.026,615 -0.021,616 0.011,617 0.001,618 0.277,619 -0.121,620 -0.112,621 -0.246,622 0.236,623 -0.225,624 -0.275,625 -0.015,626 -0.302,627 -0.16,628 -0.274,629 -0.222,630 0.031,631 0.04,632 0.1,633 0.091,634 0.027,635 0.101,636 0.011,637 0.111,638 0.17,639 0.191,640 0.02,641 0.197,642 0.099,643 -0.079,644 0.217,645 0.1,646 0.124,647 0.16,648 1.454,649 2.025,650 0.792,651 17.25,652 0.989,653 1.133,654 4.207,655 17.7,656 0.657,657 3.332,658 3.664,659 3.97,660 4.277,661 4.431,662 4.443,663 4.477,664 4.564,665 4.605,666 4.585,667 6.093,668 0.614,669 321.47,670 3.332,671 4.875,672 5.74,673 6.629,674 7.506,675 8.4,676 9.28,677 10.174,678 11.056,679 11.951,680 10.6,684 2,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,718 47,719 16,720 1,721 27,723 50,724 19,725 12,726 3,727 3,729 4,730 6,736 4,739 7,741 12,742 7,754 1,757 23,758 4,759 5,760 5,764 5,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,810 24,811 2,816 7,836 11.667,837 8.15,838 5.222,839 3.047,840 3.221,841 1.431,842 1.047,843 4.151,844 10.688,845 3.584,846 4.23,847 4.868,848 5.493,849 5.947,850 6.191,851 6.44,852 6.736,853 6.75,854 6.808,855 0.857,856 38,857 8.868,859 3.797,860 7.514,861 17.528,863 15.007,865 2.014,866 48.333,869 1,870 211.88,871 76.475,872 116.151,877 76.475,878 211.88,879 116.151,881 17.742,882 103.271,883 35.286,884 32.101,885 15.998,886 200.109,888 211.88,889 192.626,893 211.88,897 38.142,898 120.914,899 33.571,901 211.88,902 116.151,903 76.475,906 211.88,907 38.999,908 37.476,909 16.786,910 99.365,911 211.88,912 116.151,913 76.475,915 0.581,916 0.349,917 0.205,918 0.103,919 20,920 8,921 0.08,922 4,923 2,924 1.211,925 3.71,926 198.337,927 0.211,928 19,929 110.039,933 15.462,934 6.443,935 3.018,936 1.645,937 99.365,938 8.771,939 8.295,940 3.157,943 6.514,945 82.58,946 404.506,947 35,956 46.461,957 53.228,958 0.248,959 0.608,960 0.746,961 0.824,962 0.9,963 0.923,964 4.82,965 1.288,966 5.72,967 3.813,968 4.344,969 4.916,971 6.55,972 4.29,973 6.033,974 1.183,975 7.284,976 2.896,977 3.892,978 4.808,980 7.489,981 3.809,982 7.354,983 0.858,984 8.952,985 2.625,986 5.943,987 7.2,989 10.627,990 5.845,991 8.716,992 0.75,993 10.684,994 2.098,995 6.347,996 7.967,998 12.447,999 6.23,1000 10.115,1001 0.051,1002 12.459,1003 1.785,1004 7.85,1005 9.825,1007 15.09,1008 7.719,1009 11.54,1010 -0.278,1011 14.264,1012 0.127,1013 8.663,1014 10.995,1016 17.257,1017 8.515,1018 12.985,1019 -0.464,1020 16.091,1021 -0.724,1022 9.944,1023 12.643,1025 19.733,1026 9.781,1027 3.188,1028 -0.618,1029 17.934,1030 -1.165,1031 10.944,1032 14,1034 22.035,1035 10.763,1036 3.029,1037 11.107,1038 19.79,1039 -1.478,1040 12.138,1041 15.564,1043 24.453,1044 11.939,1045 2.345,1046 10.194,1047 21.656,1048 4.608,1049 13.219,1050 17.006,1052 26.807,1053 13.001,1054 2.129,1055 6.702,1056 23.529,1057 4.024,1058 14.38,1059 18.537,1061 29.205,1062 14.142,1063 1.98,1064 6.246,1065 25.408,1066 3.155,1067 15.497,1068 20.019,1070 31.58,1071 15.237,1072 1.769,1073 5.791,1074 27.292,1075 2.789,1076 16.646,1077 21.539,1079 33.972,1080 16.365,1081 1.618,1082 5.012,1083 29.18,1084 2.631,1085 17.778,1086 23.039,1088 36.356,1089 17.473,1090 6538,1091 9698,1092 18.493,1093 30.881,1094 40.482,1095 40.619,1096 41.524,1097 40.446,1098 40.377,1099 52.842,1101 116.792,1102 39.228,1103 5.584,1104 5.269,1105 6.469,1106 5.227,1107 5.188,1108 7.608,1110 17.997,1111 5.088,1112 8.821,1113 1.499,1114 1.504,1115 1.538,1116 1.498,1117 1.495,1118 1.957,1120 4.326,1121 1.453,1122 4.118,1123 4.163,1124 4.085,1125 4.005,1126 5.321,1127 4.013,1128 4.01,1129 4.042,1130 3.943,1131 3.936,1132 4.981,1133 3.94,1134 3.602,1135 3.669,1136 3.461,1137 3.477,1138 4.772,1139 3.462,1140 3.476,1141 3.545,1142 3.358,1143 3.334,1144 4.714,1145 3.327,1146 3.345,1147 3.43,1148 3.215,1149 3.121,1150 4.124,1151 3.143,1152 3.121,1153 3.222,1154 2.987,1155 2.952,1156 4.067,1157 2.939,1158 3.078,1159 3.182,1160 2.902,1161 2.768,1162 3.966,1163 2.804,1164 2.843,1165 2.946,1166 2.618,1167 2.653,1168 3.718,1169 2.634,1170 0.172,1171 0.121,1172 0.251,1173 0.154,1174 0.118,1175 4.638,1176 0.171,1177 3.269,1179 6.78,1180 0.411,1181 4.155,1182 0.114,1183 3.188,1184 4.608,1186 11.107,1187 3.088,1188 2.019,1189 1.991,1190 2.152,1191 2.097,1192 1.463,1193 2.117,1194 1.842,1195 1.806,1196 1.953,1197 2.012,1198 1.277,1199 1.979,1200 1.657,1201 1.594,1202 1.82,1203 1.845,1204 1.001,1205 1.86,1206 1.535,1207 1.477,1208 1.739,1209 1.696,1210 0.842,1211 1.718,1212 1.339,1213 1.273,1214 1.561,1215 1.555,1216 0.763,1217 1.565,1218 1.132,1219 1.051,1220 1.451,1221 1.384,1222 0.632,1223 1.392,1224 1.015,1225 0.919,1226 1.282,1227 1.342,1228 0.351,1229 1.357,1230 0.892,1231 0.778,1232 1.237,1233 1.227,1234 0.322,1235 1.246,1236 4.007,1238 5.333,1239 2.398,1240 6.862,1241 4.727,1242 8.491,1243 6.843,1244 10.172,1250 11.678,1252 8.273,1262 28.848,1263 64.703,1264 158.643,1265 194.801,1266 215.066,1267 235.066,1268 241.066,1269 29.851,1270 7.467,1271 93.61,1272 93.61,1273 23,1274 12.479,1275 4.087,1276 3.17,1277 34.053,1278 91,1279 74,1280 0.186,1281 176.931,1282 291.64,1283 423.472,1284 19245,1286 16.518,1287 0.688,1288 0.575,1289 16.518,1290 13.808,1291 11.72,1292 0.434,1293 0.322,1294 8.64,1295 11.455,1296 8.47,1297 7.004,1298 11.72,1299 8.707,1300 10.559,1301 0.278,1302 0.174,1303 10.559,1304 6.62,1305 9.006,1306 0.173,1307 0.097,1308 9.006,1309 5.044,1310 8.216,1311 0.116,1312 0.055,1313 8.216,1314 3.906,1315 6.231,1316 0.075,1317 0.033,1318 6.231,1319 2.733,1320 0.295,1321 72.17,1322 0.233,1323 23.51,1324 0.502,1325 130,1326 288.248,1327 138.159,1328 293.225,1329 418.88,1330 276,1331 155,1332 327.296,1333 162.66,1334 335.166,1335 493.39,1336 318,1337 5.822}
{0 CHEMBL591935,1 1.709,2 11.615,3 3.667,4 13.445,5 104.936,6 8.678,7 0.759,8 3.873,9 3.973,10 3.613,11 3.478,12 5.086,13 3.458,14 4.319,15 4.435,16 3.974,17 3.845,18 5.539,19 3.797,20 4.493,21 4.647,22 3.982,23 3.898,24 5.591,25 3.828,26 4.493,27 4.658,28 3.974,29 3.836,30 5.655,31 3.746,32 4.446,33 4.642,34 3.75,35 3.78,36 5.493,37 3.674,38 4.392,39 4.597,40 3.67,41 3.788,42 5.336,43 3.65,44 4.322,45 4.515,46 3.668,47 3.683,48 5.352,49 3.571,50 4.256,51 4.459,52 3.473,53 3.522,54 5.308,55 3.419,56 0.076,57 0.627,58 7.065,59 3.6,60 11.311,61 3.854,62 0.229,63 0.974,64 14.363,65 6.637,66 21.542,67 7.148,68 0.25,69 1.121,70 19.214,71 7.796,72 22.884,73 8.143,74 0.443,75 1.106,76 21.92,77 8.307,78 38.233,79 8.864,80 0.373,81 1.087,82 20.265,83 6.868,84 36.362,85 7.687,86 0.182,87 0.966,88 19.746,89 8.246,90 20.855,91 9.938,92 0.186,93 0.927,94 18.3,95 7.17,96 20.992,97 8.392,98 0.314,99 0.867,100 18.963,101 6.576,102 25.805,103 7.357,104 5,105 40,106 0.294,107 0.61,108 0.71,109 0.824,110 0.86,111 0.871,112 3.304,113 0.923,114 -4.97,115 -4.88,116 -4.57,119 45.2,125 1,139 9,140 2,141 3,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 7,169 2,170 8,172 3,173 3,175 1,178 10,180 1,182 5,187 1,189 5,191 1,192 1,193 4,195 3,196 3,197 1,198 1,200 2,201 7,204 1,205 1,207 2,212 2,215 9,218 2,221 3,229 10,234 6,239 3,241 6,243 3,245 1,246 3,251 1,254 4,256 1,259 2,260 2,262 1,263 1,265 3,268 4,270 3,273 976,274 17.809,275 17.809,276 17.809,277 17.809,278 17.809,279 15.107,280 18.074,281 10.661,282 18.293,283 14.371,284 14.371,285 14.371,286 14.371,287 14.371,288 10.381,289 22.696,290 5.127,291 15.194,292 3.684,293 1.851,294 1.269,295 0.607,296 0.399,297 0.333,298 4.005,300 1,301 1,302 1,303 665,304 2.646,306 56.614,307 238.438,310 106.19,314 1.722,315 19.968,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 56,327 302,328 4.638,329 4.439,330 6.78,331 4.163,332 3.188,333 4.608,334 3.272,335 11.107,336 3.111,337 4.114,338 3.293,339 5.685,340 3.687,341 2.755,342 3.708,343 0.86,344 8.014,345 2.559,346 3.855,347 3.059,348 5.358,349 3.408,350 2.469,351 3.408,353 6.989,354 2.324,355 3.706,356 2.809,357 5.276,358 3.257,359 2.324,360 3.154,362 6.654,363 2.159,364 3.408,365 2.358,366 5.063,367 2.929,368 2,369 2.79,371 5.792,372 1.867,373 3.335,374 2.254,375 4.863,376 2.908,377 1.978,378 2.599,380 5.581,381 1.803,382 3.044,383 2.065,384 4.737,385 2.658,386 1.703,387 2.221,389 4.932,390 1.617,391 2.867,392 1.646,393 3.602,394 2.397,395 1.422,396 2.024,398 3.05,399 1.379,400 2.664,401 1.535,402 3.589,403 2.177,404 1.194,405 1.74,407 2.632,408 1.169,409 2.5,410 1.275,411 3.49,412 2,413 1,414 1.5,415 2.136,416 1,417 2.304,418 1,419 3.247,420 1.829,421 0.857,422 1.22,423 2.114,424 0.829,425 1.795,426 0.856,427 3.209,428 1.431,429 0.573,430 0.68,431 1.425,432 0.478,433 1.293,434 0.507,435 2.793,436 0.918,441 1.117,442 0.293,443 2.684,444 0.693,445 -0.225,446 -0.285,448 -0.602,449 -0.206,450 0.904,451 -0.028,452 2.474,453 0.474,454 -0.447,455 -0.568,457 -1.154,458 -0.407,459 12.6,460 0.485,461 0.571,462 0.022,463 39,464 1.5,465 22,466 0.846,467 17,468 0.654,469 17.148,470 0.66,471 26.4,472 0.629,473 26.413,474 1.016,475 7.633,476 0.294,477 5.054,478 0.194,479 0.063,481 0.317,485 1.01,486 0.995,487 0.717,488 0.804,489 1.217,490 0.75,491 0.803,492 0.908,493 0.977,494 1.077,495 0.54,496 0.937,497 1.325,498 1.119,499 1.145,500 1.097,501 1.074,502 1.013,503 0.996,504 1.036,505 1.147,506 1.213,507 0.754,508 1.084,509 1.315,510 0.87,511 1.204,512 0.966,513 1.478,514 1.023,515 0.633,516 0.909,517 1.014,518 1.058,519 0.628,520 1.027,521 0.84,522 1.103,523 1.074,524 1.166,525 0.771,526 1.067,527 1.002,528 1.088,529 1.329,530 1.209,531 1.017,532 1.079,533 5,534 0.139,535 2,536 1.91,537 1.223,538 0.441,539 0.455,540 0.187,541 0.22,542 0.134,543 8958,544 25900,545 2.148,546 38.1,548 11,549 1,551 4,555 1.687,556 2.053,557 3.489,558 1.735,560 1,564 71.767,565 1.709,566 3.541,567 4.124,568 4.785,569 4.993,570 5.059,571 2.936,572 4.316,573 4.675,574 3.648,575 1185.7,576 8.076,577 15174,578 1,579 1,581 1,582 226.477,583 1.239,584 4.65,585 0.172,586 0.008,587 0.05,588 0.05,589 0.036,590 0.016,591 0.016,592 0.007,593 0.01,594 0.007,595 0.372,597 1,598 0.465,599 128.852,600 -0.137,601 0.069,602 0.038,603 0.087,604 -0.284,605 0.081,606 0.181,607 0.122,608 -0.011,609 -0.057,610 0.252,611 -0.042,612 -0.197,613 -0.109,614 -0.095,615 -0.061,616 -0.176,617 -0.084,618 0.201,619 -0.044,620 0.016,621 -0.114,622 0.271,623 -0.116,624 -0.283,625 0.151,626 -0.155,627 0.044,628 -0.403,629 -0.062,630 0.027,631 -0.013,632 0.051,633 0.03,634 0.033,635 0.052,636 -0.013,637 -0.161,638 0.015,639 -0.089,640 0.048,641 -0.035,642 0.041,643 -0.102,644 -0.173,645 -0.131,646 -0.054,647 -0.071,648 1.561,649 2.373,650 0.808,651 23.006,652 1.01,653 1.115,654 3.744,655 14.018,656 0.718,657 3.401,658 3.714,659 3.97,660 4.263,661 4.419,662 4.443,663 4.511,664 4.615,665 4.654,666 4.691,667 6.743,668 0.687,669 364.46,670 3.401,671 4.934,672 5.778,673 6.653,674 7.509,675 8.39,676 9.253,677 10.138,678 11.005,679 11.892,680 9.5,684 2,690 2,694 2,695 10,696 2,698 1,700 6,702 22,711 2,716 1,718 42,719 22,720 2,721 29,723 45,724 19,725 18,726 3,727 9,729 4,730 5,741 18,742 1,753 1,754 1,756 1,757 16,758 6,759 4,760 7,761 1,764 4,769 0.75,770 2,776 1,780 1,781 3,784 1,802 3,803 1,804 1,810 26,811 2,816 1,818 1,819 1,829 4.8,834 2,836 12.667,837 7.4,838 5.667,839 2.235,840 4.151,841 1.552,842 1.035,843 4.797,844 11.674,845 3.714,846 4.36,847 4.965,848 5.589,849 6.071,850 6.283,851 6.607,852 6.998,853 7.16,854 7.403,855 0.875,856 38,857 9.52,859 4.03,860 7.718,861 18.047,863 14.625,865 2.218,866 57.667,869 1,870 141.253,871 156.575,872 99.365,874 20.507,876 32.22,877 124.356,878 161.76,879 99.365,881 0.9,882 162.82,883 37.978,884 38.303,885 15.998,886 161.702,888 141.253,889 223.721,890 20.507,891 32.22,893 141.253,894 20.507,897 7.206,898 182.944,899 33.571,900 32.22,901 141.253,902 119.873,903 156.575,906 141.253,907 59.55,908 97.026,910 119.873,911 141.253,912 119.873,913 156.575,915 0.577,916 0.331,917 0.189,918 0.098,919 20,920 8,921 0.111,922 5,923 1,924 1.095,925 3.942,926 215.902,927 0.095,928 21,929 118.211,930 1,933 16.91,934 7.376,935 3.855,936 1.121,937 119.873,938 19.252,939 8.07,941 5.453,943 4.027,945 65.794,946 417.701,947 40,956 42.44,957 46.823,958 0.317,959 0.657,960 0.765,961 0.887,962 0.926,963 0.938,964 4.924,965 1.422,966 5.746,967 4.932,968 4.394,969 5.047,970 3.174,971 6.529,972 4.287,973 6.138,974 1.194,975 7.279,976 3.05,977 3.892,978 4.808,980 7.349,981 3.724,982 7.442,983 1,984 8.909,985 2.632,986 5.953,987 7.3,988 5.444,989 10.468,990 5.752,991 8.783,992 0.857,993 10.601,994 2.136,995 6.275,996 7.919,998 12.188,999 6.031,1000 10.157,1001 0.573,1002 12.334,1003 2.114,1004 7.792,1005 9.857,1006 7.807,1007 14.823,1008 7.523,1009 11.555,1011 14.098,1012 1.425,1013 8.525,1014 10.919,1016 16.948,1017 8.23,1018 12.974,1019 -0.225,1020 15.888,1022 9.812,1023 12.615,1024 10.177,1025 19.425,1026 9.495,1027 3.188,1028 -0.447,1029 17.699,1030 -0.602,1031 10.756,1032 13.911,1034 21.721,1035 10.421,1036 2.755,1037 11.107,1038 19.527,1039 -1.154,1040 11.947,1041 15.501,1042 12.548,1043 24.148,1044 11.594,1045 2.469,1046 8.014,1047 21.37,1048 4.608,1049 12.996,1050 16.915,1052 26.512,1053 12.627,1054 2.324,1055 6.989,1056 23.225,1057 3.708,1058 14.152,1059 18.461,1060 14.919,1061 28.924,1062 13.766,1063 2,1064 6.654,1065 25.091,1066 3.408,1067 15.251,1068 19.933,1070 31.314,1071 14.85,1072 1.978,1073 5.792,1074 26.966,1075 3.154,1076 16.398,1077 21.463,1078 17.29,1079 33.722,1080 15.979,1081 1.703,1082 5.581,1083 28.848,1084 2.79,1085 17.523,1086 22.963,1088 36.122,1089 17.087,1090 8372,1091 14406,1092 19.879,1093 30.148,1094 43.357,1095 46.032,1096 43.66,1097 43.01,1098 42.926,1099 59.301,1100 8.265,1101 120.851,1102 40.589,1103 5.482,1104 6.439,1105 6.582,1106 5.291,1107 5.188,1108 7.608,1109 6.545,1110 17.998,1111 5.111,1112 9.395,1113 1.495,1114 1.587,1115 1.506,1116 1.483,1117 1.48,1118 2.045,1119 0.285,1120 4.167,1121 1.4,1122 4.084,1123 4.103,1124 4.119,1125 3.961,1126 5.362,1127 3.971,1128 3.936,1129 3.953,1130 3.951,1131 3.852,1132 4.984,1133 3.856,1134 3.81,1135 3.838,1136 3.8,1137 3.769,1138 4.947,1139 3.753,1140 3.428,1141 3.493,1142 3.493,1143 3.262,1144 4.931,1145 3.247,1146 3.104,1147 3.197,1148 3.256,1149 2.969,1150 4.668,1151 2.932,1152 3.061,1153 3.114,1154 2.962,1155 2.816,1156 4.185,1157 2.822,1158 2.98,1159 3.015,1160 2.894,1161 2.735,1162 4.138,1163 2.775,1164 2.854,1165 2.925,1166 2.687,1167 2.728,1168 3.86,1169 2.715,1170 0.16,1171 0.153,1172 0.234,1173 0.144,1174 0.11,1175 4.638,1176 0.159,1177 4.439,1178 0.113,1179 6.78,1180 0.383,1181 4.163,1182 0.107,1183 3.188,1184 4.608,1185 3.272,1186 11.107,1187 3.111,1188 1.91,1189 1.894,1190 2.012,1191 2.006,1192 1.129,1193 2.01,1194 1.84,1195 1.814,1196 1.935,1197 1.99,1198 1.046,1199 1.956,1200 1.799,1201 1.769,1202 1.853,1203 1.891,1204 0.995,1205 1.911,1206 1.458,1207 1.433,1208 1.579,1209 1.663,1210 0.628,1211 1.651,1212 0.992,1213 0.971,1214 1.253,1215 1.356,1216 0.227,1217 1.336,1218 0.957,1219 0.902,1220 1.181,1221 1.304,1222 0.218,1223 1.283,1224 0.935,1225 0.867,1226 1.173,1227 1.152,1228 0.195,1229 1.147,1230 0.886,1231 0.821,1232 1.153,1233 1.062,1234 0.125,1235 1.107,1236 4.078,1238 5.389,1239 2.398,1240 6.891,1241 4.727,1242 8.482,1243 6.843,1244 10.121,1250 11.559,1252 0.666,1254 5.873,1255 1.648,1262 28.863,1263 71.767,1264 148.729,1265 173.193,1266 200.968,1267 209.722,1268 212.477,1269 32.526,1270 7.522,1271 100.19,1272 125.49,1273 23,1274 12.427,1275 4.524,1276 3.585,1277 38.239,1278 107,1279 98,1280 0.174,1281 180.478,1282 297.91,1283 432.126,1284 20792,1286 17.933,1287 0.69,1288 0.56,1289 18.286,1290 14.571,1291 12.687,1292 0.437,1293 0.308,1294 7.916,1295 11.757,1296 7.673,1297 6.36,1298 13.141,1299 8.923,1300 11.444,1301 0.286,1302 0.166,1303 12.022,1304 6.636,1305 9.362,1306 0.18,1307 0.092,1308 10.02,1309 4.776,1310 8.366,1311 0.12,1312 0.05,1313 9.081,1314 3.475,1315 6.317,1316 0.077,1317 0.029,1318 7.085,1319 2.355,1320 0.278,1321 83.78,1322 0.224,1323 25.429,1324 0.463,1325 138,1326 414.246,1327 174.527,1328 423.445,1329 588.68,1330 398,1331 161,1332 435.017,1333 193.008,1334 450.701,1335 658.83,1336 424,1337 4.41}
{0 CHEMBL59283,1 1.449,2 8.6,3 2.265,4 5.132,5 81.082,6 7.581,7 0.773,8 3.664,9 3.803,10 3.245,11 3.224,12 4.852,13 3.209,14 4.121,15 4.299,16 3.596,17 3.601,18 5.274,19 3.561,20 4.312,21 4.494,22 3.624,23 3.735,24 5.391,25 3.67,26 4.434,27 4.672,28 3.439,29 3.7,30 5.463,31 3.58,32 4.371,33 4.642,34 3.26,35 3.558,36 5.291,37 3.421,38 4.165,39 4.426,40 3.114,41 3.355,42 5.135,43 3.238,44 4.052,45 4.34,46 3.07,47 3.198,48 4.983,49 3.096,50 3.784,51 4.007,52 3.016,53 3,54 5.012,55 2.941,56 0.04,57 0.566,58 6.873,59 2.689,60 9.864,61 3.677,62 0.147,63 0.857,64 11.805,65 4.843,66 18.006,67 6.672,68 0.087,69 1.007,70 14.35,71 5.528,72 15.786,73 7.749,74 0.191,75 1.037,76 18.017,77 6.564,78 32.007,79 9.444,80 0.148,81 0.918,82 17.991,83 6.294,84 27.416,85 9.318,86 0.134,87 0.767,88 14.368,89 4.704,90 23.616,91 7,92 0.099,93 0.661,94 13.521,95 4.464,96 16.921,97 6.798,98 0.124,99 0.574,100 9.094,101 2.887,102 18.681,103 4.258,104 10,105 31,106 0.263,107 0.638,108 0.803,109 0.875,110 0.875,111 0.875,112 3.058,113 0.865,114 -3.59,115 -3.56,116 -3.39,119 42.9,120 1,121 1,139 4,140 4,142 2,143 1,144 1,147 1,157 2,158 2,159 2,166 9,169 1,170 5,172 3,173 3,175 1,178 11,180 1,182 5,187 1,189 10,191 1,193 4,195 1,196 1,197 1,198 2,200 2,201 8,204 2,205 1,207 5,212 3,215 5,218 3,221 5,226 3,229 2,231 3,234 2,239 3,243 3,245 2,246 4,248 1,249 1,251 4,256 4,265 1,270 1,273 454,274 13.378,275 13.378,276 13.378,277 13.378,278 13.378,279 11.238,280 14.194,281 7.799,282 13.621,283 10.849,284 10.849,285 10.849,286 10.849,287 10.849,288 7.736,289 17.679,290 3.714,291 11.243,292 3.68,293 1.618,294 0.707,295 0.307,296 0.307,297 0.307,298 3.738,300 1,301 1,302 1,303 371,304 2.121,307 155.297,311 81.201,314 1.24,315 13.963,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 42.5,327 172,328 4.513,329 3.172,330 6.479,331 4.041,332 3.052,333 4.456,334 0.68,335 10.073,336 3.02,337 4.239,338 3.018,339 6.089,340 3.823,341 2.862,342 3.888,344 8.847,345 2.758,346 3.694,347 2.541,348 5.274,349 3.305,350 2.333,351 3.121,353 6.725,354 2.271,355 3.438,356 2.201,357 5.032,358 3.002,359 2.05,360 2.809,362 5.715,363 1.951,364 3.364,365 2.064,366 4.916,367 2.906,368 1.943,369 2.699,371 5.62,372 1.856,373 2.916,374 1.574,375 4.143,376 2.413,377 1.458,378 2.111,380 3.694,381 1.393,382 2.815,383 1.417,384 4.037,385 2.33,386 1.379,387 1.945,389 3.428,390 1.306,391 2.377,392 1.002,393 3.372,394 1.905,395 0.923,396 1.323,398 2.151,399 0.905,400 1.667,401 0.652,402 3.063,403 1.357,404 0.403,405 0.49,407 0.981,408 0.383,409 1.276,410 0.143,411 2.452,412 0.888,413 -0.077,414 -0.099,415 -0.179,416 -0.074,417 0.957,418 -0.262,419 2.359,420 0.51,421 -0.458,422 -0.602,423 -1.103,424 -0.443,425 0.799,426 -0.314,427 2.315,428 0.392,429 -0.515,430 -0.622,431 -1.243,432 -0.467,433 0.675,434 -0.644,435 2.267,436 0.274,437 -0.711,438 -0.998,439 -2.029,440 -0.698,441 0.446,442 -0.794,443 2,444 0.049,445 -0.931,446 -1.254,448 -2.593,449 -0.91,450 0.079,451 -1.089,452 1.515,453 -0.289,454 -1.235,455 -1.647,457 -3.395,458 -1.162,459 9.5,460 0.475,461 0.541,462 0.027,463 30,464 1.5,465 17,466 0.85,467 13,468 0.65,469 12.324,470 0.616,471 20.5,472 0.586,473 19.122,474 0.956,475 5.929,476 0.296,477 3.702,478 0.185,479 0.137,481 0.368,485 1.112,486 1.144,487 0.816,488 0.886,489 1.287,490 0.823,491 0.507,492 0.854,493 0.716,494 0.883,495 0.447,496 0.838,497 1.038,498 1.206,499 1.069,500 1.161,501 0.882,502 1.127,503 0.917,504 0.969,505 1.163,506 1.151,507 0.947,508 1.184,509 0.882,510 0.951,511 1.004,512 1.023,513 0.892,514 1.029,515 1.138,516 1.024,517 1.098,518 1.038,519 1.144,520 1.058,521 0.749,522 0.991,523 0.665,524 0.821,525 0.691,526 0.747,527 0.941,528 1.334,529 1.043,530 1.255,531 1.009,532 1.179,533 4.5,534 0.025,535 2.444,536 1.313,537 1.36,538 0.326,539 0.404,540 0.314,541 0.107,542 0.129,543 3794,544 10152,545 2.077,546 42.9,547 5,548 4,550 2,551 4,555 1.616,556 1.935,557 3.09,558 1.928,560 1,562 1,564 50.709,565 1.449,566 3.511,567 4.422,568 4.822,569 4.822,570 4.822,571 2.504,572 4.122,573 4.298,574 3.194,575 606.95,576 7.331,577 6136,578 1,579 1,581 1,582 179.525,583 1.441,584 4.248,585 0.205,586 0.006,587 0.079,588 0.042,589 0.057,590 0.016,591 0.024,592 0.018,593 0.007,594 0.016,595 0.47,596 0.5,597 1,598 0.627,599 88.208,600 -0.185,601 0.02,602 0.011,603 0.096,604 -0.292,605 0.083,606 0.344,607 0.227,608 0.158,609 0.122,610 0.292,611 0.116,612 -0.177,613 -0.14,614 -0.196,615 -0.171,616 -0.127,617 -0.183,618 -0.043,619 0.001,620 -0.218,621 -0.161,622 -0.043,623 -0.205,624 -0.056,625 -0.056,626 -0.011,627 -0.019,628 -0.037,629 -0.01,630 -0.163,631 -0.082,632 -0.108,633 -0.07,634 -0.172,635 -0.08,636 0.136,637 -0.126,638 0.372,639 0.177,640 0.199,641 0.284,642 0.301,643 -0.286,644 -0.077,645 -0.354,646 0.215,647 -0.283,648 1.468,649 1.868,650 0.8,651 13.37,652 0.998,653 1.131,654 2.355,655 5.547,656 0.681,657 3.135,658 3.466,659 3.714,660 3.951,661 4.19,662 4.143,663 4.22,664 4.331,665 4.419,666 4.357,667 5.07,668 0.65,669 265.35,670 3.135,671 4.673,672 5.517,673 6.392,674 7.252,675 8.127,676 8.993,677 9.868,678 10.737,679 11.611,680 14.3,684 2,690 3,694 2,695 6,696 3,700 5,702 17,711 2,718 35,719 17,720 1,721 22,723 37,724 15,725 13,726 3,727 3,729 3,730 4,734 1,739 1,741 13,742 2,753 1,754 1,757 15,758 5,759 4,760 5,764 5,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,810 20,811 2,816 1,836 10.333,837 6.517,838 4.333,839 1.91,840 3.401,841 1.504,842 1.028,843 3.147,844 10.145,845 3.45,846 4.127,847 4.738,848 5.339,849 5.936,850 6.139,851 6.506,852 6.946,853 7.382,854 7.5,855 0.833,856 31,857 7.31,859 3.059,860 7.708,861 13.92,863 11.279,865 2.208,866 44.167,867 0.001,870 129.482,871 85.86,872 116.151,877 85.86,878 129.482,879 116.151,880 8.825,881 2.535,882 103.699,883 73.899,884 32.369,885 4.227,886 105.94,888 129.482,889 202.011,893 129.482,897 33.498,898 118.157,899 50.357,901 129.482,902 116.151,903 85.86,906 129.482,907 21.035,908 64.825,910 116.151,911 129.482,912 116.151,913 85.86,915 0.588,916 0.342,917 0.18,918 0.1,919 16,920 7,921 0.054,922 2,923 1,924 1.125,925 3.242,926 150.723,927 0.125,928 16,929 86.439,933 12.671,934 4.968,935 2.531,936 2.148,937 116.151,938 11.706,939 12.325,943 3.859,945 65.794,946 331.493,947 30.5,956 34.927,957 39.568,958 0.282,959 0.685,960 0.862,961 0.94,962 0.94,963 0.94,964 4.666,965 0.923,966 5.509,967 3.428,968 4.143,969 4.812,970 0.655,971 6.304,972 4.08,973 5.904,974 0.403,975 7.062,976 2.151,977 3.761,978 4.691,980 7.154,981 3.68,982 7.224,983 -0.077,984 8.711,985 0.981,986 5.727,987 7.106,988 0.356,989 10.23,990 5.617,991 8.579,992 -0.458,993 10.413,994 -0.179,995 6.111,996 7.773,998 11.879,999 5.991,1000 9.962,1001 -0.515,1002 12.151,1003 -1.103,1004 7.577,1005 9.677,1006 0.18,1007 14.473,1008 7.432,1009 11.366,1010 -0.711,1011 13.912,1012 -1.243,1013 8.33,1014 10.74,1016 16.474,1017 8.177,1018 12.786,1019 -0.931,1020 15.692,1021 -2.029,1022 9.583,1023 12.415,1024 0.087,1025 18.885,1026 9.41,1027 3.052,1028 -1.235,1029 17.486,1030 -2.593,1031 10.516,1032 13.686,1034 21.046,1035 10.334,1036 2.862,1037 10.073,1038 19.29,1039 -3.395,1040 11.678,1041 15.254,1042 0.041,1043 23.384,1044 11.479,1045 2.333,1046 8.847,1047 21.104,1048 4.456,1049 12.697,1050 16.63,1052 25.618,1053 12.489,1054 2.05,1055 6.725,1056 22.925,1057 3.888,1058 13.821,1059 18.149,1060 0.019,1061 27.928,1062 13.598,1063 1.943,1064 5.715,1065 24.752,1066 3.121,1067 14.882,1068 19.579,1070 30.195,1071 14.649,1072 1.458,1073 5.62,1074 26.584,1075 2.809,1076 15.989,1077 21.077,1078 0.009,1079 32.496,1080 15.744,1081 1.379,1082 3.694,1083 28.421,1084 2.699,1085 17.071,1086 22.535,1088 34.78,1089 16.815,1090 3694,1091 6134,1092 14.622,1093 23.836,1094 33.09,1095 32.983,1096 34.083,1097 32.819,1098 32.806,1099 45.684,1100 1.36,1101 94.465,1102 31.683,1103 5.273,1104 5.172,1105 6.024,1106 5.11,1107 5.052,1108 7.456,1109 1.36,1110 16.757,1111 5.02,1112 9.379,1113 1.504,1114 1.499,1115 1.549,1116 1.492,1117 1.491,1118 2.077,1119 0.062,1120 4.294,1121 1.44,1122 4.091,1123 4.119,1124 4.05,1125 4.03,1126 5.291,1127 4.031,1128 3.861,1129 3.916,1130 3.825,1131 3.708,1132 4.988,1133 3.729,1134 3.514,1135 3.565,1136 3.423,1137 3.409,1138 4.973,1139 3.407,1140 3.202,1141 3.287,1142 3.073,1143 3.021,1144 4.469,1145 3.025,1146 3.098,1147 3.202,1148 2.961,1149 2.872,1150 4.34,1151 2.88,1152 2.965,1153 3.08,1154 2.802,1155 2.667,1156 4.062,1157 2.681,1158 2.81,1159 2.906,1160 2.612,1161 2.613,1162 3.747,1163 2.603,1164 2.719,1165 2.807,1166 2.547,1167 2.535,1168 3.643,1169 2.541,1170 0.205,1171 0.144,1172 0.295,1173 0.184,1174 0.139,1175 4.513,1176 0.203,1177 3.172,1178 0.031,1179 6.479,1180 0.458,1181 4.041,1182 0.137,1183 3.052,1184 4.456,1185 0.68,1186 10.073,1187 3.02,1188 2.06,1189 2.037,1190 2.14,1191 2.138,1192 1.302,1193 2.14,1194 1.789,1195 1.745,1196 1.887,1197 1.973,1198 1.024,1199 1.947,1200 1.507,1201 1.461,1202 1.688,1203 1.653,1204 0.73,1205 1.671,1206 1.178,1207 1.103,1208 1.457,1209 1.425,1210 0.458,1211 1.441,1212 1.052,1213 0.966,1214 1.333,1215 1.357,1216 0.341,1217 1.358,1218 0.891,1219 0.781,1220 1.225,1221 1.241,1222 0.17,1223 1.256,1224 0.813,1225 0.722,1226 1.118,1227 1.063,1229 1.09,1230 0.709,1231 0.625,1232 1.039,1233 0.957,1235 0.994,1236 3.807,1238 5.13,1240 6.655,1242 8.274,1244 9.938,1246 2.078,1250 11.373,1252 0.677,1262 22.741,1263 50.709,1264 122.896,1265 154.77,1266 168.77,1267 168.77,1268 168.77,1269 23.227,1270 6.744,1271 90.71,1272 90.71,1273 18,1274 12.152,1275 4.17,1276 3.248,1277 30.021,1278 61,1279 58,1280 0.247,1281 143.028,1282 232.16,1283 340.748,1284 6915,1286 14.113,1287 0.706,1288 0.558,1289 14.113,1290 11.168,1291 9.631,1292 0.438,1293 0.288,1294 6.277,1295 9.355,1296 6.076,1297 5.081,1298 9.631,1299 6.344,1300 8.902,1301 0.287,1302 0.155,1303 8.902,1304 4.795,1305 7.367,1306 0.184,1307 0.083,1308 7.367,1309 3.335,1310 6.051,1311 0.119,1312 0.044,1313 6.051,1314 2.231,1315 4.978,1316 0.077,1317 0.024,1318 4.978,1319 1.554,1320 0.38,1321 59.68,1322 0.262,1323 19.798,1324 0.692,1325 106,1326 277.56,1327 113.771,1328 282.543,1329 394.97,1330 264,1331 124,1332 301.437,1333 131.161,1334 311.448,1335 449.94,1336 292,1337 4.658}
{0 CHEMBL593154,1 1.537,2 8.8,3 3.562,4 12.685,5 101.127,6 7.201,7 0.593,8 3.943,9 4.07,10 3.473,11 3.446,12 5.092,13 3.432,14 4.439,15 4.616,16 3.822,17 3.821,18 5.532,19 3.783,20 4.612,21 4.802,22 3.871,23 3.954,24 5.633,25 3.893,26 4.761,27 4.984,28 3.916,29 4.012,30 5.806,31 3.929,32 4.771,33 4.97,34 3.801,35 4.055,36 5.743,37 3.954,38 4.87,39 5.104,40 3.857,41 4.096,42 5.758,43 3.978,44 4.912,45 5.146,46 3.851,47 4.037,48 5.878,49 3.934,50 4.847,51 5.109,52 3.639,53 3.85,54 5.842,55 3.719,56 0.038,57 0.687,58 10.145,59 4.099,60 12.259,61 5.504,62 0.273,63 1.04,64 18.203,65 7.185,66 29.081,67 9.56,68 0.115,69 1.231,70 21.441,71 8.163,72 19.72,73 11.436,74 0.365,75 1.329,76 26.261,77 9.817,78 44.52,79 13.82,80 0.285,81 1.364,82 25.985,83 9.666,84 37.436,85 13.253,86 0.168,87 1.436,88 29.259,89 11.517,90 31.432,91 16.172,92 0.439,93 1.447,94 31.631,95 10.585,96 49.14,97 15.006,98 0.47,99 1.332,100 30.438,101 9.18,102 54.137,103 13.838,104 31,105 38,106 0.262,107 0.648,108 0.795,109 0.838,110 0.846,111 0.846,112 3.268,113 0.904,114 -4.86,115 -4.76,116 -4.47,119 40.4,120 2,121 1,122 1,124 1,134 1,135 1,139 4,140 3,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 12,169 2,170 6,172 3,173 3,175 1,178 14,180 1,182 6,187 1,189 13,191 1,192 1,193 6,195 3,196 3,197 1,198 2,200 2,201 14,204 2,205 1,207 6,212 2,215 12,218 2,221 9,226 3,229 10,231 3,233 1,234 8,239 3,241 3,243 3,245 2,246 9,248 1,249 1,251 6,256 6,260 2,265 3,270 3,273 896,274 16.662,275 16.662,276 16.662,277 16.662,278 16.662,279 14.54,280 14.276,281 9.78,282 17.012,283 13.281,284 13.281,285 13.281,286 13.281,287 13.281,288 10.03,289 14.929,290 4.552,291 13.759,292 4.017,293 1.756,294 0.899,295 0.644,296 0.601,297 0.601,298 3.944,300 1,301 1,302 1,303 461,304 3.536,306 54.054,307 150.332,310 101.423,314 1.2,315 20.607,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54,327 220,328 4.655,329 3.258,330 6.79,331 4.186,332 3.206,333 4.623,334 0.86,335 11.155,336 3.146,337 4.358,338 3.15,339 6.5,340 3.979,341 2.999,342 3.969,344 10.182,345 2.941,346 3.766,347 2.608,348 5.418,349 3.345,350 2.387,351 3.218,353 6.977,354 2.298,355 3.54,356 2.37,357 5.182,358 3.211,359 2.254,360 2.859,362 6.285,363 2.146,364 3.401,365 2.065,366 5.063,367 2.926,368 1.981,369 2.75,371 5.788,372 1.874,373 3.085,374 1.987,375 4.74,376 2.862,377 1.891,378 2.182,380 4.99,381 1.824,382 2.929,383 1.747,384 4.518,385 2.571,386 1.606,387 2.088,389 4.5,390 1.547,391 2.917,392 1.571,393 3.881,394 2.458,395 1.484,396 2.025,398 3.195,399 1.436,400 2.525,401 1.099,402 3.592,403 2.013,404 1.016,405 1.476,407 2.574,408 1.013,409 2.263,410 0.938,411 3.577,412 1.796,413 0.816,414 1.159,415 2.068,416 0.798,417 1.656,418 0.853,419 2.862,420 1.349,421 0.471,422 0.537,423 0.725,424 0.409,425 1.215,426 0.112,427 2.701,428 0.931,429 -0.038,430 -0.045,431 -0.103,432 -0.036,433 1.035,434 -0.161,435 2.652,436 0.596,437 -0.349,438 -0.447,439 -0.93,440 -0.328,441 0.775,442 -0.263,443 2.296,444 0.48,445 -0.472,446 -0.561,448 -1.035,449 -0.445,450 0.764,451 -0.359,452 2.239,453 0.354,454 -0.574,455 -0.704,457 -1.348,458 -0.531,459 11.767,460 0.471,461 0.682,462 0.027,463 33,464 1.32,465 17,466 0.68,467 16,468 0.64,469 20.728,470 0.829,471 27.233,472 0.579,473 24.318,474 0.973,475 6.434,476 0.257,477 5.556,478 0.222,479 0.195,481 0.382,485 1,486 1.225,487 0.851,488 1.077,489 1.206,490 0.951,491 0.877,492 0.809,493 0.755,494 0.869,495 0.574,496 0.822,497 0.876,498 1.207,499 0.924,500 1.142,501 0.811,502 1.053,503 0.667,504 0.937,505 0.795,506 0.983,507 0.501,508 0.932,509 1.243,510 1.045,511 1.255,512 1.155,513 1.244,514 1.205,515 0.727,516 1.095,517 0.911,518 1.173,519 0.63,520 1.097,521 1.211,522 1.076,523 1.07,524 1.078,525 1.018,526 1.066,527 1.083,528 1.201,529 1.09,530 1.119,531 0.942,532 1.117,533 5.5,534 0.054,535 2.667,536 2.347,537 1.307,538 1.104,539 0.628,540 0.628,541 0.245,542 0.195,543 6166,544 16120,545 2.015,546 46.8,547 9,548 8,549 1,551 4,555 1.688,556 1.852,557 3.084,558 1.736,560 1,564 72.248,565 1.537,566 3.799,567 4.655,568 4.911,569 4.953,570 4.953,571 2.478,572 4.484,573 4.619,574 3.243,575 972.869,576 8.026,577 11622.3,579 1,581 1,582 261.066,583 1.516,584 4.555,585 0.204,586 0.008,587 0.07,588 0.06,589 0.033,590 0.032,591 0.017,592 0.018,593 0.009,594 0.014,595 0.464,597 1,598 1.127,599 118.358,600 -0.093,601 -0.012,602 0.032,603 0.003,604 -0.215,605 0.04,606 0.174,607 0.271,608 0.185,609 0.182,610 0.271,611 0.173,612 -0.046,613 -0.129,614 -0.007,615 -0.098,616 -0.034,617 -0.051,618 0.238,619 0.051,620 0.159,621 0.044,622 0.359,623 0.076,624 -0.236,625 -0.009,626 -0.316,627 -0.123,628 -0.328,629 -0.215,630 0.03,631 -0.154,632 0.026,633 -0.118,634 0.045,635 -0.059,636 -0.034,637 -0.135,638 -0.074,639 -0.092,640 -0.074,641 -0.091,642 0.048,643 -0.275,644 -0.074,645 -0.185,646 0.089,647 -0.163,648 1.568,649 2.029,650 0.6,651 18.326,652 1,653 1.131,654 3.626,655 13.146,656 0.655,657 3.332,658 3.664,659 3.932,660 4.248,661 4.407,662 4.5,663 4.564,664 4.644,665 4.644,666 4.595,667 5.426,668 0.622,669 338.45,670 3.332,671 4.875,672 5.727,673 6.621,674 7.495,675 8.396,676 9.279,677 10.182,678 11.069,679 11.974,680 8.5,684 2,690 2,694 2,695 5,696 2,698 1,700 5,702 16,711 2,716 1,718 47,719 17,720 1,721 27,723 49,724 19,725 12,726 2,727 4,728 2,729 3,730 4,734 2,739 1,741 14,742 5,743 1,744 1,749 1,751 1,753 1,754 1,756 1,757 22,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,795 1,796 1,802 2,806 3,810 25,811 2,816 1,818 1,820 1,829 4.3,834 2,836 13.5,837 9.233,838 5.556,839 2.693,840 3.657,841 1.52,842 0.976,843 5.067,844 10.696,845 3.611,846 4.259,847 4.899,848 5.558,849 6.067,850 6.436,851 6.851,852 7.282,853 7.559,854 7.876,855 0.833,856 39,857 9.17,859 3.793,860 7.707,861 17.467,863 13.95,865 2.207,866 55.167,869 1,870 211.88,871 116.196,872 99.365,874 20.507,877 116.196,878 232.387,879 99.365,880 28.533,881 2.535,882 124.915,883 37.978,884 37.88,885 15.998,886 200.109,888 211.88,889 215.562,890 20.507,893 211.88,894 20.507,897 26.491,898 146.023,899 43.047,901 211.88,902 119.873,903 116.196,906 211.88,907 28.542,908 87.654,910 119.873,911 211.88,912 119.873,913 116.196,915 0.578,916 0.335,917 0.198,918 0.106,919 18,920 9,921 0.102,922 5,923 1,924 1.133,925 3.535,926 209.573,927 0.133,928 15,929 114.096,933 17.459,934 7.255,935 3.676,936 1.061,937 119.873,938 9.585,939 8.138,941 5.522,943 3.112,945 65.794,946 447.949,947 36,952 2.055,954 1.131,956 47.014,957 53.149,958 0.277,959 0.684,960 0.838,961 0.884,962 0.892,963 0.892,964 4.844,965 1.484,966 5.727,967 4.5,968 4.344,969 4.945,970 0.908,971 6.564,972 4.282,973 6.078,974 1.016,975 7.3,976 3.195,977 4.007,978 4.844,980 7.529,981 3.921,982 7.402,983 0.816,984 8.975,985 2.574,986 5.953,987 7.23,988 0.739,989 10.652,990 5.846,991 8.766,992 0.471,993 10.71,994 2.068,995 6.415,996 7.973,998 12.467,999 6.289,1000 10.163,1001 -0.038,1002 12.484,1003 0.725,1004 7.864,1005 9.844,1006 0.593,1007 15.115,1008 7.723,1009 11.585,1010 -0.349,1011 14.288,1012 -0.103,1013 8.701,1014 10.995,1016 17.277,1017 8.544,1018 13.028,1019 -0.472,1020 16.113,1021 -0.93,1022 9.957,1023 12.654,1024 0.469,1025 19.76,1026 9.786,1027 3.206,1028 -0.574,1029 17.954,1030 -1.035,1031 10.967,1032 14.002,1034 22.06,1035 10.779,1036 2.999,1037 11.155,1038 19.809,1039 -1.348,1040 12.15,1041 15.572,1042 0.366,1043 24.484,1044 11.947,1045 2.387,1046 10.182,1047 21.673,1048 4.623,1049 13.236,1050 17.013,1052 26.839,1053 13.016,1054 2.254,1055 6.977,1056 23.546,1057 3.969,1058 14.393,1059 18.55,1060 0.283,1061 29.242,1062 14.157,1063 1.981,1064 6.285,1065 25.425,1066 3.218,1067 15.513,1068 20.033,1070 31.619,1071 15.259,1072 1.891,1073 5.788,1074 27.308,1075 2.859,1076 16.662,1077 21.558,1078 0.217,1079 34.016,1080 16.391,1081 1.606,1082 4.99,1083 29.196,1084 2.75,1085 17.798,1086 23.062,1088 36.404,1089 17.509,1090 6144,1091 10107,1092 17.512,1093 30.784,1094 40.854,1095 40.686,1096 42.32,1097 40.208,1098 40.218,1099 53.771,1100 1.72,1101 116.878,1102 38.865,1103 5.485,1104 5.258,1105 6.482,1106 5.257,1107 5.206,1108 7.623,1109 1.72,1110 18.114,1111 5.146,1112 14.107,1113 1.513,1114 1.507,1115 1.567,1116 1.489,1117 1.49,1118 1.992,1119 0.064,1120 4.329,1121 1.439,1122 4.102,1123 4.121,1124 4.082,1125 3.986,1126 5.365,1127 4.003,1128 3.923,1129 3.947,1130 3.873,1131 3.829,1132 4.987,1133 3.84,1134 3.683,1135 3.742,1136 3.542,1137 3.569,1138 4.953,1139 3.554,1140 3.432,1141 3.496,1142 3.35,1143 3.253,1144 4.864,1145 3.263,1146 3.249,1147 3.315,1148 3.087,1149 2.999,1150 4.404,1151 3.019,1152 3.199,1153 3.252,1154 3.061,1155 2.961,1156 4.292,1157 2.972,1158 3.077,1159 3.197,1160 2.951,1161 2.728,1162 4.142,1163 2.776,1164 2.874,1165 3.009,1166 2.605,1167 2.654,1168 4.035,1169 2.632,1170 0.172,1171 0.121,1172 0.251,1173 0.155,1174 0.119,1175 4.655,1176 0.171,1177 3.258,1178 0.032,1179 6.79,1180 0.413,1181 4.186,1182 0.117,1183 3.206,1184 4.623,1185 0.86,1186 11.155,1187 3.146,1188 1.956,1189 1.935,1190 2.067,1191 2.041,1192 1.312,1193 2.047,1194 1.801,1195 1.771,1196 1.936,1197 1.975,1198 1.077,1199 1.938,1200 1.701,1201 1.646,1202 1.843,1203 1.857,1204 0.953,1205 1.887,1206 1.461,1207 1.427,1208 1.612,1209 1.656,1210 0.656,1211 1.643,1212 1.197,1213 1.126,1214 1.572,1215 1.513,1216 0.574,1217 1.532,1218 1.131,1219 1.087,1220 1.417,1221 1.381,1222 0.469,1223 1.378,1224 0.957,1225 0.877,1226 1.364,1227 1.356,1228 0.392,1229 1.325,1230 0.934,1231 0.804,1232 1.239,1233 1.239,1234 0.19,1235 1.308,1236 4.007,1238 5.333,1239 2.398,1240 6.849,1241 4.727,1242 8.463,1243 6.843,1244 10.13,1246 6.025,1250 11.665,1252 0.878,1254 5.524,1256 0.471,1262 29.256,1263 72.248,1264 178.536,1265 218.801,1266 230.801,1267 232.801,1268 232.801,1269 38.704,1270 7.039,1271 100.19,1272 100.19,1273 17,1274 12.496,1275 4.17,1276 3.322,1277 41.405,1278 80,1279 81,1280 0.254,1281 182.595,1282 307.94,1283 437.292,1284 9507,1286 17.974,1287 0.719,1288 0.585,1289 17.974,1290 14.614,1291 11.99,1292 0.444,1293 0.301,1294 8.013,1295 11.514,1296 7.706,1297 6.522,1298 11.99,1299 8.134,1300 10.971,1301 0.289,1302 0.166,1303 10.971,1304 6.306,1305 8.611,1306 0.172,1307 0.078,1308 8.611,1309 3.918,1310 7.886,1311 0.114,1312 0.042,1313 7.886,1314 2.899,1315 5.853,1316 0.072,1317 0.023,1318 5.853,1319 1.844,1320 0.385,1321 75.36,1322 0.239,1323 23.709,1324 0.739,1325 130,1326 371.386,1327 142.915,1328 360.831,1329 501.6,1330 338,1331 153,1332 381.233,1333 165.639,1334 389.053,1335 568.35,1336 363,1337 4.358}
{0 CHEMBL59369,1 1.677,2 7.889,3 1.309,4 1.713,5 70.277,6 7.697,7 0.632,8 3.585,9 3.712,10 3.147,11 3.028,12 4.855,13 3.047,14 4.015,15 4.18,16 3.469,17 3.366,18 5.255,19 3.361,20 4.173,21 4.331,22 3.515,23 3.48,24 5.425,25 3.456,26 4.302,27 4.523,28 3.319,29 3.45,30 5.446,31 3.369,32 4.257,33 4.51,34 3.145,35 3.34,36 5.285,37 3.238,38 4.075,39 4.327,40 3.042,41 3.15,42 5.145,43 3.069,44 3.962,45 4.242,46 2.986,47 2.924,48 5.075,49 2.859,50 3.598,51 3.786,52 2.755,53 2.625,54 5.056,55 2.599,56 0.105,57 0.483,58 6.522,59 2.415,60 15.481,61 3.191,62 0.242,63 0.69,64 11.106,65 4.253,66 23.874,67 5.508,68 0.282,69 0.79,70 12.752,71 4.528,72 28.107,73 6.212,74 0.334,75 0.795,76 16.243,77 5.202,78 43.183,79 7.411,80 0.339,81 0.712,82 16.674,83 4.934,84 42.871,85 7.364,86 0.247,87 0.609,88 13.541,89 3.773,90 33.659,91 5.874,92 0.333,93 0.483,94 13.109,95 3.409,96 31.676,97 5.501,98 0.27,99 0.361,100 7.971,101 2.062,102 33.911,103 3.065,104 18,105 26,106 0.317,107 0.707,108 0.831,109 0.882,110 0.882,111 0.882,112 2.96,113 0.841,114 -2.71,115 -2.73,116 -2.65,119 37.5,121 1,124 1,139 3,140 2,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 3,172 3,173 3,175 2,178 5,180 1,182 4,185 1,187 3,189 4,191 1,193 4,195 1,196 1,197 1,198 3,200 2,201 1,204 2,205 1,207 5,212 4,218 3,221 2,226 3,231 2,233 2,236 1,237 1,239 2,243 2,249 2,250 1,251 1,253 1,256 1,262 1,263 1,273 340,274 11.886,275 11.886,276 11.886,277 11.886,278 11.886,279 10.281,280 16.845,281 6.919,282 12.273,283 9.282,284 9.282,285 9.282,286 9.282,287 9.282,288 6.917,289 22.308,290 3.201,291 9.832,292 3.323,293 1.261,294 0.61,295 0.336,296 0.336,297 0.336,298 3.612,300 1,301 1,302 1,303 291,304 2.236,307 119.13,314 1.136,315 20.053,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 40,327 142,328 4.295,329 3.195,330 6.125,331 3.9,332 2.932,333 3.944,334 0.86,335 8.998,336 2.841,337 4.181,338 3.029,339 6.03,340 3.743,341 2.795,342 3.829,343 0.68,344 8.591,345 2.646,346 3.576,347 2.517,348 5.222,349 3.203,350 2.255,351 2.905,353 6.524,354 2.133,355 3.352,356 2.159,357 4.911,358 2.931,359 1.988,360 2.651,362 5.607,363 1.863,364 2.884,365 1.982,366 4.208,367 2.463,368 1.531,369 2.022,371 3.838,372 1.42,373 2.821,374 1.558,375 4.125,376 2.348,377 1.414,378 1.95,380 3.647,381 1.317,382 1.779,383 0.941,384 3.084,385 1.467,386 0.559,387 0.659,389 1.135,390 0.501,391 1.609,392 0.731,393 2.853,394 1.318,395 0.398,396 0.466,398 0.778,399 0.365,400 1.16,401 0.324,402 2.387,403 0.824,404 -0.092,405 -0.109,407 -0.179,408 -0.083,409 0.798,410 -0.29,411 2.358,412 0.393,413 -0.514,414 -0.621,415 -1.242,416 -0.466,417 0.606,418 -0.314,419 2.137,420 0.267,421 -0.663,422 -0.784,423 -1.626,424 -0.612,425 0.5,426 -0.614,427 1.83,428 0.099,429 -0.868,430 -1.153,431 -2.337,432 -0.827,433 0.07,434 -0.939,435 1.381,436 -0.261,437 -1.193,438 -1.5,439 -3.145,440 -1.107,441 -0.12,442 -1.236,443 1.314,444 -0.472,445 -1.414,446 -1.854,448 -3.819,449 -1.332,450 -0.232,451 -1.285,452 1.166,453 -0.616,454 -1.533,455 -1.971,457 -4.045,458 -1.403,459 8.267,460 0.459,461 0.489,462 0.027,463 25.75,464 1.431,465 14,466 0.778,467 11.75,468 0.653,469 10.48,470 0.582,471 19.933,472 0.623,473 17.136,474 0.952,475 5.324,476 0.296,477 3.272,478 0.182,479 0.198,481 0.363,485 1.111,486 1.239,487 0.845,488 0.995,489 1.227,490 0.868,491 0.879,492 0.839,493 0.742,494 0.91,495 0.597,496 0.83,497 0.947,498 1.334,499 1.044,500 1.268,501 0.889,502 1.187,503 1.013,504 1.021,505 1.167,506 1.176,507 1.01,508 1.203,509 1.04,510 0.986,511 1.044,512 0.979,513 1.037,514 1.015,515 0.95,516 1.116,517 1.019,518 1.064,519 1.037,520 1.046,521 0.649,522 0.845,523 0.628,524 0.777,525 0.594,526 0.713,527 1.203,528 1.398,529 1.227,530 1.348,531 1.201,532 1.324,533 4.5,535 2.222,536 1.25,537 1.107,538 0.354,539 0.384,540 0.28,541 0.107,542 0.087,543 2595,544 8569,545 1.963,546 43.8,547 2,548 6,550 1,551 5,555 1.586,556 1.8,557 3.003,558 3.026,560 1,561 1,562 1,564 53.677,565 1.677,566 3.739,567 4.39,568 4.664,569 4.664,570 4.664,571 2.441,572 3.614,573 4.144,574 3.099,575 474.196,576 7.027,577 4483.19,578 1,579 1,582 160,583 1.53,584 4.076,585 0.237,587 0.085,588 0.048,589 0.055,590 0.021,591 0.026,592 0.02,593 0.011,594 0.022,595 0.525,596 0.5,597 1,598 0.946,599 76.376,600 -0.218,601 0.003,602 -0.023,603 0.081,604 -0.298,605 0.084,606 0.056,607 0.283,608 0.14,609 0.155,610 0.126,611 0.151,612 -0.02,613 -0.208,614 -0.178,615 -0.216,616 -0.022,617 -0.223,618 -0.119,619 -0.021,620 -0.233,621 -0.185,622 -0.102,623 -0.228,624 -0.145,625 -0.087,626 -0.062,627 0.006,628 -0.137,629 -0.011,630 -0.114,631 -0.172,632 -0.048,633 -0.112,634 -0.139,635 -0.067,636 0.322,637 -0.019,638 0.425,639 0.149,640 0.261,641 0.284,642 0.16,643 -0.418,644 -0.233,645 -0.441,646 0.236,647 -0.444,648 1.567,649 3.501,650 0.667,651 11.333,652 1.015,653 1.14,654 1.485,655 2.205,656 0.648,657 2.996,658 3.296,659 3.497,660 3.664,661 3.85,662 3.738,663 3.738,664 3.761,665 3.689,666 3.638,667 4.777,668 0.63,669 246.3,670 2.996,671 4.511,672 5.333,673 6.188,674 7.027,675 7.883,676 8.728,677 9.583,678 10.431,679 11.285,680 12.5,684 2,690 2,695 4,696 2,700 6,702 12,711 2,715 1,716 1,718 32,719 12,720 1,721 19,723 33,724 12,725 10,726 3,727 3,729 2,730 2,739 1,741 10,742 2,754 1,757 14,758 6,759 5,760 6,764 4,769 1,770 2,776 1,781 2,802 2,806 1,810 18,811 2,815 1,816 1,818 1,829 6.3,831 1,834 1,836 10,837 5.767,838 4.056,839 1.544,840 2.259,841 1.373,842 0.939,843 3.646,844 8.318,845 3.258,846 3.871,847 4.388,848 4.885,849 5.405,850 5.405,851 5.577,852 5.938,853 6.234,854 6.495,855 1,856 26,857 6.558,859 2.689,860 8,861 12.097,863 9.336,865 2.5,866 45,867 0.001,870 105.94,871 66.735,872 99.365,874 53.683,877 66.735,878 159.623,879 99.365,880 10.883,881 2.535,882 94.223,883 88.026,884 31.662,885 4.227,886 94.169,888 105.94,889 166.101,890 53.683,893 105.94,894 53.683,897 13.481,898 119.049,899 33.571,901 105.94,902 153.049,903 66.735,906 105.94,907 18.376,908 48.359,910 153.049,911 105.94,912 153.049,913 66.735,915 0.58,916 0.339,917 0.17,918 0.091,919 12,920 6,921 0.091,922 3,924 1,925 2.988,926 122.143,928 12,929 75.059,933 12.609,934 5.205,935 2.899,937 153.049,938 6.693,939 7.796,943 2.737,945 108.478,946 325.724,947 25,956 32.48,957 36.488,958 0.335,959 0.748,960 0.878,961 0.933,962 0.933,963 0.933,964 4.466,965 0.398,966 5.323,967 1.135,968 3.97,969 4.554,970 1.225,971 6.089,972 3.867,973 5.685,974 -0.092,975 6.866,976 0.778,977 3.611,978 4.407,980 6.899,981 3.461,982 6.993,983 -0.514,984 8.501,985 -0.179,986 5.533,987 6.752,988 0.925,989 9.918,990 5.35,991 8.332,992 -0.663,993 10.187,994 -1.242,995 5.916,996 7.326,998 11.469,999 5.68,1000 9.696,1001 -0.868,1002 11.902,1003 -1.626,1004 7.348,1005 9.191,1006 0.697,1007 14.01,1008 7.091,1009 11.077,1010 -1.193,1011 13.638,1012 -2.337,1013 8.077,1014 10.114,1016 15.887,1017 7.768,1018 12.471,1019 -1.414,1020 15.388,1021 -3.145,1022 9.302,1023 11.756,1024 0.525,1025 18.233,1026 8.972,1027 2.932,1028 -1.533,1029 17.149,1030 -3.819,1031 10.201,1032 12.866,1034 20.266,1035 9.822,1036 2.795,1037 8.998,1038 18.918,1039 -4.045,1040 11.334,1041 14.39,1042 0.395,1043 22.525,1044 10.931,1045 2.255,1046 8.591,1047 20.694,1048 3.944,1049 12.315,1050 15.606,1052 24.633,1053 11.867,1054 1.988,1055 6.524,1056 22.475,1057 3.829,1058 13.407,1059 17.062,1060 0.298,1061 26.851,1062 12.932,1063 1.531,1064 5.607,1065 24.26,1066 2.905,1067 14.428,1068 18.338,1070 28.996,1071 13.913,1072 1.414,1073 3.838,1074 26.049,1075 2.651,1076 15.502,1077 19.755,1078 0.224,1079 31.196,1080 14.957,1081 0.559,1082 3.647,1083 27.841,1084 2.022,1085 16.543,1086 21.067,1088 33.36,1089 15.962,1090 2683,1091 4948,1092 12.137,1093 20.739,1094 27.942,1095 28.384,1096 29.327,1097 27.754,1098 27.745,1099 36.851,1100 3.08,1101 78.236,1102 26.17,1103 5.06,1104 5.195,1105 5.648,1106 4.969,1107 4.932,1108 6.944,1109 1.72,1110 15.34,1111 4.841,1112 10.133,1113 1.471,1114 1.494,1115 1.544,1116 1.461,1117 1.46,1118 1.94,1119 0.162,1120 4.118,1121 1.377,1122 3.977,1123 4.008,1124 3.929,1125 3.888,1126 6.47,1127 3.893,1128 3.802,1129 3.843,1130 3.765,1131 3.643,1132 5.29,1133 3.668,1134 3.29,1135 3.353,1136 3.162,1137 3.046,1138 4.979,1139 3.068,1140 3.175,1141 3.259,1142 3.011,1143 2.928,1144 4.767,1145 2.934,1146 3.012,1147 3.126,1148 2.866,1149 2.697,1150 4.46,1151 2.725,1152 2.846,1153 2.936,1154 2.708,1155 2.618,1156 4.331,1157 2.606,1158 2.763,1159 2.836,1160 2.565,1161 2.559,1162 3.748,1163 2.576,1164 2.532,1165 2.627,1166 2.274,1167 2.183,1168 3.645,1169 2.183,1170 0.226,1171 0.168,1172 0.322,1173 0.205,1174 0.154,1175 4.295,1176 0.208,1177 3.195,1178 0.045,1179 6.125,1180 0.474,1181 3.9,1182 0.15,1183 2.932,1184 3.944,1185 0.86,1186 8.998,1187 2.841,1188 1.93,1189 1.908,1190 2.027,1191 2.045,1192 1.201,1193 2.038,1194 1.726,1195 1.685,1196 1.811,1197 1.913,1198 0.855,1199 1.886,1200 1.222,1201 1.157,1202 1.573,1203 1.529,1204 0.573,1205 1.542,1206 1.125,1207 1.051,1208 1.378,1209 1.416,1210 0.375,1211 1.413,1212 0.908,1213 0.802,1214 1.23,1215 1.299,1216 0.151,1217 1.293,1218 0.801,1219 0.722,1220 1.103,1221 1.107,1223 1.105,1224 0.753,1225 0.669,1226 1.054,1227 0.982,1229 1.015,1230 0.463,1231 0.361,1232 0.847,1233 0.869,1235 0.869,1236 3.664,1238 4.963,1240 6.46,1242 8.045,1244 9.671,1246 1.5,1250 11.189,1251 9.501,1252 0.544,1254 5.04,1262 20.149,1263 53.677,1264 119.635,1265 140.49,1266 149.245,1267 149.245,1268 149.245,1269 27.59,1270 6.059,1271 107.28,1272 107.28,1273 12,1274 11.84,1275 3.7,1276 2.807,1277 31.032,1278 52,1279 46,1280 0.306,1281 128.697,1282 215.38,1283 305.781,1284 2695,1286 13.121,1287 0.729,1288 0.551,1289 13.121,1290 9.921,1291 8.597,1292 0.452,1293 0.28,1294 5.219,1295 8.17,1296 5.071,1297 4.252,1298 8.597,1299 5.326,1300 7.716,1301 0.297,1302 0.147,1303 7.716,1304 3.822,1305 6.241,1306 0.195,1307 0.08,1308 6.241,1309 2.555,1310 4.802,1311 0.126,1312 0.043,1313 4.802,1314 1.622,1315 3.743,1316 0.081,1317 0.023,1318 3.743,1319 1.08,1320 0.469,1321 54.712,1322 0.287,1323 18.026,1324 0.861,1325 90,1326 295.8,1327 101.032,1328 287.013,1329 385.4,1330 266,1331 103,1332 280.548,1333 113.423,1334 286.686,1335 410.35,1336 266,1337 4.456}
{0 CHEMBL59416,1 1.602,2 8.619,3 2.317,4 5.368,5 84.564,6 7.343,7 0.545,8 3.757,9 3.887,10 3.281,11 3.226,12 4.995,13 3.223,14 4.202,15 4.376,16 3.6,17 3.571,18 5.373,19 3.542,20 4.385,21 4.552,22 3.702,23 3.719,24 5.575,25 3.677,26 4.561,27 4.779,28 3.614,29 3.746,30 5.694,31 3.667,32 4.557,33 4.782,34 3.506,35 3.703,36 5.632,37 3.609,38 4.493,39 4.738,40 3.398,41 3.608,42 5.524,43 3.502,44 4.433,45 4.708,46 3.358,47 3.467,48 5.453,49 3.356,50 4.218,51 4.463,52 3.17,53 3.243,54 5.487,55 3.155,56 0.078,57 0.573,58 8.313,59 3.164,60 16.884,61 4.283,62 0.221,63 0.832,64 14.035,65 5.457,66 25.494,67 7.262,68 0.233,69 0.982,70 16.644,71 6.131,72 30.125,73 8.55,74 0.326,75 1.049,76 21.512,77 7.241,78 51.462,79 10.182,80 0.343,81 1.001,82 21.952,83 7.188,84 53.925,85 10.176,86 0.288,87 0.937,88 20.71,89 6.576,90 47.664,91 9.692,92 0.359,93 0.83,94 20.323,95 6.322,96 41.019,97 9.673,98 0.356,99 0.708,100 15.883,101 4.169,102 52.502,103 6.624,104 31,105 30,106 0.288,107 0.684,108 0.837,109 0.883,110 0.883,111 0.883,112 3.103,113 0.874,114 -3.43,115 -3.41,116 -3.26,119 38.5,121 2,124 1,133 1,134 1,139 2,140 3,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 3,172 3,173 3,175 2,178 8,180 1,182 4,185 1,187 4,189 7,191 1,193 5,195 1,196 1,197 1,198 4,200 2,201 5,204 2,205 1,207 6,212 5,215 4,218 3,221 3,226 3,229 3,231 2,233 2,234 2,236 1,237 1,239 3,241 1,243 3,246 2,249 2,250 1,251 2,253 1,256 2,260 2,262 1,263 1,265 2,270 2,273 564,274 13.964,275 13.964,276 13.964,277 13.964,278 13.964,279 12.228,280 21.423,281 8.245,282 14.343,283 10.732,284 10.732,285 10.732,286 10.732,287 10.732,288 8.099,289 29.937,290 3.742,291 11.271,292 3.684,293 1.485,294 0.635,295 0.378,296 0.378,297 0.378,298 3.759,300 1,301 1,302 1,303 367,304 2.739,307 143.52,314 1.197,315 23.286,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 46,327 181,328 4.412,329 3.323,330 6.434,331 4.02,332 3.049,333 4.098,334 0.86,335 9.879,336 2.96,337 4.225,338 3.065,339 6.086,340 3.807,341 2.85,342 3.874,343 0.68,344 8.823,345 2.729,346 3.587,347 2.533,348 5.258,349 3.22,350 2.264,351 2.92,352 0.68,353 6.623,354 2.167,355 3.384,356 2.515,357 5.206,358 3.046,359 2.089,360 2.653,362 6.216,363 1.988,364 3.352,365 2.156,366 4.917,367 2.93,368 1.987,369 2.63,371 5.628,372 1.863,373 2.821,374 1.736,375 4.136,376 2.348,377 1.414,378 1.95,380 3.658,381 1.317,382 2.667,383 1.556,384 3.598,385 2.148,386 1.181,387 1.542,389 2.263,390 1.137,391 1.89,392 1.127,393 3.112,394 1.574,395 0.676,396 0.785,398 1.296,399 0.6,400 1.611,401 0.772,402 2.926,403 1.322,404 0.398,405 0.467,407 0.819,408 0.366,409 1.367,410 0.481,411 2.554,412 0.99,413 0.065,414 0.078,415 0.116,416 0.059,417 1,418 -0.133,419 2.359,420 0.61,421 -0.368,422 -0.487,423 -0.71,424 -0.359,425 0.798,426 -0.294,427 2.321,428 0.393,429 -0.514,430 -0.621,431 -1.242,432 -0.466,433 0.59,434 -0.314,435 2,436 0.266,437 -0.664,438 -0.793,439 -1.626,440 -0.613,441 0.469,442 -0.651,443 1.651,444 0.06,445 -0.919,446 -1.25,448 -2.04,449 -0.889,450 0.075,451 -0.934,452 1.38,453 -0.252,454 -1.187,455 -1.495,457 -3.194,458 -1.104,459 9.767,460 0.465,461 0.541,462 0.026,463 28.25,464 1.345,465 15,466 0.714,467 13.25,468 0.631,469 14.378,470 0.685,471 23.233,472 0.596,473 20.664,474 0.984,475 5.887,476 0.28,477 4.158,478 0.198,479 0.218,481 0.358,485 1.084,486 1.223,487 0.878,488 1.027,489 1.23,490 0.922,491 0.847,492 0.863,493 0.772,494 0.933,495 0.621,496 0.868,497 0.863,498 1.288,499 0.98,500 1.238,501 0.834,502 1.142,503 1.111,504 0.987,505 1.092,506 1.109,507 1.166,508 1.103,509 1.28,510 1.031,511 1.129,512 1.064,513 1.131,514 1.083,515 1.062,516 1.057,517 1.067,518 1.079,519 1.097,520 1.077,521 0.632,522 0.986,523 0.72,524 0.936,525 0.549,526 0.871,527 1.021,528 1.202,529 1.137,530 1.121,531 1.068,532 1.142,533 5,534 0.029,535 2.444,536 1.813,537 1.418,538 0.556,539 0.588,540 0.326,541 0.189,542 0.133,543 3778,544 11535,545 1.941,546 46.2,547 4,548 8,550 1,551 5,555 1.635,556 1.775,557 3.097,558 2.798,559 1,560 1,562 1,564 62.469,565 1.602,566 3.8,567 4.651,568 4.907,569 4.907,570 4.907,571 2.475,572 4.202,573 4.364,574 3.205,575 673.1,576 7.495,577 7150.56,578 1,579 1,581 1,582 206.131,583 1.545,584 4.294,585 0.227,586 0.007,587 0.081,588 0.057,589 0.051,590 0.022,591 0.027,592 0.016,593 0.012,594 0.015,595 0.514,596 0.33,597 1,598 1.234,599 94.283,600 -0.172,601 0.017,602 -0.012,603 0.065,604 -0.274,605 0.064,606 0.088,607 0.255,608 0.137,609 0.137,610 0.1,611 0.134,612 0.047,613 -0.166,614 -0.083,615 -0.171,616 0.015,617 -0.147,618 -0.102,619 0.02,620 -0.138,621 -0.103,622 -0.088,623 -0.123,624 -0.199,625 -0.081,626 -0.157,627 -0.056,628 -0.121,629 -0.097,630 -0.127,631 -0.109,632 -0.098,633 -0.092,634 -0.141,635 -0.089,636 0.261,637 -0.126,638 0.28,639 0.04,640 0.196,641 0.137,642 0.086,643 -0.218,644 -0.135,645 -0.219,646 0.096,647 -0.222,648 1.539,649 4.063,650 0.571,651 15.469,652 1.006,653 1.136,654 2.197,655 4.825,656 0.648,657 3.135,658 3.434,659 3.664,660 3.871,661 4.06,662 4.025,663 4.06,664 4.078,665 4.043,666 3.97,667 5.163,668 0.621,669 286.37,670 3.135,671 4.654,672 5.485,673 6.351,674 7.203,675 8.072,676 8.932,677 9.802,678 10.665,679 11.536,680 10.3,684 2,690 2,695 3,696 2,700 7,702 12,711 2,715 1,716 1,718 39,719 13,720 1,721 22,723 40,724 15,725 10,726 4,727 2,729 2,730 2,739 2,741 12,742 3,744 1,745 1,749 1,753 1,754 1,757 18,758 6,759 5,760 6,764 4,769 1,770 2,776 1,781 2,794 1,795 1,802 2,806 1,810 21,811 2,815 1,816 2,818 1,829 5.1,831 1,834 1,836 11.833,837 7.017,838 4.833,839 1.954,840 2.342,841 1.368,842 0.935,843 4.779,844 8.706,845 3.401,846 3.989,847 4.516,848 5.047,849 5.563,850 5.676,851 5.877,852 6.224,853 6.509,854 6.756,855 0.833,856 32,857 7.678,859 3.137,860 7.937,861 14.266,863 11.054,865 2.437,866 51.167,870 153.024,871 88.222,872 99.365,874 53.683,877 88.222,878 206.708,879 99.365,880 10.883,881 20.836,882 94.223,883 88.026,884 34.847,885 4.227,886 141.253,888 153.024,889 187.588,890 53.683,893 153.024,894 53.683,897 16.016,898 128.525,899 43.047,901 153.024,902 153.049,903 88.222,906 153.024,907 24.096,908 48.359,910 168.816,911 153.024,912 153.049,913 88.222,915 0.571,916 0.34,917 0.183,918 0.101,919 13,920 7,921 0.125,922 5,924 1,925 3.205,926 153.502,928 12,929 92.239,933 15.288,934 6.565,935 3.51,937 153.049,938 5.247,939 7.881,943 3.478,945 108.478,946 394.295,947 29,948 3.684,952 1.721,956 39.247,957 44.318,958 0.303,959 0.719,960 0.88,961 0.928,962 0.928,963 0.928,964 4.615,965 0.676,966 5.476,967 2.263,968 4.111,969 4.673,970 1.465,971 6.271,972 4.022,973 5.83,974 0.398,975 7.034,976 1.296,977 3.761,978 4.559,980 7.135,981 3.633,982 7.139,983 0.065,984 8.689,985 0.819,986 5.694,987 6.874,988 1.082,989 10.2,990 5.536,991 8.484,992 -0.368,993 10.396,994 0.116,995 6.111,996 7.512,998 11.821,999 5.911,1000 9.855,1001 -0.514,1002 12.135,1003 -0.71,1004 7.545,1005 9.343,1006 0.791,1007 14.416,1008 7.325,1009 11.246,1010 -0.664,1011 13.897,1012 -1.242,1013 8.319,1014 10.337,1016 16.374,1017 8.057,1018 12.652,1019 -0.919,1020 15.674,1021 -1.626,1022 9.552,1023 11.957,1024 0.577,1025 18.787,1026 9.27,1027 3.049,1028 -1.187,1029 17.464,1030 -2.04,1031 10.497,1032 13.136,1034 20.906,1035 10.176,1036 2.85,1037 9.879,1038 19.264,1039 -3.194,1040 11.647,1041 14.651,1042 0.423,1043 23.241,1044 11.303,1045 2.264,1046 8.823,1047 21.071,1048 4.098,1049 12.673,1050 15.928,1052 25.439,1053 12.294,1054 2.089,1055 6.623,1056 22.885,1057 3.874,1058 13.79,1059 17.388,1060 0.312,1061 27.741,1062 13.385,1063 1.987,1064 6.216,1065 24.705,1066 2.92,1067 14.854,1068 18.719,1070 29.978,1071 14.416,1072 1.414,1073 5.628,1074 26.53,1075 2.653,1076 15.958,1077 20.149,1078 0.231,1079 32.265,1080 15.493,1081 1.181,1082 3.658,1083 28.358,1084 2.63,1085 17.04,1086 21.509,1088 34.522,1089 16.544,1090 3928,1091 6944,1092 13.929,1093 25.262,1094 32.269,1095 32.983,1096 34.255,1097 31.899,1098 31.945,1099 41.993,1100 4.44,1101 90.642,1102 30.371,1103 5.185,1104 5.323,1105 6.197,1106 5.089,1107 5.049,1108 7.098,1109 1.72,1110 16.812,1111 4.96,1112 12.623,1113 1.467,1114 1.499,1115 1.557,1116 1.45,1117 1.452,1118 1.909,1119 0.202,1120 4.12,1121 1.381,1122 4,1123 4.027,1124 3.954,1125 3.922,1126 6.468,1127 3.925,1128 3.822,1129 3.868,1130 3.786,1131 3.666,1132 5.29,1133 3.689,1134 3.512,1135 3.568,1136 3.374,1137 3.395,1138 4.979,1139 3.383,1140 3.29,1141 3.353,1142 3.161,1143 3.044,1144 4.783,1145 3.065,1146 3.154,1147 3.242,1148 2.989,1149 2.919,1150 4.681,1151 2.922,1152 3.011,1153 3.121,1154 2.864,1155 2.718,1156 4.458,1157 2.735,1158 2.856,1159 2.949,1160 2.71,1161 2.639,1162 4.299,1163 2.634,1164 2.807,1165 2.882,1166 2.605,1167 2.559,1168 3.747,1169 2.579,1170 0.201,1171 0.151,1172 0.292,1173 0.183,1174 0.139,1175 4.412,1176 0.186,1177 3.323,1178 0.039,1179 6.434,1180 0.449,1181 4.02,1182 0.135,1183 3.049,1184 4.098,1185 0.86,1186 9.879,1187 2.96,1188 1.956,1189 1.936,1190 2.052,1191 2.058,1192 1.254,1193 2.054,1194 1.752,1195 1.709,1196 1.861,1197 1.935,1198 0.987,1199 1.912,1200 1.518,1201 1.466,1202 1.723,1203 1.682,1204 0.715,1205 1.705,1206 1.222,1207 1.157,1208 1.567,1209 1.523,1210 0.567,1211 1.537,1212 1.11,1213 1.036,1214 1.37,1215 1.401,1216 0.346,1217 1.398,1218 0.917,1219 0.819,1220 1.24,1221 1.293,1222 0.172,1223 1.29,1224 0.846,1225 0.755,1226 1.181,1227 1.113,1229 1.134,1230 0.755,1231 0.669,1232 1.063,1233 1.057,1235 1.072,1236 3.807,1238 5.106,1240 6.608,1242 8.208,1244 9.856,1246 1.511,1250 11.322,1251 10.063,1252 1.066,1254 5.193,1262 24.203,1263 62.469,1264 148.215,1265 181.376,1266 191.376,1267 191.376,1268 191.376,1269 39.519,1270 6.365,1271 107.28,1272 107.28,1273 12,1274 12.08,1275 3.807,1276 3,1277 39.124,1278 64,1279 64,1280 0.305,1281 154.547,1282 264.64,1283 368.854,1284 3911,1286 15.405,1287 0.734,1288 0.564,1289 15.405,1290 11.835,1291 10.045,1292 0.457,1293 0.291,1294 6.306,1295 9.623,1296 6.109,1297 5.137,1298 10.045,1299 6.413,1300 8.805,1301 0.293,1302 0.154,1303 8.805,1304 4.614,1305 7.188,1306 0.189,1307 0.082,1308 7.188,1309 3.109,1310 5.756,1311 0.122,1312 0.044,1313 5.756,1314 2.088,1315 4.482,1316 0.079,1317 0.024,1318 4.482,1319 1.387,1320 0.466,1321 63.404,1322 0.268,1323 20.602,1324 0.869,1325 104,1326 319.8,1327 115.032,1328 312.911,1329 421.66,1330 290,1331 120,1332 307.548,1333 130.755,1334 315.736,1335 453.79,1336 293,1337 4.833}
{0 CHEMBL594320,1 1.58,2 8.708,3 2.734,4 7.474,5 94.724,6 7.676,7 0.593,8 3.868,9 3.984,10 3.463,11 3.396,12 5.026,13 3.398,14 4.336,15 4.493,16 3.773,17 3.741,18 5.465,19 3.715,20 4.461,21 4.641,22 3.844,23 3.838,24 5.522,25 3.81,26 4.548,27 4.705,28 3.889,29 3.918,30 5.704,31 3.867,32 4.704,33 4.905,34 3.768,35 3.974,36 5.668,37 3.885,38 4.734,39 4.961,40 3.724,41 3.946,42 5.611,43 3.835,44 4.679,45 4.925,46 3.639,47 3.759,48 5.631,49 3.664,50 4.472,51 4.745,52 3.388,53 3.478,54 5.518,55 3.388,56 0.058,57 0.636,58 8.331,59 3.593,60 10.877,61 4.503,62 0.277,63 0.95,64 15.077,65 6.258,66 25.84,67 7.903,68 0.156,69 1.075,70 17.336,71 6.714,72 16.821,73 8.945,74 0.315,75 1.157,76 18.412,77 7.736,78 34.809,79 10.021,80 0.326,81 1.271,82 23.534,83 8.854,84 36.693,85 11.643,86 0.246,87 1.254,88 25.224,89 9.934,90 31.324,91 13.516,92 0.409,93 1.174,94 25.158,95 8.28,96 37.467,97 11.696,98 0.449,99 0.969,100 21.106,101 5.761,102 46.18,103 8.694,104 11,105 39,106 0.275,107 0.674,108 0.801,109 0.851,110 0.859,111 0.859,112 3.23,113 0.869,114 -4.62,115 -4.54,116 -4.27,119 42.9,121 2,122 1,124 1,134 1,135 1,139 4,140 3,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 12,169 2,170 6,172 3,173 3,175 1,178 12,180 1,182 6,187 1,189 13,191 1,192 1,193 6,195 3,196 3,197 1,198 2,200 2,201 12,204 2,205 1,207 7,212 2,215 11,218 2,221 8,226 3,229 5,231 3,233 1,234 8,239 4,241 1,243 4,245 2,246 5,248 1,249 1,251 4,256 4,260 2,265 4,270 4,273 750,274 16.455,275 16.455,276 16.455,277 16.455,278 16.455,279 14.357,280 15.489,281 9.519,282 16.805,283 13.275,284 13.275,285 13.275,286 13.275,287 13.275,288 10.039,289 16.4,290 4.415,291 13.753,292 3.812,293 1.512,294 0.78,295 0.494,296 0.447,297 0.447,298 3.914,300 1,301 1,302 1,303 458,304 3,305 41.504,306 50.019,307 139.596,310 94.163,314 1.174,315 20.005,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52,327 209,328 4.66,329 3.353,330 6.809,331 4.215,332 3.23,333 4.623,334 0.86,335 11.237,336 3.188,337 4.416,338 3.185,339 6.675,340 4.076,341 3.094,342 3.996,344 10.762,345 3.04,346 3.841,347 2.829,348 5.817,349 3.56,350 2.583,351 3.245,353 7.959,354 2.52,355 3.669,356 2.399,357 5.308,358 3.258,359 2.322,360 2.99,362 6.703,363 2.172,364 3.406,365 2.066,366 5.063,367 2.925,368 1.981,369 2.781,371 5.792,372 1.869,373 3.155,374 1.976,375 4.84,376 2.804,377 1.839,378 2.284,380 5.265,381 1.767,382 2.917,383 1.747,384 4.648,385 2.547,386 1.585,387 2.09,389 4.55,390 1.523,391 2.913,392 1.521,393 3.882,394 2.455,395 1.475,396 2.038,398 3.154,399 1.436,400 2.475,401 0.989,402 3.592,403 1.94,404 0.944,405 1.388,407 2.44,408 0.94,409 2.25,410 0.934,411 3.579,412 1.78,413 0.8,414 1.13,415 2.052,416 0.783,417 1.655,418 0.841,419 2.89,420 1.343,421 0.463,422 0.531,423 0.718,424 0.403,425 1.169,426 0.052,427 2.727,428 0.872,429 -0.089,430 -0.105,431 -0.236,432 -0.085,433 0.996,434 -0.199,435 2.666,436 0.572,437 -0.372,438 -0.481,439 -1.009,440 -0.35,441 0.774,442 -0.268,443 2.354,444 0.461,445 -0.5,446 -0.574,448 -1.049,449 -0.477,450 0.693,451 -0.37,452 2.242,453 0.353,454 -0.575,455 -0.704,457 -1.353,458 -0.532,459 11.267,460 0.469,461 0.589,462 0.025,463 33,464 1.375,465 17,466 0.708,467 16,468 0.667,469 17.5,470 0.729,471 25.333,472 0.603,473 23.212,474 0.967,475 6.412,476 0.267,477 5.257,478 0.219,479 0.115,481 0.399,485 0.993,486 1.133,487 0.779,488 0.976,489 1.151,490 0.851,491 0.908,492 0.828,493 0.806,494 0.916,495 0.594,496 0.875,497 0.924,498 1.069,499 0.788,500 0.952,501 0.813,502 0.858,503 0.784,504 1.112,505 0.982,506 1.204,507 0.615,508 1.156,509 1.203,510 0.971,511 1.202,512 1.092,513 1.202,514 1.142,515 0.857,516 1.071,517 0.98,518 1.169,519 0.738,520 1.123,521 1.021,522 1.14,523 0.972,524 1.052,525 0.91,526 1.019,527 1.025,528 0.897,529 1.021,530 0.832,531 1.143,532 0.891,533 4.5,534 0.054,535 2.5,536 2.097,537 1.262,538 0.792,539 0.529,540 0.379,541 0.234,542 0.148,543 6019,544 15877,545 2.135,546 42.9,547 5,548 8,549 1,551 4,555 1.675,556 2,557 3.093,558 1.777,559 1,560 1,562 1,564 66.36,565 1.58,566 3.88,567 4.612,568 4.898,569 4.946,570 4.946,571 2.47,572 4.137,573 4.561,574 3.223,575 889.658,576 7.899,577 10166.6,578 1,579 1,581 1,582 226.477,583 1.406,584 4.518,585 0.167,586 0.011,587 0.069,588 0.054,589 0.032,590 0.023,591 0.017,592 0.014,593 0.011,594 0.011,595 0.409,597 1,598 0.757,599 111.793,600 -0.116,601 0.028,602 0.036,603 0.041,604 -0.191,605 0.07,606 0.14,607 0.227,608 0.092,609 0.1,610 0.242,611 0.076,612 -0.059,613 -0.019,614 0.112,615 0.054,616 -0.012,617 0.109,618 0.178,619 -0.069,620 -0.098,621 -0.186,622 0.27,623 -0.199,624 -0.215,625 0.011,626 -0.262,627 -0.088,628 -0.294,629 -0.165,630 -0.015,631 -0.174,632 -0.016,633 -0.132,634 -0.024,635 -0.088,636 0.046,637 -0.234,638 0.055,639 -0.081,640 0.034,641 -0.026,642 0.063,643 0.077,644 0.038,645 0.062,646 0.036,647 0.055,648 1.558,649 2.02,650 0.75,651 16.583,652 1.006,653 1.127,654 3.393,655 11.515,656 0.673,657 3.332,658 3.689,659 3.97,660 4.29,661 4.466,662 4.564,663 4.635,664 4.71,665 4.71,666 4.663,667 5.268,668 0.648,669 322.4,670 3.332,671 4.89,672 5.771,673 6.678,674 7.575,675 8.488,676 9.39,677 10.305,678 11.21,679 12.125,680 9.5,684 2,690 2,694 2,695 5,696 2,698 1,700 5,702 16,711 2,716 1,718 42,719 17,720 1,721 27,723 45,724 18,725 12,726 2,727 4,728 2,729 4,730 5,736 2,737 1,739 2,741 14,742 4,743 1,744 1,749 1,751 1,753 1,754 1,756 1,757 18,758 6,759 4,760 6,764 4,769 0.75,770 2,776 1,779 1,780 1,781 2,784 1,795 1,796 1,802 3,806 1,810 24,811 2,816 2,818 1,820 1,829 4.8,834 2,836 12,837 7.733,838 5.25,839 2.401,840 3.628,841 1.512,842 1.026,843 3.75,844 10.712,845 3.611,846 4.273,847 4.921,848 5.577,849 6.095,850 6.471,851 6.894,852 7.327,853 7.604,854 7.924,855 0.833,856 39,857 8.815,859 3.795,860 7.694,861 16.869,863 14.138,865 2.194,866 52.667,869 1,870 164.795,871 101.08,872 99.365,874 20.507,877 101.08,878 185.303,879 99.365,880 10.883,881 5.069,882 124.915,883 37.978,884 37.88,885 15.998,886 153.024,888 164.795,889 200.446,890 20.507,893 164.795,894 20.507,897 11.376,898 146.023,899 43.047,901 164.795,902 119.873,903 101.08,906 164.795,907 31.077,908 70.004,910 119.873,911 164.795,912 119.873,913 101.08,915 0.585,916 0.34,917 0.2,918 0.102,919 21,920 9,921 0.089,922 4,923 1,924 1.111,925 3.581,926 206.665,927 0.111,928 18,929 108.039,933 15.181,934 5.928,935 2.917,936 1.096,937 119.873,938 9.668,939 8.137,941 5.517,943 3.24,945 65.794,946 385.748,947 36,952 2.095,954 1.214,956 42.247,957 47.318,958 0.293,959 0.72,960 0.855,961 0.908,962 0.917,963 0.917,964 4.86,965 1.475,966 5.771,967 4.55,968 4.369,969 4.959,970 0.908,971 6.637,972 4.309,973 6.105,974 0.944,975 7.365,976 3.154,977 4.111,978 4.89,980 7.689,981 4.033,982 7.441,983 0.8,984 9.06,985 2.44,986 6.028,987 7.255,988 0.739,989 10.794,990 5.929,991 8.815,992 0.463,993 10.814,994 2.052,995 6.553,996 8.01,998 12.654,999 6.444,1000 10.221,1001 -0.089,1002 12.607,1003 0.718,1004 7.989,1005 9.869,1006 0.593,1007 15.304,1008 7.865,1009 11.65,1010 -0.372,1011 14.426,1012 -0.236,1013 8.864,1014 11.024,1016 17.489,1017 8.732,1018 13.097,1019 -0.5,1020 16.264,1021 -1.009,1022 10.119,1023 12.676,1024 0.469,1025 19.982,1026 9.975,1027 3.23,1028 -0.575,1029 18.117,1030 -1.049,1031 11.151,1032 14.024,1034 22.297,1035 10.997,1036 3.094,1037 11.237,1038 19.982,1039 -1.353,1040 12.338,1041 15.592,1042 0.366,1043 24.733,1044 12.172,1045 2.583,1046 10.762,1047 21.855,1048 4.623,1049 13.438,1050 17.031,1052 27.101,1053 13.262,1054 2.322,1055 7.959,1056 23.736,1057 3.996,1058 14.602,1059 18.566,1060 0.283,1061 29.516,1062 14.413,1063 1.981,1064 6.703,1065 25.622,1066 3.245,1067 15.733,1068 20.048,1070 31.905,1071 15.532,1072 1.839,1073 5.792,1074 27.512,1075 2.99,1076 16.889,1077 21.572,1078 0.217,1079 34.314,1080 16.676,1081 1.585,1082 5.265,1083 29.406,1084 2.781,1085 18.034,1086 23.075,1088 36.712,1089 17.808,1090 5737,1091 9453,1092 18.205,1093 28.262,1094 41.382,1095 41.071,1096 42.654,1097 40.62,1098 40.632,1099 54.194,1100 1.72,1101 121.27,1102 39.278,1103 5.58,1104 5.353,1105 6.501,1106 5.287,1107 5.23,1108 7.623,1109 1.72,1110 18.427,1111 5.188,1112 10.642,1113 1.533,1114 1.521,1115 1.58,1116 1.504,1117 1.505,1118 2.007,1119 0.064,1120 4.491,1121 1.455,1122 4.115,1123 4.134,1124 4.09,1125 4.013,1126 5.365,1127 4.023,1128 3.956,1129 3.985,1130 3.902,1131 3.845,1132 4.987,1133 3.86,1134 3.787,1135 3.827,1136 3.679,1137 3.698,1138 4.953,1139 3.688,1140 3.415,1141 3.478,1142 3.35,1143 3.213,1144 4.865,1145 3.235,1146 3.249,1147 3.315,1148 3.064,1149 2.973,1150 4.416,1151 2.984,1152 3.106,1153 3.197,1154 3.014,1155 2.915,1156 4.322,1157 2.93,1158 3.062,1159 3.135,1160 2.93,1161 2.727,1162 4.137,1163 2.775,1164 2.784,1165 2.858,1166 2.602,1167 2.647,1168 3.921,1169 2.625,1170 0.173,1171 0.124,1172 0.252,1173 0.156,1174 0.12,1175 4.66,1176 0.171,1177 3.353,1178 0.032,1179 6.809,1180 0.416,1181 4.215,1182 0.118,1183 3.23,1184 4.623,1185 0.86,1186 11.237,1187 3.188,1188 1.937,1189 1.919,1190 2.025,1191 2.022,1192 1.194,1193 2.018,1194 1.801,1195 1.771,1196 1.851,1197 1.971,1198 0.962,1199 1.938,1200 1.523,1201 1.495,1202 1.647,1203 1.691,1204 0.825,1205 1.679,1206 1.213,1207 1.183,1208 1.573,1209 1.513,1210 0.816,1211 1.532,1212 1.196,1213 1.123,1214 1.513,1215 1.432,1216 0.574,1217 1.429,1218 1.153,1219 1.064,1220 1.398,1221 1.376,1222 0.449,1223 1.421,1224 0.958,1225 0.88,1226 1.242,1227 1.356,1228 0.214,1229 1.328,1230 0.853,1231 0.766,1232 1.142,1233 1.196,1234 0.143,1235 1.195,1236 4.007,1237 1.946,1238 5.352,1239 3.932,1240 6.899,1241 5.861,1242 8.54,1243 7.761,1244 10.23,1246 1.686,1250 11.648,1252 2.331,1254 5.52,1256 0.516,1262 27.203,1263 66.36,1264 162.968,1265 193.722,1266 205.722,1267 207.722,1268 207.722,1269 31.33,1270 7.084,1271 100.19,1272 100.19,1273 20,1274 12.638,1275 4.17,1276 3.322,1277 33.632,1278 76,1279 74,1280 0.221,1281 165.609,1282 278.28,1283 395.847,1284 9930,1286 16.681,1287 0.695,1288 0.555,1289 16.681,1290 13.321,1291 11.669,1292 0.432,1293 0.29,1294 7.702,1295 11.193,1296 7.528,1297 6.24,1298 11.669,1299 7.823,1300 10.582,1301 0.271,1302 0.152,1303 10.582,1304 5.912,1305 8.689,1306 0.167,1307 0.076,1308 8.689,1309 3.965,1310 7.883,1311 0.109,1312 0.04,1313 7.883,1314 2.892,1315 5.916,1316 0.069,1317 0.022,1318 5.916,1319 1.861,1320 0.335,1321 73.432,1322 0.234,1323 22.872,1324 0.643,1325 132,1326 373.386,1327 144.915,1328 361.625,1329 507.3,1330 340,1331 160,1332 389.233,1333 172.639,1334 395.281,1335 582.24,1336 371,1337 4.985}
{0 CHEMBL594339,1 1.518,2 8.76,3 3.812,4 14.528,5 100.277,6 6.948,7 0.593,8 3.979,9 4.11,10 3.478,11 3.47,12 5.087,13 3.449,14 4.503,15 4.688,16 3.832,17 3.864,18 5.536,19 3.814,20 4.716,21 4.922,22 3.919,23 4.035,24 5.644,25 3.962,26 4.903,27 5.117,28 3.972,29 4.151,30 5.878,31 4.046,32 5.041,33 5.289,34 3.879,35 4.203,36 5.902,37 4.072,38 5.03,39 5.28,40 3.886,41 4.185,42 5.878,43 4.049,44 5.001,45 5.257,46 3.822,47 4.054,48 5.922,49 3.928,50 4.848,51 5.14,52 3.564,53 3.784,54 5.828,55 3.651,56 0.044,57 0.715,58 11.107,59 4.361,60 13.039,61 6.044,62 0.281,63 1.098,64 20.003,65 7.785,66 30.791,67 10.597,68 0.14,69 1.34,70 24.683,71 9.211,72 23.312,73 13.263,74 0.393,75 1.522,76 30.438,77 11.513,78 48.418,79 16.255,80 0.407,81 1.647,82 35.998,83 12.433,84 52.429,85 18.018,86 0.282,87 1.607,88 35.319,89 12.946,90 42.836,91 18.634,92 0.474,93 1.511,94 35.254,95 11.2,96 52.58,97 16.65,98 0.552,99 1.282,100 31.088,101 7.981,102 63.678,103 13.105,104 31,105 38,106 0.258,107 0.628,108 0.808,109 0.87,110 0.877,111 0.877,112 3.268,113 0.941,114 -4.93,115 -4.84,116 -4.54,119 38.8,120 2,121 2,122 2,124 1,139 4,140 3,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 12,169 2,170 6,172 3,173 3,175 1,178 14,180 1,182 6,187 1,189 15,191 1,192 1,193 6,195 3,196 3,197 1,198 2,200 2,201 14,204 2,205 1,207 7,212 2,215 13,218 2,221 9,226 3,229 8,231 3,233 1,234 9,239 4,241 2,243 4,245 2,246 7,248 1,249 1,251 5,256 5,260 2,265 4,270 4,273 881,274 16.878,275 16.878,276 16.878,277 16.878,278 16.878,279 14.924,280 16.074,281 9.789,282 17.228,283 13.175,284 13.175,285 13.175,286 13.175,287 13.175,288 10.211,289 16.969,290 4.432,291 13.653,292 4.097,293 1.923,294 0.863,295 0.495,296 0.454,297 0.454,298 3.944,300 1,301 1,302 1,303 459,304 3.536,306 53.89,307 149.948,310 101.139,314 1.168,315 21.359,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54,327 219,328 4.643,329 3.381,330 6.802,331 4.2,332 3.217,333 4.609,334 0.86,335 11.201,336 3.165,337 4.321,338 3.212,339 6.639,340 4.036,341 3.054,342 3.873,344 10.604,345 3,346 3.729,347 2.661,348 5.67,349 3.414,350 2.447,351 3.161,353 7.408,354 2.366,355 3.543,356 2.421,357 5.283,358 3.224,359 2.285,360 2.795,362 6.574,363 2.14,364 3.403,365 2.066,366 5.063,367 2.923,368 1.98,369 2.665,371 5.79,372 1.866,373 3.02,374 1.898,375 4.764,376 2.698,377 1.729,378 2.178,380 4.966,381 1.669,382 2.917,383 1.845,384 4.47,385 2.5,386 1.545,387 2.086,389 4.094,390 1.473,391 2.806,392 1.518,393 3.743,394 2.443,395 1.45,396 1.892,398 3.077,399 1.433,400 2.307,401 0.945,402 3.59,403 1.892,404 0.9,405 1.229,407 2.209,408 0.892,409 2.053,410 0.908,411 3.548,412 1.761,413 0.779,414 0.976,415 1.965,416 0.763,417 1.616,418 0.798,419 2.845,420 1.347,421 0.463,422 0.519,423 0.714,424 0.405,425 1.23,426 0.231,427 2.691,428 1.163,429 0.17,430 0.175,431 0.246,432 0.169,433 1.094,434 0.068,435 2.638,436 0.757,437 -0.187,438 -0.226,439 -0.455,440 -0.176,441 0.918,442 -0.239,443 2.289,444 0.527,445 -0.411,446 -0.526,448 -1.03,449 -0.382,450 0.717,451 -0.323,452 2.238,453 0.358,454 -0.572,455 -0.68,457 -1.284,458 -0.529,459 11.767,460 0.471,461 0.627,462 0.025,463 31.5,464 1.26,465 15.5,466 0.62,467 16,468 0.64,469 22.827,470 0.913,471 27.833,472 0.568,473 22.54,474 0.902,475 5.927,476 0.237,477 6.118,478 0.245,479 0.195,481 0.382,485 0.994,486 1.274,487 0.883,488 1.129,489 1.173,490 1.001,491 0.85,492 0.872,493 0.799,494 0.942,495 0.569,496 0.891,497 0.809,498 1.166,499 0.885,500 1.106,501 0.732,502 1.018,503 0.757,504 1.096,505 0.99,506 1.189,507 0.63,508 1.15,509 1.122,510 0.921,511 1.105,512 1.017,513 1.083,514 1.057,515 0.875,516 1.051,517 0.971,518 1.128,519 0.759,520 1.083,521 1.143,522 1.124,523 1.025,524 1.074,525 0.956,526 1.049,527 1.133,528 0.963,529 1.054,530 0.878,531 1.203,532 0.93,533 5,534 0.054,535 3.111,536 2.347,537 1.547,538 0.997,539 0.757,540 0.481,541 0.278,542 0.159,543 6074,544 15415,545 2.015,546 49,547 12,548 7,549 1,551 4,555 1.688,556 1.852,557 3.092,558 1.736,560 1,564 74.371,565 1.518,566 3.692,567 4.752,568 5.12,569 5.16,570 5.16,571 2.469,572 4.564,573 4.619,574 3.229,575 968.707,576 8.028,577 11463.4,579 1,581 1,582 275.121,583 1.516,584 4.555,585 0.185,586 0.009,587 0.082,588 0.057,589 0.038,590 0.027,591 0.02,592 0.015,593 0.012,594 0.011,595 0.456,597 1,598 1.127,599 118.016,600 -0.082,601 -0.021,602 0.036,603 -0.002,604 -0.162,605 0.037,606 0.176,607 0.231,608 0.155,609 0.137,610 0.265,611 0.131,612 -0.019,613 -0.083,614 0.048,615 -0.038,616 0.019,617 0.011,618 0.16,619 -0.071,620 -0.043,621 -0.13,622 0.2,623 -0.127,624 -0.155,625 0.05,626 -0.137,627 -0.009,628 -0.19,629 -0.06,630 -0.023,631 -0.114,632 -0.018,633 -0.092,634 -0.027,635 -0.061,636 -0.001,637 -0.205,638 -0.027,639 -0.101,640 -0.009,641 -0.076,642 0.012,643 -0.019,644 -0.026,645 -0.011,646 -0.003,647 -0.02,648 1.547,649 2.078,650 0.6,651 17.75,652 0.998,653 1.134,654 3.703,655 13.714,656 0.644,657 3.332,658 3.664,659 3.97,660 4.263,661 4.431,662 4.511,663 4.575,664 4.644,665 4.644,666 4.595,667 5.351,668 0.608,669 340.47,670 3.332,671 4.875,672 5.74,673 6.635,674 7.519,675 8.421,676 9.312,677 10.217,678 11.111,679 12.017,680 8.2,684 2,690 2,694 2,695 5,696 2,698 1,700 5,702 16,711 2,716 1,718 49,719 16,720 1,721 27,723 51,724 19,725 12,726 2,727 4,729 3,730 4,734 2,739 2,741 12,742 7,743 2,754 1,756 1,757 24,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,806 3,810 25,811 2,816 2,818 1,820 2,829 4.1,834 2,836 13.5,837 9.483,838 5.667,839 2.992,840 3.017,841 1.429,842 0.963,843 5.256,844 10.056,845 3.584,846 4.216,847 4.845,848 5.466,849 5.938,850 6.223,851 6.547,852 6.899,853 7.019,854 7.207,855 0.833,856 41,857 9.199,859 3.824,860 7.673,861 17.668,863 14.348,865 2.173,866 54.333,868 1,869 1,870 235.422,871 106.069,872 99.365,874 20.507,877 106.069,878 255.929,879 99.365,880 28.533,881 5.069,882 115.439,883 37.978,884 34.695,885 15.998,886 223.651,888 235.422,889 205.434,890 20.507,893 235.422,894 20.507,897 29.026,898 142.837,899 33.571,901 235.422,902 119.873,903 106.069,906 235.422,907 27.891,908 78.178,910 119.873,911 235.422,912 119.873,913 106.069,915 0.577,916 0.357,917 0.203,918 0.107,919 18,920 9,921 0.118,922 6,923 1,924 1.133,925 3.506,926 211.392,927 0.133,928 15,929 116.096,933 17.711,934 7.42,935 3.482,936 1.181,937 119.873,938 9.85,939 8.204,941 5.575,943 3.546,945 65.794,946 461.364,947 35,956 48.898,957 55.564,958 0.27,959 0.658,960 0.846,961 0.912,962 0.919,963 0.919,964 4.82,965 1.45,966 5.74,967 4.094,968 4.344,969 4.902,970 0.908,971 6.594,972 4.282,973 6.04,974 0.9,975 7.328,976 3.077,977 4.007,978 4.796,980 7.603,981 3.921,982 7.363,983 0.779,984 9.019,985 2.209,986 5.974,987 7.169,988 0.739,989 10.733,990 5.869,991 8.725,992 0.463,993 10.77,994 1.965,995 6.463,996 7.918,998 12.579,999 6.344,1000 10.121,1001 0.17,1002 12.559,1003 0.714,1004 7.912,1005 9.776,1006 0.593,1007 15.232,1008 7.778,1009 11.542,1010 -0.187,1011 14.376,1012 0.246,1013 8.773,1014 10.932,1016 17.412,1017 8.627,1018 12.983,1019 -0.411,1020 16.213,1021 -0.455,1022 10.029,1023 12.584,1024 0.469,1025 19.903,1026 9.87,1027 3.217,1028 -0.572,1029 18.064,1030 -1.03,1031 11.054,1032 13.934,1034 22.215,1035 10.884,1036 3.054,1037 11.201,1038 19.927,1039 -1.284,1040 12.239,1041 15.503,1042 0.366,1043 24.647,1044 12.055,1045 2.447,1046 10.604,1047 21.8,1048 4.609,1049 13.336,1050 16.943,1052 27.011,1053 13.138,1054 2.285,1055 7.408,1056 23.679,1057 3.873,1058 14.496,1059 18.479,1060 0.283,1061 29.422,1062 14.284,1063 1.98,1064 6.574,1065 25.564,1066 3.161,1067 15.624,1068 19.962,1070 31.807,1071 15.397,1072 1.729,1073 5.79,1074 27.454,1075 2.795,1076 16.777,1077 21.487,1078 0.217,1079 34.21,1080 16.536,1081 1.545,1082 4.966,1083 29.347,1084 2.665,1085 17.918,1086 22.991,1088 36.604,1089 17.662,1090 6060,1091 9816,1092 17.512,1093 31.546,1094 40.2,1095 40.318,1096 42.908,1097 40.09,1098 40.037,1099 52.318,1100 1.72,1101 117.695,1102 38.681,1103 5.508,1104 5.381,1105 6.494,1106 5.271,1107 5.217,1108 7.609,1109 1.72,1110 18.269,1111 5.165,1112 13.981,1113 1.489,1114 1.493,1115 1.589,1116 1.485,1117 1.483,1118 1.938,1119 0.064,1120 4.359,1121 1.433,1122 4.103,1123 4.124,1124 4.077,1125 3.98,1126 5.362,1127 3.996,1128 3.935,1129 3.961,1130 3.879,1131 3.84,1132 4.984,1133 3.85,1134 3.676,1135 3.733,1136 3.535,1137 3.562,1138 4.946,1139 3.547,1140 3.426,1141 3.498,1142 3.339,1143 3.218,1144 4.856,1145 3.232,1146 3.249,1147 3.315,1148 3.064,1149 3.008,1150 4.391,1151 3.008,1152 3.212,1153 3.296,1154 3.031,1155 2.965,1156 4.228,1157 2.972,1158 3.083,1159 3.197,1160 2.949,1161 2.825,1162 4.137,1163 2.805,1164 3.032,1165 3.132,1166 2.763,1167 2.728,1168 3.872,1169 2.772,1170 0.172,1171 0.125,1172 0.252,1173 0.156,1174 0.119,1175 4.643,1176 0.171,1177 3.381,1178 0.032,1179 6.802,1180 0.415,1181 4.2,1182 0.117,1183 3.217,1184 4.609,1185 0.86,1186 11.201,1187 3.165,1188 1.964,1189 1.938,1190 2.096,1191 2.058,1192 1.431,1193 2.069,1194 1.808,1195 1.777,1196 1.921,1197 1.98,1198 1.08,1199 1.943,1200 1.693,1201 1.64,1202 1.855,1203 1.848,1204 1.009,1205 1.874,1206 1.458,1207 1.417,1208 1.66,1209 1.673,1210 0.753,1211 1.671,1212 1.212,1213 1.134,1214 1.573,1215 1.513,1216 0.627,1217 1.533,1218 1.197,1219 1.121,1220 1.567,1221 1.461,1222 0.574,1223 1.503,1224 1.027,1225 0.952,1226 1.306,1227 1.356,1228 0.347,1229 1.345,1230 0.957,1231 0.873,1232 1.232,1233 1.333,1234 0.172,1235 1.313,1236 4.007,1238 5.333,1239 2.398,1240 6.862,1241 4.727,1242 8.488,1243 6.843,1244 10.165,1246 6.143,1250 11.721,1252 1.817,1254 5.578,1256 0.719,1262 29.783,1263 74.371,1264 180.908,1265 232.856,1266 250.856,1267 252.856,1268 252.856,1269 42.036,1270 7.039,1271 100.19,1272 100.19,1273 17,1274 12.537,1275 4.087,1276 3.17,1277 41.401,1278 79,1279 81,1280 0.258,1281 185.523,1282 310.58,1283 444.435,1284 9454,1286 17.974,1287 0.719,1288 0.593,1289 17.974,1290 14.821,1291 12.045,1292 0.446,1293 0.314,1294 8.346,1295 11.569,1296 8.055,1297 6.781,1298 12.045,1299 8.467,1300 10.63,1301 0.28,1302 0.167,1303 10.63,1304 6.346,1305 9.125,1306 0.175,1307 0.094,1308 9.125,1309 4.864,1310 7.87,1311 0.112,1312 0.047,1313 7.87,1314 3.309,1315 5.929,1316 0.071,1317 0.027,1318 5.929,1319 2.203,1320 0.39,1321 75.689,1322 0.239,1323 23.638,1324 0.756,1325 130,1326 359.386,1327 142.915,1328 347.498,1329 483.27,1330 326,1331 155,1332 367.233,1333 167.639,1334 373.103,1335 546.17,1336 349,1337 4.462}
{0 CHEMBL59470,1 1.489,2 8.727,3 3.341,4 11.164,5 92.389,6 7.057,7 0.522,8 3.807,9 3.947,10 3.299,11 3.334,12 5.019,13 3.303,14 4.25,15 4.43,16 3.618,17 3.689,18 5.38,19 3.627,20 4.489,21 4.682,22 3.712,23 3.842,24 5.58,25 3.767,26 4.664,27 4.899,28 3.651,29 3.875,30 5.758,31 3.77,32 4.61,33 4.84,34 3.589,35 3.86,36 5.675,37 3.739,38 4.656,39 4.923,40 3.479,41 3.799,42 5.632,43 3.663,44 4.511,45 4.772,46 3.419,47 3.683,48 5.495,49 3.542,50 4.477,51 4.767,52 3.296,53 3.486,54 5.653,55 3.36,56 0.063,57 0.617,58 9.116,59 3.534,60 17.252,61 4.934,62 0.151,63 0.918,64 14.707,65 6.155,66 21.161,67 8.496,68 0.1,69 1.105,70 19.068,71 7.28,72 25.521,73 10.382,74 0.313,75 1.193,76 24.321,77 8.473,78 55.59,79 12.011,80 0.157,81 1.156,82 22.383,83 8.43,84 46.245,85 12.117,86 0.274,87 1.136,88 24.647,89 8.378,90 52.81,91 12.299,92 0.092,93 1.023,94 20.577,95 7.62,96 31.897,97 11.376,98 0.39,99 0.943,100 21.171,101 5.779,102 64.837,103 9.307,104 34,105 31,106 0.263,107 0.637,108 0.76,109 0.8,110 0.8,111 0.8,112 3.147,113 0.909,114 -4.35,115 -4.28,116 -4.04,119 40.5,121 3,133 2,134 2,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 12,169 1,170 2,172 3,173 3,175 3,178 13,180 1,182 2,187 5,189 14,191 1,193 2,195 1,196 1,197 1,198 5,200 2,201 13,204 2,205 1,207 4,212 6,215 12,218 3,221 4,226 4,229 9,231 3,234 4,239 4,241 4,243 4,246 4,249 2,250 1,251 4,253 1,254 1,256 4,260 4,265 4,270 4,273 656,274 14.671,275 14.671,276 14.671,277 14.671,278 14.671,279 12.806,280 23.082,281 8.855,282 14.877,283 11.27,284 11.27,285 11.27,286 11.27,287 11.27,288 8.465,289 32.531,290 4.046,291 11.628,292 3.903,293 1.781,294 1.084,295 0.857,296 0.857,297 0.857,298 3.805,300 1,301 1,302 1,303 388,304 2.915,307 152.087,314 1.231,315 22.11,316 1,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 47,327 192,328 4.414,329 3.307,330 6.438,331 4.036,332 3.051,333 4.1,334 0.68,335 9.902,336 3.003,337 4.226,338 3.062,339 6.086,340 3.81,341 2.851,342 3.874,343 0.68,344 8.824,345 2.738,346 3.588,347 2.515,348 5.258,349 3.222,350 2.265,351 2.921,352 0.68,353 6.626,354 2.17,355 3.409,356 2.512,357 5.223,358 3.115,359 2.115,360 2.655,362 6.311,363 2.115,364 3.354,365 2.156,366 4.917,367 2.932,368 1.988,369 2.653,371 5.629,372 1.866,373 2.821,374 1.789,375 4.137,376 2.348,377 1.414,378 1.95,380 3.658,381 1.317,382 2.729,383 1.558,384 3.669,385 2.259,386 1.276,387 1.628,389 2.493,390 1.25,391 2.599,392 1.272,393 3.153,394 2,395 1,396 1.429,398 1.714,399 1,400 1.788,401 0.891,402 3.097,403 1.451,404 0.505,405 0.613,407 1.142,408 0.474,409 1.508,410 0.539,411 2.567,412 1.149,413 0.209,414 0.257,415 0.42,416 0.195,417 1.212,418 -0.08,419 2.535,420 0.746,421 -0.254,422 -0.36,423 -0.478,424 -0.254,425 0.906,426 -0.176,427 2.359,428 0.533,429 -0.446,430 -0.566,431 -0.893,432 -0.435,433 0.795,434 -0.314,435 2.1,436 0.392,437 -0.515,438 -0.621,439 -1.242,440 -0.467,441 0.479,442 -0.533,443 1.69,444 0.138,445 -0.823,446 -1.077,448 -1.83,449 -0.786,450 0.451,451 -0.822,452 1.627,454 -1,455 -1.448,457 -2.241,458 -1,459 10.433,460 0.474,461 0.541,462 0.025,463 28.75,464 1.307,465 15.5,466 0.705,467 13.25,468 0.602,469 15.893,470 0.722,471 23.767,472 0.566,473 21.399,474 0.973,475 5.95,476 0.27,477 4.595,478 0.209,479 0.204,481 0.335,485 1.122,486 1.129,487 0.924,488 0.953,489 1.266,490 0.915,491 0.473,492 0.943,493 0.803,494 1.047,495 0.544,496 0.985,497 0.913,498 1.236,499 0.995,500 1.209,501 0.861,502 1.126,503 1.33,504 0.868,505 1.084,506 0.97,507 1.276,508 1.004,509 0.918,510 1.129,511 1.066,512 1.196,513 0.847,514 1.163,515 1.183,516 0.887,517 1.015,518 0.907,519 1.207,520 0.945,521 0.52,522 1.278,523 0.875,524 1.221,525 0.662,526 1.117,527 1.022,528 0.911,529 0.998,530 0.844,531 0.956,532 0.894,533 5,534 0.058,535 2.444,536 1.813,537 1.498,538 0.583,539 0.628,540 0.358,541 0.214,542 0.142,543 4283,544 11951,545 1.944,546 47.6,547 6,548 8,550 1,551 5,555 1.65,556 1.784,557 3.127,558 2.689,559 1,560 1,562 1,564 62.552,565 1.489,566 3.612,567 4.309,568 4.535,569 4.535,570 4.535,571 2.504,572 3.789,573 4.43,574 3.248,575 750.376,576 7.635,577 8299.37,578 1,579 1,581 1,582 226.477,583 1.529,584 4.365,585 0.217,586 0.012,587 0.079,588 0.055,589 0.05,590 0.021,591 0.025,592 0.016,593 0.011,594 0.012,595 0.497,596 0.17,597 1,598 1.317,599 100.596,600 -0.178,601 0.085,602 -0.019,603 0.116,604 -0.277,605 0.078,606 0.26,607 0.178,608 0.103,609 0.022,610 0.12,611 0.032,612 -0.046,613 -0.161,614 -0.071,615 -0.165,616 -0.048,617 -0.124,618 -0.115,619 0.111,620 -0.099,621 0.023,622 -0.083,623 -0.031,624 -0.067,625 -0.144,626 -0.125,627 -0.165,628 0.035,629 -0.155,630 -0.142,631 0.032,632 -0.029,633 0.078,634 -0.163,635 0.042,636 0.113,637 -0.349,638 0.068,639 -0.204,640 0.039,641 -0.097,642 0.164,643 0.045,644 0.031,645 0.041,646 0.153,647 0.026,648 1.508,649 4.271,650 0.545,651 17.438,652 0.995,653 1.132,654 3.116,655 9.708,656 0.656,657 3.178,658 3.466,659 3.689,660 3.912,661 4.111,662 4.094,663 4.127,664 4.19,665 4.143,666 4.06,667 5.338,668 0.619,669 296.41,670 3.178,671 4.691,672 5.517,673 6.382,674 7.232,675 8.102,676 8.961,677 9.833,678 10.696,679 11.568,680 9.5,684 2,690 2,695 3,696 2,700 7,702 12,711 2,715 1,718 42,719 14,720 1,721 23,723 43,724 17,725 10,726 4,727 2,729 2,730 2,739 3,741 14,742 3,744 2,745 2,749 2,753 1,754 1,757 20,758 5,759 5,760 5,764 4,769 1,770 1,776 1,781 2,794 2,795 2,802 2,810 22,811 2,815 1,816 3,829 2.4,831 1,836 12.333,837 7.183,838 5.083,839 2.204,840 2.406,841 1.373,842 0.946,843 5.177,844 8.86,845 3.466,846 4.025,847 4.538,848 5.085,849 5.608,850 5.75,851 5.956,852 6.359,853 6.598,854 6.846,855 0.833,856 33,857 8.057,859 3.292,860 7.871,861 15.125,863 11.88,865 2.371,866 52.167,869 1,870 176.567,871 103.059,872 99.365,874 42.683,877 103.059,878 219.25,879 99.365,881 39.137,882 103.699,883 88.026,884 21.79,885 4.227,886 164.795,888 176.567,889 202.425,890 42.683,893 176.567,894 42.683,897 18.55,898 131.351,899 52.524,901 176.567,902 142.049,903 103.059,906 176.567,907 24.573,908 46.952,910 173.583,911 176.567,912 142.049,913 103.059,915 0.565,916 0.331,917 0.184,918 0.105,919 13,920 7,921 0.14,922 6,924 1,925 3.301,926 163.273,928 12,929 88.107,933 16.053,934 7.096,935 3.873,937 142.049,938 5.518,939 7.944,943 4.312,945 108.478,946 421.674,947 31,948 7.45,952 3.522,956 41.803,957 47.524,958 0.276,959 0.67,960 0.799,961 0.841,962 0.841,963 0.841,964 4.673,965 1,966 5.501,967 2.493,968 4.143,969 4.71,970 1.328,971 6.29,972 4.083,973 5.879,974 0.505,975 7.052,976 1.714,977 3.761,978 4.559,980 7.135,981 3.664,982 7.178,983 0.209,984 8.701,985 1.142,986 5.714,987 6.89,988 0.825,989 10.213,990 5.604,991 8.513,992 -0.254,993 10.405,994 0.42,995 6.111,996 7.512,998 11.829,999 5.967,1000 9.878,1001 -0.446,1002 12.143,1003 -0.478,1004 7.559,1005 9.35,1006 0.466,1007 14.429,1008 7.404,1009 11.263,1010 -0.515,1011 13.903,1012 -0.893,1013 8.323,1014 10.339,1016 16.387,1017 8.138,1018 12.666,1019 -0.823,1020 15.68,1021 -1.242,1022 9.563,1023 11.962,1024 0.242,1025 18.803,1026 9.365,1027 3.051,1028 -1,1029 17.469,1030 -1.83,1031 10.503,1032 13.139,1034 20.923,1035 10.281,1036 2.851,1037 9.902,1038 19.269,1039 -2.241,1040 11.657,1041 14.655,1042 0.119,1043 23.261,1044 11.42,1045 2.265,1046 8.824,1047 21.076,1048 4.1,1049 12.681,1050 15.932,1052 25.461,1053 12.423,1054 2.115,1055 6.626,1056 22.891,1057 3.874,1058 13.799,1059 17.392,1060 0.057,1061 27.764,1062 13.525,1063 1.988,1064 6.311,1065 24.711,1066 2.921,1067 14.863,1068 18.723,1070 30.004,1071 14.571,1072 1.414,1073 5.629,1074 26.536,1075 2.655,1076 15.968,1077 20.154,1078 0.027,1079 32.293,1080 15.66,1081 1.276,1082 3.658,1083 28.364,1084 2.653,1085 17.051,1086 21.514,1088 34.553,1089 16.726,1090 4452,1091 7517,1092 14.622,1093 27.569,1094 33.914,1095 34.211,1096 35.43,1097 33.34,1098 33.348,1099 44.161,1100 4.08,1101 93.437,1102 32.258,1103 5.19,1104 5.307,1105 6.203,1106 5.105,1107 5.051,1108 7.1,1109 1.36,1110 16.847,1111 5.003,1112 13.107,1113 1.475,1114 1.487,1115 1.54,1116 1.45,1117 1.45,1118 1.92,1119 0.177,1120 4.062,1121 1.403,1122 4.016,1123 4.044,1124 3.965,1125 3.952,1126 6.468,1127 3.95,1128 3.831,1129 3.881,1130 3.792,1131 3.677,1132 5.29,1133 3.699,1134 3.568,1135 3.625,1136 3.426,1137 3.468,1138 4.979,1139 3.451,1140 3.452,1141 3.513,1142 3.314,1143 3.335,1144 4.756,1145 3.323,1146 3.195,1147 3.274,1148 3.08,1149 2.995,1150 4.7,1151 3.008,1152 3.015,1153 3.129,1154 2.871,1155 2.789,1156 4.523,1157 2.769,1158 2.912,1159 2.989,1160 2.74,1161 2.702,1162 4.41,1163 2.731,1164 2.849,1165 2.942,1166 2.709,1167 2.569,1168 3.748,1169 2.594,1170 0.192,1171 0.144,1172 0.28,1173 0.175,1174 0.133,1175 4.414,1176 0.178,1177 3.307,1178 0.03,1179 6.438,1180 0.431,1181 4.036,1182 0.131,1183 3.051,1184 4.1,1185 0.68,1186 9.902,1187 3.003,1188 1.982,1189 1.961,1190 2.083,1191 2.069,1192 1.297,1193 2.072,1194 1.763,1195 1.719,1196 1.869,1197 1.945,1198 1.004,1199 1.924,1200 1.594,1201 1.54,1202 1.826,1203 1.734,1204 0.922,1205 1.769,1206 1.458,1207 1.402,1208 1.669,1209 1.618,1210 0.623,1211 1.644,1212 1.141,1213 1.076,1214 1.38,1215 1.414,1216 0.335,1217 1.409,1218 0.946,1219 0.877,1220 1.27,1221 1.299,1222 0.198,1223 1.295,1224 0.913,1225 0.808,1226 1.236,1227 1.138,1228 0.082,1229 1.188,1230 0.782,1231 0.682,1232 1.119,1233 1.111,1235 1.115,1236 3.85,1238 5.142,1240 6.635,1242 8.229,1244 9.874,1250 11.39,1251 10.271,1252 1.76,1262 26.015,1263 62.552,1264 151.683,1265 180.968,1266 190.477,1267 190.477,1268 190.477,1269 43.532,1270 6.454,1271 98.05,1272 98.05,1273 12,1274 12.111,1275 3.907,1276 3.17,1277 42.005,1278 69,1279 70,1280 0.301,1281 166.808,1282 287.81,1283 398.771,1284 4385,1286 16.113,1287 0.732,1288 0.564,1289 16.113,1290 12.419,1291 10.545,1292 0.458,1293 0.303,1294 6.905,1295 10.275,1296 6.703,1297 5.636,1298 10.545,1299 6.971,1300 9.185,1301 0.296,1302 0.163,1303 9.185,1304 5.064,1305 7.323,1306 0.188,1307 0.086,1308 7.323,1309 3.367,1310 5.969,1311 0.122,1312 0.048,1313 5.969,1314 2.347,1315 4.737,1316 0.079,1317 0.026,1318 4.737,1319 1.551,1320 0.461,1321 65.289,1322 0.262,1323 21.49,1324 0.859,1325 108,1326 288.064,1327 116.154,1328 292.506,1329 396.91,1330 270,1331 124,1332 293.002,1333 131.654,1334 303.097,1335 435.53,1336 283,1337 5.018}
{0 CHEMBL594790,1 1.518,2 8.84,3 4.016,4 16.128,5 100.329,6 6.948,7 0.593,8 3.979,9 4.11,10 3.478,11 3.47,12 5.079,13 3.449,14 4.503,15 4.687,16 3.813,17 3.856,18 5.535,19 3.802,20 4.713,21 4.933,22 3.876,23 3.996,24 5.624,25 3.918,26 4.837,27 5.052,28 3.922,29 4.074,30 5.817,31 3.976,32 4.948,33 5.185,34 3.802,35 4.124,36 5.816,37 3.998,38 4.965,39 5.223,40 3.821,41 4.123,42 5.777,43 3.984,44 4.936,45 5.193,46 3.84,47 4.033,48 5.845,49 3.921,50 4.828,51 5.083,52 3.682,53 3.871,54 5.823,55 3.755,56 0.044,57 0.715,58 11.107,59 4.361,60 12.314,61 6.044,62 0.278,63 1.095,64 19.998,65 7.777,66 29.712,67 10.594,68 0.152,69 1.306,70 24.889,71 9.046,72 23.065,73 13.16,74 0.392,75 1.417,76 28.624,77 10.603,78 46.019,79 15.002,80 0.396,81 1.518,82 32.664,83 11.164,84 47.619,85 16.098,86 0.247,87 1.514,88 33.073,89 12.159,90 35.297,91 17.673,92 0.425,93 1.444,94 32.837,95 10.633,96 46.299,97 15.787,98 0.477,99 1.298,100 29.706,101 8.729,102 53.347,103 13.381,104 23,105 37,106 0.258,107 0.618,108 0.798,109 0.873,110 0.88,111 0.88,112 3.268,113 0.951,114 -4.93,115 -4.84,116 -4.54,119 38.8,120 1,121 4,122 1,124 1,139 4,140 3,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 12,169 2,170 6,172 3,173 3,175 1,178 13,180 1,182 6,187 1,189 13,191 1,192 1,193 6,195 3,196 3,197 1,198 2,200 2,201 13,204 2,205 1,207 6,212 2,215 12,218 2,221 8,226 3,229 9,231 3,233 1,234 8,239 3,241 5,243 3,245 2,246 8,248 1,249 1,251 5,254 1,256 5,260 4,265 4,270 4,273 915,274 17.085,275 17.085,276 17.085,277 17.085,278 17.085,279 15.131,280 16.074,281 10.257,282 17.435,283 13.246,284 13.246,285 13.246,286 13.246,287 13.246,288 10.278,289 16.969,290 4.72,291 13.724,292 4.097,293 1.979,294 0.919,295 0.48,296 0.439,297 0.439,298 3.948,300 1,301 1,302 1,303 463,304 3.391,306 54.193,307 150.646,310 101.663,314 1.232,315 20.8,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54,327 221,328 4.642,329 3.343,330 6.79,331 4.184,332 3.205,333 4.609,334 0.86,335 11.154,336 3.144,337 4.289,338 3.199,339 6.494,340 3.97,341 2.99,342 3.862,344 10.15,345 2.93,346 3.717,347 2.581,348 5.398,349 3.308,350 2.364,351 3.159,353 6.923,354 2.234,355 3.413,356 2.348,357 5.137,358 3.084,359 2.129,360 2.791,362 6.095,363 2.024,364 3.329,365 2.066,366 5.063,367 2.921,368 1.979,369 2.483,371 5.784,372 1.863,373 2.978,374 1.868,375 4.718,376 2.621,377 1.65,378 2.139,380 4.788,381 1.598,382 2.917,383 1.671,384 4.03,385 2.476,386 1.514,387 2.084,389 3.397,390 1.451,391 2.626,392 1.475,393 3.607,394 2.436,395 1.438,396 1.649,398 2.93,399 1.431,400 2.321,401 1.016,402 3.589,403 2.012,404 1.014,405 1.268,407 2.256,408 1.011,409 2.202,410 0.936,411 3.363,412 1.8,413 0.819,414 1.129,415 2.04,416 0.802,417 1.637,418 0.855,419 2.843,420 1.366,421 0.481,422 0.541,423 0.733,424 0.42,425 1.302,426 0.304,427 2.691,428 1.208,429 0.221,430 0.233,431 0.396,432 0.218,433 1.098,434 0.071,435 2.638,436 0.767,437 -0.181,438 -0.215,439 -0.418,440 -0.171,441 0.919,442 -0.237,443 2.287,444 0.531,445 -0.406,446 -0.521,448 -1.029,449 -0.379,450 0.718,451 -0.319,452 2.238,453 0.36,454 -0.572,455 -0.68,457 -1.241,458 -0.529,459 11.767,460 0.471,461 0.537,462 0.021,463 31.5,464 1.26,465 15.5,466 0.62,467 16,468 0.64,469 21.937,470 0.877,471 27.833,472 0.568,473 22.193,474 0.888,475 5.927,476 0.237,477 6.208,478 0.248,479 0.153,481 0.34,485 0.994,486 1.274,487 0.883,488 1.129,489 1.143,490 1.001,491 0.855,492 0.913,493 0.838,494 0.993,495 0.568,496 0.942,497 0.806,498 1.134,499 0.854,500 1.066,501 0.726,502 0.978,503 0.8,504 1.075,505 0.966,506 1.15,507 0.634,508 1.108,509 1.254,510 0.956,511 1.196,512 1.051,513 1.204,514 1.11,515 0.754,516 1.03,517 0.915,518 1.094,519 0.696,520 1.046,521 1.019,522 1.012,523 0.929,524 0.985,525 0.913,526 0.953,527 1.166,528 1.125,529 1.097,530 1.07,531 1.083,532 1.076,533 4.5,534 0.083,535 2.667,536 2.222,537 1.227,538 0.882,539 0.539,540 0.512,541 0.309,542 0.169,543 6266,544 15727,545 2.038,546 49,547 12,548 7,549 1,551 4,555 1.688,556 1.899,557 3.107,558 1.736,560 1,564 74.371,565 1.518,566 3.636,567 4.696,568 5.135,569 5.176,570 5.176,571 2.504,572 4.564,573 4.617,574 3.267,575 980.217,576 8.024,577 11794.8,579 1,581 1,582 275.121,583 1.44,584 4.569,585 0.167,586 0.012,587 0.072,588 0.057,589 0.031,590 0.026,591 0.015,592 0.015,593 0.011,594 0.011,595 0.417,597 1,598 1.272,599 118.706,600 -0.082,601 -0.021,602 0.036,603 -0.002,604 -0.134,605 0.037,606 0.171,607 0.189,608 0.115,609 0.086,610 0.264,611 0.08,612 -0.005,613 -0.078,614 0.087,615 -0.015,616 0.033,617 0.043,618 0.173,619 -0.054,620 -0.009,621 -0.102,622 0.233,623 -0.094,624 -0.213,625 0.038,626 -0.224,627 -0.042,628 -0.26,629 -0.121,630 0.01,631 -0.095,632 0.031,633 -0.06,634 0.003,635 -0.019,636 0.041,637 -0.075,638 0.061,639 -0.005,640 0.013,641 0.028,642 0.025,643 -0.158,644 -0.087,645 -0.133,646 0.018,647 -0.132,648 1.543,649 2.066,650 0.6,651 19.104,652 0.998,653 1.134,654 3.703,655 13.714,656 0.644,657 3.332,658 3.638,659 3.932,660 4.234,661 4.394,662 4.477,663 4.554,664 4.635,665 4.644,666 4.595,667 5.515,668 0.608,669 340.47,670 3.332,671 4.86,672 5.714,673 6.6,674 7.476,675 8.372,676 9.256,677 10.157,678 11.045,679 11.947,680 8.2,684 2,690 2,694 2,695 5,696 2,698 1,700 5,702 16,711 2,716 1,718 49,719 16,720 1,721 27,723 51,724 19,725 12,726 2,727 4,729 3,730 4,734 1,739 4,741 12,742 7,743 1,754 1,756 1,757 24,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,806 2,810 25,811 2,816 4,818 1,820 1,829 4.1,834 2,836 13.167,837 9.15,838 5.722,839 3.047,840 3.017,841 1.429,842 0.971,843 5.562,844 10.056,845 3.584,846 4.201,847 4.829,848 5.453,849 5.919,850 6.201,851 6.523,852 6.873,853 6.999,854 7.186,855 0.833,856 39,857 9.202,859 3.806,860 7.66,861 17.728,863 14.319,865 2.16,866 54,868 1,869 1,870 235.422,871 102.313,872 99.365,874 20.507,877 102.313,878 255.929,879 99.365,880 19.708,881 10.138,882 115.439,883 37.978,884 34.695,885 15.998,886 223.651,888 235.422,889 201.678,890 20.507,893 235.422,894 20.507,897 25.27,898 142.837,899 33.571,901 235.422,902 119.873,903 102.313,906 235.422,907 32.96,908 69.353,910 119.873,911 235.422,912 119.873,913 102.313,915 0.566,916 0.341,917 0.2,918 0.107,919 17,920 8,921 0.137,922 7,923 1,924 1.133,925 3.58,926 207.529,927 0.133,928 15,929 116.096,933 17.711,934 7.851,935 3.778,936 1.194,937 119.873,938 9.867,939 8.199,941 5.566,943 3.589,945 65.794,946 457.608,947 35,956 48.898,957 55.564,958 0.27,959 0.648,960 0.836,961 0.915,962 0.922,963 0.922,964 4.804,965 1.438,966 5.694,967 3.397,968 4.317,969 4.887,970 0.908,971 6.526,972 4.254,973 6.011,974 1.014,975 7.262,976 2.93,977 3.892,978 4.745,980 7.489,981 3.794,982 7.325,983 0.819,984 8.936,985 2.256,986 5.916,987 7.152,988 0.739,989 10.625,990 5.805,991 8.682,992 0.481,993 10.673,994 2.04,995 6.347,996 7.892,998 12.451,999 6.212,1000 10.075,1001 0.221,1002 12.452,1003 0.733,1004 7.828,1005 9.764,1006 0.593,1007 15.098,1008 7.682,1009 11.495,1010 -0.181,1011 14.26,1012 0.396,1013 8.658,1014 10.919,1016 17.266,1017 8.493,1018 12.936,1019 -0.406,1020 16.089,1021 -0.418,1022 9.927,1023 12.576,1024 0.469,1025 19.747,1026 9.75,1027 3.205,1028 -0.572,1029 17.935,1030 -1.029,1031 10.937,1032 13.926,1034 22.049,1035 10.743,1036 2.99,1037 11.154,1038 19.792,1039 -1.241,1040 12.125,1041 15.497,1042 0.366,1043 24.472,1044 11.917,1045 2.364,1046 10.15,1047 21.659,1048 4.609,1049 13.212,1050 16.938,1052 26.828,1053 12.987,1054 2.129,1055 6.923,1056 23.533,1057 3.862,1058 14.372,1059 18.475,1060 0.283,1061 29.231,1062 14.13,1063 1.979,1064 6.095,1065 25.414,1066 3.159,1067 15.493,1068 19.958,1070 31.608,1071 15.233,1072 1.65,1073 5.784,1074 27.298,1075 2.791,1076 16.643,1077 21.484,1078 0.217,1079 34.005,1080 16.366,1081 1.514,1082 4.788,1083 29.187,1084 2.483,1085 17.779,1086 22.987,1088 36.393,1089 17.484,1090 6236,1091 10052,1092 17.8,1093 31.546,1094 39.633,1095 39.877,1096 41.768,1097 39.662,1098 39.609,1099 51.89,1100 1.72,1101 113.293,1102 38.254,1103 5.523,1104 5.343,1105 6.651,1106 5.256,1107 5.205,1108 7.609,1109 1.72,1110 18.104,1111 5.144,1112 12.787,1113 1.468,1114 1.477,1115 1.547,1116 1.469,1117 1.467,1118 1.922,1119 0.064,1120 4.196,1121 1.417,1122 4.101,1123 4.122,1124 4.076,1125 3.976,1126 5.362,1127 3.992,1128 3.93,1129 3.955,1130 3.873,1131 3.837,1132 4.984,1133 3.846,1134 3.669,1135 3.733,1136 3.512,1137 3.546,1138 4.946,1139 3.529,1140 3.457,1141 3.529,1142 3.355,1143 3.279,1144 4.856,1145 3.28,1146 3.278,1147 3.347,1148 3.129,1149 3.058,1150 4.389,1151 3.075,1152 3.249,1153 3.315,1154 3.062,1155 2.966,1156 4.182,1157 2.976,1158 3.08,1159 3.197,1160 2.959,1161 2.735,1162 4.135,1163 2.78,1164 2.933,1165 3.034,1166 2.675,1167 2.722,1168 3.934,1169 2.702,1170 0.172,1171 0.124,1172 0.251,1173 0.155,1174 0.119,1175 4.642,1176 0.171,1177 3.343,1178 0.032,1179 6.79,1180 0.413,1181 4.184,1182 0.116,1183 3.205,1184 4.609,1185 0.86,1186 11.154,1187 3.144,1188 1.956,1189 1.93,1190 2.087,1191 2.052,1192 1.419,1193 2.062,1194 1.808,1195 1.777,1196 1.937,1197 1.979,1198 1.149,1199 1.943,1200 1.69,1201 1.631,1202 1.864,1203 1.854,1204 1.009,1205 1.885,1206 1.496,1207 1.451,1208 1.696,1209 1.702,1210 0.817,1211 1.705,1212 1.246,1213 1.191,1214 1.573,1215 1.514,1216 0.601,1217 1.533,1218 1.197,1219 1.123,1220 1.51,1221 1.481,1222 0.574,1223 1.492,1224 0.959,1225 0.892,1226 1.28,1227 1.356,1228 0.346,1229 1.334,1230 0.946,1231 0.843,1232 1.226,1233 1.28,1234 0.172,1235 1.279,1236 4.007,1238 5.313,1239 2.398,1240 6.823,1241 4.727,1242 8.436,1243 6.843,1244 10.105,1246 3.901,1250 11.708,1252 4.112,1254 5.563,1256 0.3,1262 29.783,1263 74.371,1264 178.153,1265 230.101,1266 251.611,1267 253.611,1268 253.611,1269 40.538,1270 7.039,1271 100.19,1272 100.19,1273 17,1274 12.47,1275 4.087,1276 3.17,1277 41.417,1278 81,1279 81,1280 0.25,1281 185.523,1282 310.58,1283 444.435,1284 9562,1286 17.811,1287 0.712,1288 0.586,1289 17.811,1290 14.658,1291 12.135,1292 0.449,1293 0.317,1294 8.435,1295 11.658,1296 8.196,1297 6.89,1298 12.135,1299 8.556,1300 10.483,1301 0.283,1302 0.167,1303 10.483,1304 6.193,1305 8.765,1306 0.175,1307 0.09,1308 8.765,1309 4.506,1310 7.808,1311 0.115,1312 0.048,1313 7.808,1314 3.284,1315 5.876,1316 0.073,1317 0.028,1318 5.876,1319 2.239,1320 0.38,1321 76.225,1322 0.237,1323 23.797,1324 0.723,1325 128,1326 357.386,1327 140.915,1328 345.089,1329 479.39,1330 324,1331 151,1332 363.233,1333 163.639,1334 368.477,1335 538.94,1336 345,1337 4.331}
{0 CHEMBL594810,1 1.562,2 8.708,3 3.105,4 9.644,5 96.526,6 7.373,7 0.615,8 3.886,9 4.01,10 3.436,11 3.388,12 5.059,13 3.382,14 4.37,15 4.541,16 3.793,17 3.76,18 5.496,19 3.733,20 4.525,21 4.704,22 3.858,23 3.896,24 5.588,25 3.852,26 4.665,27 4.856,28 3.897,29 3.972,30 5.776,31 3.902,32 4.769,33 4.978,34 3.78,35 4.021,36 5.75,37 3.92,38 4.833,39 5.064,40 3.746,41 4.015,42 5.741,43 3.89,44 4.812,45 5.069,46 3.663,47 3.854,48 5.77,49 3.736,50 4.617,51 4.913,52 3.41,53 3.554,54 5.638,55 3.445,56 0.048,57 0.649,58 9.218,59 3.761,60 11.645,61 4.954,62 0.28,63 0.976,64 16.613,65 6.586,66 27.782,67 8.621,68 0.128,69 1.148,70 19.049,71 7.34,72 16.94,73 10.076,74 0.335,75 1.256,76 22.67,77 8.904,78 39.668,79 12.155,80 0.306,81 1.338,82 25.92,83 9.566,84 38.641,85 13.075,86 0.262,87 1.35,88 28.442,89 10.849,90 36.902,91 15.019,92 0.441,93 1.282,94 29.315,95 9.366,96 45.301,97 13.638,98 0.517,99 1.065,100 25.089,101 6.206,102 56.641,103 10.041,104 30,105 37,106 0.27,107 0.658,108 0.786,109 0.833,110 0.841,111 0.841,112 3.229,113 0.884,114 -4.62,115 -4.54,116 -4.27,119 40.9,120 2,122 1,124 1,134 1,135 1,139 4,140 3,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 11,169 2,170 6,172 3,173 3,175 1,178 13,180 1,182 6,187 1,189 13,191 1,192 1,193 6,195 3,196 3,197 1,198 2,200 2,201 12,204 2,205 1,207 7,212 2,215 11,218 2,221 8,226 3,229 5,231 3,233 1,234 8,239 4,241 1,243 4,245 2,246 5,248 1,249 1,251 4,256 4,260 2,265 4,270 4,273 752,274 16.008,275 16.008,276 16.008,277 16.008,278 16.008,279 13.909,280 15.489,281 9.285,282 16.358,283 12.755,284 12.755,285 12.755,286 12.755,287 12.755,288 9.505,289 16.4,290 4.273,291 13.232,292 3.898,293 1.653,294 0.915,295 0.642,296 0.597,297 0.597,298 3.905,300 1,301 1,302 1,303 440,304 3.391,306 50.747,307 141.563,310 95.32,314 1.174,315 20.056,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52,327 209,328 4.658,329 3.302,330 6.8,331 4.197,332 3.215,333 4.623,334 0.86,335 11.189,336 3.161,337 4.391,338 3.173,339 6.621,340 4.026,341 3.044,342 3.988,344 10.525,345 2.989,346 3.786,347 2.707,348 5.605,349 3.379,350 2.418,351 3.231,353 7.225,354 2.326,355 3.591,356 2.38,357 5.268,358 3.203,359 2.261,360 2.916,362 6.485,363 2.122,364 3.402,365 2.065,366 5.063,367 2.923,368 1.98,369 2.77,371 5.789,372 1.865,373 3.013,374 1.787,375 4.748,376 2.659,377 1.691,378 2.17,380 4.897,381 1.632,382 2.917,383 1.743,384 4.333,385 2.475,386 1.521,387 2.086,389 3.813,390 1.442,391 2.745,392 1.416,393 3.652,394 2.406,395 1.407,396 1.817,398 3.028,399 1.405,400 2.346,401 0.941,402 3.59,403 1.85,404 0.864,405 1.249,407 2.139,408 0.851,409 2.166,410 0.876,411 3.441,412 1.688,413 0.707,414 0.968,415 1.793,416 0.692,417 1.655,418 0.699,419 2.817,420 1.33,421 0.444,422 0.519,423 0.706,424 0.389,425 1.136,426 -0.03,427 2.68,428 0.776,429 -0.168,430 -0.203,431 -0.426,432 -0.158,433 0.94,434 -0.252,435 2.555,436 0.529,437 -0.408,438 -0.532,439 -1.03,440 -0.38,441 0.774,442 -0.319,443 2.245,444 0.358,445 -0.572,446 -0.701,448 -1.282,449 -0.529,450 0.574,451 -0.579,452 2,453 0.161,454 -0.792,455 -0.959,457 -1.88,458 -0.748,459 11.267,460 0.469,461 0.665,462 0.028,463 32.5,464 1.354,465 17,466 0.708,467 15.5,468 0.646,469 18.922,470 0.788,471 25.933,472 0.589,473 23.878,474 0.995,475 6.412,476 0.267,477 5.095,478 0.212,479 0.204,481 0.399,485 1.006,486 1.21,487 0.829,488 1.054,489 1.228,490 0.923,491 0.891,492 0.769,493 0.722,494 0.824,495 0.586,496 0.775,497 0.903,498 1.175,499 0.881,500 1.087,501 0.819,502 0.992,503 0.712,504 1.062,505 0.917,506 1.142,507 0.573,508 1.09,509 1.16,510 1.015,511 1.196,512 1.134,513 1.137,514 1.17,515 0.94,516 1.102,517 1.037,518 1.201,519 0.784,520 1.163,521 1.06,522 1.127,523 1,524 1.062,525 0.885,526 1.038,527 1.066,528 0.806,529 1.013,530 0.737,531 1.253,532 0.82,533 5,534 0.054,535 2.889,536 2.347,537 1.547,538 0.997,539 0.696,540 0.381,541 0.265,542 0.124,543 5527,544 15017,545 2.015,546 45.5,547 7,548 8,549 1,551 4,555 1.675,556 1.846,557 3.093,558 1.777,559 1,560 1,562 1,564 68.718,565 1.562,566 3.806,567 4.544,568 4.817,569 4.863,570 4.863,571 2.47,572 4.137,573 4.561,574 3.222,575 889.196,576 7.901,577 10176.4,579 1,581 1,582 240.215,583 1.528,584 4.493,585 0.192,586 0.011,587 0.078,588 0.06,589 0.04,590 0.029,591 0.022,592 0.014,593 0.013,594 0.01,595 0.468,597 1,598 0.961,599 111.811,600 -0.105,601 -0.012,602 0.03,603 0.006,604 -0.251,605 0.044,606 0.167,607 0.305,608 0.206,609 0.217,610 0.26,611 0.206,612 -0.061,613 -0.089,614 0.021,615 -0.05,616 -0.04,617 -0.004,618 0.203,619 -0.035,620 0.007,621 -0.103,622 0.285,623 -0.093,624 -0.195,625 -0.015,626 -0.256,627 -0.114,628 -0.245,629 -0.181,630 -0.048,631 -0.191,632 -0.08,633 -0.163,634 -0.052,635 -0.137,636 0.025,637 -0.234,638 0.015,639 -0.096,640 0.048,641 -0.055,642 0.026,643 0.153,644 0.044,645 0.118,646 -0.031,647 0.099,648 1.571,649 2.004,650 0.625,651 16.667,652 1.003,653 1.13,654 3.393,655 11.515,656 0.66,657 3.296,658 3.638,659 3.932,660 4.234,661 4.394,662 4.454,663 4.511,664 4.575,665 4.575,666 4.522,667 5.269,668 0.63,669 324.42,670 3.296,671 4.844,672 5.707,673 6.605,674 7.488,675 8.391,676 9.281,677 10.185,678 11.078,679 11.983,680 9.1,684 2,690 2,694 2,695 5,696 2,698 1,700 5,702 16,711 2,716 1,718 44,719 17,720 1,721 26,723 46,724 18,725 12,726 2,727 4,728 2,729 3,730 4,734 2,741 14,742 4,743 1,744 1,749 1,751 1,753 1,754 1,756 1,757 20,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,795 1,796 1,802 2,806 3,810 24,811 2,818 1,820 1,829 4.5,834 2,836 13,837 8.733,838 5.333,839 2.485,840 3.693,841 1.529,842 0.981,843 4.558,844 10.68,845 3.584,846 4.245,847 4.906,848 5.554,849 6.072,850 6.433,851 6.849,852 7.27,853 7.536,854 7.857,855 0.833,856 39,857 8.791,859 3.651,860 7.736,861 16.651,863 13.282,865 2.236,866 53.667,869 1,870 188.338,871 113.662,872 99.365,874 20.507,877 113.662,878 208.845,879 99.365,880 28.533,882 124.915,883 37.978,884 37.88,885 15.998,886 176.567,888 188.338,889 213.027,890 20.507,893 188.338,894 20.507,897 23.957,898 146.023,899 43.047,901 188.338,902 119.873,903 113.662,906 188.338,907 26.008,908 87.654,910 119.873,911 188.338,912 119.873,913 113.662,915 0.583,916 0.352,917 0.203,918 0.107,919 18,920 9,921 0.087,922 4,923 1,924 1.133,925 3.437,926 199.68,927 0.133,928 15,929 108.039,933 16.493,934 6.633,935 3.167,936 1.048,937 119.873,938 9.525,939 8.106,941 5.497,943 3.064,945 65.794,946 421.872,947 35,952 2.032,954 1.103,956 44.131,957 49.734,958 0.286,959 0.697,960 0.832,961 0.882,962 0.891,963 0.891,964 4.82,965 1.407,966 5.714,967 3.813,968 4.317,969 4.931,970 0.908,971 6.569,972 4.254,973 6.061,974 0.864,975 7.303,976 3.028,977 4.007,978 4.844,980 7.579,981 3.921,982 7.393,983 0.707,984 8.995,985 2.139,986 5.948,987 7.232,988 0.739,989 10.705,990 5.84,991 8.765,992 0.444,993 10.746,994 1.793,995 6.447,996 7.987,998 12.551,999 6.326,1000 10.17,1001 -0.168,1002 12.535,1003 0.706,1004 7.889,1005 9.854,1006 0.593,1007 15.202,1008 7.751,1009 11.599,1010 -0.408,1011 14.352,1012 -0.426,1013 8.753,1014 11.01,1016 17.382,1017 8.605,1018 13.048,1019 -0.572,1020 16.189,1021 -1.03,1022 10.007,1023 12.665,1024 0.469,1025 19.87,1026 9.844,1027 3.215,1028 -0.792,1029 18.04,1030 -1.282,1031 11.033,1032 14.015,1034 22.181,1035 10.859,1036 3.044,1037 11.189,1038 19.903,1039 -1.88,1040 12.217,1041 15.584,1042 0.366,1043 24.611,1044 12.029,1045 2.418,1046 10.525,1047 21.775,1048 4.623,1049 13.314,1050 17.024,1052 26.973,1053 13.111,1054 2.261,1055 7.225,1056 23.655,1057 3.988,1058 14.474,1059 18.56,1060 0.283,1061 29.382,1062 14.257,1063 1.98,1064 6.485,1065 25.539,1066 3.231,1067 15.601,1068 20.043,1070 31.765,1071 15.369,1072 1.691,1073 5.789,1074 27.429,1075 2.916,1076 16.754,1077 21.568,1078 0.217,1079 34.167,1080 16.506,1081 1.521,1082 4.897,1083 29.321,1084 2.77,1085 17.894,1086 23.071,1088 36.559,1089 17.631,1090 5499,1091 9215,1092 16.819,1093 29.023,1094 39.723,1095 39.471,1096 41.317,1097 39.12,1098 39.104,1099 52.671,1100 1.72,1101 115.176,1102 37.749,1103 5.419,1104 5.302,1105 6.491,1106 5.268,1107 5.215,1108 7.623,1109 1.72,1110 18.212,1111 5.161,1112 13.527,1113 1.528,1114 1.518,1115 1.589,1116 1.505,1117 1.504,1118 2.026,1119 0.066,1120 4.43,1121 1.452,1122 4.103,1123 4.121,1124 4.082,1125 3.988,1126 5.365,1127 4.004,1128 3.923,1129 3.946,1130 3.874,1131 3.829,1132 4.987,1133 3.84,1134 3.628,1135 3.686,1136 3.506,1137 3.515,1138 4.953,1139 3.505,1140 3.392,1141 3.459,1142 3.306,1143 3.165,1144 4.864,1145 3.189,1146 3.249,1147 3.315,1148 3.063,1149 2.97,1150 4.408,1151 2.98,1152 3.09,1153 3.197,1154 2.979,1155 2.877,1156 4.296,1157 2.882,1158 3.039,1159 3.107,1160 2.884,1161 2.727,1162 4.135,1163 2.774,1164 2.874,1165 3.009,1166 2.601,1167 2.645,1168 3.901,1169 2.623,1170 0.179,1171 0.127,1172 0.262,1173 0.161,1174 0.124,1175 4.658,1176 0.178,1177 3.302,1178 0.033,1179 6.8,1180 0.43,1181 4.197,1182 0.122,1183 3.215,1184 4.623,1185 0.86,1186 11.189,1187 3.161,1188 1.957,1189 1.937,1190 2.062,1191 2.041,1192 1.263,1193 2.045,1194 1.801,1195 1.771,1196 1.893,1197 1.975,1198 1.003,1199 1.938,1200 1.648,1201 1.599,1202 1.826,1203 1.808,1204 0.94,1205 1.833,1206 1.396,1207 1.361,1208 1.573,1209 1.616,1210 0.574,1211 1.598,1212 1.197,1213 1.125,1214 1.554,1215 1.512,1216 0.517,1217 1.532,1218 1.007,1219 0.96,1220 1.417,1221 1.356,1222 0.469,1223 1.334,1224 0.957,1225 0.87,1226 1.26,1227 1.298,1228 0.254,1229 1.308,1230 0.934,1231 0.804,1232 1.205,1233 1.239,1234 0.156,1235 1.276,1236 3.97,1238 5.303,1239 2.398,1240 6.834,1241 4.727,1242 8.461,1243 6.843,1244 10.14,1246 5.912,1250 11.622,1254 5.492,1256 0.266,1262 27.73,1263 68.718,1264 167.486,1265 199.95,1266 211.95,1267 213.95,1268 213.95,1269 35.762,1270 6.987,1271 100.19,1272 100.19,1273 17,1274 12.504,1275 4.17,1276 3.322,1277 38.996,1278 76,1279 74,1280 0.258,1281 173.003,1282 290.64,1283 413.887,1284 8971,1286 17.267,1287 0.719,1288 0.579,1289 17.267,1290 13.907,1291 11.507,1292 0.443,1293 0.295,1294 7.54,1295 11.031,1296 7.253,1297 6.122,1298 11.507,1299 7.661,1300 10.489,1301 0.283,1302 0.157,1303 10.489,1304 5.793,1305 8.607,1306 0.172,1307 0.077,1308 8.607,1309 3.858,1310 7.68,1311 0.113,1312 0.04,1313 7.68,1314 2.721,1315 5.783,1316 0.072,1317 0.022,1318 5.783,1319 1.744,1320 0.39,1321 72.461,1322 0.244,1323 22.858,1324 0.751,1325 126,1326 367.386,1327 138.915,1328 356.445,1329 496.7,1330 334,1331 150,1332 379.233,1333 162.639,1334 386.374,1335 565.35,1336 361,1337 4.924}
{0 CHEMBL59530,1 1.886,2 7.2,3 2.645,4 6.995,5 78.867,6 9.179,7 0.571,8 3.594,9 3.719,10 3.307,11 3.099,12 4.923,13 3.108,14 4.036,15 4.188,16 3.695,17 3.473,18 5.495,19 3.461,20 4.243,21 4.417,22 3.831,23 3.608,24 5.52,25 3.597,26 4.306,27 4.45,28 3.877,29 3.614,30 5.796,31 3.602,32 4.37,33 4.575,34 3.574,35 3.551,36 5.651,37 3.508,38 4.403,39 4.672,40 3.464,41 3.429,42 5.548,43 3.334,44 4.195,45 4.458,46 3.556,47 3.108,48 5.719,49 3.055,50 3.768,51 3.975,52 2.872,53 2.654,54 5.214,55 2.577,56 0.192,57 0.504,58 4.624,59 2.275,60 16.788,61 2.752,62 0.324,63 0.728,64 9.172,65 4.36,66 53.72,67 5.409,68 0.371,69 0.837,70 13.955,71 4.704,72 38.636,73 5.894,74 0.504,75 0.867,76 15.241,77 5.275,78 68.457,79 6.089,80 0.461,81 0.908,82 13.395,83 4.637,84 62.441,85 5.902,86 0.558,87 0.786,88 20.215,89 5.83,90 74.288,91 8.206,92 0.655,93 0.518,94 19.669,95 4.412,96 88.13,97 6.644,98 0.493,99 0.261,100 16.32,101 3.264,102 72.992,103 3.441,104 41,105 30,106 0.352,107 0.717,108 0.808,109 0.859,110 0.859,111 0.859,112 3.059,113 0.882,114 -4.33,115 -4.26,116 -4.02,119 37.5,120 1,121 1,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 4,172 3,173 3,175 1,178 6,180 1,182 8,187 1,189 6,191 1,193 13,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,207 7,212 4,215 4,218 4,220 2,221 1,223 1,224 1,226 2,229 1,231 2,233 4,234 5,236 2,237 2,239 2,241 1,243 2,246 2,248 1,249 1,254 1,262 2,263 2,265 1,270 1,273 460,274 12.939,275 12.939,276 12.939,277 12.939,278 12.939,279 11.092,280 14.85,281 7.383,282 13.282,283 10.25,284 10.25,285 10.25,286 10.25,287 10.25,288 7.468,289 16.717,290 3.359,291 10.866,292 3.114,293 1.16,294 0.672,295 0.399,296 0.399,297 0.399,298 3.707,299 1,300 1,301 1,302 1,303 290,304 2.739,307 128.395,314 1.04,315 29.953,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 44.833,327 144,328 4.553,329 3.82,330 6.775,331 4.155,332 3.181,333 4.293,334 2.612,335 11.093,336 3.101,337 4.325,338 3.234,339 6.338,340 3.834,341 2.896,342 4.013,344 9.433,345 2.7,346 3.706,347 2.92,348 5.322,349 3.227,350 2.289,351 3.172,353 6.679,354 2.148,355 3.452,356 2.385,357 5.038,358 2.937,359 1.988,360 2.798,362 5.703,363 1.88,364 3.299,365 2.226,366 4.78,367 2.834,368 1.903,369 2.548,371 5.018,372 1.754,373 3.085,374 1.912,375 4.683,376 2.624,377 1.707,378 2.294,380 4.698,381 1.5,382 2.607,383 1.402,384 3.612,385 2,386 1,387 1.596,389 2.424,390 1,391 1.749,392 1,393 3.328,394 1.545,395 0.575,396 0.65,398 1.126,399 0.548,400 1.384,401 0.813,402 2.749,403 1.043,404 0.135,405 0.16,407 0.261,408 0.112,409 1.057,410 0.474,411 2.456,412 0.577,413 -0.283,414 -0.36,415 -0.704,416 -0.213,417 1,418 0.032,419 2.315,420 0.436,421 -0.479,422 -0.588,423 -1.15,424 -0.437,425 0.824,426 -0.305,427 2.239,428 0.167,429 -0.813,430 -0.995,431 -1.982,432 -0.791,433 0.642,434 -0.608,435 1.873,436 0.015,437 -0.917,438 -1.2,439 -2,440 -0.817,441 0.239,442 -0.677,443 1.495,445 -1,446 -1.616,448 -2.529,449 -1,450 -0.05,451 -1.022,452 1.439,453 -0.501,454 -1.312,455 -1.993,457 -3.388,458 -1.063,459 9.381,460 0.469,461 0.651,462 0.033,463 29,464 1.45,465 16,466 0.8,467 13,468 0.65,469 13.312,470 0.666,471 21.819,472 0.682,473 20.864,474 1.043,475 5.61,476 0.28,477 3.825,478 0.191,479 0.286,481 0.416,485 0.584,486 1.137,487 0.583,488 0.757,489 0.714,490 0.768,491 0.394,492 0.972,493 0.523,494 0.864,495 0.348,496 0.813,497 0.834,498 1.135,499 0.822,500 0.907,501 0.64,502 0.827,503 0.868,504 1.333,505 1.038,506 1.355,507 0.831,508 1.216,509 1.045,510 1.271,511 0.885,512 1.107,513 0.959,514 1.238,515 0.782,516 0.897,517 0.73,518 0.895,519 0.824,520 0.984,521 0.552,522 0.773,523 0.689,524 0.825,525 0.632,526 0.776,527 2.343,528 0.639,529 2.096,530 1.098,531 2.483,532 1.109,533 5,535 2.667,536 2.313,537 1.378,538 0.826,539 0.689,540 0.274,541 0.156,543 2997,544 12427,545 1.911,546 37.5,547 3,548 3,551 4,552 2,555 1.625,556 1.714,557 2.866,558 2.076,560 1,562 1,564 60.351,565 1.886,566 3.84,567 4.328,568 4.601,569 4.601,570 4.601,571 2.246,572 3.822,573 4.296,574 2.979,575 566.014,576 7.375,577 5678.65,578 1,579 1,580 1,581 1,582 160,583 1.571,584 4.201,585 0.238,587 0.089,588 0.07,589 0.043,590 0.033,591 0.034,592 0.015,593 0.019,595 0.542,596 0.33,597 1,598 1.069,599 86.506,600 0.064,601 0.129,602 -0.01,603 0.173,604 -0.127,605 0.089,606 0.298,607 0.162,608 0.18,609 0.131,610 0.303,611 0.146,612 -0.096,613 -0.041,614 0.049,615 0.074,616 -0.032,617 0.125,618 0.036,619 -0.258,620 -0.117,621 -0.361,622 0.067,623 -0.294,624 -0.28,625 -0.193,626 -0.25,627 -0.246,628 -0.2,629 -0.34,630 0.019,631 -0.019,632 0.133,633 0.036,634 -0.062,635 0.067,636 0.529,637 0.009,638 0.466,639 0.136,640 0.425,641 0.283,642 -0.614,643 0.008,644 -0.419,645 -0.011,646 -0.546,647 -0.09,648 2.55,649 3.937,650 0.6,651 12.2,652 1.032,653 1.141,654 3.096,655 9.583,656 0.683,657 3.091,658 3.434,659 3.689,660 3.951,661 4.111,662 4.143,663 4.174,664 4.06,665 3.989,666 3.664,667 4.549,668 0.671,669 293.74,670 3.091,671 4.635,672 5.485,673 6.378,674 7.249,675 8.146,676 9.024,677 9.922,678 10.803,679 11.7,680 15.6,684 2,690 2,691 1,695 3,696 2,700 7,702 12,711 2,713 1,717 1,718 32,719 14,720 1,721 21,723 33,724 12,725 10,726 3,727 3,729 2,730 2,731 1,734 1,739 1,741 10,742 2,744 2,746 1,748 2,753 1,754 1,757 12,758 6,759 4,760 8,761 1,764 5,769 1,770 2,776 1,781 2,802 2,806 1,807 1,810 20,811 2,816 1,828 1,829 6.3,835 2,836 11.667,837 5.993,838 4.472,839 1.838,840 2.545,841 1.403,842 0.963,843 4.065,844 8.855,845 3.401,846 4.06,847 4.62,848 5.215,849 5.734,850 6.019,851 6.364,852 6.594,853 6.892,854 6.979,855 0.8,856 33,857 7.315,859 3.111,860 8.264,861 13.178,863 10.328,865 2.764,866 55.278,870 94.169,871 59.401,872 105.035,873 39.149,874 50.747,877 59.401,878 184.064,879 105.035,880 14.495,881 2.535,882 94.223,883 33.571,884 15.385,885 4.227,886 94.169,887 89.896,888 94.169,889 164.436,890 50.747,891 39.149,893 94.169,895 50.747,897 16.016,898 109.18,899 78.39,901 94.169,902 155.782,903 98.549,906 94.169,907 22.147,908 42.924,910 189.261,911 94.169,912 155.782,913 98.549,915 0.588,916 0.352,917 0.195,918 0.102,919 14,920 8,921 0.091,922 3,924 1,925 2.995,926 149.416,928 12,929 84.439,933 14.499,934 5.608,935 2.84,937 150.112,938 4.441,939 8.007,943 1.843,945 65.794,946 348.501,947 29,949 -0.55,951 21.875,956 33.022,957 36.515,958 0.377,959 0.768,960 0.866,961 0.92,962 0.92,963 0.92,964 4.635,965 0.575,966 5.509,967 2.424,968 4.111,969 4.745,970 2.501,971 6.361,972 4.002,973 5.89,974 0.135,975 7.106,976 1.126,977 3.892,978 4.783,979 2.361,980 7.376,981 3.71,982 7.232,983 -0.283,984 8.801,985 0.261,986 5.746,987 7.023,988 4.154,989 10.474,990 5.555,991 8.608,992 -0.479,993 10.551,994 -0.704,995 6.275,996 7.794,997 4.506,998 12.286,999 6.026,1000 10.01,1001 -0.813,1002 12.336,1003 -1.15,1004 7.676,1005 9.575,1006 5.948,1007 14.928,1008 7.417,1009 11.431,1010 -0.917,1011 14.145,1012 -1.982,1013 8.542,1014 10.683,1015 6.556,1016 17.079,1017 8.24,1018 12.867,1019 -1,1020 15.974,1021 -2,1022 9.774,1023 12.279,1024 7.794,1025 19.557,1026 9.457,1027 3.181,1028 -1.312,1029 17.817,1030 -2.529,1031 10.793,1032 13.552,1033 8.548,1034 21.848,1035 10.442,1036 2.896,1037 11.093,1038 19.671,1039 -3.388,1040 11.962,1041 15.065,1042 9.67,1043 24.268,1044 11.592,1045 2.289,1046 9.433,1047 21.534,1048 4.293,1049 13.048,1050 16.42,1051 10.509,1052 26.618,1053 12.65,1054 1.988,1055 6.679,1056 23.404,1057 4.013,1058 14.195,1059 17.895,1060 11.563,1061 29.018,1062 13.776,1063 1.903,1064 5.703,1065 25.281,1066 3.172,1067 15.311,1068 19.292,1069 12.452,1070 31.394,1071 14.867,1072 1.707,1073 5.018,1074 27.162,1075 2.798,1076 16.453,1077 20.748,1078 13.468,1079 33.79,1080 15.987,1081 1,1082 4.698,1083 29.047,1084 2.548,1085 17.583,1086 22.167,1087 14.386,1088 36.178,1089 17.094,1090 3170,1091 6587,1092 12.948,1093 21.841,1094 31.461,1095 33.288,1096 34.036,1097 31.51,1098 31.349,1099 43.046,1100 5.225,1101 92.869,1102 29.485,1103 5.232,1104 5.82,1105 6.297,1106 5.225,1107 5.181,1108 7.293,1109 4.612,1110 17.984,1111 5.101,1112 13.016,1113 1.498,1114 1.585,1115 1.621,1116 1.5,1117 1.493,1118 2.05,1119 0.249,1120 4.422,1121 1.404,1122 4.043,1123 4.07,1124 4.093,1125 3.945,1126 7.815,1127 3.953,1128 3.823,1129 3.866,1130 3.84,1131 3.642,1132 6.999,1133 3.664,1134 3.459,1135 3.494,1136 3.514,1137 3.196,1138 5.285,1139 3.19,1140 3.39,1141 3.473,1142 3.275,1143 3.032,1144 4.982,1145 3.124,1146 3.095,1147 3.206,1148 3.204,1149 2.865,1150 4.888,1151 2.879,1152 2.875,1153 2.959,1154 2.903,1155 2.622,1156 4.466,1157 2.641,1158 2.683,1159 2.779,1160 2.59,1161 2.425,1162 4.228,1163 2.435,1164 2.598,1165 2.635,1166 2.503,1167 2.364,1168 3.965,1169 2.393,1170 0.217,1171 0.182,1172 0.323,1173 0.198,1174 0.151,1175 4.553,1176 0.204,1177 3.82,1178 0.124,1179 6.775,1180 0.528,1181 4.155,1182 0.148,1183 3.181,1184 4.293,1185 2.612,1186 11.093,1187 3.101,1188 1.97,1189 1.949,1190 2.032,1191 2.103,1192 1.195,1193 2.075,1194 1.723,1195 1.682,1196 1.86,1197 1.95,1198 1.013,1199 1.903,1200 1.385,1201 1.301,1202 1.62,1203 1.644,1204 0.603,1205 1.658,1206 1.186,1207 1.152,1208 1.285,1209 1.609,1210 0.213,1211 1.527,1212 0.995,1213 0.918,1214 1.257,1215 1.366,1216 0.132,1217 1.349,1218 0.814,1219 0.718,1220 1.123,1221 1.099,1222 0.043,1223 1.118,1224 0.653,1225 0.554,1226 0.984,1227 0.93,1229 0.962,1230 0.486,1231 0.454,1232 0.78,1233 0.741,1235 0.777,1236 3.761,1238 5.094,1240 6.629,1242 8.264,1244 9.951,1246 1.884,1247 5.793,1250 11.413,1252 0.572,1262 21.471,1263 60.351,1264 122.881,1265 138.49,1266 147.245,1267 147.245,1268 147.245,1269 44.316,1270 6.31,1271 123.64,1272 123.64,1273 12,1274 12.227,1275 3.907,1276 3.17,1277 36.104,1278 54,1279 48,1280 0.344,1281 140.897,1282 238.95,1283 335.548,1284 3465,1285 3.1,1286 14.861,1287 0.743,1288 0.569,1289 15.361,1290 11.386,1291 9.435,1292 0.449,1293 0.294,1294 5.735,1295 8.696,1296 5.573,1297 4.644,1298 9.723,1299 6.176,1300 8.758,1301 0.292,1302 0.149,1303 9.129,1304 4.473,1305 6.904,1306 0.177,1307 0.08,1308 7.263,1309 3.115,1310 5.985,1311 0.117,1312 0.041,1313 6.328,1314 2.111,1315 4.401,1316 0.073,1317 0.023,1318 4.595,1319 1.353,1320 0.511,1321 63.077,1322 0.278,1323 19.308,1324 1.033,1325 102,1326 373.234,1327 130.079,1328 392.527,1329 512.11,1330 358,1331 120,1332 358.552,1333 143.683,1334 366.731,1335 531.32,1336 343,1337 7.461}
{0 CHEMBL595497,1 1.562,2 8.75,3 3.31,4 10.955,5 96.578,6 7.373,7 0.615,8 3.886,9 4.01,10 3.436,11 3.388,12 5.052,13 3.382,14 4.37,15 4.541,16 3.773,17 3.751,18 5.49,19 3.72,20 4.522,21 4.715,22 3.832,23 3.864,24 5.56,25 3.82,26 4.611,27 4.795,28 3.871,29 3.926,30 5.736,31 3.862,32 4.72,33 4.925,34 3.723,35 3.976,36 5.693,37 3.874,38 4.778,39 5.015,40 3.728,41 3.975,42 5.662,43 3.854,44 4.768,45 5.012,46 3.702,47 3.864,48 5.733,49 3.764,50 4.644,51 4.908,52 3.501,53 3.651,54 5.668,55 3.538,56 0.048,57 0.649,58 9.218,59 3.761,60 10.973,61 4.954,62 0.277,63 0.973,64 16.593,65 6.582,66 26.501,67 8.621,68 0.143,69 1.125,70 19.409,71 7.25,72 17.723,73 10.07,74 0.327,75 1.196,76 21.346,77 8.348,78 37.084,79 11.343,80 0.314,81 1.279,82 24.623,83 9.014,84 36.445,85 12.263,86 0.209,87 1.293,88 26.838,89 10.358,90 29.862,91 14.516,92 0.43,93 1.249,94 27.62,95 8.972,96 42.473,97 12.833,98 0.446,99 1.102,100 24.873,101 7.217,102 47.223,103 10.938,104 22,105 36,106 0.27,107 0.666,108 0.82,109 0.868,110 0.875,111 0.875,112 3.229,113 0.897,114 -4.62,115 -4.54,116 -4.27,119 40.9,120 1,121 2,124 1,134 1,135 1,139 4,140 3,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 11,169 2,170 6,172 3,173 3,175 1,178 12,180 1,182 6,187 1,189 12,191 1,192 1,193 6,195 3,196 3,197 1,198 2,200 2,201 12,204 2,205 1,207 6,212 2,215 10,218 2,221 8,226 3,229 7,231 3,233 1,234 7,239 3,241 2,243 3,245 2,246 7,248 1,249 1,251 5,256 5,260 2,265 3,270 3,273 770,274 16.378,275 16.378,276 16.378,277 16.378,278 16.378,279 14.255,280 14.276,281 9.732,282 16.728,283 12.746,284 12.746,285 12.746,286 12.746,287 12.746,288 9.485,289 14.929,290 4.425,291 13.224,292 3.898,293 1.607,294 0.716,295 0.443,296 0.398,297 0.398,298 3.908,300 1,301 1,302 1,303 442,304 3.24,306 50.911,307 141.947,310 95.604,314 1.208,315 19.863,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52,327 210,328 4.654,329 3.254,330 6.79,331 4.184,332 3.205,333 4.623,334 0.86,335 11.154,336 3.144,337 4.354,338 3.145,339 6.494,340 3.969,341 2.989,342 3.967,344 10.149,345 2.929,346 3.761,347 2.556,348 5.398,349 3.307,350 2.364,351 3.217,353 6.922,354 2.232,355 3.507,356 2.342,357 5.136,358 3.076,359 2.122,360 2.847,362 6.087,363 2.015,364 3.397,365 2.065,366 5.063,367 2.921,368 1.979,369 2.739,371 5.784,372 1.863,373 2.976,374 1.749,375 4.718,376 2.605,377 1.637,378 2.139,380 4.783,381 1.58,382 2.917,383 1.663,384 4.015,385 2.463,386 1.497,387 2.084,389 3.334,390 1.437,391 2.609,392 1.322,393 3.6,394 2.274,395 1.276,396 1.627,398 2.819,399 1.273,400 2.294,401 0.941,402 3.588,403 1.872,404 0.881,405 1.212,407 2.095,408 0.872,409 2.096,410 0.887,411 3.125,412 1.756,413 0.772,414 0.982,415 1.532,416 0.758,417 1.655,418 0.798,419 2.805,420 1.342,421 0.462,422 0.53,423 0.713,424 0.402,425 1.168,426 0.051,427 2.678,428 0.872,429 -0.089,430 -0.105,431 -0.208,432 -0.085,433 0.996,434 -0.2,435 2.541,436 0.567,437 -0.376,438 -0.49,439 -0.835,440 -0.352,441 0.774,442 -0.269,443 2.245,444 0.449,445 -0.513,446 -0.585,448 -1.032,449 -0.489,450 0.684,451 -0.372,452 2,453 0.352,454 -0.575,455 -0.704,457 -1.311,458 -0.533,459 11.267,460 0.469,461 0.537,462 0.022,463 32.5,464 1.354,465 17,466 0.708,467 15.5,468 0.646,469 18.261,470 0.761,471 25.933,472 0.589,473 23.534,474 0.981,475 6.434,476 0.268,477 5.2,478 0.217,479 0.16,481 0.355,485 1.006,486 1.21,487 0.829,488 1.054,489 1.192,490 0.923,491 0.896,492 0.814,493 0.767,494 0.882,495 0.601,496 0.834,497 0.897,498 1.118,499 0.824,500 1.014,501 0.795,502 0.918,503 0.75,504 1.075,505 0.921,506 1.144,507 0.572,508 1.088,509 1.241,510 1.023,511 1.257,512 1.141,513 1.238,514 1.198,515 0.772,516 1.086,517 0.938,518 1.169,519 0.668,520 1.108,521 1.119,522 1.047,523 1.013,524 1.024,525 0.977,526 1.011,527 1.036,528 1.101,529 1.049,530 1.025,531 0.987,532 1.037,533 4.5,534 0.054,535 2.667,536 2.222,537 1.227,538 0.882,539 0.539,540 0.465,541 0.233,542 0.159,543 5623,544 15177,545 2.04,546 45.5,547 7,548 8,549 1,551 4,555 1.675,556 1.895,557 3.1,558 1.777,559 1,560 1,562 1,564 68.718,565 1.562,566 3.852,567 4.743,568 5.016,569 5.061,570 5.061,571 2.492,572 4.252,573 4.56,574 3.239,575 893.917,576 7.9,577 10341.4,579 1,581 1,582 240.215,583 1.459,584 4.507,585 0.173,586 0.009,587 0.074,588 0.058,589 0.032,590 0.028,591 0.017,592 0.016,593 0.01,594 0.012,595 0.429,597 1,598 1.112,599 112.182,600 -0.105,601 -0.012,602 0.03,603 0.006,604 -0.213,605 0.044,606 0.162,607 0.259,608 0.16,609 0.158,610 0.242,611 0.146,612 -0.042,613 -0.056,614 0.095,615 0.013,616 -0.001,617 0.071,618 0.206,619 -0.036,620 0.003,621 -0.108,622 0.313,623 -0.098,624 -0.237,625 -0.015,626 -0.317,627 -0.124,628 -0.321,629 -0.216,630 0.013,631 -0.171,632 0.01,633 -0.126,634 0.024,635 -0.071,636 -0.001,637 -0.126,638 -0.008,639 -0.052,640 -0.031,641 -0.034,642 0.068,643 -0.164,644 -0.023,645 -0.106,646 0.087,647 -0.088,648 1.566,649 2.002,650 0.625,651 17.417,652 1.003,653 1.13,654 3.393,655 11.515,656 0.66,657 3.296,658 3.611,659 3.912,660 4.22,661 4.369,662 4.443,663 4.5,664 4.575,665 4.575,666 4.522,667 5.353,668 0.63,669 324.42,670 3.296,671 4.828,672 5.687,673 6.578,674 7.456,675 8.355,676 9.241,677 10.142,678 11.031,679 11.934,680 9.1,684 2,690 2,694 2,695 5,696 2,698 1,700 5,702 16,711 2,716 1,718 44,719 17,720 1,721 26,723 46,724 18,725 12,726 2,727 4,728 2,729 3,730 4,734 1,739 2,741 14,742 4,744 1,749 1,751 1,753 1,754 1,756 1,757 20,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,795 1,796 1,802 2,806 2,810 24,811 2,816 2,818 1,829 4.5,834 2,836 12.667,837 8.4,838 5.472,839 2.61,840 3.693,841 1.529,842 0.99,843 4.833,844 10.68,845 3.584,846 4.23,847 4.891,848 5.546,849 6.056,850 6.417,851 6.827,852 7.253,853 7.524,854 7.842,855 0.833,856 38,857 8.795,859 3.634,860 7.722,861 16.71,863 13.263,865 2.222,866 53.333,869 1,870 188.338,871 109.906,872 99.365,874 20.507,877 109.906,878 208.845,879 99.365,880 19.708,881 5.069,882 124.915,883 37.978,884 37.88,885 15.998,886 176.567,888 188.338,889 209.271,890 20.507,893 188.338,894 20.507,897 20.201,898 146.023,899 43.047,901 188.338,902 119.873,903 109.906,906 188.338,907 31.077,908 78.829,910 119.873,911 188.338,912 119.873,913 109.906,915 0.569,916 0.347,917 0.208,918 0.109,919 17,920 8,921 0.109,922 5,923 1,924 1.133,925 3.486,926 197.25,927 0.133,928 15,929 110.039,933 16.493,934 7.033,935 3.304,936 1.065,937 119.873,938 9.561,939 8.108,941 5.495,943 3.123,945 65.794,946 418.116,947 35,952 2.045,954 1.133,956 44.131,957 49.734,958 0.286,959 0.706,960 0.869,961 0.919,962 0.927,963 0.927,964 4.804,965 1.276,966 5.673,967 3.334,968 4.29,969 4.916,970 0.908,971 6.515,972 4.225,973 6.033,974 0.881,975 7.248,976 2.819,977 3.892,978 4.796,980 7.489,981 3.794,982 7.359,983 0.772,984 8.926,985 2.095,986 5.9,987 7.216,988 0.739,989 10.623,990 5.786,991 8.727,992 0.462,993 10.667,994 1.532,995 6.347,996 7.959,998 12.451,999 6.212,1000 10.13,1001 -0.089,1002 12.448,1003 0.713,1004 7.82,1005 9.838,1006 0.593,1007 15.097,1008 7.673,1009 11.558,1010 -0.376,1011 14.258,1012 -0.208,1013 8.658,1014 10.991,1016 17.266,1017 8.493,1018 13.005,1019 -0.513,1020 16.088,1021 -0.835,1022 9.924,1023 12.651,1024 0.469,1025 19.747,1026 9.746,1027 3.205,1028 -0.575,1029 17.934,1030 -1.032,1031 10.936,1032 14,1034 22.049,1035 10.742,1036 2.989,1037 11.154,1038 19.791,1039 -1.311,1040 12.123,1041 15.571,1042 0.366,1043 24.472,1044 11.914,1045 2.364,1046 10.149,1047 21.659,1048 4.623,1049 13.212,1050 17.012,1052 26.827,1053 12.986,1054 2.122,1055 6.922,1056 23.533,1057 3.967,1058 14.37,1059 18.549,1060 0.283,1061 29.23,1062 14.128,1063 1.979,1064 6.087,1065 25.413,1066 3.217,1067 15.492,1068 20.032,1070 31.608,1071 15.232,1072 1.637,1073 5.784,1074 27.298,1075 2.847,1076 16.642,1077 21.557,1078 0.217,1079 34.005,1080 16.365,1081 1.497,1082 4.783,1083 29.187,1084 2.739,1085 17.778,1086 23.061,1088 36.393,1089 17.483,1090 5586,1091 9333,1092 17.107,1093 29.023,1094 38.824,1095 38.735,1096 40.537,1097 38.385,1098 38.365,1099 51.931,1100 1.72,1101 110.74,1102 37.012,1103 5.448,1104 5.254,1105 6.553,1106 5.256,1107 5.205,1108 7.623,1109 1.72,1110 18.104,1111 5.144,1112 12.347,1113 1.493,1114 1.49,1115 1.559,1116 1.476,1117 1.476,1118 1.997,1119 0.066,1120 4.259,1121 1.424,1122 4.101,1123 4.119,1124 4.081,1125 3.984,1126 5.365,1127 4.001,1128 3.92,1129 3.943,1130 3.87,1131 3.827,1132 4.987,1133 3.838,1134 3.619,1135 3.682,1136 3.486,1137 3.498,1138 4.953,1139 3.485,1140 3.409,1141 3.478,1142 3.312,1143 3.206,1144 4.863,1145 3.218,1146 3.249,1147 3.315,1148 3.064,1149 2.983,1150 4.401,1151 2.995,1152 3.169,1153 3.228,1154 3.033,1155 2.955,1156 4.255,1157 2.965,1158 3.076,1159 3.196,1160 2.945,1161 2.728,1162 4.131,1163 2.776,1164 2.788,1165 2.864,1166 2.605,1167 2.654,1168 3.958,1169 2.631,1170 0.179,1171 0.125,1172 0.261,1173 0.161,1174 0.123,1175 4.654,1176 0.178,1177 3.254,1178 0.033,1179 6.79,1180 0.429,1181 4.184,1182 0.121,1183 3.205,1184 4.623,1185 0.86,1186 11.154,1187 3.144,1188 1.952,1189 1.932,1190 2.057,1191 2.038,1192 1.277,1193 2.041,1194 1.801,1195 1.771,1196 1.899,1197 1.974,1198 1.043,1199 1.938,1200 1.642,1201 1.588,1202 1.835,1203 1.809,1204 0.95,1205 1.839,1206 1.429,1207 1.389,1208 1.599,1209 1.638,1210 0.632,1211 1.627,1212 1.197,1213 1.125,1214 1.572,1215 1.512,1216 0.574,1217 1.532,1218 1.113,1219 1.063,1220 1.37,1221 1.369,1222 0.4,1223 1.372,1224 0.957,1225 0.877,1226 1.241,1227 1.356,1228 0.204,1229 1.325,1230 0.833,1231 0.752,1232 1.142,1233 1.172,1234 0.14,1235 1.183,1236 3.97,1238 5.283,1239 2.398,1240 6.801,1241 4.727,1242 8.421,1243 6.843,1244 10.094,1246 3.805,1250 11.619,1252 1.89,1254 5.489,1262 27.73,1263 68.718,1264 169.486,1265 208.705,1266 220.705,1267 222.705,1268 222.705,1269 34.69,1270 6.987,1271 100.19,1272 100.19,1273 17,1274 12.456,1275 4.17,1276 3.322,1277 38.992,1278 77,1279 74,1280 0.253,1281 173.003,1282 290.64,1283 413.887,1284 9025,1286 17.104,1287 0.713,1288 0.573,1289 17.104,1290 13.744,1291 11.635,1292 0.447,1293 0.299,1294 7.657,1295 11.158,1296 7.43,1297 6.257,1298 11.635,1299 7.778,1300 10.13,1301 0.281,1302 0.152,1303 10.13,1304 5.458,1305 8.496,1306 0.173,1307 0.078,1308 8.496,1309 3.809,1310 7.712,1311 0.115,1312 0.041,1313 7.712,1314 2.766,1315 5.711,1316 0.073,1317 0.022,1318 5.711,1319 1.746,1320 0.384,1321 73.225,1322 0.242,1323 22.942,1324 0.732,1325 124,1326 365.386,1327 136.915,1328 353.791,1329 492.86,1330 332,1331 147,1332 375.233,1333 159.639,1334 381.348,1335 558.58,1336 357,1337 4.818}
{0 CHEMBL595757,1 1.542,2 8.708,3 3.355,4 11.259,5 95.676,6 7.097,7 0.615,8 3.924,9 4.053,10 3.442,11 3.414,12 5.054,13 3.399,14 4.439,15 4.618,16 3.802,17 3.807,18 5.501,19 3.766,20 4.639,21 4.833,22 3.874,23 3.972,24 5.605,25 3.906,26 4.837,27 5.054,28 3.92,29 4.07,30 5.83,31 3.973,32 4.928,33 5.162,34 3.805,35 4.104,36 5.838,37 3.983,38 4.933,39 5.183,40 3.76,41 4.068,42 5.799,43 3.929,44 4.87,45 5.139,46 3.669,47 3.885,48 5.799,49 3.757,50 4.645,51 4.945,52 3.413,53 3.569,54 5.656,55 3.456,56 0.038,57 0.677,58 10.203,59 4.025,60 12.536,61 5.506,62 0.273,63 1.035,64 18.453,65 7.196,66 29.802,67 9.682,68 0.118,69 1.257,70 22.355,71 8.425,72 21.368,73 11.979,74 0.39,75 1.413,76 28.432,77 10.6,78 47.061,79 14.928,80 0.38,81 1.491,82 31.852,83 10.93,84 50.201,85 15.624,86 0.286,87 1.446,88 32.19,89 11.577,90 42.545,91 16.621,92 0.439,93 1.312,94 31.295,95 9.598,96 49.293,97 14.489,98 0.511,99 1.055,100 25.681,101 6.07,102 58.028,103 10.258,104 30,105 37,106 0.265,107 0.638,108 0.793,109 0.838,110 0.845,111 0.845,112 3.229,113 0.915,114 -4.7,115 -4.62,116 -4.34,119 39.1,120 2,121 1,122 2,124 1,139 4,140 3,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 11,169 2,170 6,172 3,173 3,175 1,178 13,180 1,182 6,187 1,189 13,191 1,192 1,193 6,195 3,196 3,197 1,198 2,200 2,201 12,204 2,205 1,207 7,212 2,215 11,218 2,221 8,226 3,229 5,231 3,233 1,234 8,239 4,241 1,243 4,245 2,246 5,248 1,249 1,251 4,256 4,260 2,265 4,270 4,273 752,274 16.008,275 16.008,276 16.008,277 16.008,278 16.008,279 14.054,280 16.074,281 9.285,282 16.358,283 12.755,284 12.755,285 12.755,286 12.755,287 12.755,288 9.79,289 16.969,290 4.273,291 13.232,292 3.982,293 1.82,294 0.919,295 0.658,296 0.614,297 0.614,298 3.905,300 1,301 1,302 1,303 440,304 3.391,306 50.747,307 141.563,310 95.32,314 1.174,315 20.833,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52,327 209,328 4.643,329 3.376,330 6.8,331 4.197,332 3.215,333 4.609,334 0.86,335 11.189,336 3.161,337 4.317,338 3.21,339 6.621,340 4.026,341 3.044,342 3.872,344 10.525,345 2.989,346 3.725,347 2.642,348 5.605,349 3.379,350 2.418,351 3.16,353 7.225,354 2.326,355 3.503,356 2.408,357 5.268,358 3.203,359 2.261,360 2.794,362 6.485,363 2.122,364 3.401,365 2.066,366 5.063,367 2.923,368 1.98,369 2.629,371 5.789,372 1.865,373 3.007,374 1.875,375 4.748,376 2.659,377 1.691,378 2.167,380 4.897,381 1.632,382 2.917,383 1.785,384 4.333,385 2.475,386 1.521,387 2.086,389 3.813,390 1.442,391 2.745,392 1.47,393 3.652,394 2.406,395 1.407,396 1.816,398 3.028,399 1.405,400 2.3,401 0.941,402 3.59,403 1.85,404 0.864,405 1.216,407 2.139,408 0.851,409 1.928,410 0.889,411 3.441,412 1.688,413 0.707,414 0.846,415 1.793,416 0.692,417 1.597,418 0.715,419 2.817,420 1.33,421 0.444,422 0.498,423 0.706,424 0.389,425 1.135,426 0.117,427 2.68,428 0.776,429 -0.168,430 -0.203,431 -0.426,432 -0.158,433 0.932,434 -0.236,435 2.555,436 0.529,437 -0.408,438 -0.525,439 -1.03,440 -0.38,441 0.718,442 -0.319,443 2.245,444 0.358,445 -0.572,446 -0.68,448 -1.282,449 -0.529,450 0.571,451 -0.517,452 2,453 0.161,454 -0.792,455 -0.958,457 -1.88,458 -0.748,459 11.267,460 0.469,461 0.665,462 0.028,463 31,464 1.292,465 15.5,466 0.646,467 15.5,468 0.646,469 20.786,470 0.866,471 26.533,472 0.577,473 22.014,474 0.917,475 5.927,476 0.247,477 5.58,478 0.233,479 0.204,481 0.399,485 0.999,486 1.262,487 0.862,488 1.109,489 1.191,490 0.975,491 0.86,492 0.838,493 0.77,494 0.904,495 0.567,496 0.852,497 0.836,498 1.217,499 0.924,500 1.162,501 0.783,502 1.07,503 0.761,504 1.046,505 0.947,506 1.135,507 0.617,508 1.096,509 1.203,510 0.963,511 1.182,512 1.072,513 1.156,514 1.12,515 0.932,516 1.06,517 1.017,518 1.143,519 0.81,520 1.113,521 1.045,522 1.1,523 0.966,524 1.023,525 0.898,526 0.997,527 1.09,528 0.804,529 1.002,530 0.723,531 1.297,532 0.803,533 5,534 0.054,535 2.889,536 2.347,537 1.547,538 0.997,539 0.696,540 0.381,541 0.265,542 0.124,543 5527,544 14480,545 2.015,546 47.8,547 10,548 7,549 1,551 4,555 1.675,556 1.846,557 3.093,558 1.777,559 1,560 1,564 70.918,565 1.542,566 3.704,567 4.605,568 4.866,569 4.909,570 4.909,571 2.47,572 4.137,573 4.561,574 3.222,575 889.196,576 7.901,577 10176.4,579 1,581 1,582 254.084,583 1.528,584 4.493,585 0.192,586 0.011,587 0.078,588 0.06,589 0.04,590 0.029,591 0.022,592 0.014,593 0.013,594 0.01,595 0.468,597 1,598 0.961,599 111.811,600 -0.092,601 -0.021,602 0.035,604 -0.191,605 0.04,606 0.17,607 0.259,608 0.173,609 0.166,610 0.269,611 0.158,612 -0.04,613 -0.126,614 -0.006,615 -0.096,616 -0.029,617 -0.05,618 0.168,619 -0.044,620 0.001,621 -0.09,622 0.221,623 -0.082,624 -0.195,625 0.02,626 -0.216,627 -0.064,628 -0.233,629 -0.13,630 -0.049,631 -0.14,632 -0.058,633 -0.118,634 -0.056,635 -0.096,636 0.034,637 -0.207,638 0.039,639 -0.068,640 0.048,641 -0.025,642 0.026,643 0.151,644 0.04,645 0.113,646 -0.03,647 0.093,648 1.55,649 2.041,650 0.625,651 16.667,652 1,653 1.134,654 3.471,655 12.047,656 0.647,657 3.296,658 3.638,659 3.932,660 4.234,661 4.394,662 4.454,663 4.511,664 4.575,665 4.575,666 4.522,667 5.269,668 0.614,669 326.44,670 3.296,671 4.844,672 5.707,673 6.605,674 7.488,675 8.391,676 9.281,677 10.185,678 11.078,679 11.983,680 8.7,684 2,690 2,694 2,695 5,696 2,698 1,700 5,702 16,711 2,716 1,718 46,719 16,720 1,721 26,723 48,724 18,725 12,726 2,727 4,729 3,730 4,734 2,739 1,741 12,742 6,743 2,753 1,754 1,756 1,757 22,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,806 3,810 24,811 2,816 1,818 1,820 2,829 4.3,834 2,836 13,837 8.983,838 5.333,839 2.658,840 3.052,841 1.437,842 0.967,843 4.739,844 10.039,845 3.555,846 4.201,847 4.829,848 5.458,849 5.927,850 6.205,851 6.525,852 6.872,853 6.983,854 7.17,855 0.833,856 39,857 8.818,859 3.679,860 7.701,861 16.851,863 13.676,865 2.201,866 52.833,869 1,870 211.88,871 103.534,872 99.365,874 20.507,877 103.534,878 232.387,879 99.365,880 28.533,881 2.535,882 115.439,883 37.978,884 34.695,885 15.998,886 200.109,888 211.88,889 202.9,890 20.507,893 211.88,894 20.507,897 26.491,898 142.837,899 33.571,901 211.88,902 119.873,903 103.534,906 211.88,907 25.356,908 78.178,910 119.873,911 211.88,912 119.873,913 103.534,915 0.583,916 0.352,917 0.203,918 0.107,919 18,920 9,921 0.104,922 5,923 1,924 1.133,925 3.437,926 199.68,927 0.133,928 15,929 108.039,933 16.743,934 6.793,935 3.261,936 1.169,937 119.873,938 9.778,939 8.164,941 5.541,943 3.499,945 65.794,946 435.287,947 34,956 46.014,957 52.149,958 0.279,959 0.671,960 0.834,961 0.881,962 0.889,963 0.889,964 4.796,965 1.407,966 5.714,967 3.813,968 4.317,969 4.887,970 0.908,971 6.569,972 4.254,973 6.023,974 0.864,975 7.303,976 3.028,977 4.007,978 4.796,980 7.579,981 3.921,982 7.348,983 0.707,984 8.995,985 2.139,986 5.948,987 7.161,988 0.739,989 10.705,990 5.84,991 8.712,992 0.444,993 10.746,994 1.793,995 6.447,996 7.915,998 12.551,999 6.326,1000 10.109,1001 -0.168,1002 12.535,1003 0.706,1004 7.889,1005 9.773,1006 0.593,1007 15.202,1008 7.751,1009 11.531,1010 -0.408,1011 14.352,1012 -0.426,1013 8.753,1014 10.93,1016 17.382,1017 8.605,1018 12.972,1019 -0.572,1020 16.189,1021 -1.03,1022 10.007,1023 12.583,1024 0.469,1025 19.87,1026 9.844,1027 3.215,1028 -0.792,1029 18.04,1030 -1.282,1031 11.033,1032 13.933,1034 22.181,1035 10.859,1036 3.044,1037 11.189,1038 19.903,1039 -1.88,1040 12.217,1041 15.502,1042 0.366,1043 24.611,1044 12.029,1045 2.418,1046 10.525,1047 21.775,1048 4.609,1049 13.314,1050 16.943,1052 26.973,1053 13.111,1054 2.261,1055 7.225,1056 23.655,1057 3.872,1058 14.474,1059 18.479,1060 0.283,1061 29.382,1062 14.257,1063 1.98,1064 6.485,1065 25.539,1066 3.16,1067 15.601,1068 19.962,1070 31.765,1071 15.369,1072 1.691,1073 5.789,1074 27.429,1075 2.794,1076 16.754,1077 21.487,1078 0.217,1079 34.167,1080 16.506,1081 1.521,1082 4.897,1083 29.321,1084 2.629,1085 17.894,1086 22.99,1088 36.559,1089 17.631,1090 5499,1091 9046,1092 16.819,1093 29.784,1094 39.396,1095 39.473,1096 41.317,1097 39.12,1098 39.104,1099 51.385,1100 1.72,1101 115.176,1102 37.749,1103 5.498,1104 5.376,1105 6.491,1106 5.268,1107 5.215,1108 7.609,1109 1.72,1110 18.212,1111 5.161,1112 13.527,1113 1.515,1114 1.518,1115 1.589,1116 1.505,1117 1.504,1118 1.976,1119 0.066,1120 4.43,1121 1.452,1122 4.102,1123 4.123,1124 4.076,1125 3.978,1126 5.362,1127 3.994,1128 3.932,1129 3.957,1130 3.876,1131 3.839,1132 4.984,1133 3.848,1134 3.634,1135 3.694,1136 3.496,1137 3.515,1138 4.946,1139 3.502,1140 3.406,1141 3.477,1142 3.318,1143 3.18,1144 4.856,1145 3.202,1146 3.249,1147 3.315,1148 3.063,1149 2.971,1150 4.391,1151 2.98,1152 3.107,1153 3.197,1154 2.981,1155 2.889,1156 4.22,1157 2.89,1158 3.064,1159 3.163,1160 2.888,1161 2.728,1162 4.135,1163 2.775,1164 2.874,1165 3.009,1166 2.617,1167 2.651,1168 3.818,1169 2.631,1170 0.179,1171 0.13,1172 0.262,1173 0.161,1174 0.124,1175 4.643,1176 0.177,1177 3.376,1178 0.033,1179 6.8,1180 0.43,1181 4.197,1182 0.122,1183 3.215,1184 4.609,1185 0.86,1186 11.189,1187 3.161,1188 1.96,1189 1.935,1190 2.088,1191 2.054,1192 1.4,1193 2.064,1194 1.808,1195 1.777,1196 1.899,1197 1.98,1198 1.009,1199 1.943,1200 1.654,1201 1.602,1202 1.839,1203 1.818,1204 0.998,1205 1.841,1206 1.425,1207 1.386,1208 1.616,1209 1.647,1210 0.671,1211 1.642,1212 1.197,1213 1.125,1214 1.573,1215 1.512,1216 0.574,1217 1.532,1218 1.043,1219 0.986,1220 1.417,1221 1.357,1222 0.469,1223 1.347,1224 0.957,1225 0.874,1226 1.299,1227 1.344,1228 0.335,1229 1.313,1230 0.934,1231 0.804,1232 1.229,1233 1.239,1234 0.168,1235 1.308,1236 3.97,1238 5.303,1239 2.398,1240 6.834,1241 4.727,1242 8.461,1243 6.843,1244 10.14,1246 6.076,1250 11.667,1252 0.752,1254 5.533,1256 0.654,1262 28.256,1263 70.918,1264 170.368,1265 211.819,1266 223.819,1267 225.819,1268 225.819,1269 38.658,1270 6.987,1271 100.19,1272 100.19,1273 17,1274 12.504,1275 4.087,1276 3.17,1277 38.996,1278 76,1279 74,1280 0.258,1281 175.93,1282 293.28,1283 421.03,1284 8971,1286 17.267,1287 0.719,1288 0.588,1289 17.267,1290 14.114,1291 11.507,1292 0.443,1293 0.305,1294 7.808,1295 11.031,1296 7.516,1297 6.331,1298 11.507,1299 7.929,1300 10.489,1301 0.283,1302 0.168,1303 10.489,1304 6.205,1305 8.607,1306 0.172,1307 0.087,1308 8.607,1309 4.338,1310 7.68,1311 0.113,1312 0.046,1313 7.68,1314 3.111,1315 5.783,1316 0.072,1317 0.026,1318 5.783,1319 2.07,1320 0.39,1321 72.461,1322 0.244,1323 22.858,1324 0.751,1325 126,1326 355.386,1327 138.915,1328 343.61,1329 477.05,1330 322,1331 150,1332 362.233,1333 162.639,1334 368.455,1335 538.68,1336 344,1337 4.9}
{0 CHEMBL596672,1 1.873,2 13.323,3 1.642,4 2.696,5 113.076,6 8.91,7 0.485,8 4.043,9 4.141,10 3.755,11 3.543,12 5.366,13 3.555,14 4.505,15 4.631,16 4.183,17 3.921,18 5.959,19 3.906,20 4.748,21 4.899,22 4.237,23 4.056,24 6.045,25 4.015,26 4.833,27 4.986,28 4.186,29 4.021,30 6.19,31 3.986,32 4.812,33 4.984,34 4.128,35 3.953,36 6.271,37 3.927,38 4.71,39 4.878,40 4.062,41 3.92,42 6.235,43 3.867,44 4.639,45 4.821,46 3.837,47 3.823,48 6.073,49 3.757,50 4.55,51 4.775,52 3.741,53 3.676,54 5.811,55 3.602,56 0.279,57 0.764,58 8.216,59 4.307,60 41.072,61 4.344,62 0.613,63 1.159,64 15.973,65 7.613,66 93.982,67 8.431,68 0.792,69 1.387,70 24.647,71 9.416,72 112.787,73 9.89,74 1.033,75 1.404,76 30.596,77 10.081,78 143.329,79 10.411,80 1.214,81 1.309,82 27.364,83 8.457,84 180.567,85 9.236,86 0.973,87 1.198,88 26.714,89 9.408,90 160.073,91 11.135,92 0.821,93 1.123,94 24.269,95 8.613,96 133.21,97 10.044,98 0.738,99 1.008,100 23.626,101 7.649,102 93.325,103 9.72,104 74,105 47,106 0.313,107 0.722,108 0.828,109 0.868,110 0.875,111 0.875,112 3.471,113 0.893,114 -3.3,115 -3.29,116 -3.15,119 38,120 1,121 2,127 1,139 4,140 3,141 1,144 1,147 1,150 1,153 3,155 1,157 2,158 2,159 2,161 2,165 2,166 7,167 1,169 2,170 7,172 3,173 6,175 4,176 1,178 8,179 2,180 1,182 7,185 1,186 1,187 6,189 6,190 1,191 1,192 1,193 9,194 1,195 3,196 3,197 1,198 5,199 1,200 2,201 4,202 1,203 1,204 2,205 1,206 1,207 5,208 2,210 2,211 1,212 3,213 2,215 9,216 2,218 2,220 1,221 6,222 1,224 2,225 1,226 5,229 9,230 3,231 2,233 1,234 7,237 1,239 5,241 4,242 2,243 2,245 1,246 6,249 1,251 7,254 1,255 3,256 4,260 6,265 8,268 1,270 3,273 1564,274 20.016,275 20.016,276 20.016,277 20.016,278 20.016,279 17.531,280 20.715,281 11.575,282 20.41,283 16.24,284 16.24,285 16.24,286 16.24,287 16.24,288 12.419,289 21.352,290 5.5,291 16.915,292 3.771,293 1.327,294 0.695,295 0.455,296 0.415,297 0.415,298 4.145,301 1,303 861,304 4.472,306 78.258,307 212.954,310 150.942,314 2.162,315 53.537,318 0.5,319 0.67,320 0.67,321 0.4,323 0.5,324 0.5,325 0.46,326 70.5,327 413,328 4.7,329 4.576,330 6.875,331 4.229,332 3.261,333 4.676,334 2.95,335 11.407,336 3.159,337 4.209,338 3.777,339 6.116,340 3.883,341 2.893,342 3.776,343 2.375,344 8.892,345 2.861,346 3.928,347 3.592,348 5.84,349 3.64,350 2.668,351 3.35,352 2.341,353 8.005,354 2.602,355 3.84,356 3.522,357 5.769,358 3.446,359 2.521,360 3.113,361 1.061,362 7.779,363 2.294,364 3.641,365 3.365,366 5.268,367 3.216,368 2.271,369 2.949,370 0.14,371 6.592,372 2.161,373 3.523,374 2.911,375 5.124,376 3.172,377 2.17,378 2.806,380 5.997,381 2.116,382 3.429,383 2.315,384 4.938,385 2.961,386 2.02,387 2.686,389 5.446,390 1.895,391 3.208,392 2.162,393 4.645,394 2.742,395 1.797,396 2.473,398 5.12,399 1.686,400 2.861,401 2.041,402 4.257,403 2.426,404 1.445,405 1.906,407 3.767,408 1.395,409 2.529,410 1.981,411 4.16,412 2.172,413 1.209,414 1.529,415 3.309,416 1.147,417 2.5,418 1.718,419 3.619,420 2.092,421 1.094,422 1.5,423 2.599,424 1.076,425 2.468,426 1.104,427 3.414,428 2,429 1,430 1.356,431 2.275,432 1,433 1.574,434 1,435 3.066,436 1.352,437 0.36,438 0.403,439 0.826,440 0.35,441 1.39,442 0.811,443 2.803,444 0.988,445 0.083,446 0.103,448 0.226,449 0.073,450 1.144,451 0.541,452 2.723,453 0.753,454 -0.181,455 -0.226,457 -0.465,458 -0.168,459 14.333,460 0.462,461 1.021,462 0.033,463 40.25,464 1.298,465 20,466 0.645,467 20.25,468 0.653,469 25.806,470 0.832,471 34.267,472 0.685,473 34.283,474 1.106,475 8.115,476 0.262,477 6.536,478 0.211,479 0.207,481 0.419,485 0.931,486 1.128,487 0.745,488 0.861,489 0.831,490 0.788,491 0.443,492 0.987,493 0.66,494 1.002,495 0.408,496 0.909,497 1.013,498 1.127,499 1.108,500 1.069,501 0.986,502 1.001,503 1.212,504 1.125,505 1.356,506 1.245,507 1.149,508 1.137,509 1.27,510 0.798,511 1.065,512 0.802,513 1.155,514 0.932,515 0.693,516 1.077,517 0.944,518 1.183,519 0.7,520 1.101,521 0.855,522 1.109,523 1.119,524 1.167,525 0.874,526 1.18,527 0.735,528 0.954,529 0.844,530 0.902,531 0.774,532 0.93,533 8,534 0.206,535 3.778,536 2.917,537 1.992,538 1.376,539 0.619,540 0.477,541 0.369,542 0.237,543 13184,544 51236,545 1.957,546 38,547 3,548 5,551 7,552 2,553 2,555 1.732,556 1.771,557 3.656,558 4.21,560 1,564 93.652,565 1.873,566 4.317,567 4.949,568 5.189,569 5.229,570 5.229,571 3.1,572 4.696,573 4.926,574 3.884,575 1806.03,576 8.58,577 26923.8,579 1,581 1,582 282.193,583 1.565,584 4.847,585 0.242,586 0.01,587 0.08,588 0.061,589 0.044,590 0.034,591 0.016,592 0.014,593 0.013,594 0.009,595 0.524,596 0.17,597 0.88,598 1.718,599 164.021,600 -0.201,601 0.068,602 -0.012,603 0.147,604 -0.172,605 0.115,606 0.295,607 0.139,608 0.205,609 0.053,610 0.238,611 0.06,612 -0.149,613 -0.048,614 -0.07,615 0.033,616 -0.143,617 -0.02,618 -0.178,619 -0.1,620 -0.247,621 -0.14,622 -0.171,623 -0.166,624 -0.169,625 0.181,626 -0.103,627 0.14,628 -0.096,629 0.006,630 0.212,631 -0.139,632 0.071,633 -0.109,634 0.252,635 -0.047,636 0.008,637 -0.152,638 -0.144,639 -0.145,640 0.055,641 -0.147,642 0.071,643 -0.036,644 0.159,645 0.073,646 0.023,647 0.138,648 2.967,649 5.327,650 0.484,651 34.724,652 1.035,653 1.131,654 2.073,655 4.298,656 0.675,657 3.526,658 3.871,659 4.094,660 4.344,661 4.533,662 4.625,663 4.663,664 4.771,665 4.828,666 4.86,667 7.924,668 0.665,669 445.5,670 3.526,671 5.081,672 5.922,673 6.806,674 7.669,675 8.558,676 9.432,677 10.325,678 11.205,679 12.102,680 10,684 2,687 1,690 2,694 2,695 4,696 2,698 1,700 6,702 16,707 1,711 2,718 50,719 19,720 1,721 33,723 52,724 19,725 12,726 2,727 4,728 1,729 3,730 4,734 1,739 3,741 15,742 4,744 3,748 3,751 3,754 1,756 1,757 19,758 11,759 7,760 12,761 1,764 5,769 0.667,770 6,776 1,780 1,781 2,784 1,792 2,800 2,802 2,803 1,804 1,806 1,810 31,811 2,815 2,816 2,817 1,819 1,820 1,829 12,831 2,832 3,834 1,836 17.5,837 8.967,838 6.75,839 2.647,840 3.296,841 1.435,842 0.932,843 7.048,844 10.872,845 3.807,846 4.428,847 4.967,848 5.562,849 6.074,850 6.411,851 6.762,852 7.157,853 7.393,854 7.698,855 0.889,856 48,857 11.488,859 5.041,860 8.323,861 20.566,863 16.5,865 2.823,866 87.5,870 141.253,871 113.486,872 117.376,874 170.309,876 32.22,877 81.267,878 311.562,879 117.376,880 8.825,881 23.08,882 103.699,883 205.304,884 23.816,885 4.227,886 173.473,888 141.253,889 198.643,890 170.309,891 32.22,893 117.711,894 193.851,897 42.025,898 123.047,899 33.571,900 32.22,901 141.253,902 287.685,903 113.486,906 141.253,907 66.756,908 46.73,909 18.011,910 269.674,911 141.253,912 287.685,913 113.486,915 0.592,916 0.331,917 0.171,918 0.095,919 21,920 12,921 0.154,922 8,923 1,924 1.133,925 4.14,926 266.678,927 0.133,928 15,929 149.58,930 1,933 22.871,934 9.554,935 5.467,936 0.857,937 287.685,938 6.39,939 7.963,941 5.727,943 2.502,945 169.172,946 542.425,947 44,951 34.216,954 -3.059,956 51.734,957 56.574,958 0.332,959 0.765,960 0.877,961 0.919,962 0.926,963 0.926,964 5.056,965 1.797,966 5.938,967 5.446,968 4.554,969 5.115,970 3.646,971 6.756,972 4.476,973 6.292,974 1.445,975 7.512,976 5.12,977 4.29,978 5.103,979 2.882,980 7.681,981 4.181,982 7.616,983 1.209,984 9.181,985 3.767,986 6.163,987 7.348,988 5.442,989 10.765,990 6.018,991 8.972,992 1.094,993 10.904,994 3.309,995 6.648,996 8.119,997 4.828,998 12.511,999 6.482,1000 10.357,1001 1,1002 12.663,1003 2.599,1004 8.057,1005 9.918,1006 7.439,1007 15.148,1008 7.859,1009 11.764,1010 0.36,1011 14.447,1012 2.275,1013 8.887,1014 11.077,1015 6.631,1016 17.271,1017 8.671,1018 13.189,1019 0.083,1020 16.252,1021 0.826,1022 10.122,1023 12.707,1024 9.509,1025 19.757,1026 9.877,1027 3.261,1028 -0.181,1029 18.073,1030 0.226,1031 11.121,1032 14.064,1033 8.385,1034 22.052,1035 10.855,1036 2.893,1037 11.407,1038 19.908,1039 -0.465,1040 12.293,1041 15.629,1042 11.615,1043 24.492,1044 12,1045 2.668,1046 8.892,1047 21.756,1048 4.676,1049 13.373,1050 17.083,1051 10.118,1052 26.863,1053 13.056,1054 2.521,1055 8.005,1056 23.613,1057 3.776,1058 14.527,1059 18.626,1060 13.741,1061 29.291,1062 14.182,1063 2.271,1064 7.779,1065 25.48,1066 3.35,1067 15.649,1068 20.125,1069 11.843,1070 31.696,1071 15.275,1072 2.17,1073 6.592,1074 27.355,1075 3.113,1076 16.802,1077 21.662,1078 15.881,1079 34.123,1080 16.399,1081 2.02,1082 5.997,1083 29.236,1084 2.949,1085 17.944,1086 23.183,1087 13.563,1088 36.543,1089 17.512,1090 13084,1091 25900,1092 20.808,1093 33.733,1094 50.267,1095 54.086,1096 52.122,1097 49.655,1098 49.58,1099 65.254,1100 17.734,1101 144.478,1102 47.633,1103 5.61,1104 6.576,1105 6.289,1106 5.37,1107 5.261,1108 7.676,1109 5.9,1110 18.553,1111 5.159,1112 21.35,1113 1.523,1114 1.639,1115 1.579,1116 1.505,1117 1.502,1118 1.977,1119 0.537,1120 4.378,1121 1.443,1122 4.09,1123 4.105,1124 4.175,1125 3.982,1126 7.477,1127 3.984,1128 3.919,1129 3.944,1130 3.909,1131 3.837,1132 7.471,1133 3.841,1134 3.753,1135 3.786,1136 3.704,1137 3.589,1138 7.428,1139 3.598,1140 3.466,1141 3.503,1142 3.533,1143 3.268,1144 6.352,1145 3.269,1146 3.424,1147 3.46,1148 3.383,1149 3.168,1150 6.35,1151 3.211,1152 3.215,1153 3.216,1154 3.219,1155 3.012,1156 5.355,1157 3.025,1158 3.085,1159 3.185,1160 3.006,1161 2.753,1162 4.983,1163 2.793,1164 2.995,1165 3.091,1166 2.9,1167 2.735,1168 4.924,1169 2.715,1170 0.142,1171 0.139,1172 0.208,1173 0.128,1174 0.099,1175 4.7,1176 0.142,1177 4.576,1178 0.089,1179 6.875,1180 0.346,1181 4.229,1182 0.096,1183 3.261,1184 4.676,1185 2.95,1186 11.407,1187 3.159,1188 1.907,1189 1.89,1190 1.988,1191 1.998,1192 1.222,1193 1.999,1194 1.818,1195 1.786,1196 1.893,1197 1.995,1198 1.101,1199 1.958,1200 1.701,1201 1.661,1202 1.88,1203 1.884,1204 1.016,1205 1.888,1206 1.463,1207 1.443,1208 1.625,1209 1.665,1210 0.601,1211 1.666,1212 1.306,1213 1.285,1214 1.47,1215 1.611,1216 0.581,1217 1.562,1218 1.075,1219 1.068,1220 1.266,1221 1.358,1222 0.295,1223 1.342,1224 0.947,1225 0.892,1226 1.181,1227 1.347,1228 0.218,1229 1.302,1230 0.925,1231 0.824,1232 1.155,1233 1.306,1234 0.063,1235 1.239,1236 4.205,1238 5.541,1239 2.398,1240 7.05,1241 4.844,1242 8.643,1243 7.034,1244 10.285,1246 1.815,1250 11.493,1251 17.87,1252 -0.587,1253 2.328,1255 1.283,1256 -1.296,1262 33.271,1263 93.652,1264 215.828,1265 247.438,1266 259.438,1267 261.438,1268 261.438,1269 88.795,1270 7.576,1271 194.66,1272 219.96,1273 17,1274 12.63,1275 4.322,1276 3.585,1277 58.602,1278 152,1279 132,1280 0.192,1281 210.651,1282 367.33,1283 505.748,1284 20536,1286 22.706,1287 0.732,1288 0.552,1289 23.06,1290 17.102,1291 14.651,1292 0.444,1293 0.298,1294 8.913,1295 13.474,1296 8.673,1297 7.159,1298 15.059,1299 9.825,1300 13.951,1301 0.297,1302 0.162,1303 14.62,1304 7.631,1305 10.701,1306 0.181,1307 0.092,1308 11.493,1309 5.452,1310 8.818,1311 0.116,1312 0.048,1313 9.609,1314 3.674,1315 6.72,1316 0.073,1317 0.027,1318 7.63,1319 2.507,1320 0.309,1321 97.492,1322 0.219,1323 29.563,1324 0.503,1325 160,1326 602.349,1327 210.559,1328 591.691,1329 778.14,1330 544,1331 186,1332 540.281,1333 228.276,1334 554.767,1335 810.32,1336 520,1337 4.688}
{0 CHEMBL596673,1 1.675,2 9.391,3 3.619,4 13.095,5 94.605,6 8.714,7 0.808,8 3.751,9 3.857,10 3.504,11 3.392,12 4.951,13 3.36,14 4.204,15 4.331,16 3.942,17 3.785,18 5.406,19 3.734,20 4.368,21 4.512,22 3.982,23 3.901,24 5.474,25 3.814,26 4.425,27 4.582,28 3.881,29 3.823,30 5.608,31 3.71,32 4.366,33 4.569,34 3.681,35 3.674,36 5.413,37 3.549,38 4.176,39 4.386,40 3.447,41 3.543,42 5.115,43 3.402,44 4.055,45 4.248,46 3.32,47 3.414,48 5.13,49 3.335,50 4.066,51 4.287,52 3.227,53 3.342,54 5.125,55 3.27,56 0.055,57 0.566,58 6.223,59 3.09,60 9.999,61 3.384,62 0.205,63 0.887,64 12.084,65 5.669,66 18.73,67 6.521,68 0.116,69 1.049,70 16.39,71 7.027,72 13.523,73 7.547,74 0.333,75 1.078,76 20.391,77 7.944,78 32.093,79 8.603,80 0.345,81 1.016,82 19.645,83 6.556,84 35.177,85 6.802,86 0.127,87 0.808,88 18.673,89 6.924,90 14.465,91 8.131,92 0.131,93 0.731,94 13.754,95 5.083,96 17.6,97 5.835,98 0.147,99 0.719,100 11.556,101 4.55,102 19.401,103 5.796,104 10,105 38,106 0.296,107 0.63,108 0.724,109 0.827,110 0.85,111 0.869,112 3.189,113 0.914,114 -5.35,115 -5.23,116 -4.89,119 45.9,120 1,139 7,140 4,141 1,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 11,169 2,170 5,172 3,173 3,175 1,178 16,180 1,182 3,187 1,189 14,191 1,192 1,193 5,195 3,196 3,197 1,198 2,200 2,201 8,204 2,205 1,207 3,212 2,215 9,218 2,221 4,226 2,229 7,231 2,234 6,239 2,241 6,243 2,246 5,251 4,254 5,256 4,260 4,265 4,268 2,270 4,273 653,274 15.533,275 15.533,276 15.533,277 15.533,278 15.533,279 12.986,280 10.973,281 8.973,282 15.887,283 12.85,284 12.85,285 12.85,286 12.85,287 12.85,288 9.048,289 12.36,290 4.291,291 13.471,292 3.535,293 1.644,294 1.112,295 0.527,296 0.399,297 0.291,298 3.887,300 1,301 1,302 1,303 480,304 2.345,306 42.503,307 164.565,310 83.397,311 91.417,314 1.365,315 17.131,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49,327 216,328 4.7,329 4.577,330 6.875,331 4.229,332 3.261,333 4.676,334 2.95,335 11.407,336 3.159,337 4.406,338 3.378,339 6.186,340 3.911,341 2.923,342 4.336,344 9.24,345 2.893,346 3.882,347 2.96,348 5.767,349 3.434,350 2.527,351 3.36,353 7.83,354 2.279,355 3.604,356 2.744,357 5.233,358 3.146,359 2.219,360 3.023,362 6.497,363 2.039,364 3.424,365 2.303,366 5.118,367 2.952,368 2.01,369 2.805,371 5.984,372 1.888,373 3.196,374 2.005,375 4.934,376 2.73,377 1.783,378 2.467,380 5.428,381 1.678,382 3.118,383 1.725,384 4.416,385 2.618,386 1.618,387 2.427,389 4.363,390 1.618,391 2.891,392 1.618,393 4.216,394 2.4,395 1.409,396 2.079,398 3.36,399 1.393,400 2.528,401 1.457,402 3.617,403 2.143,404 1.196,405 1.536,407 2.985,408 1.12,409 2.184,410 0.905,411 3.202,412 1.689,413 0.698,414 1.032,415 1.622,416 0.69,417 1.386,418 0.558,419 3.032,420 0.977,421 0.078,422 0.098,423 0.219,424 0.069,425 1.144,426 0.359,427 2.725,428 0.753,429 -0.181,430 -0.227,431 -0.467,432 -0.168,433 1.001,434 0.014,435 2.539,436 0.554,437 -0.386,438 -0.512,439 -1.001,440 -0.357,441 0.882,442 -0.305,443 2.357,444 0.382,445 -0.591,446 -0.715,448 -1.401,449 -0.54,450 0.719,451 -0.603,452 2.195,453 0.33,454 -0.618,455 -0.927,457 -1.598,458 -0.618,459 11.267,460 0.49,461 0.644,462 0.028,463 34.5,464 1.5,465 19.5,466 0.848,467 15,468 0.652,469 15.662,470 0.681,471 22.933,472 0.62,473 22.621,474 0.984,475 6.695,476 0.291,477 4.419,478 0.192,479 0.115,481 0.399,485 1.04,486 0.931,487 0.716,488 0.731,489 1.301,490 0.707,491 0.506,492 0.74,493 0.66,494 0.848,495 0.417,496 0.763,497 1.018,498 1.094,499 1.126,500 1.105,501 0.88,502 0.978,503 0.961,504 1.159,505 1.367,506 1.386,507 0.658,508 1.233,509 1.856,510 0.824,511 1.309,512 0.942,513 1.686,514 0.998,515 0.697,516 1.085,517 1.246,518 1.303,519 0.556,520 1.078,521 1.101,522 1.084,523 1.155,524 1.118,525 1.018,526 1.035,527 1.11,528 1.017,529 0.71,530 0.79,531 1.05,532 0.964,533 5,534 0.077,535 2.444,536 2.354,537 1.445,538 0.695,539 0.394,540 0.293,541 0.233,542 0.146,543 5857,544 16084,545 2.141,546 37.8,547 3,548 7,551 4,555 1.656,556 2,557 3.211,558 1.822,560 1,562 1,564 61.96,565 1.675,566 3.566,567 4.097,568 4.682,569 4.811,570 4.919,571 2.644,572 4.35,573 4.499,574 3.33,575 842.519,576 7.736,577 9376.44,578 1,579 1,580 1,581 1,582 192.75,583 1.422,584 4.454,585 0.192,586 0.008,587 0.064,588 0.062,589 0.045,590 0.029,591 0.018,592 0.013,593 0.012,594 0.01,595 0.453,596 0.17,597 1,598 0.58,599 106.733,600 -0.161,601 0.121,602 0.034,603 0.134,604 -0.351,605 0.108,606 0.417,607 0.266,608 0.227,609 0.108,610 0.328,611 0.127,612 -0.113,613 -0.065,614 -0.047,615 -0.04,616 -0.107,617 -0.055,618 0.267,619 -0.17,620 -0.178,621 -0.264,622 0.322,623 -0.276,624 -0.425,625 0.2,626 -0.155,627 0.116,628 -0.481,629 -0.043,630 0.067,631 -0.181,632 -0.025,633 -0.136,634 0.147,635 0.01,636 -0.146,637 -0.112,638 -0.203,639 -0.156,640 -0.062,641 -0.073,642 -0.135,643 -0.092,644 -0.012,645 -0.002,646 -0.056,647 -0.01,648 1.55,649 2.328,650 0.826,651 16.442,652 1.006,653 1.113,654 4.12,655 16.975,656 0.728,657 3.296,658 3.664,659 3.97,660 4.29,661 4.5,662 4.575,663 4.673,664 4.812,665 4.89,666 4.898,667 5.533,668 0.692,669 322.42,670 3.296,671 4.86,672 5.733,673 6.637,674 7.525,675 8.432,676 9.325,677 10.234,678 11.131,679 12.04,680 10.8,684 2,690 2,694 4,695 7,696 2,698 1,700 5,702 21,711 2,718 37,719 21,720 2,721 26,723 40,724 17,725 16,726 3,727 7,729 4,730 6,734 1,741 16,742 1,753 1,754 1,756 1,757 14,758 5,759 4,760 6,761 1,764 4,769 0.5,770 1,776 1,780 1,781 3,784 1,785 1,802 2,803 1,804 1,806 1,810 23,811 2,819 1,829 2.7,834 1,836 11.5,837 6.983,838 4.889,839 2.04,840 4.303,841 1.577,842 1.066,843 3.399,844 11.766,845 3.624,846 4.353,847 5.035,848 5.715,849 6.283,850 6.625,851 7.033,852 7.488,853 7.826,854 8.072,855 1,856 38,857 8.429,859 3.639,860 7.688,861 16.056,863 13.37,865 2.188,866 50.333,870 117.711,871 132.282,872 99.365,874 9.507,876 32.22,877 100.063,878 127.218,879 99.365,880 8.825,882 132.128,883 37.978,884 25.777,885 4.227,886 149.931,888 117.711,889 199.428,890 9.507,891 32.22,893 117.711,894 9.507,897 18.946,898 146.911,899 33.571,900 32.22,901 117.711,902 108.873,903 132.282,906 117.711,907 57.123,908 75.159,910 108.873,911 117.711,912 108.873,913 132.282,915 0.594,916 0.353,917 0.201,918 0.107,919 21,920 9,921 0.05,922 2,923 2,924 1.211,925 3.535,926 193.367,927 0.211,928 19,929 104.042,930 1,933 14.364,934 5.442,935 2.519,936 3.55,937 108.873,938 14.553,939 8.115,941 5.828,943 3.23,945 65.794,946 358.866,947 36.5,956 37.229,957 41.199,958 0.321,959 0.684,960 0.786,961 0.899,962 0.923,963 0.944,964 4.862,965 1.409,966 5.74,967 4.363,968 4.344,969 5.04,970 2.913,971 6.589,972 4.256,973 6.12,974 1.196,975 7.321,976 3.36,977 4.007,978 5.007,980 7.526,981 3.872,982 7.461,983 0.698,984 8.999,985 2.985,986 5.974,987 7.407,988 5.027,989 10.662,990 5.814,991 8.84,992 0.078,993 10.733,994 1.622,995 6.431,996 8.193,998 12.44,999 6.241,1000 10.25,1001 -0.181,1002 12.505,1003 0.219,1004 7.898,1005 10.077,1006 7.185,1007 15.101,1008 7.687,1009 11.682,1010 -0.386,1011 14.303,1012 -0.467,1013 8.735,1014 11.259,1016 17.249,1017 8.502,1018 13.134,1019 -0.591,1020 16.122,1021 -1.001,1022 10.005,1023 12.929,1024 9.348,1025 19.748,1026 9.751,1027 3.261,1028 -0.618,1029 17.958,1030 -1.401,1031 11.02,1032 14.299,1034 22.056,1035 10.745,1036 2.923,1037 11.407,1038 19.808,1039 -1.598,1040 12.215,1041 15.88,1042 11.511,1043 24.501,1044 11.917,1045 2.527,1046 9.24,1047 21.668,1048 4.676,1049 13.31,1050 17.335,1052 26.876,1053 12.989,1054 2.219,1055 7.83,1056 23.538,1057 4.336,1058 14.48,1059 18.881,1060 13.675,1061 29.306,1062 14.133,1063 2.01,1064 6.497,1065 25.417,1066 3.36,1067 15.613,1068 20.375,1070 31.711,1071 15.239,1072 1.783,1073 5.984,1074 27.302,1075 3.023,1076 16.776,1077 21.908,1078 15.838,1079 34.138,1080 16.375,1081 1.618,1082 5.428,1083 29.192,1084 2.805,1085 17.927,1086 23.419,1088 36.557,1089 17.497,1090 5489,1091 9250,1092 17.512,1093 26.932,1094 39.789,1095 42.366,1096 40.885,1097 39.473,1098 39.445,1099 55.678,1100 5.9,1101 117.87,1102 37.653,1103 5.473,1104 6.577,1105 6.563,1106 5.371,1107 5.261,1108 7.676,1109 5.9,1110 18.556,1111 5.159,1112 10.157,1113 1.53,1114 1.629,1115 1.573,1116 1.518,1117 1.517,1118 2.141,1119 0.227,1120 4.533,1121 1.448,1122 4.112,1123 4.126,1124 4.192,1125 4.064,1126 5.355,1127 4.051,1128 4.035,1129 4.056,1130 4.001,1131 3.924,1132 4.983,1133 3.943,1134 3.494,1135 3.535,1136 3.663,1137 3.447,1138 4.935,1139 3.409,1140 3.391,1141 3.453,1142 3.305,1143 3.199,1144 4.876,1145 3.216,1146 3.091,1147 3.195,1148 3.047,1149 2.974,1150 4.307,1151 2.952,1152 3.042,1153 3.105,1154 2.949,1155 2.8,1156 4.124,1157 2.802,1158 2.993,1159 3.081,1160 2.843,1161 2.701,1162 3.929,1163 2.705,1164 2.699,1165 2.74,1166 2.759,1167 2.624,1168 3.853,1169 2.607,1170 0.181,1171 0.176,1172 0.264,1173 0.163,1174 0.125,1175 4.7,1176 0.18,1177 4.577,1178 0.113,1179 6.875,1180 0.439,1181 4.229,1182 0.122,1183 3.261,1184 4.676,1185 2.95,1186 11.407,1187 3.159,1188 2.066,1189 2.05,1190 2.143,1191 2.112,1192 1.283,1193 2.127,1194 1.82,1195 1.788,1196 1.882,1197 1.997,1198 1.029,1199 1.959,1200 1.527,1201 1.513,1202 1.638,1203 1.676,1204 0.715,1205 1.684,1206 1.405,1207 1.364,1208 1.606,1209 1.548,1210 0.588,1211 1.577,1212 1.071,1213 1.025,1214 1.283,1215 1.352,1216 0.367,1217 1.342,1218 0.952,1219 0.907,1220 1.266,1221 1.316,1222 0.168,1223 1.271,1224 0.941,1225 0.825,1226 1.099,1227 1.192,1228 0.017,1229 1.221,1230 0.72,1231 0.662,1232 0.943,1233 0.956,1235 0.989,1236 3.97,1238 5.323,1239 2.398,1240 6.872,1241 4.844,1242 8.513,1243 7.034,1244 10.201,1246 1.95,1250 11.568,1255 1.539,1262 25.622,1263 61.96,1264 131.937,1265 151.589,1266 173.24,1267 177.995,1268 181.995,1269 26.903,1270 7.463,1271 90.96,1272 116.26,1273 23,1274 12.558,1275 4.459,1276 3.524,1277 31.929,1278 77,1279 69,1280 0.207,1281 160.224,1282 257.16,1283 382.708,1284 17383,1286 15.974,1287 0.695,1288 0.575,1289 16.328,1290 13.224,1291 11.114,1292 0.427,1293 0.305,1294 7.098,1295 10.356,1296 6.831,1297 5.675,1298 11.522,1299 7.92,1300 10.466,1301 0.275,1302 0.166,1303 11.134,1304 6.319,1305 8.921,1306 0.172,1307 0.092,1308 9.694,1309 4.788,1310 8.069,1311 0.112,1312 0.049,1313 8.897,1314 3.514,1315 6.249,1316 0.07,1317 0.028,1318 7.207,1319 2.509,1320 0.32,1321 72.978,1322 0.239,1323 22.367,1324 0.578,1325 128,1326 352.511,1327 165.434,1328 371.136,1329 524.79,1330 348,1331 154,1332 393.34,1333 186.027,1334 416,1335 615.37,1336 392,1337 4.921}
{0 CHEMBL596680,1 2.008,2 7.905,3 4.039,4 16.314,5 87.765,6 11.008,7 0.696,8 3.592,9 3.684,10 3.521,11 3.245,12 4.856,13 3.215,14 4.033,15 4.143,16 4.001,17 3.636,18 5.335,19 3.586,20 4.174,21 4.277,22 4.265,23 3.792,24 5.433,25 3.687,26 4.204,27 4.308,28 4.087,29 3.666,30 5.576,31 3.565,32 4.139,33 4.291,34 3.793,35 3.469,36 5.397,37 3.4,38 4.015,39 4.187,40 3.716,41 3.471,42 5.131,43 3.362,44 3.938,45 4.087,46 3.488,47 3.327,48 5.192,49 3.209,50 3.84,51 4.074,52 3.506,53 3.068,54 5.149,55 2.981,56 0.136,57 0.478,58 2.153,59 2.306,60 13.176,61 2.056,62 0.276,63 0.723,64 6.813,65 4.452,66 20.946,67 4.65,68 0.315,69 0.796,70 15.962,71 5.669,72 23.645,73 4.699,74 0.497,75 0.802,76 19.985,77 6.474,78 38.839,79 5.478,80 0.566,81 0.745,82 13.381,83 4.826,84 44.744,85 3.287,86 0.28,87 0.611,88 13.319,89 5.419,90 21.535,91 5.988,92 0.355,93 0.547,94 16.788,95 4.546,96 30.69,97 4.354,98 0.327,99 0.49,100 12.246,101 4.068,102 31.951,103 4.914,104 26,105 34,106 0.375,107 0.742,108 0.783,109 0.824,110 0.824,111 0.824,112 3.104,113 0.976,114 -5.01,115 -4.91,116 -4.6,119 41.9,120 1,139 3,140 2,141 3,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 4,169 2,170 5,172 3,173 3,175 1,178 5,180 1,182 3,187 1,189 8,191 1,192 1,193 3,195 3,196 3,197 1,198 2,200 2,201 4,204 2,205 1,207 5,212 2,215 4,218 2,221 1,226 2,229 9,231 2,234 4,241 2,246 5,251 4,256 4,260 1,265 5,270 5,273 511,274 13.723,275 13.723,276 13.723,277 13.723,278 13.723,279 11.587,280 12.352,281 7.782,282 14.287,283 11.307,284 11.307,285 11.307,286 11.307,287 11.307,288 8.175,289 12.867,290 3.67,291 12.408,292 2.946,293 0.976,294 0.758,295 0.54,296 0.54,297 0.54,298 3.776,299 2,300 1,301 1,302 1,303 353,304 2.345,306 39.454,307 116.137,310 77.478,314 1.166,315 23.507,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 45.667,327 166,328 4.702,329 4.621,330 6.878,331 4.232,332 3.267,333 4.676,334 2.95,335 11.417,336 3.16,337 4.329,338 3.52,339 6.407,340 3.844,341 2.96,342 3.991,344 9.725,345 2.545,346 3.827,347 3.055,348 5.694,349 3.369,350 2.45,351 3.312,353 7.481,354 2.241,355 3.44,356 2.623,357 5.142,358 2.976,359 2.046,360 2.816,362 6.055,363 1.901,364 3.238,365 2.469,366 4.962,367 2.766,368 1.879,369 2.514,371 5.544,372 1.698,373 3.232,374 2.23,375 4.841,376 2.707,377 1.836,378 2.481,380 5.104,381 1.441,382 2.88,383 1.986,384 4.29,385 2.42,386 1.462,387 2.041,389 3.687,390 1.388,391 2.527,392 1.704,393 3.95,394 2.134,395 1.186,396 1.535,398 3.101,399 1.109,400 1.636,401 1.278,402 3.136,403 1.195,404 0.426,405 0.496,407 1.064,408 0.289,409 1.146,410 0.492,411 2.726,412 0.768,413 -0.166,414 -0.2,415 -0.42,416 -0.152,417 1.024,418 0.173,419 2.563,420 0.586,421 -0.296,422 -0.383,423 -0.757,424 -0.229,425 1,426 0.028,427 2.365,428 0.473,429 -0.347,430 -0.445,431 -0.82,432 -0.241,433 0.667,434 -0.167,435 2.352,436 0.311,437 -0.576,438 -0.67,439 -1.383,440 -0.49,441 0.269,442 -0.309,443 2.083,444 -0.075,445 -0.958,446 -1.143,448 -2.559,449 -0.751,450 0.047,451 -0.615,452 1.65,453 -0.379,454 -1.245,455 -1.607,457 -3.259,458 -1.023,459 10.695,460 0.509,461 0.703,462 0.033,463 29.5,464 1.405,465 15.5,466 0.738,467 14,468 0.667,469 16.599,470 0.79,471 21.705,472 0.7,473 18.896,474 0.9,475 5.665,476 0.27,477 4.304,478 0.205,479 0.255,481 0.421,485 0.927,486 0.992,487 0.563,488 0.623,489 1.119,490 0.611,491 0.584,492 0.739,493 0.562,494 0.717,495 0.461,496 0.622,497 1.142,498 1.124,499 0.883,500 0.881,501 1.037,502 0.818,503 1.09,504 1.217,505 1.25,506 1.421,507 0.777,508 1.207,509 1.519,510 0.835,511 1.092,512 0.975,513 1.523,514 1.021,515 0.831,516 1.05,517 0.832,518 0.924,519 0.67,520 0.897,521 1.208,522 1.197,523 1.633,524 1.436,525 1.416,526 1.475,527 0.483,528 1.055,529 0.628,530 0.767,531 0.564,532 0.849,533 5,534 0.012,535 2.889,536 2.604,537 1.463,538 0.723,539 0.488,540 0.294,541 0.211,542 0.046,543 3926,544 15375,545 2.018,546 32.3,547 3,548 3,551 4,555 1.635,556 1.826,557 2.958,558 2.015,560 1,564 62.255,565 2.008,566 3.978,567 4.196,568 4.414,569 4.414,570 4.414,571 2.373,572 4.107,573 4.368,574 3.093,575 649.45,576 7.498,577 6718.57,579 1,580 1,581 1,582 153.58,583 1.545,584 4.289,585 0.217,586 0.012,587 0.085,588 0.074,589 0.049,590 0.031,591 0.021,592 0.016,593 0.013,594 0.007,595 0.527,596 0.17,597 1,598 0.702,599 93.024,600 -0.207,601 0.104,602 -0.017,603 0.141,604 -0.352,605 0.115,606 0.242,607 0.298,608 0.159,609 0.179,610 0.249,611 0.225,612 -0.205,613 -0.064,614 0.133,615 0.173,616 -0.195,617 0.05,618 0.087,619 -0.197,620 -0.168,621 -0.29,622 0.229,623 -0.303,624 -0.28,625 0.205,626 -0.202,627 -0.023,628 -0.432,629 -0.147,630 0.012,631 -0.189,632 0.12,633 0.074,634 0.129,635 0.182,636 -0.227,637 -0.282,638 -0.48,639 -0.512,640 -0.346,641 -0.521,642 0.381,643 -0.176,644 0.355,645 0.108,646 0.498,647 0.267,648 1.596,649 2.209,650 0.714,651 13.429,652 1.032,653 1.118,654 3.781,655 14.293,656 0.771,657 3.178,658 3.555,659 3.85,660 4.143,661 4.304,662 4.394,663 4.431,664 4.564,665 4.533,666 4.419,667 4.845,668 0.734,669 341.24,670 3.178,671 4.745,672 5.617,673 6.524,674 7.412,675 8.323,676 9.217,677 10.131,678 11.029,679 11.944,680 12.9,684 2,690 2,694 2,695 3,696 2,698 1,700 7,702 16,711 2,717 2,718 31,719 16,720 1,721 23,723 33,724 13,725 12,726 3,727 3,729 3,730 4,731 2,734 1,741 12,742 1,754 1,756 1,757 10,758 5,759 4,760 8,761 3,764 4,769 0.667,770 1,776 1,780 1,781 2,784 1,802 2,803 1,804 1,806 1,807 2,810 21,811 2,819 1,828 2,829 3.2,834 1,836 11.5,837 5.936,838 4.5,839 1.619,840 3.189,841 1.465,842 1.023,843 3.92,844 10.043,845 3.466,846 4.186,847 4.829,848 5.471,849 5.977,850 6.304,851 6.651,852 7.092,853 7.274,854 7.478,855 1,856 35,857 7.668,859 3.291,860 7.907,861 14.214,863 11.543,865 2.407,866 50.556,870 70.627,871 96.232,872 99.365,873 78.297,874 9.507,876 32.22,877 64.013,878 158.431,879 99.365,880 8.825,882 94.223,883 37.978,884 27.632,885 4.227,886 102.846,887 78.297,888 70.627,889 163.378,890 9.507,891 110.517,893 70.627,894 9.507,897 18.946,898 110.862,899 111.868,900 32.22,901 70.627,902 108.873,903 174.53,906 70.627,907 58.978,908 37.254,910 187.17,911 70.627,912 108.873,913 174.53,915 0.6,916 0.36,917 0.197,918 0.099,919 18,920 9,921 0.061,922 2,923 1,924 1.133,925 3.198,926 167.399,927 0.133,928 15,929 86.239,930 1,933 14.78,934 5.57,935 2.663,936 0.998,937 108.873,938 5.31,939 7.986,941 5.709,943 3.589,945 65.794,946 354.029,947 31,956 31.993,957 34.671,958 0.405,959 0.803,960 0.847,961 0.891,962 0.891,963 0.891,964 4.718,965 1.186,966 5.645,967 3.687,968 4.234,969 4.871,970 2.913,971 6.515,972 4.055,973 5.986,974 0.426,975 7.249,976 3.101,977 4.007,978 4.913,980 7.516,981 3.71,982 7.337,983 -0.166,984 8.95,985 1.064,986 5.889,987 7.219,988 5.027,989 10.649,990 5.578,991 8.724,992 -0.296,993 10.706,994 -0.42,995 6.431,996 8.047,998 12.467,999 6.028,1000 10.14,1001 -0.347,1002 12.497,1003 -0.757,1004 7.85,1005 9.878,1006 7.185,1007 15.136,1008 7.435,1009 11.579,1010 -0.576,1011 14.313,1012 -0.82,1013 8.742,1014 11.081,1016 17.302,1017 8.266,1018 13.036,1019 -0.958,1020 16.148,1021 -1.383,1022 9.991,1023 12.724,1024 9.348,1025 19.807,1026 9.497,1027 3.267,1028 -1.245,1029 17.997,1030 -2.559,1031 11.037,1032 14.104,1034 22.12,1035 10.503,1036 2.96,1037 11.417,1038 19.859,1039 -3.259,1040 12.226,1041 15.674,1042 11.511,1043 24.567,1044 11.671,1045 2.45,1046 9.725,1047 21.731,1048 4.676,1049 13.339,1050 17.135,1052 26.942,1053 12.755,1054 2.046,1055 7.481,1056 23.61,1057 3.991,1058 14.508,1059 18.678,1060 13.675,1061 29.371,1062 13.903,1063 1.879,1064 6.055,1065 25.496,1066 3.312,1067 15.65,1068 20.177,1070 31.773,1071 15.021,1072 1.836,1073 5.544,1074 27.387,1075 2.816,1076 16.816,1077 21.712,1078 15.838,1079 34.198,1080 16.165,1081 1.462,1082 5.104,1083 29.283,1084 2.514,1085 17.972,1086 23.23,1088 36.613,1089 17.299,1090 3897,1091 7841,1092 14.74,1093 23.886,1094 35.362,1095 38.83,1096 37.38,1097 35.164,1098 35.022,1099 47.728,1100 5.9,1101 106.359,1102 31.544,1103 5.485,1104 6.621,1105 6.424,1106 5.382,1107 5.267,1108 7.676,1109 5.9,1110 18.583,1111 5.16,1112 12.155,1113 1.537,1114 1.688,1115 1.625,1116 1.529,1117 1.523,1118 2.075,1119 0.257,1120 4.624,1121 1.371,1122 4.087,1123 4.102,1124 4.236,1125 3.982,1126 5.355,1127 3.983,1128 3.874,1129 3.886,1130 4.026,1131 3.832,1132 5.011,1133 3.824,1134 3.428,1135 3.495,1136 3.582,1137 3.238,1138 4.981,1139 3.242,1140 3.094,1141 3.197,1142 3.538,1143 2.926,1144 4.907,1145 2.865,1146 3,1147 3.098,1148 3.121,1149 2.849,1150 4.632,1151 2.815,1152 2.901,1153 2.918,1154 3.054,1155 2.707,1156 4.133,1157 2.741,1158 2.873,1159 2.901,1160 2.936,1161 2.687,1162 4.115,1163 2.696,1164 2.473,1165 2.583,1166 2.759,1167 2.311,1168 3.93,1169 2.245,1170 0.204,1171 0.201,1172 0.299,1173 0.184,1174 0.142,1175 4.702,1176 0.203,1177 4.621,1178 0.128,1179 6.878,1180 0.496,1181 4.232,1182 0.137,1183 3.267,1184 4.676,1185 2.95,1186 11.417,1187 3.16,1188 1.869,1189 1.861,1190 1.905,1191 1.997,1192 1.078,1193 1.96,1194 1.815,1195 1.783,1196 1.878,1197 1.906,1198 1.007,1199 1.929,1200 1.458,1201 1.434,1202 1.625,1203 1.66,1204 0.595,1205 1.663,1206 0.992,1207 0.954,1208 1.266,1209 1.352,1210 0.26,1211 1.342,1212 0.945,1213 0.827,1214 1.103,1215 1.32,1216 0.105,1217 1.274,1218 0.849,1219 0.826,1220 1,1221 0.994,1223 1.042,1224 0.816,1225 0.777,1226 0.971,1227 0.962,1229 1.004,1230 0.602,1231 0.512,1232 0.81,1233 0.84,1235 0.859,1236 3.85,1238 5.209,1239 2.398,1240 6.76,1241 4.844,1242 8.404,1243 7.034,1244 10.093,1246 1.87,1247 12.335,1250 11.445,1255 1.313,1262 22.75,1263 62.255,1264 123.315,1265 130.07,1266 136.825,1267 136.825,1268 136.825,1269 31.661,1270 6.853,1271 90.96,1272 116.26,1273 17,1274 12.459,1275 4.087,1276 3.17,1277 32.067,1278 61,1279 53,1280 0.267,1281 151.769,1282 246.92,1283 362.076,1284 7506,1285 6.5,1286 15.146,1287 0.721,1288 0.628,1289 16.499,1290 13.182,1291 9.969,1292 0.433,1293 0.325,1294 5.965,1295 8.685,1296 5.665,1297 4.678,1298 10.955,1299 7.483,1300 9.531,1301 0.28,1302 0.18,1303 10.889,1304 6.112,1305 7.993,1306 0.174,1307 0.108,1308 9.786,1309 4.978,1310 7.021,1311 0.113,1312 0.056,1313 8.672,1314 3.458,1315 4.982,1316 0.068,1317 0.03,1318 6.407,1319 2.216,1320 0.403,1321 72.459,1322 0.26,1323 20.323,1324 0.78,1325 114,1326 370.917,1327 182.473,1328 442.775,1329 589.97,1330 410,1331 137,1332 385.065,1333 202.307,1334 424.081,1335 629.78,1336 398,1337 4.842}
{0 CHEMBL596681,1 1.815,2 8.696,3 2.678,4 7.169,5 91.081,6 8.524,7 0.64,8 3.801,9 3.903,10 3.519,11 3.307,12 5.026,13 3.302,14 4.27,15 4.416,16 3.93,17 3.656,18 5.472,19 3.641,20 4.318,21 4.428,22 4.044,23 3.789,24 5.503,25 3.749,26 4.457,27 4.583,28 3.994,29 3.815,30 5.68,31 3.735,32 4.522,33 4.718,34 3.787,35 3.755,36 5.59,37 3.639,38 4.395,39 4.596,40 3.638,41 3.62,42 5.395,43 3.529,44 4.309,45 4.464,46 3.511,47 3.491,48 5.444,49 3.467,50 4.334,51 4.546,52 3.355,53 3.439,54 5.428,55 3.357,56 0.121,57 0.597,58 7.268,59 3.487,60 11.802,61 3.782,62 0.425,63 0.877,64 16.049,65 6.131,66 30.453,67 6.576,68 0.283,69 0.997,70 16.151,71 6.537,72 17.002,73 6.491,74 0.471,75 1.081,76 21.879,77 8.046,78 33.792,79 8.379,80 0.647,81 1.085,82 25.781,83 7.752,84 44.129,85 8.929,86 0.372,87 0.907,88 23.265,89 7.826,90 22.86,91 9.456,92 0.512,93 0.808,94 16.774,95 5.542,96 33.376,97 5.951,98 0.451,99 0.829,100 15.938,101 5.671,102 32.728,103 7.541,104 30,105 36,106 0.323,107 0.685,108 0.763,109 0.812,110 0.831,111 0.858,112 3.189,113 0.908,114 -3.48,115 -3.46,116 -3.3,119 38.5,120 1,124 2,139 3,140 2,141 3,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 3,169 2,170 8,172 3,173 3,175 1,178 4,180 1,182 7,187 1,189 4,191 1,192 1,193 5,195 3,196 3,197 1,198 2,200 2,201 2,204 2,205 1,206 2,207 3,212 2,215 3,218 2,220 1,221 5,226 2,229 3,231 2,233 1,234 4,239 1,241 2,243 1,245 2,246 2,248 1,249 1,251 2,256 2,259 1,260 1,262 2,263 2,265 2,270 2,273 673,274 15.411,275 15.411,276 15.411,277 15.411,278 15.411,279 13.408,280 18.452,281 8.781,282 16.106,283 12.188,284 12.188,285 12.188,286 12.188,287 12.188,288 9.048,289 20.988,290 3.996,291 13.165,292 3.471,293 1.437,294 1.001,295 0.725,296 0.622,297 0.468,298 3.864,300 1,301 1,302 1,303 422,304 2.739,306 44.872,307 131.939,310 88.175,314 1.214,315 23.061,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51,327 200,328 4.701,329 4.596,330 6.876,331 4.231,332 3.264,333 4.676,334 2.95,335 11.411,336 3.16,337 4.272,338 3.441,339 6.199,340 3.835,341 2.906,342 3.917,343 0.86,344 9.273,345 2.69,346 3.833,347 3.018,348 5.692,349 3.381,350 2.463,351 3.317,352 0.86,353 7.504,354 2.253,355 3.543,356 2.721,357 5.221,358 3.147,359 2.232,360 2.862,362 6.486,363 2.028,364 3.436,365 2.476,366 5.142,367 2.975,368 2.045,369 2.807,371 6.057,372 1.9,373 3.237,374 2.266,375 4.964,376 2.771,377 1.844,378 2.507,380 5.56,381 1.701,382 2.87,383 1.996,384 4.432,385 2.448,386 1.522,387 2.002,389 4.167,390 1.392,391 2.513,392 1.715,393 4.15,394 2.113,395 1.16,396 1.517,398 3.231,399 1.095,400 1.942,401 1.267,402 3.144,403 1.641,404 0.773,405 0.873,407 1.368,408 0.663,409 1.493,410 0.917,411 2.945,412 1.209,413 0.356,414 0.394,415 0.525,416 0.301,417 1.274,418 0.663,419 2.725,420 0.92,421 0.038,422 0.045,423 0.086,424 0.032,425 1.143,426 0.403,427 2.625,428 0.744,429 -0.183,430 -0.229,431 -0.467,432 -0.17,433 0.912,434 0.018,435 2.487,436 0.504,437 -0.407,438 -0.51,439 -0.902,440 -0.365,441 0.678,442 -0.166,443 2.272,444 0.317,445 -0.585,446 -0.684,448 -1.295,449 -0.521,450 0.578,451 -0.306,452 2.169,453 0.196,454 -0.742,455 -0.91,457 -1.868,458 -0.681,459 10.933,460 0.475,461 0.644,462 0.028,463 32,464 1.391,465 16.5,466 0.717,467 15.5,468 0.674,469 17.266,470 0.751,471 25.067,472 0.643,473 22.638,474 0.984,475 6.474,476 0.281,477 4.555,478 0.198,479 0.21,481 0.412,485 1.027,486 1.192,487 0.734,488 0.946,489 1.23,490 0.851,491 1.083,492 0.662,493 0.672,494 0.703,495 0.698,496 0.583,497 1.188,498 1.226,499 1.073,500 1.147,501 0.998,502 0.928,503 0.985,504 1.3,505 1.398,506 1.519,507 0.778,508 1.293,509 1.001,510 0.961,511 1.381,512 1.173,513 1.237,514 1.105,515 0.679,516 1.159,517 1.096,518 1.331,519 0.489,520 1.064,521 1.772,522 1.037,523 1.185,524 0.966,525 1.424,526 1.072,527 0.92,528 1.166,529 0.832,530 0.988,531 0.913,532 1.228,533 5.5,534 0.049,535 2.667,536 2.479,537 1.543,538 0.903,539 0.514,540 0.385,541 0.254,542 0.155,543 5044,544 16045,545 2.016,546 41,547 3,548 9,551 4,555 1.661,556 1.84,557 3.104,558 1.908,559 1,560 1,562 1,564 70.772,565 1.815,566 3.849,567 4.285,568 4.561,569 4.663,570 4.817,571 2.459,572 4.35,573 4.497,574 3.229,575 816.977,576 7.763,577 9129.84,578 1,579 1,580 1,581 1,582 206.131,583 1.538,584 4.428,585 0.22,586 0.008,587 0.074,588 0.065,589 0.045,590 0.033,591 0.019,592 0.015,593 0.013,594 0.011,595 0.505,596 0.17,597 1,598 0.982,599 106.012,600 -0.155,601 -0.039,602 0.044,603 0.024,604 -0.3,605 0.046,606 0.052,607 0.378,608 0.294,609 0.323,610 0.206,611 0.36,612 -0.198,613 -0.064,614 0.028,615 0.022,616 -0.157,617 0.006,618 0.049,619 -0.203,620 -0.194,621 -0.297,622 0.146,623 -0.322,624 -0.024,625 0.072,626 -0.199,627 -0.051,628 -0.235,629 -0.117,630 0.164,631 -0.236,632 0.015,633 -0.207,634 0.245,635 0.003,636 -0.386,637 -0.088,638 -0.351,639 -0.088,640 -0.342,641 -0.185,642 0.034,643 -0.264,644 -0.126,645 -0.212,646 0.015,647 -0.284,648 1.584,649 2.293,650 0.652,651 16.185,652 1.02,653 1.129,654 2.25,655 5.06,656 0.682,657 3.258,658 3.611,659 3.912,660 4.205,661 4.394,662 4.511,663 4.554,664 4.635,665 4.682,666 4.644,667 5.283,668 0.656,669 332.42,670 3.258,671 4.812,672 5.68,673 6.581,674 7.467,675 8.374,676 9.267,677 10.177,678 11.074,679 11.985,680 10.3,684 2,690 2,694 2,695 3,696 2,698 1,700 7,702 16,711 2,716 2,718 39,719 16,720 1,721 25,723 41,724 15,725 12,726 3,727 3,729 3,730 4,734 1,741 12,742 3,753 1,754 1,756 1,757 16,758 7,759 4,760 8,761 1,764 4,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,803 1,804 1,806 3,810 23,811 2,818 2,819 1,829 7.7,834 3,836 12.5,837 7.983,838 5.139,839 1.957,840 3.206,841 1.455,842 0.985,843 4.454,844 10.247,845 3.526,846 4.216,847 4.865,848 5.509,849 6.031,850 6.372,851 6.712,852 7.12,853 7.353,854 7.601,855 0.833,856 38,857 8.406,859 3.495,860 7.819,861 15.711,863 12.358,865 2.319,866 53.333,870 141.253,871 121.484,872 99.365,874 31.507,876 32.22,877 89.265,878 172.76,879 99.365,880 30.591,882 94.223,883 37.978,884 53.117,885 4.227,886 173.473,888 141.253,889 188.63,890 31.507,891 32.22,893 141.253,894 31.507,897 18.946,898 136.113,899 33.571,900 32.22,901 141.253,902 130.873,903 121.484,906 141.253,907 62.464,908 59.02,910 130.873,911 141.253,912 130.873,913 121.484,915 0.585,916 0.359,917 0.199,918 0.104,919 18,920 9,921 0.098,922 4,923 1,924 1.133,925 3.384,926 187.546,927 0.133,928 15,929 102.042,930 1,933 16.079,934 6.371,935 3.006,936 1.042,937 130.873,938 5.545,939 8.061,941 5.793,943 4.191,945 65.794,946 393.61,947 33,956 39.767,957 44.033,958 0.343,959 0.728,960 0.811,961 0.863,962 0.882,963 0.911,964 4.771,965 1.16,966 5.694,967 4.167,968 4.29,969 4.902,970 3.062,971 6.55,972 4.15,973 6.021,974 0.773,975 7.286,976 3.231,977 4.007,978 4.913,980 7.526,981 3.821,982 7.364,983 0.356,984 8.973,985 1.368,986 5.932,987 7.232,988 5.041,989 10.641,990 5.686,991 8.744,992 0.038,993 10.714,994 0.525,995 6.431,996 8.04,998 12.433,999 6.149,1000 10.154,1001 -0.183,1002 12.49,1003 0.086,1004 7.865,1005 9.874,1006 7.186,1007 15.09,1008 7.541,1009 11.586,1010 -0.407,1011 14.292,1012 -0.467,1013 8.726,1014 11.062,1016 17.244,1017 8.373,1018 13.036,1019 -0.585,1020 16.113,1021 -0.902,1022 9.978,1023 12.707,1024 9.348,1025 19.744,1026 9.592,1027 3.264,1028 -0.742,1029 17.95,1030 -1.295,1031 11.006,1032 14.079,1034 22.054,1035 10.594,1036 2.906,1037 11.411,1038 19.801,1039 -1.868,1040 12.193,1041 15.65,1042 11.511,1043 24.501,1044 11.753,1045 2.463,1046 9.273,1047 21.662,1048 4.676,1049 13.296,1050 17.109,1052 26.879,1053 12.83,1054 2.232,1055 7.504,1056 23.534,1057 3.917,1058 14.463,1059 18.653,1060 13.675,1061 29.31,1062 13.971,1063 2.045,1064 6.486,1065 25.413,1066 3.317,1067 15.601,1068 20.153,1070 31.716,1071 15.083,1072 1.844,1073 6.057,1074 27.298,1075 2.862,1076 16.764,1077 21.689,1078 15.838,1079 34.144,1080 16.221,1081 1.522,1082 5.56,1083 29.19,1084 2.807,1085 17.919,1086 23.208,1088 36.563,1089 17.349,1090 5030,1091 9112,1092 16.126,1093 26.602,1094 37.279,1095 40.632,1096 39.93,1097 37.104,1098 37.202,1099 49.835,1100 9.34,1101 111.339,1102 34.431,1103 5.493,1104 6.596,1105 6.445,1106 5.381,1107 5.264,1108 7.676,1109 5.9,1110 18.576,1111 5.16,1112 13.287,1113 1.491,1114 1.625,1115 1.597,1116 1.484,1117 1.488,1118 1.993,1119 0.374,1120 4.454,1121 1.377,1122 4.089,1123 4.103,1124 4.177,1125 3.975,1126 5.355,1127 3.981,1128 3.89,1129 3.902,1130 3.905,1131 3.808,1132 4.983,1133 3.811,1134 3.431,1135 3.496,1136 3.515,1137 3.24,1138 4.941,1139 3.244,1140 3.32,1141 3.367,1142 3.193,1143 3.031,1144 4.882,1145 3.051,1146 3.151,1147 3.238,1148 3.099,1149 2.911,1150 4.601,1151 2.872,1152 3.091,1153 3.195,1154 2.948,1155 2.856,1156 4.161,1157 2.833,1158 2.998,1159 3.097,1160 2.877,1161 2.705,1162 4.111,1163 2.73,1164 2.859,1165 2.908,1166 2.759,1167 2.682,1168 3.93,1169 2.693,1170 0.188,1171 0.184,1172 0.275,1173 0.169,1174 0.131,1175 4.701,1176 0.187,1177 4.596,1178 0.118,1179 6.876,1180 0.456,1181 4.231,1182 0.126,1183 3.264,1184 4.676,1185 2.95,1186 11.411,1187 3.16,1188 1.87,1189 1.862,1190 1.937,1191 1.997,1192 1.084,1193 1.966,1194 1.815,1195 1.784,1196 1.88,1197 1.961,1198 1.009,1199 1.954,1200 1.458,1201 1.436,1202 1.625,1203 1.662,1204 0.597,1205 1.665,1206 1.237,1207 1.178,1208 1.592,1209 1.566,1210 0.585,1211 1.571,1212 1.132,1213 1.04,1214 1.536,1215 1.435,1216 0.557,1217 1.473,1218 0.987,1219 0.945,1220 1.266,1221 1.352,1222 0.267,1223 1.342,1224 0.945,1225 0.826,1226 1.122,1227 1.319,1228 0.097,1229 1.273,1230 0.837,1231 0.784,1232 1.084,1233 1.023,1235 1.072,1236 3.932,1238 5.273,1239 2.398,1240 6.812,1241 4.844,1242 8.445,1243 7.034,1244 10.126,1246 5.125,1250 11.536,1254 10.641,1255 1.399,1262 25.578,1263 70.772,1264 150.092,1265 167.111,1266 177.866,1267 181.866,1268 187.866,1269 32.612,1270 7.041,1271 109.42,1272 134.72,1273 17,1274 12.503,1275 4.087,1276 3.17,1277 36.689,1278 73,1279 70,1280 0.254,1281 162.28,1282 268.68,1283 387.724,1284 9570,1286 16.56,1287 0.72,1288 0.597,1289 16.914,1290 13.731,1291 11.028,1292 0.441,1293 0.303,1294 6.662,1295 9.978,1296 6.341,1297 5.321,1298 11.437,1299 7.568,1300 9.998,1301 0.278,1302 0.161,1303 10.64,1304 5.795,1305 8.593,1306 0.175,1307 0.091,1308 9.415,1309 4.479,1310 7.466,1311 0.113,1312 0.049,1313 8.406,1314 3.23,1315 5.502,1316 0.069,1317 0.027,1318 6.491,1319 2.163,1320 0.387,1321 74.694,1322 0.249,1323 22.126,1324 0.73,1325 122,1326 413.982,1327 165.191,1328 411.238,1329 567.29,1330 386,1331 146,1332 411.43,1333 185.9,1334 431.024,1335 633.84,1336 401,1337 4.375}
{0 CHEMBL596741,1 1.572,2 7.905,3 3.673,4 13.488,5 90.483,6 7.88,7 0.696,8 3.742,9 3.881,10 3.407,11 3.334,12 4.887,13 3.281,14 4.213,15 4.396,16 3.842,17 3.729,18 5.314,19 3.649,20 4.35,21 4.507,22 3.979,23 3.898,24 5.415,25 3.777,26 4.499,27 4.686,28 3.818,29 3.892,30 5.561,31 3.725,32 4.498,33 4.742,34 3.591,35 3.733,36 5.48,37 3.592,38 4.457,39 4.739,40 3.426,41 3.665,42 5.271,43 3.512,44 4.297,45 4.527,46 3.216,47 3.555,48 5.239,49 3.397,50 4.302,51 4.625,52 3.069,53 3.292,54 5.208,55 3.151,56 0.051,57 0.622,58 8.147,59 3.251,60 9.991,61 4.209,62 0.186,63 0.963,64 15.381,65 6.058,66 19.191,67 7.889,68 0.087,69 1.136,70 18.713,71 7.204,72 11.231,73 8.572,74 0.253,75 1.255,76 29.893,77 9.723,78 25.236,79 11.049,80 0.265,81 1.143,82 22.526,83 6.581,84 33.621,85 9.192,86 0.189,87 1.002,88 23.216,89 7.751,90 20.222,91 10.815,92 0.081,93 0.896,94 16.995,95 6.514,96 16.63,97 8.945,98 0.175,99 0.809,100 18.935,101 5.76,102 26.879,103 8.622,104 26,105 34,106 0.281,107 0.642,108 0.704,109 0.749,110 0.788,111 0.788,112 3.104,113 0.971,114 -5.01,115 -4.91,116 -4.6,119 39.5,120 3,139 3,140 4,141 1,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 8,169 1,170 2,172 3,173 4,175 4,178 10,180 1,182 2,187 2,189 12,191 1,193 3,195 1,196 2,197 3,198 4,200 4,201 6,204 2,205 1,207 1,212 6,215 8,218 2,221 2,226 3,229 9,231 2,234 6,239 2,241 2,243 2,246 5,251 6,256 6,260 1,265 5,270 5,273 511,274 13.723,275 13.723,276 13.723,277 13.723,278 13.723,279 11.587,280 13.284,281 7.782,282 14.113,283 11.307,284 11.307,285 11.307,286 11.307,287 11.307,288 8.175,289 13.503,290 3.67,291 12.011,292 3.676,293 1.662,294 1.317,295 1.067,296 0.849,297 0.849,298 3.776,300 1,301 1,302 1,303 353,304 2.345,306 39.454,307 116.137,310 77.478,314 1.166,315 14.406,316 1,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 44.5,327 166,328 4.702,329 4.609,330 6.878,331 4.22,332 3.267,333 4.676,334 2.95,335 11.417,336 3.12,337 4.329,338 3.458,339 6.407,340 3.917,341 2.96,342 3.991,344 9.725,345 2.831,346 3.827,347 3.003,348 5.694,349 3.365,350 2.45,351 3.312,353 7.481,354 2.233,355 3.44,356 2.371,357 5.142,358 2.962,359 2.046,360 2.816,362 6.055,363 1.879,364 3.238,365 2.147,366 4.962,367 2.879,368 1.879,369 2.514,371 5.544,372 1.867,373 3.232,374 2.138,375 4.841,376 2.752,377 1.836,378 2.481,380 5.104,381 1.675,382 2.88,383 1.97,384 4.29,385 2.419,386 1.462,387 2.041,389 3.687,390 1.387,391 2.527,392 1.699,393 3.95,394 2.117,395 1.186,396 1.535,398 3.101,399 1.092,400 1.636,401 1.105,402 3.136,403 1.318,404 0.426,405 0.496,407 1.064,408 0.371,409 1.146,410 0.473,411 2.726,412 0.774,413 -0.166,414 -0.2,415 -0.42,416 -0.155,417 1.024,418 0.02,419 2.563,420 0.653,421 -0.296,422 -0.383,423 -0.757,424 -0.264,425 1,426 -0.11,427 2.365,428 0.607,429 -0.347,430 -0.445,431 -0.82,432 -0.347,433 0.667,434 -0.303,435 2.352,436 0.322,437 -0.576,438 -0.67,439 -1.383,440 -0.514,441 0.269,442 -0.469,443 2.083,444 -0.038,445 -0.958,446 -1.143,448 -2.559,449 -0.874,450 0.047,451 -0.627,452 1.65,453 -0.258,454 -1.245,455 -1.607,457 -3.259,458 -1.2,459 10.333,460 0.492,461 0.703,462 0.033,463 29,464 1.381,465 15.5,466 0.738,467 13.5,468 0.643,469 16.981,470 0.809,471 22.067,472 0.581,473 18.514,474 0.882,475 5.57,476 0.265,477 4.4,478 0.21,479 0.223,481 0.435,485 1.199,486 1.084,487 0.791,488 0.793,489 1.391,490 0.81,491 0.328,492 0.786,493 0.627,494 0.774,495 0.319,496 0.711,497 1.1,498 1.236,499 1.165,500 1.135,501 0.919,502 1.04,503 0.76,504 1.332,505 1.924,506 1.839,507 0.572,508 1.376,509 1.514,510 1.005,511 1.12,512 1.001,513 1.538,514 1.111,515 0.732,516 0.789,517 0.778,518 0.816,519 0.485,520 0.815,521 0.784,522 1.306,523 1.054,524 1.299,525 0.927,526 1.376,527 0.943,528 0.861,529 0.514,530 0.597,531 0.798,532 0.703,533 5,534 0.012,535 2.889,536 2.604,537 1.463,538 0.723,539 0.488,540 0.294,541 0.211,542 0.046,543 3926,544 10245,545 2.018,546 44.7,547 9,548 3,551 5,555 1.635,556 1.826,557 2.958,558 2.798,560 1,562 1,564 59.721,565 1.572,566 3.586,567 3.931,568 4.181,569 4.399,570 4.399,571 2.373,572 4.107,573 4.368,574 3.093,575 649.45,576 7.498,577 6718.57,578 1,579 1,580 1,581 1,582 199.421,583 1.545,584 4.289,585 0.217,586 0.012,587 0.085,588 0.074,589 0.049,590 0.031,591 0.021,592 0.016,593 0.013,594 0.007,595 0.527,596 0.33,597 1,598 0.702,599 93.024,600 -0.211,601 0.081,602 0.038,603 0.148,604 -0.355,605 0.105,606 0.54,607 0.285,608 0.323,609 0.245,610 0.413,611 0.268,612 -0.153,613 -0.086,614 0.021,615 0.037,616 -0.141,617 -0.062,618 0.204,619 -0.21,620 -0.4,621 -0.469,622 0.261,623 -0.346,624 -0.341,625 0.011,626 -0.191,627 -0.094,628 -0.404,629 -0.19,630 0.044,631 0.075,632 0.126,633 0.13,634 0.154,635 0.205,636 -0.061,637 -0.385,638 -0.262,639 -0.396,640 -0.116,641 -0.393,642 0.065,643 -0.054,644 0.255,645 0.187,646 0.229,647 0.269,648 1.482,649 1.964,650 0.714,651 13.429,652 0.997,653 1.129,654 3.781,655 14.293,656 0.691,657 3.178,658 3.555,659 3.85,660 4.143,661 4.304,662 4.394,663 4.431,664 4.564,665 4.533,666 4.419,667 4.845,668 0.644,669 299.44,670 3.178,671 4.745,672 5.617,673 6.524,674 7.412,675 8.323,676 9.217,677 10.131,678 11.029,679 11.944,680 13.2,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,718 38,719 16,720 1,721 23,723 40,724 15,725 12,726 3,727 3,729 3,730 4,734 3,741 12,742 3,753 1,754 1,757 17,758 4,759 5,760 6,761 1,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 3,810 21,811 2,819 1,836 11.5,837 7.733,838 4.5,839 2.089,840 3.189,841 1.465,842 1.027,843 3.552,844 10.043,845 3.466,846 4.186,847 4.829,848 5.471,849 5.977,850 6.304,851 6.651,852 7.092,853 7.274,854 7.478,855 1,856 35,857 7.695,859 3.228,860 7.659,861 14.74,863 12.026,865 2.159,866 45.333,870 141.253,871 107.869,872 116.151,876 32.22,877 75.649,878 141.253,879 116.151,880 26.476,882 94.223,883 35.286,884 31.588,885 4.227,886 173.473,888 141.253,889 191.8,891 32.22,893 141.253,897 47.997,898 110.231,899 33.571,900 32.22,901 141.253,902 116.151,903 107.869,906 141.253,907 52.964,908 54.904,909 16.786,910 99.365,911 141.253,912 116.151,913 107.869,915 0.6,916 0.36,917 0.197,918 0.099,919 18,920 9,921 0.05,922 2,923 1,924 1.133,925 3.198,926 167.399,927 0.133,928 15,929 82.239,930 1,933 14.233,934 5.242,935 2.473,936 1.532,937 99.365,938 6.288,939 8.255,940 3.3,943 6.411,945 82.58,946 365.273,947 31,956 37.887,957 42.903,958 0.299,959 0.683,960 0.749,961 0.797,962 0.838,963 0.838,964 4.718,965 1.186,966 5.645,967 3.687,968 4.234,969 4.871,970 2.913,971 6.515,972 4.117,973 5.986,974 0.426,975 7.249,976 3.101,977 4.007,978 4.913,980 7.516,981 3.852,982 7.337,983 -0.166,984 8.95,985 1.064,986 5.889,987 7.219,988 5.027,989 10.649,990 5.67,991 8.724,992 -0.296,993 10.706,994 -0.42,995 6.431,996 8.047,998 12.467,999 6.178,1000 10.14,1001 -0.347,1002 12.497,1003 -0.757,1004 7.85,1005 9.878,1006 7.185,1007 15.136,1008 7.543,1009 11.579,1010 -0.576,1011 14.313,1012 -0.82,1013 8.742,1014 11.081,1016 17.302,1017 8.399,1018 13.036,1019 -0.958,1020 16.148,1021 -1.383,1022 9.991,1023 12.724,1024 9.348,1025 19.807,1026 9.602,1027 3.267,1028 -1.245,1029 17.997,1030 -2.559,1031 11.037,1032 14.104,1034 22.12,1035 10.609,1036 2.96,1037 11.417,1038 19.859,1039 -3.259,1040 12.226,1041 15.674,1042 11.511,1043 24.567,1044 11.753,1045 2.45,1046 9.725,1047 21.731,1048 4.676,1049 13.339,1050 17.135,1052 26.942,1053 12.824,1054 2.046,1055 7.481,1056 23.61,1057 3.991,1058 14.508,1059 18.678,1060 13.675,1061 29.371,1062 13.95,1063 1.879,1064 6.055,1065 25.496,1066 3.312,1067 15.65,1068 20.177,1070 31.773,1071 15.048,1072 1.836,1073 5.544,1074 27.387,1075 2.816,1076 16.816,1077 21.712,1078 15.838,1079 34.198,1080 16.169,1081 1.462,1082 5.104,1083 29.283,1084 2.514,1085 17.972,1086 23.23,1088 36.613,1089 17.281,1090 3897,1091 6429,1092 14.74,1093 26.245,1094 35.362,1095 38.348,1096 37.38,1097 34.996,1098 35.022,1099 47.728,1100 5.9,1101 106.359,1102 32.908,1103 5.485,1104 6.609,1105 6.424,1106 5.375,1107 5.267,1108 7.676,1109 5.9,1110 18.583,1111 5.12,1112 12.155,1113 1.537,1114 1.667,1115 1.625,1116 1.522,1117 1.523,1118 2.075,1119 0.257,1120 4.624,1121 1.431,1122 4.113,1123 4.153,1124 4.192,1125 4.019,1126 5.319,1127 4.015,1128 3.915,1129 3.942,1130 3.915,1131 3.861,1132 4.981,1133 3.856,1134 3.441,1135 3.519,1136 3.504,1137 3.246,1138 4.773,1139 3.251,1140 3.266,1141 3.35,1142 3.122,1143 3.125,1144 4.686,1145 3.101,1146 3.132,1147 3.243,1148 3.067,1149 2.962,1150 4.108,1151 2.92,1152 3.055,1153 3.146,1154 2.976,1155 2.836,1156 3.966,1157 2.844,1158 3.014,1159 3.141,1160 2.776,1161 2.703,1162 3.86,1163 2.715,1164 2.67,1165 2.731,1166 2.743,1167 2.598,1168 3.793,1169 2.507,1170 0.204,1171 0.2,1172 0.299,1173 0.183,1174 0.142,1175 4.702,1176 0.203,1177 4.609,1178 0.128,1179 6.878,1180 0.496,1181 4.22,1182 0.136,1183 3.267,1184 4.676,1185 2.95,1186 11.417,1187 3.12,1188 1.932,1189 1.913,1190 2.033,1191 2.01,1192 1.198,1193 2.016,1194 1.827,1195 1.79,1196 1.887,1197 1.991,1198 1.023,1199 1.972,1200 1.534,1201 1.484,1202 1.68,1203 1.717,1204 0.719,1205 1.725,1206 1.303,1207 1.226,1208 1.639,1209 1.507,1210 0.717,1211 1.557,1212 1.104,1213 1.027,1214 1.449,1215 1.416,1216 0.492,1217 1.406,1218 1.066,1219 0.968,1220 1.309,1221 1.35,1222 0.342,1223 1.363,1224 0.945,1225 0.825,1226 1.263,1227 1.309,1229 1.342,1230 0.714,1231 0.634,1232 0.986,1233 0.983,1235 1.017,1236 3.85,1238 5.209,1239 2.398,1240 6.76,1241 4.844,1242 8.404,1243 7.034,1244 10.093,1246 6.24,1250 11.62,1255 1.688,1262 24.455,1263 59.721,1264 136.263,1265 149.382,1266 158.892,1267 167.157,1268 167.157,1269 26.299,1270 6.853,1271 93.61,1272 118.91,1273 17,1274 12.459,1275 4.087,1276 3.17,1277 32.067,1278 61,1279 53,1280 0.267,1281 157.086,1282 253.31,1283 375.05,1284 7506,1286 15.146,1287 0.721,1288 0.619,1289 15.499,1290 13.006,1291 9.969,1292 0.433,1293 0.324,1294 6.63,1295 9.282,1296 6.248,1297 5.265,1298 10.377,1299 7.441,1300 9.531,1301 0.28,1302 0.18,1303 10.147,1304 6.113,1305 7.993,1306 0.174,1307 0.108,1308 8.952,1309 4.975,1310 7.021,1311 0.113,1312 0.056,1313 7.887,1314 3.5,1315 4.982,1316 0.068,1317 0.032,1318 5.93,1319 2.305,1320 0.403,1321 65.7,1322 0.26,1323 20.323,1324 0.78,1325 114,1326 289.108,1327 148.672,1328 314.646,1329 444.57,1330 294,1331 137,1332 330.32,1333 170.047,1334 356.081,1335 523.72,1336 334,1337 6.411}
{0 CHEMBL596742,1 1.572,2 8,3 3.673,4 13.488,5 90.483,6 7.88,7 0.696,8 3.742,9 3.881,10 3.407,11 3.334,12 4.886,13 3.281,14 4.213,15 4.396,16 3.842,17 3.729,18 5.322,19 3.649,20 4.35,21 4.506,22 3.886,23 3.865,24 5.416,25 3.745,26 4.489,27 4.71,28 3.853,29 3.838,30 5.534,31 3.687,32 4.44,33 4.663,34 3.554,35 3.729,36 5.444,37 3.558,38 4.375,39 4.661,40 3.349,41 3.568,42 5.172,43 3.405,44 4.148,45 4.373,46 3.246,47 3.457,48 5.156,49 3.351,50 4.221,51 4.485,52 3.005,53 3.365,54 5.141,55 3.2,56 0.051,57 0.622,58 8.147,59 3.251,60 9.769,61 4.209,62 0.186,63 0.963,64 15.381,65 6.058,66 18.928,67 7.889,68 0.089,69 1.123,70 19.371,71 7.205,72 12.764,73 8.579,74 0.243,75 1.194,76 24.443,77 8.519,78 26.514,79 10.686,80 0.289,81 1.127,82 26.528,83 7.209,84 32.395,85 8.757,86 0.125,87 0.909,88 21.807,89 7.63,90 18.516,91 10.601,92 0.142,93 0.808,94 14.864,95 4.91,96 17.548,97 6.721,98 0.086,99 0.787,100 15.067,101 5.635,102 18.394,103 8.204,104 26,105 34,106 0.281,107 0.642,108 0.704,109 0.749,110 0.788,111 0.788,112 3.104,113 0.969,114 -5.01,115 -4.91,116 -4.6,119 39.5,120 3,139 3,140 4,141 1,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 8,169 1,170 2,172 3,173 4,175 4,178 12,180 1,182 2,187 2,189 8,191 1,193 3,195 1,196 2,197 3,198 4,200 4,201 8,204 2,205 1,207 1,212 4,215 6,218 2,221 2,226 5,229 7,231 2,234 4,239 2,241 6,243 2,246 5,251 4,256 4,260 3,265 5,270 5,273 521,274 13.618,275 13.618,276 13.618,277 13.618,278 13.618,279 11.538,280 15.824,281 7.776,282 14.031,283 11.362,284 11.362,285 11.362,286 11.362,287 11.362,288 8.231,289 18.184,290 3.738,291 12.087,292 3.676,293 1.662,294 1.317,295 1.067,296 0.849,297 0.849,298 3.776,300 1,301 1,302 1,303 357,304 2.345,306 40.633,307 117.439,310 79.559,314 1.238,315 14.613,316 1,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 44.5,327 168,328 4.7,329 4.578,330 6.875,331 4.216,332 3.261,333 4.676,334 2.95,335 11.407,336 3.119,337 4.17,338 3.382,339 5.822,340 3.744,341 2.781,342 3.816,344 8.21,345 2.69,346 3.839,347 2.954,348 5.573,349 3.384,350 2.468,351 3.322,353 7.372,354 2.243,355 3.457,356 2.603,357 5.146,358 3.004,359 2.091,360 2.823,362 6.099,363 1.893,364 3.338,365 2.294,366 4.985,367 2.879,368 1.949,369 2.634,371 5.72,372 1.879,373 3.232,374 2.147,375 4.803,376 2.87,377 1.879,378 2.481,380 5.192,381 1.782,382 3.128,383 2.002,384 4.618,385 2.676,386 1.733,387 2.364,389 4.963,390 1.625,391 2.52,392 1.72,393 4.207,394 2.107,395 1.187,396 1.526,398 3.318,399 1.081,400 1.327,401 0.674,402 3.073,403 0.923,404 0.044,405 0.054,407 0.128,408 0.037,409 1.143,410 0.365,411 2.725,412 0.735,413 -0.185,414 -0.233,415 -0.483,416 -0.17,417 1,418 0.012,419 2.547,420 0.653,421 -0.347,422 -0.445,423 -0.891,424 -0.347,425 0.942,426 -0.11,427 2.382,428 0.536,429 -0.413,430 -0.532,431 -1.093,432 -0.383,433 0.708,434 -0.169,435 2.355,436 0.381,437 -0.549,438 -0.646,439 -1.309,440 -0.515,441 0.391,442 -0.306,443 2.083,444 0.16,445 -0.765,446 -0.869,448 -1.867,449 -0.7,450 0.124,451 -0.611,452 1.656,453 -0.234,454 -1.167,455 -1.476,457 -3.284,458 -1.051,459 10.333,460 0.492,461 0.736,462 0.035,463 29,464 1.381,465 15.5,466 0.738,467 13.5,468 0.643,469 16.634,470 0.792,471 22.067,472 0.581,473 18.493,474 0.881,475 5.538,476 0.264,477 4.398,478 0.209,479 0.223,481 0.435,485 1.199,486 1.084,487 0.791,488 0.793,489 1.399,490 0.81,491 0.328,492 0.786,493 0.627,494 0.774,495 0.285,496 0.711,497 1.141,498 1.348,499 1.349,500 1.328,501 1.017,502 1.182,503 0.614,504 1.074,505 1.13,506 1.209,507 0.473,508 1.075,509 1.781,510 1.114,511 1.867,512 1.478,513 1.723,514 1.299,515 0.405,516 0.932,517 0.699,518 0.908,519 0.364,520 0.838,521 1.345,522 1.008,523 1.083,524 0.994,525 1.08,526 1.073,527 0.771,528 1.229,529 0.777,530 1.076,531 0.916,532 1.256,533 6,534 0.012,535 2,536 2.854,537 1.303,538 0.723,539 0.376,540 0.333,541 0.185,542 0.135,543 4046,544 10453,545 2.018,546 44.7,547 9,548 3,551 5,555 1.633,556 1.826,557 3.005,558 2.798,560 1,562 1,564 59.721,565 1.572,566 3.586,567 3.931,568 4.181,569 4.399,570 4.399,571 2.47,572 4.107,573 4.367,574 3.154,575 662.277,576 7.488,577 6903.5,578 1,579 1,580 1,581 1,582 199.421,583 1.545,584 4.289,585 0.261,586 0.004,587 0.059,588 0.086,589 0.043,590 0.034,591 0.018,592 0.017,593 0.013,594 0.012,595 0.548,596 0.33,597 1,598 0.702,599 93.611,600 -0.211,601 0.081,602 0.038,603 0.148,604 -0.364,605 0.105,606 0.54,607 0.285,608 0.323,609 0.245,610 0.449,611 0.268,612 -0.194,613 -0.2,614 -0.168,615 -0.162,616 -0.231,617 -0.208,618 0.339,619 -0.046,620 0.042,621 -0.087,622 0.384,623 -0.077,624 -0.517,625 0.005,626 -0.52,627 -0.298,628 -0.544,629 -0.347,630 0.238,631 -0.111,632 0.226,633 0.072,634 0.271,635 0.214,636 -0.316,637 0.005,638 -0.261,639 -0.119,640 -0.159,641 -0.144,642 0.005,643 -0.373,644 -0.096,645 -0.277,646 -0.022,647 -0.285,648 1.482,649 1.952,650 0.714,651 13.973,652 0.997,653 1.129,654 3.781,655 14.293,656 0.691,657 3.178,658 3.555,659 3.807,660 4.143,661 4.277,662 4.394,663 4.407,664 4.522,665 4.554,666 4.466,667 5.016,668 0.644,669 299.44,670 3.178,671 4.745,672 5.602,673 6.512,674 7.385,675 8.299,676 9.18,677 10.096,678 10.982,679 11.899,680 13.2,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,718 38,719 16,720 1,721 23,723 40,724 15,725 12,726 3,727 3,729 3,730 4,734 3,741 12,742 3,753 1,754 1,757 17,758 4,759 5,760 6,761 1,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 3,810 21,811 2,819 1,836 11.5,837 7.733,838 4.444,839 2.075,840 3.134,841 1.457,842 1.027,843 3.552,844 9.987,845 3.466,846 4.186,847 4.805,848 5.478,849 5.965,850 6.314,851 6.627,852 7.071,853 7.295,854 7.516,855 1,856 33,857 7.695,859 3.228,860 7.659,861 14.74,863 12.017,865 2.159,866 45.333,870 141.253,871 107.869,872 116.151,876 32.22,877 75.649,878 141.253,879 116.151,880 26.476,882 94.223,883 35.286,884 31.588,885 4.227,886 173.473,888 141.253,889 191.8,891 32.22,893 141.253,897 47.997,898 110.231,899 33.571,900 32.22,901 141.253,902 116.151,903 107.869,906 141.253,907 52.964,908 54.904,909 16.786,910 99.365,911 141.253,912 116.151,913 107.869,915 0.599,916 0.341,917 0.197,918 0.098,919 18,920 9,921 0.05,922 2,923 1,924 1.133,925 3.232,926 165.518,927 0.133,928 15,929 83.484,930 1,933 14.233,934 5.242,935 2.712,936 1.528,937 99.365,938 6.476,939 8.239,940 3.285,943 6.335,945 82.58,946 365.273,947 31,956 37.887,957 42.903,958 0.299,959 0.683,960 0.749,961 0.797,962 0.838,963 0.838,964 4.718,965 1.187,966 5.631,967 4.963,968 4.234,969 4.871,970 2.913,971 6.479,972 4.117,973 5.986,974 0.044,975 7.215,976 3.318,977 4.007,978 4.913,980 7.402,981 3.852,982 7.332,983 -0.185,984 8.89,985 0.128,986 5.866,987 7.205,988 5.027,989 10.531,990 5.651,991 8.709,992 -0.347,993 10.617,994 -0.483,995 6.365,996 8.003,998 12.287,999 6.118,1000 10.113,1001 -0.413,1002 12.38,1003 -0.891,1004 7.782,1005 9.839,1006 7.185,1007 14.966,1008 7.484,1009 11.539,1010 -0.549,1011 14.169,1012 -1.093,1013 8.636,1014 11.02,1016 17.116,1017 8.307,1018 12.984,1019 -0.765,1020 15.981,1021 -1.309,1022 9.884,1023 12.67,1024 9.348,1025 19.633,1026 9.511,1027 3.261,1028 -1.167,1029 17.812,1030 -1.867,1031 10.908,1032 14.041,1034 21.953,1035 10.5,1036 2.781,1037 11.407,1038 19.659,1039 -3.284,1040 12.096,1041 15.616,1042 11.511,1043 24.413,1044 11.645,1045 2.468,1046 8.21,1047 21.52,1048 4.676,1049 13.199,1050 17.076,1052 26.801,1053 12.708,1054 2.091,1055 7.372,1056 23.392,1057 3.816,1058 14.369,1059 18.624,1060 13.675,1061 29.243,1062 13.836,1063 1.949,1064 6.099,1065 25.275,1066 3.322,1067 15.508,1068 20.125,1070 31.658,1071 14.933,1072 1.879,1073 5.72,1074 27.165,1075 2.823,1076 16.675,1077 21.664,1078 15.838,1079 34.094,1080 16.057,1081 1.733,1082 5.192,1083 29.062,1084 2.634,1085 17.832,1086 23.186,1088 36.52,1089 17.17,1090 4007,1091 6583,1092 14.74,1093 26.245,1094 35.201,1095 37.869,1096 36.986,1097 34.737,1098 34.787,1099 47.393,1100 5.9,1101 104.815,1102 32.699,1103 5.474,1104 6.578,1105 5.875,1106 5.367,1107 5.261,1108 7.676,1109 5.9,1110 18.556,1111 5.119,1112 12.354,1113 1.53,1114 1.646,1115 1.608,1116 1.51,1117 1.512,1118 2.061,1119 0.257,1120 4.557,1121 1.422,1122 4.112,1123 4.152,1124 4.188,1125 4.015,1126 5.319,1127 4.013,1128 3.916,1129 3.944,1130 3.909,1131 3.862,1132 4.981,1133 3.857,1134 3.445,1135 3.522,1136 3.534,1137 3.264,1138 4.774,1139 3.26,1140 3.266,1141 3.35,1142 3.161,1143 3.125,1144 4.684,1145 3.101,1146 3.14,1147 3.246,1148 3.067,1149 3.007,1150 4.11,1151 2.954,1152 3.045,1153 3.147,1154 2.983,1155 2.802,1156 3.966,1157 2.825,1158 3.01,1159 3.113,1160 2.776,1161 2.703,1162 3.86,1163 2.714,1164 2.604,1165 2.702,1166 2.526,1167 2.437,1168 3.766,1169 2.372,1170 0.204,1171 0.199,1172 0.299,1173 0.183,1174 0.142,1175 4.7,1176 0.203,1177 4.578,1178 0.128,1179 6.875,1180 0.496,1181 4.216,1182 0.136,1183 3.261,1184 4.676,1185 2.95,1186 11.407,1187 3.119,1188 1.932,1189 1.912,1190 2.038,1191 2.01,1192 1.19,1193 2.018,1194 1.827,1195 1.79,1196 1.887,1197 1.994,1198 1.025,1199 1.972,1200 1.541,1201 1.492,1202 1.681,1203 1.719,1204 0.727,1205 1.728,1206 1.303,1207 1.226,1208 1.639,1209 1.507,1210 0.719,1211 1.557,1212 1.118,1213 1.046,1214 1.387,1215 1.418,1216 0.5,1217 1.413,1218 1.024,1219 0.932,1220 1.3,1221 1.35,1222 0.302,1223 1.342,1224 0.945,1225 0.825,1226 1.262,1227 1.255,1228 0.039,1229 1.307,1230 0.676,1231 0.574,1232 0.988,1233 0.973,1235 1.003,1236 3.85,1238 5.209,1239 2.398,1240 6.746,1241 4.844,1242 8.374,1243 7.034,1244 10.051,1246 6.207,1250 11.6,1255 1.663,1262 24.455,1263 59.721,1264 136.263,1265 149.382,1266 158.892,1267 167.157,1268 167.157,1269 25.984,1270 6.853,1271 93.61,1272 118.91,1273 17,1274 12.415,1275 4.087,1276 3.17,1277 32.142,1278 63,1279 53,1280 0.258,1281 157.086,1282 253.31,1283 375.05,1284 7506,1286 15.146,1287 0.721,1288 0.619,1289 15.499,1290 13.006,1291 9.936,1292 0.432,1293 0.323,1294 6.618,1295 9.218,1296 6.229,1297 5.258,1298 10.344,1299 7.429,1300 9.765,1301 0.287,1302 0.185,1303 10.434,1304 6.279,1305 7.549,1306 0.172,1307 0.1,1308 8.303,1309 4.401,1310 7.19,1311 0.116,1312 0.058,1313 8.126,1314 3.611,1315 4.832,1316 0.068,1317 0.031,1318 5.727,1319 2.195,1320 0.393,1321 65.498,1322 0.26,1323 20.456,1324 0.74,1325 114,1326 289.108,1327 148.672,1328 315.195,1329 443.53,1330 294,1331 135,1332 328.32,1333 164.707,1334 354.926,1335 519.04,1336 332,1337 5.119}
{0 CHEMBL596970,1 1.633,2 10.16,3 3.625,4 13.14,5 103.832,6 8.499,7 0.786,8 3.838,9 3.946,10 3.567,11 3.48,12 5.031,13 3.444,14 4.287,15 4.413,16 3.929,17 3.87,18 5.466,19 3.8,20 4.465,21 4.629,22 3.999,23 3.972,24 5.515,25 3.873,26 4.517,27 4.683,28 4.019,29 3.967,30 5.646,31 3.838,32 4.524,33 4.721,34 3.821,35 3.903,36 5.538,37 3.76,38 4.457,39 4.683,40 3.606,41 3.83,42 5.333,43 3.668,44 4.345,45 4.562,46 3.563,47 3.668,48 5.329,49 3.57,50 4.282,51 4.497,52 3.489,53 3.558,54 5.337,55 3.485,56 0.045,57 0.61,58 7.188,59 3.464,60 10.596,61 3.947,62 0.198,63 0.961,64 14.4,65 6.488,66 20.158,67 7.421,68 0.101,69 1.133,70 18.048,71 7.747,72 15.101,73 8.989,74 0.329,75 1.183,76 22.76,77 9.041,78 33.115,79 10.111,80 0.295,81 1.208,82 24.067,83 8.262,84 33.79,85 9.275,86 0.112,87 1.042,88 23.193,89 9.286,90 19.83,91 11.521,92 0.125,93 0.93,94 17.581,95 6.98,96 20.446,97 8.995,98 0.14,99 0.887,100 16.904,101 6.333,102 21.203,103 7.756,104 5,105 39,106 0.282,107 0.599,108 0.695,109 0.804,110 0.856,111 0.868,112 3.267,113 0.94,114 -5.48,115 -5.36,116 -5,119 46.3,125 1,139 9,140 4,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 12,169 2,170 4,172 3,173 3,175 1,178 16,180 1,182 2,187 1,189 15,191 1,192 1,193 1,195 3,196 3,197 1,198 1,200 2,201 13,204 1,205 1,207 2,212 2,215 14,218 2,221 2,229 11,234 7,239 3,241 6,243 3,246 9,251 3,254 3,256 3,260 8,265 5,268 1,270 5,273 837,274 17.206,275 17.206,276 17.206,277 17.206,278 17.206,279 14.54,280 11.604,281 10.264,282 17.558,283 13.853,284 13.853,285 13.853,286 13.853,287 13.853,288 9.93,289 13.928,290 4.876,291 14.439,292 3.725,293 1.896,294 1.339,295 0.71,296 0.409,297 0.341,298 3.968,300 1,301 1,302 1,303 560,304 2.449,306 50.447,307 210.613,310 95.131,314 1.299,315 16.773,317 1,318 0.75,319 1,320 1,321 0.6,323 1,324 1,325 0.76,326 53,327 254,328 4.638,329 4.46,330 6.781,331 4.164,332 3.19,333 4.608,334 3.272,335 11.108,336 3.111,337 4.369,338 3.311,339 6.499,340 3.986,341 3.01,342 4.027,344 10.177,345 2.94,346 3.721,347 2.967,348 5.328,349 3.283,350 2.355,351 3.198,353 6.741,354 2.182,355 3.659,356 2.567,357 5.221,358 3.187,359 2.228,360 3.145,362 6.341,363 2.13,364 3.407,365 2.291,366 5.063,367 2.923,368 1.98,369 2.789,371 5.79,372 1.866,373 3.088,374 2.065,375 4.761,376 2.707,377 1.768,378 2.266,380 4.985,381 1.648,382 2.979,383 1.833,384 4.129,385 2.526,386 1.54,387 2.189,389 3.702,390 1.52,391 2.893,392 1.588,393 3.643,394 2.424,395 1.458,396 2.053,398 3.088,399 1.389,400 2.5,401 1.498,402 3.589,403 2,404 1,405 1.5,407 2.396,408 1,409 2.5,410 1,411 3.436,412 2,413 1,414 1.5,415 2.136,416 1,417 2.304,418 1,419 3.247,420 1.829,421 0.857,422 1.22,423 2.113,424 0.829,425 1.826,426 0.856,427 3.194,428 1.456,429 0.59,430 0.709,431 1.439,432 0.498,433 1.148,434 0.565,435 2.687,436 0.764,437 -0.17,438 -0.212,439 -0.438,440 -0.156,441 1.017,442 -0.025,443 2.528,444 0.579,445 -0.357,446 -0.47,448 -0.913,449 -0.329,450 0.82,451 -0.296,452 2.31,453 0.409,454 -0.517,455 -0.632,457 -1.241,458 -0.474,459 12.267,460 0.491,461 0.538,462 0.022,463 37.5,464 1.5,465 21.5,466 0.86,467 16,468 0.64,469 16.811,470 0.672,471 24.933,472 0.608,473 25.292,474 1.012,475 7.3,476 0.292,477 4.921,478 0.197,479 0.065,481 0.326,485 1.031,486 0.938,487 0.728,488 0.753,489 1.238,490 0.733,491 0.643,492 0.823,493 0.986,494 1.004,495 0.518,496 0.909,497 0.89,498 1.058,499 1.003,500 1.02,501 0.852,502 0.973,503 0.719,504 1.037,505 1.27,506 1.27,507 0.601,508 1.129,509 1.335,510 0.957,511 1.425,512 1.183,513 1.398,514 1.134,515 0.481,516 0.947,517 1.126,518 1.178,519 0.549,520 1.075,521 0.816,522 1.007,523 0.774,524 0.968,525 0.751,526 0.966,527 1.187,528 1.108,529 0.888,530 0.977,531 0.892,532 0.94,533 4,534 0.095,535 2.667,536 2.035,537 1.063,538 0.483,539 0.419,540 0.293,541 0.235,542 0.173,543 7407,544 20409,545 2.154,546 39,548 11,549 1,551 4,555 1.681,556 2.055,557 3.306,558 1.736,560 1,564 66.949,565 1.633,566 3.461,567 4.019,568 4.647,569 4.949,570 5.016,571 2.653,572 4.244,573 4.62,574 3.434,575 1030.34,576 7.989,577 12430.2,578 1,579 1,581 1,582 219.66,583 1.26,584 4.592,585 0.143,586 0.006,587 0.068,588 0.052,589 0.03,590 0.017,591 0.016,592 0.011,593 0.009,594 0.008,595 0.359,597 0.88,598 0.477,599 120.193,600 -0.142,601 0.114,602 0.038,603 0.122,604 -0.278,605 0.097,606 0.289,607 0.198,608 -0.018,609 0.003,610 0.233,611 -0.01,612 -0.069,613 -0.047,614 0.019,615 0.006,616 -0.089,617 -0.028,618 0.336,619 -0.032,620 -0.033,621 -0.116,622 0.32,623 -0.149,624 -0.275,625 0.069,626 -0.227,627 -0.074,628 -0.364,629 -0.154,630 0.085,631 -0.066,632 -0.011,633 -0.064,634 0.072,635 0.02,636 0.054,637 -0.118,638 0.094,639 -0.037,640 0.076,641 0.05,642 -0.06,643 -0.172,644 -0.001,645 -0.064,646 0.067,647 0.036,648 1.548,649 1.992,650 0.84,651 18.819,652 1.003,653 1.113,654 4.248,655 18.046,656 0.724,657 3.367,658 3.689,659 3.989,660 4.29,661 4.454,662 4.477,663 4.564,664 4.663,665 4.7,666 4.736,667 5.957,668 0.687,669 348.46,670 3.367,671 4.905,672 5.765,673 6.65,674 7.525,675 8.416,676 9.295,677 10.188,678 11.071,679 11.965,680 9.8,684 2,690 2,694 2,695 10,696 2,698 1,700 6,702 22,711 2,718 41,719 22,720 2,721 28,723 44,724 19,725 18,726 3,727 9,729 4,730 5,741 18,742 1,753 1,754 1,756 1,757 16,758 5,759 4,760 6,761 1,764 4,769 0.75,770 1,776 1,780 1,781 3,784 1,802 3,803 1,804 1,810 25,811 2,816 1,819 1,829 2.4,834 1,836 12.167,837 7.233,838 5.472,839 2.221,840 4.374,841 1.586,842 1.049,843 4.343,844 11.84,845 3.689,846 4.347,847 4.996,848 5.635,849 6.134,850 6.373,851 6.738,852 7.101,853 7.266,854 7.511,855 0.857,856 39,857 9.16,859 3.895,860 7.667,861 17.512,863 14.402,865 2.167,866 54.167,869 1,870 141.253,871 152.46,872 99.365,874 9.507,876 32.22,877 120.24,878 150.761,879 99.365,881 0.9,882 162.82,883 37.978,884 23.188,885 15.998,886 161.702,888 141.253,889 219.606,890 9.507,891 32.22,893 141.253,894 9.507,897 7.206,898 178.828,899 33.571,900 32.22,901 141.253,902 108.873,903 152.46,906 141.253,907 55.434,908 97.026,910 108.873,911 141.253,912 108.873,913 152.46,915 0.578,916 0.344,917 0.201,918 0.104,919 20,920 8,921 0.091,922 4,923 1,924 1.095,925 3.757,926 211.408,927 0.095,928 21,929 110.096,930 1,933 16.001,934 6.786,935 3.208,936 1.163,937 108.873,938 20.345,939 8.118,941 5.49,943 5.016,945 65.794,946 402.586,947 39,956 41.113,957 45.614,958 0.305,959 0.646,960 0.75,961 0.867,962 0.924,963 0.936,964 4.902,965 1.458,966 5.74,967 3.702,968 4.369,969 5.034,970 3.11,971 6.561,972 4.292,973 6.123,974 1,975 7.298,976 3.088,977 3.892,978 4.808,980 7.489,981 3.78,982 7.436,983 1,984 8.961,985 2.396,986 5.958,987 7.312,988 5.44,989 10.63,990 5.82,991 8.79,992 0.857,993 10.69,994 2.136,995 6.347,996 7.975,998 12.447,999 6.187,1000 10.18,1001 0.59,1002 12.463,1003 2.113,1004 7.858,1005 9.907,1006 7.807,1007 15.089,1008 7.675,1009 11.596,1010 -0.17,1011 14.266,1012 1.439,1013 8.658,1014 11.006,1016 17.255,1017 8.457,1018 13.033,1019 -0.357,1020 16.092,1021 -0.438,1022 9.943,1023 12.694,1024 10.177,1025 19.731,1026 9.721,1027 3.19,1028 -0.517,1029 17.934,1030 -0.913,1031 10.934,1032 14.01,1034 22.032,1035 10.693,1036 3.01,1037 11.108,1038 19.79,1039 -1.241,1040 12.128,1041 15.593,1042 12.548,1043 24.45,1044 11.866,1045 2.355,1046 10.177,1047 21.655,1048 4.608,1049 13.204,1050 17.013,1052 26.803,1053 12.922,1054 2.228,1055 6.741,1056 23.528,1057 4.027,1058 14.365,1059 18.553,1060 14.919,1061 29.201,1062 14.06,1063 1.98,1064 6.341,1065 25.407,1066 3.198,1067 15.478,1068 20.024,1070 31.576,1071 15.151,1072 1.768,1073 5.79,1074 27.29,1075 3.145,1076 16.627,1077 21.548,1078 17.29,1079 33.969,1080 16.277,1081 1.54,1082 4.985,1083 29.178,1084 2.789,1085 17.757,1086 23.043,1088 36.353,1089 17.384,1090 6955,1091 11702,1092 19.186,1093 29.693,1094 42.339,1095 45.146,1096 42.925,1097 41.999,1098 41.95,1099 58.407,1100 6.545,1101 120.033,1102 40.223,1103 5.487,1104 6.46,1105 6.582,1106 5.286,1107 5.19,1108 7.608,1109 6.545,1110 17.999,1111 5.111,1112 9.03,1113 1.512,1114 1.612,1115 1.533,1116 1.5,1117 1.498,1118 2.086,1119 0.234,1120 4.287,1121 1.437,1122 4.088,1123 4.106,1124 4.13,1125 3.998,1126 5.362,1127 3.99,1128 3.982,1129 4.003,1130 3.981,1131 3.902,1132 4.984,1133 3.917,1134 3.736,1135 3.768,1136 3.74,1137 3.689,1138 4.946,1139 3.67,1140 3.428,1141 3.493,1142 3.473,1143 3.262,1144 4.828,1145 3.246,1146 3.099,1147 3.197,1148 3.249,1149 2.967,1150 4.606,1151 2.923,1152 3.05,1153 3.108,1154 2.96,1155 2.867,1156 4.141,1157 2.85,1158 2.949,1159 2.998,1160 2.841,1161 2.735,1162 3.873,1163 2.775,1164 2.854,1165 2.925,1166 2.687,1167 2.728,1168 3.734,1169 2.715,1170 0.166,1171 0.159,1172 0.242,1173 0.149,1174 0.114,1175 4.638,1176 0.165,1177 4.46,1178 0.117,1179 6.781,1180 0.397,1181 4.164,1182 0.111,1183 3.19,1184 4.608,1185 3.272,1186 11.108,1187 3.111,1188 1.986,1189 1.969,1190 2.074,1191 2.038,1192 1.21,1193 2.057,1194 1.821,1195 1.791,1196 1.887,1197 1.992,1198 1.067,1199 1.953,1200 1.747,1201 1.717,1202 1.852,1203 1.831,1204 0.934,1205 1.855,1206 1.458,1207 1.433,1208 1.58,1209 1.663,1210 0.63,1211 1.652,1212 0.998,1213 0.969,1214 1.253,1215 1.356,1216 0.291,1217 1.336,1218 0.964,1219 0.92,1220 1.189,1221 1.303,1222 0.227,1223 1.284,1224 0.955,1225 0.868,1226 1.181,1227 1.098,1228 0.218,1229 1.132,1230 0.886,1231 0.821,1232 1.173,1233 1.062,1234 0.128,1235 1.107,1236 4.043,1238 5.361,1239 2.398,1240 6.882,1241 4.727,1242 8.499,1243 6.843,1244 10.165,1250 11.608,1252 0.703,1255 1.725,1262 28.148,1263 66.949,1264 141.911,1265 164.766,1266 190.54,1267 202.905,1268 205.66,1269 30.265,1270 7.466,1271 90.96,1272 116.26,1273 23,1274 12.493,1275 4.524,1276 3.585,1277 35.918,1278 91,1279 81,1280 0.195,1281 176.482,1282 289.12,1283 422.375,1284 18837,1286 17.225,1287 0.689,1288 0.567,1289 17.579,1290 14.163,1291 12.22,1292 0.436,1293 0.313,1294 7.792,1295 11.431,1296 7.531,1297 6.25,1298 12.674,1299 8.77,1300 10.913,1301 0.28,1302 0.169,1303 11.463,1304 6.576,1305 9.265,1306 0.175,1307 0.095,1308 9.972,1309 5.032,1310 8.35,1311 0.116,1312 0.053,1313 9.139,1314 3.797,1315 6.385,1316 0.075,1317 0.031,1318 7.237,1319 2.646,1320 0.305,1321 80.165,1322 0.228,1323 24.151,1324 0.54,1325 134,1326 366.511,1327 166.319,1328 385.014,1329 538.94,1330 362,1331 159,1332 396.745,1333 188.692,1334 417.538,1335 613.26,1336 393,1337 4.31}
{0 CHEMBL597347,1 1.709,2 10.846,3 3.667,4 13.445,5 104.936,6 8.678,7 0.759,8 3.873,9 3.973,10 3.613,11 3.478,12 5.087,13 3.458,14 4.319,15 4.435,16 3.974,17 3.845,18 5.534,19 3.797,20 4.494,21 4.647,22 4.041,23 3.9,24 5.599,25 3.837,26 4.498,27 4.655,28 3.985,29 3.863,30 5.661,31 3.769,32 4.468,33 4.649,34 3.835,35 3.831,36 5.53,37 3.727,38 4.438,39 4.634,40 3.759,41 3.869,42 5.386,43 3.731,44 4.417,45 4.6,46 3.73,47 3.763,48 5.471,49 3.667,50 4.39,51 4.612,52 3.531,53 3.616,54 5.452,55 3.521,56 0.076,57 0.627,58 7.065,59 3.6,60 11.336,61 3.854,62 0.229,63 0.974,64 14.363,65 6.637,66 21.466,67 7.148,68 0.25,69 1.122,70 19.176,71 7.752,72 22.211,73 8.113,74 0.447,75 1.117,76 22.313,77 8.497,78 38.818,79 8.794,80 0.407,81 1.113,82 20.669,83 7.065,84 37.402,85 7.472,86 0.151,87 1.033,88 21.955,89 9.025,90 18.495,91 10.675,92 0.285,93 0.998,94 18.84,95 7.578,96 24.37,97 9.013,98 0.349,99 0.963,100 20.339,101 7.327,102 31.857,103 9.062,104 5,105 40,106 0.294,107 0.61,108 0.703,109 0.809,110 0.86,111 0.871,112 3.304,113 0.924,114 -4.97,115 -4.88,116 -4.57,119 45.2,125 1,139 9,140 2,141 3,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 8,169 2,170 7,172 3,173 3,175 1,178 8,180 1,182 7,187 1,189 6,191 1,192 1,193 3,195 3,196 3,197 1,198 1,200 2,201 4,204 1,205 1,207 3,212 2,215 11,218 2,221 2,229 12,233 1,234 4,239 2,241 8,243 2,245 2,246 5,248 1,249 1,251 2,254 5,256 2,260 4,265 2,268 3,270 2,273 976,274 17.861,275 17.861,276 17.861,277 17.861,278 17.861,279 15.132,280 16.925,281 10.705,282 18.329,283 14.359,284 14.359,285 14.359,286 14.359,287 14.359,288 10.358,289 20.766,290 5.12,291 15.165,292 3.684,293 1.851,294 1.307,295 0.693,296 0.399,297 0.333,298 4.005,300 1,301 1,302 1,303 620,304 2.646,306 53.512,307 228.022,310 100.799,314 1.485,315 20.308,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 56,327 282,328 4.638,329 4.464,330 6.78,331 4.163,332 3.189,333 4.608,334 3.272,335 11.108,336 3.111,337 4.228,338 3.327,339 6.167,340 3.805,341 2.883,342 3.831,343 0.86,344 9.171,345 2.647,346 3.846,347 3.061,348 5.334,349 3.394,350 2.442,351 3.404,353 6.904,354 2.325,355 3.705,356 2.758,357 5.294,358 3.257,359 2.326,360 3.153,362 6.675,363 2.158,364 3.407,365 2.345,366 5.063,367 2.924,368 1.98,369 2.789,371 5.791,372 1.866,373 3.091,374 2.092,375 4.77,376 2.715,377 1.79,378 2.265,380 5.034,381 1.649,382 2.98,383 2.062,384 4.348,385 2.534,386 1.578,387 2.172,389 4.156,390 1.5,391 2.893,392 1.646,393 3.652,394 2.424,395 1.461,396 2.055,398 3.13,399 1.389,400 2.764,401 1.56,402 3.589,403 2.289,404 1.309,405 1.88,407 2.895,408 1.276,409 2.5,410 1.399,411 3.552,412 2,413 1,414 1.5,415 2.136,416 1,417 2.305,418 1,419 3.247,420 1.83,421 0.858,422 1.221,423 2.113,424 0.829,425 1.865,426 0.856,427 3.196,428 1.488,429 0.617,430 0.748,431 1.487,432 0.524,433 1.358,434 0.683,435 2.801,436 1.003,437 0.095,438 0.116,439 0.239,440 0.085,441 1.104,442 0.18,443 2.68,444 0.673,445 -0.244,446 -0.31,448 -0.644,449 -0.223,450 0.906,451 -0.028,452 2.443,453 0.479,454 -0.443,455 -0.564,457 -1.125,458 -0.403,459 12.6,460 0.485,461 0.554,462 0.021,463 39,464 1.5,465 22,466 0.846,467 17,468 0.654,469 17.4,470 0.669,471 26.4,472 0.629,473 26.702,474 1.027,475 7.648,476 0.294,477 5.055,478 0.194,479 0.063,481 0.317,485 1.01,486 0.995,487 0.717,488 0.804,489 1.213,490 0.75,491 0.803,492 0.908,493 0.977,494 1.077,495 0.564,496 0.937,497 1.257,498 1.119,499 1.028,500 1.087,501 1.018,502 0.973,503 1.133,504 1.02,505 1.286,506 1.22,507 0.811,508 1.077,509 1.498,510 0.843,511 1.283,512 0.957,513 1.547,514 1.006,515 0.506,516 0.974,517 1.169,518 1.223,519 0.53,520 1.071,521 0.775,522 1.101,523 1.008,524 1.152,525 0.789,526 1.11,527 0.744,528 0.994,529 0.988,530 1.034,531 0.689,532 1.01,533 4.5,534 0.102,535 2.444,536 1.785,537 1.303,538 0.497,539 0.34,540 0.352,541 0.177,542 0.218,543 8478,544 24496,545 2.148,546 38.1,548 11,549 1,551 4,555 1.69,556 2.053,557 3.398,558 1.735,560 1,564 71.767,565 1.709,566 3.541,567 4.085,568 4.699,569 4.993,570 5.059,571 2.841,572 4.393,573 4.675,574 3.541,575 1150.95,576 8.097,577 14477.4,578 1,579 1,581 1,582 226.477,583 1.239,584 4.65,585 0.155,586 0.005,587 0.061,588 0.046,589 0.037,590 0.017,591 0.011,592 0.012,593 0.007,594 0.01,595 0.361,597 1,598 0.465,599 127.566,600 -0.137,601 0.069,602 0.038,603 0.087,604 -0.281,605 0.081,606 0.181,607 0.122,608 -0.011,609 -0.057,610 0.227,611 -0.042,612 -0.128,613 -0.109,614 0.025,615 -0.05,616 -0.119,617 -0.042,618 0.124,619 -0.015,620 -0.064,621 -0.082,622 0.228,623 -0.115,624 -0.354,625 0.191,626 -0.184,627 0.088,628 -0.449,629 -0.061,630 0.068,631 -0.055,632 -0.009,633 -0.064,634 0.082,635 0.017,636 0.128,637 -0.18,638 -0.034,639 -0.146,640 0.034,641 -0.105,642 0.198,643 -0.064,644 -0.012,645 -0.066,646 0.22,647 0.015,648 1.565,649 2.496,650 0.808,651 21.503,652 1.01,653 1.115,654 3.744,655 14.018,656 0.718,657 3.401,658 3.714,659 3.989,660 4.277,661 4.443,662 4.466,663 4.543,664 4.663,665 4.7,666 4.736,667 6.341,668 0.687,669 364.46,670 3.401,671 4.934,672 5.784,673 6.661,674 7.525,675 8.408,676 9.278,677 10.164,678 11.039,679 11.927,680 9.5,684 2,690 2,694 2,695 10,696 2,698 1,700 6,702 22,711 2,716 1,718 42,719 22,720 2,721 29,723 45,724 19,725 18,726 3,727 9,729 4,730 5,741 18,742 1,753 1,754 1,756 1,757 16,758 6,759 4,760 7,761 1,764 4,769 0.75,770 2,776 1,780 1,781 3,784 1,802 3,803 1,804 1,810 26,811 2,816 1,818 1,819 1,829 4.8,834 2,836 12.667,837 7.4,838 5.694,839 2.242,840 4.34,841 1.577,842 1.035,843 4.797,844 11.862,845 3.714,846 4.36,847 4.976,848 5.592,849 6.078,850 6.285,851 6.617,852 7.012,853 7.176,854 7.409,855 1,856 39,857 9.522,859 4.035,860 7.718,861 18.047,863 14.63,865 2.218,866 57.667,869 1,870 141.253,871 156.575,872 99.365,874 20.507,876 32.22,877 124.356,878 161.76,879 99.365,881 0.9,882 162.82,883 37.978,884 38.303,885 15.998,886 161.702,888 141.253,889 223.721,890 20.507,891 32.22,893 141.253,894 20.507,897 7.206,898 182.944,899 33.571,900 32.22,901 141.253,902 119.873,903 156.575,906 141.253,907 59.55,908 97.026,910 119.873,911 141.253,912 119.873,913 156.575,915 0.576,916 0.336,917 0.192,918 0.1,919 20,920 8,921 0.111,922 5,923 1,924 1.095,925 3.887,926 219.251,927 0.095,928 21,929 118.211,930 1,933 16.91,934 7.376,935 3.703,936 1.104,937 119.873,938 19.217,939 8.085,941 5.469,943 3.945,945 65.794,946 417.701,947 40,956 42.44,957 46.823,958 0.317,959 0.657,960 0.758,961 0.871,962 0.926,963 0.938,964 4.924,965 1.461,966 5.753,967 4.156,968 4.394,969 5.047,970 3.174,971 6.55,972 4.287,973 6.138,974 1.309,975 7.295,976 3.13,977 3.892,978 4.808,980 7.416,981 3.724,982 7.444,983 1,984 8.94,985 2.895,986 5.964,987 7.306,988 5.444,989 10.542,990 5.76,991 8.79,992 0.858,993 10.648,994 2.136,995 6.312,996 7.943,998 12.303,999 6.057,1000 10.17,1001 0.617,1002 12.4,1003 2.113,1004 7.828,1005 9.877,1006 7.807,1007 14.935,1008 7.546,1009 11.575,1010 0.095,1011 14.182,1012 1.487,1013 8.59,1014 10.954,1016 17.07,1017 8.27,1018 13.002,1019 -0.244,1020 15.988,1021 0.239,1022 9.875,1023 12.645,1024 10.177,1025 19.539,1026 9.532,1027 3.189,1028 -0.443,1029 17.811,1030 -0.644,1031 10.838,1032 13.947,1034 21.828,1035 10.466,1036 2.883,1037 11.108,1038 19.65,1039 -1.125,1040 12.029,1041 15.533,1042 12.548,1043 24.245,1044 11.635,1045 2.442,1046 9.171,1047 21.5,1048 4.608,1049 13.087,1050 16.948,1052 26.598,1053 12.67,1054 2.326,1055 6.904,1056 23.36,1057 3.831,1058 14.242,1059 18.491,1060 14.919,1061 28.999,1062 13.806,1063 1.98,1064 6.675,1065 25.228,1066 3.404,1067 15.345,1068 19.961,1070 31.379,1071 14.888,1072 1.79,1073 5.791,1074 27.102,1075 3.153,1076 16.489,1077 21.488,1078 17.29,1079 33.778,1080 16.014,1081 1.578,1082 5.034,1083 28.982,1084 2.789,1085 17.614,1086 22.986,1088 36.17,1089 17.119,1090 7955,1091 13691,1092 19.879,1093 30.148,1094 43.34,1095 46.349,1096 43.862,1097 43.086,1098 43.059,1099 59.484,1100 8.265,1101 121.679,1102 40.717,1103 5.496,1104 6.464,1105 6.582,1106 5.299,1107 5.189,1108 7.608,1109 6.545,1110 17.998,1111 5.111,1112 9.33,1113 1.494,1114 1.598,1115 1.512,1116 1.486,1117 1.485,1118 2.051,1119 0.285,1120 4.196,1121 1.404,1122 4.085,1123 4.103,1124 4.122,1125 3.962,1126 5.362,1127 3.971,1128 3.936,1129 3.953,1130 3.956,1131 3.852,1132 4.984,1133 3.856,1134 3.81,1135 3.838,1136 3.789,1137 3.767,1138 4.947,1139 3.751,1140 3.428,1141 3.493,1142 3.487,1143 3.262,1144 4.926,1145 3.246,1146 3.099,1147 3.197,1148 3.249,1149 2.965,1150 4.671,1151 2.921,1152 3.053,1153 3.109,1154 2.961,1155 2.823,1156 4.189,1157 2.835,1158 2.998,1159 3.024,1160 2.917,1161 2.735,1162 4.141,1163 2.775,1164 2.854,1165 2.925,1166 2.687,1167 2.728,1168 3.871,1169 2.715,1170 0.16,1171 0.154,1172 0.234,1173 0.144,1174 0.11,1175 4.638,1176 0.159,1177 4.464,1178 0.113,1179 6.78,1180 0.383,1181 4.163,1182 0.107,1183 3.189,1184 4.608,1185 3.272,1186 11.108,1187 3.111,1188 1.911,1189 1.895,1190 2.011,1191 2.005,1192 1.13,1193 2.009,1194 1.838,1195 1.812,1196 1.939,1197 1.989,1198 1.045,1199 1.955,1200 1.8,1201 1.77,1202 1.854,1203 1.893,1204 0.996,1205 1.913,1206 1.459,1207 1.434,1208 1.58,1209 1.663,1210 0.63,1211 1.652,1212 0.991,1213 0.965,1214 1.253,1215 1.356,1216 0.227,1217 1.336,1218 0.957,1219 0.909,1220 1.181,1221 1.303,1222 0.218,1223 1.284,1224 0.938,1225 0.868,1226 1.173,1227 1.157,1228 0.196,1229 1.148,1230 0.886,1231 0.821,1232 1.155,1233 1.062,1234 0.134,1235 1.107,1236 4.078,1238 5.389,1239 2.398,1240 6.897,1241 4.727,1242 8.497,1243 6.843,1244 10.145,1250 11.586,1252 0.639,1254 5.996,1255 1.624,1262 28.863,1263 71.767,1264 148.729,1265 171.583,1266 197.358,1267 209.722,1268 212.477,1269 33.096,1270 7.522,1271 100.19,1272 125.49,1273 23,1274 12.46,1275 4.524,1276 3.585,1277 38.06,1278 100,1279 92,1280 0.186,1281 180.478,1282 297.91,1283 432.126,1284 20792,1286 17.933,1287 0.69,1288 0.56,1289 18.286,1290 14.571,1291 12.704,1292 0.438,1293 0.308,1294 7.922,1295 11.796,1296 7.681,1297 6.369,1298 13.158,1299 8.929,1300 11.35,1301 0.284,1302 0.164,1303 11.901,1304 6.576,1305 9.469,1306 0.179,1307 0.092,1308 10.192,1309 4.862,1310 8.398,1311 0.118,1312 0.05,1313 9.149,1314 3.528,1315 6.417,1316 0.076,1317 0.029,1318 7.24,1319 2.417,1320 0.292,1321 83.881,1322 0.224,1323 25.16,1324 0.506,1325 138,1326 414.246,1327 174.527,1328 423.3,1329 589.3,1330 398,1331 162,1332 436.017,1333 196.566,1334 451.542,1335 662.44,1336 425,1337 4.743}
{0 CHEMBL597382,1 1.779,2 8.565,3 2.202,4 4.85,5 93.873,6 8.286,7 0.64,8 3.818,9 3.937,10 3.512,11 3.328,12 5.021,13 3.313,14 4.286,15 4.449,16 3.908,17 3.7,18 5.452,19 3.66,20 4.366,21 4.499,22 4.07,23 3.842,24 5.511,25 3.781,26 4.478,27 4.629,28 4.034,29 3.89,30 5.621,31 3.781,32 4.544,33 4.751,34 3.762,35 3.841,36 5.578,37 3.72,38 4.536,39 4.753,40 3.734,41 3.739,42 5.558,43 3.657,44 4.5,45 4.697,46 3.621,47 3.608,48 5.627,49 3.558,50 4.442,51 4.68,52 3.304,53 3.473,54 5.493,55 3.36,56 0.101,57 0.638,58 7.962,59 3.413,60 11.673,61 3.997,62 0.349,63 0.949,64 16.099,65 6.22,66 28.344,67 7.078,68 0.278,69 1.104,70 18.677,71 6.522,72 17.641,73 7.048,74 0.328,75 1.202,76 24.927,77 8.507,78 24.911,79 9.631,80 0.408,81 1.174,82 25.946,83 8.247,84 32.385,85 10.001,86 0.313,87 1.08,88 23.374,89 7.707,90 26.538,91 10.107,92 0.603,93 0.966,94 21.451,95 6.483,96 43.28,97 8.059,98 0.469,99 0.894,100 19.014,101 6.094,102 37.082,103 8.523,104 30,105 36,106 0.315,107 0.67,108 0.77,109 0.818,110 0.835,111 0.862,112 3.189,113 0.919,114 -3.48,115 -3.46,116 -3.3,119 37.5,120 1,124 2,139 3,140 1,141 4,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 1,169 1,170 5,172 3,173 4,175 3,178 3,180 1,182 4,187 1,189 4,193 4,195 1,196 2,197 3,198 2,200 4,201 2,204 2,205 1,206 1,207 2,212 2,215 2,218 1,221 4,224 1,226 4,229 2,231 3,233 2,234 3,236 1,237 2,239 2,241 1,243 1,245 2,246 2,248 1,249 1,251 2,256 2,262 1,263 1,265 1,270 1,273 682,274 15.411,275 15.411,276 15.411,277 15.411,278 15.411,279 13.408,280 18.452,281 8.799,282 16.158,283 12.198,284 12.198,285 12.198,286 12.198,287 12.198,288 9.054,289 19.991,290 4.006,291 13.268,292 3.542,293 1.541,294 0.975,295 0.707,296 0.607,297 0.457,298 3.865,300 1,301 1,302 1,303 415,304 2.739,306 45.246,307 126.701,310 86.09,314 1.149,315 20.674,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50.5,327 197,328 4.709,329 4.611,330 6.911,331 4.222,332 3.276,333 4.681,334 2.95,335 11.596,336 3.096,337 4.263,338 3.465,339 6.182,340 3.824,341 2.891,342 3.911,343 0.86,344 9.212,345 2.686,346 3.828,347 2.903,348 5.662,349 3.374,350 2.455,351 3.312,352 0.86,353 7.378,354 2.252,355 3.541,356 2.713,357 5.221,358 3.146,359 2.232,360 2.86,362 6.487,363 2.027,364 3.435,365 2.489,366 5.141,367 2.96,368 2.034,369 2.807,371 6.028,372 1.878,373 3.221,374 2.191,375 4.942,376 2.752,377 1.836,378 2.487,380 5.482,381 1.678,382 2.904,383 2.107,384 4.445,385 2.48,386 1.571,387 2.042,389 4.296,390 1.41,391 2.512,392 1.79,393 4.149,394 2.073,395 1.15,396 1.516,398 3.245,399 1.049,400 1.941,401 1.266,402 3.165,403 1.639,404 0.772,405 0.872,407 1.37,408 0.662,409 1.497,410 0.917,411 2.958,412 1.211,413 0.357,414 0.396,415 0.543,416 0.302,417 1.299,418 0.676,419 2.729,420 0.946,421 0.081,422 0.095,423 0.181,424 0.069,425 1.14,426 0.451,427 2.628,428 0.667,429 -0.246,430 -0.328,431 -0.66,432 -0.224,433 0.842,434 -0.111,435 2.434,436 0.461,437 -0.441,438 -0.524,439 -0.878,440 -0.388,441 0.665,442 -0.162,443 2.296,444 0.327,445 -0.583,446 -0.675,448 -1.343,449 -0.527,450 0.602,451 -0.333,452 2.18,453 0.211,454 -0.729,455 -0.9,457 -1.87,458 -0.667,459 11,460 0.478,461 0.644,462 0.028,463 32,464 1.391,465 16.5,466 0.717,467 15.5,468 0.674,469 17.506,470 0.761,471 25,472 0.625,473 22.656,474 0.985,475 6.445,476 0.28,477 4.584,478 0.199,479 0.209,481 0.409,485 1.077,486 1.214,487 0.759,488 0.909,489 1.264,490 0.843,491 1.114,492 0.718,493 0.712,494 0.662,495 0.672,496 0.617,497 1.236,498 1.212,499 1.155,500 1.126,501 1.038,502 0.924,503 0.703,504 1.317,505 1.434,506 1.65,507 0.679,508 1.292,509 0.824,510 1.093,511 1.412,512 1.287,513 1.058,514 1.159,515 0.817,516 1.177,517 0.949,518 1.183,519 0.781,520 1.087,521 1.523,522 1.003,523 1.05,524 0.943,525 1.241,526 1.051,527 1.062,528 1.122,529 0.889,530 0.987,531 0.938,532 1.241,533 5.5,534 0.041,535 2.667,536 2.354,537 1.578,538 1.018,539 0.561,540 0.418,541 0.228,542 0.111,543 4890,544 14987,545 2.016,546 42.5,548 9,551 5,552 3,555 1.663,556 1.84,557 3.065,558 2.761,559 1,560 1,562 1,564 71.177,565 1.779,566 3.781,567 4.346,568 4.615,569 4.715,570 4.865,571 2.446,572 4.143,573 4.497,574 3.178,575 804.154,576 7.774,577 8909.55,578 1,579 1,581 1,582 212.877,583 1.538,584 4.428,585 0.22,586 0.01,587 0.074,588 0.062,589 0.045,590 0.034,591 0.019,592 0.015,593 0.013,594 0.012,595 0.505,596 0.17,597 1,598 0.982,599 105.411,600 -0.176,601 -0.03,602 0.04,603 0.061,604 -0.305,605 0.065,606 0.021,607 0.346,608 0.251,609 0.367,610 0.209,611 0.336,612 -0.228,613 -0.009,614 0.026,615 0.078,616 -0.198,617 0.024,618 0.119,619 -0.172,620 -0.116,621 -0.327,622 0.145,623 -0.263,624 -0.051,625 -0.025,626 -0.278,627 -0.162,628 -0.164,629 -0.158,630 0.048,631 -0.225,632 -0.021,633 -0.21,634 0.069,635 -0.087,636 -0.088,637 -0.08,638 -0.2,639 -0.09,640 -0.099,641 -0.148,642 0.009,643 -0.251,644 -0.156,645 -0.217,646 0.025,647 -0.304,648 1.522,649 2.031,650 0.652,651 15.698,652 1.014,653 1.133,654 2.25,655 5.06,656 0.679,657 3.258,658 3.611,659 3.912,660 4.22,661 4.431,662 4.543,663 4.585,664 4.644,665 4.644,666 4.615,667 5.118,668 0.647,669 331.44,670 3.258,671 4.812,672 5.68,673 6.583,674 7.473,675 8.383,676 9.28,677 10.192,678 11.094,679 12.008,680 12.5,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,716 2,718 40,719 16,720 1,721 25,723 42,724 15,725 12,726 3,727 3,729 3,730 4,734 1,741 12,742 3,753 1,754 1,757 17,758 6,759 5,760 8,761 1,764 5,769 0.667,770 2,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 3,810 23,811 2,818 2,819 1,829 5,834 2,836 12.5,837 8.067,838 5.139,839 1.999,840 3.232,841 1.459,842 0.998,843 4.454,844 10.274,845 3.526,846 4.216,847 4.865,848 5.518,849 6.052,850 6.392,851 6.726,852 7.12,853 7.325,854 7.564,855 0.833,856 38,857 8.404,859 3.487,860 7.775,861 15.809,863 12.51,865 2.275,866 52.333,870 141.253,871 116.1,872 116.151,874 22,876 32.22,877 83.88,878 163.253,879 116.151,880 30.591,882 94.223,883 35.286,884 54.947,885 6.984,886 173.473,888 141.253,889 200.031,890 22,891 32.22,893 141.253,894 22,897 29.225,898 137.235,899 33.571,900 32.22,901 141.253,902 138.151,903 116.1,906 141.253,907 57.08,908 59.02,909 16.786,910 121.365,911 141.253,912 138.151,913 116.1,915 0.584,916 0.357,917 0.201,918 0.11,919 18,920 9,921 0.095,922 4,923 1,924 1.133,925 3.357,926 189.184,927 0.133,928 15,929 104.042,930 1,933 16.079,934 6.371,935 3.006,936 1.378,937 121.365,938 5.627,939 8.247,940 3.191,943 4.768,945 82.58,946 395.504,947 33,956 40.542,957 45.322,958 0.334,959 0.71,960 0.817,961 0.867,962 0.886,963 0.914,964 4.771,965 1.15,966 5.694,967 4.296,968 4.29,969 4.902,970 3.062,971 6.553,972 4.132,973 6.021,974 0.772,975 7.286,976 3.245,977 4.007,978 4.913,980 7.538,981 3.795,982 7.364,983 0.357,984 8.973,985 1.37,986 5.932,987 7.232,988 5.041,989 10.66,990 5.644,991 8.744,992 0.081,993 10.716,994 0.543,995 6.431,996 8.04,998 12.476,999 6.088,1000 10.154,1001 -0.246,1002 12.494,1003 0.181,1004 7.867,1005 9.875,1006 7.186,1007 15.14,1008 7.465,1009 11.587,1010 -0.441,1011 14.299,1012 -0.66,1013 8.731,1014 11.064,1016 17.323,1017 8.273,1018 13.038,1019 -0.583,1020 16.124,1021 -0.878,1022 9.985,1023 12.71,1024 9.348,1025 19.833,1026 9.476,1027 3.276,1028 -0.729,1029 17.965,1030 -1.343,1031 11.017,1032 14.084,1034 22.171,1035 10.451,1036 2.891,1037 11.596,1038 19.82,1039 -1.87,1040 12.208,1041 15.656,1042 11.511,1043 24.632,1044 11.592,1045 2.455,1046 9.212,1047 21.687,1048 4.681,1049 13.315,1050 17.117,1052 27.033,1053 12.644,1054 2.232,1055 7.378,1056 23.564,1057 3.911,1058 14.487,1059 18.662,1060 13.675,1061 29.48,1062 13.764,1063 2.034,1064 6.487,1065 25.449,1066 3.312,1067 15.629,1068 20.163,1070 31.907,1071 14.851,1072 1.836,1073 6.028,1074 27.341,1075 2.86,1076 16.797,1077 21.701,1078 15.838,1079 34.352,1080 15.967,1081 1.571,1082 5.482,1083 29.239,1084 2.807,1085 17.956,1086 23.221,1088 36.791,1089 17.072,1090 4894,1091 8692,1092 16.126,1093 27.154,1094 37.301,1095 40.772,1096 39.952,1097 37.188,1098 37.308,1099 49.959,1100 9.34,1101 111.636,1102 34.219,1103 5.505,1104 6.611,1105 6.48,1106 5.38,1107 5.276,1108 7.681,1109 5.9,1110 18.648,1111 5.096,1112 13.238,1113 1.492,1114 1.631,1115 1.598,1116 1.488,1117 1.492,1118 1.998,1119 0.374,1120 4.465,1121 1.369,1122 4.11,1123 4.15,1124 4.196,1125 4.012,1126 5.319,1127 4.01,1128 3.888,1129 3.901,1130 3.895,1131 3.804,1132 4.981,1133 3.808,1134 3.47,1135 3.552,1136 3.488,1137 3.259,1138 4.91,1139 3.275,1140 3.321,1141 3.368,1142 3.248,1143 3.036,1144 4.746,1145 3.053,1146 3.152,1147 3.24,1148 3.134,1149 2.926,1150 4.601,1151 2.884,1152 3.103,1153 3.219,1154 2.948,1155 2.858,1156 4.154,1157 2.845,1158 2.966,1159 3.086,1160 2.878,1161 2.759,1162 4.118,1163 2.753,1164 2.881,1165 2.926,1166 2.739,1167 2.673,1168 3.766,1169 2.687,1170 0.188,1171 0.184,1172 0.276,1173 0.169,1174 0.131,1175 4.709,1176 0.187,1177 4.611,1178 0.118,1179 6.911,1180 0.464,1181 4.222,1182 0.124,1183 3.276,1184 4.681,1185 2.95,1186 11.596,1187 3.096,1188 1.879,1189 1.871,1190 1.938,1191 2.005,1192 1.091,1193 1.976,1194 1.792,1195 1.756,1196 1.83,1197 1.959,1198 0.94,1199 1.946,1200 1.584,1201 1.53,1202 1.768,1203 1.766,1204 0.833,1205 1.773,1206 1.237,1207 1.178,1208 1.592,1209 1.567,1210 0.586,1211 1.571,1212 1.132,1213 1.04,1214 1.536,1215 1.435,1216 0.557,1217 1.473,1218 1.036,1219 0.957,1220 1.283,1221 1.383,1222 0.276,1223 1.368,1224 0.914,1225 0.822,1226 1.21,1227 1.283,1228 0.157,1229 1.28,1230 0.881,1231 0.795,1232 1.109,1233 1.053,1234 0.007,1235 1.109,1236 3.932,1238 5.273,1239 2.398,1240 6.812,1241 4.844,1242 8.447,1243 7.034,1244 10.131,1246 5.209,1250 11.686,1254 10.714,1255 1.514,1262 25.885,1263 71.177,1264 151.228,1265 173.858,1266 184.612,1267 188.612,1268 194.612,1269 31.478,1270 7.041,1271 112.07,1272 137.37,1273 17,1274 12.523,1275 4.087,1276 3.17,1277 36.588,1278 70,1279 70,1280 0.263,1281 165.078,1282 270.89,1283 394.551,1284 9551,1286 16.56,1287 0.72,1288 0.601,1289 16.914,1290 13.822,1291 11.028,1292 0.441,1293 0.306,1294 6.765,1295 10.016,1296 6.435,1297 5.403,1298 11.437,1299 7.659,1300 10.02,1301 0.278,1302 0.165,1303 10.635,1304 5.941,1305 8.506,1306 0.174,1307 0.095,1308 9.38,1309 4.664,1310 7.443,1311 0.111,1312 0.052,1313 8.478,1314 3.488,1315 5.707,1316 0.069,1317 0.029,1318 6.704,1319 2.4,1320 0.397,1321 74.286,1322 0.249,1323 21.996,1324 0.769,1325 122,1326 384.579,1327 161.872,1328 389.874,1329 539.73,1330 366,1331 146,1332 390.411,1333 185.362,1334 413.265,1335 605.38,1336 385,1337 4.337}
{0 CHEMBL597383,1 1.674,2 9.545,3 4.187,4 17.53,5 91.971,6 9.088,7 0.667,8 3.73,9 3.861,10 3.452,11 3.313,12 4.898,13 3.291,14 4.215,15 4.375,16 3.864,17 3.726,18 5.383,19 3.668,20 4.451,21 4.649,22 3.911,23 3.834,24 5.51,25 3.742,26 4.475,27 4.682,28 3.801,29 3.782,30 5.567,31 3.657,32 4.48,33 4.729,34 3.649,35 3.66,36 5.499,37 3.502,38 4.342,39 4.626,40 3.285,41 3.492,42 5.186,43 3.319,44 4.054,45 4.291,46 3.384,47 3.359,48 5.075,49 3.249,50 3.976,51 4.189,52 3.573,53 3.327,54 5.109,55 3.243,56 0.084,57 0.576,58 5.709,59 2.769,60 11.544,61 3.496,62 0.191,63 0.879,64 11.287,65 5.4,66 20.562,67 7.072,68 0.244,69 0.992,70 20.646,71 7.014,72 27.093,73 9.093,74 0.336,75 0.987,76 23.21,77 7.58,78 37.514,79 9.882,80 0.465,81 0.94,82 28.302,83 6.765,84 52.565,85 8.689,86 0.322,87 0.767,88 25.166,89 7.033,90 37.766,91 9.59,92 0.214,93 0.626,94 15.833,95 4.759,96 26.269,97 6.286,98 0.184,99 0.575,100 14.082,101 4.355,102 19.66,103 5.708,104 17,105 34,106 0.301,107 0.685,108 0.798,109 0.86,110 0.889,111 0.889,112 3.146,113 0.954,114 -5.5,115 -5.38,116 -5.02,119 40.5,121 3,139 3,140 3,141 2,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 7,169 1,170 2,172 3,173 4,175 3,178 11,180 1,182 2,187 2,189 12,191 1,193 2,195 1,196 2,197 3,198 3,200 4,201 7,204 2,205 1,207 2,212 3,215 7,218 2,221 2,226 3,229 5,231 2,234 2,239 3,241 4,243 2,246 2,251 4,254 2,256 2,260 4,265 5,270 3,273 588,274 14.585,275 14.585,276 14.585,277 14.585,278 14.585,279 12.529,280 15.458,281 8.488,282 15.066,283 11.832,284 11.832,285 11.832,286 11.832,287 11.832,288 8.765,289 15.316,290 4.023,291 12.726,292 3.536,293 1.402,294 0.777,295 0.432,296 0.27,297 0.27,298 3.824,299 2,301 1,302 1,303 449,304 2.646,306 46.599,307 129.541,310 87.286,314 1.405,315 20.44,317 1,318 0.75,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.84,326 47.167,327 210,328 4.638,329 3.268,330 6.78,331 4.155,332 3.187,333 4.608,335 11.107,336 3.087,337 4.231,338 3.243,339 6.064,340 3.794,341 2.856,342 3.88,344 8.737,345 2.649,346 3.709,347 2.768,348 5.307,349 3.275,350 2.341,351 3.155,353 6.697,354 2.185,355 3.446,356 2.505,357 5.063,358 2.967,359 2.102,360 2.789,362 5.791,363 1.819,364 3.407,365 2.085,366 4.919,367 2.9,368 1.981,369 2.758,371 5.67,372 1.782,373 3.085,374 2.062,375 4.769,376 2.749,377 1.804,378 2.253,380 5.022,381 1.654,382 2.896,383 1.899,384 4.25,385 2.492,386 1.552,387 2.034,389 4.014,390 1.38,391 2.343,392 1.037,393 3.59,394 2.019,395 1.031,396 1.293,398 2.372,399 1.017,400 2.164,401 0.876,402 3.435,403 1.738,404 0.806,405 1.085,407 2.033,408 0.749,409 1.48,410 0.829,411 2.838,412 1.132,413 0.253,414 0.297,415 0.573,416 0.188,417 1.162,418 0.253,419 2.668,420 0.764,421 -0.096,422 -0.112,423 -0.233,424 -0.075,425 1.007,426 -0.068,427 2.371,428 0.572,429 -0.335,430 -0.431,431 -0.886,432 -0.295,433 0.784,434 -0.263,435 2.342,436 0.393,437 -0.518,438 -0.623,439 -1.26,440 -0.449,441 0.52,442 -0.344,443 2.091,444 0.171,445 -0.779,446 -0.927,448 -2.005,449 -0.547,450 0.23,451 -0.62,452 2,453 -0.137,454 -1,455 -1.207,457 -2.473,458 -0.788,459 10.929,460 0.497,461 0.63,462 0.029,463 29.5,464 1.341,465 15,466 0.682,467 14.5,468 0.659,469 17.297,470 0.786,471 23.271,472 0.629,473 18.645,474 0.847,475 5.58,476 0.254,477 4.962,478 0.226,479 0.204,481 0.366,485 0.908,486 1.157,487 0.562,488 0.712,489 1.025,490 0.731,491 0.478,492 0.934,493 0.572,494 0.841,495 0.39,496 0.869,497 0.99,498 1.174,499 0.925,500 1.011,501 0.881,502 1.003,503 0.852,504 1.092,505 1.092,506 1.241,507 0.832,508 1.236,509 1.288,510 0.902,511 1.083,512 1.02,513 1.365,514 1.175,515 0.889,516 0.757,517 0.908,518 0.881,519 0.896,520 0.92,521 1.03,522 0.871,523 0.885,524 0.804,525 1.067,526 0.845,527 0.923,528 1.149,529 0.836,530 0.865,531 0.89,532 0.801,533 5,534 0.099,535 2.667,536 2.035,537 1.303,538 0.452,539 0.243,540 0.275,541 0.243,542 0.18,543 5137,544 17634,545 2.043,546 40.5,547 6,548 3,549 1,551 5,555 1.641,556 1.886,557 3.213,558 2.779,560 1,564 61.933,565 1.674,566 3.807,567 4.432,568 4.777,569 4.939,570 4.939,571 2.681,572 4.187,573 4.436,574 3.376,575 779.801,576 7.595,577 8749.97,579 1,580 1,581 1,582 192.75,583 1.495,584 4.376,585 0.208,586 0.009,587 0.078,588 0.062,589 0.047,590 0.024,591 0.014,592 0.014,593 0.012,594 0.01,595 0.478,597 0.88,598 0.65,599 101.977,600 -0.188,601 0.061,602 -0.017,603 0.126,604 -0.227,605 0.099,606 0.23,607 0.179,608 0.08,609 0.062,610 0.27,611 0.039,612 -0.124,613 -0.168,614 -0.046,615 -0.052,616 -0.071,617 -0.045,618 0.062,619 -0.117,620 -0.151,621 -0.268,622 0.064,623 -0.266,624 -0.266,625 0.072,626 -0.144,627 -0.082,628 -0.316,629 -0.223,630 -0.06,631 0.088,632 0.023,633 0.138,634 -0.069,635 0.153,636 -0.137,637 0.082,638 0.022,639 0.171,640 -0.142,641 0.151,642 0.065,643 -0.189,644 0.183,645 0.126,646 0.065,647 0.184,648 1.496,649 2.065,650 0.682,651 15.884,652 1.012,653 1.132,654 4.273,655 18.261,656 0.711,657 3.219,658 3.555,659 3.807,660 4.078,661 4.205,662 4.19,663 4.159,664 4.248,665 4.248,666 4.263,667 5.78,668 0.674,669 336.25,670 3.219,671 4.762,672 5.609,673 6.494,674 7.357,675 8.244,676 9.113,677 10.001,678 10.874,679 11.764,680 13.5,684 2,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,717 2,718 37,719 16,720 1,721 24,723 39,724 15,725 12,726 3,727 3,729 3,730 4,731 2,739 3,741 12,742 3,754 1,757 15,758 4,759 5,760 7,761 2,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,807 2,810 22,811 2,816 3,828 2,836 11.667,837 6.436,838 4.778,839 2.112,840 3.1,841 1.451,842 1.025,843 4.427,844 9.978,845 3.497,846 4.171,847 4.784,848 5.401,849 5.858,850 6.072,851 6.274,852 6.589,853 6.566,854 6.669,855 1,856 33,857 8.051,859 3.409,860 7.798,861 15.248,863 12.501,865 2.298,866 50.556,870 117.711,871 66.967,872 116.151,873 78.297,877 66.967,878 196.008,879 116.151,881 7.604,882 103.271,883 35.286,884 32.731,885 15.998,886 105.94,887 78.297,888 117.711,889 183.118,891 78.297,893 117.711,897 28.004,898 121.544,899 111.868,901 117.711,902 116.151,903 145.265,906 117.711,907 29.491,908 37.476,909 16.786,910 177.663,911 117.711,912 116.151,913 145.265,915 0.589,916 0.342,917 0.188,918 0.097,919 17,920 8,921 0.103,922 4,923 1,924 1.133,925 3.443,926 168.893,927 0.133,928 15,929 98.107,933 15.404,934 6.322,935 3.318,936 1.507,937 99.365,938 7.404,939 8.154,940 3.081,943 4.121,945 82.58,946 379.127,947 32,956 37.458,957 41.871,958 0.321,959 0.731,960 0.851,961 0.917,962 0.948,963 0.948,964 4.727,965 1.031,966 5.609,967 4.014,968 4.234,969 4.856,971 6.425,972 4.097,973 5.966,974 0.806,975 7.174,976 2.372,977 3.892,978 4.808,980 7.338,981 3.635,982 7.294,983 0.253,984 8.837,985 2.033,986 5.832,987 7.16,989 10.442,990 5.601,991 8.659,992 -0.096,993 10.557,994 0.573,995 6.275,996 7.927,998 12.212,999 5.957,1000 10.055,1001 -0.335,1002 12.315,1003 -0.233,1004 7.72,1005 9.778,1007 14.848,1008 7.414,1009 11.474,1010 -0.518,1011 14.102,1012 -0.886,1013 8.536,1014 10.938,1016 16.99,1017 8.173,1018 12.912,1019 -0.779,1020 15.911,1021 -1.26,1022 9.789,1023 12.587,1025 19.467,1026 9.42,1027 3.187,1028 -1,1029 17.737,1030 -2.005,1031 10.782,1032 13.937,1034 21.764,1035 10.371,1036 2.856,1037 11.107,1038 19.578,1039 -2.473,1040 11.96,1041 15.505,1043 24.188,1044 11.533,1045 2.341,1046 8.737,1047 21.431,1048 4.608,1049 13.034,1050 16.945,1052 26.547,1053 12.574,1054 2.102,1055 6.697,1056 23.294,1057 3.88,1058 14.186,1059 18.48,1061 28.954,1062 13.704,1063 1.981,1064 5.791,1065 25.164,1066 3.155,1067 15.298,1068 19.962,1070 31.339,1071 14.785,1072 1.804,1073 5.67,1074 27.042,1075 2.789,1076 16.442,1077 21.487,1079 33.743,1080 15.905,1081 1.552,1082 5.022,1083 28.924,1084 2.758,1085 17.572,1086 22.99,1088 36.139,1089 17.007,1090 5009,1091 9379,1092 15.72,1093 26.313,1094 36.132,1095 36.812,1096 37.361,1097 36.108,1098 35.827,1099 48.304,1101 104.031,1102 33.02,1103 5.515,1104 5.268,1105 6.314,1106 5.227,1107 5.187,1108 7.608,1110 17.997,1111 5.087,1112 11.739,1113 1.506,1114 1.534,1115 1.557,1116 1.505,1117 1.493,1118 2.013,1120 4.335,1121 1.376,1122 4.113,1123 4.159,1124 4.107,1125 3.985,1126 5.321,1127 4.002,1128 3.924,1129 3.944,1130 4.059,1131 3.878,1132 5.005,1133 3.869,1134 3.535,1135 3.604,1136 3.638,1137 3.386,1138 4.981,1139 3.38,1140 3.35,1141 3.438,1142 3.436,1143 3.115,1144 4.769,1145 3.14,1146 3.097,1147 3.216,1148 3.249,1149 2.873,1150 4.667,1151 2.851,1152 2.943,1153 3.018,1154 2.981,1155 2.797,1156 4.13,1157 2.809,1158 2.895,1159 2.917,1160 2.85,1161 2.725,1162 4.02,1163 2.731,1164 2.58,1165 2.69,1166 2.742,1167 2.371,1168 3.879,1169 2.359,1170 0.193,1171 0.136,1172 0.283,1173 0.173,1174 0.133,1175 4.638,1176 0.192,1177 3.268,1179 6.78,1180 0.463,1181 4.155,1182 0.129,1183 3.187,1184 4.608,1186 11.107,1187 3.087,1188 1.923,1189 1.903,1190 2.028,1191 2.022,1192 1.324,1193 2.02,1194 1.829,1195 1.796,1196 1.884,1197 1.974,1198 1.067,1199 1.96,1200 1.619,1201 1.558,1202 1.769,1203 1.799,1204 0.851,1205 1.808,1206 1.339,1207 1.272,1208 1.55,1209 1.566,1210 0.644,1211 1.57,1212 1.035,1213 0.944,1214 1.289,1215 1.38,1216 0.36,1217 1.364,1218 0.927,1219 0.829,1220 1.249,1221 1.259,1222 0.13,1223 1.27,1224 0.849,1225 0.825,1226 1.089,1227 1.025,1229 1.059,1230 0.748,1231 0.658,1232 0.996,1233 0.947,1235 0.987,1236 3.892,1238 5.22,1239 2.398,1240 6.735,1241 4.727,1242 8.343,1243 6.843,1244 10.002,1247 12.176,1250 11.531,1252 2.582,1262 24.923,1263 61.933,1264 140.875,1265 163.995,1266 176.75,1267 182.75,1268 182.75,1269 32.307,1270 6.877,1271 93.61,1272 93.61,1273 17,1274 12.296,1275 4.087,1276 3.17,1277 34.671,1278 78,1279 62,1280 0.222,1281 162.621,1282 265.22,1283 388.555,1284 8609,1285 5.4,1286 15.69,1287 0.713,1288 0.602,1289 16.69,1290 13.248,1291 10.542,1292 0.439,1293 0.318,1294 6.865,1295 9.675,1296 6.665,1297 5.494,1298 11.119,1299 7.628,1300 9.815,1301 0.289,1302 0.175,1303 10.594,1304 5.937,1305 7.908,1306 0.18,1307 0.095,1308 8.55,1309 4.162,1310 6.839,1311 0.118,1312 0.051,1313 7.308,1314 2.953,1315 5.106,1316 0.077,1317 0.031,1318 5.806,1319 2.019,1320 0.35,1321 71.449,1322 0.252,1323 21.804,1324 0.601,1325 116,1326 326.654,1327 155.198,1328 386.944,1329 513.08,1330 358,1331 136,1332 340.021,1333 165.129,1334 366.351,1335 535.19,1336 345,1337 5.32}
{0 CHEMBL597583,1 1.626,2 11.077,3 2.809,4 7.89,5 101.751,6 7.295,7 0.571,8 4.001,9 4.129,10 3.536,11 3.427,12 5.157,13 3.437,14 4.51,15 4.691,16 3.866,17 3.793,18 5.596,19 3.781,20 4.63,21 4.802,22 3.968,23 3.933,24 5.702,25 3.903,26 4.776,27 4.967,28 3.976,29 4.003,30 5.855,31 3.94,32 4.926,33 5.156,34 3.693,35 3.976,36 5.873,37 3.871,38 4.838,39 5.099,40 3.462,41 3.886,42 5.647,43 3.724,44 4.737,45 5.039,46 3.394,47 3.741,48 5.508,49 3.582,50 4.555,51 4.843,52 3.449,53 3.6,54 5.406,55 3.49,56 0.091,57 0.723,58 10.782,59 3.965,60 12.338,61 5.487,62 0.42,63 1.062,64 20.178,65 6.934,66 32.676,67 9.276,68 0.417,69 1.235,70 21.926,71 7.531,72 24.263,73 10.818,74 0.411,75 1.355,76 25.73,77 9.35,78 36.829,79 13.122,80 0.736,81 1.355,82 32.817,83 9,84 61.201,85 13.242,86 0.525,87 1.206,88 30.261,89 9.624,90 45.681,91 14.241,92 0.448,93 1.063,94 28.236,95 8.499,96 42.857,97 13.256,98 0.296,99 0.929,100 22.959,101 6.936,102 31,103 10.91,104 35,105 39,106 0.276,107 0.61,108 0.732,109 0.763,110 0.786,111 0.815,112 3.304,113 0.884,114 -3.46,115 -3.44,116 -3.29,119 36.7,121 3,124 3,139 2,140 3,141 3,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 7,169 1,170 4,172 3,173 4,175 3,178 7,180 1,181 2,182 6,187 2,189 5,191 1,192 1,193 7,195 1,196 2,197 3,198 3,200 4,201 4,204 2,205 1,207 5,212 3,215 3,218 2,221 5,226 3,229 2,231 2,234 5,239 4,243 2,246 7,251 3,256 3,260 1,263 2,265 1,270 1,273 916,274 17.696,275 17.696,276 17.696,277 17.696,278 17.696,279 15.745,280 23.752,281 10.237,282 18.439,283 13.619,284 13.619,285 13.619,286 13.619,287 13.619,288 10.434,289 27.773,290 4.549,291 14.537,292 3.989,293 2.025,294 1.307,295 1.128,296 0.99,297 0.822,298 3.983,300 1,301 1,302 1,303 607,304 3.24,306 60.262,307 162.524,310 112.463,314 1.467,315 24.205,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 57.5,327 288,328 4.638,329 3.377,330 6.78,331 4.155,332 3.187,333 4.608,334 0.86,335 11.107,336 3.087,337 4.419,338 3.261,339 6.523,340 4.008,341 3.061,342 4.104,343 0.86,344 10.257,345 2.897,346 3.712,347 2.603,348 5.321,349 3.31,350 2.359,351 3.156,352 0.86,353 6.787,354 2.255,355 3.567,356 2.555,357 5.279,358 3.222,359 2.261,360 2.88,362 6.663,363 2.151,364 3.407,365 2.48,366 5.19,367 2.972,368 2.061,369 2.789,371 6.118,372 1.867,373 3.355,374 2.067,375 5.063,376 2.9,377 1.98,378 2.604,380 5.791,381 1.818,382 3.072,383 1.984,384 4.766,385 2.726,386 1.768,387 2.243,389 5.01,390 1.686,391 2.372,392 1.93,393 3.827,394 2.136,395 1.219,396 1.347,398 2.731,399 1.12,400 2.253,401 1.16,402 3.59,403 1.916,404 1.026,405 1.197,407 2.181,408 0.9,409 2.085,410 0.971,411 3.395,412 1.735,413 0.806,414 1.038,415 1.986,416 0.747,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.423,426 0.843,427 2.776,428 1.188,429 0.337,430 0.358,431 0.453,432 0.283,433 1.221,434 0.327,435 2.659,436 0.977,437 0.023,438 0.027,439 0.052,440 0.022,441 1.049,442 0.042,443 2.487,444 0.633,445 -0.293,446 -0.37,448 -0.689,449 -0.269,450 0.833,451 -0.237,452 2.297,453 0.449,454 -0.467,455 -0.571,457 -1.057,458 -0.424,459 12,460 0.462,461 0.606,462 0.023,463 34,464 1.308,465 16.5,466 0.635,467 17.5,468 0.673,469 20.894,470 0.804,471 29.4,472 0.6,473 25.127,474 0.966,475 6.903,476 0.265,477 5.664,478 0.218,479 0.192,481 0.375,485 1.031,486 1.405,487 0.842,488 1.195,489 1.146,490 0.996,491 1.191,492 0.802,493 0.806,494 0.8,495 0.778,496 0.759,497 0.812,498 1.274,499 0.887,500 1.145,501 0.797,502 1.041,503 0.711,504 1.264,505 0.979,506 1.387,507 0.626,508 1.268,509 1.607,510 0.93,511 1.441,512 1.031,513 1.544,514 1.18,515 1.037,516 0.971,517 1.183,518 1.114,519 1.002,520 1.182,521 0.739,522 0.793,523 0.837,524 0.834,525 0.799,526 0.855,527 0.646,528 0.963,529 0.674,530 0.887,531 0.587,532 0.8,533 5.5,534 0.221,535 2.889,536 2.597,537 1.774,538 0.806,539 0.243,540 0.309,541 0.197,542 0.293,543 7905,544 22774,545 2.014,546 46.9,547 6,548 11,549 1,551 5,555 1.688,556 1.857,557 3.396,558 2.596,559 1,560 1,564 79.656,565 1.626,566 3.59,567 4.308,568 4.486,569 4.624,570 4.793,571 2.811,572 4.239,573 4.678,574 3.566,575 1158.79,576 8.085,577 14843.9,579 1,581 1,582 275.121,583 1.502,584 4.615,585 0.196,586 0.009,587 0.074,588 0.062,589 0.044,590 0.029,591 0.011,592 0.014,593 0.008,594 0.012,595 0.46,596 0.17,597 1,598 0.998,599 128.3,600 -0.123,601 -0.119,602 0.036,603 -0.062,604 -0.173,605 0.019,606 -0.037,607 0.291,608 0.155,609 0.259,610 0.138,611 0.233,612 0.114,613 -0.128,614 0.029,615 -0.058,616 0.037,617 -0.028,618 0.158,619 -0.169,620 -0.062,621 -0.31,622 0.213,623 -0.248,624 -0.388,625 0.049,626 -0.439,627 -0.079,628 -0.437,629 -0.24,630 -0.15,631 -0.07,632 -0.214,633 -0.104,634 -0.198,635 -0.166,636 -0.004,637 0.05,638 0.146,639 0.142,640 -0.001,641 0.17,642 0.074,643 -0.085,644 0.3,645 0.101,646 0.186,647 0.227,648 1.499,649 1.995,650 0.577,651 21.325,652 1.009,653 1.14,654 2.231,655 4.979,656 0.638,657 3.367,658 3.689,659 3.989,660 4.277,661 4.394,662 4.419,663 4.394,664 4.407,665 4.407,666 4.5,667 6.553,668 0.612,669 357.46,670 3.367,671 4.905,672 5.765,673 6.655,674 7.53,675 8.424,676 9.302,677 10.197,678 11.077,679 11.972,680 10.2,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,716 3,718 49,719 16,720 1,721 28,723 51,724 18,725 12,726 4,727 2,729 3,730 4,739 3,741 12,742 6,753 1,754 1,757 23,758 7,759 5,760 8,764 5,769 0.667,770 3,776 1,777 1,780 1,781 2,784 1,802 2,806 3,810 26,811 2,816 3,818 3,829 6.1,834 3,836 14,837 9.567,838 5.972,839 2.617,840 3.108,841 1.431,842 0.973,843 5.734,844 10.325,845 3.611,846 4.259,847 4.902,848 5.525,849 5.974,850 6.235,851 6.437,852 6.666,853 6.64,854 6.801,855 1,856 42,857 9.526,859 3.903,860 7.75,861 18.054,863 14.213,865 2.25,866 58.5,869 1,870 211.88,871 98.869,872 116.151,874 33,877 98.869,878 244.879,879 116.151,880 32.649,881 7.604,882 93.794,883 35.286,884 74.46,885 15.998,886 200.109,888 211.88,889 215.02,890 33,893 211.88,894 33,897 28.004,898 153.446,899 33.571,901 211.88,902 149.151,903 98.869,906 211.88,907 38.22,908 60.649,909 16.786,910 132.365,911 211.88,912 149.151,913 98.869,915 0.572,916 0.359,917 0.21,918 0.105,919 18,920 9,921 0.137,922 7,923 1,924 1.133,925 3.73,926 212.784,927 0.133,928 15,929 114.211,933 18.605,934 8.013,935 3.837,936 1.502,937 132.365,938 5.841,939 8.215,940 3.102,943 4.65,945 82.58,946 459.9,947 36,956 49.443,957 55.857,958 0.29,959 0.639,960 0.767,961 0.799,962 0.824,963 0.854,964 4.844,965 1.219,966 5.759,967 5.01,968 4.369,969 4.945,970 1.693,971 6.6,972 4.254,973 6.071,974 1.026,975 7.338,976 2.731,977 4.007,978 4.913,980 7.576,981 3.861,982 7.402,983 0.806,984 9.015,985 2.181,986 5.989,987 7.251,988 1.454,989 10.685,990 5.791,991 8.774,992 0.396,993 10.752,994 1.986,995 6.447,996 8.047,998 12.494,999 6.213,1000 10.178,1001 0.337,1002 12.526,1003 0.603,1004 7.901,1005 9.878,1006 1.232,1007 15.13,1008 7.632,1009 11.606,1010 0.023,1011 14.328,1012 0.453,1013 8.74,1014 11.058,1016 17.286,1017 8.431,1018 13.052,1019 -0.293,1020 16.149,1021 0.052,1022 9.995,1023 12.694,1024 1.028,1025 19.762,1026 9.655,1027 3.187,1028 -0.467,1029 17.987,1030 -0.689,1031 11.007,1032 14.053,1034 22.058,1035 10.626,1036 3.061,1037 11.107,1038 19.837,1039 -1.057,1040 12.188,1041 15.611,1042 0.845,1043 24.477,1044 11.776,1045 2.359,1046 10.257,1047 21.698,1048 4.608,1049 13.275,1050 17.053,1052 26.828,1053 12.825,1054 2.261,1055 6.787,1056 23.566,1057 4.104,1058 14.431,1059 18.582,1060 0.684,1061 29.227,1062 13.947,1063 2.061,1064 6.663,1065 25.442,1066 3.156,1067 15.551,1068 20.062,1070 31.601,1071 15.03,1072 1.98,1073 6.118,1074 27.323,1075 2.88,1076 16.698,1077 21.58,1078 0.546,1079 33.994,1080 16.144,1081 1.768,1082 5.791,1083 29.208,1084 2.789,1085 17.833,1086 23.079,1088 36.377,1089 17.242,1090 7794,1091 13340,1092 18.205,1093 31.245,1094 40.899,1095 42.152,1096 43.899,1097 40.886,1098 40.969,1099 53.599,1100 5.16,1101 119.477,1102 38.352,1103 5.516,1104 5.377,1105 6.333,1106 5.227,1107 5.187,1108 7.608,1109 1.72,1110 18.027,1111 5.087,1112 14.943,1113 1.461,1114 1.505,1115 1.568,1116 1.46,1117 1.463,1118 1.914,1119 0.184,1120 4.267,1121 1.37,1122 4.114,1123 4.16,1124 4.084,1125 3.984,1126 5.322,1127 4.002,1128 3.947,1129 3.96,1130 3.906,1131 3.853,1132 4.982,1133 3.863,1134 3.557,1135 3.618,1136 3.443,1137 3.389,1138 4.971,1139 3.392,1140 3.375,1141 3.456,1142 3.274,1143 3.126,1144 4.769,1145 3.157,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.224,1153 3.299,1154 3.034,1155 2.942,1156 4.464,1157 2.95,1158 3.164,1159 3.252,1160 2.974,1161 2.889,1162 4.238,1163 2.886,1164 3.085,1165 3.205,1166 2.917,1167 2.765,1168 4.105,1169 2.8,1170 0.166,1171 0.121,1172 0.242,1173 0.148,1174 0.114,1175 4.638,1176 0.165,1177 3.377,1178 0.031,1179 6.78,1180 0.397,1181 4.155,1182 0.11,1183 3.187,1184 4.608,1185 0.86,1186 11.107,1187 3.087,1188 1.92,1189 1.903,1190 2.038,1191 2.036,1192 1.325,1193 2.031,1194 1.828,1195 1.797,1196 1.89,1197 2.001,1198 1.072,1199 1.966,1200 1.62,1201 1.562,1202 1.773,1203 1.821,1204 0.853,1205 1.821,1206 1.359,1207 1.3,1208 1.596,1209 1.607,1210 0.655,1211 1.606,1212 1.227,1213 1.163,1214 1.59,1215 1.558,1216 0.584,1217 1.565,1218 1.176,1219 1.092,1220 1.567,1221 1.508,1222 0.57,1223 1.527,1224 1.135,1225 1.045,1226 1.479,1227 1.428,1228 0.543,1229 1.45,1230 1.012,1231 0.915,1232 1.277,1233 1.371,1234 0.328,1235 1.359,1236 4.043,1238 5.361,1239 2.398,1240 6.882,1241 4.727,1242 8.505,1243 6.843,1244 10.183,1246 4.819,1250 11.627,1252 2.586,1254 16.158,1262 29.993,1263 79.656,1264 175.888,1265 211.082,1266 219.837,1267 226.591,1268 234.856,1269 40.919,1270 7.217,1271 121.3,1272 121.3,1273 17,1274 12.5,1275 4.087,1276 3.17,1277 44.559,1278 106,1279 88,1280 0.21,1281 186.721,1282 313.07,1283 447.359,1284 13111,1286 18.681,1287 0.719,1288 0.582,1289 18.681,1290 15.127,1291 12.566,1292 0.449,1293 0.295,1294 8.056,1295 11.847,1296 7.791,1297 6.538,1298 12.566,1299 8.248,1300 10.906,1301 0.28,1302 0.151,1303 10.906,1304 5.892,1305 9.324,1306 0.176,1307 0.081,1308 9.324,1309 4.295,1310 8.341,1311 0.117,1312 0.044,1313 8.341,1314 3.105,1315 6.099,1316 0.076,1317 0.025,1318 6.099,1319 1.997,1320 0.335,1321 80.593,1322 0.234,1323 25.197,1324 0.564,1325 134,1326 425.454,1327 150.795,1328 401.77,1329 552.17,1330 378,1331 159,1332 408.932,1333 176.183,1334 416.317,1335 606.45,1336 386,1337 5.32}
{0 CHEMBL597770,1 1.947,2 8.636,3 4.693,4 22.028,5 94.815,6 11.709,7 0.667,8 3.622,9 3.725,10 3.596,11 3.3,12 4.876,13 3.259,14 4.065,15 4.184,16 4.088,17 3.717,18 5.359,19 3.649,20 4.243,21 4.346,22 4.357,23 3.885,24 5.537,25 3.765,26 4.249,27 4.379,28 4.203,29 3.766,30 5.563,31 3.633,32 4.238,33 4.446,34 4.026,35 3.602,36 5.436,37 3.483,38 4.135,39 4.346,40 3.733,41 3.53,42 5.187,43 3.397,44 3.993,45 4.155,46 3.712,47 3.418,48 5.246,49 3.304,50 3.897,51 4.093,52 3.677,53 3.218,54 5.228,55 3.114,56 0.148,57 0.513,58 1.243,59 2.169,60 14.099,61 1.858,62 0.26,63 0.785,64 5.225,65 4.212,66 21.446,67 4.668,68 0.387,69 0.878,70 17.652,71 5.901,72 30.816,73 4.718,74 0.414,75 0.906,76 20.443,77 6.405,78 33.534,79 5.637,80 0.497,81 0.876,82 15.848,83 5.314,84 46.375,85 3.948,86 0.34,87 0.689,88 18.266,89 6.437,90 27.775,91 7.531,92 0.357,93 0.565,94 15.299,95 4.836,96 30.674,97 4.8,98 0.392,99 0.456,100 16.363,101 4.46,102 37.33,103 4.792,104 37,105 36,106 0.361,107 0.731,108 0.803,109 0.865,110 0.877,111 0.877,112 3.147,113 1.007,114 -5.26,115 -5.15,116 -4.82,119 40.6,120 1,139 2,140 2,141 4,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 2,169 1,170 2,172 3,173 4,175 4,178 6,180 1,182 2,187 2,189 9,191 1,193 3,195 1,196 2,197 3,198 3,200 4,201 3,204 2,205 1,207 1,212 4,215 6,218 2,221 1,226 3,229 5,231 2,234 3,239 2,241 3,243 1,246 3,251 3,254 2,256 3,260 2,265 3,270 3,273 584,274 14.171,275 14.171,276 14.171,277 14.171,278 14.171,279 12.01,280 13.83,281 7.93,282 14.922,283 11.791,284 11.791,285 11.791,286 11.791,287 11.791,288 8.585,289 14.621,290 3.761,291 13.265,292 3.053,293 1.059,294 0.672,295 0.336,296 0.274,297 0.274,298 3.817,299 3,301 1,302 1,303 403,304 2.449,306 43.274,307 124.937,310 84.8,314 1.215,315 24.376,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 47.5,327 190,328 4.701,329 4.6,330 6.876,331 4.217,332 3.264,333 4.676,334 2.95,335 11.411,336 3.119,337 4.345,338 3.501,339 6.216,340 3.848,341 2.963,342 4.036,344 9.232,345 2.547,346 3.86,347 3.23,348 5.764,349 3.393,350 2.507,351 3.335,353 7.7,354 2.232,355 3.647,356 2.962,357 5.573,358 3.152,359 2.3,360 3.019,362 6.962,363 1.885,364 3.434,365 2.519,366 5.141,367 2.948,368 2.035,369 2.81,371 6.042,372 1.802,373 3.227,374 2.289,375 4.96,376 2.738,377 1.83,378 2.497,380 5.529,381 1.65,382 2.998,383 2.065,384 4.5,385 2.505,386 1.617,387 2.183,389 4.509,390 1.351,391 2.534,392 1.977,393 4.223,394 2.126,395 1.22,396 1.544,398 3.374,399 1.088,400 1.846,401 1.708,402 3.382,403 1.345,404 0.652,405 0.746,407 1.625,408 0.387,409 1.186,410 0.59,411 2.768,412 0.803,413 -0.076,414 -0.091,415 -0.203,416 -0.059,417 1.138,418 0.357,419 2.715,420 0.681,421 -0.195,422 -0.251,423 -0.522,424 -0.175,425 0.883,426 0.254,427 2.632,428 0.418,429 -0.458,430 -0.575,431 -1.183,432 -0.292,433 0.734,434 0.015,435 2.464,436 0.288,437 -0.531,438 -0.629,439 -1.273,440 -0.391,441 0.45,442 -0.304,443 2.187,444 0.072,445 -0.709,446 -0.811,448 -1.717,449 -0.538,450 0.192,451 -0.399,452 1.697,453 -0.275,454 -1.05,455 -1.271,457 -2.805,458 -0.763,459 11.476,460 0.522,461 0.809,462 0.037,463 30.25,464 1.375,465 15.5,466 0.705,467 14.75,468 0.67,469 18.84,470 0.856,471 22.724,472 0.71,473 19.412,474 0.882,475 5.705,476 0.259,477 4.658,478 0.212,479 0.3,481 0.436,485 0.91,486 1.015,487 0.547,488 0.533,489 1.065,490 0.551,491 0.52,492 0.81,493 0.562,494 0.642,495 0.429,496 0.593,497 1.135,498 1.214,499 1.031,500 1.043,501 0.992,502 0.934,503 0.814,504 1.244,505 1.04,506 1.368,507 0.743,508 1.266,509 1.044,510 0.825,511 0.599,512 0.665,513 1.225,514 0.88,515 0.577,516 0.996,517 0.709,518 0.945,519 0.551,520 0.931,521 1.134,522 1.094,523 1.216,524 1.179,525 1.196,526 1.186,527 1.173,528 0.968,529 1.128,530 0.901,531 1.151,532 0.947,533 6,534 0.049,535 3.111,536 2.667,537 1.654,538 0.778,539 0.512,540 0.374,541 0.27,542 0.137,543 4507,544 19370,545 1.991,546 31.3,547 3,548 2,551 5,555 1.647,556 1.784,557 3.092,558 2.869,564 62.31,565 1.947,566 3.941,567 4.328,568 4.664,569 4.726,570 4.726,571 2.478,572 4.005,573 4.435,574 3.204,575 740.226,576 7.624,577 7929.32,579 1,582 160,583 1.539,584 4.344,585 0.25,586 0.01,587 0.086,588 0.072,589 0.053,590 0.032,591 0.022,592 0.018,593 0.015,594 0.012,595 0.572,596 0.17,597 1,598 0.714,599 99.7,600 -0.249,601 0.12,602 -0.028,603 0.191,604 -0.345,605 0.146,606 0.197,607 0.258,608 0.121,609 0.215,610 0.239,611 0.236,612 -0.221,613 -0.129,614 -0.044,615 0.003,616 -0.159,617 -0.088,618 0.069,619 -0.167,620 -0.094,621 -0.308,622 0.116,623 -0.367,624 -0.168,625 0.26,626 0.163,627 0.271,628 -0.29,629 0.068,630 0.196,631 -0.148,632 0.173,633 0.078,634 0.204,635 0.237,636 -0.115,637 -0.201,638 -0.193,639 -0.24,640 -0.172,641 -0.19,642 0.026,643 -0.154,644 0.024,645 0.033,646 0.071,647 0.14,648 1.546,649 2.097,650 0.682,651 14.777,652 1.034,653 1.122,654 4.03,655 16.241,656 0.79,657 3.219,658 3.611,659 3.892,660 4.174,661 4.369,662 4.443,663 4.477,664 4.605,665 4.625,666 4.595,667 5.146,668 0.746,669 374.7,670 3.219,671 4.796,672 5.666,673 6.575,674 7.463,675 8.374,676 9.269,677 10.18,678 11.079,679 11.991,680 15.6,684 2,688 1,690 2,694 2,695 2,696 2,697 1,700 8,702 16,711 2,717 3,718 32,719 16,720 1,721 24,723 34,724 13,725 12,726 4,727 2,729 3,730 4,731 3,734 1,741 12,742 1,754 1,757 10,758 4,759 5,760 9,761 4,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 1,807 3,810 22,811 2,819 1,828 3,836 12.333,837 6.079,838 4.667,839 1.64,840 3.166,841 1.455,842 1.032,843 4.351,844 10.118,845 3.497,846 4.23,847 4.865,848 5.503,849 6.03,850 6.348,851 6.675,852 7.115,853 7.345,854 7.616,855 0.833,856 37,857 8.022,859 3.452,860 7.924,861 14.873,863 12.172,865 2.424,866 53.333,870 58.856,871 84.873,872 116.151,873 117.446,876 32.22,877 52.653,878 176.301,879 116.151,880 8.825,882 84.747,883 35.286,884 35.719,885 4.227,886 91.075,887 117.446,888 58.856,889 168.804,891 149.665,893 58.856,897 30.347,898 104.886,899 151.017,900 32.22,901 58.856,902 116.151,903 202.318,906 58.856,907 57.095,908 27.778,909 16.786,910 216.811,911 58.856,912 116.151,913 202.318,915 0.607,916 0.361,917 0.191,918 0.102,919 19,920 10,921 0.059,922 2,923 1,924 1.133,925 3.271,926 177.991,927 0.133,928 15,929 98.107,930 1,933 16.017,934 5.977,935 2.991,936 1.328,937 99.365,938 3.323,939 8.128,940 3.172,943 4.333,945 82.58,946 377.325,947 32,956 33.091,957 35.904,958 0.389,959 0.788,960 0.866,961 0.933,962 0.945,963 0.945,964 4.762,965 1.22,966 5.707,967 4.509,968 4.29,969 4.916,970 2.913,971 6.575,972 4.064,973 6.04,974 0.652,975 7.314,976 3.374,977 4.111,978 5.007,980 7.554,981 3.744,982 7.397,983 -0.076,984 9.013,985 1.625,986 5.953,987 7.27,988 5.027,989 10.673,990 5.566,991 8.787,992 -0.195,993 10.763,994 -0.203,995 6.509,996 8.115,998 12.446,999 6.012,1000 10.203,1001 -0.458,1002 12.544,1003 -0.522,1004 7.906,1005 9.924,1006 7.185,1007 15.113,1008 7.392,1009 11.64,1010 -0.531,1011 14.348,1012 -1.183,1013 8.794,1014 11.128,1016 17.249,1017 8.208,1018 13.093,1019 -0.709,1020 16.17,1021 -1.273,1022 10.031,1023 12.761,1024 9.348,1025 19.755,1026 9.42,1027 3.264,1028 -1.05,1029 18.006,1030 -1.717,1031 11.07,1032 14.138,1034 22.056,1035 10.409,1036 2.963,1037 11.411,1038 19.854,1039 -2.805,1040 12.25,1041 15.702,1042 11.511,1043 24.505,1044 11.562,1045 2.507,1046 9.232,1047 21.713,1048 4.676,1049 13.357,1050 17.161,1052 26.877,1053 12.628,1054 2.3,1055 7.7,1056 23.581,1057 4.036,1058 14.521,1059 18.7,1060 13.675,1061 29.309,1062 13.762,1063 2.035,1064 6.962,1065 25.456,1066 3.335,1067 15.659,1068 20.198,1070 31.714,1071 14.864,1072 1.83,1073 6.042,1074 27.338,1075 3.019,1076 16.82,1077 21.73,1078 15.838,1079 34.142,1080 15.994,1081 1.617,1082 5.529,1083 29.226,1084 2.81,1085 17.973,1086 23.246,1088 36.561,1089 17.113,1090 4485,1091 9434,1092 15.145,1093 25.296,1094 37.184,1095 40.833,1096 39.273,1097 36.945,1098 36.776,1099 49.695,1100 5.9,1101 112.769,1102 32.12,1103 5.482,1104 6.6,1105 5.876,1106 5.379,1107 5.264,1108 7.676,1109 5.9,1110 18.574,1111 5.119,1112 13.949,1113 1.549,1114 1.701,1115 1.636,1116 1.539,1117 1.532,1118 2.071,1119 0.246,1120 4.699,1121 1.338,1122 4.11,1123 4.15,1124 4.258,1125 4.014,1126 5.319,1127 4.011,1128 3.882,1129 3.885,1130 4.081,1131 3.852,1132 5.079,1133 3.84,1134 3.441,1135 3.518,1136 3.731,1137 3.254,1138 4.981,1139 3.255,1140 3.132,1141 3.242,1142 3.542,1143 2.981,1144 4.747,1145 2.923,1146 3.015,1147 3.143,1148 3.381,1149 2.849,1150 4.681,1151 2.834,1152 2.926,1153 2.919,1154 3.141,1155 2.775,1156 4.484,1157 2.77,1158 2.879,1159 2.898,1160 2.98,1161 2.703,1162 4.114,1163 2.714,1164 2.497,1165 2.63,1166 2.776,1167 2.314,1168 3.861,1169 2.251,1170 0.196,1171 0.192,1172 0.287,1173 0.176,1174 0.136,1175 4.701,1176 0.195,1177 4.6,1178 0.123,1179 6.876,1180 0.475,1181 4.217,1182 0.13,1183 3.264,1184 4.676,1185 2.95,1186 11.411,1187 3.119,1188 1.864,1189 1.863,1190 1.888,1191 2.01,1192 1.079,1193 1.972,1194 1.825,1195 1.788,1196 1.837,1197 1.886,1198 1.008,1199 1.912,1200 1.531,1201 1.483,1202 1.677,1203 1.71,1204 0.713,1205 1.717,1206 1.083,1207 0.996,1208 1.308,1209 1.416,1210 0.34,1211 1.405,1212 0.945,1213 0.828,1214 1.262,1215 1.35,1216 0.145,1217 1.342,1218 0.861,1219 0.826,1220 1.062,1221 1.006,1223 1.051,1224 0.817,1225 0.812,1226 0.979,1227 0.967,1229 1,1230 0.614,1231 0.517,1232 0.567,1233 0.772,1235 0.81,1236 3.892,1238 5.263,1239 2.398,1240 6.817,1241 4.844,1242 8.46,1243 7.034,1244 10.149,1246 1.919,1247 18.192,1250 11.528,1255 1.409,1262 23.884,1263 62.31,1264 126.126,1265 138.49,1266 149.245,1267 151.245,1268 151.245,1269 35.098,1270 6.952,1271 93.61,1272 118.91,1273 17,1274 12.507,1275 4.087,1276 3.17,1277 34.427,1278 68,1279 62,1280 0.256,1281 162.9,1282 264.34,1283 389.236,1284 8445,1285 9.4,1286 16.016,1287 0.728,1288 0.651,1289 17.87,1290 14.33,1291 10.363,1292 0.432,1293 0.336,1294 6.197,1295 8.815,1296 5.851,1297 4.812,1298 11.637,1299 8.052,1300 10.145,1301 0.282,1302 0.19,1303 11.9,1304 6.842,1305 8.437,1306 0.176,1307 0.113,1308 10.594,1309 5.406,1310 7.127,1311 0.111,1312 0.059,1313 8.936,1314 3.749,1315 5.361,1316 0.069,1317 0.035,1318 7.303,1319 2.712,1320 0.391,1321 77.589,1322 0.257,1323 21.271,1324 0.736,1325 120,1326 375.718,1327 201.23,1328 483.609,1329 633.8,1330 446,1331 144,1332 390.909,1333 217.577,1334 443.074,1335 654.96,1336 416,1337 5.523}
{0 CHEMBL597771,1 1.799,2 9.48,3 2.651,4 7.028,5 99.79,6 8.215,7 0.593,8 3.913,9 4.028,10 3.593,11 3.386,12 5.119,13 3.381,14 4.393,15 4.556,16 3.988,17 3.745,18 5.545,19 3.726,20 4.442,21 4.552,22 4.123,23 3.908,24 5.633,25 3.863,26 4.61,27 4.748,28 4.154,29 3.951,30 5.813,31 3.892,32 4.771,33 4.979,34 3.965,35 3.945,36 5.808,37 3.842,38 4.672,39 4.894,40 3.694,41 3.879,42 5.575,43 3.704,44 4.559,45 4.811,46 3.598,47 3.654,48 5.51,49 3.555,50 4.427,51 4.652,52 3.521,53 3.496,54 5.488,55 3.462,56 0.128,57 0.681,58 8.903,59 3.802,60 12.644,61 4.455,62 0.47,63 1.003,64 18.896,65 6.566,66 33.413,67 7.575,68 0.433,69 1.165,70 19.677,71 7.356,72 20.496,73 7.951,74 0.461,75 1.29,76 24.445,77 8.713,78 29.833,79 10.021,80 0.755,81 1.324,82 30.151,83 8.428,84 56.149,85 10.385,86 0.49,87 1.183,88 33.163,89 10.741,90 31.696,91 13.203,92 0.432,93 1.001,94 27.836,95 8.178,96 34.254,97 10.824,98 0.522,99 0.869,100 19.053,101 5.472,102 35.513,103 7.545,104 46,105 39,106 0.313,107 0.645,108 0.724,109 0.751,110 0.762,111 0.795,112 3.268,113 0.91,114 -2.98,115 -2.98,116 -2.88,119 36.4,120 1,124 3,139 2,140 2,141 4,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 2,169 1,170 4,172 3,173 4,175 4,178 5,180 1,181 2,182 4,187 2,189 2,191 1,192 1,193 7,195 1,196 2,197 3,198 4,200 4,201 2,204 2,205 1,207 2,212 2,215 4,218 2,221 4,224 2,226 2,231 2,234 7,237 1,239 2,243 2,245 2,246 2,251 2,256 2,259 3,262 2,263 2,273 817,274 16.782,275 16.782,276 16.782,277 16.782,278 16.782,279 14.778,280 21.125,281 9.505,282 17.703,283 13.11,284 13.11,285 13.11,286 13.11,287 13.11,288 9.868,289 24.944,290 4.219,291 14.365,292 3.661,293 1.748,294 1.291,295 1.137,296 1.075,297 0.887,298 3.942,300 1,301 1,302 1,303 497,304 3,306 52.599,307 149.957,310 102.955,314 1.341,315 24.479,317 1,318 1,319 1,320 1,321 0.8,323 0.83,324 0.5,325 0.73,326 55.5,327 237,328 4.7,329 4.579,330 6.875,331 4.217,332 3.262,333 4.676,334 2.95,335 11.408,336 3.119,337 4.419,338 3.446,339 6.523,340 3.996,341 3.058,342 4.105,343 0.86,344 10.261,345 2.856,346 3.872,347 3.251,348 5.773,349 3.421,350 2.528,351 3.343,352 0.86,353 7.858,354 2.254,355 3.549,356 2.877,357 5.258,358 3.114,359 2.206,360 2.891,361 0.86,362 6.543,363 1.979,364 3.416,365 2.555,366 5.19,367 2.972,368 2.061,369 2.787,371 6.118,372 1.867,373 3.355,374 2.306,375 5.123,376 2.927,377 2.006,378 2.604,380 5.99,381 1.842,382 3.181,383 2.017,384 4.938,385 2.708,386 1.777,387 2.441,389 5.435,390 1.648,391 2.53,392 1.98,393 4.231,394 2.135,395 1.234,396 1.539,398 3.372,399 1.101,400 2.193,401 1.722,402 3.776,403 1.943,404 1.11,405 1.177,407 2.362,408 0.917,409 1.576,410 1.107,411 3.028,412 1.27,413 0.396,414 0.452,415 0.603,416 0.342,417 1.448,418 0.916,419 2.859,420 1.18,421 0.348,422 0.373,423 0.49,424 0.288,425 1.27,426 0.689,427 2.724,428 0.908,429 0.038,430 0.045,431 0.087,432 0.032,433 1.143,434 0.412,435 2.532,436 0.735,437 -0.183,438 -0.229,439 -0.466,440 -0.169,441 0.916,442 0.024,443 2.484,444 0.506,445 -0.395,446 -0.491,448 -0.87,449 -0.35,450 0.655,451 -0.066,452 2.3,453 0.307,454 -0.583,455 -0.672,457 -1.309,458 -0.512,459 11.833,460 0.473,461 0.695,462 0.028,463 34,464 1.36,465 17,466 0.68,467 17,468 0.68,469 20.14,470 0.806,471 27.767,472 0.631,473 25.311,474 1.012,475 6.94,476 0.278,477 5.037,478 0.201,479 0.237,481 0.423,485 1.056,486 1.291,487 0.76,488 0.992,489 1.22,490 0.893,491 1.232,492 0.698,493 0.704,494 0.635,495 0.797,496 0.554,497 0.975,498 1.324,499 1.223,500 1.237,501 0.901,502 0.997,503 0.787,504 1.377,505 1.174,506 1.537,507 0.639,508 1.301,509 1.524,510 0.862,511 1.215,512 0.909,513 1.556,514 1.05,515 0.692,516 1.181,517 1.444,518 1.509,519 0.651,520 1.288,521 0.776,522 1.033,523 0.995,524 1.098,525 0.73,526 0.912,527 1.282,528 0.91,529 0.77,530 0.72,531 1.097,532 0.881,533 6,534 0.138,535 2.889,536 3.167,537 1.854,538 1.021,539 0.456,540 0.456,541 0.344,542 0.246,543 6326,544 19937,545 1.992,546 43.2,547 3,548 11,551 5,555 1.683,556 1.807,557 3.215,558 2.686,559 1,560 1,564 79.14,565 1.799,566 3.712,567 4.169,568 4.322,569 4.385,570 4.573,571 2.615,572 3.783,573 4.619,574 3.352,575 1005.62,576 7.999,577 11967,579 1,581 1,582 240.215,583 1.554,584 4.541,585 0.222,586 0.01,587 0.074,588 0.074,589 0.045,590 0.033,591 0.018,592 0.017,593 0.014,594 0.012,595 0.519,596 0.17,597 1,598 1.047,599 119.184,600 -0.162,601 -0.083,602 0.045,603 0.012,604 -0.275,605 0.039,606 -0.052,607 0.358,608 0.276,609 0.398,610 0.134,611 0.403,612 0.022,613 -0.086,614 -0.069,615 0.005,616 -0.054,617 -0.028,618 0.147,619 -0.222,620 -0.085,621 -0.369,622 0.219,623 -0.32,624 -0.382,625 0.152,626 -0.191,627 0.075,628 -0.468,629 -0.116,630 0.061,631 -0.222,632 -0.203,633 -0.264,634 0.031,635 -0.19,636 0.062,637 -0.133,638 0.063,639 -0.068,640 0.128,641 0.129,642 -0.123,643 0.001,644 -0.02,645 0.043,646 -0.075,647 0.031,648 1.532,649 1.977,650 0.6,651 19.133,652 1.017,653 1.135,654 1.751,655 3.065,656 0.667,657 3.332,658 3.689,659 4.007,660 4.317,661 4.477,662 4.564,663 4.644,664 4.745,665 4.812,666 4.86,667 5.701,668 0.639,669 361.47,670 3.332,671 4.89,672 5.765,673 6.673,674 7.564,675 8.476,676 9.371,677 10.284,678 11.183,679 12.096,680 11.4,684 2,688 1,690 2,694 2,695 2,696 2,697 1,700 8,702 16,711 2,716 3,718 44,719 16,720 1,721 27,723 46,724 16,725 12,726 4,727 2,729 3,730 4,734 1,741 12,742 4,753 1,754 1,757 19,758 7,759 5,760 9,761 1,764 5,769 0.667,770 3,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 4,810 25,811 2,818 3,819 1,829 6.8,834 3,836 13.833,837 9.15,838 5.667,839 2.158,840 3.162,841 1.439,842 0.979,843 5.17,844 10.369,845 3.584,846 4.273,847 4.932,848 5.582,849 6.084,850 6.427,851 6.776,852 7.178,853 7.444,854 7.77,855 1,856 43,857 9.136,859 3.768,860 7.8,861 17.118,863 13.402,865 2.3,866 57.5,869 1,870 164.795,871 122.75,872 116.151,874 33,876 32.22,877 90.531,878 197.795,879 116.151,880 41.474,882 84.747,883 35.286,884 73.947,885 4.227,886 197.015,888 164.795,889 206.682,890 33,891 32.22,893 164.795,894 33,897 30.347,898 142.764,899 33.571,900 32.22,901 164.795,902 149.151,903 122.75,906 164.795,907 62.323,908 60.427,909 16.786,910 132.365,911 164.795,912 149.151,913 122.75,915 0.582,916 0.368,917 0.214,918 0.108,919 19,920 10,921 0.109,922 5,923 1,924 1.133,925 3.511,926 210.72,927 0.133,928 15,929 108.096,930 1,933 17.975,934 7.191,935 3.313,936 1.376,937 132.365,938 3.751,939 8.222,940 3.237,943 4.947,945 82.58,946 436.696,947 35,956 44.753,957 49.946,958 0.329,959 0.68,960 0.764,961 0.792,962 0.803,963 0.838,964 4.836,965 1.234,966 5.784,967 5.435,968 4.369,969 4.959,970 3.129,971 6.658,972 4.202,973 6.089,974 1.11,975 7.387,976 3.372,977 4.111,978 5.007,980 7.67,981 3.901,982 7.438,983 0.396,984 9.086,985 2.362,986 6.028,987 7.299,988 5.048,989 10.793,990 5.737,991 8.826,992 0.348,993 10.838,994 0.603,995 6.553,996 8.135,998 12.608,999 6.225,1000 10.242,1001 0.038,1002 12.625,1003 0.49,1004 7.98,1005 9.95,1006 7.187,1007 15.268,1008 7.593,1009 11.68,1010 -0.183,1011 14.437,1012 0.087,1013 8.862,1014 11.155,1016 17.431,1017 8.438,1018 13.136,1019 -0.395,1020 16.267,1021 -0.466,1022 10.112,1023 12.789,1024 9.348,1025 19.93,1026 9.639,1027 3.262,1028 -0.583,1029 18.112,1030 -0.87,1031 11.153,1032 14.168,1034 22.24,1035 10.64,1036 3.058,1037 11.408,1038 19.97,1039 -1.309,1040 12.34,1041 15.732,1042 11.511,1043 24.682,1044 11.783,1045 2.528,1046 10.261,1047 21.837,1048 4.676,1049 13.451,1050 17.192,1052 27.053,1053 12.852,1054 2.206,1055 7.858,1056 23.713,1057 4.105,1058 14.618,1059 18.73,1060 13.675,1061 29.476,1062 13.976,1063 2.061,1064 6.543,1065 25.595,1066 3.343,1067 15.759,1068 20.227,1070 31.873,1071 15.073,1072 2.006,1073 6.118,1074 27.484,1075 2.891,1076 16.922,1077 21.758,1078 15.838,1079 34.292,1080 16.193,1081 1.777,1082 5.99,1083 29.377,1084 2.787,1085 18.076,1086 23.273,1088 36.701,1089 17.304,1090 6329,1091 11363,1092 17.224,1093 29.37,1094 39.961,1095 43.742,1096 43.654,1097 39.892,1098 40.05,1099 52.867,1100 11.06,1101 121.054,1102 36.487,1103 5.484,1104 6.579,1105 6.418,1106 5.377,1107 5.262,1108 7.676,1109 5.9,1110 18.558,1111 5.119,1112 15.499,1113 1.48,1114 1.62,1115 1.617,1116 1.477,1117 1.483,1118 1.958,1119 0.41,1120 4.483,1121 1.351,1122 4.112,1123 4.151,1124 4.189,1125 4.008,1126 5.319,1127 4.01,1128 3.906,1129 3.91,1130 3.919,1131 3.814,1132 4.982,1133 3.821,1134 3.448,1135 3.523,1136 3.558,1137 3.255,1138 4.969,1139 3.259,1140 3.303,1141 3.355,1142 3.199,1143 3.024,1144 4.743,1145 3.026,1146 3.245,1147 3.309,1148 3.144,1149 3.006,1150 4.58,1151 3.012,1152 3.186,1153 3.265,1154 3.002,1155 2.898,1156 4.462,1157 2.894,1158 3.121,1159 3.232,1160 2.973,1161 2.831,1162 4.19,1163 2.847,1164 3.013,1165 3.142,1166 2.778,1167 2.703,1168 4.069,1169 2.714,1170 0.174,1171 0.17,1172 0.255,1173 0.156,1174 0.121,1175 4.7,1176 0.173,1177 4.579,1178 0.109,1179 6.875,1180 0.423,1181 4.217,1182 0.116,1183 3.262,1184 4.676,1185 2.95,1186 11.408,1187 3.119,1188 1.866,1189 1.863,1190 1.913,1191 2.01,1192 1.086,1193 1.972,1194 1.825,1195 1.789,1196 1.885,1197 1.972,1198 1.012,1199 1.96,1200 1.534,1201 1.487,1202 1.68,1203 1.72,1204 0.716,1205 1.726,1206 1.227,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.194,1213 1.127,1214 1.571,1215 1.512,1216 0.574,1217 1.532,1218 1.153,1219 1.067,1220 1.529,1221 1.44,1222 0.561,1223 1.476,1224 1.069,1225 0.97,1226 1.306,1227 1.407,1228 0.329,1229 1.398,1230 0.945,1231 0.825,1232 1.262,1233 1.35,1234 0.09,1235 1.342,1236 4.007,1238 5.352,1239 2.398,1240 6.899,1241 4.844,1242 8.543,1243 7.034,1244 10.238,1246 6.688,1250 11.645,1254 16.136,1255 1.498,1262 28.126,1263 79.14,1264 163.321,1265 183.421,1266 190.176,1267 192.931,1268 201.195,1269 37.775,1270 7.206,1271 121.3,1272 146.6,1273 17,1274 12.612,1275 4.087,1276 3.17,1277 41.691,1278 87,1279 74,1280 0.243,1281 178.667,1282 296.98,1283 427.708,1284 11598,1286 18.137,1287 0.725,1288 0.606,1289 18.491,1290 15.153,1291 11.977,1292 0.444,1293 0.303,1294 7.252,1295 10.805,1296 6.878,1297 5.791,1298 12.385,1299 8.188,1300 10.728,1301 0.275,1302 0.162,1303 11.397,1304 6.317,1305 9.276,1306 0.172,1307 0.09,1308 10.03,1309 4.844,1310 8.369,1311 0.113,1312 0.048,1313 9.235,1314 3.577,1315 6.167,1316 0.071,1317 0.029,1318 7.195,1319 2.502,1320 0.375,1321 81.093,1322 0.241,1323 23.841,1324 0.689,1325 132,1326 440.315,1327 175.307,1328 436.21,1329 600.76,1330 410,1331 159,1332 431.957,1333 198.23,1334 455.041,1335 667.16,1336 422,1337 4.609}
{0 CHEMBL597784,1 1.606,2 11.037,3 2.07,4 4.283,5 106.16,6 8.169,7 0.71,8 3.938,9 4.052,10 3.58,11 3.494,12 5.141,13 3.505,14 4.419,15 4.55,16 3.988,17 3.923,18 5.623,19 3.914,20 4.637,21 4.805,22 4.038,23 4.031,24 5.761,25 4.002,26 4.736,27 4.92,28 3.974,29 4.005,30 5.916,31 3.945,32 4.706,33 4.937,34 3.669,35 3.848,36 5.793,37 3.755,38 4.521,39 4.775,40 3.472,41 3.694,42 5.449,43 3.583,44 4.327,45 4.556,46 3.458,47 3.533,48 5.359,49 3.467,50 4.226,51 4.443,52 3.445,53 3.486,54 5.301,55 3.442,56 0.106,57 0.691,58 7.851,59 3.504,60 17.407,61 4.027,62 0.26,63 1.096,64 13.582,65 6.347,66 25.997,67 7.608,68 0.191,69 1.315,70 18.348,71 7.75,72 23.557,73 9.758,74 0.465,75 1.369,76 22.006,77 8.876,78 49.575,79 11.35,80 0.557,81 1.285,82 24.364,83 8.243,84 61.03,85 10.573,86 0.294,87 1.044,88 21.098,89 7.658,90 40.247,91 10.545,92 0.269,93 0.883,94 16.601,95 5.959,96 32.295,97 7.892,98 0.222,99 0.832,100 14.108,101 4.865,102 26.511,103 6.348,104 10,105 46,106 0.273,107 0.655,108 0.783,109 0.882,110 0.905,111 0.905,112 3.34,113 0.828,114 -4.17,115 -4.12,116 -3.89,119 45.5,125 1,127 1,139 7,140 6,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 12,169 2,170 4,172 3,173 3,175 6,178 15,180 1,182 2,187 8,189 14,191 1,192 1,195 3,196 4,197 1,198 5,200 2,201 11,204 1,205 1,210 2,211 2,212 5,214 1,215 9,218 1,221 2,226 2,229 4,234 6,238 1,239 5,240 1,241 3,243 2,246 5,251 3,254 4,256 2,260 4,263 1,265 3,268 4,270 3,273 988,274 18.447,275 18.447,276 18.447,277 18.447,278 18.447,279 15.857,280 23.357,281 10.575,282 18.709,283 15.304,284 15.304,285 15.304,286 15.304,287 15.304,288 11.311,289 36.064,290 5.01,291 15.756,292 3.853,293 1.608,294 0.856,295 0.273,296 0.136,297 0.136,298 4.053,300 1,301 1,302 1,303 676,304 2.739,306 95.965,307 181.053,310 267.566,314 1.523,315 26.146,317 1,318 0.75,319 0.83,320 0.83,321 0.5,323 0.83,324 1,325 0.68,326 58.5,327 298,328 4.642,329 3.622,330 7.012,331 4.325,332 3.334,333 4.608,334 1.474,335 11.953,336 3.304,337 4.634,338 3.27,339 6.78,340 4.164,341 3.188,342 4.301,343 0.657,344 11.107,345 3.116,346 3.915,347 2.7,348 5.776,349 3.508,350 2.533,351 3.482,353 7.798,354 2.473,355 3.706,356 2.473,357 5.587,358 3.262,359 2.324,360 3.154,362 6.844,363 2.177,364 3.422,365 2.398,366 5.332,367 3.077,368 2.104,369 2.792,371 6.736,372 2.043,373 3.398,374 2.171,375 5.188,376 3.015,377 2.036,378 2.734,380 6.274,381 1.987,382 3.318,383 2.066,384 5.063,385 2.922,386 1.979,387 2.495,389 5.79,390 1.865,391 3.047,392 1.9,393 4.753,394 2.671,395 1.708,396 2.222,398 4.953,399 1.638,400 2.827,401 1.418,402 3.888,403 2.367,404 1.368,405 1.974,407 3.1,408 1.366,409 2.59,410 1.143,411 3.66,412 2.108,413 1.112,414 1.633,415 2.749,416 1.107,417 2.305,418 0.963,419 3.589,420 1.839,421 0.86,422 1.222,423 2.121,424 0.84,425 2.105,426 0.922,427 3.456,428 1.721,429 0.758,430 0.993,431 1.841,432 0.724,433 1.821,434 0.771,435 3.266,436 1.545,437 0.6,438 0.712,439 1.518,440 0.565,441 1.149,442 0.073,443 2.706,444 0.789,445 -0.159,446 -0.196,448 -0.418,449 -0.15,450 1.026,451 -0.131,452 2.623,453 0.607,454 -0.329,455 -0.423,457 -0.849,458 -0.307,459 12.667,460 0.469,461 0.73,462 0.027,463 39.75,464 1.472,465 21.5,466 0.796,467 18.25,468 0.676,469 18.495,470 0.685,471 27.533,472 0.626,473 28.804,474 1.067,475 7.883,476 0.292,477 5.231,478 0.194,479 0.089,481 0.434,485 1.078,486 1.017,487 0.761,488 0.796,489 1.187,490 0.722,491 0.752,492 0.856,493 0.751,494 0.9,495 0.672,496 0.848,497 0.881,498 1.18,499 0.901,500 1.116,501 0.817,502 1.024,503 0.848,504 1.13,505 1.063,506 1.234,507 0.859,508 1.213,509 1.269,510 0.813,511 1.289,512 0.991,513 1.281,514 1.12,515 0.825,516 0.902,517 0.968,518 0.975,519 0.9,520 0.995,521 1.027,522 0.958,523 0.932,524 0.937,525 0.895,526 0.928,527 1.109,528 0.934,529 0.999,530 0.896,531 0.984,532 0.903,533 5,534 0.178,535 3.333,536 3.146,537 1.435,538 0.806,539 0.455,540 0.221,541 0.276,542 0.253,543 9816,544 26735,545 2.184,546 38.6,548 10,549 1,551 6,555 1.697,556 2.051,557 3.407,558 3.374,559 1,560 1,564 70.68,565 1.606,566 3.851,567 4.604,568 5.187,569 5.323,570 5.323,571 2.852,572 4.607,573 4.732,574 3.569,575 1252.58,576 8.187,577 15981.2,579 1,581 1,582 240.215,583 1.388,584 4.691,585 0.161,586 0.008,587 0.072,588 0.067,589 0.035,590 0.028,591 0.018,592 0.009,593 0.011,594 0.01,595 0.419,596 0.33,597 0.88,598 0.528,599 133.869,600 -0.199,601 0.108,602 -0.002,603 0.155,604 -0.289,605 0.129,606 0.122,607 0.214,608 0.053,609 0.079,610 0.081,611 0.05,612 -0.071,613 -0.154,614 -0.034,615 -0.137,616 -0.034,617 -0.084,618 0.172,619 -0.161,620 -0.121,621 -0.249,622 0.131,623 -0.252,624 -0.138,625 0.143,626 -0.251,627 -0.025,628 -0.173,629 -0.138,630 -0.028,631 -0.014,632 0.082,633 0.053,634 -0.054,635 0.083,636 -0.05,637 -0.032,638 0.096,639 0.063,640 0.006,641 0.094,642 -0.163,643 0.072,644 -0.019,645 0.062,646 -0.111,647 0.064,648 1.945,649 4.626,650 0.815,651 21.665,652 1.011,653 1.123,654 2.944,655 8.67,656 0.693,657 3.466,658 3.85,659 4.205,660 4.554,661 4.771,662 4.868,663 4.997,664 5.13,665 5.147,666 5.257,667 6.489,668 0.675,669 359.42,670 3.466,671 5.043,672 5.938,673 6.855,674 7.763,675 8.685,676 9.598,677 10.521,678 11.436,679 12.359,680 11.4,684 2,685 1,690 2,694 2,695 8,696 2,698 1,700 8,702 22,711 2,712 1,718 44,719 22,720 2,721 31,723 48,724 20,725 18,726 5,727 7,729 5,730 9,736 1,739 1,741 18,742 2,753 1,754 1,756 1,757 17,758 7,759 6,760 7,764 5,769 0.4,770 2,772 1,776 1,780 2,781 3,784 3,800 1,802 2,810 27,811 2,815 1,816 1,817 1,820 1,829 4.5,830 1,834 1,836 13.167,837 7.683,838 5.722,839 2.413,840 4.412,841 1.536,842 1.043,843 3.652,844 12.649,845 3.761,846 4.457,847 5.138,848 5.805,849 6.342,850 6.673,851 7.076,852 7.472,853 7.659,854 7.972,855 1,856 47,857 9.943,859 4.433,860 7.778,861 18.815,863 16.123,865 2.278,866 61.5,870 129.482,871 110.071,872 117.376,874 52.191,877 110.071,878 181.673,879 117.376,881 2.106,882 186.551,883 55.989,884 30.765,885 15.998,886 117.711,888 129.482,889 227.447,890 52.191,893 129.482,894 9.507,895 42.683,897 8.412,898 167.453,899 51.582,901 129.482,902 169.567,903 110.071,906 129.482,907 31.998,908 78.073,909 18.011,910 151.556,911 129.482,912 169.567,913 110.071,915 0.596,916 0.364,917 0.214,918 0.113,919 26,920 11,921 0.063,922 3,923 3,924 1.273,925 3.929,926 247.017,927 0.273,928 22,929 128.382,933 16.266,934 6.062,935 2.577,936 1.03,937 169.567,938 15.502,939 8.045,941 5.441,943 6.086,945 126.488,946 409.12,947 42,956 44.465,957 49.402,958 0.294,959 0.705,960 0.843,961 0.95,962 0.975,963 0.975,964 5.021,965 1.708,966 5.948,967 5.79,968 4.533,969 5.145,970 1.635,971 6.832,972 4.479,973 6.264,974 1.368,975 7.549,976 4.953,977 4.205,978 5.047,979 1.22,980 7.854,981 4.124,982 7.601,983 1.112,984 9.251,985 3.1,986 6.192,987 7.449,988 1.902,989 11.017,990 6.1,991 8.978,992 0.86,993 11.012,994 2.749,995 6.698,996 8.193,997 2.014,998 12.903,999 6.592,1000 10.388,1001 0.758,1002 12.813,1003 2.121,1004 8.171,1005 10.067,1006 2.464,1007 15.593,1008 8.054,1009 11.823,1010 0.6,1011 14.641,1012 1.841,1013 9.062,1014 11.214,1015 2.762,1016 17.833,1017 8.937,1018 13.279,1019 -0.159,1020 16.491,1021 1.518,1022 10.345,1023 12.872,1024 3.158,1025 20.369,1026 10.208,1027 3.334,1028 -0.329,1029 18.358,1030 -0.418,1031 11.409,1032 14.214,1033 3.515,1034 22.747,1035 11.264,1036 3.188,1037 11.953,1038 20.238,1039 -0.849,1040 12.624,1041 15.782,1042 3.901,1043 25.231,1044 12.469,1045 2.533,1046 11.107,1047 22.128,1048 4.608,1049 13.761,1050 17.214,1051 4.278,1052 27.661,1053 13.596,1054 2.324,1055 7.798,1056 24.027,1057 4.301,1058 14.955,1059 18.745,1060 4.663,1061 30.13,1062 14.779,1063 2.104,1064 6.844,1065 25.934,1066 3.482,1067 16.121,1068 20.219,1069 5.047,1070 32.579,1071 15.936,1072 2.036,1073 6.736,1074 27.846,1075 3.154,1076 17.31,1077 21.737,1078 5.433,1079 35.044,1080 17.114,1081 1.979,1082 6.274,1083 29.762,1084 2.792,1085 18.489,1086 23.231,1087 5.819,1088 37.502,1089 18.283,1090 8952,1091 14906,1092 21.096,1093 30.506,1094 48.233,1095 47.861,1096 49.54,1097 47.887,1098 47.807,1099 64.644,1100 4.262,1101 145.567,1102 46.412,1103 5.491,1104 5.622,1105 6.691,1106 5.397,1107 5.334,1108 7.608,1109 2.267,1110 19.164,1111 5.304,1112 11.619,1113 1.556,1114 1.544,1115 1.598,1116 1.545,1117 1.542,1118 2.085,1119 0.137,1120 4.696,1121 1.497,1122 4.119,1123 4.14,1124 4.088,1125 4.057,1126 6.451,1127 4.057,1128 4.054,1129 4.072,1130 4.028,1131 3.921,1132 5.363,1133 3.949,1134 3.717,1135 3.756,1136 3.647,1137 3.642,1138 4.985,1139 3.638,1140 3.443,1141 3.513,1142 3.37,1143 3.222,1144 4.948,1145 3.249,1146 3.251,1147 3.296,1148 3.155,1149 3.075,1150 4.824,1151 3.085,1152 3.116,1153 3.197,1154 3.005,1155 2.901,1156 4.572,1157 2.913,1158 3.07,1159 3.168,1160 2.939,1161 2.732,1162 4.148,1163 2.78,1164 2.859,1165 2.919,1166 2.721,1167 2.698,1168 4.049,1169 2.697,1170 0.15,1171 0.117,1172 0.226,1173 0.14,1174 0.108,1175 4.642,1176 0.149,1177 3.622,1178 0.048,1179 7.012,1180 0.386,1181 4.325,1182 0.107,1183 3.334,1184 4.608,1185 1.474,1186 11.953,1187 3.304,1188 1.936,1189 1.915,1190 2.024,1191 2.021,1192 1.175,1193 2.017,1194 1.856,1195 1.829,1196 1.96,1197 1.98,1198 1.118,1199 1.964,1200 1.804,1201 1.775,1202 1.858,1203 1.933,1204 1.044,1205 1.927,1206 1.476,1207 1.44,1208 1.624,1209 1.705,1210 0.645,1211 1.687,1212 1.186,1213 1.151,1214 1.384,1215 1.424,1216 0.516,1217 1.402,1218 1.045,1219 0.995,1220 1.275,1221 1.356,1222 0.282,1223 1.341,1224 0.957,1225 0.882,1226 1.219,1227 1.341,1228 0.172,1229 1.311,1230 0.886,1231 0.801,1232 1.14,1233 1.134,1234 0.105,1235 1.14,1236 4.143,1238 5.509,1239 3.045,1240 7.072,1241 5.533,1242 8.728,1243 7.743,1244 10.434,1250 11.559,1251 10.626,1252 0.478,1253 3.345,1256 -0.611,1262 29.697,1263 70.68,1264 169.444,1265 202.564,1266 228.215,1267 234.215,1268 234.215,1269 38.001,1270 8.237,1271 123.22,1272 123.22,1273 28,1274 12.867,1275 4.524,1276 3.585,1277 35.984,1278 108,1279 96,1280 0.165,1281 178.34,1282 295.34,1283 426.91,1284 47546,1286 18.543,1287 0.687,1288 0.53,1289 18.543,1290 14.308,1291 13.114,1292 0.423,1293 0.276,1294 8.441,1295 12.659,1296 8.302,1297 6.825,1298 13.114,1299 8.558,1300 12.284,1301 0.267,1302 0.142,1303 12.284,1304 6.554,1305 10.918,1306 0.165,1307 0.075,1308 10.918,1309 4.93,1310 10.002,1311 0.106,1312 0.039,1313 10.002,1314 3.667,1315 7.976,1316 0.068,1317 0.021,1318 7.976,1319 2.459,1320 0.261,1321 82.019,1322 0.218,1323 25.876,1324 0.447,1325 154,1326 422.133,1327 167.861,1328 415.644,1329 585.44,1330 390,1331 189,1332 450.65,1333 202.806,1334 458.335,1335 682.04,1336 433,1337 4.886}
{0 CHEMBL597885,1 1.798,2 9.286,3 2.694,4 7.257,5 84.618,6 8.64,7 0.696,8 3.694,9 3.801,10 3.431,11 3.243,12 4.918,13 3.227,14 4.149,15 4.29,16 3.851,17 3.601,18 5.366,19 3.568,20 4.23,21 4.358,22 3.889,23 3.708,24 5.389,25 3.641,26 4.317,27 4.459,28 3.762,29 3.658,30 5.544,31 3.564,32 4.316,33 4.531,34 3.572,35 3.526,36 5.372,37 3.426,38 4.145,39 4.375,40 3.335,41 3.426,42 5.064,43 3.286,44 3.971,45 4.167,46 3.155,47 3.261,48 5.061,49 3.146,50 3.926,51 4.175,52 3.021,53 3.018,54 5,55 2.966,56 0.093,57 0.55,58 6.321,59 3.062,60 10.9,61 3.306,62 0.311,63 0.819,64 13.385,65 5.522,66 24.394,67 6.002,68 0.213,69 0.927,70 15.125,71 6.115,72 15.647,73 6.158,74 0.402,75 0.952,76 19.623,77 7.031,78 32.154,79 7.38,80 0.424,81 0.897,82 18.722,83 5.582,84 37.216,85 6.542,86 0.205,87 0.744,88 17.172,89 6.185,90 17.365,91 7.803,92 0.25,93 0.666,94 15.303,95 4.961,96 18.997,97 5.749,98 0.186,99 0.576,100 11.281,101 3.682,102 20.104,103 5.045,104 18,105 33,106 0.327,107 0.708,108 0.78,109 0.822,110 0.822,111 0.822,112 3.103,113 0.918,114 -3.98,115 -3.93,116 -3.73,119 40,120 1,124 1,139 4,140 2,141 2,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 4,169 2,170 7,172 3,173 3,175 1,178 6,180 1,182 5,187 1,189 6,191 1,192 1,193 5,195 3,196 3,197 1,198 2,200 2,201 2,204 2,205 1,207 4,212 2,215 6,218 2,221 2,226 2,229 4,231 2,233 1,234 5,239 2,243 2,246 4,251 4,256 4,259 1,265 2,270 2,273 542,274 14.041,275 14.041,276 14.041,277 14.041,278 14.041,279 12.038,280 15.287,281 8.065,282 14.574,283 11.272,284 11.272,285 11.272,286 11.272,287 11.272,288 8.231,289 17.011,290 3.766,291 12.088,292 3.332,293 1.243,294 0.843,295 0.615,296 0.615,297 0.615,298 3.78,300 1,301 1,302 1,303 417,304 2.449,306 42.187,307 119.397,310 82.23,314 1.374,315 18.779,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 46,327 195,328 4.7,329 4.576,330 6.875,331 4.229,332 3.26,333 4.676,334 2.95,335 11.406,336 3.159,337 4.056,338 3.371,339 5.787,340 3.608,341 2.68,342 3.65,343 0.86,344 7.957,345 2.487,346 3.831,347 2.936,348 5.435,349 3.382,350 2.459,351 3.316,353 7.088,354 2.255,355 3.496,356 2.759,357 5.162,358 3.07,359 2.165,360 2.837,362 6.274,363 1.944,364 3.406,365 2.306,366 5.078,367 2.94,368 2.003,369 2.746,371 5.95,372 1.868,373 3.179,374 2.006,375 4.923,376 2.721,377 1.777,378 2.437,380 5.404,381 1.669,382 2.529,383 1.728,384 4.217,385 2.15,386 1.209,387 1.537,389 3.346,390 1.125,391 2.5,392 1.295,393 3.414,394 2,395 1,396 1.5,398 2.275,399 1,400 1.747,401 1,402 3.104,403 1.439,404 0.583,405 0.655,407 1.009,408 0.493,409 1.274,410 0.688,411 2.729,412 0.92,413 0.038,414 0.045,415 0.085,416 0.032,417 1.143,418 0.408,419 2.674,420 0.744,421 -0.183,422 -0.23,423 -0.467,424 -0.17,425 0.914,426 0.016,427 2.485,428 0.502,429 -0.413,430 -0.524,431 -0.983,432 -0.373,433 0.632,434 -0.305,435 2.228,436 0.291,437 -0.621,438 -0.724,439 -1.402,440 -0.557,441 0.5,442 -0.503,443 2,445 -0.963,446 -1.173,448 -2.452,449 -0.877,450 0.284,451 -0.623,452 1.732,453 -0.044,454 -1,455 -1.5,457 -3,458 -1,459 10.1,460 0.481,461 0.592,462 0.028,463 30,464 1.429,465 16,466 0.762,467 14,468 0.667,469 14.44,470 0.688,471 22.3,472 0.637,473 19.726,474 0.939,475 5.973,476 0.284,477 4.106,478 0.196,479 0.178,481 0.396,485 1.041,486 1.104,487 0.731,488 0.856,489 1.278,490 0.793,491 0.886,492 0.711,493 0.665,494 0.78,495 0.57,496 0.667,497 1.185,498 1.198,499 1.192,500 1.151,501 0.98,502 0.971,503 1.018,504 1.272,505 1.5,506 1.516,507 0.746,508 1.315,509 1.36,510 0.855,511 1.067,512 0.895,513 1.509,514 0.997,515 0.575,516 1.041,517 0.937,518 1.099,519 0.53,520 1.03,521 0.624,522 1.29,523 1.506,524 1.476,525 0.886,526 1.268,527 0.91,528 1.082,529 0.604,530 0.807,531 0.936,532 0.912,533 5,534 0.065,535 2.222,536 2.167,537 1.312,538 0.73,539 0.375,540 0.249,541 0.196,542 0.117,543 4242,544 13175,545 2.045,546 40,547 3,548 7,551 4,555 1.63,556 1.881,557 3.163,558 1.968,560 1,562 1,564 62.919,565 1.798,566 3.886,567 4.286,568 4.515,569 4.515,570 4.515,571 2.661,572 4.202,573 4.361,574 3.289,575 690.645,576 7.465,577 7196.71,578 1,579 1,580 1,581 1,582 179.525,583 1.51,584 4.305,585 0.217,586 0.011,587 0.067,588 0.066,589 0.047,590 0.035,591 0.02,592 0.015,593 0.013,594 0.012,595 0.502,596 0.33,597 1,598 0.874,599 94.475,600 -0.167,601 0.021,602 0.038,603 0.075,604 -0.336,605 0.074,606 0.187,607 0.331,608 0.279,609 0.234,610 0.275,611 0.265,612 -0.212,613 -0.082,614 -0.071,615 -0.007,616 -0.154,617 -0.041,618 0.091,619 -0.222,620 -0.304,621 -0.344,622 0.222,623 -0.359,624 -0.284,625 0.131,626 -0.08,627 0.053,628 -0.416,629 -0.052,630 0.077,631 -0.155,632 0.096,633 -0.04,634 0.146,635 0.058,636 0.107,637 -0.263,638 -0.36,639 -0.358,640 -0.006,641 -0.258,642 -0.028,643 -0.19,644 0.128,645 -0.053,646 0.078,647 0.052,648 1.56,649 2.242,650 0.714,651 15.497,652 1.016,653 1.126,654 2.753,655 7.577,656 0.697,657 3.178,658 3.526,659 3.807,660 4.094,661 4.277,662 4.357,663 4.407,664 4.5,665 4.489,666 4.466,667 5.318,668 0.667,669 302.39,670 3.178,671 4.727,672 5.587,673 6.482,674 7.359,675 8.261,676 9.147,677 10.052,678 10.944,679 11.852,680 11.4,684 2,690 2,694 2,695 4,696 2,698 1,700 6,702 16,711 2,716 1,718 35,719 16,720 1,721 23,723 37,724 14,725 12,726 2,727 4,729 3,730 4,734 1,741 12,742 2,753 1,754 1,756 1,757 14,758 6,759 4,760 7,761 1,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,803 1,804 1,806 2,810 21,811 2,818 1,819 1,829 5.7,834 2,836 11.167,837 6.9,838 4.611,839 1.797,840 3.116,841 1.455,842 1.006,843 3.758,844 9.968,845 3.466,846 4.155,847 4.793,848 5.439,849 5.962,850 6.277,851 6.634,852 7.045,853 7.238,854 7.504,855 1,856 33,857 7.672,859 3.212,860 7.794,861 14.402,863 11.466,865 2.294,866 48.167,870 117.711,871 114.834,872 99.365,874 20.507,876 32.22,877 82.614,878 138.218,879 99.365,880 19.708,882 103.699,883 37.978,884 36.874,885 4.227,886 149.931,888 117.711,889 181.98,890 20.507,891 32.22,893 117.711,894 20.507,897 18.946,898 129.463,899 33.571,900 32.22,901 117.711,902 119.873,903 114.834,906 117.711,907 57.221,908 57.613,910 119.873,911 117.711,912 119.873,913 114.834,915 0.588,916 0.35,917 0.19,918 0.1,919 17,920 8,921 0.081,922 3,923 1,924 1.133,925 3.299,926 162.738,927 0.133,928 15,929 88.239,930 1,933 14.195,934 5.559,935 2.699,936 1.119,937 119.873,938 7.706,939 8.038,941 5.742,943 3.904,945 65.794,946 352.418,947 31,956 35.556,957 39.408,958 0.35,959 0.758,960 0.836,961 0.88,962 0.88,963 0.88,964 4.7,965 1,966 5.595,967 3.346,968 4.205,969 4.84,970 2.99,971 6.431,972 4.077,973 5.948,974 0.583,975 7.172,976 2.275,977 3.892,978 4.808,980 7.368,981 3.71,982 7.283,983 0.038,984 8.846,985 1.009,986 5.826,987 7.161,988 5.034,989 10.485,990 5.597,991 8.656,992 -0.183,993 10.574,994 0.085,995 6.293,996 7.935,998 12.266,999 6.029,1000 10.058,1001 -0.413,1002 12.34,1003 -0.467,1004 7.738,1005 9.793,1006 7.185,1007 14.931,1008 7.439,1009 11.484,1010 -0.621,1011 14.133,1012 -0.983,1013 8.577,1014 10.965,1016 17.097,1017 8.257,1018 12.928,1019 -0.963,1020 15.948,1021 -1.402,1022 9.836,1023 12.625,1024 9.348,1025 19.61,1026 9.489,1027 3.26,1028 -1,1029 17.782,1030 -2.452,1031 10.854,1032 13.994,1034 21.938,1035 10.489,1036 2.68,1037 11.406,1038 19.632,1039 -3,1040 12.047,1041 15.576,1042 11.511,1043 24.399,1044 11.658,1045 2.459,1046 7.957,1047 21.496,1048 4.676,1049 13.149,1050 17.038,1052 26.792,1053 12.739,1054 2.165,1055 7.088,1056 23.371,1057 3.65,1058 14.323,1059 18.591,1060 13.675,1061 29.234,1062 13.889,1063 2.003,1064 6.274,1065 25.255,1066 3.316,1067 15.464,1068 20.096,1070 31.652,1071 15.007,1072 1.777,1073 5.95,1074 27.148,1075 2.837,1076 16.634,1077 21.639,1078 15.838,1079 34.089,1080 16.153,1081 1.209,1082 5.404,1083 29.047,1084 2.746,1085 17.794,1086 23.163,1088 36.517,1089 17.287,1090 4187,1091 7511,1092 15.027,1093 24.387,1094 34.624,1095 37.443,1096 36.339,1097 34.333,1098 34.347,1099 46.795,1100 7.62,1101 101.589,1102 32.066,1103 5.473,1104 6.576,1105 6.428,1106 5.368,1107 5.26,1108 7.676,1109 5.9,1110 18.553,1111 5.159,1112 11.224,1113 1.505,1114 1.628,1115 1.58,1116 1.493,1117 1.493,1118 2.035,1119 0.331,1120 4.417,1121 1.394,1122 4.087,1123 4.102,1124 4.173,1125 3.975,1126 5.355,1127 3.98,1128 3.876,1129 3.896,1130 3.888,1131 3.807,1132 4.983,1133 3.804,1134 3.433,1135 3.497,1136 3.519,1137 3.243,1138 4.929,1139 3.246,1140 3.245,1141 3.309,1142 3.181,1143 3.008,1144 4.848,1145 2.998,1146 3.088,1147 3.195,1148 2.978,1149 2.807,1150 4.356,1151 2.803,1152 2.996,1153 3.094,1154 2.864,1155 2.735,1156 4.126,1157 2.715,1158 2.854,1159 2.925,1160 2.759,1161 2.701,1162 3.929,1163 2.706,1164 2.769,1165 2.814,1166 2.687,1167 2.643,1168 3.674,1169 2.628,1170 0.204,1171 0.199,1172 0.299,1173 0.184,1174 0.142,1175 4.7,1176 0.203,1177 4.576,1178 0.128,1179 6.875,1180 0.496,1181 4.229,1182 0.137,1183 3.26,1184 4.676,1185 2.95,1186 11.406,1187 3.159,1188 1.875,1189 1.861,1190 1.958,1191 1.997,1192 1.082,1193 1.968,1194 1.816,1195 1.784,1196 1.881,1197 1.953,1198 1.009,1199 1.955,1200 1.459,1201 1.437,1202 1.625,1203 1.663,1204 0.598,1205 1.665,1206 1.193,1207 1.124,1208 1.565,1209 1.499,1210 0.572,1211 1.523,1212 0.967,1213 0.921,1214 1.266,1215 1.352,1216 0.224,1217 1.342,1218 0.944,1219 0.825,1220 1.181,1221 1.317,1222 0.218,1223 1.269,1224 0.886,1225 0.821,1226 1.101,1227 1.062,1229 1.107,1230 0.762,1231 0.705,1232 0.965,1233 0.974,1235 1.016,1236 3.85,1238 5.187,1239 2.398,1240 6.718,1241 4.844,1242 8.338,1243 7.034,1244 10.006,1246 3.561,1250 11.471,1254 5.139,1255 1.487,1262 23.336,1263 62.919,1264 136.015,1265 150.015,1266 158.015,1267 158.015,1268 158.015,1269 26.551,1270 6.852,1271 100.19,1272 125.49,1273 17,1274 12.372,1275 4.087,1276 3.17,1277 32.277,1278 66,1279 77,1280 0.245,1281 148.692,1282 242.59,1283 354.568,1284 7590,1286 14.983,1287 0.713,1288 0.59,1289 15.336,1290 12.4,1291 10.08,1292 0.438,1293 0.306,1294 6.175,1295 9.164,1296 5.898,1297 4.934,1298 10.488,1299 7.039,1300 9.277,1301 0.281,1302 0.166,1303 9.946,1304 5.486,1305 7.817,1306 0.178,1307 0.094,1308 8.608,1309 4.144,1310 6.76,1311 0.115,1312 0.049,1313 7.551,1314 2.877,1315 5.001,1316 0.07,1317 0.028,1318 5.926,1319 1.98,1320 0.378,1321 67.886,1322 0.258,1323 20.7,1324 0.686,1325 112,1326 358.246,1327 152.313,1328 364.952,1329 506.28,1330 342,1331 133,1332 369.885,1333 167.684,1334 389.37,1335 572.12,1336 364,1337 4.208}
{0 CHEMBL597961,1 1.481,2 13.964,3 4.425,4 19.582,5 113.437,6 7.324,7 0.71,8 4.032,9 4.163,10 3.584,11 3.582,12 5.152,13 3.562,14 4.523,15 4.689,16 3.918,17 3.965,18 5.612,19 3.913,20 4.752,21 4.962,22 3.908,23 4.053,24 5.72,25 3.97,26 4.799,27 5.031,28 3.804,29 4.004,30 5.771,31 3.889,32 4.787,33 5.057,34 3.584,35 3.926,36 5.673,37 3.789,38 4.672,39 4.946,40 3.521,41 3.857,42 5.49,43 3.716,44 4.505,45 4.741,46 3.516,47 3.79,48 5.426,49 3.673,50 4.499,51 4.753,52 3.459,53 3.714,54 5.397,55 3.59,56 0.057,57 0.773,58 10.655,59 4.302,60 11.666,61 5.81,62 0.214,63 1.2,64 18.608,65 7.785,66 25.65,67 10.395,68 0.168,69 1.409,70 24.869,71 9.332,72 26.047,73 13.075,74 0.314,75 1.431,76 27.041,77 10.11,78 40.512,79 14.138,80 0.327,81 1.381,82 27.909,83 8.979,84 43.698,85 13.229,86 0.241,87 1.192,88 24.977,89 9.083,90 31.47,91 13.132,92 0.168,93 1.071,94 19.948,95 7.544,96 26.067,97 10.72,98 0.152,99 1.039,100 20.326,101 7.515,102 25.36,103 10.861,104 5,105 42,106 0.246,107 0.59,108 0.729,109 0.816,110 0.851,111 0.851,112 3.373,113 0.903,114 -5.38,115 -5.26,116 -4.91,119 43.1,121 3,125 1,139 9,140 4,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 15,169 1,170 5,172 3,173 4,175 3,178 16,180 1,182 6,187 2,189 12,191 1,193 5,195 1,196 2,197 3,198 3,200 4,201 8,204 2,205 1,207 4,212 3,215 11,218 2,221 3,226 3,229 13,231 2,234 3,239 4,241 11,243 2,246 5,251 5,254 7,256 3,260 5,265 3,268 6,270 3,273 1258,274 19.223,275 19.223,276 19.223,277 19.223,278 19.223,279 16.521,280 21.145,281 11.559,282 19.576,283 15.337,284 15.337,285 15.337,286 15.337,287 15.337,288 11.332,289 23.141,290 5.538,291 15.925,292 4.191,293 2.12,294 1.28,295 0.76,296 0.549,297 0.549,298 4.075,301 1,302 1,303 858,304 3,306 68.808,307 285.674,310 127.899,314 2.258,315 18.64,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 59.5,327 391,328 4.638,329 3.261,330 6.78,331 4.155,332 3.187,333 4.608,334 1.151,335 11.107,336 3.087,337 4.047,338 3.007,339 5.509,340 3.649,341 2.677,342 3.641,344 7.439,345 2.609,346 3.888,347 2.734,348 5.34,349 3.498,350 2.505,351 3.44,353 6.963,354 2.486,355 3.71,356 2.52,357 5.305,358 3.279,359 2.343,360 3.155,362 6.698,363 2.193,364 3.483,365 2.456,366 5.102,367 3.136,368 2.178,369 2.791,371 6.297,372 2.071,373 3.406,374 2.067,375 5.063,376 2.9,377 1.98,378 2.767,380 5.791,381 1.818,382 3.072,383 1.952,384 4.766,385 2.726,386 1.768,387 2.243,389 5.009,390 1.687,391 2.917,392 1.649,393 3.642,394 2.487,395 1.497,396 2.086,398 3.153,399 1.48,400 2.5,401 1.218,402 3.591,403 2.104,404 1.122,405 1.5,407 2.521,408 1.099,409 2.5,410 1,411 3.461,412 2,413 1,414 1.5,415 2.275,416 1,417 2.359,418 1,419 3.414,420 2,421 1,422 1.323,423 2.136,424 1,425 2.195,426 0.999,427 3.247,428 1.747,429 0.819,430 1.117,431 2.057,432 0.758,433 1.867,434 0.846,435 3.112,436 1.573,437 0.665,438 0.775,439 1.544,440 0.597,441 1.296,442 0.356,443 2.754,444 1.056,445 0.083,446 0.096,448 0.205,449 0.08,450 1.093,451 -0.017,452 2.652,453 0.689,454 -0.25,455 -0.315,457 -0.634,458 -0.234,459 13.333,460 0.476,461 0.571,462 0.02,463 39.5,464 1.411,465 21.5,466 0.768,467 18,468 0.643,469 20.034,470 0.716,471 29.267,472 0.574,473 27.025,474 0.965,475 7.782,476 0.278,477 5.905,478 0.211,479 0.06,481 0.3,485 1.065,486 1.13,487 0.841,488 0.944,489 1.203,490 0.869,491 0.824,492 0.965,493 0.884,494 1.055,495 0.573,496 1.003,497 1.09,498 1.186,499 1.013,500 1.143,501 0.897,502 1.085,503 0.954,504 1.067,505 1.063,506 1.184,507 0.77,508 1.16,509 1.274,510 0.856,511 1.192,512 0.938,513 1.365,514 1.024,515 0.91,516 0.77,517 0.922,518 0.845,519 0.864,520 0.882,521 0.94,522 0.956,523 1.041,524 1.017,525 1.029,526 1.04,527 0.84,528 1.052,529 0.934,530 1.029,531 0.776,532 1.004,533 5,534 0.119,535 2.444,536 1.535,537 1.223,538 0.632,539 0.243,540 0.326,541 0.218,542 0.133,543 12244,544 30358,545 2.137,546 45.1,547 6,548 11,549 1,551 5,555 1.7,556 2.049,557 3.715,558 2.432,560 1,564 75.535,565 1.481,566 3.553,567 4.392,568 4.913,569 5.123,570 5.123,571 3.213,572 4.084,573 4.78,574 3.926,575 1484.05,576 8.256,577 21258.1,579 1,581 1,582 289.294,583 1.198,584 4.76,585 0.161,586 0.007,587 0.058,588 0.038,589 0.036,590 0.023,591 0.009,592 0.012,593 0.009,594 0.006,595 0.36,597 1,598 0.444,599 145.473,600 -0.121,601 0.043,602 0.028,603 0.07,604 -0.201,605 0.073,606 0.194,607 0.113,608 0.024,609 -0.033,610 0.23,611 -0.035,612 -0.072,613 -0.181,614 -0.063,615 -0.142,616 -0.049,617 -0.107,618 0.122,619 -0.102,620 -0.085,621 -0.194,622 0.161,623 -0.179,624 -0.235,625 0.122,626 -0.185,627 0.009,628 -0.271,629 -0.06,630 -0.065,631 0.132,632 0.073,633 0.162,634 -0.052,635 0.14,636 -0.113,637 0.017,638 -0.088,639 -0.007,640 -0.155,641 -0.038,642 -0.014,643 -0.118,644 0.042,645 -0.023,646 0.047,647 0.007,648 1.479,649 2.339,650 0.75,651 31.061,652 0.996,653 1.126,654 4.145,655 17.184,656 0.673,657 3.466,658 3.761,659 4.007,660 4.263,661 4.419,662 4.419,663 4.443,664 4.533,665 4.564,666 4.585,667 8.099,668 0.638,669 373.5,670 3.466,671 4.99,672 5.826,673 6.688,674 7.537,675 8.406,676 9.262,677 10.134,678 10.996,679 11.872,680 9.8,684 2,688 1,690 2,694 2,695 10,696 2,697 1,700 6,702 22,711 2,716 1,718 51,719 22,720 2,721 31,723 54,724 22,725 18,726 3,727 9,729 4,730 5,739 3,741 18,742 4,754 1,757 23,758 5,759 5,760 6,764 5,769 0.75,770 1,776 1,777 1,780 1,781 3,784 1,802 3,810 28,811 2,816 4,818 1,829 2,834 1,836 13.667,837 8.817,838 6.167,839 2.95,840 4.018,841 1.528,842 1.028,843 5.559,844 11.633,845 3.761,846 4.385,847 4.979,848 5.573,849 6.048,850 6.213,851 6.466,852 6.791,853 6.879,854 7.033,855 1,856 40,857 10.289,859 4.312,860 7.619,861 19.856,863 16.216,865 2.119,866 59.333,868 1,869 1,870 211.88,871 129.845,872 116.151,874 11,877 129.845,878 222.88,879 116.151,881 12.196,882 160.128,883 35.286,884 45.159,885 15.998,886 200.109,888 211.88,889 245.996,890 11,893 211.88,894 11,897 32.596,898 179.829,899 33.571,901 211.88,902 127.151,903 129.845,906 211.88,907 35.511,908 94.334,909 16.786,910 110.365,911 211.88,912 127.151,913 129.845,915 0.574,916 0.329,917 0.181,918 0.095,919 20,920 8,921 0.13,922 7,923 1,924 1.095,925 4.239,926 229.195,927 0.095,928 21,929 126.606,933 18.479,934 8.423,935 4.523,936 1.568,937 110.365,938 20.393,939 8.25,940 3.126,943 5.06,945 82.58,946 468.876,947 42,956 50.789,957 57.438,958 0.261,959 0.626,960 0.774,961 0.866,962 0.903,963 0.903,964 4.966,965 1.497,966 5.784,967 5.009,968 4.443,969 5.072,970 1.294,971 6.547,972 4.37,973 6.168,974 1.122,975 7.306,976 3.153,977 3.892,978 4.808,980 7.349,981 3.782,982 7.464,983 1,984 8.927,985 2.521,986 5.984,987 7.308,988 1.506,989 10.451,990 5.847,991 8.799,992 1,993 10.61,994 2.275,995 6.275,996 7.919,998 12.171,999 6.105,1000 10.167,1001 0.819,1002 12.336,1003 2.136,1004 7.803,1005 9.856,1006 1.731,1007 14.794,1008 7.61,1009 11.561,1010 0.665,1011 14.095,1012 2.057,1013 8.514,1014 10.913,1016 16.925,1017 8.289,1018 12.976,1019 0.083,1020 15.881,1021 1.544,1022 9.805,1023 12.608,1024 1.968,1025 19.399,1026 9.556,1027 3.187,1028 -0.25,1029 17.687,1030 0.205,1031 10.734,1032 13.901,1034 21.701,1035 10.453,1036 2.677,1037 11.107,1038 19.513,1039 -0.634,1040 11.926,1041 15.491,1042 2.214,1043 24.13,1044 11.619,1045 2.505,1046 7.439,1047 21.354,1048 4.608,1049 12.967,1050 16.905,1052 26.498,1053 12.626,1054 2.343,1055 6.963,1056 23.208,1057 3.641,1058 14.124,1059 18.452,1060 2.468,1061 28.912,1062 13.754,1063 2.178,1064 6.698,1065 25.074,1066 3.44,1067 15.22,1068 19.924,1070 31.305,1071 14.817,1072 1.98,1073 6.297,1074 26.949,1075 3.155,1076 16.367,1077 21.455,1078 2.727,1079 33.714,1080 15.933,1081 1.768,1082 5.791,1083 28.831,1084 2.791,1085 17.492,1086 22.956,1088 36.116,1089 17.023,1090 11404,1091 18102,1092 21.266,1093 34.336,1094 45.94,1095 46.011,1096 46.3,1097 45.702,1098 45.649,1099 62.082,1100 2.302,1101 126.387,1102 43.93,1103 5.517,1104 5.261,1105 6.582,1106 5.227,1107 5.187,1108 7.608,1109 2.302,1110 17.997,1111 5.087,1112 10.08,1113 1.482,1114 1.484,1115 1.494,1116 1.474,1117 1.473,1118 2.003,1119 0.074,1120 4.077,1121 1.417,1122 4.114,1123 4.16,1124 4.084,1125 3.986,1126 5.322,1127 4.003,1128 3.953,1129 3.978,1130 3.888,1131 3.874,1132 4.981,1133 3.874,1134 3.87,1135 3.901,1136 3.796,1137 3.816,1138 4.877,1139 3.808,1140 3.54,1141 3.606,1142 3.43,1143 3.383,1144 4.768,1145 3.381,1146 3.362,1147 3.444,1148 3.257,1149 3.123,1150 4.715,1151 3.151,1152 3.202,1153 3.258,1154 3.064,1155 3.016,1156 4.299,1157 3.017,1158 3.092,1159 3.211,1160 2.965,1161 2.792,1162 4.113,1163 2.821,1164 2.899,1165 2.982,1166 2.742,1167 2.735,1168 3.914,1169 2.719,1170 0.15,1171 0.105,1172 0.219,1173 0.134,1174 0.103,1175 4.638,1176 0.149,1177 3.261,1178 0.037,1179 6.78,1180 0.358,1181 4.155,1182 0.1,1183 3.187,1184 4.608,1185 1.151,1186 11.107,1187 3.087,1188 1.939,1189 1.914,1190 2.066,1191 2.039,1192 1.324,1193 2.046,1194 1.892,1195 1.863,1196 2.026,1197 2.008,1198 1.138,1199 1.997,1200 1.828,1201 1.795,1202 1.9,1203 1.965,1204 1.065,1205 1.961,1206 1.619,1207 1.558,1208 1.775,1209 1.808,1210 0.853,1211 1.814,1212 1.346,1213 1.285,1214 1.556,1215 1.579,1216 0.653,1217 1.578,1218 1.171,1219 1.114,1220 1.439,1221 1.411,1222 0.594,1223 1.418,1224 1.026,1225 0.934,1226 1.282,1227 1.373,1228 0.348,1229 1.36,1230 0.911,1231 0.821,1232 1.237,1233 1.238,1234 0.218,1235 1.252,1236 4.143,1238 5.442,1239 2.398,1240 6.93,1241 4.727,1242 8.507,1243 6.843,1244 10.132,1250 11.652,1252 3.445,1254 5.839,1262 32.563,1263 75.535,1264 181.181,1265 224.009,1266 250.539,1267 261.294,1268 261.294,1269 37.079,1270 7.615,1271 102.84,1272 102.84,1273 23,1274 12.414,1275 4.524,1276 3.585,1277 42.957,1278 139,1279 126,1280 0.148,1281 200.922,1282 333.51,1283 482.01,1284 24859,1286 19.347,1287 0.691,1288 0.556,1289 19.347,1290 15.559,1291 13.687,1292 0.442,1293 0.301,1294 9.234,1295 13.291,1296 9.044,1297 7.518,1298 13.687,1299 9.335,1300 12.128,1301 0.289,1302 0.161,1303 12.128,1304 6.776,1305 9.995,1306 0.185,1307 0.088,1308 9.995,1309 4.742,1310 8.569,1311 0.122,1312 0.047,1313 8.569,1314 3.318,1315 6.508,1316 0.079,1317 0.026,1318 6.508,1319 2.145,1320 0.245,1321 84.876,1322 0.217,1323 27.708,1324 0.376,1325 146,1326 377.983,1327 157.702,1328 376.348,1329 527.18,1330 354,1331 169,1332 400.75,1333 180.315,1334 409.464,1335 595.23,1336 386,1337 6.18}
{0 CHEMBL597962,1 1.377,2 10.958,3 4.371,4 19.108,5 99.843,6 6.84,7 0.593,8 3.945,9 4.092,10 3.445,11 3.498,12 4.97,13 3.46,14 4.491,15 4.682,16 3.812,17 3.936,18 5.463,19 3.856,20 4.764,21 5.002,22 3.817,23 4.063,24 5.609,25 3.946,26 4.793,27 5.045,28 3.713,29 4.016,30 5.683,31 3.866,32 4.765,33 5.053,34 3.389,35 3.869,36 5.568,37 3.69,38 4.608,39 4.915,40 3.232,41 3.707,42 5.285,43 3.515,44 4.408,45 4.69,46 3.244,47 3.592,48 5.184,49 3.442,50 4.371,51 4.654,52 3.281,53 3.549,54 5.182,55 3.412,56 0.068,57 0.74,58 10.787,59 4.073,60 9.712,61 5.968,62 0.21,63 1.192,64 19.234,65 7.935,66 21.896,67 11.263,68 0.161,69 1.428,70 26.076,71 9.731,72 20.551,73 14.531,74 0.273,75 1.427,76 27.182,77 10.355,78 34.313,79 15.235,80 0.279,81 1.301,82 27.326,83 8.682,84 35.354,85 13.569,86 0.184,87 1.058,88 23.328,89 8.321,90 21.598,91 12.654,92 0.147,93 0.92,94 18.797,95 6.649,96 18.96,97 10.104,98 0.124,99 0.892,100 18.091,101 6.374,102 18.848,103 9.745,104 5,105 38,106 0.235,107 0.576,108 0.708,109 0.788,110 0.847,111 0.868,112 3.228,113 0.967,114 -5.44,115 -5.32,116 -4.97,119 40.4,121 7,139 3,140 5,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 16,169 1,170 2,172 3,173 4,175 3,178 20,180 1,182 2,187 2,189 19,191 1,193 2,195 1,196 2,197 3,198 3,200 4,201 14,204 2,205 1,207 2,212 3,215 11,218 2,221 2,226 3,229 9,231 2,234 2,239 4,241 7,243 2,246 4,251 5,254 5,256 3,260 4,265 5,268 3,270 3,273 730,274 16.447,275 16.447,276 16.447,277 16.447,278 16.447,279 14.496,280 19.309,281 9.705,282 16.681,283 13.359,284 13.359,285 13.359,286 13.359,287 13.359,288 10.321,289 17.379,290 4.622,291 13.749,292 4.178,293 2.179,294 1.41,295 0.936,296 0.596,297 0.468,298 3.93,301 1,302 1,303 586,304 2.646,306 49.463,307 183.164,310 92.873,311 103.497,314 1.469,315 15.192,317 1,318 0.75,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.86,326 50.5,327 263,328 4.638,329 3.261,330 6.78,331 4.155,332 3.187,333 4.608,335 11.107,336 3.087,337 4.276,338 3.135,339 6.183,340 3.923,341 2.923,342 3.916,344 9.226,345 2.923,346 3.712,347 2.586,348 5.314,349 3.328,350 2.361,351 3.155,353 6.744,354 2.311,355 3.573,356 2.476,357 5.25,358 3.241,359 2.275,360 2.877,362 6.63,363 2.167,364 3.407,365 2.067,366 5.063,367 2.9,368 1.98,369 2.789,371 5.791,372 1.818,373 3.072,374 1.952,375 4.766,376 2.73,377 1.77,378 2.243,380 5.01,381 1.692,382 2.923,383 1.905,384 4.415,385 2.618,386 1.618,387 2.061,389 4.369,390 1.618,391 2.492,392 1.45,393 3.629,394 2.421,395 1.422,396 1.492,398 3.037,399 1.42,400 2.349,401 1.117,402 3.59,403 2.086,404 1.097,405 1.307,407 2.471,408 1.084,409 2.184,410 0.865,411 3.452,412 1.751,413 0.816,414 1.108,415 2.051,416 0.761,417 1.882,418 0.77,419 3.159,420 1.669,421 0.675,422 0.793,423 1.567,424 0.671,425 1.249,426 0.264,427 2.795,428 1.037,429 0.054,430 0.062,431 0.138,432 0.053,433 1.063,434 -0.136,435 2.663,436 0.658,437 -0.283,438 -0.358,439 -0.738,440 -0.265,441 0.845,442 -0.295,443 2.346,444 0.476,445 -0.466,446 -0.574,448 -1.163,449 -0.435,450 0.687,451 -0.428,452 2.205,453 0.382,454 -0.618,455 -0.724,457 -1.463,458 -0.601,459 11.5,460 0.479,461 0.554,462 0.023,463 30.5,464 1.271,465 15,466 0.625,467 15.5,468 0.646,469 20.105,470 0.838,471 25.7,472 0.547,473 18.852,474 0.786,475 5.399,476 0.225,477 6.304,478 0.263,479 0.07,481 0.348,485 1.16,486 1.162,487 0.909,488 0.958,489 1.205,490 0.915,491 0.407,492 0.965,493 0.861,494 1.066,495 0.352,496 1.022,497 0.818,498 1.127,499 0.956,500 1.092,501 0.738,502 1.048,503 0.511,504 1.098,505 1.03,506 1.239,507 0.573,508 1.199,509 1.372,510 0.927,511 1.245,512 1.035,513 1.378,514 1.111,515 0.766,516 0.83,517 0.912,518 0.918,519 0.739,520 0.929,521 0.881,522 0.903,523 0.929,524 0.931,525 0.889,526 0.935,527 0.743,528 1.004,529 0.797,530 0.924,531 0.628,532 0.876,533 4.5,534 0.135,535 2.444,536 1.785,537 1.285,538 0.479,539 0.222,540 0.259,541 0.162,542 0.172,543 7338,544 15431,545 2.161,546 48.9,547 14,548 3,549 1,551 5,555 1.662,556 2.057,557 3.399,558 2.578,560 1,564 64.703,565 1.377,566 3.375,567 4.145,568 4.618,569 4.959,570 5.087,571 2.836,572 4.418,573 4.562,574 3.544,575 978.184,576 7.833,577 11788.7,579 1,581 1,582 261.066,583 1.281,584 4.532,585 0.167,586 0.007,587 0.064,588 0.048,589 0.041,590 0.023,591 0.012,592 0.013,593 0.008,594 0.009,595 0.392,597 0.88,598 0.49,599 115.586,600 -0.148,601 0.074,602 0.032,603 0.114,604 -0.136,605 0.096,606 0.397,607 0.15,608 0.075,609 0.007,610 0.349,611 0.006,612 -0.015,613 -0.115,614 -0.005,615 -0.059,616 -0.002,617 -0.036,618 0.295,619 -0.116,620 -0.076,621 -0.221,622 0.236,623 -0.194,624 -0.282,625 0.036,626 -0.254,627 -0.092,628 -0.286,629 -0.157,630 -0.007,631 0.041,632 0.059,633 0.071,634 -0.004,635 0.072,636 -0.043,637 0.03,638 0.041,639 0.063,640 -0.018,641 0.062,642 0.081,643 -0.081,644 0.175,645 0.071,646 0.179,647 0.123,648 1.456,649 2.01,650 0.792,651 18.653,652 0.989,653 1.133,654 4.207,655 17.7,656 0.657,657 3.332,658 3.664,659 3.951,660 4.248,661 4.419,662 4.443,663 4.466,664 4.543,665 4.564,666 4.533,667 6.383,668 0.614,669 321.47,670 3.332,671 4.875,672 5.733,673 6.619,674 7.489,675 8.379,676 9.254,677 10.144,678 11.021,679 11.913,680 10.6,684 2,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,718 47,719 16,720 1,721 27,723 50,724 19,725 12,726 3,727 3,729 4,730 6,736 4,739 7,741 12,742 7,754 1,757 23,758 4,759 5,760 5,764 5,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,810 24,811 2,816 7,836 11.667,837 8.15,838 5.194,839 3.04,840 3.163,841 1.424,842 1.047,843 4.151,844 10.629,845 3.584,846 4.23,847 4.857,848 5.481,849 5.952,850 6.206,851 6.444,852 6.728,853 6.726,854 6.779,855 1,856 37,857 8.869,859 3.799,860 7.514,861 17.528,863 15.002,865 2.014,866 48.333,869 1,870 211.88,871 76.475,872 116.151,877 76.475,878 211.88,879 116.151,881 17.742,882 103.271,883 35.286,884 32.101,885 15.998,886 200.109,888 211.88,889 192.626,893 211.88,897 38.142,898 120.914,899 33.571,901 211.88,902 116.151,903 76.475,906 211.88,907 38.999,908 37.476,909 16.786,910 99.365,911 211.88,912 116.151,913 76.475,915 0.583,916 0.343,917 0.197,918 0.102,919 20,920 8,921 0.08,922 4,923 2,924 1.211,925 3.756,926 195.801,927 0.211,928 19,929 108.039,933 15.462,934 6.443,935 3.142,936 1.637,937 99.365,938 8.992,939 8.276,940 3.148,943 6.373,945 82.58,946 404.506,947 35,956 46.461,957 53.228,958 0.248,959 0.608,960 0.746,961 0.831,962 0.893,963 0.916,964 4.82,965 1.422,966 5.714,967 4.369,968 4.344,969 4.916,971 6.526,972 4.29,973 6.033,974 1.097,975 7.268,976 3.037,977 3.892,978 4.808,980 7.416,981 3.809,982 7.351,983 0.816,984 8.921,985 2.471,986 5.932,987 7.193,989 10.537,990 5.834,991 8.708,992 0.675,993 10.636,994 2.051,995 6.312,996 7.943,998 12.303,999 6.19,1000 10.101,1001 0.054,1002 12.392,1003 1.567,1004 7.812,1005 9.802,1007 14.936,1008 7.676,1009 11.518,1010 -0.283,1011 14.177,1012 0.138,1013 8.595,1014 10.957,1016 17.073,1017 8.436,1018 12.955,1019 -0.466,1020 15.985,1021 -0.738,1022 9.874,1023 12.607,1025 19.543,1026 9.698,1027 3.187,1028 -0.618,1029 17.81,1030 -1.163,1031 10.85,1032 13.955,1034 21.833,1035 10.65,1036 2.923,1037 11.107,1038 19.65,1039 -1.463,1040 12.04,1041 15.521,1043 24.25,1044 11.818,1045 2.361,1046 9.226,1047 21.501,1048 4.608,1049 13.106,1050 16.96,1052 26.602,1053 12.857,1054 2.275,1055 6.744,1056 23.362,1057 3.916,1058 14.261,1059 18.494,1061 29.004,1062 13.989,1063 1.98,1064 6.63,1065 25.23,1066 3.155,1067 15.369,1068 19.975,1070 31.383,1071 15.068,1072 1.77,1073 5.791,1074 27.105,1075 2.877,1076 16.514,1077 21.498,1079 33.781,1080 16.186,1081 1.618,1082 5.01,1083 28.986,1084 2.789,1085 17.64,1086 23,1088 36.173,1089 17.282,1090 6805,1091 10037,1092 18.493,1093 30.881,1094 40.495,1095 40.57,1096 41.275,1097 40.428,1098 40.36,1099 52.821,1101 116.279,1102 39.212,1103 5.582,1104 5.261,1105 6.467,1106 5.227,1107 5.187,1108 7.608,1110 17.997,1111 5.087,1112 8.861,1113 1.5,1114 1.503,1115 1.529,1116 1.497,1117 1.495,1118 1.956,1120 4.307,1121 1.452,1122 4.117,1123 4.163,1124 4.085,1125 4.002,1126 5.321,1127 4.011,1128 4.007,1129 4.04,1130 3.939,1131 3.935,1132 4.981,1133 3.938,1134 3.634,1135 3.697,1136 3.494,1137 3.517,1138 4.772,1139 3.503,1140 3.46,1141 3.534,1142 3.36,1143 3.297,1144 4.712,1145 3.296,1146 3.314,1147 3.4,1148 3.167,1149 3.091,1150 4.134,1151 3.109,1152 3.123,1153 3.217,1154 2.975,1155 2.981,1156 4.075,1157 2.962,1158 3.089,1159 3.196,1160 2.927,1161 2.779,1162 3.9,1163 2.813,1164 2.871,1165 2.962,1166 2.688,1167 2.689,1168 3.721,1169 2.682,1170 0.172,1171 0.121,1172 0.251,1173 0.154,1174 0.118,1175 4.638,1176 0.171,1177 3.261,1179 6.78,1180 0.411,1181 4.155,1182 0.114,1183 3.187,1184 4.608,1186 11.107,1187 3.087,1188 2.015,1189 1.987,1190 2.149,1191 2.094,1192 1.449,1193 2.114,1194 1.844,1195 1.808,1196 1.964,1197 2.012,1198 1.291,1199 1.981,1200 1.677,1201 1.617,1202 1.828,1203 1.858,1204 1.009,1205 1.874,1206 1.533,1207 1.475,1208 1.724,1209 1.702,1210 0.831,1211 1.716,1212 1.295,1213 1.224,1214 1.531,1215 1.524,1216 0.764,1217 1.535,1218 1.152,1219 1.077,1220 1.469,1221 1.379,1222 0.638,1223 1.397,1224 1.021,1225 0.927,1226 1.281,1227 1.348,1228 0.379,1229 1.36,1230 0.902,1231 0.796,1232 1.236,1233 1.233,1234 0.234,1235 1.247,1236 4.007,1238 5.333,1239 2.398,1240 6.855,1241 4.727,1242 8.474,1243 6.843,1244 10.144,1250 11.654,1252 8.253,1262 28.848,1263 64.703,1264 158.643,1265 194.801,1266 217.066,1267 233.066,1268 239.066,1269 29.885,1270 7.467,1271 93.61,1272 93.61,1273 23,1274 12.443,1275 4.087,1276 3.17,1277 34.161,1278 95,1279 76,1280 0.178,1281 176.931,1282 291.64,1283 423.472,1284 19325,1286 16.518,1287 0.688,1288 0.575,1289 16.518,1290 13.808,1291 11.704,1292 0.433,1293 0.322,1294 8.634,1295 11.438,1296 8.461,1297 7,1298 11.704,1299 8.701,1300 10.643,1301 0.28,1302 0.175,1303 10.643,1304 6.668,1305 8.969,1306 0.176,1307 0.098,1308 8.969,1309 4.983,1310 8.045,1311 0.117,1312 0.055,1313 8.045,1314 3.767,1315 6.16,1316 0.075,1317 0.032,1318 6.16,1319 2.645,1320 0.285,1321 72.069,1322 0.233,1323 23.724,1324 0.47,1325 130,1326 288.248,1327 138.159,1328 293.55,1329 418.4,1330 276,1331 154,1332 326.296,1333 161.66,1334 334.727,1335 491.42,1336 317,1337 5.962}
{0 CHEMBL598090,1 1.798,2 7.952,3 2.694,4 7.257,5 84.618,6 8.64,7 0.696,8 3.694,9 3.801,10 3.431,11 3.243,12 4.919,13 3.227,14 4.149,15 4.29,16 3.851,17 3.601,18 5.361,19 3.568,20 4.23,21 4.358,22 3.953,23 3.71,24 5.393,25 3.652,26 4.324,27 4.456,28 3.848,29 3.692,30 5.56,31 3.602,32 4.345,33 4.531,34 3.609,35 3.596,36 5.444,37 3.492,38 4.233,39 4.449,40 3.42,41 3.473,42 5.2,43 3.375,44 4.131,45 4.325,46 3.238,47 3.346,48 5.211,49 3.268,50 4.08,51 4.331,52 3.069,53 3.178,54 5.155,55 3.073,56 0.093,57 0.55,58 6.321,59 3.062,60 10.913,61 3.306,62 0.311,63 0.819,64 13.385,65 5.522,66 24.368,67 6.002,68 0.21,69 0.928,70 15.095,71 6.068,72 14.915,73 6.117,74 0.406,75 0.968,76 19.986,77 7.201,78 31.647,79 7.301,80 0.502,81 0.943,82 21.318,83 6.283,84 37.973,85 6.701,86 0.221,87 0.786,88 17.575,89 6.4,90 18.565,91 8.058,92 0.339,93 0.719,94 14.617,95 5.003,96 26.392,97 5.845,98 0.254,99 0.679,100 12.831,101 4.527,102 24.227,103 6.441,104 18,105 33,106 0.327,107 0.708,108 0.791,109 0.853,110 0.864,111 0.864,112 3.104,113 0.919,114 -3.98,115 -3.93,116 -3.73,119 40,120 1,124 1,139 4,140 2,141 2,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 5,169 2,170 6,172 3,173 3,175 1,178 5,180 1,182 6,187 1,189 5,191 1,192 1,193 5,195 3,196 3,197 1,198 2,200 2,201 2,204 2,205 1,206 1,207 4,212 2,215 4,218 2,221 4,226 2,229 5,231 2,233 1,234 3,239 1,241 2,243 1,245 1,246 3,248 1,249 1,251 3,256 3,260 1,262 1,263 1,265 3,270 3,273 522,274 14.093,275 14.093,276 14.093,277 14.093,278 14.093,279 12.062,280 14.138,281 8.143,282 14.61,283 11.277,284 11.277,285 11.277,286 11.277,287 11.277,288 8.215,289 15.709,290 3.77,291 12.07,292 3.332,293 1.243,294 0.786,295 0.443,296 0.386,297 0.386,298 3.78,300 1,301 1,302 1,303 355,304 2.449,306 39.666,307 116.66,310 77.813,314 1.202,315 19.266,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 46,327 167,328 4.701,329 4.595,330 6.876,331 4.23,332 3.263,333 4.676,334 2.95,335 11.411,336 3.16,337 4.203,338 3.431,339 6.161,340 3.768,341 2.846,342 3.811,343 0.86,344 9.11,345 2.613,346 3.822,347 2.997,348 5.686,349 3.367,350 2.445,351 3.308,353 7.468,354 2.246,355 3.44,356 2.482,357 5.143,358 2.977,359 2.048,360 2.816,362 6.06,363 1.902,364 3.241,365 2.266,366 4.964,367 2.772,368 1.845,369 2.516,371 5.56,372 1.702,373 2.917,374 1.998,375 4.43,376 2.481,377 1.551,378 2.089,380 4.16,381 1.44,382 2.868,383 1.722,384 4.152,385 2.42,386 1.451,387 2.002,389 3.291,390 1.383,391 2.513,392 1.593,393 3.621,394 2.112,395 1.158,396 1.517,398 2.973,399 1.095,400 1.737,401 0.942,402 3.036,403 1.411,404 0.531,405 0.621,407 0.92,408 0.462,409 1.276,410 0.662,411 2.727,412 0.92,413 0.038,414 0.045,415 0.084,416 0.032,417 1.143,418 0.401,419 2.677,420 0.744,421 -0.183,422 -0.23,423 -0.468,424 -0.17,425 0.911,426 0.016,427 2.492,428 0.496,429 -0.418,430 -0.529,431 -1.009,432 -0.377,433 0.627,434 -0.305,435 2.232,436 0.282,437 -0.63,438 -0.732,439 -1.417,440 -0.564,441 0.561,442 -0.479,443 2,444 0.119,445 -0.842,446 -1.096,448 -1.923,449 -0.793,450 0.258,451 -0.616,452 1.73,453 -0.11,454 -1.052,455 -1.408,457 -2.814,458 -0.984,459 10.1,460 0.481,461 0.575,462 0.027,463 30,464 1.429,465 16,466 0.762,467 14,468 0.667,469 14.726,470 0.701,471 22.3,472 0.637,473 19.937,474 0.949,475 5.989,476 0.285,477 4.108,478 0.196,479 0.178,481 0.396,485 1.041,486 1.104,487 0.731,488 0.856,489 1.274,490 0.793,491 0.886,492 0.711,493 0.665,494 0.78,495 0.593,496 0.667,497 1.109,498 1.198,499 1.051,500 1.138,501 0.942,502 0.918,503 1.089,504 1.253,505 1.525,506 1.512,507 0.738,508 1.258,509 1.415,510 0.965,511 1.524,512 1.194,513 1.513,514 1.139,515 0.756,516 1.075,517 0.852,518 1.102,519 0.568,520 1.033,521 1.319,522 1.044,523 1.116,524 0.993,525 1.199,526 1.113,527 0.527,528 1.174,529 0.671,530 0.949,531 0.693,532 1.145,533 4.5,534 0.012,535 2.444,536 2.292,537 1.312,538 0.73,539 0.432,540 0.282,541 0.18,542 0.09,543 4002,544 12311,545 2.045,546 40,547 3,548 7,551 4,555 1.635,556 1.881,557 3.004,558 1.968,560 1,562 1,564 62.919,565 1.798,566 3.886,567 4.343,568 4.686,569 4.743,570 4.743,571 2.439,572 4.202,573 4.367,574 3.13,575 657.311,576 7.495,577 6835.11,578 1,579 1,580 1,581 1,582 179.525,583 1.51,584 4.305,585 0.196,586 0.006,587 0.074,588 0.067,589 0.044,590 0.032,591 0.02,592 0.015,593 0.012,594 0.01,595 0.475,596 0.33,597 1,598 0.874,599 93.373,600 -0.167,601 0.021,602 0.038,603 0.075,604 -0.332,605 0.074,606 0.187,607 0.331,608 0.279,609 0.234,610 0.252,611 0.265,612 -0.134,613 -0.082,614 0.075,615 0.007,616 -0.116,617 0.014,618 0.079,619 -0.185,620 -0.259,621 -0.289,622 0.245,623 -0.304,624 -0.237,625 0.075,626 -0.358,627 -0.104,628 -0.409,629 -0.199,630 0.055,631 -0.211,632 0.076,633 -0.121,634 0.151,635 0.019,636 -0.212,637 -0.113,638 -0.272,639 -0.108,640 -0.219,641 -0.173,642 0.205,643 -0.288,644 0.046,645 -0.185,646 0.215,647 -0.162,648 1.567,649 2.26,650 0.714,651 14.027,652 1.016,653 1.126,654 2.753,655 7.577,656 0.697,657 3.178,658 3.526,659 3.829,660 4.127,661 4.29,662 4.369,663 4.431,664 4.533,665 4.522,666 4.419,667 4.942,668 0.667,669 302.39,670 3.178,671 4.727,672 5.595,673 6.494,674 7.378,675 8.284,676 9.176,677 10.085,678 10.981,679 11.892,680 11.4,684 2,690 2,694 2,695 4,696 2,698 1,700 6,702 16,711 2,716 1,718 35,719 16,720 1,721 23,723 37,724 14,725 12,726 2,727 4,729 3,730 4,734 1,741 12,742 2,753 1,754 1,756 1,757 14,758 6,759 4,760 7,761 1,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,803 1,804 1,806 2,810 21,811 2,818 1,819 1,829 5.7,834 2,836 11.167,837 6.9,838 4.639,839 1.804,840 3.19,841 1.466,842 1.006,843 3.758,844 10.042,845 3.466,846 4.155,847 4.805,848 5.452,849 5.961,850 6.277,851 6.646,852 7.066,853 7.251,854 7.452,855 1,856 34,857 7.676,859 3.218,860 7.794,861 14.402,863 11.471,865 2.294,866 48.167,870 117.711,871 114.834,872 99.365,874 20.507,876 32.22,877 82.614,878 138.218,879 99.365,880 19.708,882 103.699,883 37.978,884 36.874,885 4.227,886 149.931,888 117.711,889 181.98,890 20.507,891 32.22,893 117.711,894 20.507,897 18.946,898 129.463,899 33.571,900 32.22,901 117.711,902 119.873,903 114.834,906 117.711,907 57.221,908 57.613,910 119.873,911 117.711,912 119.873,913 114.834,915 0.585,916 0.357,917 0.202,918 0.102,919 17,920 8,921 0.081,922 3,923 1,924 1.133,925 3.245,926 165.397,927 0.133,928 15,929 92.239,930 1,933 14.195,934 5.559,935 2.575,936 1.094,937 119.873,938 7.708,939 8.045,941 5.76,943 3.732,945 65.794,946 352.418,947 31,956 35.556,957 39.408,958 0.35,959 0.758,960 0.847,961 0.914,962 0.925,963 0.925,964 4.7,965 1.158,966 5.602,967 3.291,968 4.205,969 4.84,970 2.99,971 6.457,972 4.077,973 5.948,974 0.531,975 7.191,976 2.973,977 3.892,978 4.808,980 7.434,981 3.71,982 7.286,983 0.038,984 8.879,985 0.92,986 5.838,987 7.168,988 5.034,989 10.567,990 5.605,991 8.664,992 -0.183,993 10.625,994 0.084,995 6.33,996 7.959,998 12.379,999 6.056,1000 10.073,1001 -0.418,1002 12.408,1003 -0.468,1004 7.779,1005 9.816,1006 7.185,1007 15.041,1008 7.467,1009 11.506,1010 -0.63,1011 14.217,1012 -1.009,1013 8.643,1014 11.001,1016 17.209,1017 8.3,1018 12.959,1019 -0.842,1020 16.046,1021 -1.417,1022 9.904,1023 12.659,1024 9.348,1025 19.711,1026 9.53,1027 3.263,1028 -1.052,1029 17.891,1030 -1.923,1031 10.937,1032 14.033,1034 22.029,1035 10.536,1036 2.846,1037 11.411,1038 19.749,1039 -2.814,1040 12.129,1041 15.61,1042 11.511,1043 24.478,1044 11.702,1045 2.445,1046 9.11,1047 21.617,1048 4.676,1049 13.236,1050 17.072,1052 26.86,1053 12.783,1054 2.048,1055 7.468,1056 23.494,1057 3.811,1058 14.407,1059 18.621,1060 13.675,1061 29.293,1062 13.929,1063 1.845,1064 6.06,1065 25.378,1066 3.308,1067 15.548,1068 20.124,1070 31.702,1071 15.044,1072 1.551,1073 5.56,1074 27.267,1075 2.816,1076 16.715,1077 21.663,1078 15.838,1079 34.131,1080 16.186,1081 1.451,1082 4.16,1083 29.162,1084 2.516,1085 17.871,1086 23.185,1088 36.552,1089 17.317,1090 3964,1091 7088,1092 15.027,1093 24.387,1094 34.622,1095 37.475,1096 36.488,1097 34.333,1098 34.349,1099 46.802,1100 7.62,1101 102.075,1102 32.07,1103 5.487,1104 6.595,1105 6.571,1106 5.375,1107 5.263,1108 7.676,1109 5.9,1110 18.575,1111 5.16,1112 11.016,1113 1.505,1114 1.629,1115 1.586,1116 1.493,1117 1.493,1118 2.035,1119 0.331,1120 4.438,1121 1.394,1122 4.088,1123 4.102,1124 4.175,1125 3.975,1126 5.355,1127 3.98,1128 3.876,1129 3.895,1130 3.892,1131 3.807,1132 4.983,1133 3.804,1134 3.428,1135 3.495,1136 3.493,1137 3.238,1138 4.931,1139 3.242,1140 3.249,1141 3.315,1142 3.121,1143 2.974,1144 4.835,1145 2.98,1146 3.094,1147 3.197,1148 3.062,1149 2.908,1150 4.384,1151 2.852,1152 2.999,1153 3.098,1154 2.944,1155 2.705,1156 4.133,1157 2.73,1158 2.859,1159 2.909,1160 2.759,1161 2.685,1162 3.93,1163 2.693,1164 2.751,1165 2.814,1166 2.587,1167 2.619,1168 3.655,1169 2.593,1170 0.204,1171 0.2,1172 0.299,1173 0.184,1174 0.142,1175 4.701,1176 0.203,1177 4.595,1178 0.128,1179 6.876,1180 0.496,1181 4.23,1182 0.137,1183 3.263,1184 4.676,1185 2.95,1186 11.411,1187 3.16,1188 1.875,1189 1.861,1190 1.962,1191 1.997,1192 1.083,1193 1.968,1194 1.816,1195 1.783,1196 1.881,1197 1.952,1198 1.009,1199 1.955,1200 1.458,1201 1.435,1202 1.625,1203 1.661,1204 0.595,1205 1.663,1206 1.197,1207 1.125,1208 1.573,1209 1.512,1210 0.574,1211 1.533,1212 0.991,1213 0.95,1214 1.266,1215 1.352,1216 0.27,1217 1.342,1218 0.945,1219 0.826,1220 1.133,1221 1.32,1222 0.155,1223 1.274,1224 0.843,1225 0.787,1226 1.097,1227 1.028,1229 1.075,1230 0.765,1231 0.703,1232 0.98,1233 0.969,1235 1.009,1236 3.85,1238 5.187,1239 2.398,1240 6.725,1241 4.844,1242 8.357,1243 7.034,1244 10.037,1246 3.55,1250 11.489,1254 5.339,1255 1.45,1262 23.336,1263 62.919,1264 136.015,1265 152.015,1266 164.015,1267 166.015,1268 166.015,1269 27.235,1270 6.852,1271 100.19,1272 125.49,1273 17,1274 12.41,1275 4.087,1276 3.17,1277 32.082,1278 62,1279 55,1280 0.262,1281 148.692,1282 242.59,1283 354.568,1284 7590,1286 14.983,1287 0.713,1288 0.59,1289 15.336,1290 12.4,1291 10.097,1292 0.439,1293 0.306,1294 6.181,1295 9.203,1296 5.906,1297 4.944,1298 10.505,1299 7.044,1300 9.195,1301 0.279,1302 0.165,1303 9.837,1304 5.429,1305 7.833,1306 0.174,1307 0.093,1308 8.674,1309 4.195,1310 6.977,1311 0.114,1312 0.05,1313 7.882,1314 3.041,1315 5.065,1316 0.07,1317 0.028,1318 6,1319 2.006,1320 0.397,1321 67.988,1322 0.258,1323 20.415,1324 0.758,1325 112,1326 358.246,1327 152.313,1328 364.872,1329 506.92,1330 342,1331 134,1332 370.885,1333 171.242,1334 390.347,1335 576.02,1336 365,1337 4.255}
{0 CHEMBL598190,1 1.54,2 10.13,3 3.61,4 13.029,5 98.423,6 7.75,7 0.615,8 3.852,9 3.986,10 3.507,11 3.46,12 4.919,13 3.405,14 4.373,15 4.543,16 3.889,17 3.899,18 5.402,19 3.8,20 4.606,21 4.816,22 3.923,23 4.012,24 5.515,25 3.879,26 4.623,27 4.848,28 3.867,29 3.956,30 5.586,31 3.785,32 4.577,33 4.847,34 3.629,35 3.784,36 5.454,37 3.586,38 4.306,39 4.564,40 3.369,41 3.612,42 5.066,43 3.409,44 4.117,45 4.338,46 3.346,47 3.46,48 5.061,49 3.347,50 4.192,51 4.445,52 3.242,53 3.437,54 5.089,55 3.321,56 0.056,57 0.685,58 9.179,59 3.73,60 9.452,61 4.882,62 0.189,63 1.112,64 18.399,65 7.567,66 20.454,67 9.59,68 0.135,69 1.318,70 24.559,71 9.278,72 17.541,73 12.033,74 0.25,75 1.327,76 26.384,77 9.811,78 30.905,79 12.694,80 0.308,81 1.21,82 29.13,83 8.392,84 35.8,85 11.122,86 0.115,87 0.897,88 23.701,89 8.365,90 14.974,91 10.29,92 0.099,93 0.791,94 15.414,95 5.31,96 15.187,97 7.205,98 0.126,99 0.814,100 16.472,101 5.521,102 17.606,103 7.634,104 5,105 37,106 0.269,107 0.649,108 0.789,109 0.833,110 0.842,111 0.867,112 3.188,113 1.018,114 -5.24,115 -5.12,116 -4.79,119 40.5,121 4,125 1,139 3,140 4,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 10,169 1,170 2,172 3,173 4,175 3,178 15,180 1,182 2,187 1,189 13,191 1,195 1,196 2,197 3,198 2,200 4,201 8,204 1,205 1,207 2,212 2,215 7,218 2,226 2,229 5,234 4,239 5,241 4,243 3,246 4,251 4,254 3,256 2,260 4,265 6,268 1,270 4,273 647,274 15.74,275 15.74,276 15.74,277 15.74,278 15.74,279 13.789,280 17.312,281 9.219,282 16.159,283 12.859,284 12.859,285 12.859,286 12.859,287 12.859,288 9.821,289 16.714,290 4.396,291 13.551,292 3.853,293 1.675,294 0.875,295 0.619,296 0.571,297 0.429,298 3.89,300 1,301 1,302 1,303 520,304 2.449,306 45.036,307 167.144,310 84.935,311 94.275,314 1.365,315 14.738,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 48.5,327 233,328 4.638,329 4.439,330 6.78,331 4.153,332 3.188,333 4.608,334 3.272,335 11.108,336 3.078,337 4.276,338 3.297,339 6.183,340 3.911,341 2.922,342 3.916,344 9.226,345 2.893,346 3.719,347 3.079,348 5.345,349 3.295,350 2.381,351 3.158,353 6.853,354 2.17,355 3.56,356 2.774,357 5.218,358 3.159,359 2.237,360 2.874,362 6.518,363 2.046,364 3.405,365 2.301,366 5.063,367 2.899,368 1.98,369 2.786,371 5.79,372 1.818,373 3.048,374 2.065,375 4.755,376 2.664,377 1.719,378 2.222,380 4.963,381 1.618,382 2.923,383 1.91,384 4.413,385 2.618,386 1.618,387 2.061,389 4.364,390 1.616,391 2.483,392 1.646,393 3.622,394 2.401,395 1.409,396 1.482,398 3.017,399 1.393,400 2.306,401 1.456,402 3.589,403 1.793,404 0.876,405 1.225,407 2.13,408 0.796,409 1.985,410 0.935,411 3.286,412 1.71,413 0.75,414 0.902,415 1.782,416 0.713,417 1.726,418 0.853,419 3.123,420 1.42,421 0.534,422 0.62,423 1.304,424 0.464,425 1.121,426 0.493,427 2.69,428 0.728,429 -0.197,430 -0.241,431 -0.52,432 -0.18,433 0.939,434 -0.026,435 2.542,436 0.544,437 -0.386,438 -0.488,439 -0.995,440 -0.353,441 0.751,442 -0.296,443 2.273,444 0.382,445 -0.535,446 -0.637,448 -1.273,449 -0.487,450 0.685,451 -0.441,452 2.1,453 0.381,454 -0.618,455 -0.729,457 -1.597,458 -0.618,459 11.333,460 0.493,461 0.554,462 0.024,463 30.5,464 1.326,465 15.5,466 0.674,467 15,468 0.652,469 18.555,470 0.807,471 24.067,472 0.573,473 18.533,474 0.806,475 5.358,476 0.233,477 5.846,478 0.254,479 0.071,481 0.353,485 1.161,486 1.052,487 0.785,488 0.792,489 1.232,490 0.809,491 0.446,492 0.892,493 0.949,494 1.025,495 0.353,496 0.957,497 0.9,498 1.108,499 1.019,500 1.068,501 0.773,502 1.034,503 0.55,504 1.084,505 1.097,506 1.232,507 0.581,508 1.196,509 1.361,510 0.886,511 1.293,512 1.076,513 1.432,514 1.016,515 0.556,516 0.986,517 1.351,518 1.288,519 0.502,520 0.991,521 0.887,522 1.194,523 1.007,524 1.135,525 0.749,526 1.044,527 1.064,528 1.039,529 0.921,530 0.943,531 0.955,532 0.937,533 4.5,534 0.066,535 2.444,536 1.66,537 1.365,538 0.399,539 0.354,540 0.214,541 0.217,542 0.168,543 6247,544 14538,545 2.168,546 45.2,547 8,548 5,549 1,551 5,555 1.653,556 2.06,557 3.3,558 2.675,560 1,564 64.67,565 1.54,566 3.718,567 4.517,568 4.773,569 4.821,570 4.964,571 2.699,572 4.35,573 4.5,574 3.425,575 866.487,576 7.721,577 9867.77,578 1,579 1,581 1,582 226.477,583 1.302,584 4.469,585 0.173,586 0.005,587 0.066,588 0.046,589 0.046,590 0.019,591 0.018,592 0.01,593 0.011,594 0.009,595 0.403,596 0.17,597 1,598 0.503,599 107.974,600 -0.185,601 0.106,602 0.047,603 0.153,604 -0.188,605 0.115,606 0.374,607 0.189,608 0.037,609 0.029,610 0.347,611 0.028,612 -0.061,613 -0.095,614 -0.013,615 -0.029,616 -0.025,617 -0.041,618 0.314,619 -0.088,620 -0.019,621 -0.161,622 0.259,623 -0.195,624 -0.224,625 0.11,626 -0.074,627 0.017,628 -0.27,629 -0.03,630 0.089,631 -0.063,632 -0.019,633 -0.029,634 0.112,635 0.1,636 -0.005,637 -0.202,638 -0.052,639 -0.146,640 0.109,641 -0.062,642 -0.084,643 -0.087,644 -0.043,645 -0.036,646 -0.027,647 0.028,648 1.467,649 2.002,650 0.826,651 16.93,652 0.995,653 1.127,654 4.005,655 16.042,656 0.691,657 3.296,658 3.638,659 3.932,660 4.234,661 4.419,662 4.454,663 4.511,664 4.615,665 4.691,666 4.691,667 5.877,668 0.642,669 325.48,670 3.296,671 4.844,672 5.707,673 6.597,674 7.473,675 8.366,676 9.245,677 10.139,678 11.022,679 11.916,680 11.9,684 2,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,718 42,719 16,720 1,721 26,723 45,724 17,725 12,726 3,727 3,729 4,730 6,736 4,739 4,741 12,742 5,753 1,754 1,757 19,758 4,759 5,760 6,761 1,764 5,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,803 1,804 1,810 23,811 2,816 5,819 1,836 11.167,837 7.317,838 4.944,839 2.54,840 3.194,841 1.43,842 1.059,843 3.913,844 10.619,845 3.555,846 4.216,847 4.849,848 5.477,849 5.96,850 6.233,851 6.515,852 6.857,853 6.997,854 7.203,855 0.857,856 36,857 8.481,859 3.652,860 7.551,861 16.633,863 14.212,865 2.051,866 47.167,869 1,870 164.795,871 100.356,872 116.151,876 32.22,877 68.137,878 164.795,879 116.151,881 11.038,882 103.271,883 35.286,884 30.466,885 15.998,886 185.244,888 164.795,889 184.288,891 32.22,893 164.795,897 31.438,898 119.279,899 33.571,900 32.22,901 164.795,902 116.151,903 100.356,906 164.795,907 62.88,908 37.476,909 16.786,910 99.365,911 164.795,912 116.151,913 100.356,915 0.586,916 0.346,917 0.198,918 0.103,919 20,920 8,921 0.067,922 3,923 2,924 1.211,925 3.623,926 188.358,927 0.211,928 19,929 104.042,930 1,933 14.851,934 6.06,935 2.909,936 1.584,937 99.365,938 8.79,939 8.254,940 3.132,943 6.076,945 82.58,946 381.303,947 34,956 41.771,957 47.318,958 0.286,959 0.689,960 0.838,961 0.885,962 0.894,963 0.921,964 4.796,965 1.409,966 5.694,967 4.364,968 4.317,969 4.902,970 3.11,971 6.515,972 4.222,973 6.016,974 0.876,975 7.253,976 3.017,977 3.892,978 4.808,980 7.416,981 3.768,982 7.339,983 0.75,984 8.912,985 2.13,986 5.916,987 7.189,988 5.44,989 10.535,990 5.749,991 8.7,992 0.534,993 10.63,994 1.782,995 6.312,996 7.943,998 12.303,999 6.13,1000 10.095,1001 -0.197,1002 12.388,1003 1.304,1004 7.804,1005 9.801,1006 7.807,1007 14.936,1008 7.588,1009 11.514,1010 -0.386,1011 14.175,1012 -0.52,1013 8.595,1014 10.957,1016 17.073,1017 8.367,1018 12.952,1019 -0.535,1020 15.984,1021 -0.995,1022 9.871,1023 12.607,1024 10.177,1025 19.544,1026 9.614,1027 3.188,1028 -0.618,1029 17.81,1030 -1.273,1031 10.851,1032 13.955,1034 21.834,1035 10.577,1036 2.922,1037 11.108,1038 19.65,1039 -1.597,1040 12.039,1041 15.521,1042 12.548,1043 24.251,1044 11.738,1045 2.381,1046 9.226,1047 21.501,1048 4.608,1049 13.107,1050 16.96,1052 26.603,1053 12.782,1054 2.237,1055 6.853,1056 23.362,1057 3.916,1058 14.263,1059 18.494,1060 14.919,1061 29.005,1062 13.909,1063 1.98,1064 6.518,1065 25.231,1066 3.158,1067 15.371,1068 19.976,1070 31.384,1071 14.989,1072 1.719,1073 5.79,1074 27.106,1075 2.874,1076 16.516,1077 21.499,1078 17.29,1079 33.782,1080 16.104,1081 1.618,1082 4.963,1083 28.986,1084 2.786,1085 17.643,1086 23.001,1088 36.174,1089 17.199,1090 5806,1091 9023,1092 17.8,1093 29.006,1094 39.371,1095 42.427,1096 40.136,1097 39.231,1098 39.228,1099 51.707,1100 6.545,1101 114.108,1102 37.21,1103 5.582,1104 6.439,1105 6.467,1106 5.276,1107 5.188,1108 7.608,1109 6.545,1110 17.998,1111 5.078,1112 8.519,1113 1.514,1114 1.632,1115 1.544,1116 1.509,1117 1.509,1118 1.989,1119 0.252,1120 4.389,1121 1.431,1122 4.109,1123 4.154,1124 4.134,1125 4.008,1126 5.321,1127 4.006,1128 3.988,1129 4.019,1130 3.98,1131 3.92,1132 4.981,1133 3.921,1134 3.535,1135 3.586,1136 3.654,1137 3.471,1138 4.773,1139 3.423,1140 3.425,1141 3.506,1142 3.338,1143 3.218,1144 4.699,1145 3.23,1146 3.146,1147 3.236,1148 3.172,1149 3.016,1150 4.112,1151 2.987,1152 3.111,1153 3.203,1154 2.971,1155 2.927,1156 4.05,1157 2.894,1158 3.022,1159 3.115,1160 2.916,1161 2.754,1162 3.798,1163 2.777,1164 2.734,1165 2.812,1166 2.573,1167 2.593,1168 3.698,1169 2.576,1170 0.178,1171 0.171,1172 0.261,1173 0.16,1174 0.123,1175 4.638,1176 0.177,1177 4.439,1178 0.126,1179 6.78,1180 0.427,1181 4.153,1182 0.118,1183 3.188,1184 4.608,1185 3.272,1186 11.108,1187 3.078,1188 1.995,1189 1.97,1190 2.123,1191 2.069,1192 1.435,1193 2.092,1194 1.826,1195 1.791,1196 1.865,1197 2.007,1198 1.094,1199 1.968,1200 1.583,1201 1.534,1202 1.74,1203 1.748,1204 0.933,1205 1.761,1206 1.494,1207 1.435,1208 1.67,1209 1.651,1210 0.765,1211 1.675,1212 1.161,1213 1.091,1214 1.474,1215 1.399,1216 0.726,1217 1.401,1218 1.072,1219 0.985,1220 1.302,1221 1.35,1222 0.383,1223 1.382,1224 0.949,1225 0.854,1226 1.25,1227 1.318,1228 0.277,1229 1.323,1230 0.789,1231 0.714,1232 1.1,1233 0.989,1234 0.118,1235 1.036,1236 3.97,1238 5.303,1239 2.398,1240 6.834,1241 4.727,1242 8.46,1243 6.843,1244 10.134,1250 11.638,1252 5.876,1255 1.816,1262 26.982,1263 64.67,1264 156.139,1265 189.722,1266 200.477,1267 202.477,1268 208.477,1269 27.187,1270 7.425,1271 93.61,1272 118.91,1273 23,1274 12.444,1275 4.087,1276 3.17,1277 32.045,1278 83,1279 69,1280 0.192,1281 168.877,1282 275.55,1283 403.821,1284 17595,1286 15.811,1287 0.687,1288 0.592,1289 16.165,1290 13.619,1291 11.204,1292 0.431,1293 0.339,1294 7.86,1295 10.457,1296 7.601,1297 6.274,1298 11.658,1299 8.826,1300 10.29,1301 0.278,1302 0.189,1303 10.867,1304 6.98,1305 8.727,1306 0.175,1307 0.108,1308 9.385,1309 5.415,1310 7.826,1311 0.115,1312 0.061,1313 8.517,1314 4.159,1315 6.067,1316 0.074,1317 0.038,1318 6.886,1319 3.121,1320 0.303,1321 73.61,1322 0.237,1323 22.635,1324 0.521,1325 126,1326 299.108,1327 156.442,1328 323.01,1329 455.68,1330 304,1331 150,1332 336.353,1333 176.033,1334 357.02,1335 525.54,1336 337,1337 4.081}
{0 CHEMBL598292,1 1.798,2 8.619,3 2.694,4 7.257,5 84.618,6 8.64,7 0.696,8 3.694,9 3.801,10 3.431,11 3.243,12 4.918,13 3.227,14 4.149,15 4.29,16 3.851,17 3.601,18 5.367,19 3.568,20 4.23,21 4.358,22 3.889,23 3.708,24 5.384,25 3.641,26 4.318,27 4.459,28 3.835,29 3.66,30 5.552,31 3.575,32 4.322,33 4.528,34 3.589,35 3.562,36 5.382,37 3.457,38 4.172,39 4.378,40 3.361,41 3.465,42 5.148,43 3.328,44 4.044,45 4.254,46 3.227,47 3.271,48 5.118,49 3.203,50 4.023,51 4.252,52 3.035,53 3.113,54 5.105,55 3.047,56 0.093,57 0.55,58 6.321,59 3.062,60 10.9,61 3.306,62 0.311,63 0.819,64 13.385,65 5.522,66 24.407,67 6.002,68 0.213,69 0.927,70 15.125,71 6.115,72 15.608,73 6.158,74 0.399,75 0.952,76 19.593,77 6.984,78 31.461,79 7.339,80 0.431,81 0.912,82 19.114,83 5.799,84 37.403,85 6.504,86 0.276,87 0.775,88 19.375,89 6.668,90 17.935,91 8,92 0.195,93 0.677,94 13.504,95 4.693,96 19.627,97 5.807,98 0.33,99 0.618,100 12.394,101 3.992,102 26.869,103 5.084,104 18,105 33,106 0.327,107 0.708,108 0.801,109 0.864,110 0.864,111 0.864,112 3.104,113 0.918,114 -3.98,115 -3.93,116 -3.73,119 40,120 1,124 1,139 4,140 2,141 2,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 4,169 2,170 7,172 3,173 3,175 1,178 7,180 1,182 4,187 1,189 4,191 1,192 1,193 7,195 3,196 3,197 1,198 2,200 2,201 3,204 2,205 1,207 2,212 2,215 5,218 2,220 1,221 4,226 2,229 3,231 2,234 5,239 2,241 2,243 2,245 1,246 2,251 3,256 3,259 1,260 1,262 1,263 1,265 2,270 2,273 532,274 14.041,275 14.041,276 14.041,277 14.041,278 14.041,279 12.038,280 15.287,281 8.103,282 14.574,283 11.289,284 11.289,285 11.289,286 11.289,287 11.289,288 8.237,289 17.639,290 3.787,291 12.099,292 3.332,293 1.243,294 0.729,295 0.386,296 0.386,297 0.386,298 3.78,300 1,301 1,302 1,303 386,304 2.449,306 40.81,307 117.931,310 79.837,314 1.256,315 18.965,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 46,327 181,328 4.7,329 4.577,330 6.875,331 4.229,332 3.261,333 4.676,334 2.95,335 11.407,336 3.159,337 4.085,338 3.377,339 5.802,340 3.64,341 2.712,342 3.683,343 0.86,344 8.084,345 2.513,346 3.827,347 2.951,348 5.519,349 3.376,350 2.453,351 3.313,353 7.276,354 2.252,355 3.458,356 2.712,357 5.148,358 3.015,359 2.107,360 2.822,362 6.121,363 1.914,364 3.357,365 2.303,366 5.005,367 2.905,368 1.977,369 2.648,371 5.8,372 1.812,373 3.159,374 2.005,375 4.872,376 2.709,377 1.763,378 2.404,380 5.305,381 1.658,382 2.685,383 1.727,384 4.213,385 2.227,386 1.265,387 1.766,389 3.342,390 1.208,391 2.513,392 1.435,393 3.498,394 2.106,395 1.141,396 1.517,398 2.617,399 1.091,400 1.584,401 0.938,402 3.04,403 1.294,404 0.431,405 0.482,407 0.628,408 0.368,409 1.325,410 0.633,411 2.725,412 0.936,413 0.044,414 0.054,415 0.123,416 0.038,417 1.143,418 0.355,419 2.683,420 0.743,421 -0.185,422 -0.233,423 -0.482,424 -0.171,425 0.905,426 0.012,427 2.515,428 0.476,429 -0.444,430 -0.564,431 -1.128,432 -0.403,433 0.623,434 -0.306,435 2.273,436 0.266,437 -0.658,438 -0.787,439 -1.47,440 -0.599,441 0.57,442 -0.395,443 1.861,444 0.15,445 -0.794,446 -0.999,448 -1.89,449 -0.732,450 0.266,451 -0.611,452 1.638,453 -0.104,454 -1.05,455 -1.402,457 -2.887,458 -0.984,459 10.1,460 0.481,461 0.592,462 0.028,463 30,464 1.429,465 16,466 0.762,467 14,468 0.667,469 14.561,470 0.693,471 22.3,472 0.637,473 19.818,474 0.944,475 5.973,476 0.284,477 4.106,478 0.196,479 0.178,481 0.396,485 1.041,486 1.104,487 0.731,488 0.856,489 1.278,490 0.793,491 0.886,492 0.711,493 0.665,494 0.78,495 0.568,496 0.667,497 1.185,498 1.198,499 1.192,500 1.151,501 1.004,502 0.971,503 0.948,504 1.272,505 1.371,506 1.504,507 0.69,508 1.266,509 1.499,510 0.836,511 1.218,512 0.904,513 1.556,514 0.99,515 0.495,516 1.183,517 1.285,518 1.422,519 0.497,520 1.198,521 0.937,522 1.149,523 0.954,524 1.076,525 0.944,526 1.058,527 1.337,528 0.97,529 0.811,530 0.735,531 1.22,532 0.984,533 5,534 0.049,535 2,536 2.417,537 1.232,538 0.73,539 0.336,540 0.292,541 0.174,542 0.11,543 4122,544 12743,545 2.045,546 40,547 3,548 7,551 4,555 1.633,556 1.881,557 3.095,558 1.968,560 1,562 1,564 62.919,565 1.798,566 3.886,567 4.4,568 4.743,569 4.743,570 4.743,571 2.489,572 4.202,573 4.365,574 3.207,575 673.449,576 7.482,577 7017.95,578 1,579 1,580 1,581 1,582 179.525,583 1.51,584 4.305,585 0.217,586 0.01,587 0.061,588 0.073,589 0.042,590 0.033,591 0.017,592 0.015,593 0.012,594 0.011,595 0.491,596 0.33,597 1,598 0.874,599 93.944,600 -0.167,601 0.021,602 0.038,603 0.075,604 -0.336,605 0.074,606 0.187,607 0.331,608 0.279,609 0.234,610 0.278,611 0.265,612 -0.212,613 -0.082,614 -0.071,615 -0.007,616 -0.178,617 -0.041,618 0.163,619 -0.223,620 -0.171,621 -0.331,622 0.279,623 -0.309,624 -0.367,625 0.169,626 -0.167,627 0.094,628 -0.449,629 -0.047,630 0.216,631 -0.256,632 -0.122,633 -0.261,634 0.181,635 -0.113,636 -0.084,637 -0.206,638 -0.097,639 -0.178,640 -0.029,641 -0.084,642 -0.175,643 -0.088,644 -0.084,645 0.016,646 -0.141,647 -0.057,648 1.563,649 2.249,650 0.714,651 14.571,652 1.016,653 1.126,654 2.753,655 7.577,656 0.697,657 3.178,658 3.526,659 3.807,660 4.111,661 4.277,662 4.357,663 4.419,664 4.5,665 4.511,666 4.454,667 5.121,668 0.667,669 302.39,670 3.178,671 4.727,672 5.587,673 6.485,674 7.362,675 8.266,676 9.152,677 10.06,678 10.951,679 11.861,680 11.4,684 2,690 2,694 2,695 4,696 2,698 1,700 6,702 16,711 2,716 1,718 35,719 16,720 1,721 23,723 37,724 14,725 12,726 2,727 4,729 3,730 4,734 1,741 12,742 2,753 1,754 1,756 1,757 14,758 6,759 4,760 7,761 1,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,803 1,804 1,806 2,810 21,811 2,818 1,819 1,829 5.7,834 2,836 11.167,837 6.9,838 4.611,839 1.797,840 3.135,841 1.457,842 1.006,843 3.758,844 9.987,845 3.466,846 4.155,847 4.793,848 5.449,849 5.957,850 6.278,851 6.638,852 7.048,853 7.252,854 7.481,855 0.833,856 33,857 7.673,859 3.214,860 7.794,861 14.402,863 11.466,865 2.294,866 48.167,870 117.711,871 114.834,872 99.365,874 20.507,876 32.22,877 82.614,878 138.218,879 99.365,880 19.708,882 103.699,883 37.978,884 36.874,885 4.227,886 149.931,888 117.711,889 181.98,890 20.507,891 32.22,893 117.711,894 20.507,897 18.946,898 129.463,899 33.571,900 32.22,901 117.711,902 119.873,903 114.834,906 117.711,907 57.221,908 57.613,910 119.873,911 117.711,912 119.873,913 114.834,915 0.586,916 0.349,917 0.195,918 0.101,919 17,920 8,921 0.081,922 3,923 1,924 1.133,925 3.275,926 163.821,927 0.133,928 15,929 92.239,930 1,933 14.195,934 5.559,935 2.699,936 1.109,937 119.873,938 7.717,939 8.041,941 5.749,943 3.83,945 65.794,946 352.418,947 31,956 35.556,957 39.408,958 0.35,959 0.758,960 0.858,961 0.925,962 0.925,963 0.925,964 4.7,965 1.141,966 5.595,967 3.342,968 4.205,969 4.84,970 2.99,971 6.435,972 4.077,973 5.948,974 0.431,975 7.172,976 2.617,977 3.892,978 4.808,980 7.368,981 3.71,982 7.283,983 0.044,984 8.846,985 0.628,986 5.826,987 7.161,988 5.034,989 10.495,990 5.597,991 8.656,992 -0.185,993 10.576,994 0.123,995 6.293,996 7.935,998 12.274,999 6.029,1000 10.059,1001 -0.444,1002 12.342,1003 -0.482,1004 7.74,1005 9.795,1006 7.185,1007 14.944,1008 7.441,1009 11.484,1010 -0.658,1011 14.137,1012 -1.128,1013 8.582,1014 10.968,1016 17.106,1017 8.261,1018 12.93,1019 -0.794,1020 15.953,1021 -1.47,1022 9.843,1023 12.629,1024 9.348,1025 19.62,1026 9.494,1027 3.261,1028 -1.05,1029 17.788,1030 -1.89,1031 10.863,1032 13.999,1034 21.946,1035 10.495,1036 2.712,1037 11.407,1038 19.639,1039 -2.887,1040 12.057,1041 15.581,1042 11.511,1043 24.405,1044 11.664,1045 2.453,1046 8.084,1047 21.503,1048 4.676,1049 13.16,1050 17.043,1052 26.796,1053 12.746,1054 2.107,1055 7.276,1056 23.378,1057 3.683,1058 14.333,1059 18.595,1060 13.675,1061 29.238,1062 13.895,1063 1.977,1064 6.121,1065 25.262,1066 3.313,1067 15.474,1068 20.1,1070 31.655,1071 15.013,1072 1.763,1073 5.8,1074 27.154,1075 2.822,1076 16.644,1077 21.642,1078 15.838,1079 34.091,1080 16.158,1081 1.265,1082 5.305,1083 29.053,1084 2.648,1085 17.803,1086 23.166,1088 36.518,1089 17.292,1090 4075,1091 7299,1092 15.027,1093 24.387,1094 34.475,1095 37.404,1096 36.292,1097 34.267,1098 34.308,1099 46.731,1100 7.62,1101 101.404,1102 32.027,1103 5.476,1104 6.577,1105 6.468,1106 5.369,1107 5.261,1108 7.676,1109 5.9,1110 18.555,1111 5.159,1112 11.127,1113 1.499,1114 1.626,1115 1.578,1116 1.49,1117 1.492,1118 2.032,1119 0.331,1120 4.409,1121 1.392,1122 4.087,1123 4.102,1124 4.173,1125 3.975,1126 5.355,1127 3.98,1128 3.876,1129 3.896,1130 3.889,1131 3.807,1132 4.983,1133 3.804,1134 3.431,1135 3.496,1136 3.511,1137 3.24,1138 4.93,1139 3.244,1140 3.247,1141 3.312,1142 3.164,1143 2.991,1144 4.845,1145 2.988,1146 3.092,1147 3.196,1148 3.006,1149 2.883,1150 4.366,1151 2.841,1152 2.998,1153 3.097,1154 2.932,1155 2.705,1156 4.13,1157 2.73,1158 2.859,1159 2.908,1160 2.759,1161 2.682,1162 3.93,1163 2.693,1164 2.747,1165 2.815,1166 2.566,1167 2.612,1168 3.655,1169 2.585,1170 0.204,1171 0.199,1172 0.299,1173 0.184,1174 0.142,1175 4.7,1176 0.203,1177 4.577,1178 0.128,1179 6.875,1180 0.496,1181 4.229,1182 0.137,1183 3.261,1184 4.676,1185 2.95,1186 11.407,1187 3.159,1188 1.875,1189 1.861,1190 1.96,1191 1.997,1192 1.083,1193 1.968,1194 1.816,1195 1.784,1196 1.881,1197 1.953,1198 1.009,1199 1.955,1200 1.458,1201 1.436,1202 1.625,1203 1.662,1204 0.597,1205 1.665,1206 1.195,1207 1.124,1208 1.568,1209 1.505,1210 0.572,1211 1.527,1212 0.987,1213 0.945,1214 1.266,1215 1.352,1216 0.267,1217 1.342,1218 0.945,1219 0.826,1220 1.124,1221 1.319,1222 0.145,1223 1.273,1224 0.839,1225 0.784,1226 1.091,1227 1.024,1228 0.024,1229 1.072,1230 0.767,1231 0.702,1232 1.014,1233 0.965,1235 1.002,1236 3.85,1238 5.187,1239 2.398,1240 6.718,1241 4.844,1242 8.34,1243 7.034,1244 10.01,1246 3.555,1250 11.479,1254 5.214,1255 1.473,1262 23.336,1263 62.919,1264 136.015,1265 154.015,1266 166.015,1267 166.015,1268 166.015,1269 26.703,1270 6.852,1271 100.19,1272 125.49,1273 17,1274 12.38,1275 4.087,1276 3.17,1277 32.17,1278 64,1279 66,1280 0.253,1281 148.692,1282 242.59,1283 354.568,1284 7590,1286 14.983,1287 0.713,1288 0.59,1289 15.336,1290 12.4,1291 10.08,1292 0.438,1293 0.306,1294 6.175,1295 9.164,1296 5.898,1297 4.935,1298 10.488,1299 7.039,1300 9.289,1301 0.281,1302 0.166,1303 9.958,1304 5.489,1305 7.742,1306 0.176,1307 0.093,1308 8.514,1309 4.108,1310 6.871,1311 0.115,1312 0.049,1313 7.724,1314 2.947,1315 5.034,1316 0.071,1317 0.028,1318 5.963,1319 2.006,1320 0.387,1321 67.886,1322 0.258,1323 20.552,1324 0.72,1325 112,1326 358.246,1327 152.313,1328 365.017,1329 506.3,1330 342,1331 133,1332 369.885,1333 167.684,1334 389.507,1335 572.42,1336 364,1337 4.29}
{0 CHEMBL598293,1 1.815,2 9.391,3 2.678,4 7.169,5 91.081,6 8.524,7 0.64,8 3.801,9 3.903,10 3.519,11 3.307,12 5.026,13 3.302,14 4.27,15 4.416,16 3.93,17 3.656,18 5.469,19 3.641,20 4.32,21 4.428,22 4.015,23 3.787,24 5.52,25 3.744,26 4.46,27 4.586,28 3.969,29 3.789,30 5.698,31 3.723,32 4.531,33 4.727,34 3.758,35 3.725,36 5.583,37 3.624,38 4.384,39 4.607,40 3.513,41 3.638,42 5.304,43 3.475,44 4.248,45 4.476,46 3.396,47 3.422,48 5.278,49 3.33,50 4.13,51 4.332,52 3.3,53 3.231,54 5.252,55 3.215,56 0.121,57 0.597,58 7.268,59 3.487,60 11.802,61 3.782,62 0.425,63 0.877,64 16.049,65 6.131,66 30.268,67 6.576,68 0.341,69 0.997,70 16.155,71 6.591,72 18.564,73 6.649,74 0.476,75 1.064,76 21.491,77 7.811,78 34.397,79 8.217,80 0.627,81 1.055,82 23.262,83 7.003,84 47.002,85 7.957,86 0.352,87 0.926,88 23.936,89 8.245,90 22.799,91 10.229,92 0.361,93 0.793,94 20.853,95 6.351,96 26.941,97 7.863,98 0.376,99 0.667,100 13.263,101 4.249,102 27.58,103 5.339,104 30,105 36,106 0.323,107 0.685,108 0.763,109 0.812,110 0.821,111 0.831,112 3.189,113 0.908,114 -3.48,115 -3.46,116 -3.3,119 38.5,120 1,124 2,139 3,140 2,141 3,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 3,169 2,170 7,172 3,173 3,175 1,178 5,180 1,181 1,182 6,187 1,189 4,191 1,192 1,193 7,195 3,196 3,197 1,198 2,200 2,201 2,204 2,205 1,207 3,212 2,215 5,218 2,220 1,221 3,226 2,229 2,231 2,233 1,234 6,239 2,243 2,245 1,246 3,251 3,256 3,259 2,262 1,263 1,265 1,270 1,273 669,274 15.411,275 15.411,276 15.411,277 15.411,278 15.411,279 13.408,280 18.206,281 8.774,282 16.11,283 12.188,284 12.188,285 12.188,286 12.188,287 12.188,288 9.048,289 20.928,290 3.979,291 13.17,292 3.471,293 1.437,294 1.001,295 0.725,296 0.673,297 0.622,298 3.864,300 1,301 1,302 1,303 457,304 2.739,306 47.393,307 134.677,310 92.592,314 1.365,315 22.787,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51,327 216,328 4.7,329 4.578,330 6.875,331 4.229,332 3.261,333 4.676,334 2.95,335 11.407,336 3.159,337 4.267,338 3.394,339 6.168,340 3.837,341 2.9,342 3.913,343 0.86,344 9.142,345 2.708,346 3.865,347 3.14,348 5.766,349 3.422,350 2.52,351 3.338,352 0.86,353 7.819,354 2.27,355 3.543,356 2.871,357 5.23,358 3.111,359 2.203,360 2.881,362 6.474,363 1.978,364 3.415,365 2.306,366 5.117,367 2.945,368 2.006,369 2.785,371 5.979,372 1.878,373 3.182,374 2.182,375 4.933,376 2.722,377 1.777,378 2.442,380 5.422,381 1.67,382 2.919,383 2.005,384 4.369,385 2.521,386 1.609,387 2.057,389 4.122,390 1.461,391 2.529,392 1.726,393 4.214,394 2.149,395 1.207,396 1.537,398 3.344,399 1.124,400 1.928,401 1.233,402 3.158,403 1.602,404 0.713,405 0.841,407 1.338,408 0.626,409 1.493,410 0.937,411 2.954,412 1.213,413 0.367,414 0.401,415 0.531,416 0.308,417 1.272,418 0.688,419 2.725,420 0.919,421 0.038,422 0.045,423 0.086,424 0.032,425 1.143,426 0.409,427 2.572,428 0.744,429 -0.183,430 -0.229,431 -0.467,432 -0.17,433 0.915,434 0.018,435 2.477,436 0.508,437 -0.404,438 -0.507,439 -0.907,440 -0.363,441 0.654,442 -0.171,443 2.321,444 0.309,445 -0.593,446 -0.689,448 -1.322,449 -0.528,450 0.576,451 -0.307,452 2.166,453 0.152,454 -0.786,455 -0.955,457 -1.946,458 -0.717,459 10.933,460 0.475,461 0.644,462 0.028,463 32,464 1.391,465 16.5,466 0.717,467 15.5,468 0.674,469 17.079,470 0.743,471 25.067,472 0.643,473 22.5,474 0.978,475 6.473,476 0.281,477 4.555,478 0.198,479 0.21,481 0.412,485 1.027,486 1.192,487 0.734,488 0.946,489 1.23,490 0.851,491 1.083,492 0.662,493 0.672,494 0.703,495 0.708,496 0.583,497 1.075,498 1.225,499 1.141,500 1.159,501 0.928,502 0.954,503 1.036,504 1.318,505 1.35,506 1.511,507 0.754,508 1.295,509 1.502,510 0.856,511 1.189,512 0.912,513 1.559,514 1.052,515 0.412,516 1.166,517 1.212,518 1.386,519 0.47,520 1.201,521 0.658,522 1.101,523 1.153,524 1.215,525 0.731,526 0.982,527 1.351,528 1.033,529 0.762,530 0.784,531 1.183,532 0.933,533 5.5,534 0.102,535 2.667,536 2.604,537 1.543,538 0.848,539 0.416,540 0.352,541 0.27,542 0.182,543 5252,544 16781,545 2.016,546 41,547 3,548 9,551 4,555 1.658,556 1.84,557 3.209,558 1.908,559 1,560 1,562 1,564 70.772,565 1.815,566 3.849,567 4.285,568 4.561,569 4.612,570 4.663,571 2.644,572 4.263,573 4.497,574 3.332,575 842.906,576 7.743,577 9446.36,578 1,579 1,580 1,581 1,582 206.131,583 1.538,584 4.428,585 0.22,586 0.01,587 0.074,588 0.069,589 0.045,590 0.034,591 0.019,592 0.016,593 0.014,594 0.012,595 0.513,596 0.17,597 1,598 0.982,599 106.85,600 -0.155,601 -0.039,602 0.044,603 0.024,604 -0.3,605 0.046,606 0.052,607 0.378,608 0.294,609 0.323,610 0.195,611 0.36,612 -0.081,613 -0.063,614 -0.042,615 0.01,616 -0.085,617 -0.02,618 0.044,619 -0.239,620 -0.208,621 -0.343,622 0.193,623 -0.339,624 -0.365,625 0.131,626 -0.176,627 0.069,628 -0.485,629 -0.112,630 0.201,631 -0.232,632 -0.04,633 -0.205,634 0.172,635 -0.087,636 0.133,637 -0.146,638 -0.035,639 -0.139,640 0.145,641 0.065,642 -0.172,643 -0.122,644 -0.041,645 -0.029,646 -0.103,647 -0.03,648 1.577,649 2.274,650 0.652,651 17.236,652 1.02,653 1.129,654 2.25,655 5.06,656 0.682,657 3.258,658 3.611,659 3.912,660 4.205,661 4.369,662 4.454,663 4.522,664 4.625,665 4.663,666 4.682,667 5.55,668 0.656,669 332.42,670 3.258,671 4.812,672 5.68,673 6.581,674 7.465,675 8.37,676 9.26,677 10.168,678 11.062,679 11.97,680 10.3,684 2,690 2,694 2,695 3,696 2,698 1,700 7,702 16,711 2,716 2,718 39,719 16,720 1,721 25,723 41,724 15,725 12,726 3,727 3,729 3,730 4,734 1,741 12,742 3,753 1,754 1,756 1,757 16,758 7,759 4,760 8,761 1,764 4,769 0.667,770 3,776 1,780 1,781 2,784 1,802 2,803 1,804 1,806 3,810 23,811 2,818 2,819 1,829 7.7,834 3,836 12.5,837 7.983,838 5.139,839 1.957,840 3.146,841 1.447,842 0.985,843 4.454,844 10.188,845 3.526,846 4.216,847 4.865,848 5.509,849 6.02,850 6.348,851 6.701,852 7.112,853 7.346,854 7.646,855 1,856 38,857 8.404,859 3.493,860 7.819,861 15.711,863 12.358,865 2.319,866 53.333,870 141.253,871 121.484,872 99.365,874 31.507,876 32.22,877 89.265,878 172.76,879 99.365,880 30.591,882 94.223,883 37.978,884 53.117,885 4.227,886 173.473,888 141.253,889 188.63,890 31.507,891 32.22,893 141.253,894 31.507,897 18.946,898 136.113,899 33.571,900 32.22,901 141.253,902 130.873,903 121.484,906 141.253,907 62.464,908 59.02,910 130.873,911 141.253,912 130.873,913 121.484,915 0.585,916 0.361,917 0.203,918 0.102,919 18,920 9,921 0.098,922 4,923 1,924 1.133,925 3.412,926 185.807,927 0.133,928 15,929 104.042,930 1,933 16.079,934 6.371,935 3.006,936 1.067,937 130.873,938 5.632,939 8.054,941 5.774,943 4.204,945 65.794,946 393.61,947 33,956 39.767,957 44.033,958 0.343,959 0.728,960 0.811,961 0.863,962 0.873,963 0.882,964 4.771,965 1.207,966 5.694,967 4.122,968 4.29,969 4.902,970 3.062,971 6.55,972 4.15,973 6.021,974 0.713,975 7.286,976 3.344,977 4.007,978 4.913,980 7.526,981 3.821,982 7.364,983 0.367,984 8.973,985 1.338,986 5.932,987 7.232,988 5.041,989 10.639,990 5.687,991 8.744,992 0.038,993 10.714,994 0.531,995 6.431,996 8.04,998 12.431,999 6.153,1000 10.154,1001 -0.183,1002 12.49,1003 0.086,1004 7.865,1005 9.874,1006 7.186,1007 15.084,1008 7.545,1009 11.586,1010 -0.404,1011 14.292,1012 -0.467,1013 8.726,1014 11.062,1016 17.237,1017 8.381,1018 13.036,1019 -0.593,1020 16.113,1021 -0.907,1022 9.977,1023 12.707,1024 9.348,1025 19.734,1026 9.6,1027 3.261,1028 -0.786,1029 17.95,1030 -1.322,1031 11.004,1032 14.079,1034 22.044,1035 10.603,1036 2.9,1037 11.407,1038 19.8,1039 -1.946,1040 12.19,1041 15.65,1042 11.511,1043 24.489,1044 11.762,1045 2.52,1046 9.142,1047 21.661,1048 4.676,1049 13.292,1050 17.109,1052 26.866,1053 12.84,1054 2.203,1055 7.819,1056 23.531,1057 3.913,1058 14.458,1059 18.652,1060 13.675,1061 29.297,1062 13.98,1063 2.006,1064 6.474,1065 25.409,1066 3.338,1067 15.593,1068 20.152,1070 31.703,1071 15.091,1072 1.777,1073 5.979,1074 27.294,1075 2.881,1076 16.756,1077 21.688,1078 15.838,1079 34.131,1080 16.228,1081 1.609,1082 5.422,1083 29.185,1084 2.785,1085 17.908,1086 23.207,1088 36.551,1089 17.356,1090 5222,1091 9472,1092 16.126,1093 26.602,1094 37.282,1095 40.598,1096 39.97,1097 37.104,1098 37.199,1099 49.831,1100 9.34,1101 111.328,1102 34.428,1103 5.479,1104 6.578,1105 6.429,1106 5.374,1107 5.261,1108 7.676,1109 5.9,1110 18.556,1111 5.159,1112 13.406,1113 1.491,1114 1.624,1115 1.599,1116 1.484,1117 1.488,1118 1.993,1119 0.374,1120 4.453,1121 1.377,1122 4.088,1123 4.103,1124 4.175,1125 3.975,1126 5.355,1127 3.981,1128 3.891,1129 3.902,1130 3.902,1131 3.808,1132 4.983,1133 3.811,1134 3.435,1135 3.498,1136 3.54,1137 3.246,1138 4.945,1139 3.248,1140 3.247,1141 3.314,1142 3.192,1143 3.021,1144 4.898,1145 3.013,1146 3.245,1147 3.307,1148 3.051,1149 2.951,1150 4.496,1151 2.958,1152 3.087,1153 3.194,1154 2.976,1155 2.801,1156 4.292,1157 2.8,1158 2.995,1159 3.093,1160 2.847,1161 2.702,1162 4.121,1163 2.706,1164 2.804,1165 2.869,1166 2.759,1167 2.663,1168 3.929,1169 2.654,1170 0.188,1171 0.183,1172 0.275,1173 0.169,1174 0.13,1175 4.7,1176 0.187,1177 4.578,1178 0.118,1179 6.875,1180 0.456,1181 4.229,1182 0.126,1183 3.261,1184 4.676,1185 2.95,1186 11.407,1187 3.159,1188 1.87,1189 1.862,1190 1.936,1191 1.997,1192 1.084,1193 1.966,1194 1.815,1195 1.784,1196 1.88,1197 1.962,1198 1.009,1199 1.954,1200 1.459,1201 1.438,1202 1.626,1203 1.664,1204 0.599,1205 1.666,1206 1.198,1207 1.131,1208 1.576,1209 1.524,1210 0.574,1211 1.539,1212 1.191,1213 1.114,1214 1.557,1215 1.483,1216 0.57,1217 1.512,1218 0.964,1219 0.917,1220 1.266,1221 1.352,1222 0.223,1223 1.342,1224 0.944,1225 0.825,1226 1.11,1227 1.316,1228 0.138,1229 1.267,1230 0.818,1231 0.754,1232 1.091,1233 1.003,1235 1.048,1236 3.932,1238 5.273,1239 2.398,1240 6.812,1241 4.844,1242 8.445,1243 7.034,1244 10.125,1246 5.1,1250 11.518,1254 10.546,1255 1.437,1262 25.578,1263 70.772,1264 150.092,1265 167.111,1266 177.866,1267 179.866,1268 181.866,1269 32.4,1270 7.041,1271 109.42,1272 134.72,1273 17,1274 12.489,1275 4.087,1276 3.17,1277 36.865,1278 77,1279 75,1280 0.242,1281 162.28,1282 268.68,1283 387.724,1284 9570,1286 16.56,1287 0.72,1288 0.597,1289 16.914,1290 13.731,1291 11.028,1292 0.441,1293 0.303,1294 6.662,1295 9.964,1296 6.341,1297 5.321,1298 11.437,1299 7.568,1300 9.998,1301 0.278,1302 0.162,1303 10.666,1304 5.827,1305 8.57,1306 0.175,1307 0.09,1308 9.343,1309 4.422,1310 7.56,1311 0.115,1312 0.048,1313 8.388,1314 3.143,1315 5.526,1316 0.071,1317 0.028,1318 6.501,1319 2.164,1320 0.373,1321 74.694,1322 0.249,1323 22.312,1324 0.678,1325 122,1326 413.982,1327 165.191,1328 411.238,1329 567.29,1330 386,1331 146,1332 411.43,1333 184.117,1334 431.022,1335 633.81,1336 401,1337 4.177}
{0 CHEMBL598604,1 1.52,2 10.852,3 3.19,4 10.177,5 108.883,6 8.078,7 0.839,8 3.926,9 4.044,10 3.569,11 3.517,12 5.11,13 3.516,14 4.395,15 4.532,16 3.956,17 3.929,18 5.569,19 3.907,20 4.615,21 4.789,22 3.998,23 4.048,24 5.676,25 4.001,26 4.695,27 4.889,28 3.928,29 4.011,30 5.803,31 3.935,32 4.681,33 4.915,34 3.681,35 3.913,36 5.665,37 3.809,38 4.532,39 4.775,40 3.603,41 3.822,42 5.437,43 3.715,44 4.425,45 4.64,46 3.611,47 3.743,48 5.428,49 3.662,50 4.388,51 4.614,52 3.554,53 3.64,54 5.418,55 3.574,56 0.057,57 0.681,58 7.742,59 3.436,60 11.17,61 4.106,62 0.21,63 1.073,64 13.344,65 6.142,66 20.878,67 7.639,68 0.112,69 1.305,70 18.048,71 7.656,72 16.82,73 9.881,74 0.38,75 1.368,76 21.11,77 8.54,78 38.945,79 11.278,80 0.391,81 1.326,82 23.207,83 8.313,84 42.753,85 10.815,86 0.159,87 1.114,88 20.059,89 7.978,90 24.145,91 11.011,92 0.149,93 1.011,94 17.011,95 6.958,96 22.564,97 9.253,98 0.177,99 0.976,100 17.081,101 6.272,102 25.036,103 8.267,104 5,105 45,106 0.256,107 0.572,108 0.711,109 0.82,110 0.856,111 0.875,112 3.341,113 0.835,114 -5.08,115 -4.98,116 -4.67,119 47.7,125 1,139 9,140 6,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 15,169 2,170 4,172 3,173 3,175 4,178 19,180 1,182 2,187 5,189 18,191 1,192 1,195 3,196 4,197 1,198 4,200 2,201 14,204 1,205 1,210 2,211 1,212 3,214 1,215 13,218 1,221 2,226 2,229 11,234 7,238 1,239 3,240 1,241 7,243 2,246 9,251 3,254 4,256 3,260 8,265 5,268 3,270 5,273 1027,274 18.602,275 18.602,276 18.602,277 18.602,278 18.602,279 15.572,280 16.037,281 10.82,282 18.834,283 15.341,284 15.341,285 15.341,286 15.341,287 15.341,288 10.757,289 25.266,290 5.149,291 15.729,292 3.939,293 2.067,294 1.245,295 0.597,296 0.381,297 0.273,298 4.057,300 1,301 1,302 1,303 664,304 2.646,306 49.153,307 221.593,310 93.163,311 174.842,314 1.435,315 19.468,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 57.5,327 293,328 4.641,329 3.275,330 6.781,331 4.169,332 3.192,333 4.636,334 0.657,335 11.109,336 3.129,337 4.608,338 3.151,339 6.58,340 4.121,341 3.127,342 4.607,344 10.509,345 3.103,346 4.141,347 2.726,348 6.053,349 3.667,350 2.676,351 3.916,353 8.722,354 2.653,355 3.711,356 2.505,357 5.32,358 3.274,359 2.339,360 3.157,362 6.723,363 2.185,364 3.481,365 2.151,366 5.185,367 3.034,368 2.056,369 2.905,371 6.212,372 2.008,373 3.405,374 2.065,375 5.063,376 2.923,377 1.98,378 2.788,380 5.79,381 1.866,382 3.136,383 1.909,384 4.765,385 2.715,386 1.746,387 2.413,389 5.015,390 1.687,391 3.039,392 1.656,393 4.539,394 2.606,395 1.617,396 2.226,398 4.58,399 1.594,400 2.911,401 1.432,402 3.93,403 2.42,404 1.422,405 2.108,407 3.232,408 1.418,409 2.825,410 1.33,411 3.619,412 2.327,413 1.328,414 1.986,415 2.967,416 1.327,417 2.315,418 0.989,419 3.589,420 1.865,421 0.89,422 1.239,423 2.165,424 0.866,425 2.158,426 0.834,427 3.376,428 1.732,429 0.759,430 1.03,431 1.93,432 0.737,433 1.76,434 0.522,435 3.073,436 1.403,437 0.431,438 0.565,439 1.063,440 0.418,441 1.219,442 0.002,443 2.701,444 0.802,445 -0.163,446 -0.212,448 -0.428,449 -0.156,450 1.09,451 -0.244,452 2.684,453 0.627,454 -0.324,455 -0.445,457 -0.865,458 -0.308,459 12.833,460 0.475,461 0.657,462 0.024,463 41.5,464 1.537,465 23.5,466 0.87,467 18,468 0.667,469 17.407,470 0.645,471 26.767,472 0.608,473 29.503,474 1.093,475 8.24,476 0.305,477 4.946,478 0.183,479 0.062,481 0.39,485 1.069,486 1.005,487 0.749,488 0.799,489 1.24,490 0.73,491 0.69,492 0.836,493 0.759,494 0.888,495 0.515,496 0.852,497 0.87,498 1.159,499 0.924,500 1.076,501 0.812,502 1.015,503 0.727,504 1.105,505 1.064,506 1.184,507 0.646,508 1.184,509 1.284,510 0.767,511 1.249,512 0.939,513 1.286,514 1.065,515 0.664,516 0.889,517 0.907,518 0.974,519 0.683,520 0.972,521 0.846,522 0.979,523 0.933,524 1.059,525 0.764,526 1.024,527 1.21,528 1.016,529 0.961,530 0.96,531 1.011,532 0.933,533 5,534 0.16,535 3.111,536 2.035,537 1.849,538 0.629,539 0.4,540 0.29,541 0.261,542 0.215,543 9584,544 24807,545 2.208,546 38.6,548 11,549 1,551 5,555 1.7,556 2.104,557 3.392,558 2.474,559 1,560 1,564 66.88,565 1.52,566 3.392,567 4.214,568 4.863,569 5.079,570 5.187,571 2.82,572 4.607,573 4.732,574 3.525,575 1237.3,576 8.203,577 15619.1,579 1,581 1,582 240.215,583 1.28,584 4.703,585 0.161,586 0.008,587 0.069,588 0.044,589 0.046,590 0.02,591 0.013,592 0.01,593 0.009,594 0.009,595 0.39,596 0.17,597 0.88,598 0.454,599 133.188,600 -0.162,601 0.091,602 0.02,603 0.115,604 -0.292,605 0.105,606 0.235,607 0.206,608 0.058,609 0.06,610 0.221,611 0.032,612 -0.066,613 -0.149,614 -0.048,615 -0.115,616 -0.072,617 -0.083,618 0.3,619 -0.126,620 -0.118,621 -0.214,622 0.246,623 -0.231,624 -0.173,625 0.209,626 -0.228,627 0.036,628 -0.246,629 -0.081,630 0.021,631 0.02,632 0.101,633 0.058,634 0.03,635 0.089,636 0.035,637 -0.052,638 0.044,639 -0.046,640 0.056,641 -0.009,642 -0.102,643 -0.064,644 0.06,645 0.028,646 -0.017,647 0.062,648 1.56,649 2.005,650 0.852,651 20.782,652 1.003,653 1.118,654 3.854,655 14.854,656 0.706,657 3.466,658 3.829,659 4.159,660 4.489,661 4.727,662 4.828,663 4.956,664 5.106,665 5.226,666 5.242,667 6.273,668 0.681,669 355.43,670 3.466,671 5.03,672 5.911,673 6.815,674 7.708,675 8.615,676 9.512,677 10.42,678 11.319,679 12.227,680 11.4,684 2,685 1,690 2,694 6,695 10,696 2,698 1,700 4,702 26,711 2,712 1,718 44,719 26,720 3,721 31,723 48,724 21,725 20,726 5,727 9,729 5,730 9,741 20,742 1,754 1,756 1,757 17,758 6,759 5,760 6,764 5,769 0.4,770 1,776 1,780 1,781 4,784 1,785 2,802 2,810 27,811 2,816 1,817 1,829 2.3,834 1,836 12.833,837 7.817,838 5.75,839 2.457,840 5.536,841 1.672,842 1.098,843 3.708,844 13.775,845 3.807,846 4.541,847 5.254,848 5.952,849 6.566,850 6.98,851 7.436,852 7.91,853 8.301,854 8.499,855 1,856 46,857 9.902,859 4.321,860 7.654,861 18.955,863 16.024,865 2.154,866 58.167,869 1,870 141.253,871 126.573,872 117.376,874 9.507,877 126.573,878 150.761,879 117.376,881 2.106,882 162.82,883 55.989,884 28.314,885 15.998,886 129.482,888 141.253,889 243.949,890 9.507,893 141.253,894 9.507,897 8.412,898 183.955,899 51.582,901 141.253,902 126.884,903 126.573,906 141.253,907 29.547,908 97.026,909 18.011,910 108.873,911 141.253,912 126.884,913 126.573,915 0.59,916 0.354,917 0.206,918 0.111,919 25,920 10,921 0.063,922 3,923 3,924 1.261,925 3.941,926 246.464,927 0.261,928 23,929 128.382,933 16.062,934 6.233,935 2.775,936 5.888,937 126.884,938 20.643,939 8.119,941 5.493,943 2.365,945 83.805,946 394.71,947 44,956 44.138,957 49.192,958 0.278,959 0.621,960 0.772,961 0.891,962 0.93,963 0.95,964 5.04,965 1.617,966 5.905,967 5.015,968 4.511,969 5.228,970 0.623,971 6.756,972 4.465,973 6.293,974 1.422,975 7.483,976 4.58,977 4.111,978 5.173,980 7.706,981 4.044,982 7.633,983 1.328,984 9.16,985 3.232,986 6.138,987 7.617,988 0.317,989 10.843,990 6.057,991 9.013,992 0.89,993 10.897,994 2.967,995 6.567,996 8.41,998 12.64,999 6.475,1000 10.425,1001 0.759,1002 12.672,1003 2.165,1004 8.059,1005 10.309,1006 0.149,1007 15.286,1008 7.954,1009 11.862,1010 0.431,1011 14.475,1012 1.93,1013 8.879,1014 11.501,1016 17.431,1017 8.766,1018 13.317,1019 -0.163,1020 16.298,1021 1.063,1022 10.158,1023 13.178,1024 0.067,1025 19.907,1026 10.032,1027 3.192,1028 -0.324,1029 18.136,1030 -0.428,1031 11.16,1032 14.555,1034 22.194,1035 11.024,1036 3.127,1037 11.109,1038 19.986,1039 -0.865,1040 12.354,1041 16.14,1042 0.03,1043 24.611,1044 12.205,1045 2.676,1046 10.509,1047 21.846,1048 4.636,1049 13.436,1050 17.6,1052 26.956,1053 13.276,1054 2.339,1055 8.722,1056 23.712,1057 4.607,1058 14.598,1059 19.149,1060 0.013,1061 29.352,1062 14.425,1063 2.056,1064 6.723,1065 25.585,1066 3.916,1067 15.717,1068 20.646,1070 31.722,1071 15.53,1072 1.98,1073 6.212,1074 27.463,1075 3.157,1076 16.868,1077 22.18,1078 0.006,1079 34.113,1080 16.667,1081 1.746,1082 5.79,1083 29.344,1084 2.905,1085 18.003,1086 23.694,1088 36.494,1089 17.788,1090 8735,1091 14208,1092 21.383,1093 31.051,1094 47.356,1095 47.179,1096 48.261,1097 47.181,1098 47.125,1099 67.148,1100 1.315,1101 140.037,1102 45.981,1103 5.481,1104 5.275,1105 6.465,1106 5.241,1107 5.192,1108 7.636,1109 1.315,1110 18.019,1111 5.129,1112 9.573,1113 1.528,1114 1.522,1115 1.557,1116 1.522,1117 1.52,1118 2.166,1119 0.042,1120 4.517,1121 1.483,1122 4.176,1123 4.195,1124 4.139,1125 4.137,1126 5.363,1127 4.134,1128 4.069,1129 4.089,1130 4.05,1131 3.923,1132 4.987,1133 3.952,1134 3.773,1135 3.806,1136 3.71,1137 3.713,1138 4.97,1139 3.708,1140 3.452,1141 3.526,1142 3.377,1143 3.229,1144 4.943,1145 3.256,1146 3.229,1147 3.286,1148 3.136,1149 3.113,1150 4.622,1151 3.104,1152 3.177,1153 3.229,1154 3.067,1155 3.054,1156 4.166,1157 3.055,1158 3.082,1159 3.197,1160 2.971,1161 2.82,1162 4.107,1163 2.84,1164 3.024,1165 3.09,1166 2.879,1167 2.727,1168 4.012,1169 2.771,1170 0.15,1171 0.106,1172 0.219,1173 0.134,1174 0.103,1175 4.641,1176 0.15,1177 3.275,1178 0.021,1179 6.781,1180 0.358,1181 4.169,1182 0.101,1183 3.192,1184 4.636,1185 0.657,1186 11.109,1187 3.129,1188 2.152,1189 2.136,1190 2.22,1191 2.199,1192 1.383,1193 2.207,1194 1.832,1195 1.799,1196 1.919,1197 1.999,1198 1.084,1199 1.964,1200 1.769,1201 1.741,1202 1.853,1203 1.874,1204 0.971,1205 1.879,1206 1.478,1207 1.441,1208 1.63,1209 1.703,1210 0.639,1211 1.69,1212 1.216,1213 1.173,1214 1.415,1215 1.401,1216 0.48,1217 1.383,1218 1.157,1219 1.116,1220 1.339,1221 1.356,1222 0.418,1223 1.355,1224 0.982,1225 0.925,1226 1.262,1227 1.328,1228 0.213,1229 1.325,1230 0.956,1231 0.859,1232 1.207,1233 1.235,1234 0.105,1235 1.251,1236 4.143,1238 5.493,1239 2.398,1240 7.047,1241 4.727,1242 8.699,1243 6.843,1244 10.401,1250 11.634,1252 0.538,1253 3.486,1262 29.983,1263 66.88,1264 149.247,1265 185.421,1266 213.95,1267 223.46,1268 228.215,1269 31.087,1270 8.238,1271 102.99,1272 102.99,1273 29,1274 12.745,1275 4.755,1276 3.807,1277 35.833,1278 103,1279 96,1280 0.17,1281 181.009,1282 290.31,1283 433.422,1284 48938,1286 18.38,1287 0.681,1288 0.535,1289 18.38,1290 14.438,1291 13.187,1292 0.425,1293 0.278,1294 8.534,1295 12.797,1296 8.37,1297 6.92,1298 13.187,1299 8.633,1300 12.197,1301 0.271,1302 0.144,1303 12.197,1304 6.488,1305 10.649,1306 0.169,1307 0.076,1308 10.649,1309 4.771,1310 9.707,1311 0.11,1312 0.04,1313 9.707,1314 3.488,1315 7.83,1316 0.07,1317 0.021,1318 7.83,1319 2.39,1320 0.267,1321 81.876,1322 0.216,1323 25.756,1324 0.469,1325 152,1326 397.983,1327 163.758,1328 397.601,1329 566.26,1330 374,1331 184,1332 442.378,1333 195.647,1334 452.205,1335 667.17,1336 427,1337 4.292}
{0 CHEMBL598605,1 1.53,2 11,3 3.036,4 9.22,5 104.798,6 7.987,7 0.733,8 3.906,9 4.026,10 3.541,11 3.486,12 5.069,13 3.486,14 4.394,15 4.537,16 3.937,17 3.912,18 5.541,19 3.888,20 4.595,21 4.773,22 3.942,23 4.009,24 5.629,25 3.957,26 4.681,27 4.884,28 3.864,29 3.97,30 5.759,31 3.884,32 4.632,33 4.88,34 3.544,35 3.803,36 5.604,37 3.687,38 4.44,39 4.702,40 3.413,41 3.653,42 5.304,43 3.533,44 4.263,45 4.496,46 3.407,47 3.505,48 5.249,49 3.43,50 4.174,51 4.393,52 3.359,53 3.461,54 5.192,55 3.399,56 0.057,57 0.677,58 7.828,59 3.406,60 10.626,61 4.15,62 0.214,63 1.078,64 13.849,65 6.248,66 20.862,67 7.891,68 0.118,69 1.281,70 18.08,71 7.518,72 15.602,73 9.828,74 0.378,75 1.328,76 21.553,77 8.627,78 38.35,79 11.619,80 0.395,81 1.239,82 22.92,83 7.831,84 42.462,85 10.442,86 0.157,87 0.992,88 19.237,89 7.294,90 23.678,91 10.314,92 0.171,93 0.854,94 15.369,95 5.673,96 22.001,97 7.681,98 0.166,99 0.809,100 13.378,101 4.635,102 20.984,103 6.128,104 5,105 44,106 0.261,107 0.632,108 0.769,109 0.871,110 0.895,111 0.895,112 3.304,113 0.843,114 -4.93,115 -4.84,116 -4.54,119 46.5,121 1,125 1,139 7,140 6,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 14,169 2,170 4,172 3,173 3,175 4,178 19,180 1,182 2,187 4,189 17,191 1,192 1,195 3,196 4,197 1,198 3,200 2,201 13,204 1,205 1,210 2,211 1,212 3,214 1,215 9,218 1,221 2,226 2,229 5,234 6,238 1,239 4,240 1,241 4,243 2,246 6,251 2,254 4,256 2,260 6,265 4,268 4,270 4,273 886,274 17.894,275 17.894,276 17.894,277 17.894,278 17.894,279 15.255,280 23.313,281 10.351,282 18.131,283 14.847,284 14.847,285 14.847,286 14.847,287 14.847,288 10.829,289 37.477,290 4.938,291 15.24,292 3.896,293 1.721,294 0.922,295 0.326,296 0.186,297 0.186,298 4.02,300 1,301 1,302 1,303 653,304 2.646,306 91.802,307 174.599,310 256.762,314 1.538,315 19.199,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 55.5,327 286,328 4.638,329 3.36,330 6.78,331 4.21,332 3.211,333 4.608,334 0.68,335 11.11,336 3.207,337 4.55,338 3.268,339 6.756,340 4.164,341 3.186,342 4.24,343 0.657,344 11.097,345 3.116,346 3.912,347 2.686,348 5.663,349 3.504,350 2.528,351 3.48,353 7.618,354 2.47,355 3.706,356 2.47,357 5.326,358 3.262,359 2.324,360 3.154,362 6.721,363 2.177,364 3.419,365 2.175,366 5.186,367 3.015,368 2.037,369 2.792,371 6.232,372 1.987,373 3.397,374 2.066,375 5.063,376 2.922,377 1.979,378 2.729,380 5.79,381 1.865,382 3.07,383 2.005,384 4.847,385 2.764,386 1.766,387 2.243,389 5.26,390 1.762,391 3.044,392 1.899,393 4.748,394 2.668,395 1.703,396 2.22,398 4.94,399 1.636,400 2.826,401 1.415,402 3.818,403 2.364,404 1.365,405 1.972,407 3.044,408 1.364,409 2.59,410 1.142,411 3.6,412 2.108,413 1.112,414 1.633,415 2.738,416 1.107,417 2.305,418 0.922,419 3.589,420 1.839,421 0.86,422 1.222,423 2.121,424 0.84,425 1.856,426 0.773,427 3.266,428 1.566,429 0.614,430 0.739,431 1.537,432 0.583,433 1.596,434 0.499,435 3.031,436 1.312,437 0.319,438 0.396,439 0.8,440 0.316,441 1.118,442 -0.012,443 2.694,444 0.722,445 -0.217,446 -0.273,448 -0.587,449 -0.203,450 0.93,451 -0.278,452 2.569,453 0.524,454 -0.423,455 -0.545,457 -1.129,458 -0.397,459 12.333,460 0.474,461 0.657,462 0.025,463 39,464 1.5,465 21.5,466 0.827,467 17.5,468 0.673,469 17.239,470 0.663,471 26.067,472 0.606,473 26.647,474 1.025,475 7.681,476 0.295,477 5.005,478 0.193,479 0.065,481 0.405,485 1.067,486 1.027,487 0.755,488 0.817,489 1.216,490 0.743,491 0.674,492 0.837,493 0.75,494 0.888,495 0.493,496 0.849,497 0.886,498 1.171,499 0.976,500 1.117,501 0.835,502 1.064,503 0.669,504 1.1,505 1.053,506 1.206,507 0.604,508 1.201,509 1.314,510 0.79,511 1.277,512 0.965,513 1.314,514 1.092,515 0.661,516 0.915,517 0.886,518 0.984,519 0.681,520 0.969,521 1.018,522 0.98,523 0.905,524 0.957,525 0.784,526 0.93,527 1.293,528 0.942,529 1.089,530 0.912,531 1.263,532 0.949,533 5,534 0.17,535 2.889,536 2.549,537 1.275,538 0.626,539 0.455,540 0.19,541 0.258,542 0.168,543 9175,544 23260,545 2.216,546 39.5,547 2,548 9,549 1,551 5,555 1.685,556 2.108,557 3.416,558 2.52,559 1,560 1,564 65.794,565 1.53,566 3.705,567 4.504,568 5.101,569 5.24,570 5.24,571 2.874,572 4.47,573 4.677,574 3.57,575 1160.3,576 8.071,577 14487.2,579 1,581 1,582 233.329,583 1.296,584 4.648,585 0.167,586 0.009,587 0.066,588 0.059,589 0.034,590 0.024,591 0.019,592 0.008,593 0.011,594 0.008,595 0.404,596 0.17,597 0.88,598 0.465,599 127.705,600 -0.162,601 0.086,602 0.023,603 0.115,604 -0.26,605 0.108,606 0.237,607 0.214,608 0.08,609 0.078,610 0.24,611 0.054,612 -0.086,613 -0.152,614 -0.098,615 -0.148,616 -0.098,617 -0.126,618 0.32,619 -0.138,620 -0.099,621 -0.221,622 0.282,623 -0.229,624 -0.173,625 0.175,626 -0.24,627 0.004,628 -0.241,629 -0.108,630 0.051,631 -0.027,632 0.15,633 0.05,634 0.062,635 0.106,636 0.004,637 -0.045,638 0.111,639 0.039,640 0.122,641 0.079,642 -0.227,643 0.071,644 -0.112,645 0.037,646 -0.236,647 -0.002,648 1.554,649 1.975,650 0.846,651 21.006,652 1.003,653 1.121,654 3.704,655 13.717,656 0.699,657 3.434,658 3.807,659 4.143,660 4.489,661 4.691,662 4.796,663 4.927,664 5.063,665 5.063,666 5.187,667 6.462,668 0.674,669 343.42,670 3.434,671 5.004,672 5.889,673 6.799,674 7.697,675 8.611,676 9.513,677 10.427,678 11.331,679 12.246,680 11.6,684 2,685 1,690 2,694 2,695 8,696 2,698 1,700 8,702 22,711 2,712 1,718 43,719 22,720 2,721 30,723 47,724 20,725 18,726 5,727 7,729 5,730 9,736 1,739 1,741 18,742 2,753 1,754 1,756 1,757 17,758 6,759 5,760 6,764 5,769 0.4,770 1,776 1,780 2,781 3,784 3,802 2,810 26,811 2,816 2,817 1,829 2.3,834 1,836 12.333,837 7.65,838 5.5,839 2.429,840 4.417,841 1.542,842 1.096,843 3.45,844 12.571,845 3.738,846 4.434,847 5.102,848 5.768,849 6.298,850 6.627,851 7.026,852 7.433,853 7.6,854 7.927,855 1,856 43,857 9.548,859 4.189,860 7.641,861 18.357,863 15.693,865 2.141,866 55.667,869 1,870 141.253,871 112.605,872 117.376,874 9.507,877 112.605,878 150.761,879 117.376,881 4.64,882 143.868,883 55.989,884 30.765,885 15.998,886 129.482,888 141.253,889 229.982,890 9.507,893 141.253,894 9.507,897 10.947,898 167.453,899 51.582,901 141.253,902 126.884,903 112.605,906 141.253,907 34.532,908 78.073,909 18.011,910 108.873,911 141.253,912 126.884,913 112.605,915 0.592,916 0.355,917 0.209,918 0.11,919 25,920 10,921 0.064,922 3,923 3,924 1.273,925 3.912,926 232.185,927 0.273,928 22,929 122.211,933 15.378,934 5.834,935 2.567,936 1.122,937 126.884,938 16.669,939 8.091,941 5.464,943 7.768,945 83.805,946 380.742,947 41,956 43.138,957 48.192,958 0.282,959 0.683,960 0.83,961 0.94,962 0.966,963 0.966,964 4.987,965 1.703,966 5.889,967 5.26,968 4.489,969 5.121,970 1.026,971 6.749,972 4.442,973 6.227,974 1.365,975 7.471,976 4.94,977 4.111,978 5.007,980 7.714,981 4.044,982 7.56,983 1.112,984 9.153,985 3.044,986 6.125,987 7.425,988 0.588,989 10.86,990 6.044,991 8.931,992 0.86,993 10.894,994 2.738,995 6.581,996 8.155,998 12.693,999 6.493,1000 10.335,1001 0.614,1002 12.674,1003 2.121,1004 8.066,1005 10.038,1006 0.307,1007 15.351,1008 7.966,1009 11.764,1010 0.319,1011 14.483,1012 1.537,1013 8.914,1014 11.174,1016 17.539,1017 8.812,1018 13.213,1019 -0.217,1020 16.314,1021 0.8,1022 10.194,1023 12.836,1024 0.149,1025 20.034,1026 10.081,1027 3.211,1028 -0.423,1029 18.161,1030 -0.587,1031 11.221,1032 14.17,1034 22.36,1035 11.106,1036 3.186,1037 11.11,1038 20.021,1039 -1.129,1040 12.423,1041 15.739,1042 0.07,1043 24.798,1044 12.298,1045 2.528,1046 11.097,1047 21.892,1048 4.608,1049 13.527,1050 17.166,1052 27.175,1053 13.398,1054 2.324,1055 7.618,1056 23.771,1057 4.24,1058 14.701,1059 18.698,1060 0.032,1061 29.593,1062 14.563,1063 2.037,1064 6.721,1065 25.658,1066 3.48,1067 15.838,1068 20.169,1070 31.989,1071 15.693,1072 1.979,1073 6.232,1074 27.549,1075 3.154,1076 17.002,1077 21.686,1078 0.015,1079 34.4,1080 16.85,1081 1.766,1082 5.79,1083 29.445,1084 2.792,1085 18.154,1086 23.179,1088 36.803,1089 17.994,1090 8304,1091 13372,1092 20.69,1093 30.051,1094 46.285,1095 46.205,1096 47.083,1097 46.088,1098 46.011,1099 62.857,1100 2.675,1101 138.017,1102 44.865,1103 5.487,1104 5.36,1105 6.461,1106 5.281,1107 5.211,1108 7.608,1109 1.36,1110 18.155,1111 5.207,1112 9.369,1113 1.543,1114 1.54,1115 1.569,1116 1.536,1117 1.534,1118 2.095,1119 0.089,1120 4.601,1121 1.495,1122 4.117,1123 4.14,1124 4.084,1125 4.058,1126 5.363,1127 4.056,1128 4.053,1129 4.072,1130 4.022,1131 3.921,1132 4.985,1133 3.949,1134 3.717,1135 3.756,1136 3.647,1137 3.642,1138 4.948,1139 3.638,1140 3.442,1141 3.513,1142 3.369,1143 3.222,1144 4.859,1145 3.248,1146 3.224,1147 3.286,1148 3.116,1149 3.073,1150 4.572,1151 3.07,1152 3.098,1153 3.197,1154 2.978,1155 2.9,1156 4.149,1157 2.907,1158 3.065,1159 3.155,1160 2.922,1161 2.732,1162 4.062,1163 2.78,1164 2.859,1165 2.919,1166 2.721,1167 2.698,1168 3.815,1169 2.697,1170 0.155,1171 0.112,1172 0.226,1173 0.14,1174 0.107,1175 4.638,1176 0.154,1177 3.36,1178 0.023,1179 6.78,1180 0.37,1181 4.21,1182 0.107,1183 3.211,1184 4.608,1185 0.68,1186 11.11,1187 3.207,1188 1.936,1189 1.915,1190 2.024,1191 2.021,1192 1.181,1193 2.017,1194 1.86,1195 1.83,1196 1.977,1197 1.98,1198 1.148,1199 1.967,1200 1.806,1201 1.775,1202 1.861,1203 1.932,1204 1.053,1205 1.931,1206 1.477,1207 1.44,1208 1.628,1209 1.704,1210 0.667,1211 1.689,1212 1.199,1213 1.145,1214 1.446,1215 1.405,1216 0.584,1217 1.403,1218 1.045,1219 0.995,1220 1.276,1221 1.356,1222 0.282,1223 1.341,1224 0.957,1225 0.882,1226 1.219,1227 1.319,1228 0.172,1229 1.31,1230 0.886,1231 0.801,1232 1.14,1233 1.134,1234 0.106,1235 1.14,1236 4.111,1238 5.468,1239 3.045,1240 7.018,1241 5.476,1242 8.661,1243 7.644,1244 10.352,1250 11.584,1252 1.534,1253 3.435,1262 28.983,1263 65.794,1264 159.313,1265 193.678,1266 219.329,1267 225.329,1268 225.329,1269 29.54,1270 8.154,1271 102.99,1272 102.99,1273 28,1274 12.76,1275 4.524,1276 3.585,1277 34.157,1278 104,1279 88,1280 0.163,1281 174.344,1282 286.55,1283 417.159,1284 43517,1286 17.673,1287 0.68,1288 0.538,1289 17.673,1290 13.99,1291 12.687,1292 0.423,1293 0.281,1294 8.33,1295 12.295,1296 8.167,1297 6.733,1298 12.687,1299 8.43,1300 11.853,1301 0.269,1302 0.147,1303 11.853,1304 6.468,1305 10.352,1306 0.167,1307 0.078,1308 10.352,1309 4.832,1310 9.557,1311 0.109,1312 0.041,1313 9.557,1314 3.629,1315 7.512,1316 0.07,1317 0.022,1318 7.512,1319 2.421,1320 0.259,1321 78.876,1322 0.22,1323 25.177,1324 0.438,1325 148,1326 383.983,1327 159.758,1328 382.54,1329 544.72,1330 360,1331 180,1332 425.378,1333 191.48,1334 434.36,1335 641.92,1336 410,1337 5}
{0 CHEMBL59952,1 1.549,2 8.526,3 2.333,4 5.444,5 78.101,6 7.324,7 0.6,8 3.645,9 3.783,10 3.168,11 3.158,12 4.883,13 3.142,14 4.072,15 4.245,16 3.489,17 3.51,18 5.263,19 3.462,20 4.301,21 4.491,22 3.527,23 3.634,24 5.428,25 3.566,26 4.434,27 4.675,28 3.379,29 3.611,30 5.534,31 3.499,32 4.34,33 4.597,34 3.271,35 3.517,36 5.38,37 3.394,38 4.248,39 4.509,40 3.129,41 3.363,42 5.301,43 3.25,44 4.075,45 4.35,46 3.013,47 3.178,48 5.081,49 3.063,50 3.899,51 4.158,52 2.88,53 2.923,54 5.218,55 2.84,56 0.059,57 0.53,58 7.371,59 2.792,60 15.952,61 3.842,62 0.131,63 0.78,64 11.793,65 4.95,66 19.946,67 6.743,68 0.098,69 0.916,70 15.371,71 5.69,72 24.961,73 8.072,74 0.265,75 0.941,76 19.18,77 6.436,78 48.426,79 9.258,80 0.143,81 0.852,82 17.433,83 6.039,84 37.668,85 8.975,86 0.212,87 0.756,88 16.378,89 5.012,90 41.621,91 7.505,92 0.095,93 0.637,94 13.633,95 4.412,96 24.175,97 6.796,98 0.287,99 0.522,100 11.668,101 2.964,102 44.176,103 4.74,104 19,105 27,106 0.285,107 0.676,108 0.825,109 0.893,110 0.893,111 0.893,112 3.01,113 0.883,114 -3.67,115 -3.64,116 -3.47,119 40,121 2,133 1,134 1,139 3,140 3,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 9,169 1,170 2,172 3,173 3,175 3,178 10,180 1,182 2,187 4,189 10,191 1,193 2,195 1,196 1,197 1,198 4,200 2,201 7,204 2,205 1,207 4,212 5,215 5,218 3,221 4,226 4,229 3,231 3,234 2,239 3,241 1,243 3,246 2,249 2,250 1,251 3,253 1,256 3,260 2,265 2,270 2,273 417,274 12.593,275 12.593,276 12.593,277 12.593,278 12.593,279 10.859,280 18.504,281 7.529,282 12.807,283 9.82,284 9.82,285 9.82,286 9.82,287 9.82,288 7.283,289 24.914,290 3.504,291 10.188,292 3.58,293 1.462,294 0.65,295 0.286,296 0.286,297 0.286,298 3.665,300 1,301 1,302 1,303 331,304 2.449,307 127.698,314 1.235,315 18.989,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 41,327 162,328 4.296,329 3.18,330 6.128,331 3.913,332 2.935,333 3.946,334 0.68,335 9.016,336 2.877,337 4.184,338 3.013,339 6.035,340 3.763,341 2.799,342 3.831,343 0.68,344 8.628,345 2.697,346 3.58,347 2.515,348 5.223,349 3.216,350 2.258,351 2.908,353 6.537,354 2.166,355 3.355,356 2.16,357 4.911,358 2.936,359 1.99,360 2.653,362 5.609,363 1.87,364 2.964,365 2.014,366 4.246,367 2.584,368 1.606,369 2.088,371 3.988,372 1.565,373 2.821,374 1.559,375 4.126,376 2.348,377 1.414,378 1.95,380 3.649,381 1.317,382 2.582,383 1.207,384 3.184,385 2,386 1,387 1.439,389 1.792,390 1,391 1.708,392 0.748,393 3.079,394 1.399,395 0.451,396 0.543,398 1.064,399 0.425,400 1.415,401 0.393,402 2.391,403 1.023,404 0.077,405 0.097,407 0.155,408 0.072,409 1,410 -0.146,411 2.358,412 0.6,413 -0.383,414 -0.505,415 -0.767,416 -0.377,417 0.797,418 -0.314,419 2.304,420 0.393,421 -0.515,422 -0.621,423 -1.242,424 -0.466,425 0.5,426 -0.478,427 2,428 0.173,429 -0.778,430 -0.975,431 -1.863,432 -0.733,433 0.462,434 -0.87,435 1.553,437 -1,438 -1.462,439 -2.553,440 -1,441 0.067,442 -0.939,443 1.378,444 -0.263,445 -1.196,446 -1.5,448 -3.149,449 -1.108,450 -0.121,451 -1.249,452 1.311,453 -0.472,454 -1.414,455 -1.855,457 -3.819,458 -1.334,459 8.933,460 0.47,461 0.489,462 0.026,463 26.25,464 1.382,465 14.5,466 0.763,467 11.75,468 0.618,469 11.828,470 0.623,471 20.467,472 0.585,473 17.829,474 0.938,475 5.387,476 0.284,477 3.709,478 0.195,479 0.183,481 0.336,485 1.141,486 1.125,487 0.894,488 0.908,489 1.259,490 0.865,491 0.475,492 0.933,493 0.775,494 1.052,495 0.509,496 0.98,497 0.983,498 1.259,499 1.046,500 1.23,501 0.911,502 1.161,503 1.13,504 0.905,505 1.124,506 1.037,507 1.121,508 1.082,509 0.784,510 1.049,511 0.952,512 1.077,513 0.744,514 1.046,515 1.255,516 0.962,517 1.068,518 0.929,519 1.274,520 0.969,521 0.699,522 1.158,523 0.806,524 1.06,525 0.716,526 0.964,527 1.091,528 0.972,529 1.069,530 0.92,531 1.092,532 0.973,533 4.5,534 0.029,535 2.222,536 1.25,537 1.187,538 0.382,539 0.424,540 0.28,541 0.132,542 0.097,543 3028,544 8937,545 1.965,546 45.7,547 4,548 6,550 1,551 5,555 1.602,556 1.81,557 3.099,558 2.892,560 1,562 1,564 54.222,565 1.549,566 3.668,567 4.479,568 4.844,569 4.844,570 4.844,571 2.505,572 4.143,573 4.22,574 3.188,575 545.188,576 7.185,577 5388.63,578 1,579 1,581 1,582 179.525,583 1.509,584 4.159,585 0.225,586 0.01,587 0.082,588 0.046,589 0.054,590 0.019,591 0.025,592 0.019,593 0.011,594 0.014,595 0.505,596 0.33,597 1,598 1.144,599 82.639,600 -0.212,601 0.09,602 -0.028,603 0.143,604 -0.295,605 0.097,606 0.255,607 0.195,608 0.101,609 0.01,610 0.155,611 0.02,612 -0.108,613 -0.19,614 -0.143,615 -0.199,616 -0.085,617 -0.178,618 -0.099,619 0.06,620 -0.156,621 -0.056,622 -0.087,623 -0.109,624 -0.022,625 -0.116,626 0.002,627 -0.073,628 0.041,629 -0.037,630 -0.186,631 -0.036,632 -0.073,633 0.028,634 -0.205,635 -0.002,636 0.077,637 -0.259,638 0.174,639 -0.084,640 0.061,641 0.039,642 0.272,643 -0.006,644 -0.03,645 -0.047,646 0.231,647 -0.076,648 1.501,649 3.709,650 0.632,651 12.997,652 1.001,653 1.134,654 2.445,655 5.976,656 0.658,657 3.045,658 3.332,659 3.526,660 3.714,661 3.912,662 3.807,663 3.807,664 3.871,665 3.807,666 3.738,667 5.03,668 0.627,669 256.34,670 3.045,671 4.554,672 5.371,673 6.225,674 7.062,675 7.918,676 8.763,677 9.618,678 10.466,679 11.321,680 11.4,684 2,690 2,695 4,696 2,700 6,702 12,711 2,715 1,718 35,719 13,720 1,721 20,723 36,724 14,725 10,726 3,727 3,729 2,730 2,739 2,741 12,742 2,744 1,745 1,749 1,754 1,757 16,758 5,759 5,760 5,764 4,769 1,770 1,776 1,781 2,794 1,795 1,802 2,810 19,811 2,815 1,816 2,829 2.9,831 1,836 10.5,837 5.933,838 4.306,839 1.794,840 2.36,841 1.383,842 0.951,843 4.022,844 8.525,845 3.332,846 3.912,847 4.413,848 4.929,849 5.458,850 5.483,851 5.666,852 6.071,853 6.332,854 6.583,855 0.833,856 27,857 6.938,859 2.846,860 7.921,861 12.956,863 10.162,865 2.421,866 46,870 129.482,871 81.572,872 99.365,874 42.683,877 81.572,878 172.165,879 99.365,881 20.836,882 103.699,883 88.026,884 18.604,885 4.227,886 117.711,888 129.482,889 180.938,890 42.683,893 129.482,894 42.683,897 16.016,898 121.875,899 43.047,901 129.482,902 142.049,903 81.572,906 129.482,907 18.853,908 46.952,910 157.816,911 129.482,912 142.049,913 81.572,915 0.572,916 0.328,917 0.172,918 0.098,919 12,920 6,921 0.111,922 4,924 1,925 3.096,926 130.972,928 12,929 80.711,933 13.369,934 5.717,935 3.233,937 142.049,938 7.06,939 7.858,943 3.483,945 108.478,946 353.103,947 27,948 3.67,952 1.75,956 35.036,957 39.694,958 0.302,959 0.715,960 0.873,961 0.944,962 0.944,963 0.944,964 4.533,965 0.451,966 5.352,967 1.792,968 4.007,969 4.595,970 1.047,971 6.111,972 3.938,973 5.741,974 0.077,975 6.887,976 1.064,977 3.611,978 4.407,980 6.899,981 3.498,982 7.038,983 -0.383,984 8.516,985 0.155,986 5.557,987 6.77,988 0.618,989 9.936,990 5.431,991 8.367,992 -0.515,993 10.198,994 -0.767,995 5.916,996 7.326,998 11.481,999 5.75,1000 9.723,1001 -0.778,1002 11.911,1003 -1.242,1004 7.365,1005 9.2,1006 0.333,1007 14.029,1008 7.188,1009 11.098,1010 -1,1011 13.646,1012 -1.863,1013 8.082,1014 10.116,1016 15.906,1017 7.871,1018 12.488,1019 -1.196,1020 15.395,1021 -2.553,1022 9.316,1023 11.762,1024 0.168,1025 18.257,1026 9.092,1027 2.935,1028 -1.414,1029 17.156,1030 -3.149,1031 10.209,1032 12.87,1034 20.292,1035 9.955,1036 2.799,1037 9.016,1038 18.925,1039 -3.819,1040 11.347,1041 14.395,1042 0.081,1043 22.554,1044 11.077,1045 2.258,1046 8.628,1047 20.701,1048 3.946,1049 12.325,1050 15.611,1052 24.665,1053 12.029,1054 1.99,1055 6.537,1056 22.483,1057 3.831,1058 13.42,1059 17.068,1060 0.038,1061 26.885,1062 13.105,1063 1.606,1064 5.609,1065 24.269,1066 2.908,1067 14.441,1068 18.344,1070 29.034,1071 14.102,1072 1.414,1073 3.988,1074 26.058,1075 2.653,1076 15.516,1077 19.762,1078 0.018,1079 31.235,1080 15.157,1081 1,1082 3.649,1083 27.851,1084 2.088,1085 16.558,1086 21.073,1088 33.402,1089 16.176,1090 3129,1091 5449,1092 12.83,1093 23.046,1094 29.51,1095 29.636,1096 30.665,1097 29.087,1098 29.062,1099 38.911,1100 2.72,1101 80.878,1102 27.977,1103 5.066,1104 5.18,1105 5.892,1106 4.982,1107 4.935,1108 6.946,1109 1.36,1110 15.359,1111 4.877,1112 10.61,1113 1.475,1114 1.482,1115 1.533,1116 1.454,1117 1.453,1118 1.946,1119 0.136,1120 4.044,1121 1.399,1122 3.993,1123 4.024,1124 3.94,1125 3.921,1126 6.469,1127 3.92,1128 3.818,1129 3.867,1130 3.777,1131 3.666,1132 5.29,1133 3.687,1134 3.502,1135 3.562,1136 3.361,1137 3.392,1138 4.979,1139 3.378,1140 3.211,1141 3.289,1142 3.1,1143 3.006,1144 4.736,1145 3.022,1146 3.016,1147 3.131,1148 2.872,1149 2.77,1150 4.563,1151 2.751,1152 2.893,1153 2.97,1154 2.722,1155 2.695,1156 4.422,1157 2.725,1158 2.846,1159 2.935,1160 2.707,1161 2.566,1162 3.748,1163 2.591,1164 2.539,1165 2.628,1166 2.286,1167 2.193,1168 3.686,1169 2.183,1170 0.215,1171 0.159,1172 0.306,1173 0.196,1174 0.147,1175 4.296,1176 0.197,1177 3.18,1178 0.034,1179 6.128,1180 0.451,1181 3.913,1182 0.144,1183 2.935,1184 3.946,1185 0.68,1186 9.016,1187 2.877,1188 1.96,1189 1.936,1190 2.065,1191 2.056,1192 1.252,1193 2.057,1194 1.752,1195 1.708,1196 1.862,1197 1.932,1198 0.987,1199 1.913,1200 1.517,1201 1.462,1202 1.727,1203 1.669,1204 0.713,1205 1.698,1206 1.152,1207 1.087,1208 1.386,1209 1.426,1210 0.37,1211 1.42,1212 0.928,1213 0.857,1214 1.249,1215 1.303,1216 0.203,1217 1.297,1218 0.907,1219 0.802,1220 1.228,1221 1.12,1222 0.017,1223 1.166,1224 0.773,1225 0.677,1226 1.09,1227 1.104,1229 1.105,1230 0.484,1231 0.363,1232 0.929,1233 0.877,1235 0.869,1236 3.714,1238 5.004,1240 6.491,1242 8.07,1244 9.693,1250 11.257,1251 9.709,1252 1.212,1262 21.961,1263 54.222,1264 128.364,1265 156.77,1266 169.525,1267 169.525,1268 169.525,1269 31.206,1270 6.165,1271 98.05,1272 98.05,1273 12,1274 11.876,1275 3.807,1276 3,1277 33.676,1278 57,1279 55,1280 0.298,1281 140.958,1282 238.55,1283 335.698,1284 3121,1286 13.828,1287 0.728,1288 0.553,1289 13.828,1290 10.504,1291 9.097,1292 0.455,1293 0.294,1294 5.818,1295 8.823,1296 5.665,1297 4.75,1298 9.097,1299 5.884,1300 8.096,1301 0.3,1302 0.158,1303 8.096,1304 4.271,1305 6.376,1306 0.193,1307 0.085,1308 6.376,1309 2.819,1310 5.006,1311 0.125,1312 0.046,1313 5.006,1314 1.858,1315 4.042,1316 0.082,1317 0.025,1318 4.042,1319 1.237,1320 0.459,1321 56.596,1322 0.279,1323 18.999,1324 0.833,1325 94,1326 264.064,1327 102.154,1328 266.608,1329 360.65,1330 246,1331 107,1332 266.002,1333 114.322,1334 274.048,1335 392.13,1336 256,1337 4.025}
{0 CHEMBL60029,1 1.405,2 8.412,3 2.535,4 6.427,5 71.762,6 6.919,7 0.667,8 3.573,9 3.725,10 3.063,11 3.103,12 4.712,13 3.068,14 4.039,15 4.238,16 3.371,17 3.46,18 5.127,19 3.387,20 4.237,21 4.458,22 3.362,23 3.567,24 5.225,25 3.466,26 4.313,27 4.572,28 3.156,29 3.504,30 5.302,31 3.352,32 4.241,33 4.541,34 3.001,35 3.339,36 5.113,37 3.179,38 3.959,39 4.233,40 2.87,41 3.102,42 4.936,43 2.983,44 3.825,45 4.12,46 2.629,47 2.927,48 4.713,49 2.783,50 3.581,51 3.86,52 2.438,53 2.717,54 4.484,55 2.572,56 0.048,57 0.509,58 7.322,59 2.662,60 9.492,61 3.953,62 0.156,63 0.754,64 12.19,65 4.868,66 18.347,67 6.946,68 0.098,69 0.867,70 15.121,71 5.438,72 16.331,73 8.208,74 0.184,75 0.857,76 16.911,77 5.827,78 31.065,79 8.841,80 0.131,81 0.738,82 16.164,83 5.331,84 24.57,85 8.35,86 0.115,87 0.594,88 12.021,89 3.547,90 20.505,91 5.734,92 0.099,93 0.492,94 10.619,95 3.257,96 15.714,97 5.211,98 0.056,99 0.39,100 8.129,101 2.687,102 11.103,103 4.219,104 11,105 24,106 0.264,107 0.629,108 0.761,109 0.807,110 0.83,111 0.83,112 2.907,113 0.939,114 -4.01,115 -3.96,116 -3.75,119 39.4,120 1,121 2,139 4,140 3,142 1,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 2,172 3,173 3,175 1,178 12,180 1,182 2,187 1,189 11,191 1,193 2,195 1,196 1,197 1,198 2,200 2,201 6,204 2,205 1,207 4,212 3,215 3,218 3,221 4,226 3,229 2,231 3,234 2,239 3,241 1,243 3,246 2,251 3,256 3,260 2,265 2,270 2,273 299,274 11.386,275 11.386,276 11.386,277 11.386,278 11.386,279 9.834,280 15.407,281 6.73,282 11.567,283 8.804,284 8.804,285 8.804,286 8.804,287 8.804,288 6.527,289 17.679,290 3.136,291 9.101,292 3.64,293 1.697,294 0.993,295 0.75,296 0.629,297 0.629,298 3.56,301 1,302 1,303 295,304 2.121,307 112.468,314 1.26,315 11.527,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 36,327 143,328 4.258,329 3.119,330 6.094,331 3.862,332 2.894,333 3.902,334 0.68,335 8.876,336 2.811,337 4.007,338 2.762,339 5.462,340 3.592,341 2.605,342 3.613,344 7.259,345 2.567,346 3.539,347 2.477,348 5.125,349 3.19,350 2.222,351 2.855,353 6.324,354 2.155,355 3.345,356 2.162,357 4.904,358 2.941,359 1.991,360 2.631,362 5.601,363 1.876,364 2.823,365 1.565,366 4.127,367 2.353,368 1.419,369 1.952,371 3.652,372 1.322,373 2.5,374 1,375 3.414,376 2,377 1,378 1.5,380 2.275,381 1,382 1.804,383 0.839,384 3.088,385 1.619,386 0.629,387 0.711,389 1.212,390 0.622,391 1.519,392 0.495,393 2.654,394 1.261,395 0.304,396 0.357,398 0.57,399 0.29,400 0.956,401 -0.132,402 2.359,403 0.654,404 -0.321,405 -0.39,407 -0.646,408 -0.313,409 0.795,410 -0.314,411 2.179,412 0.392,413 -0.515,414 -0.621,415 -1.242,416 -0.466,417 0.5,418 -0.701,419 2,420 0.089,421 -0.889,422 -1.093,423 -2.198,424 -0.866,425 0.401,426 -1,427 1.5,429 -1,430 -1.5,431 -3,432 -1,433 0.032,434 -1.069,435 1.367,436 -0.308,437 -1.257,438 -1.594,439 -3.419,440 -1.189,441 -0.231,442 -1.304,443 1,444 -0.579,445 -1.513,446 -1.889,448 -4.042,449 -1.39,450 -0.486,451 -1.448,452 1,453 -0.662,454 -1.642,455 -2.093,457 -4.146,458 -1.629,459 8.1,460 0.476,461 0.4,462 0.024,463 23.5,464 1.382,465 13,466 0.765,467 10.5,468 0.618,469 10.599,470 0.623,471 18.3,472 0.555,473 14.14,474 0.832,475 4.566,476 0.269,477 3.619,478 0.213,479 0.16,481 0.309,485 1.175,486 1.184,487 0.923,488 0.971,489 1.338,490 0.926,491 0.382,492 0.885,493 0.804,494 1.005,495 0.405,496 0.963,497 0.94,498 1.209,499 1.041,500 1.17,501 0.823,502 1.126,503 0.909,504 1.018,505 1.17,506 1.184,507 0.967,508 1.205,509 0.809,510 0.945,511 0.861,512 0.926,513 0.82,514 0.904,515 1.247,516 1.078,517 1.032,518 0.977,519 1.134,520 0.978,521 1.057,522 0.959,523 0.942,524 0.909,525 0.963,526 0.911,527 0.8,528 1.197,529 0.93,530 1.123,531 0.943,532 1.055,533 4,534 0.029,535 1.778,536 0.813,537 0.996,538 0.299,539 0.262,540 0.233,541 0.074,542 0.061,543 2338,544 5724,545 1.994,546 48.5,547 7,548 4,550 1,551 4,555 1.565,556 1.855,557 3.061,558 2.063,560 1,561 1,562 1,564 46.359,565 1.405,566 3.347,567 4.052,568 4.294,569 4.415,570 4.415,571 2.514,572 3.572,573 4.058,574 3.145,575 427.73,576 6.839,577 3871.09,578 1,579 1,581 1,582 166.465,583 1.447,584 4.01,585 0.222,586 0.014,587 0.074,588 0.035,589 0.059,590 0.02,591 0.02,592 0.023,593 0.009,594 0.012,595 0.489,596 0.5,597 1,598 0.922,599 71.032,600 -0.181,601 0.053,602 -0.001,603 0.095,604 -0.27,605 0.073,606 0.452,607 0.225,608 0.124,609 0.057,610 0.33,611 0.052,612 -0.093,613 -0.154,614 -0.108,615 -0.138,616 -0.062,617 -0.127,618 0.006,619 -0.034,620 -0.217,621 -0.2,622 -0.021,623 -0.23,624 0.025,625 -0.07,626 0.112,627 0.046,628 0.048,629 0.082,630 -0.143,631 -0.108,632 -0.046,633 -0.043,634 -0.065,635 -0.035,636 -0.07,637 -0.052,638 0.043,639 0.034,640 -0.012,641 0.049,642 0.05,643 -0.29,644 0.035,645 -0.147,646 0.026,647 -0.072,648 1.451,649 1.794,650 0.706,651 10.927,652 0.991,653 1.136,654 2.78,655 7.731,656 0.654,657 2.944,658 3.219,659 3.401,660 3.555,661 3.761,662 3.638,663 3.584,664 3.638,665 3.555,666 3.434,667 4.823,668 0.614,669 228.33,670 2.944,671 4.443,672 5.252,673 6.094,674 6.921,675 7.763,676 8.597,677 9.44,678 10.276,679 11.119,680 12.1,684 2,690 2,695 5,696 2,700 5,702 12,711 2,718 33,719 12,720 1,721 18,723 34,724 13,725 10,726 2,727 4,729 2,730 2,734 1,739 2,741 10,742 3,754 1,757 16,758 4,759 4,760 4,764 4,769 1,776 1,781 2,802 2,806 1,810 17,811 2,816 2,836 9.167,837 5.983,838 3.861,839 1.96,840 2.245,841 1.378,842 0.982,843 3.474,844 8.185,845 3.219,846 3.807,847 4.311,848 4.802,849 5.338,850 5.299,851 5.451,852 5.837,853 6.113,854 6.347,855 0.833,856 23,857 6.218,859 2.508,860 7.696,861 11.903,863 9.338,865 2.196,866 37.333,867 0.002,870 141.253,871 74.63,872 99.365,877 74.63,878 141.253,879 99.365,880 8.825,881 5.069,882 103.699,883 45.342,884 18.604,885 4.227,886 129.482,888 141.253,889 173.996,893 141.253,897 24.841,898 115.584,899 33.571,901 141.253,902 99.365,903 74.63,906 141.253,907 18.853,908 55.778,910 99.365,911 141.253,912 99.365,913 74.63,915 0.573,916 0.328,917 0.162,918 0.09,919 11,920 5,921 0.088,922 3,924 1,925 2.964,926 110.572,928 12,929 65.487,933 11.711,934 5.043,935 2.872,937 99.365,938 10.155,939 7.904,943 4.102,945 65.794,946 315.249,947 24,956 32.709,957 37.484,958 0.278,959 0.663,960 0.803,961 0.851,962 0.875,963 0.875,964 4.407,965 0.304,966 5.22,967 1.212,968 3.892,969 4.489,970 0.655,971 5.948,972 3.831,973 5.608,974 -0.321,975 6.735,976 0.57,977 3.434,978 4.227,980 6.676,981 3.341,982 6.897,983 -0.515,984 8.339,985 -0.646,986 5.416,987 6.652,988 0.356,989 9.671,990 5.304,991 8.219,992 -0.889,993 9.993,994 -1.242,995 5.707,996 7.117,998 11.148,999 5.566,1000 9.565,1001 -1,1002 11.678,1003 -2.198,1004 7.177,1005 9.045,1006 0.18,1007 13.661,1008 7.019,1009 10.928,1010 -1.257,1011 13.382,1012 -3,1013 7.827,1014 9.867,1016 15.479,1017 7.64,1018 12.303,1019 -1.513,1020 15.102,1021 -3.419,1022 9.07,1023 11.555,1024 0.087,1025 17.803,1026 8.864,1027 2.894,1028 -1.642,1029 16.833,1030 -4.042,1031 9.907,1032 12.581,1034 19.795,1035 9.672,1036 2.605,1037 8.876,1038 18.574,1039 -4.146,1040 11.043,1041 14.134,1042 0.041,1043 22.037,1044 10.787,1045 2.222,1046 7.259,1047 20.323,1048 3.902,1049 11.979,1050 15.283,1052 24.119,1053 11.693,1054 1.991,1055 6.324,1056 22.079,1057 3.613,1058 13.066,1059 16.755,1060 0.019,1061 26.325,1062 12.755,1063 1.419,1064 5.601,1065 23.84,1066 2.855,1067 14.055,1068 17.98,1070 28.454,1071 13.714,1072 1,1073 3.652,1074 25.607,1075 2.631,1076 15.119,1077 19.403,1078 0.009,1079 30.645,1080 14.752,1081 0.629,1082 2.275,1083 27.379,1084 1.952,1085 16.137,1086 20.675,1088 32.798,1089 15.739,1090 2401,1091 3855,1092 11.731,1093 21.591,1094 26.254,1095 26.313,1096 27.093,1097 26.167,1098 26.127,1099 35.043,1100 1.36,1101 71.541,1102 25.286,1103 5.019,1104 5.119,1105 5.647,1106 4.931,1107 4.894,1108 6.902,1109 1.36,1110 15.193,1111 4.811,1112 8.546,1113 1.459,1114 1.462,1115 1.505,1116 1.454,1117 1.452,1118 1.947,1119 0.076,1120 3.975,1121 1.405,1122 3.985,1123 4.022,1124 3.926,1125 3.918,1126 5.29,1127 3.913,1128 3.814,1129 3.866,1130 3.765,1131 3.666,1132 4.979,1133 3.685,1134 3.419,1135 3.497,1136 3.25,1137 3.272,1138 4.727,1139 3.257,1140 3.148,1141 3.251,1142 2.997,1143 2.919,1144 4.44,1145 2.926,1146 2.978,1147 3.101,1148 2.806,1149 2.735,1150 4.02,1151 2.715,1152 2.854,1153 2.925,1154 2.687,1155 2.653,1156 3.747,1157 2.677,1158 2.781,1159 2.889,1160 2.594,1161 2.542,1162 3.674,1163 2.55,1164 2.455,1165 2.584,1166 2.163,1167 2.183,1168 3.634,1169 2.157,1170 0.237,1171 0.173,1172 0.339,1173 0.215,1174 0.161,1175 4.258,1176 0.217,1177 3.119,1178 0.038,1179 6.094,1180 0.493,1181 3.862,1182 0.156,1183 2.894,1184 3.902,1185 0.68,1186 8.876,1187 2.811,1188 1.963,1189 1.935,1190 2.084,1191 2.055,1192 1.26,1193 2.063,1194 1.754,1195 1.707,1196 1.872,1197 1.933,1198 1.042,1199 1.918,1200 1.435,1201 1.362,1202 1.709,1203 1.633,1204 0.762,1205 1.67,1206 1.103,1207 1.016,1208 1.373,1209 1.401,1210 0.387,1211 1.399,1212 0.891,1213 0.821,1214 1.229,1215 1.271,1216 0.218,1217 1.279,1218 0.886,1219 0.771,1220 1.181,1221 1.062,1222 0.135,1223 1.107,1224 0.749,1225 0.649,1226 1.092,1227 1.059,1229 1.081,1230 0.486,1231 0.356,1232 0.972,1233 0.806,1235 0.872,1236 3.611,1238 4.89,1240 6.368,1242 7.931,1244 9.532,1246 2.14,1250 11.251,1252 1.781,1262 20.246,1263 46.359,1264 110.449,1265 133.71,1266 141.71,1267 145.71,1268 145.71,1269 20.695,1270 5.94,1271 77.82,1272 77.82,1273 12,1274 11.684,1275 3.7,1276 2.807,1277 28.587,1278 49,1279 50,1280 0.297,1281 130.297,1282 215.1,1283 309.684,1284 2350,1286 12.251,1287 0.721,1288 0.579,1289 12.251,1290 9.85,1291 8.186,1292 0.455,1293 0.313,1294 5.584,1295 7.979,1296 5.404,1297 4.555,1298 8.186,1299 5.634,1300 7.186,1301 0.299,1302 0.166,1303 7.186,1304 3.986,1305 5.789,1306 0.2,1307 0.095,1308 5.789,1309 2.742,1310 4.382,1311 0.129,1312 0.05,1313 4.382,1314 1.683,1315 3.474,1316 0.083,1317 0.027,1318 3.474,1319 1.136,1320 0.46,1321 50.555,1322 0.292,1323 17.297,1324 0.819,1325 84,1326 211.915,1327 90.05,1328 216.975,1329 299.97,1330 202,1331 95,1332 225.972,1333 100.329,1334 233.727,1335 334.21,1336 219,1337 4.398}
{0 CHEMBL600412,1 1.54,2 8.565,3 3.748,4 14.049,5 98.429,6 7.75,7 0.615,8 3.852,9 3.986,10 3.507,11 3.46,12 4.925,13 3.405,14 4.372,15 4.547,16 3.935,17 3.9,18 5.403,19 3.806,20 4.605,21 4.809,22 4.067,23 4.057,24 5.531,25 3.924,26 4.628,27 4.827,28 4.017,29 4.044,30 5.611,31 3.875,32 4.584,33 4.808,34 3.71,35 3.92,36 5.516,37 3.764,38 4.535,39 4.776,40 3.62,41 3.821,42 5.433,43 3.689,44 4.501,45 4.741,46 3.523,47 3.747,48 5.415,49 3.625,50 4.518,51 4.802,52 3.253,53 3.582,54 5.381,55 3.428,56 0.056,57 0.685,58 9.179,59 3.73,60 9.64,61 4.882,62 0.179,63 1.11,64 17.241,65 7.366,66 20.64,67 9.529,68 0.168,69 1.361,70 25.539,71 9.198,72 17.701,73 11.684,74 0.266,75 1.404,76 31.516,77 10.85,78 27.754,79 13.167,80 0.222,81 1.275,82 28.349,83 9.216,84 27.689,85 11.405,86 0.154,87 1.159,88 22.796,89 8.097,90 22.946,91 11.241,92 0.149,93 1.123,94 21.117,95 7.369,96 22.167,97 10.304,98 0.2,99 1.073,100 21.33,101 6.859,102 27.078,103 10.171,104 10,105 38,106 0.269,107 0.646,108 0.785,109 0.83,110 0.855,111 0.872,112 3.19,113 0.998,114 -5.5,115 -5.38,116 -5.02,119 40.5,120 1,121 4,139 3,140 3,141 2,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 9,169 1,170 2,172 3,173 4,175 3,178 14,180 1,187 1,189 14,193 3,195 1,196 2,197 3,198 2,200 4,201 10,204 2,205 1,207 1,212 3,215 8,218 1,221 4,226 7,229 6,231 4,234 6,239 6,241 4,243 3,246 6,251 6,254 1,256 5,260 2,265 4,270 4,273 650,274 15.585,275 15.585,276 15.585,277 15.585,278 15.585,279 13.554,280 15.411,281 9.039,282 15.98,283 12.854,284 12.854,285 12.854,286 12.854,287 12.854,288 9.741,289 12.786,290 4.292,291 13.552,292 3.853,293 1.695,294 0.893,295 0.637,296 0.494,297 0.399,298 3.887,300 1,301 1,302 1,303 436,304 2.345,306 41.028,307 150.708,310 78.617,311 84.143,314 1.149,315 15.167,317 1,318 0.75,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.86,326 48.5,327 197,328 4.71,329 4.611,330 6.913,331 4.225,332 3.279,333 4.681,334 2.95,335 11.602,336 3.099,337 4.368,338 3.477,339 6.504,340 3.994,341 3.015,342 4.023,344 10.193,345 2.954,346 3.836,347 2.972,348 5.692,349 3.387,350 2.471,351 3.317,353 7.495,354 2.259,355 3.448,356 2.696,357 5.2,358 3.027,359 2.092,360 2.823,362 6.233,363 1.945,364 3.366,365 2.23,366 5.119,367 2.954,368 2.024,369 2.628,371 5.965,372 1.875,373 3.185,374 2.129,375 4.935,376 2.723,377 1.786,378 2.441,380 5.403,381 1.665,382 2.947,383 1.833,384 4.276,385 2.618,386 1.618,387 2.115,389 3.839,390 1.618,391 2.55,392 1.782,393 4.109,394 2.275,395 1.293,396 1.565,398 3.432,399 1.271,400 2.434,401 1.45,402 3.594,403 2.154,404 1.231,405 1.429,407 2.815,408 1.116,409 2.008,410 1.242,411 3.363,412 1.83,413 0.861,414 0.963,415 2.065,416 0.827,417 1.366,418 0.594,419 2.992,420 1.004,421 0.111,422 0.134,423 0.301,424 0.097,425 1.141,426 0.353,427 2.728,428 0.668,429 -0.245,430 -0.326,431 -0.66,432 -0.223,433 0.907,434 -0.112,435 2.48,436 0.549,437 -0.397,438 -0.478,439 -1.014,440 -0.367,441 0.669,442 -0.333,443 2.353,444 0.382,445 -0.584,446 -0.675,448 -1.361,449 -0.532,450 0.648,451 -0.473,452 2.256,453 0.329,454 -0.618,455 -0.73,457 -1.478,458 -0.618,459 11.333,460 0.493,461 0.627,462 0.027,463 30.5,464 1.326,465 15.5,466 0.674,467 15,468 0.652,469 19.801,470 0.861,471 24.067,472 0.573,473 19.135,474 0.832,475 5.456,476 0.237,477 5.675,478 0.247,479 0.115,481 0.397,485 1.161,486 1.052,487 0.785,488 0.792,489 1.262,490 0.809,491 0.376,492 0.855,493 0.722,494 0.863,495 0.315,496 0.864,497 1.011,498 1.027,499 1.023,500 0.985,501 0.799,502 0.92,503 0.458,504 1.195,505 1.49,506 1.556,507 0.487,508 1.217,509 1.333,510 1.061,511 1.542,512 1.298,513 1.227,514 1.139,515 0.847,516 1.092,517 0.913,518 1.045,519 0.844,520 1.05,521 1.075,522 1.192,523 0.956,524 1.065,525 1.044,526 1.117,527 1.255,528 1.1,529 0.825,530 0.907,531 1.145,532 1.093,533 4.5,534 0.037,535 2.667,536 2.354,537 1.36,538 0.816,539 0.439,540 0.332,541 0.184,542 0.108,543 5389,544 12602,545 2.141,546 45.2,547 8,548 3,551 5,552 3,555 1.662,556 2,557 3.068,558 2.675,560 1,564 64.67,565 1.54,566 3.698,567 4.499,568 4.755,569 4.898,570 4.993,571 2.446,572 4.143,573 4.5,574 3.174,575 803.122,576 7.768,577 8777.55,578 1,579 1,581 1,582 226.477,583 1.422,584 4.454,585 0.173,586 0.009,587 0.07,588 0.06,589 0.039,590 0.028,591 0.016,592 0.013,593 0.01,594 0.012,595 0.431,596 0.17,597 0.88,598 0.58,599 105.141,600 -0.185,601 0.106,602 0.047,603 0.153,604 -0.219,605 0.115,606 0.44,607 0.21,608 0.194,609 0.144,610 0.385,611 0.115,612 -0.076,613 0.032,614 0.109,615 0.124,616 -0.04,617 0.073,618 0.375,619 -0.133,620 -0.082,621 -0.254,622 0.316,623 -0.171,624 -0.3,625 -0.008,626 -0.321,627 -0.161,628 -0.223,629 -0.151,630 -0.018,631 -0.149,632 -0.045,633 -0.112,634 -0.007,635 -0.065,636 -0.112,637 -0.23,638 -0.145,639 -0.194,640 -0.103,641 -0.167,642 -0.155,643 -0.196,644 -0.094,645 -0.135,646 -0.11,647 -0.165,648 1.468,649 2.098,650 0.826,651 14.684,652 0.995,653 1.127,654 4.273,655 18.261,656 0.691,657 3.296,658 3.664,659 3.989,660 4.331,661 4.554,662 4.635,663 4.736,664 4.868,665 4.927,666 4.898,667 5.068,668 0.642,669 325.48,670 3.296,671 4.86,672 5.74,673 6.65,674 7.547,675 8.462,676 9.365,677 10.282,678 11.187,679 12.105,680 11.9,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,718 42,719 16,720 1,721 26,723 45,724 17,725 12,726 3,727 3,729 4,730 6,734 1,736 4,739 4,741 12,742 5,754 1,757 19,758 4,759 5,760 6,761 1,764 5,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,803 1,804 1,806 1,810 23,811 2,816 4,819 1,836 11.5,837 7.733,838 4.917,839 2.589,840 3.299,841 1.442,842 1.059,843 3.7,844 10.763,845 3.555,846 4.245,847 4.899,848 5.561,849 6.087,850 6.42,851 6.788,852 7.209,853 7.429,854 7.655,855 0.833,856 39,857 8.48,859 3.662,860 7.558,861 16.591,863 14.195,865 2.058,866 47.333,869 1,870 164.795,871 100.356,872 116.151,876 32.22,877 68.137,878 164.795,879 116.151,880 8.825,881 10.138,882 94.223,883 35.286,884 28.831,885 6.984,886 197.015,888 164.795,889 184.288,891 32.22,893 164.795,897 39.363,898 111.353,899 33.571,900 32.22,901 164.795,902 116.151,903 100.356,906 164.795,907 63.102,908 37.254,909 16.786,910 99.365,911 164.795,912 116.151,913 100.356,915 0.591,916 0.356,917 0.21,918 0.114,919 21,920 9,921 0.044,922 2,923 2,924 1.211,925 3.459,926 197.934,927 0.211,928 19,929 102.042,930 1,933 14.851,934 5.73,935 2.579,936 1.579,937 99.365,938 6.592,939 8.381,940 3.277,943 7.039,945 82.58,946 381.303,947 34,956 41.771,957 47.318,958 0.286,959 0.686,960 0.834,961 0.882,962 0.908,963 0.926,964 4.812,965 1.293,966 5.746,967 3.839,968 4.344,969 4.931,970 2.913,971 6.613,972 4.239,973 6.052,974 1.231,975 7.336,976 3.432,977 4.007,978 4.913,980 7.603,981 3.848,982 7.392,983 0.861,984 9.027,985 2.815,986 5.984,987 7.25,988 5.027,989 10.759,990 5.785,991 8.77,992 0.111,993 10.778,994 2.065,995 6.463,996 8.062,998 12.605,999 6.214,1000 10.183,1001 -0.245,1002 12.569,1003 0.301,1004 7.936,1005 9.901,1006 7.185,1007 15.279,1008 7.652,1009 11.62,1010 -0.397,1011 14.386,1012 -0.66,1013 8.798,1014 11.101,1016 17.476,1017 8.466,1018 13.076,1019 -0.584,1020 16.225,1021 -1.014,1022 10.074,1023 12.746,1024 9.348,1025 19.988,1026 9.706,1027 3.279,1028 -0.618,1029 18.079,1030 -1.361,1031 11.11,1032 14.126,1034 22.326,1035 10.693,1036 3.015,1037 11.602,1038 19.946,1039 -1.478,1040 12.313,1041 15.696,1042 11.511,1043 24.782,1044 11.855,1045 2.471,1046 10.193,1047 21.823,1048 4.681,1049 13.424,1050 17.158,1052 27.177,1053 12.916,1054 2.092,1055 7.495,1056 23.708,1057 4.023,1058 14.601,1059 18.701,1060 13.675,1061 29.617,1062 14.048,1063 2.024,1064 6.233,1065 25.6,1066 3.317,1067 15.744,1068 20.201,1070 32.036,1071 15.14,1072 1.786,1073 5.965,1074 27.497,1075 2.823,1076 16.915,1077 21.736,1078 15.838,1079 34.472,1080 16.262,1081 1.618,1082 5.403,1083 29.398,1084 2.628,1085 18.073,1086 23.254,1088 36.902,1089 17.367,1090 5098,1091 7956,1092 17.512,1093 29.006,1094 39.668,1095 42.67,1096 41.085,1097 39.568,1098 39.563,1099 52.237,1100 5.9,1101 118.691,1102 37.454,1103 5.656,1104 6.611,1105 6.602,1106 5.379,1107 5.279,1108 7.681,1109 5.9,1110 18.67,1111 5.099,1112 10.06,1113 1.526,1114 1.641,1115 1.58,1116 1.522,1117 1.522,1118 2.009,1119 0.227,1120 4.565,1121 1.441,1122 4.117,1123 4.156,1124 4.201,1125 4.038,1126 5.318,1127 4.026,1128 3.975,1129 4.009,1130 3.935,1131 3.897,1132 4.981,1133 3.901,1134 3.518,1135 3.578,1136 3.548,1137 3.419,1138 4.769,1139 3.392,1140 3.463,1141 3.542,1142 3.352,1143 3.255,1144 4.685,1145 3.27,1146 3.136,1147 3.226,1148 3.194,1149 3.04,1150 4.131,1151 2.997,1152 3.093,1153 3.193,1154 2.958,1155 2.827,1156 4.062,1157 2.835,1158 2.966,1159 3.085,1160 2.799,1161 2.674,1162 3.777,1163 2.688,1164 2.771,1165 2.844,1166 2.739,1167 2.659,1168 3.691,1169 2.632,1170 0.181,1171 0.177,1172 0.266,1173 0.162,1174 0.126,1175 4.71,1176 0.18,1177 4.611,1178 0.113,1179 6.913,1180 0.446,1181 4.225,1182 0.119,1183 3.279,1184 4.681,1185 2.95,1186 11.602,1187 3.099,1188 1.996,1189 1.973,1190 2.119,1191 2.066,1192 1.439,1193 2.09,1194 1.805,1195 1.769,1196 1.833,1197 2.001,1198 1.01,1199 1.959,1200 1.602,1201 1.549,1202 1.777,1203 1.773,1204 0.905,1205 1.785,1206 1.522,1207 1.465,1208 1.745,1209 1.667,1210 0.833,1211 1.7,1212 1.157,1213 1.092,1214 1.464,1215 1.384,1216 0.763,1217 1.392,1218 1.025,1219 0.936,1220 1.282,1221 1.339,1222 0.326,1223 1.365,1224 0.913,1225 0.796,1226 1.21,1227 1.282,1228 0.257,1229 1.279,1230 0.802,1231 0.735,1232 1.122,1233 1.024,1234 0.082,1235 1.073,1236 3.97,1238 5.323,1239 2.398,1240 6.878,1241 4.844,1242 8.531,1243 7.034,1244 10.233,1246 2.037,1250 11.797,1252 4.879,1255 1.753,1262 26.982,1263 64.67,1264 155.304,1265 188.968,1266 199.722,1267 205.722,1268 209.722,1269 27.634,1270 7.463,1271 93.61,1272 118.91,1273 23,1274 12.617,1275 4.087,1276 3.17,1277 31.704,1278 70,1279 66,1280 0.227,1281 168.877,1282 275.55,1283 403.821,1284 17269,1286 15.974,1287 0.695,1288 0.601,1289 16.328,1290 13.834,1291 11.131,1292 0.428,1293 0.333,1294 7.837,1295 10.426,1296 7.556,1297 6.26,1298 11.539,1299 8.648,1300 10.403,1301 0.274,1302 0.185,1303 11.019,1304 7.025,1305 8.879,1306 0.168,1307 0.108,1308 9.757,1309 5.71,1310 8.187,1311 0.109,1312 0.061,1313 9.19,1314 4.542,1315 6.518,1316 0.069,1317 0.036,1318 7.515,1319 3.384,1320 0.343,1321 72.671,1322 0.239,1323 21.993,1324 0.662,1325 128,1326 303.108,1327 162.115,1328 327.763,1329 467.55,1330 308,1331 155,1332 350.32,1333 188.159,1334 374.097,1335 555.16,1336 354,1337 4.399}
{0 CHEMBL600413,1 1.79,2 8.4,3 2.899,4 8.407,5 85.752,6 9.557,7 0.727,8 3.604,9 3.727,10 3.424,11 3.234,12 4.82,13 3.193,14 4.043,15 4.188,16 3.868,17 3.637,18 5.273,19 3.56,20 4.209,21 4.362,22 3.945,23 3.743,24 5.355,25 3.629,26 4.206,27 4.371,28 3.796,29 3.654,30 5.378,31 3.519,32 4.146,33 4.346,34 3.625,35 3.53,36 5.259,37 3.426,38 4.191,39 4.42,40 3.396,41 3.466,42 5.243,43 3.354,44 4.145,45 4.414,46 3.2,47 3.296,48 5.162,49 3.149,50 3.869,51 4.166,52 3.129,53 2.956,54 4.882,55 2.803,56 0.083,57 0.534,58 4.608,59 2.464,60 10.808,61 2.66,62 0.175,63 0.816,64 9.183,65 4.728,66 17.689,67 5.547,68 0.224,69 0.943,70 16.572,71 5.837,72 19.25,73 5.801,74 0.264,75 0.947,76 21.568,77 6.905,78 23.119,79 7.307,80 0.242,81 0.846,82 15.98,83 4.926,84 24.442,85 5.111,86 0.187,87 0.827,88 12.57,89 5.173,90 21.383,91 6.691,92 0.242,93 0.734,94 17.263,95 5.583,96 28.833,97 6.826,98 0.226,99 0.476,100 15.026,101 4.385,102 24.82,103 5.763,104 17,105 32,106 0.332,107 0.705,108 0.784,109 0.83,110 0.83,111 0.83,112 3.059,113 0.966,114 -4.75,115 -4.67,116 -4.39,119 40.6,120 1,139 4,140 1,141 3,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 2,169 1,170 2,172 3,173 4,175 3,178 7,180 1,187 1,189 8,193 3,195 1,196 2,197 3,198 2,200 4,201 2,204 2,205 1,207 1,212 3,215 5,218 1,221 4,226 6,229 2,231 4,234 4,239 2,241 1,243 2,251 3,254 1,256 2,260 2,265 3,270 3,273 480,274 13.171,275 13.171,276 13.171,277 13.171,278 13.171,279 11.115,280 12.574,281 7.585,282 13.713,283 10.855,284 10.855,285 10.855,286 10.855,287 10.855,288 7.814,289 12.004,290 3.636,291 11.849,292 3.21,293 1.199,294 0.774,295 0.524,296 0.524,297 0.524,298 3.733,299 1,300 1,301 1,302 1,303 360,304 2.236,306 39.127,307 106.318,310 74.176,314 1.14,315 16.459,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 42.833,327 168,328 4.707,329 4.593,330 6.909,331 4.218,332 3.271,333 4.68,334 2.95,335 11.585,336 3.095,337 4.024,338 3.385,339 5.728,340 3.548,341 2.634,342 3.623,344 7.727,345 2.382,346 3.819,347 2.902,348 5.364,349 3.354,350 2.433,351 3.309,353 6.879,354 2.235,355 3.453,356 2.763,357 5.137,358 2.968,359 2.081,360 2.827,362 6.032,363 1.879,364 3.39,365 2.236,366 4.948,367 2.921,368 2.022,369 2.689,371 5.708,372 1.717,373 3.187,374 2.13,375 4.865,376 2.711,377 1.779,378 2.45,380 5.344,381 1.628,382 2.537,383 1.799,384 4.211,385 2.111,386 1.21,387 1.548,389 3.414,390 1.073,391 2.5,392 1.059,393 3.414,394 2,395 1,396 1.5,398 2.275,399 1,400 1.487,401 1,402 3.091,403 1.068,404 0.23,405 0.278,407 0.592,408 0.179,409 1.143,410 0.534,411 2.728,412 0.67,413 -0.235,414 -0.303,415 -0.61,416 -0.191,417 1.01,418 -0.014,419 2.47,420 0.576,421 -0.286,422 -0.357,423 -0.713,424 -0.235,425 0.664,426 -0.112,427 2.306,428 0.329,429 -0.577,430 -0.671,431 -1.348,432 -0.515,433 0.5,434 -0.333,435 2,437 -0.89,438 -1.041,439 -2.308,440 -0.686,441 0.318,442 -0.613,443 1.851,444 -0.028,445 -1,446 -1.489,448 -3,449 -1,450 0.145,451 -1,452 1.659,453 -0.261,454 -1.158,455 -1.5,457 -3.099,458 -1.027,459 10.048,460 0.502,461 0.63,462 0.032,463 28.75,464 1.438,465 15.5,466 0.775,467 13.25,468 0.663,469 14.237,470 0.712,471 20.552,472 0.642,473 18.051,474 0.903,475 5.532,476 0.277,477 4.009,478 0.2,479 0.2,481 0.398,485 1.047,486 1.027,487 0.629,488 0.64,489 1.229,490 0.657,491 0.451,492 0.809,493 0.616,494 0.737,495 0.361,496 0.723,497 1.298,498 1.143,499 1.258,500 1.129,501 1.051,502 0.973,503 0.634,504 1.251,505 1.413,506 1.672,507 0.649,508 1.279,509 1.22,510 1.016,511 0.827,512 0.908,513 1.247,514 1.031,515 0.786,516 1.142,517 0.617,518 0.934,519 0.819,520 1.136,521 1.019,522 0.981,523 0.822,524 0.896,525 1.089,526 1.018,527 0.935,528 0.758,529 0.679,530 0.574,531 0.971,532 0.718,533 5,534 0.041,535 2.222,536 2.042,537 1.387,538 0.806,539 0.313,540 0.266,541 0.207,542 0.04,543 3545,544 12200,545 2.048,546 37.5,548 4,551 5,552 3,555 1.62,556 1.875,557 3.022,558 2.917,560 1,562 1,564 57.265,565 1.79,566 3.801,567 4.226,568 4.476,569 4.476,570 4.476,571 2.428,572 4.022,573 4.293,574 3.124,575 593.556,576 7.345,577 5876.03,578 1,579 1,580 1,581 1,582 160,583 1.522,584 4.231,585 0.227,586 0.021,587 0.069,588 0.066,589 0.051,590 0.035,591 0.016,592 0.018,593 0.019,594 0.007,595 0.529,596 0.17,597 1,598 0.68,599 87.24,600 -0.256,601 0.104,602 -0.004,603 0.18,604 -0.374,605 0.132,606 0.323,607 0.259,608 0.162,609 0.197,610 0.325,611 0.164,612 -0.316,613 -0.035,614 -0.159,615 -0.012,616 -0.23,617 -0.065,618 0.227,619 -0.181,620 -0.244,621 -0.436,622 0.215,623 -0.291,624 -0.338,625 0.051,626 -0.095,627 -0.013,628 -0.32,629 -0.15,630 -0.051,631 -0.231,632 -0.003,633 -0.137,634 -0.034,635 -0.176,636 -0.118,637 -0.1,638 0.01,639 0.01,640 -0.12,641 0.014,642 0.168,643 0.002,644 0.368,645 0.33,646 0.158,647 0.401,648 1.501,649 1.963,650 0.75,651 13,652 1.014,653 1.126,654 3.525,655 12.422,656 0.737,657 3.135,658 3.497,659 3.761,660 4.078,661 4.29,662 4.331,663 4.357,664 4.477,665 4.419,666 4.263,667 4.813,668 0.695,669 305.82,670 3.135,671 4.691,672 5.549,673 6.45,674 7.331,675 8.238,676 9.128,677 10.038,678 10.934,679 11.846,680 15.6,684 2,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,717 1,718 32,719 16,720 1,721 22,723 34,724 13,725 12,726 2,727 4,729 3,730 4,731 1,734 1,741 12,742 1,753 1,754 1,757 12,758 4,759 5,760 7,761 2,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 1,807 1,810 20,811 2,819 1,828 1,836 10.667,837 5.96,838 4.278,839 1.666,840 3.128,841 1.464,842 1.042,843 3.498,844 9.874,845 3.434,846 4.139,847 4.768,848 5.43,849 5.968,850 6.261,851 6.604,852 7.04,853 7.199,854 7.361,855 0.833,856 31,857 7.299,859 3.096,860 7.789,861 13.751,863 11.208,865 2.289,866 45.778,870 82.398,871 96.824,872 116.151,873 39.149,876 32.22,877 64.604,878 121.546,879 116.151,880 8.825,882 103.699,883 35.286,884 25.961,885 6.984,886 114.617,887 39.149,888 82.398,889 180.755,891 71.368,893 82.398,897 29.225,898 117.959,899 72.72,900 32.22,901 82.398,902 116.151,903 135.972,906 82.398,907 50.094,908 46.73,909 16.786,910 138.514,911 82.398,912 116.151,913 135.972,915 0.595,916 0.342,917 0.191,918 0.109,919 17,920 8,921 0.059,922 2,923 1,924 1.133,925 3.172,926 154.702,927 0.133,928 15,929 82.439,930 1,933 13.55,934 5.163,935 2.598,936 1.459,937 99.365,938 7.622,939 8.192,940 3.182,943 4.3,945 82.58,946 334.521,947 30,956 32.444,957 36.016,958 0.358,959 0.76,960 0.845,961 0.895,962 0.895,963 0.895,964 4.673,965 1,966 5.565,967 3.414,968 4.174,969 4.824,970 2.913,971 6.405,972 4.006,973 5.93,974 0.23,975 7.143,976 2.275,977 3.892,978 4.808,980 7.349,981 3.619,982 7.268,983 -0.235,984 8.817,985 0.592,986 5.796,987 7.15,988 5.027,989 10.479,990 5.49,991 8.641,992 -0.286,993 10.547,994 -0.61,995 6.275,996 7.927,998 12.292,999 5.888,1000 10.044,1001 -0.577,1002 12.316,1003 -0.713,1004 7.713,1005 9.786,1006 7.185,1007 14.973,1008 7.295,1009 11.469,1010 -0.89,1011 14.113,1012 -1.348,1013 8.561,1014 10.959,1016 17.176,1017 8.082,1018 12.915,1019 -1,1020 15.935,1021 -2.308,1022 9.822,1023 12.622,1024 9.348,1025 19.703,1026 9.308,1027 3.271,1028 -1.158,1029 17.776,1030 -3,1031 10.849,1032 13.994,1034 22.062,1035 10.281,1036 2.634,1037 11.585,1038 19.634,1039 -3.099,1040 12.047,1041 15.577,1042 11.511,1043 24.537,1044 11.439,1045 2.433,1046 7.727,1047 21.507,1048 4.68,1049 13.157,1050 17.042,1052 26.954,1053 12.498,1054 2.081,1055 6.879,1056 23.391,1057 3.623,1058 14.336,1059 18.597,1060 13.675,1061 29.412,1062 13.632,1063 2.022,1064 6.032,1065 25.284,1066 3.309,1067 15.485,1068 20.104,1070 31.85,1071 14.73,1072 1.779,1073 5.708,1074 27.186,1075 2.827,1076 16.661,1077 21.648,1078 15.838,1079 34.302,1080 15.858,1081 1.21,1082 5.344,1083 29.093,1084 2.689,1085 17.827,1086 23.174,1088 36.748,1089 16.972,1090 3504,1091 6604,1092 14.334,1093 23.58,1094 33.662,1095 36.674,1096 34.97,1097 33.433,1098 33.322,1099 45.808,1100 5.9,1101 99.111,1102 30.376,1103 5.48,1104 6.593,1105 6.323,1106 5.365,1107 5.271,1108 7.68,1109 5.9,1110 18.633,1111 5.095,1112 10.7,1113 1.53,1114 1.667,1115 1.59,1116 1.52,1117 1.515,1118 2.082,1119 0.268,1120 4.505,1121 1.381,1122 4.109,1123 4.15,1124 4.2,1125 4.013,1126 5.318,1127 4.009,1128 3.865,1129 3.886,1130 3.975,1131 3.816,1132 4.981,1133 3.807,1134 3.47,1135 3.551,1136 3.617,1137 3.26,1138 4.937,1139 3.275,1140 3.107,1141 3.222,1142 3.339,1143 2.973,1144 4.75,1145 2.902,1146 2.968,1147 3.086,1148 3.008,1149 2.775,1150 4.303,1151 2.787,1152 2.911,1153 2.925,1154 2.86,1155 2.735,1156 4.124,1157 2.715,1158 2.854,1159 2.921,1160 2.739,1161 2.674,1162 3.747,1163 2.687,1164 2.466,1165 2.579,1166 2.687,1167 2.31,1168 3.674,1169 2.254,1170 0.214,1171 0.209,1172 0.314,1173 0.192,1174 0.149,1175 4.707,1176 0.213,1177 4.593,1178 0.134,1179 6.909,1180 0.527,1181 4.218,1182 0.141,1183 3.271,1184 4.68,1185 2.95,1186 11.585,1187 3.095,1188 1.884,1189 1.87,1190 1.94,1191 2.004,1192 1.086,1193 1.971,1194 1.793,1195 1.755,1196 1.83,1197 1.922,1198 0.939,1199 1.938,1200 1.583,1201 1.53,1202 1.767,1203 1.763,1204 0.833,1205 1.77,1206 1.038,1207 0.965,1208 1.282,1209 1.383,1210 0.26,1211 1.368,1212 0.914,1213 0.825,1214 1.21,1215 1.283,1216 0.218,1217 1.28,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.075,1223 1.107,1224 0.864,1225 0.795,1226 1.029,1227 1.034,1229 1.086,1230 0.646,1231 0.545,1232 0.881,1233 0.862,1235 0.898,1236 3.807,1238 5.153,1239 2.398,1240 6.686,1241 4.844,1242 8.309,1243 7.034,1244 9.983,1246 1.968,1247 5.893,1250 11.573,1255 1.588,1262 22.229,1263 57.265,1264 121.635,1265 135.245,1266 143.245,1267 143.245,1268 143.245,1269 24.678,1270 6.746,1271 93.61,1272 118.91,1273 17,1274 12.363,1275 4.087,1276 3.17,1277 29.894,1278 56,1279 64,1280 0.266,1281 146.234,1282 233.92,1283 348.571,1284 6564,1285 3.1,1286 14.276,1287 0.714,1288 0.611,1289 15.129,1290 12.217,1291 9.542,1292 0.434,1293 0.322,1294 5.926,1295 8.513,1296 5.65,1297 4.69,1298 10.239,1299 7.085,1300 9.13,1301 0.285,1302 0.183,1303 10.18,1304 5.846,1305 7.321,1306 0.174,1307 0.103,1308 8.454,1309 4.336,1310 6.422,1311 0.111,1312 0.054,1313 7.472,1314 3.122,1315 5.126,1316 0.071,1317 0.033,1318 6.397,1319 2.371,1320 0.403,1321 66.31,1322 0.264,1323 19.581,1324 0.774,1325 108,1326 307.311,1327 157.635,1328 359.38,1329 489.72,1330 334,1331 128,1332 335.183,1333 169.247,1334 367.583,1335 539.42,1336 346,1337 4.429}
{0 CHEMBL60069,1 1.606,2 9.261,3 2.416,4 5.838,5 90.782,6 7.076,7 0.5,8 3.897,9 4.025,10 3.398,11 3.306,12 5.052,13 3.31,14 4.399,15 4.587,16 3.694,17 3.628,18 5.486,19 3.612,20 4.52,21 4.695,22 3.81,23 3.761,24 5.616,25 3.736,26 4.638,27 4.838,28 3.783,29 3.814,30 5.718,31 3.762,32 4.71,33 4.911,34 3.692,35 3.841,36 5.703,37 3.771,38 4.7,39 4.918,40 3.624,41 3.822,42 5.653,43 3.725,44 4.76,45 5.032,46 3.604,47 3.746,48 5.696,49 3.622,50 4.59,51 4.845,52 3.386,53 3.596,54 5.551,55 3.466,56 0.071,57 0.632,58 10.181,59 3.715,60 11.703,61 5.221,62 0.364,63 0.893,64 18.65,65 6.169,66 31.128,67 8.409,68 0.436,69 1.027,70 20.686,71 6.604,72 29.264,73 9.562,74 0.447,75 1.094,76 23.693,77 7.569,78 41.626,79 10.853,80 0.518,81 1.113,82 26.107,83 7.951,84 43.472,85 11.281,86 0.38,87 1.115,88 25.44,89 8.009,90 36.097,91 11.806,92 0.652,93 1.04,94 28.502,95 8.524,96 51.588,97 13.045,98 0.474,99 0.923,100 23.607,101 6.867,102 41.521,103 10.693,104 37,105 32,106 0.282,107 0.609,108 0.791,109 0.822,110 0.838,111 0.869,112 3.188,113 0.916,114 -3,115 -3,116 -2.89,119 35.6,120 1,121 2,124 2,125 1,139 2,140 2,141 3,142 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 5,172 3,173 3,175 1,178 4,180 1,181 2,182 7,187 1,189 2,191 1,192 1,193 7,195 1,196 1,197 1,198 2,200 2,201 1,204 2,205 1,207 8,212 3,215 2,218 3,221 3,226 1,229 3,231 1,233 4,234 1,236 2,237 2,239 2,241 3,243 2,245 2,248 1,249 1,254 1,260 2,262 2,263 2,265 1,270 1,273 735,274 15.541,275 15.541,276 15.541,277 15.541,278 15.541,279 13.988,280 22.999,281 9.304,282 16.19,283 11.68,284 11.68,285 11.68,286 11.68,287 11.68,288 9.225,289 31.315,290 4.189,291 12.545,292 3.886,293 2.019,294 0.984,295 0.806,296 0.717,297 0.539,298 3.849,300 1,301 1,302 1,303 430,304 3.082,307 161.566,314 1.316,315 22.943,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 51,327 213,328 4.431,329 3.393,330 6.528,331 4.026,332 3.075,333 4.114,334 0.86,335 10.289,336 2.927,337 4.228,338 3.078,339 6.088,340 3.81,341 2.856,342 3.875,343 0.86,344 8.842,345 2.72,346 3.6,347 2.607,348 5.281,349 3.232,350 2.279,351 2.934,352 0.86,353 6.715,354 2.166,355 3.373,356 2.537,357 5.208,358 3.007,359 2.101,360 2.663,361 0.68,362 6.229,363 1.895,364 3.362,365 2.184,366 4.921,367 2.939,368 1.999,369 2.617,371 5.65,372 1.868,373 2.823,374 2.034,375 4.148,376 2.402,377 1.472,378 1.952,380 3.674,381 1.364,382 2.513,383 1.586,384 3.856,385 2.351,386 1.417,387 1.514,389 2.962,390 1.32,391 2.11,392 1.455,393 3.334,394 1.898,395 1.035,396 1.088,398 2.029,399 0.884,400 1.612,401 0.984,402 2.985,403 1.326,404 0.415,405 0.474,407 0.864,408 0.372,409 1.497,410 0.627,411 2.778,412 1.222,413 0.321,414 0.366,415 0.522,416 0.288,417 1.311,418 0.585,419 2.446,420 1.111,421 0.225,422 0.241,423 0.326,424 0.198,425 0.958,426 0.148,427 2.359,428 0.634,429 -0.296,430 -0.35,431 -0.57,432 -0.272,433 0.796,434 -0.283,435 2.304,436 0.393,437 -0.514,438 -0.621,439 -1.242,440 -0.466,441 0.69,442 -0.314,443 2.246,444 0.349,445 -0.598,446 -0.704,448 -1.33,449 -0.558,450 0.471,451 -0.323,452 1.858,453 0.172,454 -0.748,455 -0.878,457 -1.728,458 -0.678,459 10.6,460 0.461,461 0.503,462 0.022,463 29.5,464 1.283,465 14.5,466 0.63,467 15,468 0.652,469 17.97,470 0.781,471 26.6,472 0.591,473 21.674,474 0.942,475 5.989,476 0.26,477 5.094,478 0.221,479 0.217,481 0.33,485 1.011,486 1.449,487 0.872,488 1.28,489 1.176,490 1.067,491 1.232,492 0.834,493 0.833,494 0.865,495 0.809,496 0.801,497 1.004,498 1.211,499 0.92,500 1.109,501 0.876,502 1.01,503 1.063,504 1.059,505 1.025,506 1.142,507 0.967,508 1.085,509 1.578,510 1.047,511 1.247,512 1.055,513 1.279,514 1.101,515 1.167,516 1.214,517 1.191,518 1.261,519 1.096,520 1.242,521 0.689,522 0.878,523 0.785,524 0.931,525 0.495,526 0.905,527 0.884,528 1.158,529 1.031,530 1.147,531 0.872,532 1.14,533 5,534 0.066,535 2.444,536 1.813,537 1.538,538 0.674,539 0.649,540 0.385,541 0.214,542 0.162,543 4828,544 13806,545 1.946,546 48.9,547 5,548 10,550 1,551 4,553 2,555 1.662,556 1.792,557 3.185,558 1.865,559 1,560 1,562 1,564 72.271,565 1.606,566 3.473,567 4.508,568 4.686,569 4.775,570 4.953,571 2.637,572 4.35,573 4.492,574 3.31,575 837.372,576 7.765,577 9550.51,579 1,581 1,582 247.133,583 1.51,584 4.433,585 0.208,586 0.008,587 0.076,588 0.052,589 0.047,590 0.022,591 0.024,592 0.015,593 0.011,594 0.012,595 0.475,596 0.17,597 1,598 1.452,599 106.97,600 -0.102,601 -0.139,602 0.033,603 -0.102,604 -0.188,605 -0.01,606 -0.039,607 0.247,608 0.152,609 0.195,610 0.132,611 0.198,612 0.097,613 -0.087,614 0.041,615 -0.028,616 0.038,618 0.003,619 0.018,620 -0.06,621 -0.096,622 0.022,623 -0.087,624 -0.311,625 -0.039,626 -0.254,627 -0.022,628 -0.279,629 -0.118,630 -0.177,631 -0.189,632 -0.235,633 -0.221,634 -0.205,635 -0.238,636 0.259,637 -0.012,638 0.2,639 0.043,640 0.337,641 0.089,642 0.065,643 -0.232,644 -0.058,645 -0.167,646 0.044,647 -0.153,648 1.509,649 2.26,650 0.522,651 19.085,652 1.008,653 1.141,654 1.767,655 3.121,656 0.628,657 3.219,658 3.497,659 3.738,660 3.97,661 4.159,662 4.159,663 4.205,664 4.234,665 4.263,666 4.159,667 5.521,668 0.599,669 318.42,670 3.219,671 4.727,672 5.557,673 6.422,674 7.274,675 8.146,676 9.008,677 9.882,678 10.748,679 11.623,680 8.9,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 3,718 45,719 12,720 1,721 24,723 46,724 16,725 10,726 4,727 2,729 2,730 2,734 1,739 2,741 10,742 6,753 1,754 1,757 22,758 7,759 4,760 7,764 4,769 1,770 3,776 1,781 2,802 2,806 3,810 23,811 2,816 3,818 3,829 6.7,834 3,836 12.833,837 8.817,838 5.417,839 2.529,840 2.246,841 1.343,842 0.932,843 6.157,844 8.784,845 3.434,846 4.007,847 4.549,848 5.081,849 5.588,850 5.72,851 5.932,852 6.259,853 6.59,854 6.817,855 1,856 35,857 8.424,859 3.348,860 7.79,861 15.873,863 12.007,865 2.29,866 52.667,869 1,870 211.88,871 94.581,872 99.365,874 33,877 94.581,878 244.879,879 99.365,880 30.591,881 9.661,882 84.747,883 45.342,884 64.149,885 4.227,886 200.109,888 211.88,889 193.947,890 33,893 188.338,894 56.542,897 29.433,898 130.942,899 33.571,901 211.88,902 132.365,903 94.581,906 211.88,907 35.99,908 58.591,910 132.365,911 211.88,912 132.365,913 94.581,915 0.56,916 0.336,917 0.188,918 0.105,919 13,920 7,921 0.152,922 7,924 1,925 3.382,926 173.771,928 12,929 104.042,933 17.47,934 8.105,935 4.315,937 132.365,938 5.418,939 7.959,943 4.075,945 65.794,946 438.826,947 30,956 45.342,957 51.358,958 0.292,959 0.632,960 0.821,961 0.853,962 0.869,963 0.902,964 4.644,965 1.035,966 5.533,967 2.962,968 4.174,969 4.691,970 1.85,971 6.326,972 4.046,973 5.842,974 0.415,975 7.084,976 2.029,977 3.761,978 4.559,980 7.209,981 3.601,982 7.148,983 0.321,984 8.734,985 0.864,986 5.746,987 6.884,988 1.55,989 10.283,990 5.519,991 8.492,992 0.225,993 10.442,994 0.522,995 6.133,996 7.524,998 11.964,999 5.866,1000 9.866,1001 -0.296,1002 12.185,1003 0.326,1004 7.593,1005 9.355,1006 1.288,1007 14.561,1008 7.278,1009 11.26,1010 -0.514,1011 13.953,1012 -0.57,1013 8.36,1014 10.356,1016 16.589,1017 7.996,1018 12.67,1019 -0.598,1020 15.738,1021 -1.242,1022 9.606,1023 11.975,1024 1.06,1025 19.012,1026 9.203,1027 3.075,1028 -0.748,1029 17.538,1030 -1.33,1031 10.554,1032 13.16,1034 21.197,1035 10.098,1036 2.856,1037 10.289,1038 19.348,1039 -1.728,1040 11.713,1041 14.675,1042 0.863,1043 23.554,1044 11.216,1045 2.279,1046 8.842,1047 21.167,1048 4.114,1049 12.745,1050 15.958,1052 25.81,1053 12.196,1054 2.101,1055 6.715,1056 22.994,1057 3.875,1058 13.87,1059 17.419,1060 0.694,1061 28.142,1062 13.278,1063 1.999,1064 6.229,1065 24.827,1066 2.934,1067 14.942,1068 18.754,1070 30.432,1071 14.297,1072 1.472,1073 5.65,1074 26.665,1075 2.663,1076 16.054,1077 20.187,1078 0.551,1079 32.757,1080 15.365,1081 1.417,1082 3.674,1083 28.507,1084 2.617,1085 17.145,1086 21.551,1088 35.063,1089 16.404,1090 5017,1091 8603,1092 15.315,1093 28.239,1094 34.222,1095 35.426,1096 36.922,1097 34.296,1098 34.389,1099 43.675,1100 6.52,1101 96.207,1102 32.002,1103 5.242,1104 5.393,1105 6.388,1106 5.095,1107 5.075,1108 7.114,1109 1.72,1110 17.223,1111 4.927,1112 13.595,1113 1.426,1114 1.476,1115 1.538,1116 1.429,1117 1.433,1118 1.82,1119 0.272,1120 4.009,1121 1.333,1122 3.992,1123 4.017,1124 3.95,1125 3.894,1126 5.291,1127 3.903,1128 3.815,1129 3.855,1130 3.782,1131 3.647,1132 4.982,1133 3.675,1134 3.585,1135 3.653,1136 3.405,1137 3.418,1138 4.958,1139 3.402,1140 3.318,1141 3.377,1142 3.192,1143 3.078,1144 4.555,1145 3.099,1146 3.249,1147 3.314,1148 3.061,1149 2.953,1150 4.471,1151 2.966,1152 3.128,1153 3.227,1154 2.963,1155 2.859,1156 4.438,1157 2.867,1158 3.007,1159 3.11,1160 2.828,1161 2.715,1162 4.191,1163 2.725,1164 2.917,1165 3.017,1166 2.726,1167 2.622,1168 3.914,1169 2.637,1170 0.185,1171 0.141,1172 0.272,1173 0.168,1174 0.128,1175 4.431,1176 0.171,1177 3.393,1178 0.036,1179 6.528,1180 0.429,1181 4.026,1182 0.122,1183 3.075,1184 4.114,1185 0.86,1186 10.289,1187 2.927,1188 1.929,1189 1.912,1190 2.018,1191 2.051,1192 1.213,1193 2.039,1194 1.731,1195 1.693,1196 1.899,1197 1.93,1198 1.125,1199 1.902,1200 1.589,1201 1.52,1202 1.798,1203 1.792,1204 0.862,1205 1.82,1206 1.248,1207 1.187,1208 1.575,1209 1.539,1210 0.574,1211 1.549,1212 1.19,1213 1.115,1214 1.569,1215 1.522,1216 0.572,1217 1.538,1218 1.074,1219 0.989,1220 1.37,1221 1.391,1222 0.464,1223 1.389,1224 0.938,1225 0.849,1226 1.309,1227 1.294,1228 0.353,1229 1.302,1230 0.866,1231 0.748,1232 1.215,1233 1.205,1234 0.094,1235 1.231,1236 3.892,1238 5.176,1240 6.668,1242 8.264,1244 9.913,1246 5.216,1250 11.42,1252 2.027,1254 16.55,1262 26.971,1263 72.271,1264 156.265,1265 202.869,1266 210.869,1267 214.869,1268 222.869,1269 40.535,1270 6.538,1271 105.51,1272 105.51,1273 12,1274 12.164,1275 3.7,1276 2.807,1277 45.028,1278 75,1279 78,1280 0.299,1281 171.063,1282 293.37,1283 409.153,1284 4872,1286 16.82,1287 0.731,1288 0.592,1289 16.82,1290 13.627,1291 11.083,1292 0.462,1293 0.305,1294 7.164,1295 10.443,1296 6.905,1297 5.844,1298 11.083,1299 7.332,1300 9.371,1301 0.293,1302 0.156,1303 9.371,1304 4.993,1305 7.653,1306 0.187,1307 0.08,1308 7.653,1309 3.278,1310 6.32,1311 0.122,1312 0.042,1313 6.32,1314 2.195,1315 4.962,1316 0.079,1317 0.024,1318 4.962,1319 1.495,1320 0.458,1321 71.078,1322 0.256,1323 22.363,1324 0.85,1325 112,1326 375.121,1327 127.35,1328 351.267,1329 476.45,1330 330,1331 129,1332 346.517,1333 144.516,1334 350.972,1335 507.8,1336 325,1337 4.025}
{0 CHEMBL601520,1 1.539,2 11.107,3 3.421,4 11.706,5 113.042,6 7.76,7 0.781,8 4.007,9 4.136,10 3.618,11 3.546,12 5.152,13 3.547,14 4.506,15 4.669,16 4.015,17 3.959,18 5.622,19 3.941,20 4.707,21 4.903,22 4.064,23 4.084,24 5.72,25 4.046,26 4.794,27 4.983,28 4.038,29 4.129,30 5.873,31 4.055,32 4.837,33 5.068,34 3.773,35 4.066,36 5.801,37 3.94,38 4.749,39 5.018,40 3.598,41 3.924,42 5.586,43 3.776,44 4.552,45 4.819,46 3.511,47 3.701,48 5.45,49 3.592,50 4.363,51 4.61,52 3.479,53 3.587,54 5.326,55 3.517,56 0.056,57 0.776,58 9.337,59 3.776,60 11.065,61 4.882,62 0.245,63 1.23,64 16.919,65 6.744,66 23.647,67 8.928,68 0.184,69 1.455,70 21.905,71 7.944,72 17.757,73 10.946,74 0.4,75 1.527,76 23.927,77 9.354,78 36.997,79 12.742,80 0.401,81 1.507,82 27.224,83 10.024,84 43.05,85 13.714,86 0.201,87 1.314,88 26.43,89 9.893,90 30.802,91 14.337,92 0.247,93 1.085,94 22.054,95 7.547,96 29.875,97 10.855,98 0.212,99 0.946,100 17.44,101 5.595,102 24.717,103 7.97,104 11,105 47,106 0.256,107 0.632,108 0.775,109 0.864,110 0.885,111 0.885,112 3.375,113 0.862,114 -4.4,115 -4.33,116 -4.08,119 43.8,120 1,125 2,139 7,140 4,141 1,144 1,147 1,148 1,149 2,155 1,157 2,158 2,159 2,166 8,169 2,170 9,172 3,173 3,175 4,178 8,180 1,182 6,187 4,189 8,191 1,192 1,193 1,195 3,196 4,197 1,198 2,200 2,201 12,204 1,205 1,210 3,211 1,212 2,214 1,215 13,218 1,221 2,226 2,229 6,234 7,238 1,239 4,240 1,241 2,243 2,246 6,251 2,254 3,256 2,259 1,260 3,265 3,268 4,270 3,273 1108,274 19.317,275 19.317,276 19.317,277 19.317,278 19.317,279 16.416,280 20.78,281 11.112,282 19.686,283 15.752,284 15.752,285 15.752,286 15.752,287 15.752,288 11.247,289 27.766,290 5.168,291 16.336,292 4.046,293 1.785,294 0.925,295 0.391,296 0.266,297 0.266,298 4.088,301 1,302 1,303 700,304 2.915,306 100.016,307 186.711,310 277.859,314 1.543,315 20.245,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 60,327 311,328 4.822,329 3.378,330 7.048,331 4.319,332 3.349,333 4.929,334 0.657,335 12.146,336 3.252,337 4.638,338 3.269,339 6.78,340 4.164,341 3.188,342 4.608,344 11.107,345 3.116,346 3.929,347 2.681,348 5.771,349 3.498,350 2.53,351 3.552,353 7.773,354 2.45,355 3.709,356 2.459,357 5.699,358 3.262,359 2.324,360 3.16,362 7.302,363 2.179,364 3.635,365 2.262,366 5.333,367 3.171,368 2.207,369 3.106,371 6.738,372 2.116,373 3.414,374 2.098,375 5.19,376 2.966,377 2,378 2.793,380 6.274,381 1.928,382 3.392,383 2.064,384 5.063,385 2.921,386 1.978,387 2.752,389 5.79,390 1.864,391 3.048,392 1.885,393 4.753,394 2.668,395 1.704,396 2.225,398 4.954,399 1.636,400 2.908,401 1.43,402 3.895,403 2.413,404 1.419,405 2.107,407 3.179,408 1.409,409 2.5,410 1.143,411 3.774,412 2.039,413 1.061,414 1.5,415 2.558,416 1.035,417 2.391,418 1,419 3.589,420 2,421 1,422 1.359,423 2.423,424 1,425 2.301,426 0.938,427 3.556,428 1.84,429 0.862,430 1.218,431 2.117,432 0.841,433 1.832,434 0.786,435 3.264,436 1.569,437 0.623,438 0.731,439 1.514,440 0.588,441 1.468,442 0.262,443 2.766,444 1.191,445 0.217,446 0.264,448 0.361,449 0.211,450 1.122,451 -0.044,452 2.686,453 0.716,454 -0.221,455 -0.28,457 -0.586,458 -0.207,459 13.233,460 0.473,461 0.692,462 0.025,463 40.75,464 1.455,465 21.5,466 0.768,467 19.25,468 0.688,469 20.371,470 0.728,471 28.767,472 0.599,473 29.476,474 1.053,475 7.995,476 0.286,477 5.658,478 0.202,479 0.098,481 0.408,485 1.081,486 1.206,487 0.776,488 0.923,489 1.22,490 0.816,491 0.788,492 0.959,493 0.741,494 0.886,495 0.492,496 0.824,497 1.005,498 1.097,499 0.878,500 0.935,501 0.796,502 0.885,503 0.754,504 1.11,505 1.074,506 1.196,507 0.613,508 1.193,509 1.069,510 0.895,511 1.278,512 1.144,513 1.194,514 1.235,515 0.608,516 0.984,517 0.964,518 1.107,519 0.694,520 1.091,521 0.931,522 0.904,523 0.91,524 0.926,525 0.734,526 0.92,527 1.194,528 0.884,529 0.964,530 0.814,531 1.122,532 0.838,533 5,534 0.207,535 3.333,536 3.146,537 1.56,538 0.862,539 0.49,540 0.224,541 0.277,542 0.242,543 10551,544 26546,545 2.177,546 41.7,548 11,549 1,551 5,553 3,555 1.708,556 2.049,557 3.413,558 2.467,560 1,564 73.891,565 1.539,566 3.8,567 4.66,568 5.194,569 5.319,570 5.319,571 2.856,572 4.593,573 4.784,574 3.582,575 1354.05,576 8.3,577 17727.9,579 1,581 1,582 268.078,583 1.375,584 4.745,585 0.156,586 0.008,587 0.071,588 0.064,589 0.035,590 0.026,591 0.017,592 0.009,593 0.011,594 0.009,595 0.406,597 0.88,598 0.689,599 140.32,600 -0.145,601 -0.043,602 0.037,603 0.047,604 -0.253,605 0.071,606 0.196,607 0.137,608 0.133,609 0.093,610 0.258,611 0.098,612 -0.114,613 -0.036,614 0.031,615 0.036,616 -0.047,617 0.058,618 0.22,619 -0.088,620 -0.161,621 -0.205,622 0.238,623 -0.238,624 -0.103,625 0.068,626 -0.309,627 -0.151,628 -0.221,629 -0.248,630 0.046,631 -0.106,632 0.039,633 -0.071,634 0.003,635 -0.025,636 0.007,637 -0.005,638 0.124,639 0.075,640 0.122,641 0.109,642 -0.165,643 0.099,644 0.04,645 0.147,646 -0.119,647 0.135,648 1.559,649 2.004,650 0.786,651 23.357,652 1.003,653 1.127,654 3.167,655 10.033,656 0.684,657 3.497,658 3.871,659 4.234,660 4.595,661 4.82,662 4.934,663 5.063,664 5.187,665 5.204,666 5.328,667 6.572,668 0.657,669 372.47,670 3.497,671 5.069,672 5.964,673 6.882,674 7.793,675 8.717,676 9.632,677 10.558,678 11.475,679 12.401,680 12.5,684 2,685 1,688 1,690 2,694 6,695 8,696 2,698 1,700 4,701 1,702 25,711 2,712 1,718 48,719 25,720 2,721 32,723 52,724 21,725 18,726 5,727 7,729 5,730 9,734 1,741 18,742 3,754 1,756 1,757 20,758 6,759 5,760 7,764 6,769 0.4,770 1,776 1,777 1,780 2,781 3,784 3,802 2,806 1,810 28,811 2,816 2,817 1,829 2.1,834 1,836 13.667,837 8.85,838 6.056,839 2.879,840 5.186,841 1.624,842 1.081,843 4.053,844 13.5,845 3.818,846 4.559,847 5.304,848 6.036,849 6.628,850 7.054,851 7.514,852 7.962,853 8.153,854 8.509,855 1,856 49,857 10.282,859 4.461,860 7.631,861 19.772,863 16.678,865 2.131,866 59.667,869 1,870 176.567,871 117.694,872 119.275,874 9.507,877 117.694,878 186.074,879 119.275,880 8.825,881 4.211,882 143.868,883 55.989,884 25.068,885 20.286,886 164.795,888 176.567,889 236.969,890 9.507,893 141.253,894 44.821,897 21.242,898 164.145,899 51.582,901 176.567,902 128.783,903 117.694,906 176.567,907 30.795,908 88.798,909 18.011,910 108.873,911 176.567,912 128.783,913 117.694,915 0.588,916 0.364,917 0.22,918 0.118,919 26,920 11,921 0.077,922 4,923 3,924 1.273,925 3.987,926 259.865,927 0.273,928 22,929 134.606,933 17.195,934 6.6,935 2.776,936 6.074,937 126.884,938 16.565,939 8.12,941 5.49,943 2.352,944 2.334,945 83.805,946 423.043,947 44.5,956 48.123,957 54.106,958 0.276,959 0.68,960 0.834,961 0.93,962 0.952,963 0.952,964 5.064,965 1.704,966 5.969,967 5.79,968 4.554,969 5.247,970 0.623,971 6.855,972 4.486,973 6.323,974 1.419,975 7.569,976 4.954,977 4.205,978 5.247,980 7.89,981 4.098,982 7.674,983 1.061,984 9.27,985 3.179,986 6.213,987 7.66,988 0.317,989 11.055,990 6.085,991 9.069,992 1,993 11.033,994 2.558,995 6.711,996 8.53,998 12.959,999 6.552,1000 10.498,1001 0.862,1002 12.836,1003 2.423,1004 8.192,1005 10.412,1006 0.149,1007 15.651,1008 8.013,1009 11.955,1010 0.623,1011 14.667,1012 2.117,1013 9.082,1014 11.683,1016 17.909,1017 8.876,1018 13.432,1019 0.217,1020 16.52,1021 1.514,1022 10.369,1023 13.367,1024 0.067,1025 20.452,1026 10.142,1027 3.349,1028 -0.221,1029 18.389,1030 0.361,1031 11.434,1032 14.817,1034 22.846,1035 11.181,1036 3.188,1037 12.146,1038 20.272,1039 -0.586,1040 12.652,1041 16.428,1042 0.03,1043 25.341,1044 12.376,1045 2.53,1046 11.107,1047 22.166,1048 4.929,1049 13.792,1050 17.952,1052 27.787,1053 13.489,1054 2.324,1055 7.773,1056 24.068,1057 4.608,1058 14.989,1059 19.539,1060 0.013,1061 30.269,1062 14.661,1063 2.207,1064 7.302,1065 25.978,1066 3.552,1067 16.159,1068 21.094,1070 32.734,1071 15.803,1072 2,1073 6.738,1074 27.893,1075 3.16,1076 17.351,1077 22.674,1078 0.006,1079 35.213,1080 16.969,1081 1.978,1082 6.274,1083 29.813,1084 3.106,1085 18.534,1086 24.243,1088 37.688,1089 18.124,1090 9699,1091 15566,1092 21.789,1093 32.819,1094 49.036,1095 48.966,1096 51.054,1097 49.003,1098 48.925,1099 68.605,1100 1.315,1101 148.471,1102 47.252,1103 5.66,1104 5.378,1105 6.727,1106 5.391,1107 5.349,1108 7.929,1109 1.315,1110 19.375,1111 5.252,1112 12.111,1113 1.532,1114 1.53,1115 1.595,1116 1.531,1117 1.529,1118 2.144,1119 0.041,1120 4.64,1121 1.477,1122 4.233,1123 4.262,1124 4.204,1125 4.158,1126 5.363,1127 4.166,1128 4.076,1129 4.097,1130 4.058,1131 3.925,1132 5.004,1133 3.954,1134 3.707,1135 3.748,1136 3.637,1137 3.631,1138 4.983,1139 3.627,1140 3.509,1141 3.586,1142 3.394,1143 3.329,1144 4.945,1145 3.328,1146 3.423,1147 3.495,1148 3.316,1149 3.203,1150 4.564,1151 3.225,1152 3.186,1153 3.257,1154 3.054,1155 2.984,1156 4.226,1157 2.989,1158 3.079,1159 3.197,1160 2.957,1161 2.866,1162 4.137,1163 2.86,1164 2.984,1165 3.043,1166 2.858,1167 2.754,1168 3.985,1169 2.785,1170 0.151,1171 0.106,1172 0.22,1173 0.135,1174 0.105,1175 4.822,1176 0.154,1177 3.378,1178 0.021,1179 7.048,1180 0.38,1181 4.319,1182 0.102,1183 3.349,1184 4.929,1185 0.657,1186 12.146,1187 3.252,1188 1.992,1189 1.974,1190 2.07,1191 2.058,1192 1.234,1193 2.061,1194 1.901,1195 1.864,1196 2.01,1197 2.034,1198 1.182,1199 2.032,1200 1.816,1201 1.783,1202 1.873,1203 1.99,1204 1.065,1205 1.953,1206 1.518,1207 1.463,1208 1.767,1209 1.75,1210 0.884,1211 1.748,1212 1.438,1213 1.382,1214 1.621,1215 1.639,1216 0.636,1217 1.655,1218 1.08,1219 1.024,1220 1.294,1221 1.387,1222 0.367,1223 1.364,1224 1.03,1225 0.979,1226 1.245,1227 1.356,1228 0.333,1229 1.323,1230 0.958,1231 0.891,1232 1.23,1233 1.218,1234 0.197,1235 1.226,1236 4.174,1238 5.533,1239 3.045,1240 7.094,1241 5.533,1242 8.751,1243 7.751,1244 10.459,1246 2.168,1250 11.635,1252 1.475,1253 3.454,1262 31.531,1263 73.891,1264 182.411,1265 223.672,1266 249.323,1267 255.323,1268 255.323,1269 32.947,1270 8.315,1271 107.92,1272 107.92,1273 28,1274 12.907,1275 4.7,1276 3.755,1277 37.836,1278 113,1279 104,1280 0.166,1281 190.731,1282 303.95,1283 457.143,1284 51877,1286 19.25,1287 0.688,1288 0.551,1289 19.25,1290 15.438,1291 13.652,1292 0.427,1293 0.287,1294 9.068,1295 13.16,1296 8.875,1297 7.345,1298 13.652,1299 9.193,1300 12.497,1301 0.266,1302 0.144,1303 12.497,1304 6.755,1305 11.139,1306 0.164,1307 0.075,1308 11.139,1309 5.127,1310 10.374,1311 0.106,1312 0.04,1313 10.374,1314 3.878,1315 8.315,1316 0.068,1317 0.021,1318 8.315,1319 2.629,1320 0.261,1321 85.207,1322 0.214,1323 26.612,1324 0.451,1325 158,1326 413.628,1327 172.505,1328 409.42,1329 587.14,1330 386,1331 194,1332 464.899,1333 208.811,1334 471.129,1335 700.9,1336 446,1337 4.9}
{0 CHEMBL602104,1 1.675,2 8.696,3 3.619,4 13.095,5 94.605,6 8.714,7 0.808,8 3.751,9 3.857,10 3.504,11 3.392,12 4.952,13 3.36,14 4.204,15 4.331,16 3.942,17 3.785,18 5.403,19 3.734,20 4.368,21 4.513,22 4.025,23 3.917,24 5.471,25 3.829,26 4.429,27 4.573,28 3.955,29 3.873,30 5.618,31 3.756,32 4.393,33 4.583,34 3.707,35 3.723,36 5.456,37 3.607,38 4.255,39 4.461,40 3.498,41 3.596,42 5.216,43 3.49,44 4.156,45 4.339,46 3.398,47 3.528,48 5.224,49 3.448,50 4.18,51 4.421,52 3.249,53 3.414,54 5.211,55 3.315,56 0.055,57 0.566,58 6.223,59 3.09,60 10.035,61 3.384,62 0.205,63 0.887,64 12.084,65 5.669,66 18.942,67 6.521,68 0.115,69 1.051,70 15.912,71 6.984,72 13.592,73 7.539,74 0.333,75 1.101,76 21.484,77 8.279,78 30.715,79 8.614,80 0.327,81 1.051,82 20.887,83 6.926,84 33.716,85 7.025,86 0.149,87 0.846,88 18.261,89 6.96,90 16.651,91 8.383,92 0.151,93 0.796,94 13.34,95 5.345,96 18.34,97 6.24,98 0.132,99 0.818,100 13.396,101 5.304,102 19.805,103 7.099,104 10,105 38,106 0.296,107 0.63,108 0.72,109 0.814,110 0.86,111 0.879,112 3.19,113 0.915,114 -5.35,115 -5.23,116 -4.89,119 45.9,120 1,139 7,140 4,141 1,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 11,169 2,170 5,172 3,173 3,175 1,178 15,180 1,182 3,187 1,189 14,191 1,192 1,193 5,195 3,196 3,197 1,198 2,200 2,201 10,204 2,205 1,207 4,212 2,215 10,218 2,221 5,226 2,229 9,231 2,234 6,239 2,241 7,243 2,246 6,251 5,254 2,256 5,260 4,265 6,270 6,273 641,274 15.585,275 15.585,276 15.585,277 15.585,278 15.585,279 13.019,280 10.973,281 9.022,282 15.928,283 12.844,284 12.844,285 12.844,286 12.844,287 12.844,288 9.032,289 12.36,290 4.281,291 13.45,292 3.535,293 1.644,294 1.133,295 0.602,296 0.345,297 0.237,298 3.887,300 1,301 1,302 1,303 443,304 2.345,306 40.756,307 156.429,310 80.329,311 86.82,314 1.214,315 17.102,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49,327 200,328 4.703,329 4.592,330 6.877,331 4.233,332 3.266,333 4.678,334 2.95,335 11.415,336 3.161,337 4.49,338 3.422,339 6.511,340 4.002,341 3.025,342 4.428,344 10.223,345 2.958,346 3.855,347 2.997,348 5.738,349 3.402,350 2.487,351 3.338,353 7.676,354 2.265,355 3.514,356 2.586,357 5.203,358 3.054,359 2.125,360 2.909,362 6.264,363 1.962,364 3.415,365 2.291,366 5.118,367 2.937,368 1.99,369 2.798,371 5.947,372 1.88,373 3.195,374 2.003,375 4.943,376 2.728,377 1.778,378 2.467,380 5.429,381 1.678,382 3.118,383 1.725,384 4.275,385 2.618,386 1.618,387 2.427,389 3.804,390 1.618,391 2.769,392 1.618,393 4.108,394 2.273,395 1.282,396 1.902,398 3.36,399 1.27,400 2.552,401 1.33,402 3.593,403 2.17,404 1.221,405 1.568,407 2.818,408 1.143,409 2.325,410 1.194,411 3.353,412 1.843,413 0.869,414 1.248,415 2.073,416 0.839,417 1.394,418 0.535,419 2.965,420 0.978,421 0.072,422 0.091,423 0.194,424 0.064,425 1.145,426 0.318,427 2.724,428 0.755,429 -0.18,430 -0.225,431 -0.464,432 -0.168,433 1.004,434 0.014,435 2.522,436 0.559,437 -0.379,438 -0.504,439 -0.994,440 -0.35,441 0.882,442 -0.305,443 2.359,444 0.382,445 -0.59,446 -0.713,448 -1.414,449 -0.539,450 0.727,451 -0.603,452 2.229,453 0.33,454 -0.618,455 -0.927,457 -1.478,458 -0.618,459 11.267,460 0.49,461 0.627,462 0.027,463 34.5,464 1.5,465 19.5,466 0.848,467 15,468 0.652,469 15.863,470 0.69,471 22.933,472 0.62,473 22.831,474 0.993,475 6.711,476 0.292,477 4.42,478 0.192,479 0.115,481 0.399,485 1.04,486 0.931,487 0.716,488 0.731,489 1.297,490 0.707,491 0.506,492 0.74,493 0.66,494 0.848,495 0.431,496 0.763,497 1.004,498 1.039,499 1.032,500 1.01,501 0.861,502 0.906,503 0.976,504 1.16,505 1.514,506 1.458,507 0.645,508 1.223,509 1.801,510 0.915,511 1.47,512 1.124,513 1.633,514 1.082,515 0.878,516 1.007,517 1.007,518 1.122,519 0.589,520 0.997,521 1.184,522 1.097,523 1.048,524 1.047,525 1.081,526 1.101,527 0.758,528 1.163,529 0.695,530 0.888,531 0.872,532 1.06,533 4.5,534 0.049,535 2.667,536 2.479,537 1.325,538 0.702,539 0.392,540 0.339,541 0.209,542 0.125,543 5557,544 15328,545 2.141,546 37.8,547 3,548 7,551 4,555 1.659,556 2,557 3.106,558 1.822,560 1,562 1,564 61.96,565 1.675,566 3.566,567 4.077,568 4.608,569 4.865,570 4.973,571 2.459,572 4.176,573 4.501,574 3.223,575 815.362,576 7.756,577 8997.24,578 1,579 1,580 1,581 1,582 192.75,583 1.422,584 4.454,585 0.173,586 0.008,587 0.07,588 0.064,589 0.039,590 0.027,591 0.016,592 0.014,593 0.01,594 0.009,595 0.43,596 0.17,597 1,598 0.58,599 105.749,600 -0.161,601 0.121,602 0.034,603 0.134,604 -0.347,605 0.108,606 0.417,607 0.266,608 0.227,609 0.108,610 0.314,611 0.127,612 -0.098,613 -0.009,614 0.05,615 0.058,616 -0.089,617 0.02,618 0.249,619 -0.144,620 -0.205,621 -0.256,622 0.319,623 -0.264,624 -0.41,625 0.119,626 -0.284,627 -0.04,628 -0.467,629 -0.136,630 0.036,631 -0.136,632 0.018,633 -0.08,634 0.147,635 0.056,636 -0.204,637 -0.154,638 -0.234,639 -0.162,640 -0.166,641 -0.164,642 -0.021,643 -0.246,644 0.024,645 -0.088,646 0.041,647 -0.068,648 1.55,649 2.365,650 0.826,651 15.006,652 1.006,653 1.113,654 4.12,655 16.975,656 0.728,657 3.296,658 3.664,659 3.989,660 4.317,661 4.522,662 4.605,663 4.71,664 4.852,665 4.934,666 4.905,667 5.235,668 0.692,669 322.42,670 3.296,671 4.86,672 5.74,673 6.648,674 7.542,675 8.454,676 9.353,677 10.267,678 11.169,679 12.084,680 10.8,684 2,690 2,694 4,695 7,696 2,698 1,700 5,702 21,711 2,718 37,719 21,720 2,721 26,723 40,724 17,725 16,726 3,727 7,729 4,730 6,734 1,741 16,742 1,753 1,754 1,756 1,757 14,758 5,759 4,760 6,761 1,764 4,769 0.5,770 1,776 1,780 1,781 3,784 1,785 1,802 2,803 1,804 1,806 1,810 23,811 2,819 1,829 2.7,834 1,836 11.5,837 6.983,838 4.917,839 2.047,840 4.341,841 1.582,842 1.066,843 3.399,844 11.805,845 3.624,846 4.353,847 5.049,848 5.734,849 6.292,850 6.64,851 7.057,852 7.516,853 7.859,854 8.074,855 0.833,856 39,857 8.43,859 3.64,860 7.688,861 16.056,863 13.374,865 2.188,866 50.333,870 117.711,871 132.282,872 99.365,874 9.507,876 32.22,877 100.063,878 127.218,879 99.365,880 8.825,882 132.128,883 37.978,884 25.777,885 4.227,886 149.931,888 117.711,889 199.428,890 9.507,891 32.22,893 117.711,894 9.507,897 18.946,898 146.911,899 33.571,900 32.22,901 117.711,902 108.873,903 132.282,906 117.711,907 57.123,908 75.159,910 108.873,911 117.711,912 108.873,913 132.282,915 0.592,916 0.358,917 0.208,918 0.109,919 21,920 9,921 0.05,922 2,923 2,924 1.211,925 3.486,926 196.255,927 0.211,928 19,929 100.042,930 1,933 14.364,934 5.442,935 2.421,936 3.519,937 108.873,938 14.452,939 8.137,941 5.865,943 3.257,945 65.794,946 358.866,947 36.5,956 37.229,957 41.199,958 0.321,959 0.684,960 0.783,961 0.884,962 0.934,963 0.955,964 4.862,965 1.282,966 5.746,967 3.804,968 4.344,969 5.04,970 2.913,971 6.611,972 4.256,973 6.12,974 1.221,975 7.336,976 3.36,977 4.007,978 5.007,980 7.591,981 3.872,982 7.464,983 0.869,984 9.027,985 2.818,986 5.984,987 7.416,988 5.027,989 10.742,990 5.822,991 8.847,992 0.072,993 10.777,994 2.073,995 6.463,996 8.22,998 12.567,999 6.268,1000 10.263,1001 -0.18,1002 12.565,1003 0.194,1004 7.933,1005 10.105,1006 7.185,1007 15.236,1008 7.715,1009 11.703,1010 -0.379,1011 14.38,1012 -0.464,1013 8.794,1014 11.307,1016 17.409,1017 8.55,1018 13.164,1019 -0.59,1020 16.215,1021 -0.994,1022 10.068,1023 12.978,1024 9.348,1025 19.912,1026 9.8,1027 3.266,1028 -0.618,1029 18.066,1030 -1.414,1031 11.1,1032 14.363,1034 22.227,1035 10.807,1036 3.025,1037 11.415,1038 19.929,1039 -1.478,1040 12.299,1041 15.946,1042 11.511,1043 24.671,1044 11.981,1045 2.487,1046 10.223,1047 21.801,1048 4.678,1049 13.406,1050 17.411,1052 27.045,1053 13.061,1054 2.125,1055 7.676,1056 23.682,1057 4.428,1058 14.58,1059 18.959,1060 13.675,1061 29.47,1062 14.208,1063 1.99,1064 6.264,1065 25.568,1066 3.338,1067 15.719,1068 20.459,1070 31.869,1071 15.319,1072 1.778,1073 5.947,1074 27.46,1075 2.909,1076 16.886,1077 21.993,1078 15.838,1079 34.289,1080 16.456,1081 1.618,1082 5.429,1083 29.356,1084 2.798,1085 18.04,1086 23.509,1088 36.7,1089 17.58,1090 5240,1091 8853,1092 17.512,1093 26.932,1094 39.796,1095 42.411,1096 41.06,1097 39.493,1098 39.467,1099 55.709,1100 5.9,1101 118.406,1102 37.673,1103 5.481,1104 6.592,1105 6.566,1106 5.378,1107 5.266,1108 7.678,1109 5.9,1110 18.607,1111 5.161,1112 10.091,1113 1.531,1114 1.631,1115 1.579,1116 1.519,1117 1.518,1118 2.143,1119 0.227,1120 4.554,1121 1.449,1122 4.116,1123 4.129,1124 4.203,1125 4.072,1126 5.355,1127 4.057,1128 4.03,1129 4.051,1130 4,1131 3.918,1132 4.983,1133 3.938,1134 3.478,1135 3.524,1136 3.609,1137 3.413,1138 4.936,1139 3.387,1140 3.412,1141 3.474,1142 3.324,1143 3.231,1144 4.869,1145 3.237,1146 3.103,1147 3.198,1148 3.132,1149 3.012,1150 4.328,1151 2.975,1152 3.036,1153 3.112,1154 2.958,1155 2.751,1156 4.133,1157 2.786,1158 2.987,1159 3.06,1160 2.759,1161 2.7,1162 3.93,1163 2.703,1164 2.668,1165 2.725,1166 2.711,1167 2.578,1168 3.828,1169 2.561,1170 0.181,1171 0.177,1172 0.265,1173 0.163,1174 0.126,1175 4.703,1176 0.18,1177 4.592,1178 0.113,1179 6.877,1180 0.439,1181 4.233,1182 0.122,1183 3.266,1184 4.678,1185 2.95,1186 11.415,1187 3.161,1188 2.066,1189 2.051,1190 2.137,1191 2.108,1192 1.288,1193 2.124,1194 1.82,1195 1.788,1196 1.882,1197 1.997,1198 1.027,1199 1.958,1200 1.508,1201 1.487,1202 1.655,1203 1.67,1204 0.703,1205 1.676,1206 1.433,1207 1.395,1208 1.623,1209 1.575,1210 0.594,1211 1.603,1212 1.076,1213 1.038,1214 1.266,1215 1.352,1216 0.379,1217 1.342,1218 0.947,1219 0.883,1220 1.241,1221 1.321,1222 0.13,1223 1.283,1224 0.924,1225 0.824,1226 1.097,1227 1.158,1228 0.059,1229 1.185,1230 0.696,1231 0.641,1232 0.948,1233 0.949,1235 0.98,1236 3.97,1238 5.323,1239 2.398,1240 6.878,1241 4.844,1242 8.529,1243 7.034,1244 10.229,1246 1.954,1250 11.597,1255 1.553,1262 25.622,1263 61.96,1264 131.937,1265 150.834,1266 170.485,1267 179.995,1268 183.995,1269 27.137,1270 7.463,1271 90.96,1272 116.26,1273 23,1274 12.598,1275 4.459,1276 3.524,1277 31.793,1278 73,1279 63,1280 0.219,1281 160.224,1282 257.16,1283 382.708,1284 17301,1286 15.974,1287 0.695,1288 0.575,1289 16.328,1290 13.224,1291 11.131,1292 0.428,1293 0.305,1294 7.104,1295 10.387,1296 6.839,1297 5.683,1298 11.539,1299 7.926,1300 10.381,1301 0.273,1302 0.165,1303 11.023,1304 6.256,1305 8.966,1306 0.169,1307 0.092,1308 9.791,1309 4.895,1310 8.209,1311 0.111,1312 0.05,1313 9.118,1314 3.666,1315 6.313,1316 0.069,1317 0.028,1318 7.302,1319 2.557,1320 0.334,1321 73.079,1322 0.239,1323 22.124,1324 0.628,1325 128,1326 352.511,1327 165.434,1328 370.942,1329 525.37,1330 348,1331 155,1332 394.34,1333 188.697,1334 416.719,1335 618.51,1336 393,1337 4.081}
{0 CHEMBL602913,1 1.54,2 9.435,3 3.61,4 13.029,5 98.423,6 7.75,7 0.615,8 3.852,9 3.986,10 3.507,11 3.46,12 4.92,13 3.405,14 4.373,15 4.543,16 3.889,17 3.899,18 5.4,19 3.8,20 4.606,21 4.817,22 3.968,23 4.026,24 5.51,25 3.893,26 4.628,27 4.839,28 3.947,29 4.009,30 5.595,31 3.832,32 4.61,33 4.863,34 3.637,35 3.85,36 5.491,37 3.652,38 4.431,39 4.708,40 3.349,41 3.671,42 5.148,43 3.479,44 4.242,45 4.485,46 3.441,47 3.548,48 5.136,49 3.445,50 4.272,51 4.507,52 3.389,53 3.532,54 5.206,55 3.43,56 0.056,57 0.685,58 9.179,59 3.73,60 9.563,61 4.882,62 0.189,63 1.112,64 18.399,65 7.567,66 20.726,67 9.59,68 0.133,69 1.324,70 24.257,71 9.278,72 17.155,73 12.03,74 0.253,75 1.369,76 28.473,77 10.413,78 29.408,79 12.871,80 0.308,81 1.274,82 31.294,83 9.081,84 35.009,85 11.626,86 0.125,87 0.97,88 24.046,89 8.819,90 16.989,91 11.614,92 0.103,93 0.863,94 15.888,95 5.772,96 15.524,97 8.322,98 0.114,99 0.909,100 17.043,101 5.774,102 16.133,103 8.01,104 5,105 37,106 0.269,107 0.649,108 0.797,109 0.842,110 0.867,111 0.883,112 3.189,113 1.019,114 -5.24,115 -5.12,116 -4.79,119 40.5,121 4,125 1,139 3,140 4,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 10,169 1,170 2,172 3,173 4,175 3,178 14,180 1,182 2,187 1,189 13,191 1,195 1,196 2,197 3,198 2,200 4,201 10,204 1,205 1,207 2,212 2,215 8,218 2,226 2,229 6,234 4,239 6,241 4,243 3,246 6,251 6,254 1,256 3,260 6,265 6,270 5,273 635,274 15.792,275 15.792,276 15.792,277 15.792,278 15.792,279 13.813,280 16.042,281 9.264,282 16.2,283 12.853,284 12.853,285 12.853,286 12.853,287 12.853,288 9.802,289 15.351,290 4.379,291 13.53,292 3.853,293 1.675,294 0.827,295 0.571,296 0.429,297 0.333,298 3.89,300 1,301 1,302 1,303 483,304 2.449,306 43.372,307 159.133,310 82.075,311 89.637,314 1.285,315 14.541,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 48.5,327 217,328 4.638,329 4.466,330 6.781,331 4.154,332 3.19,333 4.608,334 3.272,335 11.108,336 3.079,337 4.373,338 3.336,339 6.505,340 4.004,341 3.027,342 4.024,344 10.194,345 2.959,346 3.711,347 3.074,348 5.323,349 3.271,350 2.348,351 3.155,353 6.732,354 2.161,355 3.412,356 2.666,357 5.187,358 3.041,359 2.11,360 2.79,362 6.216,363 1.952,364 3.38,365 2.294,366 5.063,367 2.899,368 1.98,369 2.628,371 5.79,372 1.818,373 3.045,374 2.065,375 4.76,376 2.664,377 1.717,378 2.219,380 4.97,381 1.618,382 2.947,383 1.826,384 4.165,385 2.618,386 1.618,387 2.114,389 3.795,390 1.616,391 2.434,392 1.646,393 3.601,394 2.271,395 1.275,396 1.429,398 2.849,399 1.269,400 2.314,401 1.413,402 3.588,403 1.946,404 1.017,405 1.242,407 2.345,408 0.928,409 2.102,410 1.235,411 3.411,412 1.763,413 0.831,414 1.06,415 2.074,416 0.772,417 1.709,418 0.855,419 3.094,420 1.392,421 0.505,422 0.589,423 1.218,424 0.438,425 1.129,426 0.398,427 2.684,428 0.736,429 -0.191,430 -0.235,431 -0.499,432 -0.175,433 0.967,434 -0.026,435 2.497,436 0.549,437 -0.379,438 -0.484,439 -0.986,440 -0.346,441 0.759,442 -0.296,443 2.31,444 0.382,445 -0.535,446 -0.637,448 -1.278,449 -0.485,450 0.669,451 -0.476,452 2.11,453 0.381,454 -0.618,455 -0.73,457 -1.478,458 -0.618,459 11.333,460 0.493,461 0.538,462 0.023,463 30.5,464 1.326,465 15.5,466 0.674,467 15,468 0.652,469 18.894,470 0.821,471 24.067,472 0.573,473 18.569,474 0.807,475 5.374,476 0.234,477 5.847,478 0.254,479 0.071,481 0.353,485 1.161,486 1.052,487 0.785,488 0.792,489 1.227,490 0.809,491 0.446,492 0.892,493 0.949,494 1.025,495 0.363,496 0.957,497 0.884,498 1.065,499 0.947,500 0.994,501 0.754,502 0.981,503 0.586,504 1.114,505 1.311,506 1.363,507 0.562,508 1.221,509 1.385,510 1.007,511 1.566,512 1.321,513 1.427,514 1.168,515 0.46,516 0.897,517 0.987,518 1.054,519 0.455,520 0.933,521 0.696,522 1.04,523 0.6,524 0.831,525 0.686,526 0.865,527 1.099,528 1.263,529 0.941,530 1.061,531 0.922,532 1.049,533 4,534 0.087,535 2.667,536 1.91,537 1.165,538 0.406,539 0.34,540 0.254,541 0.219,542 0.128,543 5947,544 14018,545 2.168,546 45.2,547 8,548 5,549 1,551 5,555 1.656,556 2.06,557 3.198,558 2.675,560 1,564 64.67,565 1.54,566 3.718,567 4.565,568 4.821,569 4.964,570 5.059,571 2.616,572 4.176,573 4.502,574 3.326,575 841.543,576 7.739,577 9488.55,578 1,579 1,581 1,582 226.477,583 1.302,584 4.469,585 0.154,586 0.01,587 0.072,588 0.052,589 0.036,590 0.018,591 0.016,592 0.011,593 0.01,594 0.008,595 0.386,596 0.17,597 1,598 0.503,599 107.041,600 -0.185,601 0.106,602 0.047,603 0.153,604 -0.184,605 0.115,606 0.374,607 0.189,608 0.037,609 0.029,610 0.337,611 0.028,612 -0.044,613 -0.051,614 0.061,615 0.047,616 -0.012,617 0.013,618 0.286,619 -0.077,620 -0.069,621 -0.18,622 0.261,623 -0.203,624 -0.278,625 0.02,626 -0.265,627 -0.162,628 -0.305,629 -0.174,630 0.134,631 -0.041,632 0.072,633 0.028,634 0.134,635 0.135,636 0.109,637 -0.117,638 0.167,639 0.04,640 0.116,641 0.115,642 -0.071,643 -0.28,644 -0.094,645 -0.177,646 -0.025,647 -0.105,648 1.465,649 2.022,650 0.826,651 15.505,652 0.995,653 1.127,654 4.005,655 16.042,656 0.691,657 3.296,658 3.638,659 3.951,660 4.263,661 4.431,662 4.466,663 4.543,664 4.654,665 4.727,666 4.718,667 5.58,668 0.642,669 325.48,670 3.296,671 4.844,672 5.714,673 6.608,674 7.489,675 8.387,676 9.272,677 10.171,678 11.058,679 11.957,680 11.9,684 2,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,718 42,719 16,720 1,721 26,723 45,724 17,725 12,726 3,727 3,729 4,730 6,736 4,739 4,741 12,742 5,753 1,754 1,757 19,758 4,759 5,760 6,761 1,764 5,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,803 1,804 1,810 23,811 2,816 5,819 1,836 11.167,837 7.317,838 4.972,839 2.547,840 3.252,841 1.438,842 1.059,843 3.913,844 10.677,845 3.555,846 4.216,847 4.861,848 5.489,849 5.954,850 6.224,851 6.524,852 6.874,853 7.013,854 7.204,855 1,856 37,857 8.481,859 3.651,860 7.551,861 16.633,863 14.216,865 2.051,866 47.167,869 1,870 164.795,871 100.356,872 116.151,876 32.22,877 68.137,878 164.795,879 116.151,881 11.038,882 103.271,883 35.286,884 30.466,885 15.998,886 185.244,888 164.795,889 184.288,891 32.22,893 164.795,897 31.438,898 119.279,899 33.571,900 32.22,901 164.795,902 116.151,903 100.356,906 164.795,907 62.88,908 37.476,909 16.786,910 99.365,911 164.795,912 116.151,913 100.356,915 0.585,916 0.351,917 0.205,918 0.104,919 20,920 8,921 0.067,922 3,923 2,924 1.211,925 3.576,926 190.998,927 0.211,928 19,929 104.042,930 1,933 14.851,934 6.06,935 2.792,936 1.595,937 99.365,938 8.609,939 8.279,940 3.144,943 6.183,945 82.58,946 381.303,947 34,956 41.771,957 47.318,958 0.286,959 0.689,960 0.847,961 0.894,962 0.921,963 0.938,964 4.796,965 1.275,966 5.7,967 3.795,968 4.317,969 4.902,970 3.11,971 6.538,972 4.222,973 6.016,974 1.017,975 7.27,976 2.849,977 3.892,978 4.808,980 7.489,981 3.768,982 7.341,983 0.831,984 8.943,985 2.345,986 5.927,987 7.196,988 5.44,989 10.625,990 5.758,991 8.707,992 0.505,993 10.679,994 2.074,995 6.347,996 7.967,998 12.447,999 6.16,1000 10.109,1001 -0.191,1002 12.456,1003 1.218,1004 7.843,1005 9.824,1006 7.807,1007 15.09,1008 7.62,1009 11.536,1010 -0.379,1011 14.262,1012 -0.499,1013 8.663,1014 10.995,1016 17.257,1017 8.421,1018 12.983,1019 -0.535,1020 16.089,1021 -0.986,1022 9.942,1023 12.643,1024 10.177,1025 19.734,1026 9.67,1027 3.19,1028 -0.618,1029 17.933,1030 -1.278,1031 10.944,1032 14,1034 22.036,1035 10.65,1036 3.027,1037 11.108,1038 19.79,1039 -1.478,1040 12.138,1041 15.564,1042 12.548,1043 24.454,1044 11.814,1045 2.348,1046 10.194,1047 21.656,1048 4.608,1049 13.221,1050 17.006,1052 26.808,1053 12.87,1054 2.11,1055 6.732,1056 23.529,1057 4.024,1058 14.382,1059 18.538,1060 14.919,1061 29.207,1062 14.001,1063 1.98,1064 6.216,1065 25.409,1066 3.155,1067 15.499,1068 20.019,1070 31.581,1071 15.088,1072 1.717,1073 5.79,1074 27.293,1075 2.79,1076 16.648,1077 21.539,1078 17.29,1079 33.974,1080 16.207,1081 1.618,1082 4.97,1083 29.181,1084 2.628,1085 17.781,1086 23.04,1088 36.358,1089 17.307,1090 5557,1091 8686,1092 17.8,1093 29.006,1094 39.361,1095 42.476,1096 40.339,1097 39.232,1098 39.233,1099 51.718,1100 6.545,1101 114.581,1102 37.218,1103 5.584,1104 6.466,1105 6.47,1106 5.28,1107 5.19,1108 7.608,1109 6.545,1110 17.999,1111 5.079,1112 8.473,1113 1.514,1114 1.634,1115 1.551,1116 1.509,1117 1.509,1118 1.989,1119 0.252,1120 4.407,1121 1.431,1122 4.11,1123 4.154,1124 4.138,1125 4.012,1126 5.321,1127 4.008,1128 3.988,1129 4.018,1130 3.987,1131 3.92,1132 4.981,1133 3.921,1134 3.524,1135 3.58,1136 3.603,1137 3.437,1138 4.773,1139 3.4,1140 3.434,1141 3.514,1142 3.342,1143 3.253,1144 4.702,1145 3.247,1146 3.175,1147 3.25,1148 3.248,1149 3.056,1150 4.108,1151 3.026,1152 3.099,1153 3.204,1154 2.976,1155 2.868,1156 4.062,1157 2.855,1158 3,1159 3.097,1160 2.853,1161 2.746,1162 3.836,1163 2.756,1164 2.77,1165 2.843,1166 2.604,1167 2.651,1168 3.661,1169 2.631,1170 0.178,1171 0.172,1172 0.261,1173 0.16,1174 0.123,1175 4.638,1176 0.177,1177 4.466,1178 0.126,1179 6.781,1180 0.427,1181 4.154,1182 0.118,1183 3.19,1184 4.608,1185 3.272,1186 11.108,1187 3.079,1188 1.995,1189 1.971,1190 2.119,1191 2.066,1192 1.439,1193 2.091,1194 1.825,1195 1.79,1196 1.864,1197 2.007,1198 1.089,1199 1.968,1200 1.571,1201 1.518,1202 1.756,1203 1.745,1204 0.933,1205 1.754,1206 1.51,1207 1.452,1208 1.675,1209 1.667,1210 0.769,1211 1.693,1212 1.168,1213 1.107,1214 1.464,1215 1.402,1216 0.723,1217 1.408,1218 1.063,1219 0.97,1220 1.302,1221 1.349,1222 0.363,1223 1.374,1224 0.944,1225 0.842,1226 1.25,1227 1.31,1228 0.324,1229 1.321,1230 0.802,1231 0.735,1232 1.122,1233 0.99,1234 0.069,1235 1.039,1236 3.97,1238 5.303,1239 2.398,1240 6.841,1241 4.727,1242 8.477,1243 6.843,1244 10.163,1250 11.67,1252 5.829,1255 1.858,1262 26.982,1263 64.67,1264 156.139,1265 191.722,1266 202.477,1267 208.477,1268 212.477,1269 27.238,1270 7.425,1271 93.61,1272 118.91,1273 23,1274 12.482,1275 4.087,1276 3.17,1277 31.922,1278 79,1279 68,1280 0.203,1281 168.877,1282 275.55,1283 403.821,1284 17517,1286 15.811,1287 0.687,1288 0.592,1289 16.165,1290 13.619,1291 11.22,1292 0.432,1293 0.34,1294 7.866,1295 10.489,1296 7.61,1297 6.281,1298 11.674,1299 8.832,1300 10.205,1301 0.276,1302 0.187,1303 10.756,1304 6.911,1305 8.765,1306 0.172,1307 0.109,1308 9.472,1309 5.543,1310 8.002,1311 0.114,1312 0.063,1313 8.791,1314 4.416,1315 6.113,1316 0.074,1317 0.039,1318 6.955,1319 3.243,1320 0.315,1321 73.711,1322 0.237,1323 22.407,1324 0.562,1325 126,1326 299.108,1327 156.442,1328 322.783,1329 456.24,1330 304,1331 151,1332 337.353,1333 178.704,1334 357.674,1335 528.39,1336 338,1337 5.522}
{0 CHEMBL603198,1 1.562,2 8.708,3 2.984,4 8.903,5 93.874,6 7.373,7 0.593,8 3.906,9 4.028,10 3.468,11 3.421,12 5.021,13 3.415,14 4.407,15 4.573,16 3.783,17 3.789,18 5.473,19 3.748,20 4.582,21 4.778,22 3.86,23 3.918,24 5.541,25 3.865,26 4.723,27 4.911,28 3.912,29 4.016,30 5.755,31 3.938,32 4.859,33 5.085,34 3.793,35 4.055,36 5.757,37 3.947,38 4.844,39 5.092,40 3.739,41 4.002,42 5.676,43 3.876,44 4.745,45 5.005,46 3.645,47 3.793,48 5.664,49 3.686,50 4.504,51 4.783,52 3.392,53 3.494,54 5.539,55 3.399,56 0.048,57 0.666,58 9.367,59 3.877,60 11.268,61 5.091,62 0.27,63 1.012,64 17.054,65 6.901,66 27.506,67 9.03,68 0.147,69 1.188,70 20.657,71 7.824,72 19.948,73 10.884,74 0.369,75 1.316,76 24.097,77 9.432,78 41.623,79 12.762,80 0.397,81 1.423,82 29.244,83 10.176,84 46.518,85 14.085,86 0.273,87 1.36,88 29.22,89 10.756,90 35.937,91 15.226,92 0.41,93 1.212,94 27.415,95 8.596,96 39.986,97 12.673,98 0.446,99 0.967,100 21.941,101 5.691,102 47.925,103 8.999,104 11,105 39,106 0.27,107 0.655,108 0.808,109 0.855,110 0.863,111 0.863,112 3.23,113 0.899,114 -4.7,115 -4.62,116 -4.34,119 40.9,121 3,122 2,124 1,139 4,140 3,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 12,169 2,170 6,172 3,173 3,175 1,178 12,180 1,182 6,187 1,189 13,191 1,192 1,193 6,195 3,196 3,197 1,198 2,200 2,201 12,204 2,205 1,207 7,212 2,215 11,218 2,221 8,226 3,229 5,231 3,233 1,234 8,239 4,241 1,243 4,245 2,246 5,248 1,249 1,251 4,256 4,260 2,265 4,270 4,273 750,274 16.455,275 16.455,276 16.455,277 16.455,278 16.455,279 14.502,280 16.074,281 9.519,282 16.805,283 13.275,284 13.275,285 13.275,286 13.275,287 13.275,288 10.31,289 16.969,290 4.415,291 13.753,292 3.898,293 1.674,294 0.79,295 0.517,296 0.472,297 0.472,298 3.914,300 1,301 1,302 1,303 458,304 3,305 41.504,306 50.019,307 139.596,310 94.163,314 1.174,315 20.432,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52,327 209,328 4.644,329 3.402,330 6.809,331 4.215,332 3.23,333 4.609,334 0.86,335 11.237,336 3.188,337 4.339,338 3.217,339 6.675,340 4.076,341 3.094,342 3.876,344 10.762,345 3.04,346 3.773,347 2.75,348 5.817,349 3.56,350 2.583,351 3.162,353 7.959,354 2.52,355 3.666,356 2.464,357 5.308,358 3.258,359 2.322,360 2.837,362 6.703,363 2.172,364 3.406,365 2.081,366 5.063,367 2.925,368 1.981,369 2.776,371 5.792,372 1.869,373 3.078,374 2.061,375 4.84,376 2.804,377 1.839,378 2.228,380 5.265,381 1.767,382 2.917,383 1.864,384 4.648,385 2.547,386 1.585,387 2.09,389 4.55,390 1.523,391 2.901,392 1.563,393 3.882,394 2.455,395 1.475,396 2.024,398 3.154,399 1.436,400 2.325,401 0.958,402 3.592,403 1.94,404 0.944,405 1.26,407 2.44,408 0.94,409 2.158,410 0.927,411 3.579,412 1.78,413 0.8,414 1.071,415 2.052,416 0.783,417 1.621,418 0.829,419 2.89,420 1.343,421 0.463,422 0.522,423 0.718,424 0.403,425 1.164,426 0.155,427 2.727,428 0.872,429 -0.089,430 -0.102,431 -0.236,432 -0.085,433 0.961,434 -0.199,435 2.666,436 0.572,437 -0.372,438 -0.466,439 -1.009,440 -0.35,441 0.739,442 -0.277,443 2.354,444 0.461,445 -0.5,446 -0.574,448 -1.049,449 -0.477,450 0.631,451 -0.393,452 2.242,453 0.353,454 -0.575,455 -0.68,457 -1.353,458 -0.532,459 11.267,460 0.469,461 0.589,462 0.025,463 31.5,464 1.313,465 15.5,466 0.646,467 16,468 0.667,469 19.264,470 0.803,471 25.933,472 0.589,473 21.448,474 0.894,475 5.927,476 0.247,477 5.742,478 0.239,479 0.115,481 0.399,485 0.985,486 1.184,487 0.811,488 1.031,489 1.115,490 0.904,491 0.874,492 0.892,493 0.846,494 0.989,495 0.568,496 0.943,497 0.849,498 1.119,499 0.843,500 1.042,501 0.761,502 0.954,503 0.835,504 1.098,505 1.018,506 1.201,507 0.665,508 1.167,509 1.254,510 0.933,511 1.199,512 1.045,513 1.229,514 1.106,515 0.851,516 1.024,517 0.96,518 1.104,519 0.768,520 1.068,521 1,522 1.103,523 0.931,524 1.003,525 0.921,526 0.968,527 1.048,528 0.891,529 1.004,530 0.81,531 1.191,532 0.865,533 4.5,534 0.054,535 2.5,536 2.097,537 1.262,538 0.792,539 0.529,540 0.379,541 0.234,542 0.148,543 6019,544 15330,545 2.135,546 45.5,547 8,548 7,549 1,551 4,555 1.675,556 2,557 3.093,558 1.777,559 1,560 1,562 1,564 68.718,565 1.562,566 3.785,567 4.67,568 4.942,569 4.988,570 4.988,571 2.47,572 4.137,573 4.561,574 3.223,575 889.658,576 7.899,577 10166.6,579 1,581 1,582 240.215,583 1.406,584 4.518,585 0.167,586 0.011,587 0.069,588 0.054,589 0.032,590 0.023,591 0.017,592 0.014,593 0.011,594 0.011,595 0.409,597 1,598 0.757,599 111.793,600 -0.102,601 0.018,602 0.043,603 0.035,604 -0.135,605 0.067,606 0.146,607 0.185,608 0.07,609 0.058,610 0.26,611 0.04,612 -0.034,613 -0.067,614 0.072,615 -0.01,616 0.007,617 0.043,618 0.144,619 -0.078,620 -0.09,621 -0.163,622 0.201,623 -0.175,624 -0.219,625 0.041,626 -0.232,627 -0.048,628 -0.287,629 -0.125,630 -0.018,631 -0.117,632 0.005,633 -0.081,634 -0.035,635 -0.043,636 0.056,637 -0.2,638 0.085,639 -0.045,640 0.035,641 0.012,642 0.063,643 0.082,644 0.039,645 0.064,646 0.037,647 0.057,648 1.538,649 2.062,650 0.75,651 16.583,652 1.003,653 1.13,654 3.471,655 12.047,656 0.66,657 3.332,658 3.689,659 3.97,660 4.29,661 4.466,662 4.564,663 4.635,664 4.71,665 4.71,666 4.663,667 5.268,668 0.63,669 324.42,670 3.332,671 4.89,672 5.771,673 6.678,674 7.575,675 8.488,676 9.39,677 10.305,678 11.21,679 12.125,680 9.1,684 2,690 2,694 2,695 5,696 2,698 1,700 5,702 16,711 2,716 1,718 44,719 16,720 1,721 27,723 47,724 18,725 12,726 2,727 4,729 4,730 5,736 2,737 1,739 3,741 12,742 6,743 2,753 1,754 1,756 1,757 20,758 6,759 4,760 6,764 4,769 0.75,770 2,776 1,779 1,780 1,781 2,784 1,802 3,806 1,810 24,811 2,816 3,818 1,820 2,829 4.5,834 2,836 12,837 7.983,838 5.25,839 2.575,840 2.988,841 1.422,842 1.01,843 3.905,844 10.072,845 3.584,846 4.23,847 4.845,848 5.475,849 5.948,850 6.24,851 6.568,852 6.925,853 7.055,854 7.242,855 0.833,856 39,857 8.841,859 3.82,860 7.66,861 17.07,863 14.532,865 2.16,866 51.833,869 1,870 188.338,871 90.953,872 99.365,874 20.507,877 90.953,878 208.845,879 99.365,880 10.883,881 7.604,882 115.439,883 37.978,884 34.695,885 15.998,886 176.567,888 188.338,889 190.319,890 20.507,893 188.338,894 20.507,897 13.91,898 142.837,899 33.571,901 188.338,902 119.873,903 90.953,906 188.338,907 30.426,908 60.528,910 119.873,911 188.338,912 119.873,913 90.953,915 0.585,916 0.34,917 0.2,918 0.102,919 21,920 9,921 0.106,922 5,923 1,924 1.111,925 3.581,926 206.665,927 0.111,928 18,929 108.039,933 15.425,934 6.076,935 3.005,936 1.217,937 119.873,938 9.922,939 8.195,941 5.562,943 3.674,945 65.794,946 399.163,947 35,956 44.131,957 49.734,958 0.286,959 0.693,960 0.855,961 0.905,962 0.914,963 0.914,964 4.836,965 1.475,966 5.771,967 4.55,968 4.369,969 4.916,970 0.908,971 6.637,972 4.309,973 6.068,974 0.944,975 7.365,976 3.154,977 4.111,978 4.844,980 7.689,981 4.033,982 7.399,983 0.8,984 9.06,985 2.44,986 6.028,987 7.186,988 0.739,989 10.794,990 5.929,991 8.765,992 0.463,993 10.814,994 2.052,995 6.553,996 7.94,998 12.654,999 6.444,1000 10.163,1001 -0.089,1002 12.607,1003 0.718,1004 7.989,1005 9.789,1006 0.593,1007 15.304,1008 7.865,1009 11.584,1010 -0.372,1011 14.426,1012 -0.236,1013 8.864,1014 10.943,1016 17.489,1017 8.732,1018 13.025,1019 -0.5,1020 16.264,1021 -1.009,1022 10.119,1023 12.592,1024 0.469,1025 19.982,1026 9.975,1027 3.23,1028 -0.575,1029 18.117,1030 -1.049,1031 11.151,1032 13.94,1034 22.297,1035 10.997,1036 3.094,1037 11.237,1038 19.982,1039 -1.353,1040 12.338,1041 15.507,1042 0.366,1043 24.733,1044 12.172,1045 2.583,1046 10.762,1047 21.855,1048 4.609,1049 13.438,1050 16.947,1052 27.101,1053 13.262,1054 2.322,1055 7.959,1056 23.736,1057 3.876,1058 14.602,1059 18.482,1060 0.283,1061 29.516,1062 14.413,1063 1.981,1064 6.703,1065 25.622,1066 3.162,1067 15.733,1068 19.964,1070 31.905,1071 15.532,1072 1.839,1073 5.792,1074 27.512,1075 2.837,1076 16.889,1077 21.489,1078 0.217,1079 34.314,1080 16.676,1081 1.585,1082 5.265,1083 29.406,1084 2.776,1085 18.034,1086 22.992,1088 36.712,1089 17.808,1090 5737,1091 9284,1092 18.205,1093 29.023,1094 41.139,1095 41.097,1096 42.654,1097 40.62,1098 40.632,1099 52.909,1100 1.72,1101 121.27,1102 39.278,1103 5.597,1104 5.402,1105 6.501,1106 5.287,1107 5.23,1108 7.609,1109 1.72,1110 18.427,1111 5.188,1112 10.642,1113 1.524,1114 1.522,1115 1.58,1116 1.504,1117 1.505,1118 1.96,1119 0.064,1120 4.491,1121 1.455,1122 4.113,1123 4.136,1124 4.082,1125 4.002,1126 5.362,1127 4.012,1128 3.968,1129 3.998,1130 3.906,1131 3.857,1132 4.984,1133 3.871,1134 3.787,1135 3.827,1136 3.678,1137 3.698,1138 4.946,1139 3.688,1140 3.429,1141 3.498,1142 3.354,1143 3.222,1144 4.857,1145 3.241,1146 3.249,1147 3.315,1148 3.064,1149 2.975,1150 4.394,1151 2.985,1152 3.139,1153 3.2,1154 3.014,1155 2.928,1156 4.265,1157 2.939,1158 3.072,1159 3.191,1160 2.932,1161 2.728,1162 4.137,1163 2.776,1164 2.794,1165 2.868,1166 2.617,1167 2.652,1168 3.826,1169 2.632,1170 0.172,1171 0.126,1172 0.252,1173 0.156,1174 0.12,1175 4.644,1176 0.171,1177 3.402,1178 0.032,1179 6.809,1180 0.416,1181 4.215,1182 0.118,1183 3.23,1184 4.609,1185 0.86,1186 11.237,1187 3.188,1188 1.939,1189 1.917,1190 2.047,1191 2.032,1192 1.351,1193 2.034,1194 1.807,1195 1.777,1196 1.871,1197 1.976,1198 1.009,1199 1.942,1200 1.542,1201 1.503,1202 1.698,1203 1.729,1204 0.858,1205 1.727,1206 1.252,1207 1.219,1208 1.573,1209 1.514,1210 0.825,1211 1.533,1212 1.197,1213 1.123,1214 1.513,1215 1.467,1216 0.574,1217 1.458,1218 1.153,1219 1.064,1220 1.44,1221 1.376,1222 0.573,1223 1.429,1224 0.958,1225 0.884,1226 1.249,1227 1.356,1228 0.273,1229 1.33,1230 0.88,1231 0.776,1232 1.173,1233 1.231,1234 0.167,1235 1.228,1236 4.007,1237 1.946,1238 5.352,1239 3.932,1240 6.899,1241 5.861,1242 8.54,1243 7.761,1244 10.23,1246 1.713,1250 11.692,1252 3.282,1254 5.561,1256 1.015,1262 27.73,1263 68.718,1264 166.552,1265 205.46,1266 217.46,1267 219.46,1268 219.46,1269 33.401,1270 7.084,1271 100.19,1272 100.19,1273 20,1274 12.638,1275 4.087,1276 3.17,1277 33.632,1278 76,1279 74,1280 0.221,1281 168.537,1282 280.92,1283 402.99,1284 9930,1286 16.681,1287 0.695,1288 0.564,1289 16.681,1290 13.528,1291 11.669,1292 0.432,1293 0.3,1294 7.969,1295 11.193,1296 7.791,1297 6.444,1298 11.669,1299 8.09,1300 10.582,1301 0.271,1302 0.161,1303 10.582,1304 6.298,1305 8.689,1306 0.167,1307 0.085,1308 8.689,1309 4.436,1310 7.883,1311 0.109,1312 0.046,1313 7.883,1314 3.34,1315 5.916,1316 0.069,1317 0.026,1318 5.916,1319 2.212,1320 0.335,1321 73.432,1322 0.234,1323 22.872,1324 0.643,1325 132,1326 361.386,1327 144.915,1328 348.771,1329 487.61,1330 328,1331 160,1332 372.233,1333 172.639,1334 377.328,1335 555.11,1336 354,1337 4.996}
{0 CHEMBL603849,1 1.537,2 8.76,3 3.562,4 12.685,5 101.127,6 7.201,7 0.593,8 3.943,9 4.07,10 3.473,11 3.446,12 5.092,13 3.432,14 4.439,15 4.616,16 3.822,17 3.821,18 5.53,19 3.783,20 4.611,21 4.805,22 3.903,23 3.964,24 5.629,25 3.911,26 4.743,27 4.934,28 3.949,29 4.057,30 5.829,31 3.977,32 4.88,33 5.104,34 3.855,35 4.118,36 5.813,37 4.008,38 4.92,39 5.148,40 3.873,41 4.131,42 5.816,43 4.01,44 4.95,45 5.195,46 3.817,47 4.028,48 5.897,49 3.91,50 4.825,51 5.113,52 3.56,53 3.772,54 5.812,55 3.642,56 0.038,57 0.687,58 10.145,59 4.099,60 12.203,61 5.504,62 0.273,63 1.04,64 18.203,65 7.185,66 28.974,67 9.56,68 0.125,69 1.233,70 21.527,71 8.153,72 19.853,73 11.43,74 0.321,75 1.36,76 24.825,77 9.809,78 41.882,79 13.506,80 0.307,81 1.476,82 29.662,83 10.891,84 41.862,85 15.216,86 0.219,87 1.493,88 30.892,89 12.004,90 36.587,91 16.692,92 0.447,93 1.48,94 33.239,95 10.95,96 49.037,97 15.765,98 0.542,99 1.294,100 30.524,101 8.159,102 62.063,103 12.923,104 31,105 38,106 0.262,107 0.648,108 0.802,109 0.867,110 0.875,111 0.875,112 3.268,113 0.911,114 -4.86,115 -4.76,116 -4.47,119 40.4,120 2,121 1,122 1,124 1,134 1,135 1,139 4,140 3,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 12,169 2,170 6,172 3,173 3,175 1,178 14,180 1,182 6,187 1,189 15,191 1,192 1,193 6,195 3,196 3,197 1,198 2,200 2,201 14,204 2,205 1,207 7,212 2,215 13,218 2,221 9,226 3,229 8,231 3,233 1,234 9,239 4,241 2,243 4,245 2,246 7,248 1,249 1,251 5,256 5,260 2,265 4,270 4,273 881,274 16.878,275 16.878,276 16.878,277 16.878,278 16.878,279 14.78,280 15.489,281 9.789,282 17.228,283 13.175,284 13.175,285 13.175,286 13.175,287 13.175,288 9.933,289 16.4,290 4.432,291 13.653,292 4.017,293 1.756,294 0.857,295 0.474,296 0.431,297 0.431,298 3.944,300 1,301 1,302 1,303 459,304 3.536,306 53.89,307 149.948,310 101.139,314 1.168,315 20.673,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54,327 219,328 4.658,329 3.311,330 6.802,331 4.2,332 3.217,333 4.623,334 0.86,335 11.201,336 3.165,337 4.396,338 3.176,339 6.639,340 4.036,341 3.054,342 3.99,344 10.604,345 3,346 3.794,347 2.735,348 5.67,349 3.414,350 2.447,351 3.233,353 7.408,354 2.366,355 3.609,356 2.385,357 5.283,358 3.224,359 2.285,360 2.931,362 6.574,363 2.14,364 3.403,365 2.065,366 5.063,367 2.923,368 1.98,369 2.773,371 5.79,372 1.866,373 3.035,374 1.836,375 4.764,376 2.698,377 1.729,378 2.185,380 4.966,381 1.669,382 2.917,383 1.746,384 4.47,385 2.5,386 1.545,387 2.086,389 4.094,390 1.473,391 2.81,392 1.459,393 3.743,394 2.443,395 1.45,396 1.893,398 3.077,399 1.433,400 2.402,401 0.945,402 3.59,403 1.892,404 0.9,405 1.298,407 2.209,408 0.892,409 2.224,410 0.905,411 3.548,412 1.761,413 0.779,414 1.076,415 1.965,416 0.763,417 1.655,418 0.813,419 2.845,420 1.347,421 0.463,422 0.53,423 0.714,424 0.405,425 1.266,426 0.218,427 2.691,428 1.163,429 0.17,430 0.182,431 0.246,432 0.169,433 1.111,434 -0.057,435 2.638,436 0.757,437 -0.187,438 -0.226,439 -0.455,440 -0.176,441 0.921,442 -0.254,443 2.289,444 0.527,445 -0.411,446 -0.533,448 -1.03,449 -0.382,450 0.774,451 -0.325,452 2.238,453 0.358,454 -0.572,455 -0.702,457 -1.284,458 -0.529,459 11.767,460 0.471,461 0.627,462 0.025,463 33,464 1.32,465 17,466 0.68,467 16,468 0.64,469 20.892,470 0.836,471 27.233,472 0.579,473 24.476,474 0.979,475 6.412,476 0.256,477 5.633,478 0.225,479 0.195,481 0.382,485 1,486 1.225,487 0.851,488 1.077,489 1.204,490 0.951,491 0.877,492 0.809,493 0.755,494 0.869,495 0.587,496 0.822,497 0.866,498 1.12,499 0.838,500 1.03,501 0.759,502 0.941,503 0.7,504 1.101,505 0.953,506 1.185,507 0.582,508 1.133,509 1.085,510 0.965,511 1.115,512 1.069,513 1.076,514 1.097,515 0.893,516 1.11,517 1.003,518 1.202,519 0.74,520 1.148,521 1.156,522 1.147,523 1.056,524 1.109,525 0.941,526 1.087,527 1.108,528 0.962,529 1.062,530 0.891,531 1.159,532 0.945,533 5,534 0.054,535 3.111,536 2.347,537 1.547,538 0.997,539 0.757,540 0.481,541 0.278,542 0.159,543 6074,544 15964,545 2.015,546 46.8,547 9,548 8,549 1,551 4,555 1.688,556 1.852,557 3.092,558 1.736,560 1,564 72.248,565 1.537,566 3.799,567 4.698,568 5.081,569 5.123,570 5.123,571 2.469,572 4.564,573 4.619,574 3.229,575 968.707,576 8.028,577 11463.4,579 1,581 1,582 261.066,583 1.516,584 4.555,585 0.185,586 0.009,587 0.082,588 0.057,589 0.038,590 0.027,591 0.02,592 0.015,593 0.012,594 0.011,595 0.456,597 1,598 1.127,599 118.016,600 -0.093,601 -0.012,602 0.032,603 0.003,604 -0.214,605 0.04,606 0.174,607 0.271,608 0.185,609 0.182,610 0.258,611 0.173,612 -0.034,613 -0.044,614 0.084,615 0.013,616 0.021,617 0.063,618 0.197,619 -0.057,620 -0.027,621 -0.133,622 0.264,623 -0.126,624 -0.154,625 0.024,626 -0.165,627 -0.045,628 -0.204,629 -0.096,630 -0.027,631 -0.173,632 -0.057,633 -0.152,634 -0.03,635 -0.119,636 -0.011,637 -0.231,638 -0.055,639 -0.131,640 -0.013,641 -0.109,642 0.012,643 -0.02,644 -0.024,645 -0.01,646 -0.003,647 -0.019,648 1.568,649 2.037,650 0.6,651 17.75,652 1,653 1.131,654 3.626,655 13.146,656 0.655,657 3.332,658 3.664,659 3.97,660 4.263,661 4.431,662 4.511,663 4.575,664 4.644,665 4.644,666 4.595,667 5.351,668 0.622,669 338.45,670 3.332,671 4.875,672 5.74,673 6.635,674 7.519,675 8.421,676 9.312,677 10.217,678 11.111,679 12.017,680 8.5,684 2,690 2,694 2,695 5,696 2,698 1,700 5,702 16,711 2,716 1,718 47,719 17,720 1,721 27,723 49,724 19,725 12,726 2,727 4,728 2,729 3,730 4,734 2,739 1,741 14,742 5,743 1,744 1,749 1,751 1,753 1,754 1,756 1,757 22,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,795 1,796 1,802 2,806 3,810 25,811 2,816 1,818 1,820 1,829 4.3,834 2,836 13.5,837 9.233,838 5.667,839 2.818,840 3.657,841 1.52,842 0.976,843 5.067,844 10.696,845 3.611,846 4.259,847 4.921,848 5.566,849 6.084,850 6.452,851 6.872,852 7.299,853 7.571,854 7.891,855 0.833,856 41,857 9.171,859 3.796,860 7.707,861 17.467,863 13.954,865 2.207,866 55.167,869 1,870 211.88,871 116.196,872 99.365,874 20.507,877 116.196,878 232.387,879 99.365,880 28.533,881 2.535,882 124.915,883 37.978,884 37.88,885 15.998,886 200.109,888 211.88,889 215.562,890 20.507,893 211.88,894 20.507,897 26.491,898 146.023,899 43.047,901 211.88,902 119.873,903 116.196,906 211.88,907 28.542,908 87.654,910 119.873,911 211.88,912 119.873,913 116.196,915 0.577,916 0.357,917 0.203,918 0.107,919 18,920 9,921 0.102,922 5,923 1,924 1.133,925 3.506,926 211.392,927 0.133,928 15,929 116.096,933 17.459,934 7.255,935 3.386,936 1.06,937 119.873,938 9.596,939 8.146,941 5.53,943 3.112,945 65.794,946 447.949,947 36,952 2.063,954 1.138,956 47.014,957 53.149,958 0.277,959 0.684,960 0.846,961 0.915,962 0.922,963 0.922,964 4.844,965 1.45,966 5.74,967 4.094,968 4.344,969 4.945,970 0.908,971 6.594,972 4.282,973 6.078,974 0.9,975 7.328,976 3.077,977 4.007,978 4.844,980 7.603,981 3.921,982 7.407,983 0.779,984 9.019,985 2.209,986 5.974,987 7.239,988 0.739,989 10.733,990 5.869,991 8.777,992 0.463,993 10.77,994 1.965,995 6.463,996 7.99,998 12.579,999 6.344,1000 10.181,1001 0.17,1002 12.559,1003 0.714,1004 7.912,1005 9.857,1006 0.593,1007 15.232,1008 7.778,1009 11.61,1010 -0.187,1011 14.376,1012 0.246,1013 8.773,1014 11.013,1016 17.412,1017 8.627,1018 13.058,1019 -0.411,1020 16.213,1021 -0.455,1022 10.029,1023 12.668,1024 0.469,1025 19.903,1026 9.87,1027 3.217,1028 -0.572,1029 18.064,1030 -1.03,1031 11.054,1032 14.017,1034 22.215,1035 10.884,1036 3.054,1037 11.201,1038 19.927,1039 -1.284,1040 12.239,1041 15.586,1042 0.366,1043 24.647,1044 12.055,1045 2.447,1046 10.604,1047 21.8,1048 4.623,1049 13.336,1050 17.026,1052 27.011,1053 13.138,1054 2.285,1055 7.408,1056 23.679,1057 3.99,1058 14.496,1059 18.561,1060 0.283,1061 29.422,1062 14.284,1063 1.98,1064 6.574,1065 25.564,1066 3.233,1067 15.624,1068 20.044,1070 31.807,1071 15.397,1072 1.729,1073 5.79,1074 27.454,1075 2.931,1076 16.777,1077 21.569,1078 0.217,1079 34.21,1080 16.536,1081 1.545,1082 4.966,1083 29.347,1084 2.773,1085 17.918,1086 23.072,1088 36.604,1089 17.662,1090 6060,1091 9992,1092 17.512,1093 30.784,1094 40.472,1095 40.344,1096 42.908,1097 40.09,1098 40.037,1099 53.598,1100 1.72,1101 117.695,1102 38.681,1103 5.464,1104 5.311,1105 6.494,1106 5.271,1107 5.217,1108 7.623,1109 1.72,1110 18.269,1111 5.165,1112 13.981,1113 1.499,1114 1.494,1115 1.589,1116 1.485,1117 1.483,1118 1.985,1119 0.064,1120 4.359,1121 1.433,1122 4.104,1123 4.122,1124 4.083,1125 3.99,1126 5.365,1127 4.006,1128 3.926,1129 3.95,1130 3.876,1131 3.83,1132 4.987,1133 3.842,1134 3.672,1135 3.729,1136 3.542,1137 3.561,1138 4.953,1139 3.548,1140 3.413,1141 3.479,1142 3.331,1143 3.21,1144 4.864,1145 3.225,1146 3.249,1147 3.315,1148 3.064,1149 2.997,1150 4.407,1151 3.001,1152 3.197,1153 3.281,1154 3.033,1155 2.964,1156 4.294,1157 2.971,1158 3.081,1159 3.197,1160 2.947,1161 2.818,1162 4.136,1163 2.8,1164 3.006,1165 3.089,1166 2.757,1167 2.727,1168 3.967,1169 2.771,1170 0.173,1171 0.123,1172 0.252,1173 0.156,1174 0.119,1175 4.658,1176 0.171,1177 3.311,1178 0.032,1179 6.802,1180 0.415,1181 4.2,1182 0.117,1183 3.217,1184 4.623,1185 0.86,1186 11.201,1187 3.165,1188 1.961,1189 1.94,1190 2.071,1191 2.045,1192 1.319,1193 2.051,1194 1.801,1195 1.771,1196 1.92,1197 1.976,1198 1.054,1199 1.938,1200 1.688,1201 1.637,1202 1.838,1203 1.844,1204 0.951,1205 1.871,1206 1.433,1207 1.398,1208 1.627,1209 1.64,1210 0.711,1211 1.627,1212 1.2,1213 1.127,1214 1.573,1215 1.513,1216 0.574,1217 1.532,1218 1.196,1219 1.113,1220 1.534,1221 1.452,1222 0.512,1223 1.495,1224 0.998,1225 0.936,1226 1.264,1227 1.356,1228 0.274,1229 1.334,1230 0.957,1231 0.869,1232 1.213,1233 1.294,1234 0.172,1235 1.278,1236 4.007,1238 5.333,1239 2.398,1240 6.862,1241 4.727,1242 8.488,1243 6.843,1244 10.165,1246 6.007,1250 11.676,1252 0.985,1254 5.537,1256 0.317,1262 29.256,1263 72.248,1264 178.536,1265 220.801,1266 238.801,1267 240.801,1268 240.801,1269 39.097,1270 7.039,1271 100.19,1272 100.19,1273 17,1274 12.537,1275 4.17,1276 3.322,1277 41.401,1278 79,1279 81,1280 0.258,1281 182.595,1282 307.94,1283 437.292,1284 9454,1286 17.974,1287 0.719,1288 0.585,1289 17.974,1290 14.614,1291 12.045,1292 0.446,1293 0.304,1294 8.078,1295 11.569,1296 7.792,1297 6.575,1298 12.045,1299 8.199,1300 10.63,1301 0.28,1302 0.157,1303 10.63,1304 5.948,1305 9.125,1306 0.175,1307 0.084,1308 9.125,1309 4.38,1310 7.87,1311 0.112,1312 0.041,1313 7.87,1314 2.871,1315 5.929,1316 0.071,1317 0.022,1318 5.929,1319 1.852,1320 0.39,1321 75.689,1322 0.239,1323 23.638,1324 0.756,1325 130,1326 371.386,1327 142.915,1328 360.34,1329 502.94,1330 338,1331 155,1332 384.233,1333 167.639,1334 391.032,1335 573.06,1336 366,1337 5.016}
{0 CHEMBL604090,1 1.633,2 10.88,3 3.625,4 13.14,5 103.832,6 8.499,7 0.786,8 3.838,9 3.946,10 3.567,11 3.48,12 5.03,13 3.444,14 4.287,15 4.413,16 3.929,17 3.87,18 5.468,19 3.8,20 4.464,21 4.629,22 3.955,23 3.957,24 5.518,25 3.859,26 4.513,27 4.69,28 3.949,29 3.921,30 5.638,31 3.796,32 4.498,33 4.714,34 3.763,35 3.832,36 5.499,37 3.691,38 4.367,39 4.587,40 3.588,41 3.759,42 5.255,43 3.588,44 4.231,45 4.436,46 3.514,47 3.585,48 5.233,49 3.47,50 4.176,51 4.398,52 3.331,53 3.469,54 5.184,55 3.373,56 0.045,57 0.61,58 7.188,59 3.464,60 10.536,61 3.947,62 0.198,63 0.961,64 14.4,65 6.488,66 19.911,67 7.421,68 0.102,69 1.131,70 18.492,71 7.786,72 15.207,73 8.998,74 0.328,75 1.161,76 21.631,77 8.701,78 34.642,79 10.088,80 0.301,81 1.161,82 22.639,83 7.758,84 34.997,85 9.106,86 0.104,87 0.965,88 22.004,89 8.698,90 18.063,91 10.495,92 0.133,93 0.851,94 17.045,95 6.491,96 19.524,97 7.826,98 0.144,99 0.815,100 16.504,101 5.889,102 20.139,103 7.082,104 5,105 39,106 0.282,107 0.599,108 0.702,109 0.819,110 0.856,111 0.868,112 3.267,113 0.939,114 -5.48,115 -5.36,116 -5,119 46.3,125 1,139 9,140 4,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 12,169 2,170 4,172 3,173 3,175 1,178 17,180 1,182 2,187 1,189 15,191 1,192 1,193 1,195 3,196 3,197 1,198 1,200 2,201 12,204 1,205 1,207 2,212 2,215 12,218 2,221 2,229 9,234 6,239 3,241 6,243 3,246 6,251 2,254 4,256 2,260 6,265 4,268 3,270 4,273 843,274 17.154,275 17.154,276 17.154,277 17.154,278 17.154,279 14.515,280 11.604,281 10.205,282 17.517,283 13.859,284 13.859,285 13.859,286 13.859,287 13.859,288 9.947,289 13.928,290 4.872,291 14.46,292 3.725,293 1.896,294 1.3,295 0.622,296 0.409,297 0.341,298 3.968,300 1,301 1,302 1,303 601,304 2.449,306 53.097,307 220.884,310 99.739,314 1.504,315 16.819,317 1,318 0.75,319 1,320 1,321 0.6,323 1,324 1,325 0.76,326 53,327 272,328 4.638,329 4.438,330 6.78,331 4.163,332 3.188,333 4.608,334 3.272,335 11.107,336 3.111,337 4.265,338 3.29,339 6.168,340 3.882,341 2.892,342 3.914,344 9.174,345 2.867,346 3.781,347 2.908,348 5.367,349 3.349,350 2.427,351 3.276,353 6.956,354 2.232,355 3.691,356 2.722,357 5.254,358 3.231,359 2.293,360 3.148,362 6.596,363 2.145,364 3.407,365 2.306,366 5.063,367 2.924,368 1.98,369 2.789,371 5.79,372 1.866,373 3.223,374 2.065,375 4.758,376 2.776,377 1.816,378 2.507,380 4.985,381 1.73,382 3.043,383 1.885,384 4.389,385 2.649,386 1.683,387 2.222,389 4.348,390 1.616,391 2.757,392 1.626,393 3.59,394 2.277,395 1.297,396 1.872,398 2.84,399 1.263,400 2.5,401 1.363,402 3.553,403 2,404 1,405 1.5,407 2.389,408 1,409 2.5,410 1,411 3.429,412 2,413 1,414 1.5,415 2.136,416 1,417 2.304,418 1,419 3.247,420 1.828,421 0.856,422 1.22,423 2.114,424 0.828,425 1.794,426 0.856,427 3.201,428 1.429,429 0.57,430 0.678,431 1.416,432 0.477,433 1.118,434 0.487,435 2.685,436 0.695,437 -0.225,438 -0.284,439 -0.597,440 -0.205,441 0.941,442 -0.028,443 2.484,444 0.516,445 -0.437,446 -0.563,448 -1.099,449 -0.401,450 0.861,451 -0.296,452 2.4,453 0.448,454 -0.51,455 -0.669,457 -1.228,458 -0.495,459 12.267,460 0.491,461 0.554,462 0.022,463 37.5,464 1.5,465 21.5,466 0.86,467 16,468 0.64,469 16.558,470 0.662,471 24.933,472 0.608,473 25.024,474 1.001,475 7.284,476 0.291,477 4.92,478 0.197,479 0.065,481 0.326,485 1.031,486 0.938,487 0.728,488 0.753,489 1.242,490 0.733,491 0.643,492 0.823,493 0.986,494 1.004,495 0.504,496 0.909,497 0.904,498 1.108,499 1.089,500 1.106,501 0.871,502 1.037,503 0.704,504 1.036,505 1.134,506 1.205,507 0.629,508 1.137,509 1.33,510 0.876,511 1.193,512 1,513 1.398,514 1.033,515 0.522,516 0.967,517 1.227,518 1.231,519 0.559,520 1.075,521 0.98,522 1.073,523 1.048,524 1.11,525 0.824,526 1.025,527 1.102,528 1.024,529 1.108,530 1.049,531 1.018,532 0.978,533 4.5,534 0.102,535 2.444,536 1.785,537 1.143,538 0.566,539 0.354,540 0.19,541 0.214,542 0.182,543 7827,544 21489,545 2.154,546 39,548 11,549 1,551 4,555 1.677,556 2.055,557 3.406,558 1.736,560 1,564 66.949,565 1.633,566 3.461,567 4.058,568 4.735,569 4.949,570 5.016,571 2.855,572 4.324,573 4.62,574 3.544,575 1063.08,576 7.968,577 13019.6,578 1,579 1,581 1,582 219.66,583 1.26,584 4.592,585 0.161,586 0.006,587 0.063,588 0.047,589 0.034,590 0.021,591 0.014,592 0.008,593 0.01,594 0.009,595 0.371,597 0.88,598 0.477,599 121.41,600 -0.142,601 0.114,602 0.038,603 0.122,604 -0.282,605 0.097,606 0.289,607 0.198,608 -0.018,609 0.003,610 0.247,611 -0.01,612 -0.083,613 -0.099,614 -0.07,615 -0.082,616 -0.106,617 -0.093,618 0.351,619 -0.056,620 -0.012,621 -0.125,622 0.308,623 -0.161,624 -0.241,625 0.128,626 -0.081,627 0.048,628 -0.326,629 -0.045,630 0.077,631 -0.065,632 -0.001,633 -0.05,634 0.08,635 0.026,636 -0.026,637 -0.142,638 -0.001,639 -0.072,640 0.048,641 -0.011,642 -0.113,643 -0.054,644 -0.116,645 -0.072,646 -0.07,647 0.015,648 1.547,649 1.971,650 0.84,651 20.006,652 1.003,653 1.113,654 4.248,655 18.046,656 0.724,657 3.367,658 3.689,659 3.97,660 4.263,661 4.431,662 4.454,663 4.533,664 4.605,665 4.654,666 4.7,667 6.328,668 0.687,669 348.46,670 3.367,671 4.905,672 5.759,673 6.64,674 7.507,675 8.393,676 9.266,677 10.154,678 11.03,679 11.92,680 9.8,684 2,690 2,694 2,695 10,696 2,698 1,700 6,702 22,711 2,718 41,719 22,720 2,721 28,723 44,724 19,725 18,726 3,727 9,729 4,730 5,741 18,742 1,753 1,754 1,756 1,757 16,758 5,759 4,760 6,761 1,764 4,769 0.75,770 1,776 1,780 1,781 3,784 1,802 3,803 1,804 1,810 25,811 2,816 1,819 1,829 2.4,834 1,836 12.167,837 7.233,838 5.444,839 2.214,840 4.186,841 1.561,842 1.049,843 4.343,844 11.652,845 3.689,846 4.347,847 4.986,848 5.622,849 6.126,850 6.37,851 6.733,852 7.079,853 7.255,854 7.496,855 1,856 38,857 9.159,859 3.894,860 7.667,861 17.512,863 14.397,865 2.167,866 54.167,869 1,870 141.253,871 152.46,872 99.365,874 9.507,876 32.22,877 120.24,878 150.761,879 99.365,881 0.9,882 162.82,883 37.978,884 23.188,885 15.998,886 161.702,888 141.253,889 219.606,890 9.507,891 32.22,893 141.253,894 9.507,897 7.206,898 178.828,899 33.571,900 32.22,901 141.253,902 108.873,903 152.46,906 141.253,907 55.434,908 97.026,910 108.873,911 141.253,912 108.873,913 152.46,915 0.579,916 0.34,917 0.195,918 0.102,919 20,920 8,921 0.091,922 4,923 1,924 1.095,925 3.812,926 208.043,927 0.095,928 21,929 112.096,930 1,933 16.001,934 6.786,935 3.339,936 1.166,937 108.873,938 20.442,939 8.095,941 5.468,943 4.998,945 65.794,946 402.586,947 39,956 41.113,957 45.614,958 0.305,959 0.646,960 0.757,961 0.884,962 0.924,963 0.936,964 4.902,965 1.297,966 5.733,967 4.348,968 4.369,969 5.034,970 3.11,971 6.538,972 4.292,973 6.123,974 1,975 7.281,976 2.84,977 3.892,978 4.808,980 7.416,981 3.78,982 7.433,983 1,984 8.931,985 2.389,986 5.948,987 7.306,988 5.44,989 10.54,990 5.811,991 8.783,992 0.856,993 10.642,994 2.136,995 6.312,996 7.951,998 12.303,999 6.157,1000 10.166,1001 0.57,1002 12.396,1003 2.114,1004 7.82,1005 9.886,1006 7.807,1007 14.934,1008 7.646,1009 11.575,1010 -0.225,1011 14.179,1012 1.416,1013 8.59,1014 10.968,1016 17.07,1017 8.404,1018 13.004,1019 -0.437,1020 15.986,1021 -0.597,1022 9.872,1023 12.66,1024 10.177,1025 19.539,1026 9.668,1027 3.188,1028 -0.51,1029 17.811,1030 -1.099,1031 10.839,1032 13.965,1034 21.829,1035 10.623,1036 2.892,1037 11.107,1038 19.649,1039 -1.228,1040 12.028,1041 15.551,1042 12.548,1043 24.245,1044 11.794,1045 2.427,1046 9.174,1047 21.5,1048 4.608,1049 13.089,1050 16.967,1052 26.598,1053 12.838,1054 2.293,1055 6.956,1056 23.36,1057 3.914,1058 14.244,1059 18.51,1060 14.919,1061 28.999,1062 13.974,1063 1.98,1064 6.596,1065 25.228,1066 3.276,1067 15.348,1068 19.98,1070 31.379,1071 15.059,1072 1.816,1073 5.79,1074 27.102,1075 3.148,1076 16.492,1077 21.506,1078 17.29,1079 33.778,1080 16.182,1081 1.683,1082 4.985,1083 28.982,1084 2.789,1085 17.617,1086 23.003,1088 36.169,1089 17.285,1090 7316,1091 12285,1092 19.186,1093 29.693,1094 42.376,1095 45.04,1096 42.741,1097 42.047,1098 42.006,1099 58.465,1100 6.545,1101 119.705,1102 40.272,1103 5.477,1104 6.438,1105 6.582,1106 5.281,1107 5.188,1108 7.608,1109 6.545,1110 17.998,1111 5.111,1112 9.092,1113 1.513,1114 1.609,1115 1.526,1116 1.502,1117 1.5,1118 2.088,1119 0.234,1120 4.275,1121 1.438,1122 4.087,1123 4.106,1124 4.124,1125 3.992,1126 5.362,1127 3.987,1128 3.983,1129 4.005,1130 3.973,1131 3.905,1132 4.984,1133 3.919,1134 3.737,1135 3.767,1136 3.775,1137 3.697,1138 4.946,1139 3.675,1140 3.427,1141 3.491,1142 3.457,1143 3.26,1144 4.831,1145 3.245,1146 3.1,1147 3.197,1148 3.248,1149 2.978,1150 4.598,1151 2.94,1152 3.053,1153 3.11,1154 2.961,1155 2.848,1156 4.14,1157 2.83,1158 2.94,1159 2.992,1160 2.826,1161 2.735,1162 3.873,1163 2.775,1164 2.854,1165 2.925,1166 2.687,1167 2.728,1168 3.731,1169 2.715,1170 0.166,1171 0.159,1172 0.242,1173 0.149,1174 0.114,1175 4.638,1176 0.165,1177 4.438,1178 0.117,1179 6.78,1180 0.397,1181 4.163,1182 0.111,1183 3.188,1184 4.608,1185 3.272,1186 11.107,1187 3.111,1188 1.986,1189 1.967,1190 2.078,1191 2.041,1192 1.202,1193 2.059,1194 1.823,1195 1.795,1196 1.882,1197 1.992,1198 1.075,1199 1.954,1200 1.745,1201 1.717,1202 1.848,1203 1.827,1204 0.933,1205 1.851,1206 1.457,1207 1.432,1208 1.579,1209 1.661,1210 0.629,1211 1.649,1212 1.004,1213 0.978,1214 1.253,1215 1.356,1216 0.29,1217 1.336,1218 0.96,1219 0.91,1220 1.189,1221 1.303,1222 0.227,1223 1.283,1224 0.952,1225 0.867,1226 1.181,1227 1.097,1228 0.218,1229 1.131,1230 0.886,1231 0.821,1232 1.173,1233 1.062,1234 0.115,1235 1.107,1236 4.043,1238 5.361,1239 2.398,1240 6.876,1241 4.727,1242 8.482,1243 6.843,1244 10.136,1250 11.574,1252 0.711,1255 1.712,1262 28.148,1263 66.949,1264 141.911,1265 166.375,1266 194.15,1267 202.905,1268 205.66,1269 30.043,1270 7.466,1271 90.96,1272 116.26,1273 23,1274 12.452,1275 4.524,1276 3.585,1277 36.081,1278 97,1279 85,1280 0.183,1281 176.482,1282 289.12,1283 422.375,1284 18837,1286 17.225,1287 0.689,1288 0.567,1289 17.579,1290 14.163,1291 12.204,1292 0.436,1293 0.313,1294 7.786,1295 11.399,1296 7.523,1297 6.242,1298 12.658,1299 8.764,1300 10.997,1301 0.282,1302 0.17,1303 11.574,1304 6.639,1305 9.219,1306 0.177,1307 0.095,1308 9.877,1309 4.933,1310 8.222,1311 0.117,1312 0.052,1313 8.926,1314 3.63,1315 6.286,1316 0.076,1317 0.031,1318 7.08,1319 2.542,1320 0.29,1321 80.064,1322 0.228,1323 24.412,1324 0.494,1325 134,1326 366.511,1327 166.319,1328 385.209,1329 538.36,1330 362,1331 158,1332 395.745,1333 186.022,1334 416.82,1335 610.13,1336 392,1337 4.51}
{0 CHEMBL604709,1 1.521,2 11,3 3.775,4 14.25,5 117.276,6 7.578,7 0.758,8 4.059,9 4.188,10 3.652,11 3.589,12 5.186,13 3.585,14 4.57,15 4.747,16 4.053,17 4.004,18 5.652,19 3.984,20 4.759,21 4.947,22 4.121,23 4.159,24 5.76,25 4.117,26 4.905,27 5.101,28 4.116,29 4.24,30 5.945,31 4.156,32 4.964,33 5.196,34 3.904,35 4.204,36 5.894,37 4.075,38 4.914,39 5.177,40 3.785,41 4.083,42 5.749,43 3.941,44 4.736,45 4.999,46 3.665,47 3.888,48 5.649,49 3.78,50 4.587,51 4.839,52 3.603,53 3.797,54 5.501,55 3.696,56 0.038,57 0.817,58 10.279,59 4.105,60 11.665,61 5.468,62 0.273,63 1.302,64 19.106,65 7.118,66 25.575,67 9.686,68 0.156,69 1.543,70 23.222,71 8.559,72 17.454,73 11.912,74 0.402,75 1.689,76 27.69,77 10.814,78 40.139,79 14.993,80 0.377,81 1.7,82 31.203,83 11.737,84 43.35,85 16.309,86 0.218,87 1.535,88 31.275,89 11.716,90 33.803,91 16.87,92 0.329,93 1.335,94 26.206,95 8.286,96 37.296,97 12.08,98 0.203,99 1.16,100 22.05,101 7.54,102 26.401,103 10.917,104 18,105 49,106 0.25,107 0.625,108 0.775,109 0.858,110 0.877,111 0.877,112 3.409,113 0.871,114 -4.62,115 -4.54,116 -4.27,119 43.1,120 1,124 1,125 2,139 7,140 4,141 1,144 1,147 1,148 1,149 2,155 1,157 2,158 2,159 2,166 8,169 2,170 12,172 3,173 3,175 1,178 8,180 1,182 9,187 1,189 8,191 1,192 2,193 2,195 3,196 3,197 1,198 1,200 2,201 12,204 1,205 1,206 3,207 1,209 1,210 1,212 1,215 13,218 1,221 4,229 6,234 9,236 1,237 1,239 2,241 2,243 2,246 6,251 2,254 3,256 2,259 1,260 3,265 3,268 4,270 3,273 1223,274 19.817,275 19.817,276 19.817,277 19.817,278 19.817,279 16.94,280 21.295,281 11.308,282 20.229,283 16.23,284 16.23,285 16.23,286 16.23,287 16.23,288 11.758,289 27.646,290 5.25,291 16.882,292 4.151,293 1.875,294 0.964,295 0.461,296 0.343,297 0.343,298 4.118,301 1,302 1,303 715,304 3.24,306 104.901,307 195.866,310 291.443,314 1.586,315 19.612,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 62,327 319,328 4.824,329 3.392,330 7.05,331 4.323,332 3.354,333 4.93,334 0.916,335 12.152,336 3.256,337 4.641,338 3.296,339 6.786,340 4.172,341 3.196,342 4.609,343 0.172,344 11.135,345 3.122,346 4.039,347 2.982,348 6.065,349 3.699,350 2.755,351 3.598,353 8.732,354 2.605,355 3.723,356 2.462,357 5.701,358 3.27,359 2.325,360 3.184,362 7.318,363 2.208,364 3.653,365 2.264,366 5.653,367 3.185,368 2.219,369 3.121,371 7.172,372 2.125,373 3.491,374 2.199,375 5.293,376 3.061,377 2.106,378 2.859,380 6.601,381 2.005,382 3.404,383 2.066,384 5.063,385 2.922,386 1.98,387 2.783,389 5.791,390 1.865,391 3.061,392 1.886,393 4.781,394 2.675,395 1.71,396 2.243,398 5.047,399 1.645,400 2.915,401 1.463,402 4.083,403 2.426,404 1.434,405 2.113,407 3.304,408 1.422,409 2.542,410 1.313,411 3.895,412 2.172,413 1.207,414 1.553,415 3.138,416 1.162,417 2.5,418 1.108,419 3.745,420 2,421 1.006,422 1.5,423 2.537,424 1,425 2.32,426 1,427 3.587,428 1.979,429 1,430 1.262,431 2.329,432 0.976,433 2.229,434 0.861,435 3.555,436 1.793,437 0.816,438 1.139,439 2.066,440 0.796,441 1.477,442 0.267,443 2.87,444 1.2,445 0.223,446 0.273,448 0.367,449 0.218,450 1.172,451 0.157,452 2.725,453 0.842,454 -0.101,455 -0.119,457 -0.265,458 -0.094,459 13.733,460 0.474,461 0.781,462 0.027,463 41.5,464 1.431,465 21.5,466 0.741,467 20,468 0.69,469 22.547,470 0.777,471 30.067,472 0.59,473 31.141,474 1.074,475 8.16,476 0.281,477 5.903,478 0.204,479 0.131,481 0.422,485 1.048,486 1.302,487 0.784,488 0.998,489 1.203,490 0.871,491 0.877,492 0.886,493 0.733,494 0.787,495 0.476,496 0.747,497 1.003,498 1.128,499 0.907,500 0.979,501 0.774,502 0.928,503 0.71,504 1.087,505 1.044,506 1.173,507 0.592,508 1.165,509 0.969,510 0.921,511 1.216,512 1.162,513 1.142,514 1.221,515 0.748,516 1.051,517 0.945,518 1.109,519 0.651,520 1.074,521 1.203,522 0.873,523 1.105,524 0.909,525 1.071,526 0.972,527 0.996,528 0.968,529 0.984,530 0.96,531 0.905,532 0.964,533 5.5,534 0.207,535 3.778,536 3.396,537 1.635,538 1.226,539 0.688,540 0.337,541 0.298,542 0.242,543 11120,544 27451,545 2.15,546 43.1,548 14,549 1,551 4,553 3,555 1.719,556 2,557 3.411,558 1.629,560 1,564 77.569,565 1.521,566 3.797,567 4.708,568 5.211,569 5.329,570 5.329,571 2.879,572 4.72,573 4.834,574 3.574,575 1450.85,576 8.412,577 19170.7,579 1,581 1,582 289.294,583 1.44,584 4.786,585 0.167,586 0.008,587 0.077,588 0.065,589 0.033,590 0.032,591 0.02,592 0.011,593 0.01,594 0.009,595 0.433,597 0.88,598 0.729,599 146.176,600 -0.104,601 -0.128,602 0.053,603 -0.009,604 -0.228,605 0.039,606 0.17,607 0.224,608 0.174,609 0.189,610 0.275,611 0.181,612 -0.117,613 -0.043,614 -0.005,615 0.005,616 -0.045,617 0.019,618 0.223,619 -0.067,620 -0.123,621 -0.165,622 0.227,623 -0.192,624 -0.059,625 0.046,626 -0.257,627 -0.158,628 -0.218,629 -0.226,630 0.031,631 -0.172,632 0.05,633 -0.076,634 0.055,635 -0.025,636 -0.163,637 0.098,638 -0.091,639 0.044,640 -0.099,642 -0.092,643 -0.009,644 0.006,645 0.025,646 -0.011,647 0.032,648 1.554,649 2.059,650 0.759,651 24.385,652 1,653 1.128,654 3.386,655 11.467,656 0.678,657 3.526,658 3.912,659 4.277,660 4.635,661 4.868,662 5.011,663 5.153,664 5.283,665 5.298,666 5.398,667 6.5,668 0.648,669 386.5,670 3.526,671 5.106,672 6.004,673 6.927,674 7.84,675 8.768,676 9.687,677 10.616,678 11.537,679 12.466,680 11.8,684 2,686 1,688 1,690 2,694 6,695 8,696 2,698 1,700 4,701 1,702 25,711 2,714 1,718 51,719 25,720 2,721 33,723 55,724 22,725 18,726 5,727 7,729 5,730 9,734 1,741 18,742 4,754 1,756 1,757 22,758 6,759 4,760 7,764 6,769 0.4,770 1,776 1,777 1,780 2,781 3,784 3,802 2,806 2,810 29,811 2,816 2,821 1,829 2,834 1,836 14.5,837 9.8,838 6.25,839 3.042,840 5.16,841 1.618,842 1.063,843 4.281,844 13.504,845 3.839,846 4.58,847 5.324,848 6.054,849 6.65,850 7.093,851 7.565,852 8.017,853 8.224,854 8.574,855 1,856 52,857 10.655,859 4.598,860 7.609,861 20.553,863 17.297,865 2.109,866 61.167,868 1,869 1,870 211.88,871 126.09,872 104.389,874 9.507,877 126.09,878 221.387,879 104.389,880 17.222,881 4.211,882 143.868,883 37.978,884 28.192,885 20.286,886 200.109,888 211.88,889 230.479,890 9.507,893 176.567,894 44.821,897 21.242,898 175.666,899 33.571,901 211.88,902 113.896,903 126.09,906 211.88,907 30.795,908 100.318,910 108.873,911 211.88,912 113.896,913 126.09,915 0.592,916 0.368,917 0.219,918 0.118,919 27,920 12,921 0.073,922 4,923 3,924 1.273,925 3.996,926 275.972,927 0.273,928 22,929 140.881,933 18.128,934 6.848,935 2.882,936 6.149,937 111.997,938 16.78,939 8.188,941 5.552,943 2.491,944 2.348,945 65.794,946 451.866,947 45.5,956 51.007,957 57.521,958 0.268,959 0.669,960 0.83,961 0.919,962 0.939,963 0.939,964 5.095,965 1.71,966 6.019,967 5.791,968 4.595,969 5.268,970 0.918,971 6.915,972 4.522,973 6.357,974 1.434,975 7.628,976 5.047,977 4.29,978 5.278,979 0.325,980 7.962,981 4.168,982 7.71,983 1.207,984 9.337,985 3.304,986 6.267,987 7.675,988 0.671,989 11.124,990 6.128,991 9.105,992 1.006,993 11.106,994 3.138,995 6.792,996 8.548,997 0.393,998 13.02,999 6.614,1000 10.534,1001 1,1002 12.912,1003 2.537,1004 8.257,1005 10.424,1006 0.533,1007 15.71,1008 8.061,1009 11.99,1010 0.816,1011 14.744,1012 2.329,1013 9.158,1014 11.695,1015 0.384,1016 17.956,1017 8.931,1018 13.467,1019 0.223,1020 16.597,1021 2.066,1022 10.436,1023 13.376,1024 0.438,1025 20.494,1026 10.189,1027 3.354,1028 -0.101,1029 18.465,1030 0.367,1031 11.503,1032 14.825,1033 0.351,1034 22.88,1035 11.229,1036 3.196,1037 12.152,1038 20.345,1039 -0.265,1040 12.716,1041 16.435,1042 0.366,1043 25.372,1044 12.42,1045 2.755,1046 11.135,1047 22.235,1048 4.93,1049 13.854,1050 17.958,1051 0.312,1052 27.813,1053 13.531,1054 2.325,1055 8.732,1056 24.134,1057 4.609,1058 15.047,1059 19.544,1060 0.309,1061 30.292,1062 14.7,1063 2.219,1064 7.318,1065 26.039,1066 3.598,1067 16.214,1068 21.099,1069 0.273,1070 32.755,1071 15.841,1072 2.106,1073 7.172,1074 27.95,1075 3.184,1076 17.404,1077 22.678,1078 0.262,1079 35.233,1080 17.005,1081 1.98,1082 6.601,1083 29.866,1084 3.121,1085 18.584,1086 24.247,1087 0.236,1088 37.706,1089 18.159,1090 10282,1091 16338,1092 22.194,1093 34.58,1094 51.029,1095 50.628,1096 53.301,1097 50.777,1098 50.662,1099 70.334,1100 2.178,1101 155.375,1102 48.807,1103 5.665,1104 5.392,1105 6.729,1106 5.395,1107 5.354,1108 7.93,1109 1.605,1110 19.405,1111 5.256,1112 13.988,1113 1.546,1114 1.534,1115 1.615,1116 1.539,1117 1.535,1118 2.131,1119 0.066,1120 4.708,1121 1.479,1122 4.235,1123 4.264,1124 4.206,1125 4.159,1126 5.363,1127 4.167,1128 4.077,1129 4.099,1130 4.06,1131 3.926,1132 5.001,1133 3.956,1134 3.726,1135 3.771,1136 3.657,1137 3.639,1138 4.983,1139 3.637,1140 3.526,1141 3.599,1142 3.416,1143 3.345,1144 4.945,1145 3.349,1146 3.43,1147 3.505,1148 3.318,1149 3.228,1150 4.552,1151 3.238,1152 3.287,1153 3.363,1154 3.139,1155 3.045,1156 4.23,1157 3.061,1158 3.08,1159 3.197,1160 2.962,1161 2.903,1162 4.137,1163 2.892,1164 3.008,1165 3.076,1166 2.878,1167 2.809,1168 4.024,1169 2.799,1170 0.146,1171 0.103,1172 0.214,1173 0.131,1174 0.102,1175 4.824,1176 0.149,1177 3.392,1178 0.028,1179 7.05,1180 0.368,1181 4.323,1182 0.099,1183 3.354,1184 4.93,1185 0.916,1186 12.152,1187 3.256,1188 1.995,1189 1.977,1190 2.073,1191 2.066,1192 1.247,1193 2.067,1194 1.904,1195 1.867,1196 2.013,1197 2.034,1198 1.184,1199 2.033,1200 1.817,1201 1.784,1202 1.879,1203 1.99,1204 1.084,1205 1.954,1206 1.546,1207 1.488,1208 1.775,1209 1.782,1210 0.89,1211 1.779,1212 1.442,1213 1.382,1214 1.669,1215 1.639,1216 0.724,1217 1.662,1218 1.226,1219 1.156,1220 1.501,1221 1.498,1222 0.518,1223 1.499,1224 1.03,1225 0.982,1226 1.254,1227 1.356,1228 0.358,1229 1.332,1230 0.972,1231 0.902,1232 1.244,1233 1.258,1234 0.322,1235 1.25,1236 4.205,1238 5.572,1239 3.045,1240 7.14,1241 5.533,1242 8.801,1243 7.751,1244 10.512,1246 4.225,1250 11.722,1252 1.547,1257 2.164,1262 33.058,1263 77.569,1264 193.668,1265 240.132,1266 265.784,1267 271.784,1268 271.784,1269 35.007,1270 8.344,1271 99.13,1272 99.13,1273 28,1274 12.97,1275 4.7,1276 3.755,1277 39.695,1278 115,1279 110,1280 0.171,1281 200.323,1282 321.25,1283 480.548,1284 52912,1286 20.121,1287 0.694,1288 0.565,1289 20.121,1290 16.385,1291 14.063,1292 0.426,1293 0.29,1294 9.439,1295 13.533,1296 9.176,1297 7.622,1298 14.063,1299 9.577,1300 13.027,1301 0.266,1302 0.147,1303 13.027,1304 7.227,1305 11.604,1306 0.163,1307 0.077,1308 11.604,1309 5.475,1310 10.73,1311 0.105,1312 0.04,1313 10.73,1314 4.13,1315 8.543,1316 0.066,1317 0.022,1318 8.543,1319 2.791,1320 0.267,1321 87.876,1322 0.212,1323 27.244,1324 0.472,1325 164,1326 424.94,1327 178.866,1328 420.35,1329 602.3,1330 396,1331 202,1332 476.673,1333 217.644,1334 484.854,1335 720.41,1336 457,1337 4.609}
{0 CHEMBL604722,1 2.128,2 9.519,3 4.475,4 20.022,5 84.994,6 12.127,7 0.552,8 3.741,9 3.822,10 3.682,11 3.23,12 5.25,13 3.313,14 4.25,15 4.348,16 4.238,17 3.598,18 6.226,19 3.702,20 4.382,21 4.463,22 4.423,23 3.692,24 6.269,25 3.815,26 4.539,27 4.634,28 4.494,29 3.595,30 6.825,31 3.754,32 4.426,33 4.568,34 4.215,35 3.439,36 6.715,37 3.549,38 4.154,39 4.301,40 3.979,41 3.356,42 5.775,43 3.419,44 4.107,45 4.255,46 3.737,47 3.188,48 5.854,49 3.332,50 4.147,51 4.321,52 3.812,53 3.008,54 6.14,55 3.218,56 0.599,57 1.167,58 0.695,59 3.181,60 102.863,61 1.618,62 1.384,63 2.087,64 6.136,65 5.909,66 239.25,67 3.877,68 1.397,69 2.483,70 3.697,71 6.844,72 245.818,73 2.945,74 2.186,75 2.859,76 10.759,77 8.016,78 397.105,79 4.085,80 2.008,81 2.172,82 7.044,83 5.533,84 319.607,85 2.503,86 1.235,87 1.43,88 15.296,89 6.259,90 191.521,91 5.422,92 1.196,93 1.325,94 7.033,95 4.604,96 198.833,97 2.789,98 1.398,99 1.115,100 9.542,101 4.069,102 200.799,103 3.384,104 102,105 46,106 0.39,107 0.719,108 0.773,109 0.816,110 0.816,111 0.816,112 3.341,113 0.794,114 -5.62,115 -5.49,116 -5.12,119 41.2,120 1,131 1,140 3,141 5,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 2,169 2,170 5,172 3,173 3,175 1,178 2,180 1,182 3,187 1,189 2,191 1,192 1,193 3,195 3,196 3,197 1,198 2,200 2,201 1,204 2,205 1,207 1,212 2,218 2,221 1,226 2,229 1,231 2,241 2,246 1,260 1,265 1,270 1,273 986,274 16.748,275 16.748,276 16.748,277 16.748,278 16.748,279 14.516,280 15.288,281 9.057,282 17.5,283 14.19,284 14.19,285 14.19,286 14.19,287 14.19,288 10.861,289 16.076,290 4.231,291 15.664,292 2.959,293 1.162,294 0.868,295 0.633,296 0.633,297 0.633,298 4.003,301 1,302 1,303 535,304 3.606,306 57.771,307 164.865,310 113.263,314 1.353,315 87.04,318 0.75,319 1,320 1,321 0.4,323 1,324 1,325 0.74,326 67.5,327 257,328 4.764,329 4.636,330 7.443,331 4.398,332 3.501,333 4.678,334 3.825,335 13.067,336 3.168,337 4.691,338 4.484,339 6.879,340 4.227,341 3.261,342 4.45,343 2.95,344 11.417,345 3.137,346 4.164,347 3.61,348 6.584,349 3.817,350 2.955,351 3.46,353 10.173,354 2.508,355 3.828,356 3.18,357 5.791,358 3.38,359 2.469,360 3.282,362 7.627,363 2.244,364 3.637,365 3.006,366 5.736,367 3.2,368 2.303,369 3,371 7.292,372 2.033,373 3.445,374 2.839,375 5.445,376 2.992,377 2.088,378 2.816,380 6.534,381 1.903,382 3.308,383 2.332,384 5.14,385 2.872,386 1.976,387 2.538,389 6.024,390 1.724,391 3.161,392 2.072,393 4.958,394 2.717,395 1.784,396 2.349,398 5.499,399 1.624,400 2.538,401 1.944,402 4.272,403 2.166,404 1.234,405 1.55,407 3.432,408 1.135,409 1.781,410 1.86,411 3.831,412 1.409,413 0.618,414 0.686,415 1.494,416 0.475,417 1.715,418 1.691,419 3.618,420 1.341,421 0.511,422 0.591,423 1.464,424 0.411,425 1.148,426 0.905,427 3.088,428 0.79,429 -0.123,430 -0.138,431 -0.326,432 -0.103,433 1.091,434 0.51,435 2.728,436 0.689,437 -0.186,438 -0.223,439 -0.477,440 -0.166,441 0.856,442 0.51,443 2.646,444 0.51,445 -0.332,446 -0.405,448 -0.866,449 -0.279,450 0.62,451 0.491,452 2.473,453 0.304,454 -0.581,455 -0.672,457 -1.387,458 -0.511,459 11.767,460 0.436,461 1.243,462 0.046,463 33.75,464 1.25,465 15.5,466 0.574,467 18.25,468 0.676,469 23.59,470 0.874,471 31.433,472 0.925,473 31.587,474 1.17,475 7.075,476 0.262,477 5.355,478 0.198,479 0.28,480 0.042,481 0.51,482 3,483 4,485 0.739,486 0.866,487 0.633,488 0.799,489 0.715,490 0.666,491 0.61,492 0.76,493 0.508,494 0.826,495 0.573,496 0.594,497 0.933,498 1.176,499 0.817,500 1.22,501 0.883,502 0.859,503 0.767,504 1.011,505 1.091,506 1.409,507 0.698,508 1.225,509 0.633,510 0.577,511 0.999,512 0.742,513 0.518,514 1,515 0.571,516 0.999,517 0.869,518 1.432,519 0.633,520 1.179,521 1.188,522 1.17,523 1.265,524 1.149,525 1.196,526 1.254,527 0.999,528 0.982,529 0.727,530 0.692,531 1.139,532 0.842,533 8,534 0.141,535 4.444,536 4.417,537 2.636,538 1.188,539 0.69,540 0.593,541 0.479,542 0.316,543 7332,544 41011,545 1.901,546 20.6,547 3,551 4,555 1.704,556 1.662,557 3.188,558 1.918,560 1,564 72.368,565 2.128,566 3.925,567 4.22,568 4.455,569 4.455,570 4.455,571 2.634,572 4.282,573 4.731,574 3.368,575 1182.24,576 8.227,577 14496,579 1,581 1,582 172.974,583 1.635,584 4.598,585 0.276,586 0.012,587 0.097,588 0.087,589 0.053,590 0.032,591 0.022,592 0.02,593 0.017,594 0.013,595 0.628,596 0.17,597 0.88,598 0.883,599 131.074,600 -0.124,601 -0.029,602 -0.054,603 0.108,604 -0.124,605 0.151,606 0.184,607 0.158,608 0.307,609 0.172,610 0.197,611 0.325,612 -0.116,613 -0.186,614 0.073,615 -0.105,616 -0.067,617 -0.025,618 0.254,619 0.048,620 -0.021,621 -0.255,622 0.31,623 -0.343,624 0.332,625 0.322,626 0.006,627 0.201,628 0.403,629 -0.054,630 0.213,631 -0.233,632 0.488,633 -0.287,634 0.105,635 0.152,636 -0.282,637 -0.234,638 -0.392,639 -0.251,640 -0.281,641 -0.275,642 0.046,643 -0.07,644 0.187,645 0.076,646 -0.105,647 0.196,648 6.879,649 6.033,650 0.556,651 20.316,652 1.112,653 1.193,654 4.393,655 19.296,656 0.691,657 3.401,658 3.85,659 4.143,660 4.454,661 4.605,662 4.7,663 4.771,664 4.883,665 4.934,666 4.963,667 5.743,668 0.744,669 412.32,670 3.401,671 5.017,672 5.905,673 6.847,674 7.751,675 8.69,676 9.6,677 10.538,678 11.452,679 12.388,680 11.8,684 2,690 2,694 2,696 2,698 1,700 10,702 16,711 2,717 4,718 34,719 16,720 1,721 29,723 36,724 14,725 12,726 6,729 3,730 4,734 2,738 1,741 12,742 2,754 1,755 7,756 1,757 7,758 12,759 4,760 13,761 1,764 4,769 0.667,770 1,776 1,780 1,781 2,784 1,802 2,803 1,804 1,806 1,808 7,810 27,811 2,819 1,822 1,828 7,829 2.9,834 1,836 16.25,837 6.65,838 5.611,839 1.721,840 3.193,841 1.434,842 1.023,843 4.691,844 10.545,845 3.638,846 4.391,847 5.035,848 5.676,849 6.18,850 6.535,851 6.864,852 7.273,853 7.532,854 7.868,855 1,856 51,857 9.929,859 3.724,860 9.151,861 16.799,863 13.82,865 3.651,866 98.583,870 35.313,871 108.232,872 99.365,874 9.507,875 104.721,876 32.22,877 76.012,878 44.821,879 204.086,880 8.825,882 65.794,883 37.978,884 105.181,885 64.067,886 67.533,887 7.76,888 35.313,889 175.377,890 114.228,891 32.22,893 95.154,894 54.388,897 26.705,898 115.101,899 33.571,900 32.22,901 140.034,902 108.873,903 108.232,906 43.073,907 91.647,908 8.825,910 213.594,911 35.313,912 213.594,913 108.232,915 0.623,916 0.373,917 0.203,918 0.1,919 24,920 14,921 0.056,922 2,923 1,924 1.133,925 3.49,926 243.693,927 0.133,928 15,929 115.627,930 1,933 19.589,934 6.466,935 3.173,936 -0.047,937 213.594,939 7.375,941 5.203,943 -14.159,945 65.794,946 357.138,947 37,956 37.818,957 40.577,958 0.418,959 0.772,960 0.829,961 0.876,962 0.876,963 0.876,964 4.956,965 1.784,966 6.004,967 6.024,968 4.533,969 5.078,970 3.644,971 6.957,972 4.342,973 6.267,974 1.234,975 7.674,976 5.499,977 4.575,978 5.301,979 3.903,980 8.235,981 4.244,982 7.657,983 0.618,984 9.444,985 3.432,986 6.323,987 7.46,988 5.933,989 11.342,990 5.969,991 9.08,992 0.511,993 11.27,994 1.494,995 7.074,996 8.401,997 6.69,998 13.365,999 6.592,1000 10.528,1001 -0.123,1002 13.13,1003 1.464,1004 8.436,1005 10.152,1006 8.407,1007 16.083,1008 7.921,1009 11.995,1010 -0.186,1011 15.014,1012 -0.326,1013 9.469,1014 11.414,1015 9.388,1016 18.41,1017 8.849,1018 13.477,1019 -0.332,1020 16.917,1021 -0.477,1022 10.721,1023 13.021,1024 10.957,1025 21.005,1026 10.05,1027 3.501,1028 -0.581,1029 18.834,1030 -0.866,1031 11.865,1032 14.429,1033 12.074,1034 23.458,1035 11.106,1036 3.261,1037 13.067,1038 20.763,1039 -1.387,1040 13.089,1041 15.983,1042 13.555,1043 26.015,1044 12.266,1045 2.955,1046 11.417,1047 22.703,1048 4.678,1049 14.279,1050 17.456,1051 14.758,1052 28.522,1053 13.374,1054 2.469,1055 10.173,1056 24.65,1057 4.45,1058 15.499,1059 18.991,1060 16.184,1061 31.07,1062 14.522,1063 2.303,1064 7.627,1065 26.605,1066 3.46,1067 16.71,1068 20.494,1069 17.441,1070 33.602,1071 15.652,1072 2.088,1073 7.292,1074 28.565,1075 3.282,1076 17.933,1077 22.023,1078 18.834,1079 36.151,1080 16.798,1081 1.976,1082 6.534,1083 30.53,1084 3,1085 19.154,1086 23.539,1087 20.124,1088 38.695,1089 17.938,1090 7393,1091 17709,1092 17.342,1093 23.495,1094 45.997,1095 49.696,1096 49.602,1097 45.542,1098 45.402,1099 58.797,1100 13.551,1101 148.045,1102 40.724,1103 5.556,1104 6.636,1105 6.443,1106 5.552,1107 5.501,1108 7.678,1109 6.775,1110 21.067,1111 5.168,1112 20.405,1113 1.586,1114 1.714,1115 1.71,1116 1.57,1117 1.566,1118 2.027,1119 0.467,1120 5.105,1121 1.404,1122 4.092,1123 4.106,1124 4.194,1125 3.978,1126 8.514,1127 3.986,1128 3.947,1129 3.961,1130 3.974,1131 3.828,1132 8.251,1133 3.852,1134 3.443,1135 3.503,1136 3.611,1137 3.26,1138 8.225,1139 3.26,1140 3.318,1141 3.359,1142 3.326,1143 3.054,1144 8.165,1145 3.083,1146 3.087,1147 3.194,1148 3.063,1149 2.749,1150 8.156,1151 2.793,1152 3.002,1153 3.092,1154 3.047,1155 2.724,1156 7.999,1157 2.787,1158 2.995,1159 3.034,1160 2.931,1161 2.699,1162 7.999,1163 2.703,1164 2.699,1165 2.734,1166 2.759,1167 2.48,1168 5.354,1169 2.476,1170 0.164,1171 0.16,1172 0.257,1173 0.152,1174 0.121,1175 4.764,1176 0.161,1177 4.636,1178 0.132,1179 7.443,1180 0.451,1181 4.398,1182 0.109,1183 3.501,1184 4.678,1185 3.825,1186 13.067,1187 3.168,1188 1.865,1189 1.861,1190 1.884,1191 1.997,1192 1.065,1193 1.96,1194 1.815,1195 1.784,1196 1.826,1197 1.981,1198 1,1199 1.938,1200 1.461,1201 1.441,1202 1.624,1203 1.665,1204 0.595,1205 1.664,1206 1.09,1207 1.066,1208 1.266,1209 1.416,1210 0.266,1211 1.342,1212 0.946,1213 0.881,1214 1.105,1215 1.351,1217 1.321,1218 0.917,1219 0.824,1220 1.023,1221 1.311,1223 1.235,1224 0.768,1225 0.751,1226 0.89,1227 1.086,1229 0.976,1230 0.658,1231 0.567,1232 0.744,1233 0.956,1235 0.972,1236 4.078,1238 5.493,1239 2.398,1240 7.089,1241 4.844,1242 8.776,1243 7.034,1244 10.512,1246 1.372,1248 93.408,1250 11.034,1255 0.027,1258 -5.629,1262 25.305,1263 72.368,1264 133.464,1265 143.464,1266 151.464,1267 151.464,1268 151.464,1269 93.877,1270 7.352,1271 90.96,1272 116.26,1273 17,1274 12.89,1275 4.087,1276 3.17,1277 46.87,1278 94,1279 87,1280 0.254,1281 153.083,1282 276.29,1283 365.282,1284 13542,1285 20.6,1286 20.257,1287 0.75,1288 0.512,1289 14.629,1290 13.828,1291 12.429,1292 0.429,1293 0.265,1294 6.678,1295 10.998,1296 6.582,1297 5.332,1298 9.95,1299 7.678,1300 12.974,1301 0.282,1302 0.135,1303 9.777,1304 6.205,1305 10.354,1306 0.167,1307 0.075,1308 8.2,1309 4.63,1310 9.204,1311 0.108,1312 0.038,1313 7.24,1314 3.226,1315 6.369,1316 0.064,1317 0.021,1318 5.863,1319 2.083,1320 0.387,1321 86.584,1322 0.24,1323 25.22,1324 0.73,1325 150,1326 963.288,1327 219.774,1328 755.467,1329 955.4,1330 692,1331 183,1332 642.673,1333 247.762,1334 616.715,1335 942.94,1336 576,1337 4.408}
{0 CHEMBL60486,1 1.54,2 9.783,3 3.274,4 10.72,5 92.9,6 7.367,7 0.68,8 3.838,9 3.972,10 3.389,11 3.352,12 5.006,13 3.341,14 4.324,15 4.511,16 3.752,17 3.727,18 5.448,19 3.695,20 4.461,21 4.623,22 3.828,23 3.891,24 5.559,25 3.842,26 4.666,27 4.897,28 3.738,29 3.928,30 5.689,31 3.833,32 4.648,33 4.877,34 3.629,35 3.881,36 5.603,37 3.767,38 4.609,39 4.852,40 3.442,41 3.779,42 5.534,43 3.641,44 4.571,45 4.879,46 3.364,47 3.627,48 5.401,49 3.471,50 4.316,51 4.597,52 3.227,53 3.339,54 5.378,55 3.242,56 0.039,57 0.65,58 8.749,59 3.421,60 10.389,61 4.698,62 0.263,63 0.977,64 15.862,65 6.031,66 25.001,67 8.262,68 0.087,69 1.169,70 17.043,71 6.572,72 16.278,73 9.221,74 0.257,75 1.283,76 23.23,77 8.001,78 36.89,79 11.646,80 0.196,81 1.198,82 23.035,83 8.388,84 30.001,85 11.967,86 0.244,87 1.119,88 22.731,89 7.823,90 32.112,91 11.334,92 0.144,93 1.017,94 23.311,95 7.914,96 26.418,97 12.292,98 0.291,99 0.836,100 17.826,101 4.716,102 37.167,103 7.445,104 27,105 36,106 0.269,107 0.629,108 0.789,109 0.834,110 0.859,111 0.859,112 3.189,113 0.875,114 -4.39,115 -4.32,116 -4.07,119 40.5,120 2,121 1,124 1,139 3,140 5,142 1,143 1,144 2,147 1,157 2,158 2,159 2,166 10,169 2,170 6,172 3,173 3,175 1,178 12,180 1,182 7,187 1,189 12,191 1,193 7,195 1,196 1,197 1,198 2,200 2,201 11,204 2,205 1,207 8,212 3,215 8,218 3,221 6,226 3,229 2,231 3,234 5,239 4,243 4,245 2,246 5,248 1,249 1,251 4,256 4,265 2,270 2,273 657,274 15.196,275 15.196,276 15.196,277 15.196,278 15.196,279 13.038,280 20.933,281 8.703,282 15.611,283 12.26,284 12.26,285 12.26,286 12.26,287 12.26,288 8.975,289 26.579,290 4.078,291 12.852,292 3.853,293 1.799,294 0.881,295 0.625,296 0.482,297 0.482,298 3.865,300 1,301 1,302 1,303 477,304 2.55,307 184.212,311 96.323,314 1.463,315 18.239,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 49.5,327 225,328 4.623,329 3.285,330 6.681,331 4.157,332 3.172,333 4.587,334 0.86,335 10.773,336 3.125,337 4.242,338 3.074,339 6.09,340 3.831,341 2.87,342 3.889,343 0.68,344 8.859,345 2.764,346 3.839,347 2.735,348 5.572,349 3.431,350 2.466,351 3.331,353 7.24,354 2.391,355 3.609,356 2.476,357 5.347,358 3.2,359 2.229,360 3.033,362 6.757,363 2.161,364 3.508,365 2.436,366 5.191,367 3.093,368 2.17,369 2.837,371 6.382,372 1.989,373 3.336,374 2.137,375 4.918,376 2.913,377 1.966,378 2.637,380 5.629,381 1.849,382 2.826,383 1.576,384 4.343,385 2.373,386 1.419,387 1.956,389 3.86,390 1.361,391 2.758,392 1.552,393 4.131,394 2.34,395 1.374,396 1.852,398 3.638,399 1.313,400 1.86,401 1.101,402 3.338,403 1.527,404 0.625,405 0.737,407 1.397,408 0.557,409 1.569,410 0.669,411 2.923,412 1.267,413 0.353,414 0.414,415 0.706,416 0.322,417 1.316,418 0.369,419 2.768,420 0.995,421 0.054,422 0.066,423 0.109,424 0.051,425 0.971,426 -0.174,427 2.55,428 0.552,429 -0.427,430 -0.547,431 -1.164,432 -0.416,433 0.822,434 -0.249,435 2.421,436 0.473,437 -0.509,438 -0.621,439 -1.243,440 -0.466,441 0.799,442 -0.314,443 2.359,444 0.393,445 -0.515,446 -0.644,448 -1.314,449 -0.5,450 0.622,451 -0.457,452 2.093,453 0.274,454 -0.689,455 -0.91,457 -1.922,458 -0.659,459 10.833,460 0.471,461 0.698,462 0.03,463 32.5,464 1.413,465 17.5,466 0.761,467 15,468 0.652,469 17.154,470 0.746,471 24.567,472 0.585,473 22.628,474 0.984,475 6.468,476 0.281,477 4.506,478 0.196,479 0.212,481 0.415,485 1.027,486 1.248,487 0.833,488 1.028,489 1.243,490 0.914,491 0.8,492 0.769,493 0.673,494 0.747,495 0.515,496 0.717,497 0.964,498 1.345,499 1.04,500 1.226,501 0.893,502 1.155,503 0.93,504 0.934,505 1.096,506 1.053,507 0.968,508 1.082,509 1.029,510 1.079,511 1.115,512 1.183,513 0.884,514 1.173,515 1.157,516 1.075,517 1.226,518 1.177,519 1.116,520 1.218,521 0.387,522 1.046,523 0.652,524 0.957,525 0.466,526 0.863,527 1.18,528 0.939,529 1.043,530 0.881,531 1.267,532 0.925,533 6,534 0.05,535 2.667,536 1.938,537 2.062,538 0.59,539 0.628,540 0.382,541 0.193,542 0.189,543 5265,544 14425,545 2.016,546 45.2,547 8,548 6,550 1,551 4,555 1.658,556 1.84,557 3.224,558 1.822,559 1,560 1,562 1,564 64.67,565 1.54,566 3.593,567 4.511,568 4.767,569 4.91,570 4.91,571 2.736,572 4.524,573 4.494,574 3.353,575 848.349,576 7.741,577 9397.94,578 1,579 1,581 1,582 226.477,583 1.538,584 4.428,585 0.24,586 0.006,587 0.074,588 0.051,589 0.062,590 0.02,591 0.027,592 0.017,593 0.011,594 0.016,595 0.525,596 0.17,597 1,598 0.872,599 106.702,600 -0.121,601 -0.04,602 0.026,603 0.024,604 -0.259,605 0.049,606 0.246,607 0.31,608 0.255,609 0.287,610 0.31,611 0.265,612 -0.142,613 -0.196,614 -0.17,615 -0.184,616 -0.128,617 -0.181,618 -0.084,619 0.104,620 -0.158,621 -0.064,622 -0.069,623 -0.107,624 -0.121,625 -0.112,626 -0.17,627 -0.157,628 -0.064,629 -0.169,630 -0.193,631 -0.13,632 -0.261,633 -0.175,634 -0.241,635 -0.225,636 0.198,637 -0.22,638 0.346,639 0.049,640 0.259,641 0.19,642 -0.024,643 0.027,644 -0.008,646 -0.023,647 -0.004,648 1.479,649 1.928,650 0.696,651 17.595,652 1.001,653 1.134,654 3.156,655 9.959,656 0.662,657 3.258,658 3.611,659 3.871,660 4.143,661 4.407,662 4.431,663 4.533,664 4.585,665 4.718,666 4.71,667 5.537,668 0.631,669 309.41,670 3.258,671 4.812,672 5.666,673 6.558,674 7.432,675 8.325,676 9.207,677 10.101,678 10.987,679 11.881,680 11.9,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 1,718 42,719 17,720 1,721 25,723 44,724 17,725 13,726 4,727 2,729 3,730 4,734 2,739 1,741 13,742 4,753 1,754 1,757 19,758 6,759 4,760 6,764 5,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 3,810 23,811 2,816 1,818 1,829 2.4,834 1,836 12.5,837 8.517,838 5.028,839 2.275,840 3.37,841 1.479,842 0.996,843 4.053,844 10.411,845 3.541,846 4.234,847 4.856,848 5.485,849 6.099,850 6.384,851 6.774,852 7.16,853 7.621,854 7.812,855 0.857,856 38,857 8.417,859 3.486,860 7.717,861 16.004,863 12.805,865 2.217,866 51,869 1,870 176.567,871 95.045,872 116.151,874 11,877 95.045,878 187.566,879 116.151,880 28.533,881 2.535,882 94.223,883 62.128,884 37.507,885 9.042,886 164.795,888 176.567,889 211.196,890 11,893 176.567,894 11,897 33.276,898 127.564,899 50.357,901 176.567,902 127.151,903 95.045,906 176.567,907 29.036,908 66.01,910 127.151,911 176.567,912 127.151,913 95.045,915 0.591,916 0.349,917 0.187,918 0.109,919 18,920 9,921 0.068,922 3,923 1,924 1.125,925 3.411,926 185.728,927 0.125,928 16,929 104.042,933 15.504,934 6.012,935 3.056,936 2.058,937 127.151,938 7.84,939 12.572,943 5.435,945 65.794,946 398.763,947 33.5,956 42.022,957 47.607,958 0.286,959 0.666,960 0.837,961 0.884,962 0.911,963 0.911,964 4.781,965 1.374,966 5.68,967 3.86,968 4.29,969 4.92,970 1.225,971 6.509,972 4.212,973 6.034,974 0.625,975 7.256,976 3.638,977 4.007,978 4.913,980 7.413,981 3.911,982 7.371,983 0.353,984 8.925,985 1.397,986 5.911,987 7.238,988 0.925,989 10.506,990 5.777,991 8.741,992 0.054,993 10.645,994 0.706,995 6.365,996 7.985,998 12.186,999 6.221,1000 10.137,1001 -0.427,1002 12.396,1003 0.109,1004 7.794,1005 9.837,1006 0.697,1007 14.823,1008 7.623,1009 11.552,1010 -0.509,1011 14.171,1012 -1.164,1013 8.598,1014 10.961,1016 16.869,1017 8.419,1018 12.984,1019 -0.515,1020 15.964,1021 -1.243,1022 9.84,1023 12.615,1024 0.525,1025 19.336,1026 9.64,1027 3.172,1028 -0.689,1029 17.771,1030 -1.314,1031 10.816,1032 13.935,1034 21.557,1035 10.607,1036 2.87,1037 10.773,1038 19.59,1039 -1.922,1040 11.984,1041 15.502,1042 0.395,1043 23.958,1044 11.759,1045 2.466,1046 8.859,1047 21.42,1048 4.587,1049 13.043,1050 16.921,1052 26.26,1053 12.808,1054 2.229,1055 7.24,1056 23.258,1057 3.889,1058 14.186,1059 18.454,1060 0.298,1061 28.639,1062 13.937,1063 2.17,1064 6.757,1065 25.105,1066 3.331,1067 15.286,1068 19.923,1070 30.978,1071 15.025,1072 1.966,1073 6.382,1074 26.957,1075 3.033,1076 16.422,1077 21.443,1078 0.224,1079 33.351,1080 16.148,1081 1.419,1082 5.629,1083 28.816,1084 2.837,1085 17.541,1086 22.936,1088 35.708,1089 17.256,1090 5211,1091 8726,1092 16.126,1093 27.813,1094 37.541,1095 38.21,1096 39.47,1097 37.31,1098 37.396,1099 50.675,1100 3.08,1101 110.701,1102 35.764,1103 5.388,1104 5.285,1105 6.216,1106 5.226,1107 5.172,1108 7.587,1109 1.72,1110 17.927,1111 5.125,1112 13.325,1113 1.502,1114 1.528,1115 1.579,1116 1.492,1117 1.496,1118 2.027,1119 0.123,1120 4.428,1121 1.431,1122 4.107,1123 4.131,1124 4.073,1125 4.045,1126 5.291,1127 4.048,1128 3.863,1129 3.917,1130 3.828,1131 3.708,1132 5.019,1133 3.73,1134 3.563,1135 3.604,1136 3.483,1137 3.445,1138 4.978,1139 3.447,1140 3.314,1141 3.382,1142 3.171,1143 3.138,1144 4.591,1145 3.139,1146 3.247,1147 3.324,1148 3.094,1149 2.996,1150 4.441,1151 3.008,1152 3.062,1153 3.18,1154 2.901,1155 2.807,1156 4.18,1157 2.81,1158 2.983,1159 3.095,1160 2.751,1161 2.742,1162 4.037,1163 2.726,1164 2.913,1165 3.021,1166 2.727,1167 2.616,1168 3.778,1169 2.639,1170 0.185,1171 0.131,1172 0.267,1173 0.166,1174 0.127,1175 4.623,1176 0.183,1177 3.285,1178 0.034,1179 6.681,1180 0.431,1181 4.157,1182 0.125,1183 3.172,1184 4.587,1185 0.86,1186 10.773,1187 3.125,1188 2.07,1189 2.05,1190 2.143,1191 2.147,1192 1.331,1193 2.146,1194 1.789,1195 1.746,1196 1.883,1197 1.974,1198 1.026,1199 1.947,1200 1.541,1201 1.5,1202 1.741,1203 1.704,1204 0.828,1205 1.715,1206 1.289,1207 1.224,1208 1.594,1209 1.543,1210 0.59,1211 1.565,1212 1.209,1213 1.133,1214 1.53,1215 1.479,1216 0.562,1217 1.501,1218 1.019,1219 0.919,1220 1.372,1221 1.35,1222 0.414,1223 1.352,1224 0.97,1225 0.87,1226 1.266,1227 1.274,1228 0.245,1229 1.305,1230 0.849,1231 0.734,1232 1.182,1233 1.177,1234 0.021,1235 1.19,1236 3.932,1238 5.273,1240 6.812,1242 8.448,1244 10.135,1246 5.72,1250 11.472,1252 0.647,1254 5.255,1262 26.509,1263 64.67,1264 150.914,1265 189.458,1266 200.213,1267 206.213,1268 206.213,1269 30.803,1270 7.041,1271 99.94,1272 99.94,1273 18,1274 12.408,1275 4.17,1276 3.248,1277 36.843,1278 77,1279 76,1280 0.243,1281 166.209,1282 275.55,1283 397.309,1284 9671,1286 16.56,1287 0.72,1288 0.584,1289 16.56,1290 13.421,1291 10.974,1292 0.439,1293 0.292,1294 7.187,1295 10.553,1296 6.87,1297 5.786,1298 10.974,1299 7.294,1300 10.257,1301 0.285,1302 0.156,1303 10.257,1304 5.606,1305 8.456,1306 0.18,1307 0.082,1308 8.456,1309 3.867,1310 7.054,1311 0.114,1312 0.044,1313 7.054,1314 2.706,1315 5.897,1316 0.073,1317 0.024,1318 5.897,1319 1.92,1320 0.375,1321 68.805,1322 0.249,1323 22.326,1324 0.686,1325 122,1326 341.295,1327 133.093,1328 337.789,1329 469.51,1330 316,1331 144,1332 355.334,1333 154.318,1334 366.818,1335 531.6,1336 341,1337 4.208}
{0 CHEMBL604879,1 1.537,2 8.84,3 3.766,4 14.183,5 101.179,6 7.201,7 0.593,8 3.943,9 4.07,10 3.473,11 3.446,12 5.085,13 3.432,14 4.439,15 4.616,16 3.804,17 3.812,18 5.528,19 3.77,20 4.609,21 4.814,22 3.861,23 3.927,24 5.606,25 3.869,26 4.69,27 4.887,28 3.899,29 3.985,30 5.775,31 3.91,32 4.791,33 5.008,34 3.773,35 4.035,36 5.731,37 3.928,38 4.826,39 5.057,40 3.805,41 4.054,42 5.7,43 3.935,44 4.862,45 5.101,46 3.835,47 3.998,48 5.809,49 3.899,50 4.805,51 5.055,52 3.679,53 3.86,54 5.807,55 3.747,56 0.038,57 0.687,58 10.145,59 4.099,60 11.661,61 5.504,62 0.269,63 1.037,64 18.189,65 7.18,66 27.956,67 9.56,68 0.135,69 1.206,70 21.797,71 8.046,72 20.559,73 11.396,74 0.327,75 1.277,76 23.797,77 9.154,78 40.782,79 12.666,80 0.309,81 1.358,82 27.065,83 9.789,84 38.499,85 13.606,86 0.177,87 1.377,88 27.973,89 10.968,90 29.252,91 15.37,92 0.388,93 1.39,94 29.997,95 10.097,96 42.152,97 14.487,98 0.462,99 1.299,100 28.83,101 8.815,102 51.273,103 13.08,104 23,105 37,106 0.262,107 0.648,108 0.812,109 0.87,110 0.877,111 0.877,112 3.268,113 0.92,114 -4.86,115 -4.76,116 -4.47,119 40.4,120 1,121 3,124 1,134 1,135 1,139 4,140 3,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 12,169 2,170 6,172 3,173 3,175 1,178 13,180 1,182 6,187 1,189 13,191 1,192 1,193 6,195 3,196 3,197 1,198 2,200 2,201 13,204 2,205 1,207 6,212 2,215 12,218 2,221 8,226 3,229 9,231 3,233 1,234 8,239 3,241 5,243 3,245 2,246 8,248 1,249 1,251 5,254 1,256 5,260 4,265 4,270 4,273 915,274 17.085,275 17.085,276 17.085,277 17.085,278 17.085,279 14.962,280 14.276,281 10.257,282 17.435,283 13.246,284 13.246,285 13.246,286 13.246,287 13.246,288 9.985,289 14.929,290 4.72,291 13.724,292 4.017,293 1.756,294 0.798,295 0.458,296 0.415,297 0.415,298 3.948,300 1,301 1,302 1,303 463,304 3.391,306 54.193,307 150.646,310 101.663,314 1.232,315 20.28,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54,327 221,328 4.654,329 3.254,330 6.79,331 4.184,332 3.205,333 4.623,334 0.86,335 11.154,336 3.144,337 4.354,338 3.145,339 6.494,340 3.97,341 2.99,342 3.967,344 10.15,345 2.93,346 3.761,347 2.559,348 5.398,349 3.308,350 2.364,351 3.217,353 6.923,354 2.234,355 3.508,356 2.343,357 5.137,358 3.084,359 2.129,360 2.847,362 6.095,363 2.024,364 3.397,365 2.065,366 5.063,367 2.921,368 1.979,369 2.739,371 5.784,372 1.863,373 2.978,374 1.749,375 4.718,376 2.621,377 1.65,378 2.14,380 4.788,381 1.598,382 2.917,383 1.69,384 4.03,385 2.476,386 1.514,387 2.084,389 3.397,390 1.451,391 2.646,392 1.442,393 3.607,394 2.436,395 1.438,396 1.676,398 2.93,399 1.431,400 2.407,401 1.08,402 3.589,403 2.012,404 1.014,405 1.349,407 2.256,408 1.011,409 2.254,410 0.938,411 3.363,412 1.8,413 0.819,414 1.151,415 2.04,416 0.802,417 1.656,418 0.855,419 2.843,420 1.366,421 0.481,422 0.543,423 0.733,424 0.42,425 1.408,426 0.291,427 2.691,428 1.208,429 0.221,430 0.251,431 0.396,432 0.218,433 1.114,434 -0.056,435 2.638,436 0.767,437 -0.181,438 -0.215,439 -0.418,440 -0.171,441 0.922,442 -0.253,443 2.287,444 0.531,445 -0.406,446 -0.529,448 -1.029,449 -0.379,450 0.774,451 -0.319,452 2.238,453 0.36,454 -0.572,455 -0.7,457 -1.241,458 -0.529,459 11.767,460 0.471,461 0.537,462 0.021,463 33,464 1.32,465 17,466 0.68,467 16,468 0.64,469 20.076,470 0.803,471 27.233,472 0.579,473 24.055,474 0.962,475 6.434,476 0.257,477 5.7,478 0.228,479 0.153,481 0.34,485 1,486 1.225,487 0.851,488 1.077,489 1.172,490 0.951,491 0.882,492 0.851,493 0.796,494 0.923,495 0.589,496 0.876,497 0.864,498 1.102,499 0.82,500 1.008,501 0.761,502 0.918,503 0.728,504 1.065,505 0.91,506 1.128,507 0.563,508 1.073,509 1.207,510 0.975,511 1.18,512 1.07,513 1.186,514 1.119,515 0.778,516 1.105,517 0.951,518 1.18,519 0.693,520 1.118,521 1.055,522 1.058,523 0.978,524 1.042,525 0.917,526 1.01,527 1.141,528 1.125,529 1.106,530 1.086,531 1.036,532 1.095,533 4.5,534 0.083,535 2.667,536 2.222,537 1.227,538 0.882,539 0.539,540 0.512,541 0.309,542 0.169,543 6266,544 16284,545 2.038,546 46.8,547 9,548 8,549 1,551 4,555 1.688,556 1.899,557 3.107,558 1.736,560 1,564 72.248,565 1.537,566 3.799,567 4.757,568 5.097,569 5.139,570 5.139,571 2.504,572 4.564,573 4.617,574 3.267,575 980.217,576 8.024,577 11794.8,579 1,581 1,582 261.066,583 1.44,584 4.569,585 0.167,586 0.012,587 0.072,588 0.057,589 0.031,590 0.026,591 0.015,592 0.015,593 0.011,594 0.011,595 0.417,597 1,598 1.272,599 118.706,600 -0.093,601 -0.012,602 0.032,603 0.003,604 -0.181,605 0.04,606 0.169,607 0.228,608 0.142,609 0.127,610 0.254,611 0.118,612 -0.021,613 -0.049,614 0.113,615 0.023,616 0.031,617 0.083,618 0.216,619 -0.031,620 0.028,621 -0.088,622 0.32,623 -0.071,624 -0.206,625 0.029,626 -0.227,627 -0.051,628 -0.268,629 -0.128,630 0.003,631 -0.16,632 -0.013,633 -0.127,634 -0.011,635 -0.083,636 0.024,637 -0.113,638 0.01,639 -0.054,640 -0.003,641 -0.027,642 0.024,643 -0.17,644 -0.096,645 -0.145,646 0.016,647 -0.145,648 1.564,649 2.028,650 0.6,651 19.104,652 1,653 1.131,654 3.626,655 13.146,656 0.655,657 3.332,658 3.638,659 3.932,660 4.234,661 4.394,662 4.477,663 4.554,664 4.635,665 4.644,666 4.595,667 5.515,668 0.622,669 338.45,670 3.332,671 4.86,672 5.714,673 6.6,674 7.476,675 8.372,676 9.256,677 10.157,678 11.045,679 11.947,680 8.5,684 2,690 2,694 2,695 5,696 2,698 1,700 5,702 16,711 2,716 1,718 47,719 17,720 1,721 27,723 49,724 19,725 12,726 2,727 4,728 2,729 3,730 4,734 1,739 3,741 14,742 5,744 1,749 1,751 1,754 1,756 1,757 22,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,795 1,796 1,802 2,806 2,810 25,811 2,816 3,818 1,829 4.3,834 2,836 13.167,837 8.9,838 5.722,839 2.86,840 3.657,841 1.52,842 0.984,843 5.364,844 10.696,845 3.611,846 4.245,847 4.899,848 5.55,849 6.063,850 6.425,851 6.84,852 7.269,853 7.546,854 7.867,855 0.833,856 39,857 9.175,859 3.778,860 7.693,861 17.527,863 13.929,865 2.193,866 54.833,869 1,870 211.88,871 112.44,872 99.365,874 20.507,877 112.44,878 232.387,879 99.365,880 19.708,881 7.604,882 124.915,883 37.978,884 37.88,885 15.998,886 200.109,888 211.88,889 211.806,890 20.507,893 211.88,894 20.507,897 22.735,898 146.023,899 43.047,901 211.88,902 119.873,903 112.44,906 211.88,907 33.611,908 78.829,910 119.873,911 211.88,912 119.873,913 112.44,915 0.566,916 0.341,917 0.2,918 0.107,919 17,920 8,921 0.122,922 6,923 1,924 1.133,925 3.58,926 207.529,927 0.133,928 15,929 114.096,933 17.459,934 7.68,935 3.676,936 1.073,937 119.873,938 9.614,939 8.14,941 5.522,943 3.154,945 65.794,946 444.193,947 36,952 2.065,954 1.151,956 47.014,957 53.149,958 0.277,959 0.684,960 0.856,961 0.918,962 0.925,963 0.925,964 4.828,965 1.438,966 5.694,967 3.397,968 4.317,969 4.931,970 0.908,971 6.526,972 4.254,973 6.05,974 1.014,975 7.262,976 2.93,977 3.892,978 4.796,980 7.489,981 3.794,982 7.371,983 0.819,984 8.936,985 2.256,986 5.916,987 7.22,988 0.739,989 10.625,990 5.805,991 8.736,992 0.481,993 10.673,994 2.04,995 6.347,996 7.959,998 12.451,999 6.212,1000 10.136,1001 0.221,1002 12.452,1003 0.733,1004 7.828,1005 9.839,1006 0.593,1007 15.098,1008 7.682,1009 11.562,1010 -0.181,1011 14.26,1012 0.396,1013 8.658,1014 10.991,1016 17.266,1017 8.493,1018 13.008,1019 -0.406,1020 16.089,1021 -0.418,1022 9.927,1023 12.651,1024 0.469,1025 19.747,1026 9.75,1027 3.205,1028 -0.572,1029 17.935,1030 -1.029,1031 10.937,1032 14,1034 22.049,1035 10.743,1036 2.99,1037 11.154,1038 19.792,1039 -1.241,1040 12.125,1041 15.571,1042 0.366,1043 24.472,1044 11.917,1045 2.364,1046 10.15,1047 21.659,1048 4.623,1049 13.212,1050 17.012,1052 26.828,1053 12.987,1054 2.129,1055 6.923,1056 23.533,1057 3.967,1058 14.372,1059 18.549,1060 0.283,1061 29.231,1062 14.13,1063 1.979,1064 6.095,1065 25.414,1066 3.217,1067 15.493,1068 20.032,1070 31.608,1071 15.233,1072 1.65,1073 5.784,1074 27.298,1075 2.847,1076 16.643,1077 21.557,1078 0.217,1079 34.005,1080 16.366,1081 1.514,1082 4.788,1083 29.187,1084 2.739,1085 17.779,1086 23.061,1088 36.393,1089 17.484,1090 6236,1091 10231,1092 17.8,1093 30.784,1094 39.881,1095 39.978,1096 41.768,1097 39.662,1098 39.609,1099 53.173,1100 1.72,1101 113.293,1102 38.254,1103 5.501,1104 5.254,1105 6.651,1106 5.256,1107 5.205,1108 7.623,1109 1.72,1110 18.104,1111 5.144,1112 12.787,1113 1.477,1114 1.481,1115 1.547,1116 1.469,1117 1.467,1118 1.969,1119 0.064,1120 4.196,1121 1.417,1122 4.102,1123 4.12,1124 4.081,1125 3.985,1126 5.365,1127 4.001,1128 3.921,1129 3.945,1130 3.871,1131 3.828,1132 4.987,1133 3.838,1134 3.666,1135 3.73,1136 3.518,1137 3.546,1138 4.953,1139 3.53,1140 3.445,1141 3.51,1142 3.351,1143 3.279,1144 4.863,1145 3.282,1146 3.258,1147 3.323,1148 3.129,1149 3.038,1150 4.401,1151 3.06,1152 3.249,1153 3.314,1154 3.062,1155 2.966,1156 4.256,1157 2.976,1158 3.079,1159 3.197,1160 2.957,1161 2.731,1162 4.135,1163 2.778,1164 2.902,1165 2.993,1166 2.662,1167 2.719,1168 4.037,1169 2.696,1170 0.172,1171 0.121,1172 0.251,1173 0.155,1174 0.119,1175 4.654,1176 0.171,1177 3.254,1178 0.032,1179 6.79,1180 0.413,1181 4.184,1182 0.116,1183 3.205,1184 4.623,1185 0.86,1186 11.154,1187 3.144,1188 1.953,1189 1.933,1190 2.063,1191 2.039,1192 1.321,1193 2.044,1194 1.801,1195 1.771,1196 1.937,1197 1.975,1198 1.101,1199 1.938,1200 1.687,1201 1.629,1202 1.845,1203 1.851,1204 0.956,1205 1.883,1206 1.477,1207 1.439,1208 1.657,1209 1.669,1210 0.773,1211 1.664,1212 1.217,1213 1.164,1214 1.573,1215 1.513,1216 0.574,1217 1.532,1218 1.196,1219 1.123,1220 1.475,1221 1.457,1222 0.488,1223 1.468,1224 0.958,1225 0.886,1226 1.254,1227 1.356,1228 0.284,1229 1.331,1230 0.926,1231 0.832,1232 1.202,1233 1.247,1234 0.171,1235 1.245,1236 4.007,1238 5.313,1239 2.398,1240 6.823,1241 4.727,1242 8.436,1243 6.843,1244 10.105,1246 3.847,1250 11.664,1252 3.082,1254 5.522,1262 29.256,1263 72.248,1264 178.536,1265 223.556,1266 239.556,1267 241.556,1268 241.556,1269 37.704,1270 7.039,1271 100.19,1272 100.19,1273 17,1274 12.47,1275 4.17,1276 3.322,1277 41.417,1278 81,1279 81,1280 0.25,1281 182.595,1282 307.94,1283 437.292,1284 9562,1286 17.811,1287 0.712,1288 0.578,1289 17.811,1290 14.451,1291 12.135,1292 0.449,1293 0.307,1294 8.157,1295 11.658,1296 7.921,1297 6.674,1298 12.135,1299 8.278,1300 10.483,1301 0.283,1302 0.157,1303 10.483,1304 5.812,1305 8.765,1306 0.175,1307 0.082,1308 8.765,1309 4.09,1310 7.808,1311 0.115,1312 0.042,1313 7.808,1314 2.864,1315 5.876,1316 0.073,1317 0.023,1318 5.876,1319 1.876,1320 0.38,1321 76.225,1322 0.237,1323 23.797,1324 0.723,1325 128,1326 369.386,1327 140.915,1328 357.953,1329 498.62,1330 336,1331 151,1332 379.233,1333 163.639,1334 385.511,1335 564.36,1336 361,1337 4.524}
{0 CHEMBL605413,1 1.542,2 8.75,3 3.56,4 12.672,5 95.728,6 7.097,7 0.615,8 3.924,9 4.053,10 3.442,11 3.414,12 5.046,13 3.399,14 4.439,15 4.618,16 3.783,17 3.798,18 5.498,19 3.753,20 4.636,21 4.845,22 3.847,23 3.937,24 5.578,25 3.871,26 4.769,27 4.974,28 3.894,29 4.02,30 5.781,31 3.932,32 4.887,33 5.117,34 3.751,35 4.066,36 5.784,37 3.943,38 4.903,39 5.165,40 3.743,41 4.038,42 5.734,43 3.898,44 4.829,45 5.086,46 3.708,47 3.895,48 5.763,49 3.784,50 4.671,51 4.941,52 3.504,53 3.664,54 5.686,55 3.548,56 0.038,57 0.677,58 10.203,59 4.025,60 11.851,61 5.506,62 0.27,63 1.032,64 18.444,65 7.189,66 28.738,67 9.68,68 0.135,69 1.227,70 22.642,71 8.281,72 21.369,73 11.905,74 0.373,75 1.338,76 26.358,77 9.838,78 44.171,79 13.758,80 0.385,81 1.437,82 30.522,83 10.41,84 46.997,85 14.844,86 0.246,87 1.407,88 31.31,89 11.308,90 36.449,91 16.454,92 0.43,93 1.283,94 29.74,95 9.28,96 46.06,97 13.78,98 0.44,99 1.099,100 25.672,101 7.107,102 49.952,103 11.191,104 22,105 36,106 0.265,107 0.638,108 0.811,109 0.871,110 0.878,111 0.878,112 3.229,113 0.93,114 -4.7,115 -4.62,116 -4.34,119 39.1,120 1,121 3,122 1,124 1,139 4,140 3,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 11,169 2,170 6,172 3,173 3,175 1,178 12,180 1,182 6,187 1,189 12,191 1,192 1,193 6,195 3,196 3,197 1,198 2,200 2,201 12,204 2,205 1,207 6,212 2,215 10,218 2,221 8,226 3,229 7,231 3,233 1,234 7,239 3,241 2,243 3,245 2,246 7,248 1,249 1,251 5,256 5,260 2,265 3,270 3,273 770,274 16.378,275 16.378,276 16.378,277 16.378,278 16.378,279 14.424,280 16.074,281 9.732,282 16.728,283 12.746,284 12.746,285 12.746,286 12.746,287 12.746,288 9.778,289 16.969,290 4.425,291 13.224,292 3.982,293 1.82,294 0.815,295 0.468,296 0.424,297 0.424,298 3.908,300 1,301 1,302 1,303 442,304 3.24,306 50.911,307 141.947,310 95.604,314 1.208,315 20.437,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52,327 210,328 4.642,329 3.343,330 6.79,331 4.184,332 3.205,333 4.609,334 0.86,335 11.154,336 3.144,337 4.289,338 3.199,339 6.494,340 3.969,341 2.989,342 3.862,344 10.149,345 2.929,346 3.716,347 2.58,348 5.398,349 3.307,350 2.364,351 3.158,353 6.922,354 2.232,355 3.413,356 2.346,357 5.136,358 3.076,359 2.122,360 2.791,362 6.087,363 2.015,364 3.325,365 2.066,366 5.063,367 2.921,368 1.979,369 2.48,371 5.784,372 1.863,373 2.976,374 1.868,375 4.718,376 2.605,377 1.637,378 2.138,380 4.783,381 1.58,382 2.917,383 1.644,384 4.015,385 2.463,386 1.497,387 2.084,389 3.334,390 1.437,391 2.554,392 1.311,393 3.6,394 2.274,395 1.276,396 1.567,398 2.819,399 1.273,400 2.289,401 0.942,402 3.588,403 1.872,404 0.881,405 1.203,407 2.095,408 0.872,409 1.959,410 0.897,411 3.125,412 1.756,413 0.772,414 0.909,415 1.532,416 0.758,417 1.616,418 0.787,419 2.805,420 1.342,421 0.462,422 0.519,423 0.713,424 0.402,425 1.163,426 0.155,427 2.678,428 0.872,429 -0.089,430 -0.103,431 -0.208,432 -0.085,433 0.961,434 -0.201,435 2.541,436 0.567,437 -0.376,438 -0.475,439 -0.835,440 -0.352,441 0.738,442 -0.279,443 2.245,444 0.449,445 -0.513,446 -0.585,448 -1.032,449 -0.489,450 0.623,451 -0.398,452 2,453 0.352,454 -0.575,455 -0.68,457 -1.311,458 -0.533,459 11.267,460 0.469,461 0.537,462 0.022,463 31,464 1.292,465 15.5,466 0.646,467 15.5,468 0.646,469 20.064,470 0.836,471 26.533,472 0.577,473 21.731,474 0.905,475 5.927,476 0.247,477 5.708,478 0.238,479 0.16,481 0.355,485 0.999,486 1.262,487 0.862,488 1.109,489 1.158,490 0.975,491 0.865,492 0.881,493 0.811,494 0.959,495 0.576,496 0.907,497 0.828,498 1.148,499 0.857,500 1.075,501 0.752,502 0.982,503 0.815,504 1.082,505 0.976,506 1.165,507 0.644,508 1.123,509 1.274,510 0.981,511 1.245,512 1.091,513 1.237,514 1.158,515 0.759,516 1.019,517 0.908,518 1.086,519 0.691,520 1.038,521 1.099,522 1.02,523 0.977,524 0.985,525 0.987,526 0.97,527 1.06,528 1.099,529 1.037,530 1.005,531 1.034,532 1.014,533 4.5,534 0.054,535 2.667,536 2.222,537 1.227,538 0.882,539 0.539,540 0.465,541 0.233,542 0.159,543 5623,544 14636,545 2.04,546 47.8,547 10,548 7,549 1,551 4,555 1.675,556 1.895,557 3.1,558 1.777,560 1,564 70.918,565 1.542,566 3.704,567 4.708,568 5.056,569 5.099,570 5.099,571 2.492,572 4.252,573 4.56,574 3.239,575 893.917,576 7.9,577 10341.4,579 1,581 1,582 254.084,583 1.459,584 4.507,585 0.173,586 0.009,587 0.074,588 0.058,589 0.032,590 0.028,591 0.017,592 0.016,593 0.01,594 0.012,595 0.429,597 1,598 1.112,599 112.182,600 -0.092,601 -0.021,602 0.035,604 -0.159,605 0.04,606 0.165,607 0.216,608 0.131,609 0.111,610 0.257,611 0.103,612 -0.02,613 -0.086,614 0.073,615 -0.025,616 0.011,617 0.033,618 0.163,619 -0.059,620 -0.028,621 -0.117,622 0.226,623 -0.114,624 -0.234,625 0.012,626 -0.279,627 -0.085,628 -0.294,629 -0.173,630 0.014,631 -0.106,632 0.046,633 -0.062,634 0.02,635 -0.012,636 0.01,637 -0.099,638 0.025,639 -0.02,640 -0.023,641 0.002,642 0.067,643 -0.154,644 -0.02,645 -0.097,646 0.084,647 -0.08,648 1.546,649 2.04,650 0.625,651 17.417,652 1,653 1.134,654 3.471,655 12.047,656 0.647,657 3.296,658 3.611,659 3.912,660 4.22,661 4.369,662 4.443,663 4.5,664 4.575,665 4.575,666 4.522,667 5.353,668 0.614,669 326.44,670 3.296,671 4.828,672 5.687,673 6.578,674 7.456,675 8.355,676 9.241,677 10.142,678 11.031,679 11.934,680 8.7,684 2,690 2,694 2,695 5,696 2,698 1,700 5,702 16,711 2,716 1,718 46,719 16,720 1,721 26,723 48,724 18,725 12,726 2,727 4,729 3,730 4,734 1,739 3,741 12,742 6,743 1,753 1,754 1,756 1,757 22,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,806 2,810 24,811 2,816 3,818 1,820 1,829 4.3,834 2,836 12.667,837 8.65,838 5.472,839 2.797,840 3.052,841 1.437,842 0.976,843 5.023,844 10.039,845 3.555,846 4.186,847 4.821,848 5.449,849 5.914,850 6.192,851 6.509,852 6.857,853 6.975,854 7.155,855 0.833,856 38,857 8.823,859 3.662,860 7.688,861 16.911,863 13.652,865 2.188,866 52.5,869 1,870 211.88,871 99.778,872 99.365,874 20.507,877 99.778,878 232.387,879 99.365,880 19.708,881 7.604,882 115.439,883 37.978,884 34.695,885 15.998,886 200.109,888 211.88,889 199.144,890 20.507,893 211.88,894 20.507,897 22.735,898 142.837,899 33.571,901 211.88,902 119.873,903 99.778,906 211.88,907 30.426,908 69.353,910 119.873,911 211.88,912 119.873,913 99.778,915 0.569,916 0.347,917 0.208,918 0.109,919 17,920 8,921 0.125,922 6,923 1,924 1.133,925 3.486,926 197.25,927 0.133,928 15,929 110.039,933 16.743,934 7.199,935 3.401,936 1.186,937 119.873,938 9.815,939 8.166,941 5.54,943 3.558,945 65.794,946 431.531,947 34,956 46.014,957 52.149,958 0.279,959 0.671,960 0.852,961 0.915,962 0.923,963 0.923,964 4.779,965 1.276,966 5.673,967 3.334,968 4.29,969 4.871,970 0.908,971 6.515,972 4.225,973 5.994,974 0.881,975 7.248,976 2.819,977 3.892,978 4.745,980 7.489,981 3.794,982 7.313,983 0.772,984 8.926,985 2.095,986 5.9,987 7.147,988 0.739,989 10.623,990 5.786,991 8.673,992 0.462,993 10.667,994 1.532,995 6.347,996 7.892,998 12.451,999 6.212,1000 10.069,1001 -0.089,1002 12.448,1003 0.713,1004 7.82,1005 9.762,1006 0.593,1007 15.097,1008 7.673,1009 11.491,1010 -0.376,1011 14.258,1012 -0.208,1013 8.658,1014 10.919,1016 17.266,1017 8.493,1018 12.934,1019 -0.513,1020 16.088,1021 -0.835,1022 9.924,1023 12.575,1024 0.469,1025 19.747,1026 9.746,1027 3.205,1028 -0.575,1029 17.934,1030 -1.032,1031 10.936,1032 13.926,1034 22.049,1035 10.742,1036 2.989,1037 11.154,1038 19.791,1039 -1.311,1040 12.123,1041 15.497,1042 0.366,1043 24.472,1044 11.914,1045 2.364,1046 10.149,1047 21.659,1048 4.609,1049 13.212,1050 16.938,1052 26.827,1053 12.986,1054 2.122,1055 6.922,1056 23.533,1057 3.862,1058 14.37,1059 18.475,1060 0.283,1061 29.23,1062 14.128,1063 1.979,1064 6.087,1065 25.413,1066 3.158,1067 15.492,1068 19.958,1070 31.608,1071 15.232,1072 1.637,1073 5.784,1074 27.298,1075 2.791,1076 16.642,1077 21.484,1078 0.217,1079 34.005,1080 16.365,1081 1.497,1082 4.783,1083 29.187,1084 2.48,1085 17.778,1086 22.987,1088 36.393,1089 17.483,1090 5586,1091 9163,1092 17.107,1093 29.784,1094 38.622,1095 38.694,1096 40.537,1097 38.385,1098 38.365,1099 50.642,1100 1.72,1101 110.74,1102 37.012,1103 5.501,1104 5.343,1105 6.553,1106 5.256,1107 5.205,1108 7.609,1109 1.72,1110 18.104,1111 5.144,1112 12.347,1113 1.485,1114 1.488,1115 1.559,1116 1.476,1117 1.476,1118 1.948,1119 0.066,1120 4.259,1121 1.424,1122 4.1,1123 4.122,1124 4.075,1125 3.975,1126 5.362,1127 3.991,1128 3.928,1129 3.953,1130 3.872,1131 3.836,1132 4.984,1133 3.845,1134 3.624,1135 3.689,1136 3.476,1137 3.498,1138 4.946,1139 3.482,1140 3.422,1141 3.495,1142 3.322,1143 3.214,1144 4.856,1145 3.226,1146 3.249,1147 3.315,1148 3.064,1149 2.994,1150 4.389,1151 3.002,1152 3.195,1153 3.264,1154 3.031,1155 2.959,1156 4.166,1157 2.968,1158 3.078,1159 3.197,1160 2.947,1161 2.728,1162 4.128,1163 2.777,1164 2.794,1165 2.87,1166 2.617,1167 2.657,1168 3.871,1169 2.635,1170 0.179,1171 0.129,1172 0.261,1173 0.161,1174 0.123,1175 4.642,1176 0.177,1177 3.343,1178 0.033,1179 6.79,1180 0.429,1181 4.184,1182 0.121,1183 3.205,1184 4.609,1185 0.86,1186 11.154,1187 3.144,1188 1.954,1189 1.929,1190 2.083,1191 2.05,1192 1.401,1193 2.059,1194 1.808,1195 1.777,1196 1.904,1197 1.979,1198 1.058,1199 1.943,1200 1.648,1201 1.591,1202 1.849,1203 1.817,1204 1.009,1205 1.845,1206 1.452,1207 1.407,1208 1.654,1209 1.669,1210 0.737,1211 1.67,1212 1.198,1213 1.126,1214 1.573,1215 1.513,1216 0.574,1217 1.533,1218 1.148,1219 1.089,1220 1.407,1221 1.406,1222 0.479,1223 1.407,1224 0.958,1225 0.88,1226 1.248,1227 1.356,1228 0.247,1229 1.328,1230 0.857,1231 0.759,1232 1.172,1233 1.205,1234 0.166,1235 1.213,1236 3.97,1238 5.283,1239 2.398,1240 6.801,1241 4.727,1242 8.421,1243 6.843,1244 10.094,1246 3.873,1250 11.664,1252 2.874,1254 5.529,1256 0.295,1262 28.256,1263 70.918,1264 170.368,1265 216.574,1266 232.574,1267 234.574,1268 234.574,1269 37.446,1270 6.987,1271 100.19,1272 100.19,1273 17,1274 12.456,1275 4.087,1276 3.17,1277 38.992,1278 77,1279 74,1280 0.253,1281 175.93,1282 293.28,1283 421.03,1284 9025,1286 17.104,1287 0.713,1288 0.581,1289 17.104,1290 13.951,1291 11.635,1292 0.447,1293 0.31,1294 7.935,1295 11.158,1296 7.706,1297 6.473,1298 11.635,1299 8.056,1300 10.13,1301 0.281,1302 0.162,1303 10.13,1304 5.84,1305 8.496,1306 0.173,1307 0.086,1308 8.496,1309 4.237,1310 7.712,1311 0.115,1312 0.047,1313 7.712,1314 3.182,1315 5.711,1316 0.073,1317 0.027,1318 5.711,1319 2.068,1320 0.384,1321 73.225,1322 0.242,1323 22.942,1324 0.732,1325 124,1326 353.386,1327 136.915,1328 340.927,1329 473.63,1330 320,1331 147,1332 359.233,1333 159.639,1334 364.315,1335 533.17,1336 341,1337 4.511}
{0 CHEMBL605782,1 1.54,2 9.261,3 3.748,4 14.049,5 98.429,6 7.75,7 0.615,8 3.852,9 3.986,10 3.507,11 3.46,12 4.924,13 3.405,14 4.372,15 4.547,16 3.935,17 3.9,18 5.405,19 3.806,20 4.605,21 4.808,22 4.026,23 4.043,24 5.537,25 3.911,26 4.624,27 4.837,28 3.943,29 3.993,30 5.602,31 3.83,32 4.55,33 4.79,34 3.683,35 3.855,36 5.484,37 3.696,38 4.452,39 4.692,40 3.554,41 3.737,42 5.378,43 3.579,44 4.346,45 4.597,46 3.353,47 3.593,48 5.255,49 3.458,50 4.257,51 4.508,52 3.256,53 3.486,54 5.114,55 3.367,56 0.056,57 0.685,58 9.179,59 3.73,60 9.529,61 4.882,62 0.179,63 1.11,64 17.241,65 7.366,66 20.365,67 9.529,68 0.17,69 1.355,70 25.841,71 9.198,72 18.091,73 11.688,74 0.263,75 1.362,76 29.427,77 10.249,78 28.92,79 12.99,80 0.218,81 1.212,82 26.026,83 8.528,84 28.272,85 10.893,86 0.164,87 1.082,88 23.766,89 7.932,90 25.022,91 10.375,92 0.165,93 0.956,94 20.786,95 6.751,96 23.431,97 8.985,98 0.101,99 0.854,100 15.349,101 5.675,102 14.4,103 8.259,104 10,105 38,106 0.269,107 0.646,108 0.777,109 0.822,110 0.83,111 0.855,112 3.189,113 0.997,114 -5.5,115 -5.38,116 -5.02,119 40.5,120 1,121 4,139 3,140 3,141 2,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 9,169 1,170 2,172 3,173 4,175 3,178 15,180 1,187 1,189 14,193 3,195 1,196 2,197 3,198 2,200 4,201 8,204 2,205 1,207 1,212 3,215 7,218 1,221 4,226 6,229 5,231 4,234 4,239 4,241 4,243 2,246 4,251 6,254 3,256 4,260 4,265 5,268 1,270 4,273 662,274 15.533,275 15.533,276 15.533,277 15.533,278 15.533,279 13.529,280 16.681,281 8.991,282 15.939,283 12.86,284 12.86,285 12.86,286 12.86,287 12.86,288 9.761,289 14.149,290 4.302,291 13.573,292 3.853,293 1.695,294 0.941,295 0.685,296 0.637,297 0.494,298 3.887,300 1,301 1,302 1,303 473,304 2.345,306 42.799,307 158.703,310 81.646,311 88.673,314 1.251,315 15.313,317 1,318 0.75,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.86,326 48.5,327 213,328 4.707,329 4.594,330 6.909,331 4.219,332 3.272,333 4.68,334 2.95,335 11.586,336 3.096,337 4.275,338 3.402,339 6.184,340 3.908,341 2.918,342 3.916,344 9.231,345 2.891,346 3.852,347 3.044,348 5.714,349 3.409,350 2.499,351 3.328,353 7.618,354 2.269,355 3.545,356 2.768,357 5.233,358 3.141,359 2.213,360 2.884,362 6.508,363 2.036,364 3.426,365 2.235,366 5.118,367 2.956,368 2.03,369 2.784,371 5.99,372 1.877,373 3.194,374 2.13,375 4.932,376 2.724,377 1.788,378 2.459,380 5.402,381 1.665,382 2.923,383 1.91,384 4.417,385 2.618,386 1.618,387 2.061,389 4.368,390 1.618,391 2.556,392 1.799,393 4.214,394 2.405,395 1.418,396 1.569,398 3.443,399 1.396,400 2.46,401 1.47,402 3.617,403 2.111,404 1.2,405 1.457,407 2.982,408 1.079,409 1.918,410 0.961,411 3.213,412 1.687,413 0.697,414 0.827,415 1.622,416 0.688,417 1.352,418 0.619,419 3.058,420 1.004,421 0.121,422 0.143,423 0.338,424 0.104,425 1.14,426 0.414,427 2.729,428 0.668,429 -0.245,430 -0.327,431 -0.661,432 -0.223,433 0.878,434 -0.112,435 2.507,436 0.542,437 -0.407,438 -0.485,439 -1.024,440 -0.376,441 0.687,442 -0.333,443 2.35,444 0.382,445 -0.584,446 -0.675,448 -1.359,449 -0.532,450 0.646,451 -0.44,452 2.215,453 0.329,454 -0.618,455 -0.729,457 -1.597,458 -0.618,459 11.333,460 0.493,461 0.644,462 0.028,463 30.5,464 1.326,465 15.5,466 0.674,467 15,468 0.652,469 19.429,470 0.845,471 24.067,472 0.573,473 19.08,474 0.83,475 5.44,476 0.237,477 5.674,478 0.247,479 0.115,481 0.397,485 1.161,486 1.052,487 0.785,488 0.792,489 1.267,490 0.809,491 0.376,492 0.855,493 0.722,494 0.863,495 0.306,496 0.864,497 1.028,498 1.07,499 1.095,500 1.059,501 0.817,502 0.973,503 0.422,504 1.165,505 1.276,506 1.425,507 0.499,508 1.192,509 1.318,510 0.987,511 1.3,512 1.102,513 1.229,514 1.049,515 0.983,516 1.144,517 1.228,518 1.231,519 0.911,520 1.112,521 1.168,522 1.037,523 1.17,524 1.084,525 1.185,526 1.009,527 0.883,528 1.135,529 0.701,530 0.919,531 0.82,532 1.051,533 5,534 0.074,535 2.444,536 2.229,537 1.56,538 0.778,539 0.358,540 0.373,541 0.235,542 0.096,543 5689,544 13122,545 2.141,546 45.2,547 8,548 3,551 5,552 3,555 1.658,556 2,557 3.173,558 2.675,560 1,564 64.67,565 1.54,566 3.698,567 4.452,568 4.708,569 4.755,570 4.898,571 2.616,572 4.176,573 4.498,574 3.287,575 831.502,576 7.747,577 9156.85,578 1,579 1,581 1,582 226.477,583 1.422,584 4.454,585 0.192,586 0.011,587 0.064,588 0.059,589 0.047,590 0.029,591 0.015,592 0.017,593 0.012,594 0.007,595 0.452,596 0.17,597 0.88,598 0.58,599 106.15,600 -0.185,601 0.106,602 0.047,603 0.153,604 -0.223,605 0.115,606 0.44,607 0.21,608 0.194,609 0.144,610 0.395,611 0.115,612 -0.092,613 -0.012,614 0.035,615 0.048,616 -0.052,617 0.018,618 0.403,619 -0.144,620 -0.032,621 -0.235,622 0.32,623 -0.163,624 -0.26,625 0.037,626 -0.17,627 -0.035,628 -0.187,629 -0.071,630 -0.074,631 -0.162,632 -0.127,633 -0.162,634 -0.01,635 -0.111,636 -0.163,637 -0.061,638 -0.165,639 -0.097,640 -0.149,641 -0.033,642 -0.014,643 -0.224,644 -0.014,645 -0.117,646 0.011,647 -0.096,648 1.471,649 2.071,650 0.826,651 16.121,652 0.995,653 1.127,654 4.273,655 18.261,656 0.691,657 3.296,658 3.664,659 3.97,660 4.304,661 4.533,662 4.595,663 4.682,664 4.844,665 4.913,666 4.883,667 5.366,668 0.642,669 325.48,670 3.296,671 4.86,672 5.733,673 6.64,674 7.53,675 8.44,676 9.336,677 10.248,678 11.148,679 12.06,680 11.9,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,718 42,719 16,720 1,721 26,723 45,724 17,725 12,726 3,727 3,729 4,730 6,734 1,736 4,739 4,741 12,742 5,754 1,757 19,758 4,759 5,760 6,761 1,764 5,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,803 1,804 1,806 1,810 23,811 2,816 4,819 1,836 11.5,837 7.733,838 4.889,839 2.582,840 3.24,841 1.434,842 1.059,843 3.7,844 10.704,845 3.555,846 4.245,847 4.888,848 5.549,849 6.085,850 6.41,851 6.769,852 7.204,853 7.434,854 7.666,855 1,856 38,857 8.48,859 3.662,860 7.558,861 16.591,863 14.191,865 2.058,866 47.333,869 1,870 164.795,871 100.356,872 116.151,876 32.22,877 68.137,878 164.795,879 116.151,880 8.825,881 10.138,882 94.223,883 35.286,884 28.831,885 6.984,886 197.015,888 164.795,889 184.288,891 32.22,893 164.795,897 39.363,898 111.353,899 33.571,900 32.22,901 164.795,902 116.151,903 100.356,906 164.795,907 63.102,908 37.254,909 16.786,910 99.365,911 164.795,912 116.151,913 100.356,915 0.593,916 0.351,917 0.203,918 0.112,919 21,920 9,921 0.044,922 2,923 2,924 1.211,925 3.51,926 194.936,927 0.211,928 19,929 104.042,930 1,933 14.851,934 5.73,935 2.682,936 1.562,937 99.365,938 6.77,939 8.346,940 3.259,943 6.937,945 82.58,946 381.303,947 34,956 41.771,957 47.318,958 0.286,959 0.686,960 0.826,961 0.873,962 0.882,963 0.908,964 4.812,965 1.418,966 5.74,967 4.368,968 4.344,969 4.931,970 2.913,971 6.592,972 4.239,973 6.052,974 1.2,975 7.321,976 3.443,977 4.007,978 4.913,980 7.538,981 3.848,982 7.39,983 0.697,984 8.999,985 2.982,986 5.974,987 7.244,988 5.027,989 10.68,990 5.776,991 8.763,992 0.121,993 10.735,994 1.622,995 6.431,996 8.04,998 12.482,999 6.185,1000 10.17,1001 -0.245,1002 12.509,1003 0.338,1004 7.901,1005 9.88,1006 7.185,1007 15.15,1008 7.622,1009 11.599,1010 -0.407,1011 14.31,1012 -0.661,1013 8.74,1014 11.066,1016 17.328,1017 8.415,1018 13.049,1019 -0.584,1020 16.133,1021 -1.024,1022 10.012,1023 12.713,1024 9.348,1025 19.836,1026 9.653,1027 3.272,1028 -0.618,1029 17.973,1030 -1.359,1031 11.031,1032 14.086,1034 22.171,1035 10.623,1036 2.918,1037 11.586,1038 19.827,1039 -1.597,1040 12.229,1041 15.658,1042 11.511,1043 24.63,1044 11.782,1045 2.499,1046 9.231,1047 21.693,1048 4.68,1049 13.329,1050 17.118,1052 27.029,1053 12.832,1054 2.213,1055 7.618,1056 23.569,1057 3.916,1058 14.503,1059 18.663,1060 13.675,1061 29.474,1062 13.96,1063 2.03,1064 6.508,1065 25.453,1066 3.328,1067 15.64,1068 20.164,1070 31.9,1071 15.045,1072 1.788,1073 5.99,1074 27.344,1075 2.884,1076 16.808,1077 21.701,1078 15.838,1079 34.343,1080 16.162,1081 1.618,1082 5.402,1083 29.241,1084 2.784,1085 17.963,1086 23.221,1088 36.78,1089 17.263,1090 5347,1091 8293,1092 17.512,1093 29.006,1094 39.645,1095 42.622,1096 40.908,1097 39.551,1098 39.547,1099 52.215,1100 5.9,1101 118.174,1102 37.437,1103 5.651,1104 6.594,1105 6.596,1106 5.369,1107 5.272,1108 7.68,1109 5.9,1110 18.634,1111 5.096,1112 10.129,1113 1.525,1114 1.639,1115 1.573,1116 1.521,1117 1.521,1118 2.008,1119 0.227,1120 4.545,1121 1.44,1122 4.115,1123 4.155,1124 4.197,1125 4.033,1126 5.318,1127 4.023,1128 3.978,1129 4.011,1130 3.932,1131 3.901,1132 4.981,1133 3.904,1134 3.525,1135 3.581,1136 3.594,1137 3.44,1138 4.769,1139 3.406,1140 3.455,1141 3.533,1142 3.352,1143 3.243,1144 4.682,1145 3.262,1146 3.127,1147 3.222,1148 3.106,1149 3.004,1150 4.134,1151 2.976,1152 3.1,1153 3.201,1154 2.952,1155 2.858,1156 4.044,1157 2.846,1158 2.966,1159 3.085,1160 2.889,1161 2.72,1162 3.759,1163 2.688,1164 2.802,1165 2.851,1166 2.739,1167 2.673,1168 3.71,1169 2.683,1170 0.181,1171 0.177,1172 0.266,1173 0.162,1174 0.126,1175 4.707,1176 0.18,1177 4.594,1178 0.113,1179 6.909,1180 0.446,1181 4.219,1182 0.119,1183 3.272,1184 4.68,1185 2.95,1186 11.586,1187 3.096,1188 1.995,1189 1.971,1190 2.123,1191 2.069,1192 1.435,1193 2.092,1194 1.807,1195 1.771,1196 1.833,1197 2.001,1198 1.018,1199 1.959,1200 1.611,1201 1.561,1202 1.777,1203 1.776,1204 0.9,1205 1.789,1206 1.506,1207 1.449,1208 1.723,1209 1.65,1210 0.832,1211 1.683,1212 1.159,1213 1.088,1214 1.474,1215 1.383,1216 0.764,1217 1.397,1218 1.029,1219 0.944,1220 1.282,1221 1.349,1222 0.336,1223 1.367,1224 0.913,1225 0.797,1226 1.21,1227 1.283,1228 0.221,1229 1.279,1230 0.82,1231 0.756,1232 1.102,1233 1.028,1234 0.119,1235 1.077,1236 3.97,1238 5.323,1239 2.398,1240 6.872,1241 4.844,1242 8.515,1243 7.034,1244 10.206,1246 2.026,1250 11.755,1252 4.967,1255 1.711,1262 26.982,1263 64.67,1264 155.304,1265 186.968,1266 197.722,1267 199.722,1268 205.722,1269 27.541,1270 7.463,1271 93.61,1272 118.91,1273 23,1274 12.576,1275 4.087,1276 3.17,1277 31.847,1278 74,1279 69,1280 0.214,1281 168.877,1282 275.55,1283 403.821,1284 17351,1286 15.974,1287 0.695,1288 0.601,1289 16.328,1290 13.834,1291 11.114,1292 0.427,1293 0.332,1294 7.831,1295 10.394,1296 7.547,1297 6.253,1298 11.522,1299 8.642,1300 10.488,1301 0.276,1302 0.187,1303 11.13,1304 7.093,1305 8.834,1306 0.17,1307 0.107,1308 9.66,1309 5.572,1310 8.042,1311 0.11,1312 0.059,1313 8.963,1314 4.331,1315 6.475,1316 0.07,1317 0.036,1318 7.45,1319 3.277,1320 0.329,1321 72.57,1322 0.239,1323 22.243,1324 0.608,1325 128,1326 303.108,1327 162.115,1328 327.99,1329 466.99,1330 308,1331 154,1332 349.32,1333 185.489,1334 373.442,1335 552.29,1336 353,1337 4.51}
{0 CHEMBL60582,1 1.416,2 8.65,3 2.286,4 5.225,5 84.459,6 6.907,7 0.545,8 3.76,9 3.911,10 3.264,11 3.269,12 4.835,13 3.241,14 4.283,15 4.489,16 3.616,17 3.678,18 5.293,19 3.618,20 4.514,21 4.731,22 3.65,23 3.849,24 5.44,25 3.751,26 4.632,27 4.896,28 3.466,29 3.829,30 5.531,31 3.676,32 4.546,33 4.829,34 3.257,35 3.682,36 5.36,37 3.502,38 4.375,39 4.688,40 3.115,41 3.43,42 5.177,43 3.276,44 4.073,45 4.339,46 3.052,47 3.245,48 4.947,49 3.127,50 4.043,51 4.329,52 2.97,53 3.122,54 4.983,55 3.01,56 0.052,57 0.625,58 8.899,59 3.111,60 9.8,61 4.728,62 0.205,63 0.967,64 15.825,65 5.676,66 20.619,67 8.395,68 0.132,69 1.157,70 19.99,71 7.105,72 17.856,73 10.801,74 0.241,75 1.165,76 23.394,77 8.119,78 34.258,79 12.355,80 0.146,81 1.008,82 21.604,83 7.682,84 27.162,85 11.785,86 0.181,87 0.82,88 18.779,89 5.681,90 24.886,91 9.193,92 0.087,93 0.669,94 13.299,95 4.289,96 13.553,97 6.825,98 0.211,99 0.634,100 13.341,101 3.649,102 19.852,103 5.979,104 10,105 31,106 0.255,107 0.64,108 0.834,109 0.874,110 0.874,111 0.874,112 3.058,113 0.931,114 -4.01,115 -3.96,116 -3.75,119 38.5,121 3,124 1,125 1,139 3,140 3,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 5,172 3,173 3,175 1,178 9,180 1,182 5,187 1,189 9,191 1,193 3,195 1,196 1,197 1,198 2,200 2,201 6,204 2,205 1,207 5,212 3,215 3,218 3,221 5,226 3,229 1,231 3,234 2,239 3,243 3,245 2,246 2,248 1,249 1,251 3,256 3,265 1,270 1,273 452,274 13.378,275 13.378,276 13.378,277 13.378,278 13.378,279 11.85,280 21.673,281 7.797,282 13.665,283 10.849,284 10.849,285 10.849,286 10.849,287 10.849,288 8.539,289 30.646,290 3.71,291 11.313,292 3.87,293 1.732,294 0.654,295 0.43,296 0.43,297 0.43,298 3.738,300 1,301 1,302 1,303 373,304 2.121,307 155.479,311 81.201,314 1.285,315 12.973,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 42.5,327 173,328 4.359,329 3.272,330 6.471,331 4.02,332 3.047,333 3.984,334 0.8,335 10.036,336 2.97,337 4.225,338 3.081,339 6.091,340 3.823,341 2.865,342 3.858,343 0.68,344 8.856,345 2.751,346 3.661,347 2.594,348 5.362,349 3.329,350 2.368,351 2.982,353 6.923,354 2.273,355 3.398,356 2.283,357 4.979,358 2.993,359 2.063,360 2.695,362 5.775,363 1.912,364 3.052,365 2.108,366 4.849,367 2.798,368 1.829,369 2.178,371 5.259,372 1.768,373 2.831,374 1.644,375 4.13,376 2.504,377 1.524,378 1.958,380 3.724,381 1.491,382 2.694,383 1.517,384 4.101,385 2.337,386 1.397,387 1.727,389 3.596,390 1.309,391 2.162,392 0.984,393 3.357,394 1.92,395 0.933,396 1.115,398 2.124,399 0.92,400 1.623,401 0.631,402 3.065,403 1.326,404 0.377,405 0.453,407 0.926,408 0.357,409 1.046,410 0.044,411 2.452,412 0.764,413 -0.208,414 -0.231,415 -0.483,416 -0.201,417 0.92,418 -0.046,419 2.359,420 0.694,421 -0.273,422 -0.325,423 -0.691,424 -0.263,425 0.796,426 -0.314,427 2.322,428 0.393,429 -0.514,430 -0.621,431 -1.242,432 -0.466,433 0.469,434 -0.563,435 2.261,436 0.205,437 -0.768,438 -0.894,439 -2.05,440 -0.743,441 0.421,442 -0.758,443 2,444 0.049,445 -0.927,446 -1.179,448 -2.582,449 -0.901,450 0.039,451 -1.067,452 1.517,453 -0.3,454 -1.246,455 -1.526,457 -3.438,458 -1.172,459 9.5,460 0.475,461 0.541,462 0.027,463 26.75,464 1.338,465 13.5,466 0.675,467 13.25,468 0.663,469 14.479,470 0.724,471 21.7,472 0.556,473 16.882,474 0.844,475 5.114,476 0.256,477 4.517,478 0.226,479 0.137,481 0.358,485 1.151,486 1.345,487 0.898,488 1.045,489 1.26,490 0.956,491 0.738,492 0.88,493 0.834,494 0.897,495 0.393,496 0.881,497 0.965,498 1.219,499 1.065,500 1.189,501 0.761,502 1.148,503 0.875,504 0.954,505 1.125,506 1.129,507 0.848,508 1.154,509 0.666,510 1.07,511 0.994,512 1.164,513 0.789,514 1.127,515 0.941,516 0.844,517 0.832,518 0.796,519 0.9,520 0.8,521 0.82,522 1.266,523 0.882,524 1.118,525 0.807,526 1.026,527 1.109,528 0.895,529 0.999,530 0.899,531 1.325,532 0.93,533 4.5,534 0.054,535 2.444,536 1.438,537 1.28,538 0.382,539 0.363,540 0.252,541 0.169,542 0.104,543 3834,544 8870,545 2.077,546 48.7,547 4,548 8,550 1,551 4,553 2,555 1.615,556 1.935,557 3.111,558 1.928,560 1,562 1,564 55.207,565 1.416,566 3.553,567 4.631,568 4.856,569 4.856,570 4.856,571 2.528,572 3.922,573 4.297,574 3.222,575 612.246,576 7.325,577 6196.59,578 1,579 1,581 1,582 206.131,583 1.441,584 4.248,585 0.205,586 0.013,587 0.079,588 0.046,589 0.053,590 0.02,591 0.021,592 0.016,593 0.012,594 0.01,595 0.476,596 0.5,597 1,598 0.627,599 88.412,600 -0.136,601 -0.081,602 0.033,603 0.037,604 -0.193,605 0.053,606 0.243,607 0.262,608 0.116,609 0.146,610 0.317,611 0.12,612 -0.119,613 -0.133,614 -0.131,615 -0.137,616 -0.046,617 -0.135,618 -0.033,619 0.026,620 -0.174,621 -0.119,622 0.014,623 -0.157,624 0.017,625 -0.171,626 -0.048,627 -0.141,628 0.003,629 -0.109,630 -0.017,631 0.022,632 0.158,633 0.152,634 0.027,635 0.173,636 0.057,637 -0.31,638 0.082,639 -0.123,640 0.073,641 -0.034,642 0.159,643 0.083,644 0.014,645 -0.005,646 -0.089,647 -0.012,648 1.446,649 1.89,650 0.8,651 13.66,652 0.992,653 1.138,654 2.78,655 7.731,656 0.65,657 3.135,658 3.466,659 3.714,660 3.951,661 4.174,662 4.159,663 4.205,664 4.344,665 4.431,666 4.331,667 5.144,668 0.61,669 269.39,670 3.135,671 4.673,672 5.517,673 6.392,674 7.251,675 8.127,676 8.99,677 9.866,678 10.732,679 11.609,680 12.8,684 2,686 1,690 2,695 4,696 2,700 6,702 12,711 2,714 1,718 39,719 12,720 1,721 22,723 41,724 15,725 10,726 3,727 3,729 3,730 4,736 2,739 3,741 10,742 5,753 1,754 1,757 19,758 5,759 4,760 5,764 5,769 0.667,776 1,781 3,785 1,802 2,806 1,810 20,811 2,816 4,821 1,836 10.333,837 7.1,838 4.333,839 2.261,840 2.293,841 1.34,842 1.011,843 3.49,844 9.038,845 3.367,846 3.97,847 4.505,848 5.032,849 5.557,850 5.665,851 5.898,852 6.287,853 6.628,854 6.825,855 0.833,856 31,857 7.352,859 3.073,860 7.6,861 14.311,863 11.819,865 2.1,866 42,867 0.001,870 176.567,871 72.122,872 102.49,877 72.122,878 176.567,879 102.49,880 8.396,881 9.709,882 94.223,883 45.342,884 24.485,885 4.227,886 164.795,888 176.567,889 174.612,893 153.024,894 23.542,897 20.656,898 120.385,899 33.571,901 176.567,902 102.49,903 72.122,906 176.567,907 26.25,908 48.997,910 99.365,911 176.567,912 102.49,913 72.122,915 0.588,916 0.341,917 0.18,918 0.097,919 16,920 7,921 0.049,922 2,923 1,924 1.125,925 3.249,926 150.356,927 0.125,928 16,929 86.439,933 13.191,934 5.291,935 2.732,937 102.49,938 8.318,939 8.02,943 5.584,945 65.794,946 351.179,947 28,956 38.694,957 44.398,958 0.268,959 0.672,960 0.876,961 0.919,962 0.919,963 0.919,964 4.605,965 0.933,966 5.509,967 3.596,968 4.143,969 4.654,970 1.059,971 6.304,972 4.067,973 5.81,974 0.377,975 7.062,976 2.124,977 3.761,978 4.477,979 0.325,980 7.154,981 3.638,982 7.115,983 -0.208,984 8.711,985 0.926,986 5.727,987 6.822,988 0.636,989 10.229,990 5.584,991 8.451,992 -0.273,993 10.413,994 -0.483,995 6.111,996 7.399,997 0.268,998 11.877,999 5.926,1000 9.816,1001 -0.514,1002 12.151,1003 -0.691,1004 7.577,1005 9.257,1006 0.384,1007 14.468,1008 7.375,1009 11.201,1010 -0.768,1011 13.912,1012 -1.242,1013 8.33,1014 10.197,1015 0.188,1016 16.465,1017 8.09,1018 12.601,1019 -0.927,1020 15.692,1021 -2.05,1022 9.583,1023 11.832,1024 0.232,1025 18.873,1026 9.325,1027 3.047,1028 -1.246,1029 17.485,1030 -2.582,1031 10.515,1032 12.962,1033 0.125,1034 21.028,1035 10.224,1036 2.865,1037 10.036,1038 19.289,1039 -3.438,1040 11.676,1041 14.481,1042 0.14,1043 23.364,1044 11.363,1045 2.368,1046 8.856,1047 21.102,1048 3.984,1049 12.693,1050 15.715,1051 0.082,1052 25.591,1053 12.351,1054 2.063,1055 6.923,1056 22.922,1057 3.858,1058 13.815,1059 17.17,1060 0.085,1061 27.898,1062 13.449,1063 1.829,1064 5.775,1065 24.748,1066 2.982,1067 14.874,1068 18.462,1069 0.054,1070 30.16,1071 14.48,1072 1.524,1073 5.259,1074 26.579,1075 2.695,1076 15.98,1077 19.881,1078 0.052,1079 32.457,1080 15.561,1081 1.397,1082 3.724,1083 28.415,1084 2.178,1085 17.059,1086 21.207,1087 0.035,1088 34.736,1089 16.614,1090 3732,1091 5781,1092 14.622,1093 25.358,1094 33.099,1095 32.924,1096 34.082,1097 32.837,1098 32.807,1099 41.899,1100 2.96,1101 94.436,1102 31.499,1103 5.305,1104 5.272,1105 6.007,1106 5.089,1107 5.047,1108 6.984,1109 1.48,1110 16.789,1111 4.97,1112 9.452,1113 1.505,1114 1.497,1115 1.549,1116 1.493,1117 1.491,1118 1.905,1119 0.135,1120 4.293,1121 1.432,1122 4.03,1123 4.068,1124 3.971,1125 3.954,1126 5.291,1127 3.953,1128 3.846,1129 3.903,1130 3.802,1131 3.686,1132 4.979,1133 3.707,1134 3.539,1135 3.605,1136 3.412,1137 3.395,1138 4.733,1139 3.391,1140 3.242,1141 3.338,1142 3.057,1143 3.042,1144 4.444,1145 3.035,1146 3.156,1147 3.255,1148 3.017,1149 2.934,1150 4.163,1151 2.942,1152 2.979,1153 3.1,1154 2.817,1155 2.706,1156 3.838,1157 2.687,1158 2.861,1159 2.952,1160 2.645,1161 2.657,1162 3.747,1163 2.675,1164 2.777,1165 2.883,1166 2.607,1167 2.543,1168 3.641,1169 2.554,1170 0.198,1171 0.149,1172 0.294,1173 0.183,1174 0.138,1175 4.359,1176 0.181,1177 3.272,1178 0.036,1179 6.471,1180 0.456,1181 4.02,1182 0.135,1183 3.047,1184 3.984,1185 0.8,1186 10.036,1187 2.97,1188 1.997,1189 1.967,1190 2.113,1191 2.099,1192 1.377,1193 2.106,1194 1.778,1195 1.73,1196 1.901,1197 1.97,1198 1.126,1199 1.948,1200 1.529,1201 1.467,1202 1.722,1203 1.706,1204 0.82,1205 1.722,1206 1.246,1207 1.152,1208 1.594,1209 1.498,1210 0.716,1211 1.537,1212 1.106,1213 1.024,1214 1.362,1215 1.4,1216 0.464,1217 1.395,1218 0.901,1219 0.817,1220 1.259,1221 1.266,1222 0.364,1223 1.274,1224 0.89,1225 0.772,1226 1.226,1227 1.121,1228 0.094,1229 1.174,1230 0.742,1231 0.645,1232 1.078,1233 1.049,1235 1.07,1236 3.807,1238 5.13,1240 6.655,1242 8.274,1244 9.937,1246 2.142,1250 11.409,1252 4.218,1257 2.309,1262 23.795,1263 55.207,1264 138.567,1265 180.621,1266 189.376,1267 189.376,1268 189.376,1269 23.644,1270 6.744,1271 81.06,1272 81.06,1273 18,1274 12.149,1275 3.7,1276 2.807,1277 30.061,1278 62,1279 58,1280 0.243,1281 148.882,1282 248.34,1283 355.033,1284 6915,1286 14.113,1287 0.706,1288 0.582,1289 14.113,1290 11.634,1291 9.631,1292 0.438,1293 0.31,1294 6.747,1295 9.317,1296 6.547,1297 5.453,1298 9.631,1299 6.831,1300 8.902,1301 0.287,1302 0.171,1303 8.902,1304 5.304,1305 7.36,1306 0.184,1307 0.095,1308 7.36,1309 3.806,1310 6.102,1311 0.12,1312 0.054,1313 6.102,1314 2.739,1315 4.864,1316 0.076,1317 0.03,1318 4.864,1319 1.9,1320 0.377,1321 59.885,1322 0.262,1323 19.846,1324 0.679,1325 106,1326 255.56,1327 114.132,1328 258.65,1329 361.9,1330 242,1331 124,1332 276.437,1333 131.993,1334 285.415,1335 412.86,1336 267,1337 4.051}
{0 CHEMBL605980,1 1.709,2 12.385,3 3.667,4 13.445,5 104.936,6 8.678,7 0.759,8 3.873,9 3.973,10 3.613,11 3.478,12 5.086,13 3.458,14 4.319,15 4.435,16 3.974,17 3.845,18 5.539,19 3.797,20 4.493,21 4.647,22 3.982,23 3.898,24 5.595,25 3.828,26 4.492,27 4.658,28 3.912,29 3.834,30 5.648,31 3.736,32 4.441,33 4.645,34 3.736,35 3.751,36 5.487,37 3.649,38 4.369,39 4.59,40 3.568,41 3.733,42 5.291,43 3.592,44 4.27,45 4.474,46 3.571,47 3.584,48 5.301,49 3.476,50 4.143,51 4.36,52 3.392,53 3.419,54 5.167,55 3.294,56 0.076,57 0.627,58 7.065,59 3.6,60 11.311,61 3.854,62 0.229,63 0.974,64 14.363,65 6.637,66 21.517,67 7.148,68 0.25,69 1.121,70 19.214,71 7.796,72 22.96,73 8.143,74 0.444,75 1.105,76 21.957,77 8.35,78 38.906,79 8.894,80 0.37,81 1.076,82 19.872,83 6.678,84 35.777,85 7.757,86 0.147,87 0.941,88 19.343,89 8.049,90 19.814,91 10.152,92 0.216,93 0.86,94 16.091,95 6.392,96 23.352,97 7.655,98 0.215,99 0.796,100 18.422,101 6.168,102 22.428,103 6.736,104 5,105 40,106 0.294,107 0.61,108 0.702,109 0.802,110 0.838,111 0.838,112 3.303,113 0.923,114 -4.97,115 -4.88,116 -4.57,119 45.2,125 1,139 9,140 2,141 3,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 7,169 2,170 8,172 3,173 3,175 1,178 9,180 1,182 6,187 1,189 7,191 1,192 1,193 2,195 3,196 3,197 1,198 1,200 2,201 6,204 1,205 1,207 3,212 2,215 12,218 2,221 2,229 8,234 7,239 3,241 4,243 3,246 5,251 2,254 2,256 2,259 1,265 2,268 3,270 2,273 976,274 17.809,275 17.809,276 17.809,277 17.809,278 17.809,279 15.107,280 18.074,281 10.624,282 18.293,283 14.354,284 14.354,285 14.354,286 14.354,287 14.354,288 10.375,289 22.068,290 5.105,291 15.183,292 3.684,293 1.851,294 1.316,295 0.732,296 0.524,297 0.524,298 4.005,300 1,301 1,302 1,303 710,304 2.646,306 60.161,307 250.262,310 112.292,314 1.97,315 19.735,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 56,327 322,328 4.638,329 4.437,330 6.78,331 4.163,332 3.188,333 4.608,334 3.272,335 11.107,336 3.111,337 4.088,338 3.288,339 5.618,340 3.66,341 2.726,342 3.677,343 0.86,344 7.79,345 2.538,346 3.861,347 3.058,348 5.369,349 3.414,350 2.483,351 3.41,353 7.012,354 2.324,355 3.706,356 2.819,357 5.268,358 3.257,359 2.323,360 3.154,362 6.634,363 2.16,364 3.435,365 2.365,366 5.063,367 3.001,368 2.074,369 2.792,371 5.866,372 1.893,373 3.402,374 2.277,375 4.955,376 2.922,377 1.98,378 2.731,380 5.788,381 1.863,382 3.047,383 2.065,384 4.75,385 2.664,386 1.712,387 2.222,389 4.953,390 1.622,391 2.864,392 1.646,393 3.595,394 2.395,395 1.419,396 2.021,398 3.042,399 1.378,400 2.5,401 1.53,402 3.588,403 2,404 1,405 1.5,407 2.275,408 1,409 2.5,410 1,411 3.414,412 2,413 1,414 1.5,415 2.136,416 1,417 2.307,418 1,419 3.255,420 1.834,421 0.871,422 1.226,423 2.129,424 0.833,425 1.878,426 0.908,427 3.247,428 1.513,429 0.657,430 0.779,431 1.624,432 0.549,433 1.359,434 0.845,435 2.814,436 1.003,437 0.096,438 0.117,439 0.243,440 0.086,441 1.103,442 0.177,443 2.678,444 0.672,445 -0.245,446 -0.311,448 -0.648,449 -0.223,450 0.907,451 -0.028,452 2.435,453 0.48,454 -0.442,455 -0.563,457 -1.112,458 -0.403,459 12.6,460 0.485,461 0.571,462 0.022,463 39,464 1.5,465 22,466 0.846,467 17,468 0.654,469 16.956,470 0.652,471 26.4,472 0.629,473 26.179,474 1.007,475 7.633,476 0.294,477 5.054,478 0.194,479 0.063,481 0.317,485 1.01,486 0.995,487 0.717,488 0.804,489 1.217,490 0.75,491 0.803,492 0.908,493 0.977,494 1.077,495 0.542,496 0.937,497 1.325,498 1.119,499 1.145,500 1.097,501 1.054,502 1.013,503 1.064,504 1.036,505 1.264,506 1.223,507 0.81,508 1.124,509 1.174,510 0.886,511 1.06,512 0.958,513 1.419,514 1.03,515 0.435,516 0.937,517 0.929,518 1.069,519 0.545,520 1.045,521 1.006,522 1.036,523 0.889,524 0.972,525 0.899,526 1.015,527 1.107,528 1.09,529 1.446,530 1.233,531 1.022,532 1.023,533 5,534 0.07,535 2.222,536 1.66,537 1.303,538 0.441,539 0.453,540 0.292,541 0.145,542 0.168,543 9438,544 27304,545 2.148,546 38.1,548 11,549 1,551 4,555 1.683,556 2.053,557 3.555,558 1.735,560 1,564 71.767,565 1.709,566 3.541,567 4.076,568 4.66,569 4.869,570 4.869,571 3.061,572 4.027,573 4.673,574 3.742,575 1216.27,576 8.052,577 15862.7,578 1,579 1,581 1,582 226.477,583 1.239,584 4.65,585 0.172,586 0.004,587 0.056,588 0.044,589 0.039,590 0.016,591 0.017,592 0.012,593 0.007,594 0.01,595 0.379,597 1,598 0.465,599 130.046,600 -0.137,601 0.069,602 0.038,603 0.087,604 -0.284,605 0.081,606 0.181,607 0.122,608 -0.011,609 -0.057,610 0.249,611 -0.042,612 -0.197,613 -0.109,614 -0.095,615 -0.061,616 -0.155,617 -0.084,618 0.132,619 -0.044,620 -0.103,621 -0.124,622 0.215,623 -0.157,624 -0.204,625 0.121,626 -0.072,627 0.01,628 -0.358,629 -0.064,630 0.104,631 -0.056,632 0.083,633 -0.017,634 0.087,635 0.052,636 -0.065,637 -0.119,638 0.087,639 0.018,640 -0.01,641 0.002,642 -0.14,643 -0.071,644 -0.13,645 -0.061,646 -0.046,647 0.018,648 1.558,649 2.299,650 0.808,651 25.775,652 1.01,653 1.115,654 3.744,655 14.018,656 0.718,657 3.401,658 3.714,659 3.97,660 4.248,661 4.419,662 4.431,663 4.5,664 4.605,665 4.625,666 4.682,667 7.163,668 0.687,669 364.46,670 3.401,671 4.934,672 5.778,673 6.65,674 7.507,675 8.385,676 9.249,677 10.13,678 10.998,679 11.881,680 9.5,684 2,690 2,694 2,695 10,696 2,698 1,700 6,702 22,711 2,716 1,718 42,719 22,720 2,721 29,723 45,724 19,725 18,726 3,727 9,729 4,730 5,741 18,742 1,753 1,754 1,756 1,757 16,758 6,759 4,760 7,761 1,764 4,769 0.75,770 2,776 1,780 1,781 3,784 1,802 3,803 1,804 1,810 26,811 2,816 1,818 1,819 1,829 4.8,834 2,836 12.667,837 7.4,838 5.667,839 2.235,840 4.084,841 1.543,842 1.035,843 4.797,844 11.606,845 3.714,846 4.36,847 4.965,848 5.58,849 6.076,850 6.278,851 6.604,852 6.996,853 7.148,854 7.4,855 1,856 38,857 9.517,859 4.028,860 7.718,861 18.047,863 14.625,865 2.218,866 57.667,869 1,870 141.253,871 156.575,872 99.365,874 20.507,876 32.22,877 124.356,878 161.76,879 99.365,881 0.9,882 162.82,883 37.978,884 38.303,885 15.998,886 161.702,888 141.253,889 223.721,890 20.507,891 32.22,893 141.253,894 20.507,897 7.206,898 182.944,899 33.571,900 32.22,901 141.253,902 119.873,903 156.575,906 141.253,907 59.55,908 97.026,910 119.873,911 141.253,912 119.873,913 156.575,915 0.579,916 0.332,917 0.186,918 0.098,919 20,920 8,921 0.111,922 5,923 1,924 1.095,925 3.987,926 213.4,927 0.095,928 21,929 114.211,930 1,933 16.91,934 7.376,935 3.855,936 1.132,937 119.873,938 19.259,939 8.058,941 5.44,943 4.095,945 65.794,946 417.701,947 40,956 42.44,957 46.823,958 0.317,959 0.657,960 0.756,961 0.864,962 0.903,963 0.903,964 4.924,965 1.419,966 5.746,967 4.953,968 4.394,969 5.047,970 3.174,971 6.526,972 4.287,973 6.138,974 1,975 7.279,976 3.042,977 3.892,978 4.808,980 7.349,981 3.724,982 7.442,983 1,984 8.909,985 2.275,986 5.953,987 7.3,988 5.444,989 10.457,990 5.752,991 8.783,992 0.871,993 10.599,994 2.136,995 6.275,996 7.919,998 12.18,999 6.031,1000 10.157,1001 0.657,1002 12.331,1003 2.129,1004 7.789,1005 9.855,1006 7.807,1007 14.809,1008 7.521,1009 11.554,1010 0.096,1011 14.094,1012 1.624,1013 8.52,1014 10.915,1016 16.937,1017 8.226,1018 12.972,1019 -0.245,1020 15.883,1021 0.243,1022 9.805,1023 12.611,1024 10.177,1025 19.413,1026 9.49,1027 3.188,1028 -0.442,1029 17.692,1030 -0.648,1031 10.746,1032 13.905,1034 21.712,1035 10.414,1036 2.726,1037 11.107,1038 19.52,1039 -1.112,1040 11.936,1041 15.495,1042 12.548,1043 24.139,1044 11.588,1045 2.483,1046 7.79,1047 21.362,1048 4.608,1049 12.983,1050 16.909,1052 26.505,1053 12.62,1054 2.323,1055 7.012,1056 23.217,1057 3.677,1058 14.139,1059 18.456,1060 14.919,1061 28.918,1062 13.759,1063 2.074,1064 6.634,1065 25.083,1066 3.41,1067 15.238,1068 19.928,1070 31.31,1071 14.843,1072 1.98,1073 5.866,1074 26.958,1075 3.154,1076 16.385,1077 21.459,1078 17.29,1079 33.718,1080 15.973,1081 1.712,1082 5.788,1083 28.84,1084 2.792,1085 17.51,1086 22.959,1088 36.119,1089 17.081,1090 8790,1091 15122,1092 19.879,1093 30.148,1094 43.35,1095 46.321,1096 43.712,1097 43.088,1098 43.055,1099 59.475,1100 8.265,1101 121.201,1102 40.712,1103 5.479,1104 6.437,1105 6.582,1106 5.289,1107 5.188,1108 7.608,1109 6.545,1110 17.998,1111 5.111,1112 9.455,1113 1.495,1114 1.597,1115 1.507,1116 1.486,1117 1.485,1118 2.051,1119 0.285,1120 4.179,1121 1.404,1122 4.084,1123 4.103,1124 4.119,1125 3.961,1126 5.362,1127 3.971,1128 3.936,1129 3.954,1130 3.949,1131 3.852,1132 4.984,1133 3.856,1134 3.811,1135 3.838,1136 3.804,1137 3.77,1138 4.947,1139 3.753,1140 3.428,1141 3.492,1142 3.496,1143 3.261,1144 4.932,1145 3.247,1146 3.112,1147 3.197,1148 3.259,1149 2.974,1150 4.666,1151 2.947,1152 3.068,1153 3.121,1154 2.963,1155 2.741,1156 4.181,1157 2.781,1158 2.911,1159 2.955,1160 2.827,1161 2.735,1162 4.136,1163 2.726,1164 2.854,1165 2.925,1166 2.687,1167 2.735,1168 3.823,1169 2.715,1170 0.16,1171 0.153,1172 0.234,1173 0.144,1174 0.11,1175 4.638,1176 0.159,1177 4.437,1178 0.113,1179 6.78,1180 0.383,1181 4.163,1182 0.107,1183 3.188,1184 4.608,1185 3.272,1186 11.107,1187 3.111,1188 1.91,1189 1.894,1190 2.012,1191 2.006,1192 1.128,1193 2.01,1194 1.84,1195 1.815,1196 1.933,1197 1.991,1198 1.047,1199 1.956,1200 1.798,1201 1.768,1202 1.853,1203 1.89,1204 0.994,1205 1.91,1206 1.457,1207 1.433,1208 1.579,1209 1.663,1210 0.628,1211 1.651,1212 0.997,1213 0.982,1214 1.253,1215 1.356,1216 0.218,1217 1.336,1218 0.957,1219 0.882,1220 1.181,1221 1.304,1222 0.218,1223 1.283,1224 0.886,1225 0.821,1226 1.181,1227 1.123,1228 0.213,1229 1.118,1230 0.886,1231 0.821,1232 1.171,1233 1.062,1234 0.15,1235 1.107,1236 4.078,1238 5.389,1239 2.398,1240 6.891,1241 4.727,1242 8.48,1243 6.843,1244 10.117,1250 11.537,1252 0.684,1254 5.799,1255 1.663,1262 28.863,1263 71.767,1264 148.729,1265 171.193,1266 195.722,1267 204.477,1268 204.477,1269 32.353,1270 7.522,1271 100.19,1272 125.49,1273 23,1274 12.418,1275 4.524,1276 3.585,1277 38.425,1278 114,1279 104,1280 0.165,1281 180.478,1282 297.91,1283 432.126,1284 20792,1286 17.933,1287 0.69,1288 0.56,1289 18.286,1290 14.571,1291 12.687,1292 0.437,1293 0.308,1294 7.916,1295 11.757,1296 7.673,1297 6.359,1298 13.141,1299 8.923,1300 11.433,1301 0.286,1302 0.166,1303 12.01,1304 6.632,1305 9.437,1306 0.181,1307 0.093,1308 10.114,1309 4.813,1310 8.244,1311 0.119,1312 0.049,1313 8.899,1314 3.406,1315 6.344,1316 0.077,1317 0.029,1318 7.118,1319 2.352,1320 0.267,1321 83.78,1322 0.224,1323 25.695,1324 0.428,1325 138,1326 414.246,1327 174.527,1328 423.381,1329 588.66,1330 398,1331 161,1332 435.017,1333 193.008,1334 450.564,1335 658.53,1336 424,1337 4.189}
{0 CHEMBL606039,1 1.616,2 8.682,3 2.397,4 5.748,5 87.376,6 7.799,7 0.667,8 3.76,9 3.878,10 3.358,11 3.261,12 4.983,13 3.272,14 4.216,15 4.372,16 3.71,17 3.617,18 5.411,19 3.612,20 4.324,21 4.477,22 3.753,23 3.721,24 5.464,25 3.703,26 4.459,27 4.631,28 3.751,29 3.763,30 5.66,31 3.711,32 4.552,33 4.765,34 3.476,35 3.739,36 5.565,37 3.635,38 4.491,39 4.748,40 3.38,41 3.622,42 5.394,43 3.495,44 4.332,45 4.592,46 3.372,47 3.407,48 5.357,49 3.343,50 4.092,51 4.309,52 3.265,53 3.22,54 5.258,55 3.172,56 0.071,57 0.572,58 7.315,59 3.09,60 11.267,61 3.833,62 0.291,63 0.845,64 13.297,65 5.374,66 25.543,67 6.694,68 0.148,69 0.962,70 14.036,71 5.61,72 15.362,73 7.232,74 0.339,75 1.032,76 17.148,77 6.886,78 34.504,79 9.003,80 0.386,81 1.053,82 20.766,83 7.229,84 39.397,85 9.52,86 0.238,87 0.952,88 20.748,89 7.616,90 28.538,91 10.831,92 0.382,93 0.818,94 18.215,95 5.353,96 35.577,97 7.775,98 0.296,99 0.672,100 13.129,101 4.149,102 26.657,103 5.888,104 18,105 34,106 0.288,107 0.686,108 0.806,109 0.862,110 0.871,111 0.871,112 3.147,113 0.84,114 -4.14,115 -4.09,116 -3.87,119 42.1,120 1,124 1,134 1,135 1,139 4,140 3,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 9,169 2,170 6,172 3,173 3,175 1,178 10,180 1,182 6,187 1,189 9,191 1,192 1,193 6,195 3,196 3,197 1,198 2,200 2,201 8,204 2,205 1,207 5,212 2,215 5,218 2,221 6,226 3,229 3,231 3,233 1,234 4,239 2,241 1,243 2,245 2,246 5,248 1,249 1,251 4,256 4,260 2,265 2,270 2,273 576,274 14.801,275 14.801,276 14.801,277 14.801,278 14.801,279 12.625,280 13.063,281 8.598,282 15.151,283 11.771,284 11.771,285 11.771,286 11.771,287 11.771,288 8.501,289 14.929,290 3.962,291 12.248,292 3.632,293 1.395,294 0.724,295 0.408,296 0.356,297 0.356,298 3.823,300 1,301 1,302 1,303 406,304 2.915,306 44.789,307 125.56,310 84.25,314 1.256,315 18.626,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48,327 191,328 4.653,329 3.241,330 6.788,331 4.181,332 3.201,333 4.622,334 0.86,335 11.141,336 3.139,337 4.337,338 3.128,339 6.442,340 3.944,341 2.966,342 3.956,344 9.9,345 2.902,346 3.753,347 2.495,348 5.362,349 3.294,350 2.354,351 3.211,353 6.838,354 2.213,355 3.469,356 2.295,357 5.063,358 2.999,359 2.044,360 2.827,362 5.815,363 1.945,364 3.39,365 2.065,366 5.031,367 2.919,368 1.978,369 2.708,371 5.709,372 1.859,373 2.964,374 1.748,375 4.699,376 2.581,377 1.616,378 2.127,380 4.694,381 1.555,382 2.917,383 1.597,384 3.864,385 2.459,386 1.487,387 2.083,389 3.189,390 1.437,391 2.545,392 1.107,393 3.591,394 2.014,395 1.017,396 1.51,398 2.522,399 1.014,400 2.265,401 0.937,402 3.57,403 1.794,404 0.815,405 1.161,407 2.061,408 0.797,409 1.656,410 0.852,411 2.833,412 1.345,413 0.468,414 0.535,415 0.719,416 0.406,417 1.179,418 0.057,419 2.683,420 0.857,421 -0.097,422 -0.117,423 -0.251,424 -0.092,425 0.995,426 -0.219,427 2.589,428 0.545,429 -0.391,430 -0.52,431 -1.028,432 -0.365,433 0.774,434 -0.277,435 2.246,436 0.367,437 -0.569,438 -0.695,439 -1.191,440 -0.527,441 0.605,442 -0.402,443 2,444 0.293,445 -0.655,446 -0.767,448 -1.517,449 -0.618,450 0.544,451 -0.79,452 2,453 0.097,454 -0.888,455 -1.219,457 -2.076,458 -0.874,459 10.267,460 0.467,461 0.575,462 0.026,463 31.5,464 1.432,465 17,466 0.773,467 14.5,468 0.659,469 14.629,470 0.665,471 23.333,472 0.614,473 22.24,474 1.011,475 6.484,476 0.295,477 4.113,478 0.187,479 0.175,481 0.39,485 1.024,486 1.176,487 0.782,488 0.999,489 1.245,490 0.857,491 0.935,492 0.725,493 0.697,494 0.778,495 0.621,496 0.727,497 0.996,498 1.232,499 0.91,500 1.123,501 0.9,502 1.014,503 0.786,504 1.124,505 0.984,506 1.228,507 0.587,508 1.176,509 1.339,510 0.981,511 1.349,512 1.115,513 1.333,514 1.221,515 0.69,516 1.045,517 0.887,518 1.111,519 0.635,520 1.061,521 0.981,522 0.835,523 0.841,524 0.761,525 1.014,526 0.758,527 0.902,528 1.208,529 0.945,530 1.103,531 0.801,532 1.05,533 4.5,534 0.054,535 2.667,536 2.222,537 1.227,538 0.799,539 0.341,540 0.35,541 0.175,542 0.124,543 4645,544 13463,545 2.043,546 42.1,547 3,548 8,549 1,551 4,555 1.647,556 1.886,557 3.104,558 1.87,559 1,560 1,562 1,564 61.421,565 1.616,566 3.853,567 4.524,568 4.84,569 4.892,570 4.892,571 2.517,572 4.278,573 4.435,574 3.23,575 746.123,576 7.625,577 8067.23,578 1,579 1,581 1,582 199.421,583 1.495,584 4.376,585 0.188,586 0.011,587 0.078,588 0.063,589 0.037,590 0.033,591 0.016,592 0.016,593 0.009,594 0.011,595 0.462,596 0.5,597 1,598 0.853,599 100.082,600 -0.136,601 -0.009,602 0.023,603 0.014,604 -0.297,605 0.054,606 0.139,607 0.335,608 0.201,609 0.238,610 0.221,611 0.218,612 -0.118,613 -0.139,614 -0.055,615 -0.117,616 -0.112,617 -0.075,618 0.185,619 -0.107,620 -0.081,621 -0.217,622 0.306,623 -0.214,624 -0.29,625 -0.024,626 -0.385,627 -0.129,628 -0.375,629 -0.252,630 0.051,631 -0.187,632 0.111,633 -0.082,634 0.097,635 0.004,636 0.066,637 0.083,638 0.209,639 0.183,640 0.012,641 0.229,642 0.206,643 -0.234,644 0.052,645 -0.162,646 0.247,647 -0.104,648 1.573,649 1.928,650 0.682,651 14.926,652 1.01,653 1.129,654 2.913,655 8.483,656 0.671,657 3.219,658 3.555,659 3.85,660 4.143,661 4.263,662 4.304,663 4.344,664 4.419,665 4.419,666 4.357,667 5.231,668 0.649,669 296.36,670 3.219,671 4.762,672 5.624,673 6.518,674 7.394,675 8.293,676 9.175,677 10.075,678 10.96,679 11.862,680 10.5,684 2,690 2,694 2,695 5,696 2,698 1,700 5,702 16,711 2,716 1,718 38,719 17,720 1,721 24,723 40,724 16,725 12,726 2,727 4,728 2,729 3,730 4,734 1,741 14,742 2,744 1,749 1,751 1,753 1,754 1,756 1,757 16,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,795 1,796 1,802 2,806 2,810 22,811 2,818 1,829 5.3,834 2,836 11.667,837 7.4,838 4.889,839 1.985,840 3.77,841 1.548,842 1.003,843 3.835,844 10.646,845 3.526,846 4.201,847 4.861,848 5.515,849 6.015,850 6.36,851 6.756,852 7.174,853 7.437,854 7.752,855 0.833,856 35,857 8.032,859 3.344,860 7.788,861 15.077,863 11.934,865 2.288,866 50.333,870 141.253,871 104.837,872 99.365,874 20.507,877 104.837,878 161.76,879 99.365,880 19.708,882 124.915,883 37.978,884 37.88,885 15.998,886 129.482,888 141.253,889 204.202,890 20.507,893 141.253,894 20.507,897 15.132,898 146.023,899 43.047,901 141.253,902 119.873,903 104.837,906 141.253,907 26.008,908 78.829,910 119.873,911 141.253,912 119.873,913 104.837,915 0.582,916 0.355,917 0.204,918 0.1,919 17,920 8,921 0.075,922 3,923 1,924 1.133,925 3.347,926 174.465,927 0.133,928 15,929 96.107,933 14.569,934 5.792,935 2.718,936 1.035,937 119.873,938 9.384,939 8.016,941 5.417,943 2.995,945 65.794,946 365.962,947 33,952 1.958,954 1.011,956 38.363,957 42.903,958 0.308,959 0.734,960 0.862,961 0.922,962 0.932,963 0.932,964 4.754,965 1.017,966 5.624,967 3.189,968 4.234,969 4.887,970 0.908,971 6.469,972 4.165,973 5.999,974 0.815,975 7.206,976 2.522,977 3.892,978 4.796,980 7.448,981 3.794,982 7.332,983 0.468,984 8.889,985 2.061,986 5.855,987 7.201,988 0.739,989 10.572,990 5.736,991 8.705,992 -0.097,993 10.631,994 0.719,995 6.33,996 7.952,998 12.394,999 6.192,1000 10.11,1001 -0.391,1002 12.413,1003 -0.251,1004 7.782,1005 9.828,1006 0.593,1007 15.038,1008 7.628,1009 11.539,1010 -0.569,1011 14.222,1012 -1.028,1013 8.631,1014 10.983,1016 17.2,1017 8.461,1018 12.986,1019 -0.655,1020 16.051,1021 -1.191,1022 9.887,1023 12.643,1024 0.469,1025 19.68,1026 9.702,1027 3.201,1028 -0.888,1029 17.896,1030 -1.517,1031 10.904,1032 13.993,1034 21.978,1035 10.703,1036 2.966,1037 11.141,1038 19.752,1039 -2.076,1040 12.086,1041 15.564,1042 0.366,1043 24.399,1044 11.869,1045 2.354,1046 9.9,1047 21.618,1048 4.622,1049 13.175,1050 17.005,1052 26.752,1053 12.941,1054 2.044,1055 6.838,1056 23.491,1057 3.956,1058 14.332,1059 18.543,1060 0.283,1061 29.154,1062 14.08,1063 1.978,1064 5.815,1065 25.37,1066 3.211,1067 15.453,1068 20.026,1070 31.531,1071 15.183,1072 1.616,1073 5.709,1074 27.254,1075 2.827,1076 16.601,1077 21.552,1078 0.217,1079 33.928,1080 16.313,1081 1.487,1082 4.694,1083 29.141,1084 2.708,1085 17.736,1086 23.056,1088 36.316,1089 17.43,1090 4581,1091 7927,1092 15.72,1093 25.5,1094 36.395,1095 36.265,1096 37.82,1097 35.895,1098 35.888,1099 49.48,1100 1.72,1101 105.178,1102 34.534,1103 5.316,1104 5.241,1105 6.48,1106 5.252,1107 5.201,1108 7.622,1109 1.72,1110 18.077,1111 5.139,1112 11.421,1113 1.516,1114 1.511,1115 1.576,1116 1.496,1117 1.495,1118 2.062,1119 0.072,1120 4.382,1121 1.439,1122 4.098,1123 4.116,1124 4.079,1125 3.977,1126 5.365,1127 3.995,1128 3.914,1129 3.935,1130 3.864,1131 3.824,1132 4.987,1133 3.834,1134 3.502,1135 3.56,1136 3.421,1137 3.37,1138 4.953,1139 3.371,1140 3.299,1141 3.362,1142 3.197,1143 3.055,1144 4.865,1145 3.086,1146 3.249,1147 3.315,1148 3.062,1149 2.966,1150 4.404,1151 2.976,1152 3.079,1153 3.197,1154 2.958,1155 2.728,1156 4.252,1157 2.777,1158 2.8,1159 2.883,1160 2.611,1161 2.665,1162 4.125,1163 2.641,1164 2.746,1165 2.837,1166 2.504,1167 2.55,1168 3.691,1169 2.522,1170 0.194,1171 0.135,1172 0.283,1173 0.174,1174 0.133,1175 4.653,1176 0.193,1177 3.241,1178 0.036,1179 6.788,1180 0.464,1181 4.181,1182 0.131,1183 3.201,1184 4.622,1185 0.86,1186 11.141,1187 3.139,1188 1.942,1189 1.923,1190 2.04,1191 2.03,1192 1.169,1193 2.029,1194 1.801,1195 1.771,1196 1.856,1197 1.972,1198 0.959,1199 1.938,1200 1.539,1201 1.504,1202 1.71,1203 1.714,1204 0.744,1205 1.715,1206 1.239,1207 1.197,1208 1.573,1209 1.514,1210 0.574,1211 1.532,1212 1.197,1213 1.123,1214 1.462,1215 1.489,1216 0.414,1217 1.485,1218 0.958,1219 0.88,1220 1.245,1221 1.356,1222 0.193,1223 1.33,1224 0.854,1225 0.762,1226 1.149,1227 1.22,1228 0.124,1229 1.214,1230 0.828,1231 0.737,1232 1.117,1233 1.016,1235 1.059,1236 3.892,1238 5.22,1239 2.398,1240 6.749,1241 4.727,1242 8.373,1243 6.843,1244 10.047,1246 3.638,1250 11.498,1254 5.382,1262 24.676,1263 61.421,1264 146.402,1265 171.911,1266 183.911,1267 185.911,1268 185.911,1269 28.819,1270 6.876,1271 100.19,1272 100.19,1273 17,1274 12.386,1275 4.17,1276 3.322,1277 34.416,1278 70,1279 62,1280 0.25,1281 153.818,1282 256.04,1283 367.076,1284 8121,1286 15.69,1287 0.713,1288 0.56,1289 15.69,1290 12.33,1291 10.597,1292 0.442,1293 0.28,1294 6.596,1295 10.12,1296 6.377,1297 5.356,1298 10.597,1299 6.717,1300 9.558,1301 0.281,1302 0.143,1303 9.558,1304 4.866,1305 8.031,1306 0.175,1307 0.074,1308 8.031,1309 3.411,1310 7.227,1311 0.117,1312 0.039,1313 7.227,1314 2.396,1315 5.191,1316 0.074,1317 0.02,1318 5.191,1319 1.431,1320 0.383,1321 66.997,1322 0.252,1323 21.388,1324 0.711,1325 116,1326 357.386,1327 128.915,1328 345.808,1329 480.36,1330 324,1331 138,1332 365.233,1333 150.639,1334 371.883,1335 542.93,1336 347,1337 4.992}
{0 CHEMBL60632,1 1.416,2 8.6,3 2.184,4 4.771,5 84.772,6 6.907,7 0.545,8 3.76,9 3.913,10 3.258,11 3.278,12 4.84,13 3.248,14 4.277,15 4.475,16 3.617,17 3.695,18 5.3,19 3.628,20 4.543,21 4.768,22 3.651,23 3.858,24 5.465,25 3.756,26 4.632,27 4.895,28 3.471,29 3.824,30 5.541,31 3.672,32 4.55,33 4.84,34 3.288,35 3.674,36 5.369,37 3.507,38 4.345,39 4.632,40 3.135,41 3.461,42 5.199,43 3.311,44 4.2,45 4.501,46 3.091,47 3.3,48 5.012,49 3.169,50 4.001,51 4.25,52 3.052,53 3.141,54 5.064,55 3.047,56 0.059,57 0.624,58 8.91,59 3.137,60 10.377,61 4.738,62 0.179,63 0.969,64 15.547,65 5.96,66 21.236,67 8.661,68 0.14,69 1.171,70 20.714,71 7.323,72 20.672,73 11.162,74 0.234,75 1.166,76 23.383,77 8.093,78 35.702,79 12.345,80 0.174,81 1.01,82 21.886,83 7.405,84 28.706,85 11.52,86 0.161,87 0.834,88 17.861,89 5.593,90 24.307,91 8.922,92 0.114,93 0.712,94 15.506,95 4.928,96 17.978,97 7.894,98 0.174,99 0.651,100 12.427,101 3.468,102 21.106,103 5.664,104 10,105 31,106 0.255,107 0.645,108 0.843,109 0.883,110 0.883,111 0.883,112 3.058,113 0.937,114 -4.01,115 -3.96,116 -3.75,119 38.5,120 1,121 2,122 1,125 1,139 3,140 3,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 9,169 1,170 2,172 3,173 3,175 4,178 11,180 1,182 2,187 4,189 10,191 1,193 2,195 1,196 1,197 1,198 4,200 2,201 8,204 2,205 1,207 4,212 4,215 5,218 3,221 4,226 4,229 2,231 3,234 2,239 3,243 3,246 4,249 2,250 1,251 4,253 1,256 4,265 1,270 1,273 454,274 13.378,275 13.378,276 13.378,277 13.378,278 13.378,279 11.85,280 22.694,281 7.799,282 13.621,283 10.849,284 10.849,285 10.849,286 10.849,287 10.849,288 8.539,289 32.777,290 3.714,291 11.243,292 3.87,293 1.701,294 0.603,295 0.378,296 0.378,297 0.378,298 3.738,300 1,301 1,302 1,303 371,304 2.121,307 155.297,311 81.201,314 1.24,315 14.314,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 42.5,327 172,328 4.363,329 3.268,330 6.479,331 4.041,332 3.052,333 3.986,334 0.68,335 10.073,336 3.02,337 4.224,338 3.07,339 6.089,340 3.823,341 2.862,342 3.858,343 0.4,344 8.847,345 2.758,346 3.633,347 2.548,348 5.274,349 3.305,350 2.333,351 2.956,353 6.725,354 2.271,355 3.384,356 2.204,357 5.032,358 3.002,359 2.05,360 2.682,362 5.715,363 1.951,364 3.164,365 2.145,366 4.916,367 2.906,368 1.943,369 2.3,371 5.62,372 1.856,373 2.824,374 1.634,375 4.143,376 2.413,377 1.458,378 1.953,380 3.694,381 1.393,382 2.586,383 1.504,384 4.037,385 2.33,386 1.379,387 1.6,389 3.428,390 1.306,391 2.189,392 0.984,393 3.372,394 1.905,395 0.923,396 1.137,398 2.151,399 0.905,400 1.637,401 0.65,402 3.063,403 1.357,404 0.403,405 0.479,407 0.981,408 0.383,409 1.147,410 0.096,411 2.452,412 0.888,413 -0.077,414 -0.088,415 -0.179,416 -0.074,417 0.799,418 -0.283,419 2.359,420 0.51,421 -0.458,422 -0.517,423 -1.103,424 -0.443,425 0.707,426 -0.314,427 2.315,428 0.392,429 -0.515,430 -0.621,431 -1.243,432 -0.467,433 0.62,434 -0.495,435 2.267,436 0.274,437 -0.711,438 -0.866,439 -2.029,440 -0.698,441 0.379,442 -0.815,443 2,444 0.049,445 -0.931,446 -1.176,448 -2.593,449 -0.91,450 0.039,451 -1.057,452 1.515,453 -0.289,454 -1.235,455 -1.469,457 -3.395,458 -1.162,459 9.5,460 0.475,461 0.541,462 0.027,463 26.5,464 1.325,465 13.5,466 0.675,467 13,468 0.65,469 14.929,470 0.746,471 21.7,472 0.556,473 16.518,474 0.826,475 4.923,476 0.246,477 4.708,478 0.235,479 0.137,481 0.368,485 1.196,486 1.232,487 0.914,488 0.978,489 1.294,490 0.921,491 0.556,492 0.962,493 0.829,494 1.01,495 0.408,496 0.963,497 0.934,498 1.18,499 1.031,500 1.151,501 0.758,502 1.111,503 0.857,504 0.999,505 1.119,506 1.155,507 0.854,508 1.168,509 0.793,510 0.976,511 0.961,512 1.035,513 0.782,514 1.022,515 1.003,516 1.004,517 1,518 1.001,519 0.991,520 1,521 0.696,522 1.025,523 0.688,524 0.87,525 0.681,526 0.793,527 1.085,528 1.302,529 1.12,530 1.233,531 1.24,532 1.189,533 4.5,534 0.025,535 2.444,536 1.313,537 1.36,538 0.326,539 0.404,540 0.314,541 0.107,542 0.129,543 3794,544 8814,545 2.077,546 48.7,547 6,548 5,550 1,551 5,553 2,555 1.616,556 1.935,557 3.09,558 2.819,560 1,562 1,564 55.207,565 1.416,566 3.584,567 4.683,568 4.907,569 4.907,570 4.907,571 2.504,572 4.122,573 4.298,574 3.194,575 606.95,576 7.331,577 6136,578 1,579 1,581 1,582 206.131,583 1.441,584 4.248,585 0.205,586 0.006,587 0.079,588 0.042,589 0.057,590 0.016,591 0.024,592 0.018,593 0.007,594 0.016,595 0.47,596 0.5,597 1,598 0.627,599 88.208,600 -0.182,601 0.035,602 0.017,603 0.105,604 -0.224,605 0.09,606 0.305,607 0.179,608 0.104,609 0.066,610 0.314,611 0.06,612 -0.099,613 -0.117,614 -0.094,615 -0.104,616 -0.034,617 -0.099,618 -0.015,619 -0.019,620 -0.167,621 -0.146,622 0.009,623 -0.171,624 -0.02,625 -0.076,626 -0.001,627 -0.035,628 0.013,629 -0.019,630 -0.084,631 -0.079,632 -0.026,633 -0.032,634 -0.065,635 -0.023,636 0.137,637 -0.152,638 0.291,639 0.107,640 0.151,641 0.201,642 0.203,643 -0.246,644 -0.121,645 -0.317,646 0.03,647 -0.269,648 1.45,649 1.891,650 0.8,651 13.37,652 0.992,653 1.138,654 2.78,655 7.731,656 0.65,657 3.135,658 3.466,659 3.714,660 3.951,661 4.19,662 4.143,663 4.22,664 4.331,665 4.419,666 4.357,667 5.07,668 0.61,669 269.39,670 3.135,671 4.673,672 5.517,673 6.392,674 7.252,675 8.127,676 8.993,677 9.868,678 10.737,679 11.611,680 12.8,684 2,685 1,690 2,695 4,696 2,700 6,702 12,711 2,712 1,718 39,719 12,720 1,721 22,723 41,724 15,725 10,726 3,727 3,729 3,730 4,734 1,736 1,737 1,739 2,741 10,742 5,743 1,753 1,754 1,757 19,758 5,759 5,760 5,764 5,769 0.667,776 1,781 3,785 1,802 2,806 1,810 20,811 2,816 3,817 1,820 1,836 10.333,837 6.983,838 4.333,839 2.307,840 2.293,841 1.34,842 1.008,843 3.49,844 9.038,845 3.367,846 3.97,847 4.505,848 5.032,849 5.566,850 5.649,851 5.912,852 6.28,853 6.62,854 6.844,855 0.833,856 31,857 7.354,859 3.094,860 7.617,861 14.286,863 11.891,865 2.117,866 42.333,867 0.001,870 164.795,871 70.017,872 117.376,877 70.017,878 164.795,879 117.376,880 8.825,881 7.175,882 94.223,883 63.353,884 21.361,885 4.227,886 153.024,888 164.795,889 187.393,893 141.253,894 23.542,897 26.946,898 108.865,899 51.582,901 164.795,902 117.376,903 70.017,906 164.795,907 23.715,908 46.301,909 18.011,910 99.365,911 164.795,912 117.376,913 70.017,915 0.588,916 0.342,917 0.18,918 0.1,919 16,920 7,921 0.049,922 2,923 1,924 1.125,925 3.242,926 150.723,927 0.125,928 16,929 86.439,933 13.191,934 5.291,935 2.732,937 117.376,938 8.231,939 8.017,943 5.434,945 83.805,946 352.188,947 28,956 38.694,957 44.398,958 0.268,959 0.678,960 0.886,961 0.928,962 0.928,963 0.928,964 4.605,965 0.923,966 5.509,967 3.428,968 4.143,969 4.654,970 0.809,971 6.304,972 4.08,973 5.81,974 0.403,975 7.062,976 2.151,977 3.761,978 4.477,980 7.154,981 3.68,982 7.115,983 -0.077,984 8.711,985 0.981,986 5.727,987 6.822,988 0.391,989 10.23,990 5.617,991 8.451,992 -0.458,993 10.413,994 -0.179,995 6.111,996 7.399,998 11.879,999 5.991,1000 9.816,1001 -0.515,1002 12.151,1003 -1.103,1004 7.577,1005 9.257,1006 0.187,1007 14.473,1008 7.432,1009 11.201,1010 -0.711,1011 13.912,1012 -1.243,1013 8.33,1014 10.197,1016 16.474,1017 8.177,1018 12.601,1019 -0.931,1020 15.692,1021 -2.029,1022 9.583,1023 11.833,1024 0.089,1025 18.885,1026 9.41,1027 3.052,1028 -1.235,1029 17.486,1030 -2.593,1031 10.516,1032 12.963,1034 21.046,1035 10.334,1036 2.862,1037 10.073,1038 19.29,1039 -3.395,1040 11.678,1041 14.482,1042 0.042,1043 23.384,1044 11.479,1045 2.333,1046 8.847,1047 21.104,1048 3.986,1049 12.697,1050 15.717,1052 25.618,1053 12.489,1054 2.05,1055 6.725,1056 22.925,1057 3.858,1058 13.821,1059 17.173,1060 0.019,1061 27.928,1062 13.598,1063 1.943,1064 5.715,1065 24.752,1066 2.956,1067 14.882,1068 18.466,1070 30.195,1071 14.649,1072 1.458,1073 5.62,1074 26.584,1075 2.682,1076 15.989,1077 19.886,1078 0.009,1079 32.496,1080 15.744,1081 1.379,1082 3.694,1083 28.421,1084 2.3,1085 17.071,1086 21.212,1088 34.78,1089 16.815,1090 3694,1091 5733,1092 14.622,1093 25.358,1094 33.102,1095 33.038,1096 34.083,1097 32.819,1098 32.806,1099 41.903,1100 2.16,1101 94.465,1102 31.683,1103 5.308,1104 5.268,1105 6.024,1106 5.11,1107 5.052,1108 6.986,1109 1.36,1110 16.757,1111 5.02,1112 9.379,1113 1.505,1114 1.502,1115 1.549,1116 1.492,1117 1.491,1118 1.905,1119 0.098,1120 4.294,1121 1.44,1122 4.033,1123 4.07,1124 3.973,1125 3.96,1126 5.291,1127 3.958,1128 3.847,1129 3.904,1130 3.803,1131 3.691,1132 4.979,1133 3.71,1134 3.552,1135 3.612,1136 3.421,1137 3.427,1138 4.752,1139 3.419,1140 3.238,1141 3.334,1142 3.079,1143 3.033,1144 4.445,1145 3.032,1146 3.151,1147 3.251,1148 2.991,1149 2.935,1150 4.168,1151 2.935,1152 2.985,1153 3.106,1154 2.82,1155 2.682,1156 3.932,1157 2.7,1158 2.82,1159 2.923,1160 2.643,1161 2.616,1162 3.746,1163 2.606,1164 2.736,1165 2.819,1166 2.561,1167 2.549,1168 3.618,1169 2.56,1170 0.198,1171 0.149,1172 0.295,1173 0.184,1174 0.139,1175 4.363,1176 0.181,1177 3.268,1178 0.031,1179 6.479,1180 0.458,1181 4.041,1182 0.137,1183 3.052,1184 3.986,1185 0.68,1186 10.073,1187 3.02,1188 2.002,1189 1.973,1190 2.12,1191 2.101,1192 1.39,1193 2.109,1194 1.782,1195 1.735,1196 1.91,1197 1.971,1198 1.132,1199 1.95,1200 1.551,1201 1.495,1202 1.737,1203 1.713,1204 0.82,1205 1.733,1206 1.23,1207 1.138,1208 1.572,1209 1.491,1210 0.731,1211 1.523,1212 1.111,1213 1.03,1214 1.367,1215 1.399,1216 0.392,1217 1.396,1218 0.901,1219 0.79,1220 1.23,1221 1.271,1222 0.251,1223 1.279,1224 0.809,1225 0.72,1226 1.137,1227 1.087,1228 0.116,1229 1.11,1230 0.733,1231 0.646,1232 1.055,1233 0.974,1235 1.015,1236 3.807,1238 5.13,1240 6.655,1242 8.274,1244 9.938,1246 2.268,1250 11.411,1252 2.946,1253 3.437,1256 0.589,1262 23.795,1263 55.207,1264 139.792,1265 182.621,1266 191.376,1267 191.376,1268 191.376,1269 24.894,1270 6.744,1271 89.85,1272 89.85,1273 18,1274 12.152,1275 3.7,1276 2.807,1277 30.021,1278 61,1279 58,1280 0.247,1281 148.882,1282 248.34,1283 355.033,1284 6915,1286 14.113,1287 0.706,1288 0.578,1289 14.113,1290 11.557,1291 9.631,1292 0.438,1293 0.312,1294 6.797,1295 9.355,1296 6.604,1297 5.504,1298 9.631,1299 6.868,1300 8.902,1301 0.287,1302 0.173,1303 8.902,1304 5.354,1305 7.367,1306 0.184,1307 0.096,1308 7.367,1309 3.851,1310 6.051,1311 0.119,1312 0.052,1313 6.051,1314 2.66,1315 4.978,1316 0.077,1317 0.029,1318 4.978,1319 1.908,1320 0.38,1321 59.68,1322 0.262,1323 19.798,1324 0.692,1325 106,1326 250.248,1327 113.771,1328 254.376,1329 356.86,1330 238,1331 124,1332 273.662,1333 131.161,1334 281.691,1335 408.33,1336 265,1337 4.658}
{0 CHEMBL60636,1 1.534,2 9.182,3 3.226,4 10.408,5 93.995,6 7.568,7 0.5,8 3.832,9 3.978,10 3.402,11 3.372,12 4.916,13 3.336,14 4.361,15 4.553,16 3.813,17 3.801,18 5.396,19 3.732,20 4.648,21 4.86,22 3.921,23 3.992,24 5.617,25 3.891,26 4.773,27 5.03,28 3.856,29 4.012,30 5.692,31 3.86,32 4.691,33 4.94,34 3.746,35 3.923,36 5.62,37 3.751,38 4.571,39 4.837,40 3.475,41 3.721,42 5.485,43 3.537,44 4.335,45 4.624,46 3.511,47 3.455,48 5.274,49 3.326,50 4.07,51 4.288,52 3.251,53 3.291,54 5.169,55 3.188,56 0.051,57 0.651,58 8.991,59 3.461,60 10.991,61 4.999,62 0.163,63 1.021,64 16.892,65 6.635,66 22.569,67 9.372,68 0.204,69 1.254,70 24.871,71 8.293,72 25.907,73 12.108,74 0.269,75 1.273,76 30.23,77 10.06,78 42.083,79 14.505,80 0.237,81 1.106,82 31.962,83 9.629,84 37.658,85 13.599,86 0.291,87 0.93,88 31.669,89 8.241,90 39.131,91 11.731,92 0.249,93 0.755,94 22.171,95 6.076,96 31.81,97 9.262,98 0.18,99 0.688,100 14.834,101 4.173,102 22.505,103 6.164,104 26,105 35,106 0.272,107 0.651,108 0.831,109 0.882,110 0.882,111 0.882,112 3.147,113 0.972,114 -4.77,115 -4.68,116 -4.4,119 38.1,120 2,121 2,122 1,127 1,139 2,140 3,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 2,172 3,173 3,175 4,178 11,180 1,182 2,187 5,189 10,191 1,193 2,195 1,196 1,197 1,198 4,200 2,201 10,204 2,205 1,207 4,212 4,215 11,218 3,221 2,226 3,229 3,231 2,234 4,239 4,241 1,243 4,246 4,249 2,250 1,251 3,253 1,254 1,256 3,265 2,270 2,273 584,274 14.326,275 14.326,276 14.326,277 14.326,278 14.326,279 12.745,280 24.209,281 8.196,282 14.679,283 11.833,284 11.833,285 11.833,286 11.833,287 11.833,288 9.442,289 37.115,290 3.923,291 12.463,292 3.858,293 1.718,294 0.703,295 0.417,296 0.417,297 0.417,298 3.822,299 1,300 1,301 1,302 1,303 430,304 2.345,307 173.28,311 90.739,314 1.289,315 18.788,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 46.833,327 202,328 4.478,329 3.435,330 6.678,331 4.138,332 3.168,333 4.137,334 0.68,335 10.754,336 3.073,337 4.234,338 3.083,339 6.09,340 3.831,341 2.87,342 3.877,343 0.4,344 8.857,345 2.764,346 3.672,347 2.772,348 5.566,349 3.4,350 2.436,351 2.972,353 7.138,354 2.341,355 3.499,356 2.543,357 5.303,358 3.158,359 2.228,360 2.747,362 6.708,363 2.037,364 3.37,365 2.302,366 4.995,367 3.054,368 2.1,369 2.652,371 5.883,372 2.003,373 3.124,374 2.122,375 4.906,376 2.899,377 1.941,378 2.173,380 5.567,381 1.846,382 2.82,383 1.712,384 4.333,385 2.352,386 1.418,387 1.948,389 3.849,390 1.318,391 2.566,392 1.548,393 4.128,394 2.293,395 1.37,396 1.574,398 3.629,399 1.207,400 1.696,401 0.712,402 3.251,403 1.425,404 0.474,405 0.556,407 1.226,408 0.444,409 1.382,410 0.515,411 2.819,412 1.081,413 0.171,414 0.197,415 0.419,416 0.146,417 0.895,418 -0.007,419 2.71,420 0.563,421 -0.407,422 -0.453,423 -1.109,424 -0.329,425 0.799,426 -0.298,427 2.545,428 0.408,429 -0.498,430 -0.571,431 -1.235,432 -0.434,433 0.662,434 -0.314,435 2.359,436 0.386,437 -0.514,438 -0.621,439 -1.244,440 -0.466,441 0.551,442 -0.384,443 2.203,444 0.379,445 -0.581,446 -0.684,448 -1.586,449 -0.564,450 0.26,451 -0.773,452 1.839,453 0.039,454 -0.914,455 -1.027,457 -2.53,458 -0.862,459 10.714,460 0.487,461 0.736,462 0.033,463 27.75,464 1.261,465 13.5,466 0.614,467 14.25,468 0.648,469 19.691,470 0.895,471 24.086,472 0.573,473 17.812,474 0.81,475 4.983,476 0.226,477 5.453,478 0.248,479 0.235,481 0.42,485 0.988,486 1.24,487 0.699,488 0.899,489 1.143,490 0.887,491 0.517,492 0.999,493 0.628,494 0.904,495 0.383,496 0.885,497 0.925,498 1.173,499 0.919,500 1.085,501 0.781,502 1.081,503 0.827,504 0.93,505 0.906,506 0.979,507 0.809,508 1.019,509 1.13,510 1.042,511 1.338,512 1.184,513 1.027,514 1.15,515 1.428,516 0.958,517 1.635,518 1.205,519 1.349,520 1.132,521 0.476,522 0.997,523 0.679,524 0.886,525 0.464,526 0.753,527 1.191,528 1.38,529 1.246,530 1.343,531 1.334,532 1.31,533 6,534 0.033,535 2.667,536 1.938,537 1.942,538 0.472,539 0.607,540 0.354,541 0.193,542 0.189,543 4660,544 12200,545 2.017,546 47.6,547 6,548 3,550 1,551 5,553 5,555 1.645,556 1.833,557 3.147,558 2.734,559 1,560 1,562 1,564 64.429,565 1.534,566 3.675,567 4.69,568 4.975,569 4.975,570 4.975,571 2.613,572 4.187,573 4.433,574 3.266,575 754.412,576 7.616,577 8088.44,578 1,579 1,581 1,582 226.477,583 1.544,584 4.36,585 0.25,586 0.005,587 0.076,588 0.054,589 0.063,590 0.018,591 0.03,592 0.017,593 0.011,594 0.017,595 0.541,596 0.17,597 1,598 0.688,599 100.14,600 -0.156,601 0.038,603 0.097,604 -0.221,605 0.082,606 0.243,607 0.145,608 0.131,609 0.105,610 0.301,611 0.11,612 -0.056,613 -0.087,614 -0.051,615 -0.087,616 -0.038,617 -0.097,618 0.011,619 0.039,620 0.021,621 0.022,622 0.036,623 -0.019,624 -0.128,625 -0.116,626 -0.128,627 -0.122,628 -0.076,629 -0.127,630 -0.228,631 -0.078,632 -0.251,633 -0.148,634 -0.231,635 -0.12,636 0.437,637 -0.137,638 0.362,639 0.11,640 0.425,641 0.255,642 0.012,643 -0.281,644 -0.253,645 -0.407,646 -0.126,647 -0.389,648 1.475,649 2.353,650 0.727,651 15.636,652 0.998,653 1.137,654 3.541,655 12.539,656 0.666,657 3.219,658 3.584,659 3.829,660 4.111,661 4.357,662 4.357,663 4.454,664 4.5,665 4.654,666 4.595,667 5.283,668 0.623,669 317.86,670 3.219,671 4.779,672 5.631,673 6.526,674 7.397,675 8.292,676 9.171,677 10.064,678 10.948,679 11.841,680 11.9,684 2,685 1,690 2,695 3,696 2,700 7,702 12,711 2,712 1,717 1,718 42,719 12,720 1,721 24,723 44,724 16,725 10,726 4,727 2,729 3,730 4,731 1,734 2,736 2,737 1,739 3,741 10,742 6,743 1,753 1,754 1,757 20,758 5,759 5,760 6,761 1,764 5,769 0.667,776 1,781 3,785 1,802 2,806 2,807 1,810 22,811 2,816 2,817 1,820 2,828 1,836 12,837 7.876,838 4.694,839 2.502,840 2.277,841 1.328,842 0.987,843 4.149,844 9.222,845 3.434,846 4.06,847 4.59,848 5.142,849 5.671,850 5.816,851 6.085,852 6.419,853 6.804,854 7.012,855 1,856 36,857 8.092,859 3.431,860 7.679,861 15.603,863 13.057,865 2.179,866 47.944,869 1,870 176.567,871 70.76,872 117.376,873 39.149,877 70.76,878 215.715,879 117.376,880 17.65,881 5.069,882 84.747,883 63.353,884 24.861,885 4.227,886 164.795,887 39.149,888 176.567,889 188.137,891 39.149,893 117.711,894 58.856,897 33.666,898 102.889,899 90.73,901 176.567,902 117.376,903 109.909,906 176.567,907 25.11,908 45.65,909 18.011,910 138.514,911 176.567,912 117.376,913 109.909,915 0.598,916 0.345,917 0.188,918 0.107,919 18,920 9,921 0.045,922 2,923 1,924 1.125,925 3.322,926 175.334,927 0.125,928 16,929 98.107,933 15.379,934 5.935,935 3.158,937 117.376,938 5.85,939 8.016,943 5.634,945 83.805,946 403.852,947 30,956 41.902,957 47.757,958 0.284,959 0.681,960 0.87,961 0.923,962 0.923,963 0.923,964 4.7,965 1.37,966 5.652,967 3.849,968 4.263,969 4.745,970 0.809,971 6.482,972 4.167,973 5.926,974 0.474,975 7.229,976 3.629,977 4.007,978 4.677,980 7.38,981 3.859,982 7.245,983 0.171,984 8.898,985 1.226,986 5.883,987 6.93,988 0.391,989 10.478,990 5.721,991 8.593,992 -0.407,993 10.617,994 0.419,995 6.347,996 7.587,998 12.155,999 6.139,1000 9.968,1001 -0.498,1002 12.369,1003 -1.109,1004 7.768,1005 9.394,1006 0.187,1007 14.799,1008 7.546,1009 11.362,1010 -0.514,1011 14.144,1012 -1.235,1013 8.577,1014 10.403,1016 16.845,1017 8.316,1018 12.772,1019 -0.581,1020 15.938,1021 -1.244,1022 9.816,1023 12.013,1024 0.089,1025 19.315,1026 9.537,1027 3.168,1028 -0.914,1029 17.746,1030 -1.586,1031 10.795,1032 13.205,1034 21.536,1035 10.481,1036 2.87,1037 10.754,1038 19.566,1039 -2.53,1040 11.963,1041 14.717,1042 0.042,1043 23.938,1044 11.627,1045 2.436,1046 8.857,1047 21.397,1048 4.137,1049 13.023,1050 16.006,1052 26.239,1053 12.655,1054 2.228,1055 7.138,1056 23.237,1057 3.877,1058 14.166,1059 17.468,1060 0.019,1061 28.618,1062 13.772,1063 2.1,1064 6.708,1065 25.085,1066 2.972,1067 15.265,1068 18.81,1070 30.956,1071 14.841,1072 1.941,1073 5.883,1074 26.939,1075 2.747,1076 16.401,1077 20.244,1078 0.009,1079 33.327,1080 15.949,1081 1.418,1082 5.567,1083 28.799,1084 2.652,1085 17.52,1086 21.615,1088 35.682,1089 17.038,1090 4597,1091 7557,1092 15.433,1093 27.978,1094 36.683,1095 37.154,1096 38.002,1097 36.43,1098 36.352,1099 45.667,1100 2.16,1101 108.06,1102 34.361,1103 5.425,1104 5.435,1105 5.982,1106 5.207,1107 5.168,1108 7.137,1109 1.36,1110 17.908,1111 5.073,1112 12.838,1113 1.528,1114 1.548,1115 1.583,1116 1.518,1117 1.515,1118 1.903,1119 0.09,1120 4.503,1121 1.432,1122 4.043,1123 4.076,1124 4.075,1125 3.976,1126 5.291,1127 3.973,1128 3.852,1129 3.909,1130 3.824,1131 3.697,1132 4.98,1133 3.716,1134 3.597,1135 3.651,1136 3.583,1137 3.48,1138 4.924,1139 3.472,1140 3.326,1141 3.414,1142 3.339,1143 3.159,1144 4.459,1145 3.139,1146 3.188,1147 3.273,1148 3.102,1149 3.005,1150 4.401,1151 3.01,1152 3.005,1153 3.123,1154 2.955,1155 2.72,1156 4.172,1157 2.733,1158 2.845,1159 2.952,1160 2.801,1161 2.639,1162 3.908,1163 2.63,1164 2.8,1165 2.898,1166 2.659,1167 2.567,1168 3.745,1169 2.581,1170 0.187,1171 0.143,1172 0.278,1173 0.172,1174 0.132,1175 4.478,1176 0.172,1177 3.435,1178 0.028,1179 6.678,1180 0.448,1181 4.138,1182 0.128,1183 3.168,1184 4.137,1185 0.68,1186 10.754,1187 3.073,1188 2.004,1189 1.979,1190 2.111,1191 2.099,1192 1.408,1193 2.107,1194 1.79,1195 1.742,1196 1.921,1197 1.975,1198 1.145,1199 1.956,1200 1.585,1201 1.535,1202 1.743,1203 1.737,1204 0.881,1205 1.754,1206 1.346,1207 1.263,1208 1.67,1209 1.568,1210 0.781,1211 1.611,1212 1.132,1213 1.063,1214 1.363,1215 1.406,1216 0.428,1217 1.402,1218 0.909,1219 0.802,1220 1.284,1221 1.283,1222 0.378,1223 1.288,1224 0.832,1225 0.736,1226 1.218,1227 1.137,1228 0.143,1229 1.187,1230 0.791,1231 0.69,1232 1.077,1233 1.069,1234 0.028,1235 1.093,1236 3.892,1238 5.242,1240 6.783,1242 8.421,1244 10.109,1246 4.41,1247 6.464,1250 11.45,1252 1.737,1253 3.471,1256 0.913,1262 26.149,1263 64.429,1264 154.338,1265 196.968,1266 208.968,1267 208.968,1268 208.968,1269 33.377,1270 6.945,1271 89.85,1272 89.85,1273 18,1274 12.37,1275 3.7,1276 2.807,1277 34.471,1278 70,1279 70,1280 0.249,1281 166.808,1282 280.85,1283 398.771,1284 8602,1285 2.4,1286 15.853,1287 0.721,1288 0.613,1289 16.353,1290 13.484,1291 10.436,1292 0.435,1293 0.324,1294 7.356,1295 9.873,1296 7.064,1297 5.892,1298 10.724,1299 7.772,1300 10.088,1301 0.288,1302 0.184,1303 10.458,1304 6.447,1305 8.016,1306 0.178,1307 0.098,1308 8.348,1309 4.419,1310 6.909,1311 0.115,1312 0.056,1313 7.267,1314 3.386,1315 5.612,1316 0.073,1317 0.031,1318 5.958,1319 2.387,1320 0.382,1321 67.637,1322 0.255,1323 21.409,1324 0.705,1325 118,1326 290.451,1327 141.623,1328 323.326,1329 438.93,1330 300,1331 139,1332 310.806,1333 158.529,1334 329.414,1335 480.02,1336 309,1337 4.387}
{0 CHEMBL606362,1 1.518,2 8.8,3 3.812,4 14.528,5 100.277,6 6.948,7 0.593,8 3.979,9 4.11,10 3.478,11 3.47,12 5.087,13 3.449,14 4.503,15 4.688,16 3.832,17 3.864,18 5.54,19 3.814,20 4.716,21 4.922,22 3.885,23 4.022,24 5.648,25 3.941,26 4.899,27 5.133,28 3.939,29 4.103,30 5.847,31 3.998,32 4.95,33 5.178,34 3.829,35 4.149,36 5.837,37 4.025,38 5.003,39 5.264,40 3.871,41 4.159,42 5.832,43 4.021,44 4.965,45 5.211,46 3.856,47 4.063,48 5.904,49 3.951,50 4.87,51 5.136,52 3.642,53 3.861,54 5.857,55 3.727,56 0.044,57 0.715,58 11.107,59 4.361,60 13.061,61 6.044,62 0.281,63 1.098,64 20.003,65 7.785,66 30.913,67 10.597,68 0.134,69 1.333,70 24.672,71 9.193,72 22.919,73 13.259,74 0.423,75 1.469,76 30.829,77 11.235,78 50.231,79 16.072,80 0.384,81 1.544,82 32.489,83 11.295,84 47.72,85 16.182,86 0.242,87 1.568,88 34.382,89 12.674,90 38.854,91 18.442,92 0.466,93 1.483,94 33.774,95 10.905,96 52.668,97 15.98,98 0.485,99 1.326,100 31.186,101 9.023,102 56.918,103 14.05,104 31,105 38,106 0.258,107 0.628,108 0.801,109 0.843,110 0.849,111 0.849,112 3.268,113 0.935,114 -4.93,115 -4.84,116 -4.54,119 38.8,120 2,121 2,122 2,124 1,139 4,140 3,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 12,169 2,170 6,172 3,173 3,175 1,178 14,180 1,182 6,187 1,189 13,191 1,192 1,193 6,195 3,196 3,197 1,198 2,200 2,201 14,204 2,205 1,207 6,212 2,215 12,218 2,221 9,226 3,229 10,231 3,233 1,234 8,239 3,241 3,243 3,245 2,246 9,248 1,249 1,251 6,256 6,260 2,265 3,270 3,273 896,274 16.662,275 16.662,276 16.662,277 16.662,278 16.662,279 14.709,280 16.074,281 9.78,282 17.012,283 13.281,284 13.281,285 13.281,286 13.281,287 13.281,288 10.312,289 16.969,290 4.552,291 13.759,292 4.097,293 1.923,294 0.903,295 0.658,296 0.618,297 0.618,298 3.944,300 1,301 1,302 1,303 461,304 3.536,306 54.054,307 150.332,310 101.423,314 1.2,315 21.251,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54,327 220,328 4.642,329 3.347,330 6.79,331 4.186,332 3.206,333 4.609,334 0.86,335 11.155,336 3.146,337 4.292,338 3.201,339 6.5,340 3.979,341 2.999,342 3.862,344 10.182,345 2.941,346 3.718,347 2.598,348 5.418,349 3.345,350 2.387,351 3.159,353 6.977,354 2.298,355 3.433,356 2.385,357 5.182,358 3.211,359 2.254,360 2.792,362 6.285,363 2.146,364 3.391,365 2.067,366 5.063,367 2.926,368 1.981,369 2.535,371 5.788,372 1.874,373 3.056,374 2.038,375 4.74,376 2.862,377 1.891,378 2.177,380 4.99,381 1.824,382 2.921,383 1.865,384 4.518,385 2.571,386 1.606,387 2.088,389 4.5,390 1.547,391 2.916,392 1.589,393 3.881,394 2.458,395 1.484,396 2.016,398 3.195,399 1.436,400 2.372,401 1.019,402 3.592,403 2.013,404 1.016,405 1.333,407 2.574,408 1.013,409 2.239,410 0.936,411 3.577,412 1.796,413 0.816,414 1.145,415 2.068,416 0.798,417 1.63,418 0.852,419 2.862,420 1.349,421 0.471,422 0.531,423 0.725,424 0.409,425 1.185,426 0.182,427 2.701,428 0.931,429 -0.038,430 -0.043,431 -0.103,432 -0.036,433 0.981,434 -0.154,435 2.652,436 0.596,437 -0.349,438 -0.432,439 -0.93,440 -0.328,441 0.766,442 -0.264,443 2.296,444 0.48,445 -0.472,446 -0.56,448 -1.035,449 -0.445,450 0.672,451 -0.373,452 2.239,453 0.354,454 -0.574,455 -0.68,457 -1.348,458 -0.531,459 11.767,460 0.471,461 0.682,462 0.027,463 31.5,464 1.26,465 15.5,466 0.62,467 16,468 0.64,469 22.63,470 0.905,471 27.833,472 0.568,473 22.416,474 0.897,475 5.927,476 0.237,477 6.064,478 0.243,479 0.195,481 0.382,485 0.994,486 1.274,487 0.883,488 1.129,489 1.176,490 1.001,491 0.85,492 0.872,493 0.799,494 0.942,495 0.552,496 0.891,497 0.817,498 1.23,499 0.946,500 1.186,501 0.776,502 1.098,503 0.743,504 0.976,505 0.875,506 1.04,507 0.583,508 1.001,509 1.258,510 0.994,511 1.233,512 1.099,513 1.218,514 1.158,515 0.709,516 1.013,517 0.871,518 1.076,519 0.645,520 1.016,521 1.194,522 1.053,523 1.037,524 1.043,525 1.03,526 1.028,527 1.108,528 1.202,529 1.081,530 1.104,531 0.986,532 1.098,533 5.5,534 0.054,535 2.667,536 2.347,537 1.307,538 1.104,539 0.628,540 0.628,541 0.245,542 0.195,543 6166,544 15567,545 2.015,546 49,547 12,548 7,549 1,551 4,555 1.688,556 1.852,557 3.084,558 1.736,560 1,564 74.371,565 1.518,566 3.692,567 4.711,568 4.956,569 4.997,570 4.997,571 2.478,572 4.484,573 4.619,574 3.243,575 972.869,576 8.026,577 11622.3,579 1,581 1,582 275.121,583 1.516,584 4.555,585 0.204,586 0.008,587 0.07,588 0.06,589 0.033,590 0.032,591 0.017,592 0.018,593 0.009,594 0.014,595 0.464,597 1,598 1.127,599 118.358,600 -0.082,601 -0.021,602 0.036,603 -0.002,604 -0.165,605 0.037,606 0.176,607 0.231,608 0.155,609 0.137,610 0.282,611 0.131,612 -0.027,613 -0.148,614 -0.015,615 -0.119,616 -0.025,617 -0.071,618 0.19,619 0.008,620 0.086,621 -0.006,622 0.263,623 0.013,624 -0.224,625 0.018,626 -0.266,627 -0.079,628 -0.282,629 -0.164,630 0.035,631 -0.083,632 0.075,633 -0.043,634 0.048,635 0.014,636 -0.022,637 -0.109,638 -0.039,639 -0.06,640 -0.064,641 -0.053,642 0.047,643 -0.266,644 -0.071,645 -0.177,646 0.086,647 -0.154,648 1.547,649 2.067,650 0.6,651 18.326,652 0.998,653 1.134,654 3.703,655 13.714,656 0.644,657 3.332,658 3.664,659 3.932,660 4.248,661 4.407,662 4.5,663 4.564,664 4.644,665 4.644,666 4.595,667 5.426,668 0.608,669 340.47,670 3.332,671 4.875,672 5.727,673 6.621,674 7.495,675 8.396,676 9.279,677 10.182,678 11.069,679 11.974,680 8.2,684 2,690 2,694 2,695 5,696 2,698 1,700 5,702 16,711 2,716 1,718 49,719 16,720 1,721 27,723 51,724 19,725 12,726 2,727 4,729 3,730 4,734 2,739 2,741 12,742 7,743 2,754 1,756 1,757 24,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,802 2,806 3,810 25,811 2,816 2,818 1,820 2,829 4.1,834 2,836 13.5,837 9.483,838 5.556,839 2.881,840 3.017,841 1.429,842 0.963,843 5.256,844 10.056,845 3.584,846 4.216,847 4.829,848 5.458,849 5.924,850 6.211,851 6.531,852 6.884,853 7.013,854 7.192,855 0.833,856 39,857 9.198,859 3.821,860 7.673,861 17.668,863 14.34,865 2.173,866 54.333,868 1,869 1,870 235.422,871 106.069,872 99.365,874 20.507,877 106.069,878 255.929,879 99.365,880 28.533,881 5.069,882 115.439,883 37.978,884 34.695,885 15.998,886 223.651,888 235.422,889 205.434,890 20.507,893 235.422,894 20.507,897 29.026,898 142.837,899 33.571,901 235.422,902 119.873,903 106.069,906 235.422,907 27.891,908 78.178,910 119.873,911 235.422,912 119.873,913 106.069,915 0.578,916 0.335,917 0.198,918 0.106,919 18,920 9,921 0.118,922 6,923 1,924 1.133,925 3.535,926 209.573,927 0.133,928 15,929 114.096,933 17.711,934 7.42,935 3.778,936 1.182,937 119.873,938 9.839,939 8.196,941 5.567,943 3.547,945 65.794,946 461.364,947 35,956 48.898,957 55.564,958 0.27,959 0.658,960 0.839,961 0.883,962 0.89,963 0.89,964 4.82,965 1.484,966 5.727,967 4.5,968 4.344,969 4.902,970 0.908,971 6.564,972 4.282,973 6.04,974 1.016,975 7.3,976 3.195,977 4.007,978 4.796,980 7.529,981 3.921,982 7.358,983 0.816,984 8.975,985 2.574,986 5.953,987 7.163,988 0.739,989 10.652,990 5.846,991 8.714,992 0.471,993 10.71,994 2.068,995 6.415,996 7.907,998 12.467,999 6.289,1000 10.104,1001 -0.038,1002 12.484,1003 0.725,1004 7.864,1005 9.769,1006 0.593,1007 15.115,1008 7.723,1009 11.52,1010 -0.349,1011 14.288,1012 -0.103,1013 8.701,1014 10.923,1016 17.277,1017 8.544,1018 12.957,1019 -0.472,1020 16.113,1021 -0.93,1022 9.957,1023 12.578,1024 0.469,1025 19.76,1026 9.786,1027 3.206,1028 -0.574,1029 17.954,1030 -1.035,1031 10.967,1032 13.928,1034 22.06,1035 10.779,1036 2.999,1037 11.155,1038 19.809,1039 -1.348,1040 12.15,1041 15.498,1042 0.366,1043 24.484,1044 11.947,1045 2.387,1046 10.182,1047 21.673,1048 4.609,1049 13.236,1050 16.939,1052 26.839,1053 13.016,1054 2.254,1055 6.977,1056 23.546,1057 3.862,1058 14.393,1059 18.475,1060 0.283,1061 29.242,1062 14.157,1063 1.981,1064 6.285,1065 25.425,1066 3.159,1067 15.513,1068 19.959,1070 31.619,1071 15.259,1072 1.891,1073 5.788,1074 27.308,1075 2.792,1076 16.662,1077 21.484,1078 0.217,1079 34.016,1080 16.391,1081 1.606,1082 4.99,1083 29.196,1084 2.535,1085 17.798,1086 22.988,1088 36.404,1089 17.509,1090 6144,1091 9930,1092 17.512,1093 31.546,1094 40.703,1095 40.707,1096 42.32,1097 40.208,1098 40.218,1099 52.491,1100 1.72,1101 116.878,1102 38.865,1103 5.515,1104 5.347,1105 6.482,1106 5.257,1107 5.206,1108 7.609,1109 1.72,1110 18.114,1111 5.146,1112 14.107,1113 1.508,1114 1.508,1115 1.567,1116 1.489,1117 1.49,1118 1.944,1119 0.064,1120 4.329,1121 1.439,1122 4.102,1123 4.123,1124 4.076,1125 3.977,1126 5.362,1127 3.993,1128 3.932,1129 3.957,1130 3.875,1131 3.838,1132 4.984,1133 3.848,1134 3.686,1135 3.745,1136 3.537,1137 3.57,1138 4.946,1139 3.554,1140 3.445,1141 3.516,1142 3.354,1143 3.256,1144 4.856,1145 3.264,1146 3.249,1147 3.315,1148 3.086,1149 3.016,1150 4.39,1151 3.031,1152 3.226,1153 3.289,1154 3.06,1155 2.963,1156 4.243,1157 2.973,1158 3.078,1159 3.197,1160 2.953,1161 2.728,1162 4.139,1163 2.778,1164 2.874,1165 3.009,1166 2.617,1167 2.657,1168 3.907,1169 2.635,1170 0.172,1171 0.124,1172 0.251,1173 0.155,1174 0.119,1175 4.642,1176 0.171,1177 3.347,1178 0.032,1179 6.79,1180 0.413,1181 4.186,1182 0.117,1183 3.206,1184 4.609,1185 0.86,1186 11.155,1187 3.146,1188 1.958,1189 1.933,1190 2.091,1191 2.054,1192 1.418,1193 2.065,1194 1.808,1195 1.777,1196 1.936,1197 1.98,1198 1.114,1199 1.943,1200 1.704,1201 1.648,1202 1.862,1203 1.86,1204 1.009,1205 1.888,1206 1.483,1207 1.442,1208 1.667,1209 1.692,1210 0.757,1211 1.69,1212 1.198,1213 1.131,1214 1.573,1215 1.513,1216 0.574,1217 1.533,1218 1.169,1219 1.113,1220 1.417,1221 1.42,1222 0.48,1223 1.416,1224 0.958,1225 0.88,1226 1.406,1227 1.356,1228 0.469,1229 1.328,1230 0.934,1231 0.804,1232 1.245,1233 1.239,1234 0.219,1235 1.308,1236 4.007,1238 5.333,1239 2.398,1240 6.849,1241 4.727,1242 8.463,1243 6.843,1244 10.13,1246 6.134,1250 11.71,1252 1.784,1254 5.565,1256 0.811,1262 29.783,1263 74.371,1264 180.908,1265 230.856,1266 242.856,1267 244.856,1268 244.856,1269 41.551,1270 7.039,1271 100.19,1272 100.19,1273 17,1274 12.496,1275 4.087,1276 3.17,1277 41.405,1278 80,1279 81,1280 0.254,1281 185.523,1282 310.58,1283 444.435,1284 9507,1286 17.974,1287 0.719,1288 0.593,1289 17.974,1290 14.821,1291 11.99,1292 0.444,1293 0.312,1294 8.291,1295 11.514,1296 7.982,1297 6.736,1298 11.99,1299 8.412,1300 10.971,1301 0.289,1302 0.176,1303 10.971,1304 6.681,1305 8.611,1306 0.172,1307 0.087,1308 8.611,1309 4.356,1310 7.886,1311 0.114,1312 0.049,1313 7.886,1314 3.355,1315 5.853,1316 0.072,1317 0.027,1318 5.853,1319 2.189,1320 0.385,1321 75.36,1322 0.239,1323 23.709,1324 0.739,1325 130,1326 359.386,1327 142.915,1328 347.923,1329 482.35,1330 326,1331 153,1332 365.233,1333 165.639,1334 371.9,1335 542.72,1336 347,1337 4.406}
{0 CHEMBL607583,1 1.434,2 9.35,3 2.858,4 8.169,5 82.361,6 7.226,7 0.727,8 3.715,9 3.863,10 3.252,11 3.249,12 4.843,13 3.228,14 4.195,15 4.378,16 3.589,17 3.64,18 5.288,19 3.579,20 4.422,21 4.653,22 3.552,23 3.714,24 5.362,25 3.621,26 4.442,27 4.688,28 3.468,29 3.659,30 5.435,31 3.536,32 4.45,33 4.733,34 3.137,35 3.539,36 5.343,37 3.386,38 4.318,39 4.63,40 2.997,41 3.396,42 5.068,43 3.223,44 4.027,45 4.295,46 3.015,47 3.24,48 4.946,49 3.129,50 3.939,51 4.194,52 3.024,53 3.159,54 4.933,55 3.066,56 0.054,57 0.597,58 7.957,59 2.879,60 9.83,61 4.175,62 0.172,63 0.912,64 13.504,65 5.498,66 19.613,67 7.726,68 0.119,69 1.038,70 18.049,71 6.32,72 17.308,73 9.503,74 0.22,75 1.027,76 18.772,77 6.804,78 28.675,79 10.051,80 0.255,81 0.958,82 20.008,83 5.641,84 35.019,85 8.961,86 0.169,87 0.783,88 17.998,89 5.932,90 23.782,91 9.172,92 0.12,93 0.65,94 12.737,95 4.138,96 18.333,97 6.354,98 0.082,99 0.612,100 11.437,101 3.73,102 15.627,103 5.764,104 5,105 30,106 0.258,107 0.635,108 0.751,109 0.817,110 0.85,111 0.85,112 3.057,113 0.909,114 -4.47,115 -4.4,116 -4.15,119 40.5,121 3,139 5,140 3,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 11,169 1,170 2,172 3,173 4,175 3,178 12,180 1,182 2,187 2,189 10,191 1,193 2,195 1,196 2,197 3,198 3,200 4,201 7,204 2,205 1,207 2,212 3,215 6,218 2,221 2,226 3,229 5,231 2,234 2,239 4,241 3,243 2,246 4,251 5,254 1,256 3,260 4,265 4,270 3,273 490,274 13.637,275 13.637,276 13.637,277 13.637,278 13.637,279 11.66,280 13.601,281 8.213,282 13.872,283 10.888,284 10.888,285 10.888,286 10.888,287 10.888,288 7.97,289 13.829,290 3.922,291 11.278,292 3.776,293 1.682,294 1.037,295 0.669,296 0.486,297 0.486,298 3.739,300 1,301 1,302 1,303 405,304 2.449,306 41.369,307 115.222,310 77.43,314 1.35,315 13.53,316 1,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 42.5,327 187,328 4.638,329 3.261,330 6.78,331 4.155,332 3.187,333 4.608,335 11.107,336 3.087,337 3.897,338 2.722,339 5.349,340 3.523,341 2.524,342 3.444,344 6.975,345 2.522,346 3.708,347 2.493,348 5.298,349 3.269,350 2.334,351 3.155,353 6.686,354 2.181,355 3.407,356 2.067,357 5.063,358 2.9,359 1.981,360 2.789,362 5.791,363 1.818,364 3.085,365 1.959,366 4.767,367 2.753,368 1.791,369 2.255,371 5.012,372 1.717,373 2.925,374 1.604,375 3.679,376 2.512,377 1.517,378 2.094,380 3.218,381 1.507,382 2.5,383 1.039,384 3.588,385 2.02,386 1.034,387 1.5,389 2.313,390 1.019,391 2.34,392 1,393 3.329,394 2,395 1,396 1.288,398 2.136,399 1,400 2.146,401 0.842,402 3.247,403 1.736,404 0.803,405 1.07,407 2.017,408 0.747,409 1.245,410 0.235,411 2.721,412 1.005,413 0.026,414 0.03,415 0.065,416 0.025,417 1.052,418 -0.187,419 2.627,420 0.623,421 -0.31,422 -0.403,423 -0.809,424 -0.289,425 0.811,426 -0.31,427 2.249,428 0.417,429 -0.508,430 -0.617,431 -1.225,432 -0.467,433 0.523,434 -0.575,435 2,436 0.199,437 -0.771,438 -0.95,439 -1.738,440 -0.746,441 0.5,442 -1,443 1.68,445 -1,446 -1.404,448 -2.347,449 -1,450 0.188,451 -1.05,452 1.555,453 -0.147,454 -1.102,455 -1.5,457 -2.698,458 -1.053,459 9.5,460 0.475,461 0.435,462 0.022,463 28,464 1.4,465 15,466 0.75,467 13,468 0.65,469 13.155,470 0.658,471 21.1,472 0.57,473 17.158,474 0.858,475 5.419,476 0.271,477 4.318,478 0.216,479 0.084,481 0.316,485 1.209,486 1.17,487 0.874,488 0.907,489 1.285,490 0.857,491 0.411,492 0.96,493 0.832,494 1.074,495 0.397,496 1.019,497 0.922,498 1.189,499 0.964,500 1.109,501 0.829,502 1.053,503 0.54,504 1.097,505 1.009,506 1.246,507 0.583,508 1.199,509 1.557,510 0.894,511 1.34,512 1.001,513 1.532,514 1.118,515 0.812,516 0.754,517 0.868,518 0.826,519 0.803,520 0.849,521 1.037,522 0.888,523 0.929,524 0.862,525 1.085,526 0.878,527 0.928,528 1.171,529 0.864,530 1.012,531 0.803,532 0.943,533 3.5,534 0.062,535 1.778,536 1.535,537 0.841,538 0.396,539 0.202,540 0.222,541 0.12,542 0.086,543 4107,544 10172,545 2.107,546 45.9,547 6,548 5,549 1,551 5,555 1.612,556 2,557 3.178,558 2.819,560 1,562 1,564 53.05,565 1.434,566 3.527,567 4.173,568 4.54,569 4.723,570 4.723,571 2.666,572 3.746,573 4.295,574 3.317,575 630.284,576 7.31,577 6542.11,578 1,579 1,580 1,581 1,582 192.75,583 1.295,584 4.266,585 0.159,586 0.009,587 0.059,588 0.055,589 0.035,590 0.025,591 0.013,592 0.014,593 0.007,594 0.007,595 0.384,596 0.17,597 1,598 0.548,599 89.51,600 -0.205,601 0.049,602 0.009,603 0.118,604 -0.241,605 0.096,606 0.427,607 0.156,608 0.064,609 -0.029,610 0.324,611 -0.03,612 -0.055,613 -0.181,614 -0.025,615 -0.101,616 -0.053,617 -0.066,618 0.339,619 -0.118,620 -0.057,621 -0.25,622 0.276,623 -0.213,624 -0.39,625 0.069,626 -0.339,627 -0.087,628 -0.386,629 -0.186,630 -0.006,631 0.081,632 0.137,633 0.163,634 -0.009,635 0.168,636 -0.108,637 0.06,638 0.049,639 0.119,640 -0.117,641 0.107,642 0.005,643 -0.209,644 0.107,645 -0.031,646 0.109,647 0.038,648 1.465,649 1.934,650 0.75,651 14.75,652 0.995,653 1.135,654 3.245,655 10.528,656 0.665,657 3.135,658 3.434,659 3.689,660 3.97,661 4.078,662 4.078,663 4.078,664 4.143,665 4.094,666 4.06,667 5.48,668 0.629,669 267.37,670 3.135,671 4.654,672 5.493,673 6.365,674 7.22,675 8.101,676 8.965,677 9.85,678 10.72,679 11.61,680 13.5,684 2,688 1,690 2,694 2,695 6,696 2,697 1,700 4,702 16,711 2,718 37,719 16,720 1,721 22,723 39,724 15,725 12,726 1,727 5,729 3,730 4,739 3,741 12,742 3,753 1,754 1,757 17,758 4,759 5,760 5,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,810 20,811 2,816 3,836 10,837 6.317,838 4.417,839 2.144,840 3.018,841 1.453,842 1.034,843 3.566,844 9.683,845 3.434,846 4.073,847 4.692,848 5.32,849 5.766,850 5.977,851 6.236,852 6.548,853 6.491,854 6.538,855 1,856 28,857 7.335,859 3.071,860 7.65,861 14.127,863 11.542,865 2.15,866 43,867 0.001,870 141.253,871 78.919,872 116.151,877 78.919,878 141.253,879 116.151,881 7.604,882 122.223,883 35.286,884 25.73,885 15.998,886 129.482,888 141.253,889 195.07,893 141.253,897 28.004,898 133.495,899 33.571,901 141.253,902 116.151,903 78.919,906 141.253,907 22.49,908 56.429,909 16.786,910 99.365,911 141.253,912 116.151,913 78.919,915 0.574,916 0.332,917 0.189,918 0.094,919 15,920 6,921 0.103,922 4,923 1,924 1.133,925 3.352,926 146.347,927 0.133,928 15,929 82.439,933 12.943,934 5.511,935 2.78,936 1.608,937 99.365,938 12.401,939 8.18,940 3.107,943 3.144,945 82.58,946 336.323,947 30,956 36.811,957 41.983,958 0.275,959 0.677,960 0.801,961 0.872,962 0.907,963 0.907,964 4.635,965 1,966 5.46,967 2.313,968 4.111,969 4.758,971 6.248,972 4.042,973 5.846,974 0.803,975 6.997,976 2.136,977 3.611,978 4.559,980 7.116,981 3.499,982 7.152,983 0.026,984 8.638,985 2.017,986 5.666,987 7.033,989 10.247,990 5.536,991 8.5,992 -0.31,993 10.345,994 0.065,995 6.019,996 7.725,998 12.037,999 5.852,1000 9.884,1001 -0.508,1002 12.097,1003 -0.809,1004 7.529,1005 9.643,1007 14.685,1008 7.343,1009 11.295,1010 -0.771,1011 13.883,1012 -1.225,1013 8.302,1014 10.774,1016 16.859,1017 8.083,1018 12.729,1019 -1,1020 15.695,1021 -1.738,1022 9.588,1023 12.459,1025 19.349,1026 9.346,1027 3.187,1028 -1.102,1029 17.527,1030 -2.347,1031 10.568,1032 13.806,1034 21.671,1035 10.292,1036 2.524,1037 11.107,1038 19.377,1039 -2.698,1040 11.766,1041 15.394,1043 24.108,1044 11.463,1045 2.334,1046 6.975,1047 21.239,1048 4.608,1049 12.841,1050 16.841,1052 26.484,1053 12.504,1054 1.981,1055 6.686,1056 23.113,1057 3.444,1058 14.008,1059 18.391,1061 28.903,1062 13.641,1063 1.791,1064 5.791,1065 24.995,1066 3.155,1067 15.128,1068 19.882,1070 31.299,1071 14.726,1072 1.517,1073 5.012,1074 26.884,1075 2.789,1076 16.285,1077 21.417,1079 33.71,1080 15.851,1081 1.034,1082 3.218,1083 28.778,1084 2.255,1085 17.424,1086 22.929,1088 36.113,1089 16.957,1090 3960,1091 6344,1092 14.909,1093 24.597,1094 32.747,1095 32.481,1096 33.107,1097 32.471,1098 32.394,1099 44.466,1101 90.637,1102 31.247,1103 5.509,1104 5.261,1105 6.582,1106 5.227,1107 5.187,1108 7.608,1110 17.997,1111 5.087,1112 7.66,1113 1.489,1114 1.476,1115 1.505,1116 1.476,1117 1.472,1118 2.021,1120 4.12,1121 1.42,1122 4.112,1123 4.159,1124 4.082,1125 3.983,1126 5.321,1127 4,1128 3.912,1129 3.946,1130 3.835,1131 3.85,1132 4.981,1133 3.843,1134 3.533,1135 3.604,1136 3.422,1137 3.38,1138 4.775,1139 3.376,1140 3.349,1141 3.438,1142 3.226,1143 3.111,1144 4.745,1145 3.137,1146 3.096,1147 3.216,1148 2.976,1149 2.807,1150 4.123,1151 2.83,1152 2.931,1153 3.019,1154 2.756,1155 2.735,1156 3.97,1157 2.733,1158 2.854,1159 2.925,1160 2.687,1161 2.724,1162 3.704,1163 2.715,1164 2.573,1165 2.69,1166 2.386,1167 2.352,1168 3.674,1169 2.344,1170 0.211,1171 0.148,1172 0.308,1173 0.189,1174 0.145,1175 4.638,1176 0.209,1177 3.261,1179 6.78,1180 0.505,1181 4.155,1182 0.14,1183 3.187,1184 4.608,1186 11.107,1187 3.087,1188 1.932,1189 1.901,1190 2.073,1191 2.029,1192 1.323,1193 2.04,1194 1.831,1195 1.796,1196 1.911,1197 1.993,1198 1.069,1199 1.967,1200 1.62,1201 1.558,1202 1.78,1203 1.808,1204 0.855,1205 1.817,1206 1.341,1207 1.272,1208 1.558,1209 1.57,1210 0.647,1211 1.575,1212 1.036,1213 0.944,1214 1.292,1215 1.38,1216 0.364,1217 1.364,1218 0.928,1219 0.826,1220 1.251,1221 1.262,1222 0.218,1223 1.273,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1228 0.058,1229 1.107,1230 0.755,1231 0.657,1232 1.073,1233 1.018,1235 1.049,1236 3.807,1238 5.106,1239 2.398,1240 6.6,1241 4.727,1242 8.19,1243 6.843,1244 9.833,1250 11.522,1252 3.038,1262 23.268,1263 53.05,1264 130.511,1265 154.385,1266 167.995,1267 174.75,1268 174.75,1269 23.64,1270 6.664,1271 93.61,1272 93.61,1273 17,1274 12.144,1275 4.087,1276 3.17,1277 30.166,1278 65,1279 62,1280 0.227,1281 145.955,1282 234.8,1283 347.89,1284 6553,1286 13.949,1287 0.697,1288 0.557,1289 13.949,1290 11.135,1291 9.737,1292 0.443,1293 0.303,1294 6.6,1295 9.472,1296 6.47,1297 5.388,1298 9.737,1299 6.667,1300 8.664,1301 0.289,1302 0.161,1303 8.664,1304 4.844,1305 7.045,1306 0.181,1307 0.088,1308 7.045,1309 3.413,1310 6.288,1311 0.121,1312 0.047,1313 6.288,1314 2.47,1315 4.508,1316 0.078,1317 0.027,1318 4.508,1319 1.54,1320 0.357,1321 60.271,1322 0.259,1323 20.152,1324 0.615,1325 104,1326 258.248,1327 112.159,1328 262.847,1329 369.78,1330 246,1331 121,1332 285.296,1333 128.66,1334 292.358,1335 425.33,1336 276,1337 5.068}
{0 CHEMBL608143,1 1.631,2 7.632,3 2.235,4 4.995,5 80.947,6 8.481,7 0.762,8 3.595,9 3.729,10 3.326,11 3.2,12 4.791,13 3.159,14 4.031,15 4.189,16 3.74,17 3.59,18 5.218,19 3.512,20 4.19,21 4.365,22 3.816,23 3.685,24 5.269,25 3.572,26 4.192,27 4.374,28 3.717,29 3.614,30 5.327,31 3.481,32 4.14,33 4.347,34 3.396,35 3.488,36 5.232,37 3.393,38 4.186,39 4.421,40 3.295,41 3.438,42 5.221,43 3.324,44 4.135,45 4.415,46 2.934,47 3.23,48 5.116,49 3.075,50 3.84,51 4.17,52 2.389,53 2.779,54 4.72,55 2.594,56 0.056,57 0.545,58 6.081,59 2.57,60 9.706,61 3.041,62 0.15,63 0.833,64 10.883,65 4.889,66 17.034,67 5.922,68 0.145,69 0.968,70 16.509,71 5.71,72 13.967,73 6.322,74 0.219,75 0.961,76 20.671,77 6.679,78 19.817,79 7.582,80 0.186,81 0.855,82 14.96,83 4.718,84 21.767,85 5.574,86 0.132,87 0.83,88 13.769,89 5.015,90 20.352,91 6.932,92 0.179,93 0.74,94 16.546,95 5.163,96 27.062,97 6.858,98 0.143,99 0.498,100 12.56,101 3.873,102 21.542,103 5.592,104 10,105 30,106 0.302,107 0.663,108 0.747,109 0.814,110 0.83,111 0.83,112 3.012,113 0.944,114 -4.49,115 -4.42,116 -4.16,119 40.6,120 1,139 5,140 1,141 2,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 4,169 1,170 2,172 3,173 4,175 3,178 7,180 1,187 1,189 6,193 3,195 1,196 2,197 3,198 2,200 4,201 3,204 2,205 1,207 1,212 3,215 4,218 1,221 4,226 6,229 3,231 4,234 4,239 3,241 1,243 2,246 2,251 3,256 3,265 2,270 2,273 410,274 12.723,275 12.723,276 12.723,277 12.723,278 12.723,279 10.693,280 10.973,281 7.498,282 13.129,283 10.389,284 10.389,285 10.389,286 10.389,287 10.389,288 7.409,289 11.363,290 3.601,291 11.106,292 3.369,293 1.424,294 0.972,295 0.61,296 0.524,297 0.524,298 3.687,300 1,301 1,302 1,303 312,304 2.121,306 35.845,307 98.507,310 68.116,314 1.125,315 13.17,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 40.5,327 145,328 4.707,329 4.593,330 6.909,331 4.218,332 3.271,333 4.68,334 2.95,335 11.585,336 3.095,337 3.943,338 3.379,339 5.725,340 3.487,341 2.576,342 3.48,344 7.699,345 2.343,346 3.77,347 2.795,348 5.294,349 3.305,350 2.363,351 3.272,353 6.701,354 2.217,355 3.435,356 2.248,357 5.127,358 2.959,359 2.032,360 2.814,362 6.002,363 1.878,364 3.216,365 2.134,366 4.934,367 2.74,368 1.81,369 2.486,371 5.417,372 1.675,373 2.905,374 1.817,375 4.226,376 2.442,377 1.492,378 2.07,380 3.557,381 1.401,382 2.512,383 1.688,384 3.6,385 2.075,386 1.154,387 1.517,389 2.913,390 1.05,391 2.5,392 1,393 3.247,394 2,395 1,396 1.5,398 2.136,399 1,400 1.356,401 0.651,402 2.989,403 0.968,404 0.093,405 0.113,407 0.256,408 0.08,409 1.14,410 0.39,411 2.728,412 0.667,413 -0.246,414 -0.329,415 -0.665,416 -0.224,417 0.818,418 -0.112,419 2.442,420 0.397,421 -0.52,422 -0.639,423 -1.259,424 -0.467,425 0.622,426 -0.333,427 2.276,428 0.309,429 -0.619,430 -0.728,431 -1.418,432 -0.566,433 0.5,434 -0.61,435 1.738,437 -1,438 -1.371,439 -2.347,440 -1,441 0.22,442 -1,443 1.555,444 -0.131,445 -1.073,446 -1.5,448 -2.71,449 -1.003,450 0.113,451 -1.102,452 1.466,453 -0.308,454 -1.247,455 -1.744,457 -3.666,458 -1.171,459 9.333,460 0.491,461 0.524,462 0.028,463 28,464 1.474,465 15.5,466 0.816,467 12.5,468 0.658,469 12.424,470 0.654,471 19.467,472 0.608,473 17.264,474 0.909,475 5.46,476 0.287,477 3.688,478 0.194,479 0.139,481 0.375,485 1.238,486 1.034,487 0.757,488 0.711,489 1.398,490 0.719,491 0.39,492 0.824,493 0.707,494 0.824,495 0.363,496 0.801,497 1.271,498 1.146,499 1.261,500 1.119,501 1.003,502 0.952,503 0.475,504 1.242,505 1.549,506 1.664,507 0.517,508 1.224,509 1.616,510 1.019,511 1.309,512 1.056,513 1.478,514 1.085,515 0.968,516 1.137,517 0.798,518 0.997,519 0.946,520 1.167,521 1.183,522 0.99,523 1.015,524 0.982,525 1.204,526 1.085,527 0.952,528 0.782,529 0.623,530 0.663,531 0.952,532 0.864,533 4,534 0.012,535 1.778,536 1.979,537 1.196,538 0.751,539 0.234,540 0.165,541 0.102,542 0.03,543 3062,544 8639,545 2.081,546 40.6,548 5,551 5,552 3,555 1.607,556 1.932,557 2.913,558 2.943,560 1,562 1,564 52.179,565 1.631,566 3.576,567 4.028,568 4.39,569 4.476,570 4.476,571 2.42,572 3.932,573 4.22,574 3.009,575 514.584,576 7.206,577 4900.12,578 1,579 1,581 1,582 160,583 1.462,584 4.171,585 0.19,586 0.012,587 0.059,588 0.068,589 0.046,590 0.034,591 0.012,592 0.013,593 0.015,594 0.01,595 0.46,596 0.33,597 1,598 0.644,599 80.774,600 -0.274,601 0.097,602 0.025,603 0.178,604 -0.396,605 0.129,606 0.472,607 0.246,608 0.211,609 0.167,610 0.358,611 0.126,612 -0.238,613 -0.036,614 -0.031,615 0.042,616 -0.199,617 -0.01,618 0.447,619 -0.172,620 -0.141,621 -0.37,622 0.378,623 -0.213,624 -0.487,625 0.037,626 -0.373,627 -0.129,628 -0.377,629 -0.194,630 -0.093,631 -0.236,632 -0.079,633 -0.19,634 -0.052,635 -0.217,636 -0.178,637 -0.119,638 -0.125,639 -0.101,640 -0.146,641 -0.092,642 0.007,643 -0.024,644 0.189,645 0.152,646 0.088,647 0.186,648 1.484,649 1.96,650 0.789,651 11.812,652 1.004,653 1.127,654 3.261,655 10.634,656 0.71,657 3.091,658 3.434,659 3.714,660 4.043,661 4.234,662 4.277,663 4.304,664 4.382,665 4.29,666 4.111,667 4.511,668 0.669,669 271.38,670 3.091,671 4.635,672 5.493,673 6.392,674 7.273,675 8.181,676 9.072,677 9.983,678 10.88,679 11.794,680 15.6,684 2,688 1,690 2,694 2,695 5,696 2,697 1,700 5,702 16,711 2,718 32,719 16,720 1,721 21,723 34,724 13,725 12,726 1,727 5,729 3,730 4,734 1,741 12,742 1,753 1,754 1,757 13,758 4,759 5,760 6,761 1,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 1,810 19,811 2,819 1,836 9.833,837 5.9,838 4.111,839 1.686,840 3.109,841 1.469,842 1.048,843 3.085,844 9.738,845 3.401,846 4.09,847 4.728,848 5.4,849 5.924,850 6.218,851 6.576,852 6.99,853 7.116,854 7.246,855 1,856 29,857 6.944,859 2.932,860 7.711,861 13.191,863 10.731,865 2.211,866 42,867 0.001,870 94.169,871 102.799,872 116.151,876 32.22,877 70.58,878 94.169,879 116.151,880 8.825,882 113.176,883 35.286,884 22.46,885 6.984,886 126.388,888 94.169,889 186.731,891 32.22,893 94.169,897 29.225,898 123.935,899 33.571,900 32.22,901 94.169,902 116.151,903 102.799,906 94.169,907 46.593,908 56.206,909 16.786,910 99.365,911 94.169,912 116.151,913 102.799,915 0.586,916 0.341,917 0.199,918 0.11,919 16,920 7,921 0.059,922 2,923 1,924 1.133,925 3.103,926 144.354,927 0.133,928 15,929 76.711,930 1,933 12.326,934 4.756,935 2.267,936 1.515,937 99.365,938 10.105,939 8.206,940 3.197,943 3.782,945 82.58,946 313.119,947 29,956 32.12,957 36.072,958 0.326,959 0.715,960 0.806,961 0.878,962 0.895,963 0.895,964 4.625,965 1,966 5.493,967 2.913,968 4.111,969 4.775,970 2.913,971 6.333,972 3.977,973 5.869,974 0.093,975 7.066,976 2.136,977 3.761,978 4.691,980 7.277,981 3.552,982 7.199,983 -0.246,984 8.74,985 0.256,986 5.72,987 7.092,988 5.027,989 10.433,990 5.458,991 8.568,992 -0.52,993 10.475,994 -0.665,995 6.176,996 7.845,998 12.265,999 5.845,1000 9.969,1001 -0.619,1002 12.251,1003 -1.259,1004 7.644,1005 9.734,1006 7.185,1007 14.952,1008 7.268,1009 11.396,1010 -1,1011 14.057,1012 -1.418,1013 8.491,1014 10.904,1016 17.165,1017 8.055,1018 12.845,1019 -1.073,1020 15.888,1021 -2.347,1022 9.768,1023 12.582,1024 9.348,1025 19.695,1026 9.288,1027 3.271,1028 -1.247,1029 17.738,1030 -2.71,1031 10.801,1032 13.956,1034 22.058,1035 10.263,1036 2.576,1037 11.585,1038 19.604,1039 -3.666,1040 12.008,1041 15.548,1042 11.511,1043 24.534,1044 11.425,1045 2.363,1046 7.699,1047 21.482,1048 4.68,1049 13.124,1050 17.017,1052 26.953,1053 12.486,1054 2.032,1055 6.701,1056 23.371,1057 3.48,1058 14.309,1059 18.577,1060 13.675,1061 29.411,1062 13.623,1063 1.81,1064 6.002,1065 25.269,1066 3.272,1067 15.461,1068 20.087,1070 31.849,1071 14.722,1072 1.492,1073 5.417,1074 27.174,1075 2.814,1076 16.641,1077 21.635,1078 15.838,1079 34.302,1080 15.851,1081 1.154,1082 3.557,1083 29.084,1084 2.486,1085 17.811,1086 23.164,1088 36.747,1089 16.967,1090 3013,1091 5175,1092 13.929,1093 22.722,1094 31.881,1095 34.362,1096 32.674,1097 31.587,1098 31.584,1099 43.863,1100 5.9,1101 92.53,1102 29.478,1103 5.476,1104 6.593,1105 6.711,1106 5.358,1107 5.271,1108 7.68,1109 5.9,1110 18.633,1111 5.095,1112 8.715,1113 1.518,1114 1.636,1115 1.556,1116 1.504,1117 1.504,1118 2.089,1119 0.281,1120 4.406,1121 1.404,1122 4.109,1123 4.15,1124 4.19,1125 4.012,1126 5.318,1127 4.008,1128 3.858,1129 3.887,1130 3.862,1131 3.801,1132 4.981,1133 3.792,1134 3.469,1135 3.551,1136 3.464,1137 3.258,1138 4.78,1139 3.274,1140 3.106,1141 3.222,1142 3.207,1143 2.938,1144 4.708,1145 2.879,1146 2.967,1147 3.086,1148 2.946,1149 2.76,1150 4.131,1151 2.759,1152 2.887,1153 2.926,1154 2.739,1155 2.735,1156 3.77,1157 2.715,1158 2.854,1159 2.925,1160 2.687,1161 2.673,1162 3.674,1163 2.687,1164 2.457,1165 2.579,1166 2.395,1167 2.274,1168 3.662,1169 2.233,1170 0.224,1171 0.219,1172 0.329,1173 0.201,1174 0.156,1175 4.707,1176 0.223,1177 4.593,1178 0.14,1179 6.909,1180 0.552,1181 4.218,1182 0.147,1183 3.271,1184 4.68,1185 2.95,1186 11.585,1187 3.095,1188 1.889,1189 1.869,1190 1.985,1191 2.004,1192 1.088,1193 1.98,1194 1.794,1195 1.755,1196 1.831,1197 1.941,1198 0.941,1199 1.948,1200 1.584,1201 1.53,1202 1.768,1203 1.764,1204 0.833,1205 1.772,1206 1.04,1207 0.964,1208 1.283,1209 1.383,1210 0.28,1211 1.368,1212 0.914,1213 0.822,1214 1.21,1215 1.284,1216 0.218,1217 1.28,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.135,1223 1.109,1224 0.88,1225 0.795,1226 1.077,1227 1.052,1229 1.107,1230 0.654,1231 0.544,1232 0.984,1233 0.92,1235 0.952,1236 3.761,1238 5.094,1239 2.398,1240 6.621,1241 4.844,1242 8.244,1243 7.034,1244 9.918,1246 1.989,1250 11.568,1255 1.638,1262 21.401,1263 52.179,1264 114.416,1265 128.881,1266 140.49,1267 143.245,1268 143.245,1269 21.156,1270 6.629,1271 93.61,1272 118.91,1273 17,1274 12.31,1275 4.087,1276 3.17,1277 27.677,1278 50,1279 51,1280 0.278,1281 137.901,1282 218.71,1283 328.239,1284 5647,1286 13.405,1287 0.706,1288 0.587,1289 13.759,1290 11.161,1291 9.148,1292 0.436,1293 0.315,1294 5.796,1295 8.428,1296 5.556,1297 4.641,1298 9.556,1299 6.607,1300 8.508,1301 0.284,1302 0.176,1303 9.15,1304 5.269,1305 6.911,1306 0.173,1307 0.1,1308 7.755,1309 4.013,1310 6.28,1311 0.112,1312 0.054,1313 7.19,1314 3.003,1315 4.835,1316 0.071,1317 0.031,1318 5.727,1319 2.09,1320 0.416,1321 60.772,1322 0.268,1323 18.622,1324 0.826,1325 102,1326 273.108,1327 136.115,1328 297.288,1329 418.37,1330 278,1331 121,1332 308.32,1333 152.489,1334 331.073,1335 486.16,1336 312,1337 4.481}
{0 CHEMBL60821,1 1.446,2 8.826,3 3.929,4 15.437,5 98.186,6 6.648,7 0.5,8 3.908,9 4.053,10 3.358,11 3.409,12 5.012,13 3.369,14 4.406,15 4.613,16 3.657,17 3.76,18 5.424,19 3.686,20 4.578,21 4.787,22 3.762,23 3.91,24 5.55,25 3.827,26 4.724,27 4.952,28 3.755,29 3.98,30 5.693,31 3.876,32 4.756,33 4.971,34 3.707,35 4.033,36 5.687,37 3.899,38 4.889,39 5.164,40 3.608,41 4.004,42 5.704,43 3.844,44 4.763,45 5.032,46 3.507,47 3.905,48 5.594,49 3.726,50 4.802,51 5.134,52 3.388,53 3.725,54 5.638,55 3.539,56 0.059,57 0.679,58 10.869,59 4.121,60 12.46,61 5.983,62 0.233,63 1.004,64 18.57,65 7.114,66 26.237,67 10.024,68 0.13,69 1.184,70 21.853,71 8.052,72 22.168,73 11.871,74 0.298,75 1.288,76 25.908,77 9.217,78 38.43,79 13.356,80 0.177,81 1.348,82 26.224,83 10.029,84 31.41,85 14.542,86 0.329,87 1.374,88 30.958,89 10.619,90 39.333,91 15.849,92 0.126,93 1.265,94 26.552,95 9.894,96 27.304,97 14.943,98 0.443,99 1.161,100 29.031,101 8.572,102 50.156,103 13.907,104 39,105 32,106 0.25,107 0.633,108 0.849,109 0.871,110 0.871,111 0.871,112 3.188,113 0.972,114 -4.66,115 -4.58,116 -4.31,119 38.3,120 2,121 3,124 1,134 2,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 12,169 1,170 4,172 3,173 3,175 1,178 13,180 1,182 6,187 1,189 14,191 1,193 5,195 1,196 1,197 1,198 2,200 2,201 13,204 2,205 1,207 7,212 3,215 12,218 3,221 5,226 3,229 9,231 3,234 4,239 4,241 4,243 4,245 2,246 4,248 1,249 1,251 4,254 1,256 4,260 4,265 4,270 4,273 730,274 15.541,275 15.541,276 15.541,277 15.541,278 15.541,279 13.642,280 19.448,281 9.389,282 15.886,283 11.718,284 11.718,285 11.718,286 11.718,287 11.718,288 8.991,289 22.719,290 4.198,291 12.184,292 4.108,293 1.893,294 0.644,295 0.516,296 0.516,297 0.516,298 3.849,300 1,301 1,302 1,303 409,304 3.082,307 161.248,314 1.255,315 16.401,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 49,327 203,328 4.441,329 3.3,330 6.53,331 4.058,332 3.078,333 4.133,334 0.86,335 10.309,336 3.016,337 4.23,338 3.066,339 6.088,340 3.815,341 2.856,342 3.877,343 0.68,344 8.843,345 2.742,346 3.604,347 2.536,348 5.281,349 3.236,350 2.28,351 2.941,353 6.716,354 2.18,355 3.46,356 2.283,357 5.223,358 3.115,359 2.115,360 2.733,362 6.311,363 2.115,364 3.362,365 2.178,366 4.921,367 2.94,368 1.999,369 2.662,371 5.65,372 1.87,373 2.823,374 1.811,375 4.149,376 2.359,377 1.427,378 1.952,380 3.675,381 1.325,382 2.755,383 1.546,384 3.874,385 2.319,386 1.359,387 1.694,389 2.866,390 1.299,391 2.236,392 1.296,393 3.153,394 2,395 1,396 1.187,398 1.714,399 1,400 1.908,401 1.031,402 3.104,403 1.693,404 0.778,405 0.851,407 1.357,408 0.704,409 1.561,410 0.626,411 2.774,412 1.267,413 0.332,414 0.394,415 0.715,416 0.309,417 1,418 0.286,419 2.567,420 0.746,421 -0.186,422 -0.204,423 -0.279,424 -0.169,425 1,426 -0.075,427 2.359,428 0.736,429 -0.254,430 -0.301,431 -0.478,432 -0.254,433 0.8,434 -0.173,435 2.322,436 0.532,437 -0.446,438 -0.518,439 -0.944,440 -0.435,441 0.714,442 -0.314,443 2,444 0.392,445 -0.515,446 -0.621,448 -1.242,449 -0.467,450 0.405,451 -0.637,452 1.69,453 0.048,454 -0.916,455 -1.088,457 -2.047,458 -0.875,459 10.933,460 0.475,461 0.503,462 0.022,463 29,464 1.261,465 15,466 0.652,467 14,468 0.609,469 19.185,470 0.834,471 25.667,472 0.546,473 20.567,474 0.894,475 5.723,476 0.249,477 5.361,478 0.233,479 0.21,481 0.32,485 1.046,486 1.277,487 0.953,488 1.125,489 1.246,490 1.036,491 0.88,492 0.858,493 0.831,494 0.926,495 0.592,496 0.896,497 0.898,498 1.187,499 0.927,500 1.127,501 0.787,502 1.042,503 1.251,504 0.911,505 1.057,506 0.994,507 0.977,508 1.011,509 0.997,510 1.274,511 1.209,512 1.361,513 0.936,514 1.327,515 1.209,516 0.91,517 1.033,518 0.947,519 0.959,520 0.979,521 0.479,522 1.332,523 0.982,524 1.329,525 0.58,526 1.237,527 0.695,528 0.767,529 0.753,530 0.725,531 0.812,532 0.738,533 5,534 0.087,535 2.444,536 1.813,537 1.538,538 0.757,539 0.628,540 0.358,541 0.238,542 0.153,543 4764,544 11737,545 1.946,546 51.1,547 12,548 7,550 1,551 4,555 1.663,556 1.792,557 3.127,558 1.779,560 1,564 67.968,565 1.446,566 3.662,567 4.911,568 5.038,569 5.038,570 5.038,571 2.512,572 3.882,573 4.493,574 3.272,575 827.828,576 7.77,577 9447.83,579 1,581 1,582 261.066,583 1.51,584 4.433,585 0.208,586 0.014,587 0.076,588 0.052,589 0.045,590 0.024,591 0.022,592 0.015,593 0.011,594 0.01,595 0.479,597 1,598 1.365,599 106.719,600 -0.087,601 -0.008,602 0.016,603 0.013,604 -0.188,605 0.03,606 0.18,607 0.241,608 0.148,609 0.149,610 0.24,611 0.137,612 -0.012,613 -0.085,614 0.035,615 -0.052,616 0.009,617 -0.006,618 -0.083,619 0.134,620 -0.068,621 0.039,623 -0.008,624 -0.113,625 -0.215,626 -0.259,627 -0.28,628 -0.132,629 -0.287,630 -0.14,631 0.014,632 -0.054,633 0.045,634 -0.099,635 0.007,636 0.09,637 -0.383,638 -0.054,639 -0.293,640 0.082,641 -0.209,642 0.255,643 0.081,644 0.235,645 0.166,646 0.185,647 0.195,648 1.47,649 2.109,650 0.522,651 18.858,652 0.991,653 1.135,654 3.431,655 11.771,656 0.64,657 3.219,658 3.497,659 3.738,660 3.989,661 4.174,662 4.19,663 4.19,664 4.277,665 4.263,666 4.159,667 5.442,668 0.597,669 312.46,670 3.219,671 4.727,672 5.557,673 6.425,674 7.279,675 8.154,676 9.016,677 9.893,678 10.758,679 11.636,680 8.5,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,718 47,719 13,720 1,721 24,723 48,724 18,725 10,726 4,727 2,728 2,729 2,730 2,734 2,739 3,741 12,742 6,744 1,749 2,754 1,757 24,758 5,759 4,760 5,764 4,769 1,770 1,776 1,781 2,795 2,802 2,806 3,810 23,811 2,816 3,818 1,829 2.1,834 1,836 12.833,837 9.15,838 5.417,839 2.849,840 2.388,841 1.365,842 0.952,843 5.996,844 8.928,845 3.466,846 4.043,847 4.59,848 5.147,849 5.666,850 5.826,851 6.058,852 6.41,853 6.686,854 6.943,855 0.833,856 35,857 8.438,859 3.35,860 7.659,861 16.218,863 12.544,865 2.159,866 49.667,869 1,870 235.422,871 105.302,872 99.365,874 11,877 105.302,878 246.422,879 99.365,880 28.533,881 7.604,882 103.699,883 45.342,884 38.033,885 4.227,886 223.651,888 235.422,889 204.668,890 11,893 235.422,894 11,897 36.201,898 115.944,899 52.524,901 235.422,902 110.365,903 105.302,906 235.422,907 29.816,908 75.486,910 110.365,911 235.422,912 110.365,913 105.302,915 0.557,916 0.333,917 0.195,918 0.109,919 13,920 7,921 0.125,922 6,924 1,925 3.368,926 174.494,928 12,929 104.042,933 17.291,934 7.976,935 4.23,937 110.365,938 5.982,939 8.062,943 5.873,945 65.794,946 451.09,947 31,952 4.072,956 46.571,957 53.355,958 0.26,959 0.659,960 0.884,961 0.907,962 0.907,963 0.907,964 4.673,965 1,966 5.533,967 2.866,968 4.174,969 4.727,970 1.225,971 6.33,972 4.104,973 5.879,974 0.778,975 7.084,976 1.714,977 3.761,978 4.559,980 7.209,981 3.664,982 7.184,983 0.332,984 8.735,985 1.357,986 5.746,987 6.92,988 0.925,989 10.292,990 5.622,991 8.526,992 -0.186,993 10.443,994 0.715,995 6.133,996 7.536,998 11.971,999 5.98,1000 9.898,1001 -0.254,1002 12.187,1003 -0.279,1004 7.596,1005 9.388,1006 0.697,1007 14.572,1008 7.423,1009 11.29,1010 -0.446,1011 13.955,1012 -0.478,1013 8.363,1014 10.378,1016 16.599,1017 8.16,1018 12.699,1019 -0.515,1020 15.741,1021 -0.944,1022 9.611,1023 12.007,1024 0.525,1025 19.025,1026 9.391,1027 3.078,1028 -0.916,1029 17.541,1030 -1.242,1031 10.559,1032 13.19,1034 21.211,1035 10.311,1036 2.856,1037 10.309,1038 19.352,1039 -2.047,1040 11.719,1041 14.71,1042 0.395,1043 23.57,1044 11.453,1045 2.28,1046 8.843,1047 21.172,1048 4.133,1049 12.752,1050 15.995,1052 25.828,1053 12.461,1054 2.115,1055 6.716,1056 22.999,1057 3.877,1058 13.877,1059 17.459,1060 0.298,1061 28.163,1062 13.567,1063 1.999,1064 6.311,1065 24.832,1066 2.941,1067 14.95,1068 18.799,1070 30.455,1071 14.617,1072 1.427,1073 5.65,1074 26.67,1075 2.733,1076 16.062,1077 20.234,1078 0.224,1079 32.781,1080 15.71,1081 1.359,1082 3.675,1083 28.513,1084 2.662,1085 17.154,1086 21.603,1088 35.09,1089 16.781,1090 4957,1091 7902,1092 15.315,1093 30.091,1094 34.925,1095 35.116,1096 36.863,1097 34.434,1098 34.449,1099 44.844,1100 3.08,1101 96.313,1102 33.122,1103 5.22,1104 5.3,1105 6.296,1106 5.127,1107 5.078,1108 7.133,1109 1.72,1110 17.254,1111 5.016,1112 13.595,1113 1.455,1114 1.463,1115 1.536,1116 1.435,1117 1.435,1118 1.868,1119 0.128,1120 4.013,1121 1.38,1122 4.02,1123 4.047,1124 3.971,1125 3.956,1126 5.291,1127 3.955,1128 3.833,1129 3.883,1130 3.795,1131 3.679,1132 4.979,1133 3.701,1134 3.581,1135 3.649,1136 3.42,1137 3.467,1138 4.847,1139 3.448,1140 3.464,1141 3.534,1142 3.302,1143 3.33,1144 4.465,1145 3.314,1146 3.295,1147 3.357,1148 3.14,1149 3.044,1150 4.402,1151 3.059,1152 3.126,1153 3.23,1154 2.961,1155 2.864,1156 4.286,1157 2.868,1158 2.988,1159 3.107,1160 2.801,1161 2.794,1162 4.077,1163 2.771,1164 2.941,1165 3.034,1166 2.732,1167 2.671,1168 3.746,1169 2.684,1170 0.185,1171 0.138,1172 0.272,1173 0.169,1174 0.128,1175 4.441,1176 0.172,1177 3.3,1178 0.036,1179 6.53,1180 0.43,1181 4.058,1182 0.126,1183 3.078,1184 4.133,1185 0.86,1186 10.309,1187 3.016,1188 1.984,1189 1.964,1190 2.086,1191 2.071,1192 1.32,1193 2.074,1194 1.765,1195 1.72,1196 1.9,1197 1.949,1198 1.116,1199 1.929,1200 1.611,1201 1.549,1202 1.857,1203 1.775,1204 0.94,1205 1.813,1206 1.475,1207 1.409,1208 1.722,1209 1.656,1210 0.778,1211 1.689,1212 1.232,1213 1.166,1214 1.573,1215 1.537,1216 0.573,1217 1.548,1218 1.088,1219 0.995,1220 1.4,1221 1.392,1222 0.51,1223 1.395,1224 0.987,1225 0.902,1226 1.327,1227 1.28,1228 0.388,1229 1.298,1230 0.9,1231 0.786,1232 1.235,1233 1.201,1234 0.183,1235 1.245,1236 3.892,1238 5.176,1240 6.668,1242 8.266,1244 9.918,1246 5.873,1250 11.507,1252 2.689,1254 5.609,1262 28.068,1263 67.968,1264 172.098,1265 230.801,1266 236.801,1267 236.801,1268 236.801,1269 38.701,1270 6.54,1271 87.05,1272 87.05,1273 12,1274 12.176,1275 3.807,1276 3,1277 44.986,1278 74,1279 76,1280 0.303,1281 179.327,1282 307.75,1283 429.319,1284 4836,1286 16.82,1287 0.731,1288 0.607,1289 16.82,1290 13.965,1291 11.083,1292 0.462,1293 0.324,1294 7.687,1295 10.727,1296 7.368,1297 6.276,1298 11.083,1299 7.779,1300 9.398,1301 0.294,1302 0.17,1303 9.398,1304 5.443,1305 7.519,1306 0.183,1307 0.089,1308 7.519,1309 3.635,1310 6.458,1311 0.122,1312 0.051,1313 6.458,1314 2.681,1315 4.955,1316 0.077,1317 0.027,1318 4.955,1319 1.758,1320 0.463,1321 69.055,1322 0.256,1323 22.296,1324 0.867,1325 112,1326 297.65,1327 120.929,1328 295.016,1329 406.77,1330 276,1331 129,1332 302.517,1333 137.651,1334 312.73,1335 450.83,1336 291,1337 4.62}
{0 CHEMBL60827,1 1.417,2 9.269,3 2.838,4 8.054,5 108.446,6 7.218,7 0.586,8 3.972,9 4.115,10 3.514,11 3.524,12 5.089,13 3.498,14 4.481,15 4.668,16 3.932,17 3.945,18 5.551,19 3.902,20 4.735,21 4.921,22 4.015,23 4.15,24 5.763,25 4.078,26 4.928,27 5.18,28 3.965,29 4.196,30 5.85,31 4.081,32 4.869,33 5.099,34 3.911,35 4.169,36 5.804,37 4.053,38 4.9,39 5.167,40 3.836,41 4.11,42 5.808,43 3.985,44 4.78,45 5.04,46 3.731,47 3.975,48 5.734,49 3.84,50 4.627,51 4.902,52 3.475,53 3.722,54 5.601,55 3.576,56 0.061,57 0.769,58 10.248,59 3.911,60 13.017,61 5.572,62 0.184,63 1.217,64 18.149,65 7.133,66 24.672,67 10.155,68 0.189,69 1.54,70 23.418,71 8.62,72 24.52,73 12.474,74 0.272,75 1.673,76 30.83,77 11.252,78 42.082,79 16.608,80 0.2,81 1.615,82 28.246,83 10.382,84 31.91,85 15.266,86 0.27,87 1.585,88 30.61,89 10.399,90 39.524,91 15.682,92 0.224,93 1.41,94 26.785,95 9.781,96 35.648,97 14.539,98 0.236,99 1.188,100 23.511,101 7.739,102 35.809,103 11.831,104 26,105 44,106 0.239,107 0.653,108 0.806,109 0.844,110 0.844,111 0.844,112 3.306,113 0.889,114 -4.2,115 -4.14,116 -3.91,119 41.7,120 3,121 1,129 1,134 1,135 1,139 3,140 4,141 1,142 2,143 1,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 4,172 3,173 3,175 5,178 14,180 1,182 5,185 1,187 4,189 12,191 1,193 5,195 1,196 1,197 1,198 5,200 2,201 13,204 2,205 1,207 9,212 5,215 12,218 3,221 4,226 4,229 9,231 3,233 2,234 4,236 1,237 1,239 4,241 6,243 4,246 4,249 2,250 1,251 4,253 1,254 2,256 4,262 1,263 1,265 2,270 2,273 908,274 17.033,275 17.033,276 17.033,277 17.033,278 17.033,279 14.727,280 23.051,281 9.68,282 17.328,283 14.33,284 14.33,285 14.33,286 14.33,287 14.33,288 10.846,289 36.885,290 4.63,291 14.824,292 4.168,293 1.723,294 0.813,295 0.589,296 0.589,297 0.589,298 3.998,300 1,301 1,302 1,303 523,304 2.915,307 219.448,311 167.894,314 1.29,315 19.218,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 55,327 241,328 4.725,329 3.619,330 7.003,331 4.372,332 3.394,333 4.631,334 0.68,335 11.982,336 3.319,337 4.318,338 3.258,339 6.654,340 4.062,341 3.078,342 3.885,343 0.657,344 10.749,345 3.027,346 4.214,347 2.998,348 6.152,349 3.803,350 2.844,351 3.684,353 8.974,354 2.732,355 3.808,356 2.643,357 6.034,358 3.518,359 2.526,360 3.054,362 8.525,363 2.504,364 3.639,365 2.452,366 5.589,367 3.227,368 2.267,369 3.015,371 7.18,372 2.176,373 3.415,374 2.192,375 4.966,376 2.98,377 2.042,378 2.732,380 5.785,381 1.906,382 3.178,383 1.898,384 4.762,385 2.706,386 1.729,387 2.382,389 4.803,390 1.687,391 2.836,392 1.57,393 4.174,394 2.366,395 1.432,396 1.968,398 3.696,399 1.334,400 2.775,401 1.317,402 3.859,403 2.257,404 1.271,405 1.859,407 2.936,408 1.251,409 2.485,410 1.099,411 3.663,412 1.988,413 1.034,414 1.476,415 2.682,416 0.984,417 1.807,418 0.784,419 3.441,420 1.501,421 0.539,422 0.65,423 1.476,424 0.517,425 1.432,426 0.399,427 3.215,428 1.099,429 0.154,430 0.186,431 0.393,432 0.145,433 1.033,434 0.007,435 2.938,436 0.632,437 -0.345,438 -0.417,439 -0.99,440 -0.336,441 0.803,442 -0.291,443 2.626,444 0.475,445 -0.498,446 -0.588,448 -1.242,449 -0.465,450 0.749,451 -0.314,452 2.503,453 0.396,454 -0.517,455 -0.621,457 -1.358,458 -0.49,459 12.4,460 0.477,461 0.92,462 0.035,463 36,464 1.385,465 19,466 0.731,467 17,468 0.654,469 22.277,470 0.857,471 27.2,472 0.567,473 26.089,474 1.003,475 6.773,476 0.26,477 5.565,478 0.214,479 0.185,480 0.04,481 0.363,485 1.125,486 1.188,487 0.856,488 0.94,489 1.303,490 0.878,491 0.568,492 0.947,493 0.664,494 0.857,495 0.398,496 0.787,497 1.133,498 1.181,499 1.123,500 1.151,501 0.924,502 1.139,503 0.791,504 0.931,505 0.925,506 0.978,507 0.757,508 0.97,509 0.978,510 1.121,511 1.11,512 1.166,513 0.886,514 1.156,515 1.039,516 0.933,517 0.998,518 0.946,519 0.922,520 0.963,521 0.619,522 1.126,523 0.95,524 1.171,525 0.7,526 1.113,527 0.843,528 1.205,529 1.049,530 1.212,531 0.93,532 1.166,533 7,534 0.07,535 3.556,536 2.438,537 2.387,538 1.097,539 0.852,540 0.528,541 0.299,542 0.279,543 7113,544 17018,545 2.069,546 45.8,547 5,548 4,550 2,551 5,553 6,555 1.697,556 1.891,557 3.14,558 2.52,559 1,560 1,564 68.022,565 1.417,566 3.862,567 4.772,568 4.996,569 4.996,570 4.996,571 2.598,572 4.393,573 4.672,574 3.293,575 1070.31,576 8.128,577 12672,579 1,581 1,582 268.078,583 1.693,584 4.603,585 0.241,586 0.006,587 0.081,588 0.053,589 0.056,590 0.027,591 0.023,592 0.016,593 0.013,594 0.019,595 0.536,596 0.33,597 1,598 0.638,599 123.953,600 -0.153,601 0.014,602 0.027,603 0.087,604 -0.284,605 0.081,606 0.316,607 0.155,608 0.252,609 0.175,610 0.356,611 0.2,612 -0.164,613 -0.061,614 -0.21,615 -0.145,616 -0.168,617 -0.177,618 0.042,619 0.038,620 0.035,621 0.034,622 0.077,623 0.034,624 -0.133,625 -0.112,626 -0.17,627 -0.152,628 -0.104,629 -0.163,630 -0.115,631 0.023,632 -0.017,633 0.042,634 -0.056,635 0.027,636 0.203,637 -0.187,638 0.019,639 -0.164,640 0.152,641 -0.107,642 0.169,643 -0.266,644 -0.051,645 -0.253,646 0.103,647 -0.192,648 1.478,649 2.043,650 0.769,651 19.846,652 0.993,653 1.131,654 2.966,655 8.795,656 0.669,657 3.401,658 3.807,659 4.078,660 4.419,661 4.736,662 4.868,663 5.024,664 5.187,665 5.342,666 5.333,667 5.448,668 0.632,669 346.48,670 3.401,671 4.99,672 5.861,673 6.786,674 7.678,675 8.606,676 9.51,677 10.438,678 11.348,679 12.278,680 12.5,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,718 48,719 18,720 1,721 29,723 51,724 20,725 13,726 5,727 1,728 2,729 4,730 7,734 3,737 1,739 1,741 15,742 5,743 1,744 1,749 1,751 1,754 1,757 22,758 6,759 5,760 6,764 6,769 0.5,775 1,776 1,781 4,785 2,795 1,796 1,802 2,806 3,810 26,811 2,816 1,817 1,822 1,836 13.75,837 9.517,838 5.417,839 2.722,840 3.684,841 1.477,842 1.012,843 3.85,844 11.413,845 3.676,846 4.369,847 4.994,848 5.641,849 6.281,850 6.658,851 7.124,852 7.589,853 8.046,854 8.253,855 1,856 46,857 9.555,859 4.1,860 7.625,861 18.411,863 15.484,865 2.125,866 55.25,869 1,870 200.109,871 109.453,872 134.162,877 109.453,878 200.109,879 134.162,880 26.476,881 2.535,882 103.699,883 91.91,884 38.311,885 4.227,886 176.567,888 200.109,889 243.615,893 129.482,894 70.627,897 51.148,898 114.623,899 77.844,901 200.109,902 134.162,903 109.453,906 200.109,907 26.978,908 82.475,909 18.011,910 116.151,911 200.109,912 134.162,913 109.453,915 0.604,916 0.344,917 0.193,918 0.115,919 24,920 11,921 0.039,922 2,923 2,924 1.2,925 3.6,926 237.027,927 0.2,928 20,929 120.211,933 16.8,934 5.959,935 3.028,936 2.066,937 134.162,938 9.786,939 12.822,943 4.847,945 83.805,946 443.724,947 38.5,952 2.245,954 1.235,956 47.68,957 54.311,958 0.254,959 0.692,960 0.854,961 0.895,962 0.895,963 0.895,964 4.958,965 1.432,966 5.916,967 4.803,968 4.489,969 5.056,970 1.026,971 6.815,972 4.428,973 6.227,974 1.271,975 7.534,976 3.696,977 4.369,978 5.066,980 8.003,981 4.294,982 7.584,983 1.034,984 9.255,985 2.936,986 6.217,987 7.361,988 0.588,989 11.057,990 6.109,991 8.972,992 0.539,993 11.033,994 2.682,995 6.836,996 8.126,998 12.99,999 6.716,1000 10.387,1001 0.154,1002 12.848,1003 1.476,1004 8.245,1005 9.96,1006 0.307,1007 15.634,1008 8.098,1009 11.822,1010 -0.345,1011 14.685,1012 0.393,1013 9.183,1014 11.098,1016 17.865,1017 9.021,1018 13.274,1019 -0.498,1020 16.539,1021 -0.99,1022 10.438,1023 12.74,1024 0.149,1025 20.379,1026 10.253,1027 3.394,1028 -0.517,1029 18.406,1030 -1.242,1031 11.517,1032 14.07,1034 22.737,1035 11.313,1036 3.078,1037 11.982,1038 20.283,1039 -1.358,1040 12.721,1041 15.632,1042 0.07,1043 25.209,1044 12.496,1045 2.844,1046 10.749,1047 22.167,1048 4.631,1049 13.862,1050 17.059,1052 27.624,1053 13.617,1054 2.526,1055 8.974,1056 24.058,1057 3.885,1058 15.054,1059 18.591,1060 0.032,1061 30.086,1062 14.788,1063 2.267,1064 8.525,1065 25.954,1066 3.684,1067 16.225,1068 20.066,1070 32.527,1071 15.938,1072 2.042,1073 7.18,1074 27.855,1075 3.054,1076 17.416,1077 21.59,1078 0.015,1079 34.989,1080 17.108,1081 1.729,1082 5.785,1083 29.76,1084 3.015,1085 18.602,1086 23.09,1088 37.445,1089 18.273,1090 6849,1091 10728,1092 18.898,1093 32.125,1094 45.399,1095 44.887,1096 46.197,1097 44.582,1098 44.617,1099 59.044,1100 2.675,1101 138.363,1102 43.164,1103 5.571,1104 5.619,1105 6.682,1106 5.441,1107 5.394,1108 7.631,1109 1.36,1110 19.613,1111 5.319,1112 14.338,1113 1.565,1114 1.548,1115 1.593,1116 1.537,1117 1.539,1118 2.036,1119 0.092,1120 4.771,1121 1.488,1122 4.136,1123 4.164,1124 4.103,1125 4.073,1126 5.291,1127 4.077,1128 3.86,1129 3.916,1130 3.822,1131 3.714,1132 4.995,1133 3.729,1134 3.765,1135 3.813,1136 3.685,1137 3.656,1138 4.974,1139 3.662,1140 3.446,1141 3.506,1142 3.336,1143 3.329,1144 4.581,1145 3.322,1146 3.291,1147 3.371,1148 3.131,1149 3.134,1150 4.454,1151 3.122,1152 3.15,1153 3.235,1154 3.025,1155 2.978,1156 4.208,1157 2.985,1158 3.022,1159 3.134,1160 2.892,1161 2.743,1162 3.991,1163 2.769,1164 2.879,1165 3.009,1166 2.743,1167 2.618,1168 3.911,1169 2.618,1170 0.163,1171 0.125,1172 0.241,1173 0.151,1174 0.117,1175 4.725,1176 0.16,1177 3.619,1178 0.023,1179 7.003,1180 0.413,1181 4.372,1182 0.114,1183 3.394,1184 4.631,1185 0.68,1186 11.982,1187 3.319,1188 2.092,1189 2.071,1190 2.159,1191 2.173,1192 1.368,1193 2.17,1194 1.802,1195 1.759,1196 1.95,1197 1.977,1198 1.143,1199 1.958,1200 1.74,1201 1.696,1202 1.849,1203 1.887,1204 0.933,1205 1.893,1206 1.448,1207 1.392,1208 1.704,1209 1.614,1210 0.808,1211 1.646,1212 1.295,1213 1.224,1214 1.539,1215 1.502,1216 0.575,1217 1.524,1218 1.116,1219 1.048,1220 1.417,1221 1.376,1222 0.469,1223 1.377,1224 0.934,1225 0.83,1226 1.356,1227 1.285,1228 0.398,1229 1.308,1230 0.929,1231 0.804,1232 1.234,1233 1.239,1234 0.149,1235 1.29,1236 4.078,1238 5.46,1240 7.038,1242 8.713,1244 10.442,1246 6.462,1250 11.662,1252 0.623,1253 3.615,1258 -0.113,1262 30.343,1263 68.022,1264 185.395,1265 229.059,1266 239.814,1267 239.814,1268 239.814,1269 35.881,1270 7.73,1271 102.74,1272 102.74,1273 24,1274 12.784,1275 4.248,1276 3.392,1277 37.787,1278 85,1279 94,1280 0.225,1281 187.463,1282 314.66,1283 449.169,1284 22831,1286 18.474,1287 0.711,1288 0.583,1289 18.474,1290 15.168,1291 12.338,1292 0.425,1293 0.296,1294 8.511,1295 12.001,1296 8.148,1297 6.828,1298 12.338,1299 8.594,1300 12.377,1301 0.281,1302 0.167,1303 12.377,1304 7.347,1305 9.764,1306 0.168,1307 0.081,1308 9.764,1309 4.725,1310 8.761,1311 0.107,1312 0.045,1313 8.761,1314 3.652,1315 7.412,1316 0.066,1317 0.023,1318 7.412,1319 2.573,1320 0.339,1321 76.304,1322 0.23,1323 24.381,1324 0.659,1325 146,1326 345.893,1327 156.158,1328 352.957,1329 501.03,1330 330,1331 175,1332 391.69,1333 184.686,1334 405.782,1335 593.17,1336 380,1337 4.456}
{0 CHEMBL608428,1 1.596,2 10.292,3 2.825,4 7.982,5 95.287,6 7.276,7 0.615,8 3.914,9 4.048,10 3.45,11 3.371,12 5.062,13 3.372,14 4.416,15 4.597,16 3.782,17 3.744,18 5.508,19 3.718,20 4.563,21 4.755,22 3.827,23 3.866,24 5.58,25 3.819,26 4.677,27 4.881,28 3.781,29 3.911,30 5.71,31 3.822,32 4.784,33 5.043,34 3.511,35 3.864,36 5.686,37 3.72,38 4.703,39 4.998,40 3.369,41 3.72,42 5.465,43 3.56,44 4.483,45 4.742,46 3.366,47 3.567,48 5.375,49 3.467,50 4.389,51 4.642,52 3.446,53 3.526,54 5.334,55 3.442,56 0.068,57 0.682,58 9.841,59 3.619,60 11.537,61 5.057,62 0.316,63 1.014,64 17.942,65 6.502,66 28.881,67 8.77,68 0.201,69 1.168,70 20.566,71 7.09,72 19.994,73 10.261,74 0.318,75 1.254,76 23.438,77 8.522,78 34.356,79 12.022,80 0.508,81 1.246,82 28.027,83 8.251,84 49.148,85 12.771,86 0.35,87 1.049,88 26.9,89 8.453,90 37.165,91 12.921,92 0.356,93 0.883,94 21.251,95 6.352,96 34.203,97 9.406,98 0.216,99 0.855,100 18.576,101 5.993,102 22.767,103 9.103,104 21,105 36,106 0.276,107 0.637,108 0.772,109 0.821,110 0.852,111 0.875,112 3.228,113 0.891,114 -3.97,115 -3.93,116 -3.72,119 37.8,121 3,124 2,139 3,140 3,141 2,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 7,169 1,170 6,172 3,173 4,175 3,178 7,180 1,182 7,187 2,189 7,191 1,193 4,195 1,196 2,197 3,198 3,200 4,201 5,204 2,205 1,206 1,207 4,212 3,215 4,218 2,221 4,226 3,229 3,231 2,234 4,239 3,241 2,243 2,246 3,249 1,251 3,254 1,256 2,259 2,260 2,262 1,263 2,265 3,270 2,273 746,274 16.326,275 16.326,276 16.326,277 16.326,278 16.326,279 14.375,280 20.742,281 9.51,282 16.91,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 9.614,289 23.358,290 4.32,291 13.455,292 3.896,293 1.809,294 1.028,295 0.745,296 0.567,297 0.434,298 3.908,300 1,301 1,302 1,303 524,304 3,306 52.12,307 144.816,310 97.625,314 1.375,315 20.248,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52.5,327 247,328 4.638,329 3.263,330 6.78,331 4.155,332 3.187,333 4.608,334 0.86,335 11.107,336 3.087,337 4.266,338 3.176,339 6.172,340 3.871,341 2.903,342 3.91,343 0.86,344 9.167,345 2.81,346 3.709,347 2.686,348 5.307,349 3.278,350 2.343,351 3.155,353 6.698,354 2.19,355 3.545,356 2.504,357 5.221,358 3.165,359 2.241,360 2.855,362 6.492,363 2.064,364 3.407,365 2.101,366 5.063,367 2.9,368 1.981,369 2.789,371 5.791,372 1.819,373 3.09,374 2.065,375 4.77,376 2.781,377 1.824,378 2.256,380 5.03,381 1.737,382 2.93,383 1.913,384 4.409,385 2.574,386 1.611,387 2.069,389 4.312,390 1.545,391 2.344,392 1.264,393 3.59,394 2.019,395 1.032,396 1.294,398 2.372,399 1.018,400 2.174,401 1.036,402 3.435,403 1.742,404 0.812,405 1.094,407 2.034,408 0.753,409 1.903,410 0.915,411 3.046,412 1.63,413 0.756,414 0.843,415 1.321,416 0.653,417 1.473,418 0.842,419 2.789,420 1.213,421 0.348,422 0.383,423 0.496,424 0.297,425 1.222,426 0.307,427 2.672,428 0.978,429 0.023,430 0.027,431 0.051,432 0.022,433 1.05,434 -0.027,435 2.538,436 0.631,437 -0.296,438 -0.376,439 -0.707,440 -0.273,441 0.825,442 -0.246,443 2.275,444 0.44,445 -0.478,446 -0.584,448 -1.068,449 -0.435,450 0.661,451 -0.326,452 2.175,453 0.311,454 -0.608,455 -0.713,457 -1.318,458 -0.552,459 11.167,460 0.465,461 0.554,462 0.023,463 32,464 1.333,465 16,466 0.667,467 16,468 0.667,469 18.174,470 0.757,471 26.633,472 0.592,473 22.326,474 0.93,475 6.404,476 0.267,477 5.214,478 0.217,479 0.161,481 0.358,485 1.051,486 1.335,487 0.85,488 1.112,489 1.18,490 0.956,491 1.068,492 0.848,493 0.813,494 0.875,495 0.665,496 0.832,497 1.016,498 1.25,499 0.947,500 1.127,501 0.874,502 1.04,503 0.854,504 1.198,505 1.108,506 1.335,507 0.779,508 1.293,509 1.007,510 0.982,511 1.282,512 1.114,513 1.26,514 1.213,515 0.816,516 0.833,517 0.895,518 0.928,519 0.762,520 0.93,521 1.306,522 0.811,523 0.997,524 0.813,525 1.121,526 0.857,527 0.718,528 1.102,529 0.754,530 1.03,531 0.694,532 0.92,533 5,534 0.144,535 2.667,536 2.035,537 1.383,538 0.632,539 0.284,540 0.275,541 0.243,542 0.225,543 6399,544 17800,545 2.04,546 46.7,547 6,548 9,549 1,551 5,555 1.667,556 1.895,557 3.311,558 2.661,559 1,560 1,562 1,564 71.798,565 1.596,566 3.683,567 4.464,568 4.747,569 4.925,570 5.058,571 2.674,572 4.252,573 4.561,574 3.463,575 955.924,576 7.857,577 11510.4,579 1,581 1,582 247.133,583 1.459,584 4.507,585 0.192,586 0.008,587 0.074,588 0.055,589 0.042,590 0.027,591 0.014,592 0.013,593 0.01,594 0.01,595 0.445,596 0.17,597 1,598 0.921,599 114.92,600 -0.131,601 -0.069,602 0.029,603 -0.01,604 -0.191,605 0.041,606 0.041,607 0.254,608 0.131,609 0.185,610 0.204,611 0.161,612 -0.113,613 -0.146,614 -0.027,615 -0.069,616 -0.059,617 -0.037,618 0.032,619 -0.134,620 -0.184,621 -0.284,622 0.07,623 -0.288,624 -0.113,625 -0.002,626 -0.313,627 -0.154,628 -0.278,629 -0.243,630 -0.011,631 0.009,632 0.094,633 0.057,634 0.014,635 0.091,636 -0.184,637 0.086,638 0.011,639 0.164,640 -0.144,641 0.127,642 0.12,643 -0.161,644 0.212,645 -0.018,646 0.126,647 0.095,648 1.491,649 1.981,650 0.625,651 18.583,652 1.005,653 1.138,654 2.742,655 7.519,656 0.645,657 3.296,658 3.611,659 3.892,660 4.159,661 4.29,662 4.331,663 4.29,664 4.317,665 4.344,666 4.394,667 6.131,668 0.617,669 327.43,670 3.296,671 4.828,672 5.68,673 6.561,674 7.428,675 8.315,676 9.187,677 10.075,678 10.95,679 11.839,680 11.1,684 2,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,716 2,718 45,719 16,720 1,721 26,723 47,724 17,725 12,726 3,727 3,729 3,730 4,739 3,741 12,742 5,753 1,754 1,757 21,758 6,759 5,760 7,764 5,769 0.667,770 2,776 1,777 1,780 1,781 2,784 1,802 2,806 2,810 24,811 2,816 3,818 2,829 4.4,834 2,836 12.667,837 8.483,838 5.444,839 2.457,840 3.148,841 1.446,842 0.989,843 4.994,844 10.206,845 3.555,846 4.201,847 4.833,848 5.447,849 5.906,850 6.155,851 6.357,852 6.616,853 6.607,854 6.732,855 0.857,856 37,857 8.793,859 3.621,860 7.722,861 16.745,863 13.321,865 2.222,866 53.333,869 1,870 188.338,871 92.219,872 116.151,874 22,877 92.219,878 210.337,879 116.151,880 21.766,881 7.604,882 103.271,883 35.286,884 58.216,885 15.998,886 176.567,888 188.338,889 208.37,890 22,893 188.338,894 22,897 28.004,898 146.796,899 33.571,901 188.338,902 138.151,903 92.219,906 188.338,907 32.977,908 59.242,909 16.786,910 121.365,911 188.338,912 138.151,913 92.219,915 0.574,916 0.35,917 0.196,918 0.099,919 17,920 8,921 0.128,922 6,923 1,924 1.133,925 3.608,926 189.694,927 0.133,928 15,929 110.039,933 16.706,934 7.174,935 3.536,936 1.524,937 121.365,938 7.739,939 8.207,940 3.103,943 4.48,945 82.58,946 418.708,947 34,956 45.232,957 51.232,958 0.291,959 0.671,960 0.813,961 0.864,962 0.897,963 0.921,964 4.779,965 1.032,966 5.666,967 4.312,968 4.29,969 4.887,970 1.376,971 6.485,972 4.188,973 6.001,974 0.812,975 7.231,976 2.372,977 3.892,978 4.808,980 7.416,981 3.754,982 7.324,983 0.756,984 8.894,985 2.034,986 5.889,987 7.181,988 1.159,989 10.513,990 5.712,991 8.688,992 0.348,993 10.615,994 1.321,995 6.312,996 7.943,998 12.295,999 6.104,1000 10.084,1001 0.023,1002 12.376,1003 0.496,1004 7.776,1005 9.796,1006 0.963,1007 14.919,1008 7.542,1009 11.504,1010 -0.296,1011 14.164,1012 0.051,1013 8.585,1014 10.955,1016 17.062,1017 8.322,1018 12.943,1019 -0.478,1020 15.974,1021 -0.707,1022 9.843,1023 12.603,1024 0.787,1025 19.53,1026 9.556,1027 3.187,1028 -0.608,1029 17.801,1030 -1.068,1031 10.833,1032 13.952,1034 21.823,1035 10.518,1036 2.903,1037 11.107,1038 19.641,1039 -1.318,1040 12.012,1041 15.518,1042 0.634,1043 24.24,1044 11.671,1045 2.343,1046 9.167,1047 21.493,1048 4.608,1049 13.084,1050 16.957,1052 26.594,1053 12.715,1054 2.241,1055 6.698,1056 23.354,1057 3.91,1058 14.236,1059 18.491,1060 0.504,1061 28.996,1062 13.839,1063 1.981,1064 6.492,1065 25.223,1066 3.155,1067 15.346,1068 19.973,1070 31.376,1071 14.919,1072 1.824,1073 5.791,1074 27.098,1075 2.855,1076 16.49,1077 21.496,1078 0.395,1079 33.775,1080 16.034,1081 1.611,1082 5.03,1083 28.979,1084 2.789,1085 17.618,1086 22.998,1088 36.167,1089 17.131,1090 6281,1091 10585,1092 17.107,1093 29.029,1094 38.188,1095 38.976,1096 40.239,1097 38.087,1098 38.119,1099 50.563,1100 3.44,1101 109.743,1102 35.991,1103 5.52,1104 5.263,1105 6.349,1106 5.227,1107 5.187,1108 7.608,1109 1.72,1110 17.997,1111 5.087,1112 12.652,1113 1.469,1114 1.499,1115 1.548,1116 1.465,1117 1.466,1118 1.945,1119 0.132,1120 4.221,1121 1.384,1122 4.113,1123 4.159,1124 4.083,1125 3.983,1126 5.321,1127 4.002,1128 3.937,1129 3.956,1130 3.885,1131 3.852,1132 4.981,1133 3.857,1134 3.542,1135 3.61,1136 3.429,1137 3.383,1138 4.913,1139 3.381,1140 3.363,1141 3.445,1142 3.25,1143 3.116,1144 4.768,1145 3.144,1146 3.307,1147 3.362,1148 3.153,1149 3.014,1150 4.602,1151 3.037,1152 3.146,1153 3.237,1154 2.976,1155 2.868,1156 4.176,1157 2.859,1158 3.094,1159 3.213,1160 2.892,1161 2.801,1162 4.11,1163 2.823,1164 2.923,1165 3.01,1166 2.747,1167 2.725,1168 3.948,1169 2.731,1170 0.178,1171 0.125,1172 0.261,1173 0.16,1174 0.123,1175 4.638,1176 0.177,1177 3.263,1178 0.033,1179 6.78,1180 0.427,1181 4.155,1182 0.119,1183 3.187,1184 4.608,1185 0.86,1186 11.107,1187 3.087,1188 1.923,1189 1.902,1190 2.044,1191 2.034,1192 1.325,1193 2.033,1194 1.829,1195 1.797,1196 1.899,1197 1.999,1198 1.071,1199 1.966,1200 1.62,1201 1.559,1202 1.777,1203 1.814,1204 0.854,1205 1.819,1206 1.347,1207 1.282,1208 1.595,1209 1.593,1210 0.65,1211 1.593,1212 1.231,1213 1.168,1214 1.569,1215 1.556,1216 0.584,1217 1.561,1218 1.129,1219 1.035,1220 1.519,1221 1.432,1222 0.553,1223 1.466,1224 1.032,1225 0.94,1226 1.289,1227 1.378,1228 0.359,1229 1.363,1230 0.926,1231 0.826,1232 1.249,1233 1.255,1234 0.122,1235 1.267,1236 3.97,1238 5.283,1239 2.398,1240 6.795,1241 4.727,1242 8.403,1243 6.843,1244 10.064,1246 3.333,1250 11.602,1252 2.64,1254 10.705,1262 27.751,1263 71.798,1264 165.749,1265 200.869,1266 213.624,1267 221.624,1268 227.624,1269 34.188,1270 7.058,1271 112.07,1272 112.07,1273 17,1274 12.372,1275 4.087,1276 3.17,1277 39.41,1278 91,1279 76,1280 0.217,1281 173.132,1282 286.98,1283 414.203,1284 10877,1286 17.104,1287 0.713,1288 0.575,1289 17.104,1290 13.796,1291 11.618,1292 0.447,1293 0.297,1294 7.568,1295 11.042,1296 7.349,1297 6.147,1298 11.618,1299 7.719,1300 10.175,1301 0.283,1302 0.154,1303 10.175,1304 5.536,1305 8.633,1306 0.18,1307 0.084,1308 8.633,1309 4.038,1310 7.472,1311 0.119,1312 0.046,1313 7.472,1314 2.888,1315 5.431,1316 0.075,1317 0.025,1318 5.431,1319 1.823,1320 0.342,1321 73.785,1322 0.242,1323 23.507,1324 0.585,1325 124,1326 369.719,1327 137.917,1328 355.336,1329 491.06,1330 334,1331 146,1332 367.387,1333 159.308,1334 374.33,1335 543.45,1336 349,1337 4.929}
{0 CHEMBL60883,1 1.342,2 8.6,3 3.729,4 13.908,5 85.953,6 6.439,7 0.571,8 3.791,9 3.946,10 3.215,11 3.316,12 4.859,13 3.261,14 4.3,15 4.516,16 3.548,17 3.698,18 5.289,19 3.607,20 4.521,21 4.745,22 3.608,23 3.865,24 5.444,25 3.75,26 4.662,27 4.916,28 3.525,29 3.907,30 5.572,31 3.75,32 4.694,33 4.968,34 3.395,35 3.867,36 5.509,37 3.68,38 4.654,39 4.963,40 3.188,41 3.708,42 5.421,43 3.498,44 4.495,45 4.841,46 3.094,47 3.476,48 5.182,49 3.283,50 4.101,51 4.351,52 3.044,53 3.265,54 5.109,55 3.141,56 0.061,57 0.624,58 9.897,59 3.673,60 11.42,61 5.548,62 0.188,63 0.946,64 16.642,65 6.641,66 22.789,67 9.599,68 0.127,69 1.139,70 20.743,71 7.775,72 19.929,73 11.745,74 0.215,75 1.223,76 24.038,77 8.967,78 35.267,79 13.441,80 0.155,81 1.192,82 24.663,83 9.233,84 29.572,85 13.985,86 0.179,87 1.07,88 23.898,89 8.264,90 30.721,91 12.885,92 0.153,93 0.86,94 20.384,95 6.847,96 24.121,97 10.827,98 0.105,99 0.707,100 13.841,101 4.095,102 19.812,103 6.813,104 30,105 29,106 0.239,107 0.575,108 0.751,109 0.824,110 0.832,111 0.832,112 3.057,113 0.999,114 -4.78,115 -4.69,116 -4.41,119 38.1,120 3,121 2,122 1,139 3,140 4,142 1,144 1,147 1,157 2,158 2,159 2,166 13,169 1,170 2,172 3,173 3,175 1,178 17,180 1,182 2,187 1,189 18,191 1,193 2,195 1,196 1,197 1,198 2,200 2,201 15,204 2,205 1,207 4,212 3,215 10,218 3,221 4,226 3,229 4,231 3,234 4,239 4,241 1,243 4,246 6,251 5,256 5,260 2,265 3,270 3,273 474,274 13.093,275 13.093,276 13.093,277 13.093,278 13.093,279 11.565,280 18.69,281 7.6,282 13.274,283 10.266,284 10.266,285 10.266,286 10.266,287 10.266,288 7.927,289 21.229,290 3.499,291 10.563,292 4.05,293 2.162,294 1.173,295 0.768,296 0.721,297 0.721,298 3.711,300 1,301 1,302 1,303 350,304 2.828,307 136.46,314 1.24,315 13.371,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 42,327 172,328 4.346,329 3.253,330 6.429,331 4.014,332 3.016,333 3.979,334 0.68,335 9.859,336 3.011,337 4.218,338 3.063,339 6.088,340 3.817,341 2.854,342 3.855,344 8.838,345 2.753,346 3.616,347 2.536,348 5.261,349 3.276,350 2.306,351 2.943,353 6.677,354 2.24,355 3.374,356 2.229,357 4.916,358 2.984,359 2.027,360 2.673,362 5.636,363 1.961,364 3.145,365 2.161,366 4.888,367 2.922,368 1.939,369 2.279,371 5.195,372 1.873,373 2.823,374 1.563,375 4.131,376 2.353,377 1.418,378 1.952,380 3.657,381 1.322,382 2.34,383 1,384 3.617,385 2,386 1,387 1.299,389 2.425,390 1,391 1.817,392 0.852,393 3.129,394 1.648,395 0.656,396 0.735,398 1.284,399 0.65,400 1.529,401 0.513,402 2.763,403 1.266,404 0.311,405 0.366,407 0.614,408 0.296,409 0.964,410 -0.128,411 2.367,412 0.676,413 -0.303,414 -0.365,415 -0.608,416 -0.297,417 0.796,418 -0.314,419 2.358,420 0.393,421 -0.514,422 -0.621,423 -1.242,424 -0.466,425 0.643,426 -0.522,427 2.156,428 0.279,429 -0.711,430 -0.865,431 -1.933,432 -0.704,433 0.413,434 -0.794,435 1.888,436 0.063,437 -0.922,438 -1,439 -2,440 -0.906,441 0.039,442 -1,443 1.544,445 -1,446 -1.223,448 -2.635,449 -1,451 -1.06,452 1.373,453 -0.295,454 -1.244,455 -1.586,457 -3.395,458 -1.177,459 9.6,460 0.48,461 0.579,462 0.029,463 25,464 1.25,465 13,466 0.65,467 12,468 0.6,469 16.819,470 0.841,471 22.2,472 0.529,473 15.861,474 0.793,475 4.539,476 0.227,477 4.968,478 0.248,479 0.24,481 0.365,485 1.155,486 1.238,487 0.998,488 1.071,489 1.352,490 1.027,491 0.38,492 0.877,493 0.793,494 0.964,495 0.376,496 0.928,497 0.877,498 1.179,499 1.022,500 1.147,501 0.781,502 1.107,503 0.811,504 1.026,505 1.115,506 1.165,507 0.85,508 1.17,509 0.718,510 1.127,511 1.064,512 1.204,513 0.744,514 1.175,515 0.813,516 1.012,517 0.984,518 1.052,519 0.844,520 1.038,521 0.564,522 0.767,523 0.566,524 0.668,525 0.539,526 0.625,527 1.277,528 1.558,529 1.154,530 1.321,531 1.234,532 1.24,533 5,534 0.029,535 2.444,536 1.5,537 1.427,538 0.479,539 0.425,540 0.373,541 0.144,542 0.132,543 3385,544 7475,545 1.938,546 52.4,547 14,548 3,550 1,551 4,555 1.618,556 1.765,557 3.086,558 1.879,560 1,562 1,564 56.37,565 1.342,566 3.23,567 4.219,568 4.624,569 4.672,570 4.672,571 2.504,572 3.884,573 4.295,574 3.2,575 608.05,576 7.34,577 6217.14,578 1,579 1,581 1,582 226.477,583 1.559,584 4.219,585 0.238,586 0.007,587 0.084,588 0.05,589 0.055,590 0.022,591 0.025,592 0.022,593 0.01,594 0.017,595 0.529,596 0.17,597 1,598 1.048,599 88.408,600 -0.131,601 0.043,602 0.007,603 0.068,604 -0.242,605 0.054,606 0.449,607 0.245,608 0.183,609 0.131,610 0.362,611 0.13,612 -0.057,613 -0.084,614 -0.053,615 -0.068,616 -0.032,617 -0.062,618 0.02,619 0.005,620 -0.153,621 -0.127,622 0.019,623 -0.152,624 -0.025,625 -0.168,626 -0.12,627 -0.175,629 -0.16,630 -0.01,631 -0.12,632 -0.032,633 -0.084,634 -0.033,635 -0.064,636 0.2,637 0.033,638 0.384,639 0.263,640 0.209,641 0.33,642 -0.046,643 -0.496,644 -0.148,645 -0.356,646 -0.016,647 -0.278,648 1.449,649 1.892,650 0.6,651 14.27,652 0.985,653 1.136,654 3.549,655 12.599,656 0.64,657 3.091,658 3.401,659 3.611,660 3.807,661 3.989,662 3.892,663 3.932,664 3.97,665 3.951,666 3.892,667 5.103,668 0.591,669 270.42,670 3.091,671 4.615,672 5.442,673 6.308,674 7.155,675 8.021,676 8.875,677 9.739,678 10.596,679 11.46,680 9.5,684 2,690 2,695 4,696 2,700 6,702 12,711 2,718 42,719 12,720 1,721 21,723 43,724 16,725 10,726 3,727 3,729 2,730 2,734 3,739 2,741 10,742 6,743 1,754 1,757 22,758 4,759 4,760 4,764 4,769 1,776 1,781 2,802 2,806 3,810 20,811 2,816 2,820 1,836 11.333,837 8.233,838 4.5,839 2.661,840 2.255,841 1.36,842 0.956,843 4.482,844 8.523,845 3.332,846 3.932,847 4.46,848 4.972,849 5.486,850 5.529,851 5.747,852 6.071,853 6.39,854 6.654,855 0.833,856 30,857 7.347,859 2.958,860 7.617,861 14.251,863 11.333,865 2.117,866 42.333,867 0.001,870 211.88,871 85.99,872 99.365,877 85.99,878 211.88,879 99.365,880 26.476,881 5.069,882 94.223,883 45.342,884 21.79,885 4.227,886 200.109,888 211.88,889 185.356,893 211.88,897 42.491,898 109.293,899 33.571,901 211.88,902 99.365,903 85.99,906 211.88,907 22.038,908 63.952,910 99.365,911 211.88,912 99.365,913 85.99,915 0.582,916 0.339,917 0.177,918 0.096,919 13,920 7,921 0.093,922 4,924 1,925 3.126,926 142.865,928 12,929 84.439,933 14.639,934 6.124,935 3.426,937 99.365,938 8.333,939 8.019,943 5.632,945 65.794,946 397.235,947 27,956 41.36,957 47.73,958 0.249,959 0.599,960 0.782,961 0.858,962 0.866,963 0.866,964 4.554,965 0.656,966 5.442,967 2.425,968 4.078,969 4.615,970 0.655,971 6.232,972 4.027,973 5.77,974 0.311,975 7,976 1.284,977 3.761,978 4.477,980 7.116,981 3.695,982 7.077,983 -0.303,984 8.654,985 0.614,986 5.659,987 6.8,988 0.356,989 10.154,990 5.573,991 8.418,992 -0.514,993 10.36,994 -0.608,995 6.089,996 7.393,998 11.809,999 5.995,1000 9.785,1001 -0.711,1002 12.098,1003 -1.242,1004 7.508,1005 9.243,1006 0.18,1007 14.377,1008 7.397,1009 11.171,1010 -0.922,1011 13.86,1012 -1.933,1013 8.281,1014 10.186,1016 16.369,1017 8.167,1018 12.572,1019 -1,1020 15.638,1021 -2,1022 9.506,1023 11.82,1024 0.087,1025 18.757,1026 9.378,1027 3.016,1028 -1.244,1029 17.429,1030 -2.635,1031 10.444,1032 12.949,1034 20.902,1035 10.313,1036 2.854,1037 9.859,1038 19.231,1039 -3.395,1040 11.586,1041 14.468,1042 0.041,1043 23.217,1044 11.446,1045 2.306,1046 8.838,1047 21.04,1048 3.979,1049 12.603,1050 15.701,1052 25.431,1053 12.46,1054 2.027,1055 6.677,1056 22.857,1057 3.855,1058 13.712,1059 17.156,1060 0.019,1061 27.719,1062 13.561,1063 1.939,1064 5.636,1065 24.679,1066 2.943,1067 14.765,1068 18.447,1070 29.964,1071 14.612,1072 1.418,1073 5.195,1074 26.505,1075 2.673,1076 15.861,1077 19.867,1078 0.009,1079 32.242,1080 15.702,1081 1,1082 3.657,1083 28.336,1084 2.279,1085 16.932,1086 21.191,1088 34.503,1089 16.772,1090 3511,1091 5352,1092 13.235,1093 26.875,1094 31.274,1095 31.325,1096 32.729,1097 31.074,1098 31.054,1099 40.164,1100 1.36,1101 88.37,1102 30.212,1103 5.117,1104 5.253,1105 5.97,1106 5.083,1107 5.016,1108 6.979,1109 1.36,1110 16.32,1111 5.011,1112 12.187,1113 1.489,1114 1.492,1115 1.559,1116 1.48,1117 1.479,1118 1.913,1119 0.065,1120 4.208,1121 1.439,1122 4.016,1123 4.05,1124 3.957,1125 3.959,1126 5.291,1127 3.953,1128 3.834,1129 3.888,1130 3.79,1131 3.683,1132 4.979,1133 3.703,1134 3.514,1135 3.589,1136 3.341,1137 3.381,1138 4.713,1139 3.362,1140 3.419,1141 3.497,1142 3.242,1143 3.271,1144 4.441,1145 3.255,1146 3.136,1147 3.241,1148 2.988,1149 2.905,1150 4.136,1151 2.913,1152 2.972,1153 3.093,1154 2.801,1155 2.67,1156 4.018,1157 2.682,1158 2.874,1159 3.009,1160 2.621,1161 2.618,1162 3.747,1163 2.61,1164 2.797,1165 2.895,1166 2.53,1167 2.61,1168 3.643,1169 2.57,1170 0.207,1171 0.155,1172 0.306,1173 0.191,1174 0.144,1175 4.346,1176 0.189,1177 3.253,1178 0.032,1179 6.429,1180 0.469,1181 4.014,1182 0.143,1183 3.016,1184 3.979,1185 0.68,1186 9.859,1187 3.011,1188 1.995,1189 1.969,1190 2.114,1191 2.076,1192 1.345,1193 2.088,1194 1.772,1195 1.725,1196 1.894,1197 1.954,1198 1.077,1199 1.936,1200 1.541,1201 1.471,1202 1.832,1203 1.724,1204 1.01,1205 1.767,1206 1.432,1207 1.361,1208 1.687,1209 1.628,1210 0.732,1211 1.659,1212 1.088,1213 1.001,1214 1.417,1215 1.393,1216 0.469,1217 1.389,1218 0.934,1219 0.804,1220 1.36,1221 1.261,1222 0.379,1223 1.308,1224 0.891,1225 0.777,1226 1.228,1227 1.239,1228 0.174,1229 1.272,1230 0.795,1231 0.714,1232 1.106,1233 1.059,1234 0.135,1235 1.084,1236 3.761,1238 5.069,1240 6.572,1242 8.166,1244 9.804,1246 6.63,1250 11.412,1252 1.788,1256 0.518,1262 24.827,1263 56.37,1264 135.665,1265 177.193,1266 194.213,1267 196.213,1268 196.213,1269 30.184,1270 6.267,1271 77.82,1272 77.82,1273 12,1274 12.009,1275 3.7,1276 2.807,1277 36.402,1278 61,1279 58,1280 0.301,1281 159.074,1282 267,1283 379.9,1284 3483,1286 14.698,1287 0.735,1288 0.618,1289 14.698,1290 12.35,1291 9.507,1292 0.453,1293 0.333,1294 6.944,1295 9.301,1296 6.626,1297 5.631,1298 9.507,1299 6.994,1300 8.647,1301 0.298,1302 0.185,1303 8.647,1304 5.357,1305 6.783,1306 0.188,1307 0.098,1308 6.783,1309 3.524,1310 5.403,1311 0.123,1312 0.055,1313 5.403,1314 2.404,1315 4.287,1316 0.081,1317 0.032,1318 4.287,1319 1.67,1320 0.463,1321 58.483,1322 0.275,1323 19.791,1324 0.849,1325 100,1326 229.915,1327 106.05,1328 236.234,1329 329.34,1330 220,1331 115,1332 250.972,1333 120.329,1334 260.577,1335 374.72,1336 244,1337 4.538}
{0 CHEMBL608865,1 1.79,2 7.75,3 2.899,4 8.407,5 85.752,6 9.557,7 0.727,8 3.604,9 3.727,10 3.424,11 3.234,12 4.82,13 3.193,14 4.043,15 4.188,16 3.868,17 3.637,18 5.273,19 3.56,20 4.209,21 4.362,22 3.945,23 3.743,24 5.349,25 3.629,26 4.207,27 4.371,28 3.95,29 3.682,30 5.393,31 3.542,32 4.15,33 4.345,34 3.495,35 3.524,36 5.27,37 3.428,38 4.196,39 4.42,40 3.488,41 3.492,42 5.262,43 3.382,44 4.156,45 4.412,46 3.426,47 3.346,48 5.228,49 3.209,50 3.889,51 4.163,52 3.087,53 2.946,54 5.04,55 2.781,56 0.083,57 0.534,58 4.608,59 2.464,60 10.808,61 2.66,62 0.175,63 0.816,64 9.183,65 4.728,66 17.692,67 5.547,68 0.224,69 0.943,70 16.572,71 5.837,72 19.207,73 5.801,74 0.263,75 0.94,76 23.248,77 6.986,78 21.985,79 7.305,80 0.246,81 0.846,82 14.596,83 4.883,84 25.809,85 5.102,86 0.19,87 0.82,88 12.865,89 5.212,90 21.542,91 6.68,92 0.27,93 0.718,94 18.093,95 5.638,96 29.797,97 6.813,98 0.323,99 0.46,100 19.323,101 4.51,102 35.115,103 5.73,104 17,105 32,106 0.332,107 0.705,108 0.807,109 0.877,110 0.877,111 0.877,112 3.059,113 0.966,114 -4.75,115 -4.67,116 -4.39,119 40.6,120 1,139 4,140 1,141 3,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 2,169 1,170 2,172 3,173 4,175 3,178 8,180 1,187 1,189 5,193 3,195 1,196 2,197 3,198 2,200 4,201 5,204 2,205 1,207 1,212 3,215 3,218 1,221 4,226 5,229 3,231 4,234 2,239 3,241 2,243 1,246 4,251 4,256 4,265 1,270 1,273 474,274 13.171,275 13.171,276 13.171,277 13.171,278 13.171,279 11.115,280 12.574,281 7.618,282 13.713,283 10.872,284 10.872,285 10.872,286 10.872,287 10.872,288 7.82,289 12.47,290 3.651,291 11.855,292 3.21,293 1.199,294 0.649,295 0.274,296 0.274,297 0.274,298 3.732,299 1,300 1,301 1,302 1,303 331,304 2.236,306 38.397,307 105.604,310 72.96,314 1.175,315 16.677,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 42.833,327 155,328 4.707,329 4.594,330 6.909,331 4.218,332 3.272,333 4.68,334 2.95,335 11.585,336 3.095,337 4.051,338 3.395,339 5.738,340 3.573,341 2.663,342 3.655,344 7.822,345 2.395,346 3.819,347 2.899,348 5.442,349 3.355,350 2.435,351 3.307,353 7.061,354 2.236,355 3.441,356 2.731,357 5.139,358 2.962,359 2.041,360 2.82,362 6.029,363 1.879,364 3.311,365 2.231,366 4.943,367 2.839,368 1.97,369 2.578,371 5.544,372 1.69,373 3.167,374 2.128,375 4.735,376 2.691,377 1.764,378 2.419,380 5.145,381 1.571,382 2.679,383 1.798,384 4.204,385 2.196,386 1.257,387 1.758,389 3.399,390 1.154,391 2.512,392 1.365,393 3.483,394 2.069,395 1.126,396 1.516,398 2.58,399 1.047,400 1.357,401 0.666,402 3.065,403 0.968,404 0.093,405 0.114,407 0.265,408 0.08,409 1.14,410 0.407,411 2.728,412 0.667,413 -0.246,414 -0.329,415 -0.664,416 -0.224,417 0.936,418 0.201,419 2.467,420 0.451,421 -0.399,422 -0.503,423 -0.895,424 -0.256,425 0.772,426 -0.112,427 2.305,428 0.339,429 -0.542,430 -0.651,431 -1.324,432 -0.474,433 0.615,434 -0.333,435 2,436 0.272,437 -0.638,438 -0.753,439 -1.634,440 -0.572,441 0.243,442 -0.61,443 1.847,444 -0.12,445 -1.067,446 -1.378,448 -2.844,449 -1.003,450 0.131,451 -1.064,452 1.648,453 -0.289,454 -1.215,455 -1.7,457 -3.378,458 -1.104,459 10.048,460 0.502,461 0.63,462 0.032,463 28.75,464 1.438,465 15.5,466 0.775,467 13.25,468 0.663,469 14.357,470 0.718,471 20.552,472 0.642,473 18.072,474 0.904,475 5.532,476 0.277,477 4.009,478 0.2,479 0.2,481 0.398,485 1.047,486 1.027,487 0.629,488 0.64,489 1.229,490 0.657,491 0.451,492 0.809,493 0.616,494 0.737,495 0.359,496 0.723,497 1.298,498 1.143,499 1.258,500 1.129,501 1.077,502 0.973,503 0.545,504 1.234,505 1.18,506 1.525,507 0.577,508 1.183,509 1.387,510 1.023,511 1.124,512 1.042,513 1.351,514 1.097,515 0.853,516 1.131,517 0.663,518 0.912,519 0.874,520 1.103,521 1.051,522 0.977,523 0.903,524 0.895,525 1.129,526 0.975,527 1.135,528 0.828,529 1.276,530 0.996,531 1.063,532 1.065,533 5,534 0.012,535 2,536 2.292,537 1.307,538 0.751,539 0.301,540 0.299,541 0.114,542 0.066,543 3485,544 11784,545 2.048,546 37.5,548 4,551 5,552 3,555 1.621,556 1.875,557 2.95,558 2.917,560 1,562 1,564 57.265,565 1.79,566 3.801,567 4.351,568 4.726,569 4.726,570 4.726,571 2.448,572 4.222,573 4.295,574 3.068,575 582.992,576 7.355,577 5788.35,578 1,579 1,580 1,581 1,582 160,583 1.522,584 4.231,585 0.227,586 0.006,587 0.063,588 0.074,589 0.047,590 0.033,591 0.014,592 0.018,593 0.011,594 0.016,595 0.509,596 0.17,597 1,598 0.68,599 86.939,600 -0.256,601 0.104,602 -0.004,603 0.18,604 -0.374,605 0.132,606 0.323,607 0.259,608 0.162,609 0.197,610 0.328,611 0.164,612 -0.316,613 -0.035,614 -0.159,615 -0.012,616 -0.258,617 -0.065,618 0.319,619 -0.163,620 -0.004,621 -0.283,622 0.29,623 -0.192,624 -0.445,625 0.041,626 -0.33,627 -0.142,628 -0.381,629 -0.221,630 -0.06,631 -0.224,632 0.016,633 -0.106,634 -0.048,635 -0.144,636 -0.025,637 -0.102,638 0.065,639 0.028,640 -0.071,641 0.055,642 0.21,643 -0.083,644 0.025,645 -0.069,646 0.245,647 0.034,648 1.504,649 1.964,650 0.75,651 12.5,652 1.014,653 1.126,654 3.525,655 12.422,656 0.737,657 3.135,658 3.497,659 3.761,660 4.094,661 4.277,662 4.344,663 4.369,664 4.466,665 4.407,666 4.29,667 4.704,668 0.695,669 305.82,670 3.135,671 4.691,672 5.549,673 6.454,674 7.332,675 8.243,676 9.131,677 10.045,678 10.939,679 11.854,680 15.6,684 2,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,717 1,718 32,719 16,720 1,721 22,723 34,724 13,725 12,726 2,727 4,729 3,730 4,731 1,734 1,741 12,742 1,753 1,754 1,757 12,758 4,759 5,760 7,761 2,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 1,807 1,810 20,811 2,819 1,828 1,836 10.667,837 5.96,838 4.278,839 1.666,840 3.138,841 1.465,842 1.042,843 3.498,844 9.885,845 3.434,846 4.139,847 4.768,848 5.439,849 5.957,850 6.271,851 6.609,852 7.036,853 7.193,854 7.368,855 1,856 31,857 7.301,859 3.099,860 7.789,861 13.751,863 11.208,865 2.289,866 45.778,870 82.398,871 96.824,872 116.151,873 39.149,876 32.22,877 64.604,878 121.546,879 116.151,880 8.825,882 103.699,883 35.286,884 25.961,885 6.984,886 114.617,887 39.149,888 82.398,889 180.755,891 71.368,893 82.398,897 29.225,898 117.959,899 72.72,900 32.22,901 82.398,902 116.151,903 135.972,906 82.398,907 50.094,908 46.73,909 16.786,910 138.514,911 82.398,912 116.151,913 135.972,915 0.593,916 0.341,917 0.196,918 0.107,919 17,920 8,921 0.059,922 2,923 1,924 1.133,925 3.157,926 155.348,927 0.133,928 15,929 86.439,930 1,933 13.55,934 5.163,935 2.598,936 1.443,937 99.365,938 7.639,939 8.189,940 3.179,943 4.215,945 82.58,946 334.521,947 30,956 32.444,957 36.016,958 0.358,959 0.76,960 0.87,961 0.945,962 0.945,963 0.945,964 4.673,965 1.126,966 5.565,967 3.399,968 4.174,969 4.824,970 2.913,971 6.409,972 4.006,973 5.93,974 0.093,975 7.143,976 2.58,977 3.892,978 4.808,980 7.349,981 3.619,982 7.268,983 -0.246,984 8.818,985 0.265,986 5.796,987 7.15,988 5.027,989 10.489,990 5.49,991 8.641,992 -0.399,993 10.549,994 -0.664,995 6.275,996 7.927,998 12.299,999 5.888,1000 10.044,1001 -0.542,1002 12.318,1003 -0.895,1004 7.716,1005 9.788,1006 7.185,1007 14.983,1008 7.297,1009 11.47,1010 -0.638,1011 14.117,1012 -1.324,1013 8.566,1014 10.963,1016 17.182,1017 8.085,1018 12.917,1019 -1.067,1020 15.939,1021 -1.634,1022 9.828,1023 12.626,1024 9.348,1025 19.709,1026 9.31,1027 3.272,1028 -1.215,1029 17.782,1030 -2.844,1031 10.857,1032 13.999,1034 22.067,1035 10.285,1036 2.663,1037 11.585,1038 19.64,1039 -3.378,1040 12.055,1041 15.582,1042 11.511,1043 24.541,1044 11.442,1045 2.435,1046 7.822,1047 21.513,1048 4.68,1049 13.166,1050 17.047,1052 26.957,1053 12.501,1054 2.041,1055 7.061,1056 23.397,1057 3.655,1058 14.345,1059 18.601,1060 13.675,1061 29.414,1062 13.635,1063 1.97,1064 6.029,1065 25.29,1066 3.307,1067 15.493,1068 20.107,1070 31.852,1071 14.732,1072 1.764,1073 5.544,1074 27.191,1075 2.82,1076 16.669,1077 21.652,1078 15.838,1079 34.304,1080 15.86,1081 1.257,1082 5.145,1083 29.098,1084 2.578,1085 17.834,1086 23.177,1088 36.749,1089 16.974,1090 3448,1091 6448,1092 14.334,1093 23.58,1094 33.556,1095 36.3,1096 34.953,1097 33.377,1098 33.24,1099 45.695,1100 5.9,1101 98.856,1102 30.294,1103 5.481,1104 6.594,1105 6.465,1106 5.366,1107 5.272,1108 7.68,1109 5.9,1110 18.634,1111 5.095,1112 10.599,1113 1.525,1114 1.65,1115 1.589,1116 1.517,1117 1.511,1118 2.077,1119 0.268,1120 4.493,1121 1.377,1122 4.109,1123 4.15,1124 4.203,1125 4.014,1126 5.318,1127 4.009,1128 3.865,1129 3.886,1130 3.976,1131 3.816,1132 4.981,1133 3.807,1134 3.47,1135 3.551,1136 3.589,1137 3.259,1138 4.935,1139 3.274,1140 3.107,1141 3.222,1142 3.334,1143 2.954,1144 4.749,1145 2.888,1146 2.967,1147 3.086,1148 3.086,1149 2.795,1150 4.317,1151 2.785,1152 2.9,1153 2.926,1154 2.937,1155 2.757,1156 4.128,1157 2.745,1158 2.871,1159 2.92,1160 2.739,1161 2.673,1162 3.765,1163 2.687,1164 2.458,1165 2.579,1166 2.442,1167 2.276,1168 3.664,1169 2.235,1170 0.214,1171 0.209,1172 0.314,1173 0.192,1174 0.149,1175 4.707,1176 0.213,1177 4.594,1178 0.134,1179 6.909,1180 0.527,1181 4.218,1182 0.141,1183 3.272,1184 4.68,1185 2.95,1186 11.585,1187 3.095,1188 1.884,1189 1.87,1190 1.942,1191 2.004,1192 1.086,1193 1.971,1194 1.793,1195 1.755,1196 1.83,1197 1.922,1198 0.939,1199 1.938,1200 1.584,1201 1.53,1202 1.768,1203 1.763,1204 0.833,1205 1.771,1206 1.039,1207 0.965,1208 1.283,1209 1.383,1210 0.276,1211 1.368,1212 0.914,1213 0.825,1214 1.21,1215 1.284,1216 0.17,1217 1.28,1218 0.881,1219 0.822,1220 1.115,1221 1.054,1222 0.111,1223 1.109,1224 0.862,1225 0.795,1226 1.037,1227 1.008,1229 1.051,1230 0.653,1231 0.544,1232 0.969,1233 0.907,1235 0.942,1236 3.807,1238 5.153,1239 2.398,1240 6.686,1241 4.844,1242 8.311,1243 7.034,1244 9.987,1246 1.962,1247 6.008,1250 11.574,1255 1.568,1262 22.229,1263 57.265,1264 121.635,1265 139.245,1266 151.245,1267 151.245,1268 151.245,1269 24.87,1270 6.746,1271 93.61,1272 118.91,1273 17,1274 12.37,1275 4.087,1276 3.17,1277 29.835,1278 55,1279 52,1280 0.271,1281 146.234,1282 233.92,1283 348.571,1284 6564,1285 3.1,1286 14.276,1287 0.714,1288 0.611,1289 15.129,1290 12.217,1291 9.542,1292 0.434,1293 0.322,1294 5.926,1295 8.513,1296 5.649,1297 4.691,1298 10.239,1299 7.085,1300 9.142,1301 0.286,1302 0.183,1303 10.192,1304 5.849,1305 7.231,1306 0.172,1307 0.102,1308 8.319,1309 4.283,1310 6.631,1311 0.112,1312 0.057,1313 7.911,1314 3.339,1315 4.977,1316 0.07,1317 0.031,1318 6.069,1319 2.234,1320 0.408,1321 66.31,1322 0.264,1323 19.494,1324 0.797,1325 108,1326 307.311,1327 157.635,1328 359.445,1329 489.74,1330 334,1331 128,1332 335.183,1333 169.247,1334 367.72,1335 539.73,1336 346,1337 4.192}
{0 CHEMBL60968,1 1.705,2 10.724,3 2.043,4 4.174,5 108.562,6 7.813,7 0.531,8 4.072,9 4.188,10 3.666,11 3.486,12 5.274,13 3.521,14 4.585,15 4.756,16 4.045,17 3.872,18 5.748,19 3.896,20 4.731,21 4.875,22 4.215,23 4.082,24 5.875,25 4.093,26 4.923,27 5.083,28 4.262,29 4.185,30 6.116,31 4.155,32 5.093,33 5.309,34 4.111,35 4.172,36 6.124,37 4.118,38 5.015,39 5.242,40 3.94,41 4.036,42 6.113,43 3.964,44 4.893,45 5.148,46 3.722,47 3.893,48 5.838,49 3.8,50 4.758,51 5.034,52 3.688,53 3.762,54 5.756,55 3.657,56 0.17,57 0.781,58 10.281,59 3.981,60 17.191,61 5.153,62 0.586,63 1.18,64 20.527,65 6.742,66 42.807,67 8.787,68 0.545,69 1.448,70 21.494,71 7.713,72 28.811,73 10.39,74 0.722,75 1.628,76 26.946,77 10.418,78 54.107,79 13.859,80 0.955,81 1.678,82 36.946,83 10.459,84 76.076,85 14.966,86 1.055,87 1.467,88 35.272,89 9.844,90 92.419,91 13.918,92 0.805,93 1.241,94 32.798,95 9.283,96 72.29,97 13.54,98 0.757,99 1.09,100 29.078,101 8.695,102 64.071,103 13.387,104 46,105 47,106 0.286,107 0.643,108 0.76,109 0.782,110 0.791,111 0.818,112 3.409,113 0.839,114 -2.96,115 -2.96,116 -2.86,119 37.3,121 1,124 3,125 2,139 2,140 3,141 4,144 2,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 10,172 3,173 4,175 2,178 4,180 1,181 2,182 6,187 2,191 1,192 5,193 8,195 3,196 5,197 1,198 5,200 2,201 4,204 3,205 1,206 1,212 1,215 2,218 1,220 2,221 6,223 1,224 2,225 2,226 4,228 2,229 2,231 2,234 4,245 2,246 7,248 1,249 3,251 2,256 2,259 1,260 1,263 1,273 1169,274 19.643,275 19.643,276 19.643,277 19.643,278 19.643,279 17.534,280 29.194,281 11.085,282 20.53,283 15.585,284 15.585,285 15.585,286 15.585,287 15.585,288 12.118,289 40.885,290 4.961,291 16.758,292 3.967,293 1.836,294 1.138,295 1.006,296 0.952,297 0.79,298 4.102,301 1,302 1,303 668,304 3,307 266.535,311 203.469,314 1.684,315 34.954,318 1,319 0.83,320 1,321 1,322 0.5,323 0.83,324 0.5,325 0.81,326 65,327 311,328 4.714,329 3.485,330 6.958,331 4.273,332 3.303,333 4.667,334 0.916,335 11.779,336 3.21,337 4.443,338 3.374,339 6.555,340 4.039,341 3.095,342 4.12,343 0.86,344 10.388,345 2.918,346 4.07,347 3.019,348 6.206,349 3.701,350 2.763,351 3.596,352 0.86,353 9.157,354 2.593,355 3.775,356 2.745,357 5.97,358 3.442,359 2.51,360 3.071,361 0.86,362 8.323,363 2.334,364 3.592,365 2.555,366 5.359,367 3.137,368 2.207,369 3.012,370 0.172,371 6.663,372 2.045,373 3.388,374 2.407,375 5.19,376 2.972,377 2.061,378 2.741,380 6.118,381 1.867,382 3.355,383 2.108,384 5.03,385 2.905,386 1.976,387 2.604,389 5.84,390 1.83,391 3.029,392 1.993,393 4.756,394 2.668,395 1.734,396 2.174,398 4.85,399 1.615,400 2.667,401 1.938,402 4.47,403 2.374,404 1.442,405 1.695,407 4.228,408 1.34,409 2.144,410 1.557,411 3.806,412 1.976,413 1.075,414 1.126,415 2.649,416 0.968,417 2.106,418 1.402,419 3.7,420 1.901,421 1.011,422 1.078,423 2.207,424 0.885,425 1.576,426 0.981,427 3.205,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.485,434 0.916,435 2.86,436 1.183,437 0.327,438 0.351,439 0.556,440 0.275,441 1.389,442 0.424,443 2.859,444 1.097,445 0.179,446 0.216,448 0.359,449 0.165,450 1.187,451 0.124,452 2.66,453 0.701,454 -0.207,455 -0.279,457 -0.575,458 -0.186,459 13.233,460 0.456,461 0.798,462 0.028,463 40,464 1.379,465 19.5,466 0.672,467 20.5,468 0.707,469 23.805,470 0.821,471 32.367,472 0.635,473 32.375,474 1.116,475 8.102,476 0.279,477 5.859,478 0.202,479 0.199,481 0.446,485 1.037,486 1.471,487 0.778,488 1.18,489 1.108,490 0.946,491 1.118,492 0.802,493 0.728,494 0.686,495 0.646,496 0.635,497 0.874,498 1.297,499 0.846,500 1.094,501 0.778,502 0.968,503 0.676,504 1.249,505 0.966,506 1.38,507 0.786,508 1.282,509 1.271,510 1.094,511 1.197,512 1.077,513 1.225,514 1.112,515 1.254,516 0.871,517 1.256,518 1.029,519 1.096,520 1.131,521 1.161,522 0.867,523 1.057,524 0.926,525 1.265,526 0.968,527 0.469,528 0.854,529 0.68,530 0.917,531 0.511,532 0.865,533 6.5,534 0.206,535 3.778,536 2.875,537 2.858,538 1.41,539 0.704,540 0.514,541 0.377,542 0.314,543 9756,544 29756,545 2.049,546 43.1,548 15,551 5,553 2,555 1.722,556 1.871,557 3.362,558 2.528,559 1,560 1,564 86.966,565 1.705,566 3.837,567 4.534,568 4.667,569 4.721,570 4.883,571 2.905,572 4.392,573 4.83,574 3.513,575 1426.14,576 8.425,577 18483.8,579 1,581 1,582 289.294,583 1.528,584 4.765,585 0.203,586 0.009,587 0.08,588 0.052,589 0.053,590 0.031,591 0.02,592 0.017,593 0.013,594 0.012,595 0.491,596 0.17,597 0.88,598 0.976,599 145.005,600 -0.161,601 -0.211,602 0.032,603 -0.075,604 -0.204,605 0.018,606 -0.056,607 0.306,608 0.197,609 0.339,610 0.134,611 0.32,612 0.003,613 -0.099,614 0.002,615 -0.019,616 -0.03,617 0.002,618 0.2,619 -0.123,620 -0.093,621 -0.304,622 0.124,623 -0.29,624 -0.233,625 -0.111,626 -0.217,627 -0.103,628 -0.244,629 -0.146,630 -0.151,631 0.078,632 -0.249,633 -0.078,634 -0.043,635 -0.173,636 -0.163,637 -0.005,638 -0.026,639 0.054,640 -0.173,641 0.049,642 0.328,643 -0.015,644 0.348,645 0.084,646 0.313,647 0.2,648 1.762,649 4.535,650 0.69,651 25.653,652 1.019,653 1.14,654 1.728,655 2.987,656 0.646,657 3.497,658 3.871,659 4.22,660 4.554,661 4.836,662 4.99,663 5.13,664 5.303,665 5.476,666 5.606,667 6.226,668 0.631,669 398.47,670 3.497,671 5.069,672 5.958,673 6.876,674 7.783,675 8.705,676 9.617,677 10.54,678 11.454,679 12.379,680 11.8,684 2,686 1,690 3,694 2,695 2,696 3,700 9,702 17,711 2,714 1,715 1,716 3,718 51,719 17,720 1,721 32,723 54,724 19,725 13,726 4,727 2,729 4,730 7,736 1,739 1,741 13,742 6,754 1,757 22,758 10,759 5,760 10,764 6,769 0.5,770 4,775 1,776 1,781 4,785 2,802 2,806 3,810 29,811 2,815 1,816 3,818 3,821 1,829 7.8,831 1,834 3,836 15.5,837 10.083,838 6.472,839 2.662,840 3.489,841 1.433,842 0.969,843 5.248,844 11.551,845 3.726,846 4.407,847 5.069,848 5.713,849 6.309,850 6.681,851 7.022,852 7.43,853 7.837,854 8.125,855 1,856 55,857 10.669,859 4.561,860 7.856,861 19.957,863 16.175,865 2.356,866 68.333,870 200.109,871 91.721,872 119.275,874 75.683,877 91.721,878 275.792,879 119.275,880 32.649,881 6.746,882 84.747,883 93.04,884 65.27,885 4.227,886 200.109,888 200.109,889 210.996,890 75.683,893 178.282,894 99.225,897 8.645,898 150.279,899 50.357,901 200.109,902 194.958,903 91.721,906 200.109,907 40.119,908 54.726,910 191.834,911 200.109,912 194.958,913 91.721,915 0.586,916 0.371,917 0.217,918 0.12,919 24,920 12,921 0.074,922 4,923 2,924 1.2,925 3.818,926 272.407,927 0.2,928 20,929 132.881,933 19.757,934 7.703,935 3.371,936 0.934,937 194.958,938 3.742,939 12.327,943 4.256,945 108.478,946 486.788,947 40.5,956 51.989,957 58.149,958 0.301,959 0.676,960 0.799,961 0.823,962 0.832,963 0.861,964 4.999,965 1.734,966 5.979,967 5.84,968 4.554,969 5.094,970 1.938,971 6.87,972 4.425,973 6.243,974 1.442,975 7.59,976 4.85,977 4.29,978 5.13,979 0.325,980 7.91,981 4.12,982 7.592,983 1.075,984 9.298,985 4.228,986 6.229,987 7.412,988 1.656,989 11.046,990 6.007,991 8.976,992 1.011,993 11.06,994 2.649,995 6.746,996 8.229,997 0.393,998 12.878,999 6.489,1000 10.39,1001 0.396,1002 12.856,1003 2.207,1004 8.188,1005 10.039,1006 1.418,1007 15.55,1008 7.893,1009 11.826,1010 0.327,1011 14.677,1012 0.603,1013 9.062,1014 11.221,1015 0.384,1016 17.723,1017 8.735,1018 13.278,1019 0.179,1020 16.514,1021 0.556,1022 10.321,1023 12.851,1024 1.207,1025 20.236,1026 9.962,1027 3.303,1028 -0.207,1029 18.365,1030 0.359,1031 11.357,1032 14.21,1033 0.351,1034 22.559,1035 10.968,1036 3.095,1037 11.779,1038 20.228,1039 -0.575,1040 12.55,1041 15.769,1042 1.019,1043 25.02,1044 12.132,1045 2.763,1046 10.388,1047 22.099,1048 4.667,1049 13.659,1050 17.214,1051 0.312,1052 27.41,1053 13.212,1054 2.51,1055 9.157,1056 23.978,1057 4.12,1058 14.832,1059 18.748,1060 0.852,1061 29.856,1062 14.357,1063 2.207,1064 8.323,1065 25.863,1066 3.596,1067 15.974,1068 20.235,1069 0.273,1070 32.277,1071 15.472,1072 2.061,1073 6.663,1074 27.753,1075 3.071,1076 17.143,1077 21.761,1078 0.706,1079 34.722,1080 16.614,1081 1.976,1082 6.118,1083 29.648,1084 3.012,1085 18.301,1086 23.269,1087 0.236,1088 37.159,1089 17.746,1090 9469,1091 16660,1092 20.808,1093 32.943,1094 48.029,1095 49.601,1096 51.91,1097 48.062,1098 48.157,1099 61.804,1100 7.338,1101 147.439,1102 44.773,1103 5.66,1104 5.485,1105 6.5,1106 5.349,1107 5.303,1108 7.667,1109 1.776,1110 19.321,1111 5.21,1112 17.205,1113 1.501,1114 1.55,1115 1.622,1116 1.502,1117 1.505,1118 1.931,1119 0.229,1120 4.607,1121 1.399,1122 4.106,1123 4.141,1124 4.081,1125 3.991,1126 6.475,1127 4.009,1128 3.926,1129 3.942,1130 3.896,1131 3.815,1132 5.31,1133 3.832,1134 3.635,1135 3.693,1136 3.568,1137 3.438,1138 4.982,1139 3.463,1140 3.335,1141 3.393,1142 3.259,1143 3.101,1144 4.973,1145 3.127,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.694,1151 3.026,1152 3.235,1153 3.304,1154 3.084,1155 2.987,1156 4.58,1157 2.999,1158 3.187,1159 3.268,1160 2.986,1161 2.895,1162 4.467,1163 2.896,1164 3.094,1165 3.207,1166 2.917,1167 2.819,1168 4.324,1169 2.833,1170 0.147,1171 0.109,1172 0.217,1173 0.134,1174 0.103,1175 4.714,1176 0.146,1177 3.485,1178 0.029,1179 6.958,1180 0.368,1181 4.273,1182 0.1,1183 3.303,1184 4.667,1185 0.916,1186 11.779,1187 3.21,1188 2.025,1189 1.997,1190 2.093,1191 2.16,1192 1.364,1193 2.139,1194 1.862,1195 1.85,1196 1.926,1197 2.002,1198 1.062,1199 1.977,1200 1.559,1201 1.501,1202 1.71,1203 1.789,1204 0.834,1205 1.771,1206 1.242,1207 1.187,1208 1.59,1209 1.558,1210 0.707,1211 1.565,1212 1.227,1213 1.163,1214 1.571,1215 1.525,1216 0.584,1217 1.532,1218 1.19,1219 1.117,1220 1.53,1221 1.501,1222 0.572,1223 1.494,1224 1.153,1225 1.066,1226 1.461,1227 1.436,1228 0.556,1229 1.46,1230 1.015,1231 0.919,1232 1.288,1233 1.372,1234 0.247,1235 1.361,1236 4.174,1238 5.533,1240 7.109,1242 8.79,1244 10.525,1246 4.705,1250 11.733,1251 10.535,1252 1.719,1254 16.29,1257 2.092,1262 32.202,1263 86.966,1264 195.671,1265 231.255,1266 238.009,1267 240.764,1268 249.029,1269 49.72,1270 8.062,1271 141.87,1272 141.87,1273 24,1274 12.886,1275 4.17,1276 3.248,1277 44.65,1278 111,1279 102,1280 0.206,1281 196.783,1282 335.16,1283 471.91,1284 33888,1286 20.706,1287 0.714,1288 0.565,1289 20.706,1290 16.392,1291 13.96,1292 0.436,1293 0.28,1294 8.714,1295 13.08,1296 8.456,1297 7.018,1298 13.96,1299 8.948,1300 12.645,1301 0.269,1302 0.141,1303 12.645,1304 6.613,1305 11.185,1306 0.167,1307 0.076,1308 11.185,1309 5.078,1310 10.126,1311 0.108,1312 0.04,1313 10.126,1314 3.736,1315 8.293,1316 0.066,1317 0.021,1318 8.293,1319 2.676,1320 0.317,1321 90.062,1322 0.219,1323 26.977,1324 0.584,1325 158,1326 520.561,1327 179.757,1328 490.03,1329 674.45,1330 460,1331 193,1332 503.624,1333 215.341,1334 509.669,1335 751.64,1336 474,1337 5.301}
{0 CHEMBL609914,1 1.54,2 8.696,3 4.213,4 17.753,5 97.883,6 7.75,7 0.615,8 3.852,9 3.986,10 3.507,11 3.46,12 4.925,13 3.405,14 4.372,15 4.546,16 3.94,17 3.895,18 5.402,19 3.805,20 4.602,21 4.803,22 4.038,23 4.055,24 5.528,25 3.921,26 4.634,27 4.835,28 3.964,29 4.024,30 5.633,31 3.86,32 4.627,33 4.874,34 3.732,35 3.893,36 5.545,37 3.722,38 4.479,39 4.736,40 3.514,41 3.748,42 5.279,43 3.59,44 4.36,45 4.588,46 3.424,47 3.664,48 5.272,49 3.545,50 4.419,51 4.691,52 3.287,53 3.57,54 5.281,55 3.43,56 0.056,57 0.685,58 9.179,59 3.73,60 9.64,61 4.882,62 0.191,63 1.113,64 17.519,65 7.208,66 20.501,67 9.484,68 0.135,69 1.35,70 25.384,71 9.507,72 16.383,73 11.922,74 0.256,75 1.4,76 29.495,77 10.462,78 29.463,79 12.741,80 0.307,81 1.317,82 30.174,83 8.831,84 35.194,85 11.341,86 0.144,87 1.066,88 24.413,89 8.57,90 17.657,91 11.46,92 0.133,93 0.984,94 18.175,95 6.519,96 18.25,97 9.006,98 0.138,99 0.976,100 18.877,101 6.696,102 20.704,103 9.8,104 10,105 38,106 0.269,107 0.642,108 0.785,109 0.83,110 0.855,111 0.872,112 3.19,113 0.998,114 -5.5,115 -5.38,116 -5.02,119 40.5,120 1,121 4,139 3,140 4,141 1,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 11,169 1,170 2,172 3,173 4,175 4,178 15,180 1,182 2,187 2,189 14,191 1,193 3,195 1,196 2,197 3,198 4,200 4,201 10,204 2,205 1,207 1,212 5,215 10,218 2,221 2,226 5,229 9,231 2,234 5,239 3,241 7,243 2,246 6,251 5,254 2,256 5,260 4,265 6,270 6,273 641,274 15.585,275 15.585,276 15.585,277 15.585,278 15.585,279 13.554,280 15.411,281 9.022,282 15.986,283 12.844,284 12.844,285 12.844,286 12.844,287 12.844,288 9.736,289 13.783,290 4.281,291 13.558,292 3.853,293 1.713,294 0.893,295 0.637,296 0.494,297 0.399,298 3.887,301 1,302 1,303 443,304 2.345,306 40.756,307 156.429,310 80.329,311 86.82,314 1.214,315 15.091,317 1,318 0.75,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.86,326 48.5,327 200,328 4.702,329 4.596,330 6.877,331 4.22,332 3.266,333 4.676,334 2.95,335 11.415,336 3.12,337 4.375,338 3.454,339 6.511,340 4.002,341 3.025,342 4.027,344 10.223,345 2.958,346 3.845,347 3.062,348 5.738,349 3.394,350 2.487,351 3.324,353 7.676,354 2.247,355 3.462,356 2.727,357 5.203,358 3.052,359 2.125,360 2.824,362 6.264,363 1.959,364 3.367,365 2.301,366 5.118,367 2.921,368 1.99,369 2.657,371 5.947,372 1.845,373 3.167,374 2.007,375 4.943,376 2.715,377 1.778,378 2.411,380 5.429,381 1.655,382 2.947,383 1.825,384 4.275,385 2.618,386 1.618,387 2.114,389 3.804,390 1.618,391 2.534,392 1.72,393 4.108,394 2.273,395 1.282,396 1.544,398 3.36,399 1.27,400 2.434,401 1.451,402 3.593,403 2.15,404 1.221,405 1.429,407 2.818,408 1.118,409 2.012,410 1.242,411 3.353,412 1.837,413 0.869,414 0.969,415 2.073,416 0.834,417 1.342,418 0.553,419 2.965,420 0.967,421 0.072,422 0.088,423 0.194,424 0.063,425 1.144,426 0.331,427 2.724,428 0.749,429 -0.18,430 -0.224,431 -0.464,432 -0.167,433 0.957,434 0.014,435 2.522,436 0.549,437 -0.379,438 -0.482,439 -0.994,440 -0.347,441 0.67,442 -0.305,443 2.359,444 0.382,445 -0.59,446 -0.685,448 -1.414,449 -0.535,450 0.658,451 -0.476,452 2.229,453 0.323,454 -0.618,455 -0.73,457 -1.478,458 -0.618,459 11.333,460 0.493,461 0.627,462 0.027,463 30.5,464 1.326,465 15.5,466 0.674,467 15,468 0.652,469 19.71,470 0.857,471 24.067,472 0.573,473 18.984,474 0.825,475 5.453,476 0.237,477 5.678,478 0.247,479 0.115,481 0.397,485 1.161,486 1.052,487 0.785,488 0.792,489 1.262,490 0.809,491 0.344,492 0.876,493 0.712,494 0.892,495 0.318,496 0.868,497 0.934,498 1.092,499 1.063,500 1.052,501 0.754,502 0.964,503 0.663,504 1.198,505 1.444,506 1.468,507 0.542,508 1.247,509 1.518,510 0.97,511 1.457,512 1.177,513 1.483,514 1.081,515 0.623,516 1.026,517 1.014,518 1.112,519 0.482,520 0.982,521 1.077,522 1.103,523 1.003,524 1.058,525 0.96,526 1.115,527 0.917,528 1.093,529 0.711,530 0.898,531 0.884,532 1.039,533 4.5,534 0.049,535 2.667,536 2.479,537 1.325,538 0.702,539 0.392,540 0.339,541 0.209,542 0.125,543 5557,544 13010,545 2.141,546 45.2,547 11,548 3,551 5,555 1.659,556 2,557 3.106,558 2.675,560 1,564 64.67,565 1.54,566 3.68,567 4.499,568 4.755,569 4.898,570 4.993,571 2.459,572 4.176,573 4.501,574 3.223,575 815.362,576 7.756,577 8997.24,579 1,581 1,582 226.477,583 1.422,584 4.454,585 0.173,586 0.008,587 0.07,588 0.064,589 0.039,590 0.027,591 0.016,592 0.014,593 0.01,594 0.009,595 0.43,596 0.17,597 0.88,598 0.58,599 105.749,600 -0.185,601 0.106,602 0.047,603 0.153,604 -0.219,605 0.115,606 0.473,607 0.189,608 0.205,609 0.115,610 0.382,611 0.111,612 -0.055,613 -0.042,614 0.063,615 0.064,616 -0.008,617 0.037,618 0.261,619 -0.133,620 -0.152,621 -0.258,622 0.285,623 -0.235,624 -0.329,625 0.079,626 -0.226,627 -0.073,628 -0.345,629 -0.112,630 0.09,631 -0.118,632 0.015,633 -0.062,634 0.124,635 0.053,636 -0.165,637 -0.125,638 -0.189,639 -0.167,640 -0.105,641 -0.159,642 -0.015,643 -0.208,644 0.002,645 -0.096,646 0.023,647 -0.08,648 1.468,649 2.015,650 0.826,651 15.006,652 0.995,653 1.127,654 4.273,655 18.261,656 0.691,657 3.296,658 3.664,659 3.989,660 4.317,661 4.522,662 4.605,663 4.71,664 4.852,665 4.934,666 4.905,667 5.235,668 0.642,669 325.48,670 3.296,671 4.86,672 5.74,673 6.648,674 7.542,675 8.454,676 9.353,677 10.267,678 11.169,679 12.084,680 11.9,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,718 42,719 16,720 1,721 26,723 45,724 17,725 12,726 3,727 3,729 4,730 6,734 1,736 4,739 4,741 12,742 5,754 1,757 19,758 4,759 5,760 6,761 1,764 5,769 0.5,776 1,777 1,780 1,781 3,784 1,785 1,802 2,803 1,804 1,806 1,810 23,811 2,816 4,819 1,836 11.5,837 7.733,838 4.917,839 2.589,840 3.272,841 1.438,842 1.059,843 3.7,844 10.735,845 3.555,846 4.245,847 4.899,848 5.552,849 6.067,850 6.401,851 6.775,852 7.205,853 7.448,854 7.687,855 0.833,856 39,857 8.479,859 3.661,860 7.558,861 16.591,863 14.195,865 2.058,866 47.333,869 1,870 164.795,871 100.356,872 116.151,876 32.22,877 68.137,878 164.795,879 116.151,880 8.825,881 10.138,882 94.223,883 35.286,884 31.588,885 4.227,886 197.015,888 164.795,889 184.288,891 32.22,893 164.795,897 40.485,898 110.231,899 33.571,900 32.22,901 164.795,902 116.151,903 100.356,906 164.795,907 63.102,908 37.254,909 16.786,910 99.365,911 164.795,912 116.151,913 100.356,915 0.592,916 0.358,917 0.208,918 0.109,919 21,920 9,921 0.044,922 2,923 2,924 1.211,925 3.486,926 196.255,927 0.211,928 19,929 104.042,930 1,933 14.851,934 5.73,935 2.579,936 1.575,937 99.365,938 6.598,939 8.333,940 3.353,943 7.06,945 82.58,946 381.303,947 34,956 41.771,957 47.318,958 0.286,959 0.682,960 0.834,961 0.882,962 0.908,963 0.926,964 4.812,965 1.282,966 5.746,967 3.804,968 4.344,969 4.931,970 2.913,971 6.611,972 4.24,973 6.052,974 1.221,975 7.336,976 3.36,977 4.007,978 4.913,980 7.591,981 3.852,982 7.392,983 0.869,984 9.027,985 2.818,986 5.984,987 7.25,988 5.027,989 10.742,990 5.791,991 8.77,992 0.072,993 10.777,994 2.073,995 6.463,996 8.062,998 12.567,999 6.231,1000 10.182,1001 -0.18,1002 12.565,1003 0.194,1004 7.933,1005 9.9,1006 7.185,1007 15.236,1008 7.669,1009 11.619,1010 -0.379,1011 14.38,1012 -0.464,1013 8.794,1014 11.099,1016 17.409,1017 8.495,1018 13.075,1019 -0.59,1020 16.215,1021 -0.994,1022 10.068,1023 12.743,1024 9.348,1025 19.912,1026 9.736,1027 3.266,1028 -0.618,1029 18.066,1030 -1.414,1031 11.1,1032 14.121,1034 22.227,1035 10.733,1036 3.025,1037 11.415,1038 19.929,1039 -1.478,1040 12.299,1041 15.691,1042 11.511,1043 24.671,1044 11.899,1045 2.487,1046 10.223,1047 21.801,1048 4.676,1049 13.406,1050 17.151,1052 27.045,1053 12.967,1054 2.125,1055 7.676,1056 23.682,1057 4.027,1058 14.58,1059 18.693,1060 13.675,1061 29.47,1062 14.104,1063 1.99,1064 6.264,1065 25.568,1066 3.324,1067 15.719,1068 20.191,1070 31.869,1071 15.203,1072 1.778,1073 5.947,1074 27.46,1075 2.824,1076 16.886,1077 21.725,1078 15.838,1079 34.289,1080 16.33,1081 1.618,1082 5.429,1083 29.356,1084 2.657,1085 18.04,1086 23.241,1088 36.7,1089 17.443,1090 5240,1091 8178,1092 17.512,1093 29.006,1094 39.604,1095 42.481,1096 41.06,1097 39.48,1098 39.467,1099 52.124,1100 5.9,1101 118.406,1102 37.371,1103 5.647,1104 6.596,1105 6.566,1106 5.377,1107 5.266,1108 7.676,1109 5.9,1110 18.607,1111 5.12,1112 10.091,1113 1.523,1114 1.634,1115 1.579,1116 1.518,1117 1.518,1118 2.005,1119 0.227,1120 4.554,1121 1.437,1122 4.117,1123 4.156,1124 4.195,1125 4.032,1126 5.319,1127 4.024,1128 3.977,1129 4.01,1130 3.944,1131 3.905,1132 4.981,1133 3.907,1134 3.521,1135 3.579,1136 3.581,1137 3.425,1138 4.77,1139 3.396,1140 3.432,1141 3.51,1142 3.334,1143 3.24,1144 4.677,1145 3.247,1146 3.144,1147 3.245,1148 3.131,1149 3.025,1150 4.11,1151 2.99,1152 3.106,1153 3.192,1154 2.985,1155 2.846,1156 4.06,1157 2.855,1158 3.014,1159 3.143,1160 2.789,1161 2.703,1162 3.86,1163 2.715,1164 2.77,1165 2.844,1166 2.776,1167 2.653,1168 3.696,1169 2.632,1170 0.181,1171 0.177,1172 0.265,1173 0.162,1174 0.126,1175 4.702,1176 0.18,1177 4.596,1178 0.113,1179 6.877,1180 0.439,1181 4.22,1182 0.12,1183 3.266,1184 4.676,1185 2.95,1186 11.415,1187 3.12,1188 1.994,1189 1.97,1190 2.118,1191 2.066,1192 1.438,1193 2.09,1194 1.828,1195 1.791,1196 1.887,1197 2.01,1198 1.036,1199 1.972,1200 1.577,1201 1.53,1202 1.757,1203 1.733,1204 0.946,1205 1.752,1206 1.498,1207 1.441,1208 1.678,1209 1.659,1210 0.77,1211 1.685,1212 1.157,1213 1.09,1214 1.464,1215 1.417,1216 0.708,1217 1.412,1218 1.07,1219 0.973,1220 1.308,1221 1.35,1222 0.344,1223 1.38,1224 0.945,1225 0.825,1226 1.262,1227 1.337,1228 0.323,1229 1.342,1230 0.802,1231 0.735,1232 1.122,1233 0.99,1234 0.076,1235 1.039,1236 3.97,1238 5.323,1239 2.398,1240 6.878,1241 4.844,1242 8.529,1243 7.034,1244 10.229,1246 2.048,1250 11.714,1252 4.903,1255 1.749,1262 26.982,1263 64.67,1264 154.549,1265 188.968,1266 199.722,1267 205.722,1268 209.722,1269 27.567,1270 7.463,1271 93.61,1272 118.91,1273 23,1274 12.598,1275 4.087,1276 3.17,1277 31.793,1278 73,1279 63,1280 0.219,1281 168.877,1282 275.55,1283 403.821,1284 17301,1286 15.974,1287 0.695,1288 0.601,1289 16.328,1290 13.834,1291 11.131,1292 0.428,1293 0.333,1294 7.837,1295 10.429,1296 7.556,1297 6.26,1298 11.539,1299 8.648,1300 10.381,1301 0.273,1302 0.185,1303 11.023,1304 7.025,1305 8.966,1306 0.169,1307 0.107,1308 9.791,1309 5.682,1310 8.209,1311 0.111,1312 0.06,1313 9.118,1314 4.451,1315 6.313,1316 0.069,1317 0.036,1318 7.302,1319 3.276,1320 0.334,1321 72.671,1322 0.239,1323 22.124,1324 0.628,1325 128,1326 303.108,1327 162.672,1328 327.763,1329 467.55,1330 308,1331 155,1332 350.32,1333 186.377,1334 374.105,1335 554.96,1336 354,1337 5.34}
{0 CHEMBL610181,1 1.616,2 8.682,3 2.397,4 5.748,5 87.376,6 7.799,7 0.667,8 3.76,9 3.878,10 3.358,11 3.261,12 4.983,13 3.272,14 4.216,15 4.372,16 3.71,17 3.617,18 5.411,19 3.612,20 4.324,21 4.477,22 3.753,23 3.721,24 5.464,25 3.703,26 4.459,27 4.631,28 3.751,29 3.763,30 5.66,31 3.711,32 4.552,33 4.765,34 3.476,35 3.739,36 5.565,37 3.635,38 4.491,39 4.748,40 3.38,41 3.622,42 5.394,43 3.495,44 4.332,45 4.592,46 3.372,47 3.407,48 5.357,49 3.343,50 4.092,51 4.309,52 3.265,53 3.22,54 5.258,55 3.172,56 0.071,57 0.572,58 7.315,59 3.09,60 11.267,61 3.833,62 0.291,63 0.845,64 13.297,65 5.374,66 25.543,67 6.694,68 0.148,69 0.962,70 14.036,71 5.61,72 15.362,73 7.232,74 0.339,75 1.032,76 17.148,77 6.886,78 34.504,79 9.003,80 0.386,81 1.053,82 20.766,83 7.229,84 39.397,85 9.52,86 0.238,87 0.952,88 20.748,89 7.616,90 28.538,91 10.831,92 0.382,93 0.818,94 18.215,95 5.353,96 35.577,97 7.775,98 0.296,99 0.672,100 13.129,101 4.149,102 26.657,103 5.888,104 18,105 34,106 0.288,107 0.686,108 0.806,109 0.862,110 0.871,111 0.871,112 3.147,113 0.84,114 -4.14,115 -4.09,116 -3.87,119 42.1,120 1,124 1,134 1,135 1,139 4,140 3,141 1,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 9,169 2,170 6,172 3,173 3,175 1,178 10,180 1,182 6,187 1,189 9,191 1,192 1,193 6,195 3,196 3,197 1,198 2,200 2,201 8,204 2,205 1,207 5,212 2,215 5,218 2,221 6,226 3,229 3,231 3,233 1,234 4,239 2,241 1,243 2,245 2,246 5,248 1,249 1,251 4,256 4,260 2,265 2,270 2,273 576,274 14.801,275 14.801,276 14.801,277 14.801,278 14.801,279 12.625,280 13.063,281 8.598,282 15.151,283 11.771,284 11.771,285 11.771,286 11.771,287 11.771,288 8.501,289 14.929,290 3.962,291 12.248,292 3.632,293 1.395,294 0.724,295 0.408,296 0.356,297 0.356,298 3.823,300 1,301 1,302 1,303 406,304 2.915,306 44.789,307 125.56,310 84.25,314 1.256,315 18.626,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48,327 191,328 4.653,329 3.241,330 6.788,331 4.181,332 3.201,333 4.622,334 0.86,335 11.141,336 3.139,337 4.337,338 3.128,339 6.442,340 3.944,341 2.966,342 3.956,344 9.9,345 2.902,346 3.753,347 2.495,348 5.362,349 3.294,350 2.354,351 3.211,353 6.838,354 2.213,355 3.469,356 2.295,357 5.063,358 2.999,359 2.044,360 2.827,362 5.815,363 1.945,364 3.39,365 2.065,366 5.031,367 2.919,368 1.978,369 2.708,371 5.709,372 1.859,373 2.964,374 1.748,375 4.699,376 2.581,377 1.616,378 2.127,380 4.694,381 1.555,382 2.917,383 1.597,384 3.864,385 2.459,386 1.487,387 2.083,389 3.189,390 1.437,391 2.545,392 1.107,393 3.591,394 2.014,395 1.017,396 1.51,398 2.522,399 1.014,400 2.265,401 0.937,402 3.57,403 1.794,404 0.815,405 1.161,407 2.061,408 0.797,409 1.656,410 0.852,411 2.833,412 1.345,413 0.468,414 0.535,415 0.719,416 0.406,417 1.179,418 0.057,419 2.683,420 0.857,421 -0.097,422 -0.117,423 -0.251,424 -0.092,425 0.995,426 -0.219,427 2.589,428 0.545,429 -0.391,430 -0.52,431 -1.028,432 -0.365,433 0.774,434 -0.277,435 2.246,436 0.367,437 -0.569,438 -0.695,439 -1.191,440 -0.527,441 0.605,442 -0.402,443 2,444 0.293,445 -0.655,446 -0.767,448 -1.517,449 -0.618,450 0.544,451 -0.79,452 2,453 0.097,454 -0.888,455 -1.219,457 -2.076,458 -0.874,459 10.267,460 0.467,461 0.575,462 0.026,463 31.5,464 1.432,465 17,466 0.773,467 14.5,468 0.659,469 14.629,470 0.665,471 23.333,472 0.614,473 22.24,474 1.011,475 6.484,476 0.295,477 4.113,478 0.187,479 0.175,481 0.39,485 1.024,486 1.176,487 0.782,488 0.999,489 1.245,490 0.857,491 0.935,492 0.725,493 0.697,494 0.778,495 0.621,496 0.727,497 0.996,498 1.232,499 0.91,500 1.123,501 0.9,502 1.014,503 0.786,504 1.124,505 0.984,506 1.228,507 0.587,508 1.176,509 1.339,510 0.981,511 1.349,512 1.115,513 1.333,514 1.221,515 0.69,516 1.045,517 0.887,518 1.111,519 0.635,520 1.061,521 0.981,522 0.835,523 0.841,524 0.761,525 1.014,526 0.758,527 0.902,528 1.208,529 0.945,530 1.103,531 0.801,532 1.05,533 4.5,534 0.054,535 2.667,536 2.222,537 1.227,538 0.799,539 0.341,540 0.35,541 0.175,542 0.124,543 4645,544 13463,545 2.043,546 42.1,547 3,548 8,549 1,551 4,555 1.647,556 1.886,557 3.104,558 1.87,559 1,560 1,562 1,564 61.421,565 1.616,566 3.853,567 4.524,568 4.84,569 4.892,570 4.892,571 2.517,572 4.278,573 4.435,574 3.23,575 746.123,576 7.625,577 8067.23,578 1,579 1,581 1,582 199.421,583 1.495,584 4.376,585 0.188,586 0.011,587 0.078,588 0.063,589 0.037,590 0.033,591 0.016,592 0.016,593 0.009,594 0.011,595 0.462,596 0.5,597 1,598 0.853,599 100.082,600 -0.136,601 -0.009,602 0.023,603 0.014,604 -0.297,605 0.054,606 0.139,607 0.335,608 0.201,609 0.238,610 0.221,611 0.218,612 -0.118,613 -0.139,614 -0.055,615 -0.117,616 -0.112,617 -0.075,618 0.185,619 -0.107,620 -0.081,621 -0.217,622 0.306,623 -0.214,624 -0.29,625 -0.024,626 -0.385,627 -0.129,628 -0.375,629 -0.252,630 0.051,631 -0.187,632 0.111,633 -0.082,634 0.097,635 0.004,636 0.066,637 0.083,638 0.209,639 0.183,640 0.012,641 0.229,642 0.206,643 -0.234,644 0.052,645 -0.162,646 0.247,647 -0.104,648 1.573,649 1.928,650 0.682,651 14.926,652 1.01,653 1.129,654 2.913,655 8.483,656 0.671,657 3.219,658 3.555,659 3.85,660 4.143,661 4.263,662 4.304,663 4.344,664 4.419,665 4.419,666 4.357,667 5.231,668 0.649,669 296.36,670 3.219,671 4.762,672 5.624,673 6.518,674 7.394,675 8.293,676 9.175,677 10.075,678 10.96,679 11.862,680 10.5,684 2,690 2,694 2,695 5,696 2,698 1,700 5,702 16,711 2,716 1,718 38,719 17,720 1,721 24,723 40,724 16,725 12,726 2,727 4,728 2,729 3,730 4,734 1,741 14,742 2,744 1,749 1,751 1,753 1,754 1,756 1,757 16,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,780 1,781 2,784 1,795 1,796 1,802 2,806 2,810 22,811 2,818 1,829 5.3,834 2,836 11.667,837 7.4,838 4.889,839 1.985,840 3.77,841 1.548,842 1.003,843 3.835,844 10.646,845 3.526,846 4.201,847 4.861,848 5.515,849 6.015,850 6.36,851 6.756,852 7.174,853 7.437,854 7.752,855 0.833,856 35,857 8.032,859 3.344,860 7.788,861 15.077,863 11.934,865 2.288,866 50.333,870 141.253,871 104.837,872 99.365,874 20.507,877 104.837,878 161.76,879 99.365,880 19.708,882 124.915,883 37.978,884 37.88,885 15.998,886 129.482,888 141.253,889 204.202,890 20.507,893 141.253,894 20.507,897 15.132,898 146.023,899 43.047,901 141.253,902 119.873,903 104.837,906 141.253,907 26.008,908 78.829,910 119.873,911 141.253,912 119.873,913 104.837,915 0.582,916 0.355,917 0.204,918 0.1,919 17,920 8,921 0.075,922 3,923 1,924 1.133,925 3.347,926 174.465,927 0.133,928 15,929 96.107,933 14.569,934 5.792,935 2.718,936 1.035,937 119.873,938 9.384,939 8.016,941 5.417,943 2.995,945 65.794,946 365.962,947 33,952 1.958,954 1.011,956 38.363,957 42.903,958 0.308,959 0.734,960 0.862,961 0.922,962 0.932,963 0.932,964 4.754,965 1.017,966 5.624,967 3.189,968 4.234,969 4.887,970 0.908,971 6.469,972 4.165,973 5.999,974 0.815,975 7.206,976 2.522,977 3.892,978 4.796,980 7.448,981 3.794,982 7.332,983 0.468,984 8.889,985 2.061,986 5.855,987 7.201,988 0.739,989 10.572,990 5.736,991 8.705,992 -0.097,993 10.631,994 0.719,995 6.33,996 7.952,998 12.394,999 6.192,1000 10.11,1001 -0.391,1002 12.413,1003 -0.251,1004 7.782,1005 9.828,1006 0.593,1007 15.038,1008 7.628,1009 11.539,1010 -0.569,1011 14.222,1012 -1.028,1013 8.631,1014 10.983,1016 17.2,1017 8.461,1018 12.986,1019 -0.655,1020 16.051,1021 -1.191,1022 9.887,1023 12.643,1024 0.469,1025 19.68,1026 9.702,1027 3.201,1028 -0.888,1029 17.896,1030 -1.517,1031 10.904,1032 13.993,1034 21.978,1035 10.703,1036 2.966,1037 11.141,1038 19.752,1039 -2.076,1040 12.086,1041 15.564,1042 0.366,1043 24.399,1044 11.869,1045 2.354,1046 9.9,1047 21.618,1048 4.622,1049 13.175,1050 17.005,1052 26.752,1053 12.941,1054 2.044,1055 6.838,1056 23.491,1057 3.956,1058 14.332,1059 18.543,1060 0.283,1061 29.154,1062 14.08,1063 1.978,1064 5.815,1065 25.37,1066 3.211,1067 15.453,1068 20.026,1070 31.531,1071 15.183,1072 1.616,1073 5.709,1074 27.254,1075 2.827,1076 16.601,1077 21.552,1078 0.217,1079 33.928,1080 16.313,1081 1.487,1082 4.694,1083 29.141,1084 2.708,1085 17.736,1086 23.056,1088 36.316,1089 17.43,1090 4581,1091 7927,1092 15.72,1093 25.5,1094 36.395,1095 36.265,1096 37.82,1097 35.895,1098 35.888,1099 49.48,1100 1.72,1101 105.178,1102 34.534,1103 5.316,1104 5.241,1105 6.48,1106 5.252,1107 5.201,1108 7.622,1109 1.72,1110 18.077,1111 5.139,1112 11.421,1113 1.516,1114 1.511,1115 1.576,1116 1.496,1117 1.495,1118 2.062,1119 0.072,1120 4.382,1121 1.439,1122 4.098,1123 4.116,1124 4.079,1125 3.977,1126 5.365,1127 3.995,1128 3.914,1129 3.935,1130 3.864,1131 3.824,1132 4.987,1133 3.834,1134 3.502,1135 3.56,1136 3.421,1137 3.37,1138 4.953,1139 3.371,1140 3.299,1141 3.362,1142 3.197,1143 3.055,1144 4.865,1145 3.086,1146 3.249,1147 3.315,1148 3.062,1149 2.966,1150 4.404,1151 2.976,1152 3.079,1153 3.197,1154 2.958,1155 2.728,1156 4.252,1157 2.777,1158 2.8,1159 2.883,1160 2.611,1161 2.665,1162 4.125,1163 2.641,1164 2.746,1165 2.837,1166 2.504,1167 2.55,1168 3.691,1169 2.522,1170 0.194,1171 0.135,1172 0.283,1173 0.174,1174 0.133,1175 4.653,1176 0.193,1177 3.241,1178 0.036,1179 6.788,1180 0.464,1181 4.181,1182 0.131,1183 3.201,1184 4.622,1185 0.86,1186 11.141,1187 3.139,1188 1.942,1189 1.923,1190 2.04,1191 2.03,1192 1.169,1193 2.029,1194 1.801,1195 1.771,1196 1.856,1197 1.972,1198 0.959,1199 1.938,1200 1.539,1201 1.504,1202 1.71,1203 1.714,1204 0.744,1205 1.715,1206 1.239,1207 1.197,1208 1.573,1209 1.514,1210 0.574,1211 1.532,1212 1.197,1213 1.123,1214 1.462,1215 1.489,1216 0.414,1217 1.485,1218 0.958,1219 0.88,1220 1.245,1221 1.356,1222 0.193,1223 1.33,1224 0.854,1225 0.762,1226 1.149,1227 1.22,1228 0.124,1229 1.214,1230 0.828,1231 0.737,1232 1.117,1233 1.016,1235 1.059,1236 3.892,1238 5.22,1239 2.398,1240 6.749,1241 4.727,1242 8.373,1243 6.843,1244 10.047,1246 3.638,1250 11.498,1254 5.382,1262 24.676,1263 61.421,1264 146.402,1265 171.911,1266 183.911,1267 185.911,1268 185.911,1269 28.819,1270 6.876,1271 100.19,1272 100.19,1273 17,1274 12.386,1275 4.17,1276 3.322,1277 34.416,1278 70,1279 62,1280 0.25,1281 153.818,1282 256.04,1283 367.076,1284 8121,1286 15.69,1287 0.713,1288 0.56,1289 15.69,1290 12.33,1291 10.597,1292 0.442,1293 0.28,1294 6.596,1295 10.12,1296 6.377,1297 5.356,1298 10.597,1299 6.717,1300 9.558,1301 0.281,1302 0.143,1303 9.558,1304 4.866,1305 8.031,1306 0.175,1307 0.074,1308 8.031,1309 3.411,1310 7.227,1311 0.117,1312 0.039,1313 7.227,1314 2.396,1315 5.191,1316 0.074,1317 0.02,1318 5.191,1319 1.431,1320 0.383,1321 66.997,1322 0.252,1323 21.388,1324 0.711,1325 116,1326 357.386,1327 128.915,1328 345.808,1329 480.36,1330 324,1331 138,1332 365.233,1333 150.639,1334 371.883,1335 542.93,1336 347,1337 4.733}
{0 CHEMBL610498,1 1.882,2 8.429,3 3.564,4 12.701,5 90.556,6 10.633,7 0.696,8 3.613,9 3.726,10 3.514,11 3.268,12 4.848,13 3.227,14 4.054,15 4.186,16 3.981,17 3.681,18 5.319,19 3.606,20 4.228,21 4.359,22 4.179,23 3.821,24 5.434,25 3.702,26 4.227,27 4.368,28 4.077,29 3.731,30 5.491,31 3.598,32 4.161,33 4.344,34 3.773,35 3.588,36 5.314,37 3.485,38 4.211,39 4.417,40 3.733,41 3.558,42 5.342,43 3.457,44 4.181,45 4.408,46 3.571,47 3.398,48 5.379,49 3.26,50 3.888,51 4.163,52 3.266,53 3.032,54 4.955,55 2.877,56 0.114,57 0.523,58 2.963,59 2.327,60 12.283,61 2.263,62 0.212,63 0.798,64 7.14,65 4.506,66 18.865,67 5.138,68 0.305,69 0.912,70 17.27,71 5.873,72 23.846,73 5.132,74 0.35,75 0.928,76 23.886,77 7.042,78 30.033,79 6.892,80 0.305,81 0.831,82 14.955,83 5.031,84 29.266,85 4.537,86 0.281,87 0.8,88 11.54,89 5.333,90 25.304,91 6.356,92 0.423,93 0.696,94 22.083,95 6.07,96 41.463,97 6.609,98 0.31,99 0.468,100 17.662,101 4.815,102 31.026,103 5.827,104 26,105 34,106 0.349,107 0.719,108 0.814,109 0.877,110 0.877,111 0.877,112 3.104,113 0.987,114 -5.01,115 -4.91,116 -4.6,119 40.6,120 1,139 3,140 1,141 4,144 1,147 1,149 1,155 1,157 2,158 2,159 2,166 1,169 1,170 2,172 3,173 4,175 3,178 6,180 1,187 1,189 8,193 3,195 1,196 2,197 3,198 2,200 4,201 3,204 2,205 1,207 1,212 2,215 5,218 1,221 2,226 6,229 3,231 3,234 6,239 3,241 1,243 3,251 2,254 1,256 1,260 2,265 4,270 4,273 536,274 13.671,275 13.671,276 13.671,277 13.671,278 13.671,279 11.562,280 13.264,281 7.774,282 14.318,283 11.333,284 11.333,285 11.333,286 11.333,287 11.333,288 8.204,289 12.893,290 3.704,291 12.554,292 3.118,293 1.121,294 0.61,295 0.274,296 0.274,297 0.274,298 3.776,299 2,300 1,301 1,302 1,303 377,304 2.345,306 41.08,307 112.796,310 78,314 1.116,315 20.639,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 45.167,327 177,328 4.708,329 4.614,330 6.911,331 4.22,332 3.275,333 4.681,334 2.95,335 11.593,336 3.095,337 4.227,338 3.484,339 6.077,340 3.738,341 2.844,342 3.88,344 8.783,345 2.485,346 3.829,347 2.978,348 5.653,349 3.37,350 2.454,351 3.314,353 7.345,354 2.244,355 3.469,356 2.778,357 5.142,358 2.974,359 2.111,360 2.832,362 6.046,363 1.879,364 3.421,365 2.453,366 4.967,367 2.943,368 2.03,369 2.754,371 5.804,372 1.72,373 3.205,374 2.188,375 4.926,376 2.727,377 1.805,378 2.471,380 5.416,381 1.639,382 2.845,383 2.105,384 4.301,385 2.356,386 1.475,387 1.976,389 3.88,390 1.235,391 2.535,392 1.79,393 4.083,394 2.102,395 1.186,396 1.546,398 3.268,399 1.069,400 1.621,401 1.034,402 3.155,403 1.183,404 0.363,405 0.44,407 0.914,408 0.272,409 1.145,410 0.542,411 2.729,412 0.676,413 -0.207,414 -0.254,415 -0.544,416 -0.164,417 1.05,418 0.256,419 2.538,420 0.63,421 -0.261,422 -0.342,423 -0.694,424 -0.232,425 0.797,426 -0.11,427 2.359,428 0.33,429 -0.514,430 -0.621,431 -1.242,432 -0.293,433 0.664,434 -0.125,435 2.351,436 0.271,437 -0.577,438 -0.672,439 -1.35,440 -0.518,441 0.33,442 -0.333,443 2.097,444 -0.028,445 -0.901,446 -1.08,448 -2.388,449 -0.728,450 0.153,451 -0.615,452 1.702,453 -0.255,454 -1.147,455 -1.49,457 -3.165,458 -1.025,459 10.762,460 0.512,461 0.72,462 0.034,463 29.5,464 1.405,465 15.5,466 0.738,467 14,468 0.667,469 16.551,470 0.788,471 21.638,472 0.676,473 18.843,474 0.897,475 5.621,476 0.268,477 4.332,478 0.206,479 0.254,481 0.418,485 0.956,486 1.021,487 0.573,488 0.581,489 1.127,490 0.602,491 0.498,492 0.795,493 0.581,494 0.665,495 0.388,496 0.652,497 1.271,498 1.123,499 1.102,500 1.006,501 1.093,502 0.907,503 0.626,504 1.246,505 1.203,506 1.583,507 0.621,508 1.228,509 1.202,510 1.009,511 0.85,512 0.889,513 1.246,514 1.018,515 0.773,516 1.132,517 0.628,518 0.865,519 0.823,520 1.043,521 1.092,522 1.022,523 1.16,524 1.136,525 1.12,526 1.185,527 1.071,528 0.759,529 0.874,530 0.661,531 1.114,532 0.799,533 5.5,534 0.041,535 2.667,536 2.354,537 1.498,538 0.893,539 0.491,540 0.282,541 0.252,542 0.04,543 3920,544 15169,545 2.018,546 34.4,548 3,551 5,552 3,555 1.635,556 1.826,557 3.024,558 2.892,560 1,562 1,564 60.231,565 1.882,566 3.879,567 4.39,568 4.726,569 4.726,570 4.726,571 2.403,572 4.297,573 4.365,574 3.128,575 656.93,576 7.496,577 6731.83,578 1,579 1,580 1,581 1,582 160,583 1.545,584 4.289,585 0.239,586 0.021,587 0.078,588 0.069,589 0.05,590 0.036,591 0.02,592 0.016,593 0.021,594 0.006,595 0.556,596 0.17,597 1,598 0.702,599 93.034,600 -0.25,601 0.112,602 -0.019,603 0.184,604 -0.357,605 0.138,606 0.235,607 0.273,608 0.134,609 0.226,610 0.283,611 0.203,612 -0.318,613 -0.017,614 -0.068,615 0.075,616 -0.265,617 -0.031,618 0.254,619 -0.179,620 -0.102,621 -0.381,622 0.264,623 -0.258,624 -0.352,625 0.063,626 -0.111,627 0.001,628 -0.35,629 -0.145,630 0.033,631 -0.222,632 0.092,633 -0.046,634 0.004,635 -0.068,636 -0.012,637 -0.148,638 -0.111,639 -0.18,640 -0.026,641 -0.133,642 0.041,643 0.008,644 0.222,645 0.304,646 0.02,647 0.381,648 1.526,649 2.106,650 0.714,651 13.642,652 1.024,653 1.124,654 3.781,655 14.293,656 0.764,657 3.178,658 3.555,659 3.829,660 4.143,661 4.344,662 4.419,663 4.431,664 4.543,665 4.522,666 4.394,667 4.866,668 0.721,669 340.26,670 3.178,671 4.745,672 5.609,673 6.518,674 7.403,675 8.315,676 9.209,677 10.123,678 11.022,679 11.936,680 15.6,684 2,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,717 2,718 32,719 16,720 1,721 23,723 34,724 13,725 12,726 3,727 3,729 3,730 4,731 2,734 1,741 12,742 1,753 1,754 1,757 11,758 4,759 5,760 8,761 3,764 5,769 0.667,776 1,777 1,780 1,781 2,784 1,802 2,803 1,804 1,806 1,807 2,810 21,811 2,819 1,828 2,836 11.5,837 6.019,838 4.472,839 1.653,840 3.179,841 1.464,842 1.036,843 3.92,844 10.032,845 3.466,846 4.186,847 4.817,848 5.475,849 6.005,850 6.321,851 6.646,852 7.079,853 7.264,854 7.454,855 0.833,856 34,857 7.661,859 3.275,860 7.86,861 14.312,863 11.69,865 2.36,866 49.556,870 70.627,871 90.848,872 116.151,873 78.297,876 32.22,877 58.629,878 148.924,879 116.151,880 8.825,882 94.223,883 35.286,884 29.461,885 6.984,886 102.846,887 78.297,888 70.627,889 174.78,891 110.517,893 70.627,897 29.225,898 111.983,899 111.868,900 32.22,901 70.627,902 116.151,903 169.145,906 70.627,907 53.594,908 37.254,909 16.786,910 177.663,911 70.627,912 116.151,913 169.145,915 0.6,916 0.35,917 0.195,918 0.107,919 18,920 9,921 0.059,922 2,923 1,924 1.133,925 3.203,926 167.252,927 0.133,928 15,929 92.239,930 1,933 14.78,934 5.57,935 2.786,936 1.364,937 99.365,938 5.354,939 8.171,940 3.159,943 4.379,945 82.58,946 355.923,947 31,956 32.767,957 35.96,958 0.376,959 0.776,960 0.878,961 0.945,962 0.945,963 0.945,964 4.718,965 1.186,966 5.638,967 3.88,968 4.234,969 4.871,970 2.913,971 6.497,972 4.035,973 5.986,974 0.363,975 7.232,976 3.268,977 4.007,978 4.913,980 7.469,981 3.681,982 7.334,983 -0.207,984 8.921,985 0.914,986 5.878,987 7.212,988 5.027,989 10.597,990 5.526,991 8.717,992 -0.261,993 10.663,994 -0.544,995 6.399,996 8.026,998 12.406,999 5.944,1000 10.127,1001 -0.514,1002 12.44,1003 -0.694,1004 7.816,1005 9.858,1006 7.185,1007 15.081,1008 7.337,1009 11.559,1010 -0.577,1011 14.244,1012 -1.242,1013 8.689,1014 11.049,1016 17.265,1017 8.132,1018 13.01,1019 -0.901,1020 16.069,1021 -1.35,1022 9.938,1023 12.696,1024 9.348,1025 19.784,1026 9.348,1027 3.275,1028 -1.147,1029 17.911,1030 -2.388,1031 10.974,1032 14.071,1034 22.126,1035 10.323,1036 2.844,1037 11.593,1038 19.768,1039 -3.165,1040 12.164,1041 15.644,1042 11.511,1043 24.593,1044 11.474,1045 2.454,1046 8.783,1047 21.636,1048 4.681,1049 13.274,1050 17.106,1052 26.999,1053 12.531,1054 2.111,1055 7.345,1056 23.515,1057 3.88,1058 14.446,1059 18.652,1060 13.675,1061 29.45,1062 13.661,1063 2.03,1064 6.046,1065 25.402,1066 3.314,1067 15.59,1068 20.154,1070 31.882,1071 14.755,1072 1.805,1073 5.804,1074 27.296,1075 2.832,1076 16.76,1077 21.692,1078 15.838,1079 34.33,1080 15.879,1081 1.475,1082 5.416,1083 29.196,1084 2.754,1085 17.921,1086 23.213,1088 36.771,1089 16.991,1090 3898,1091 7784,1092 14.74,1093 24.438,1094 35.463,1095 38.8,1096 37.214,1097 35.263,1098 35.085,1099 47.786,1100 5.9,1101 106.098,1102 31.278,1103 5.491,1104 6.614,1105 6.212,1106 5.375,1107 5.275,1108 7.681,1109 5.9,1110 18.645,1111 5.095,1112 12.294,1113 1.542,1114 1.687,1115 1.618,1116 1.533,1117 1.525,1118 2.078,1119 0.257,1120 4.613,1121 1.36,1122 4.109,1123 4.15,1124 4.232,1125 4.017,1126 5.319,1127 4.011,1128 3.872,1129 3.885,1130 4.036,1131 3.83,1132 5.012,1133 3.82,1134 3.47,1135 3.551,1136 3.648,1137 3.26,1138 4.98,1139 3.275,1140 3.107,1141 3.222,1142 3.482,1143 2.979,1144 4.75,1145 2.909,1146 2.968,1147 3.086,1148 3.265,1149 2.803,1150 4.625,1151 2.801,1152 2.92,1153 2.923,1154 2.977,1155 2.77,1156 4.143,1157 2.757,1158 2.875,1159 2.919,1160 2.832,1161 2.674,1162 4.077,1163 2.687,1164 2.472,1165 2.579,1166 2.739,1167 2.333,1168 3.747,1169 2.268,1170 0.205,1171 0.201,1172 0.3,1173 0.183,1174 0.142,1175 4.708,1176 0.204,1177 4.614,1178 0.128,1179 6.911,1180 0.504,1181 4.22,1182 0.135,1183 3.275,1184 4.681,1185 2.95,1186 11.593,1187 3.095,1188 1.879,1189 1.871,1190 1.897,1191 2.003,1192 1.085,1193 1.966,1194 1.792,1195 1.755,1196 1.829,1197 1.904,1198 0.937,1199 1.924,1200 1.583,1201 1.53,1202 1.767,1203 1.762,1204 0.833,1205 1.769,1206 1.038,1207 0.965,1208 1.282,1209 1.383,1210 0.259,1211 1.368,1212 0.914,1213 0.826,1214 1.21,1215 1.283,1216 0.17,1217 1.28,1218 0.873,1219 0.823,1220 1.102,1221 1.037,1222 0.044,1223 1.087,1224 0.855,1225 0.795,1226 1.025,1227 1.013,1229 1.056,1230 0.641,1231 0.546,1232 0.792,1233 0.828,1235 0.865,1236 3.85,1238 5.209,1239 2.398,1240 6.753,1241 4.844,1242 8.389,1243 7.034,1244 10.074,1246 1.934,1247 12.131,1250 11.581,1255 1.483,1262 23.056,1263 60.231,1264 124.126,1265 140.49,1266 151.245,1267 151.245,1268 151.245,1269 29.703,1270 6.853,1271 93.61,1272 118.91,1273 17,1274 12.451,1275 4.087,1276 3.17,1277 32.059,1278 60,1279 64,1280 0.268,1281 154.567,1282 249.13,1283 368.904,1284 7491,1285 6.3,1286 15.146,1287 0.721,1288 0.632,1289 16.499,1290 13.274,1291 9.952,1292 0.433,1293 0.329,1294 6.062,1295 8.661,1296 5.751,1297 4.751,1298 10.938,1299 7.568,1300 9.659,1301 0.284,1302 0.187,1303 11.054,1304 6.342,1305 7.765,1306 0.173,1307 0.109,1308 9.367,1309 4.884,1310 6.901,1311 0.111,1312 0.058,1313 8.527,1314 3.572,1315 5.237,1316 0.069,1317 0.033,1318 6.711,1319 2.536,1320 0.404,1321 71.95,1322 0.26,1323 20.34,1324 0.783,1325 114,1326 341.515,1327 179.154,1328 421.482,1329 561.75,1330 390,1331 136,1332 363.046,1333 193.888,1334 405.287,1335 597.17,1336 381,1337 4.461}
{0 CHEMBL61108,1 1.882,2 8.762,3 3.171,4 10.057,5 84.831,6 10.131,7 0.696,8 3.626,9 3.739,10 3.426,11 3.177,12 4.888,13 3.19,14 4.07,15 4.205,16 3.849,17 3.576,18 5.394,19 3.56,20 4.28,21 4.443,22 3.844,23 3.645,24 5.472,25 3.6,26 4.283,27 4.466,28 3.968,29 3.541,30 5.638,31 3.49,32 4.252,33 4.478,34 3.372,35 3.389,36 5.404,37 3.291,38 4.01,39 4.226,40 3.301,41 3.304,42 5.062,43 3.198,44 3.847,45 4.036,46 3.477,47 3.216,48 5.08,49 3.162,50 3.851,51 4.035,52 3.567,53 3.12,54 5.16,55 3.073,56 0.162,57 0.51,58 3.525,59 2.23,60 15.367,61 2.198,62 0.284,63 0.767,64 6.507,65 3.953,66 21.645,67 4.504,68 0.386,69 0.836,70 15.093,71 5.254,72 32.24,73 5.729,74 0.531,75 0.795,76 16.3,77 5.327,78 44.353,79 6.337,80 0.624,81 0.712,82 19.552,83 5.213,84 63.056,85 5.519,86 0.342,87 0.573,88 16.685,89 4.846,90 33.415,91 5.918,92 0.237,93 0.52,94 8.614,95 3.616,96 18.838,97 4.314,98 0.382,99 0.433,100 13.189,101 3.446,102 34.856,103 3.533,104 17,105 33,106 0.349,107 0.761,108 0.842,109 0.858,110 0.858,111 0.858,112 3.103,113 0.888,114 -4.24,115 -4.18,116 -3.95,119 40.6,125 1,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 1,158 1,159 1,166 1,169 1,170 2,172 2,173 4,175 6,178 7,182 2,187 2,196 2,197 4,198 4,200 2,201 5,204 1,210 2,211 1,212 1,215 2,218 1,226 2,229 3,234 4,238 1,239 2,240 1,241 3,251 3,260 6,265 5,270 2,273 524,274 13.826,275 13.826,276 13.826,277 13.826,278 13.826,279 11.798,280 18.234,281 8.022,282 14.408,283 11.371,284 11.371,285 11.371,286 11.371,287 11.371,288 8.297,289 26.979,290 3.842,291 12.412,292 3.118,293 0.899,294 0.461,295 0.375,296 0.375,297 0.375,298 3.779,299 2,300 1,301 1,302 1,303 393,304 2.449,306 42.952,307 118.71,310 80.686,314 1.32,315 23.86,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 46.167,327 184,328 4.638,329 3.298,330 6.78,331 4.151,332 3.188,333 4.608,334 0.657,335 11.108,336 3.072,337 4.161,338 3.147,339 5.666,340 3.695,341 2.769,342 3.809,344 7.928,345 2.54,346 3.71,347 2.623,348 5.307,349 3.268,350 2.342,351 3.155,353 6.7,354 2.161,355 3.409,356 2.589,357 5.063,358 2.936,359 2.03,360 2.79,362 5.793,363 1.79,364 3.332,365 2.325,366 4.882,367 2.882,368 1.979,369 2.581,371 5.632,372 1.774,373 3.232,374 2.182,375 4.731,376 2.707,377 1.879,378 2.481,380 4.963,381 1.584,382 3.033,383 1.903,384 4.618,385 2.637,386 1.687,387 2.209,389 4.916,390 1.441,391 2.305,392 0.942,393 3.589,394 1.785,395 0.859,396 1.221,398 2.119,399 0.792,400 1.796,401 0.817,402 3.241,403 1.511,404 0.579,405 0.684,407 1.457,408 0.536,409 1.12,410 0.268,411 2.693,412 0.697,413 -0.223,414 -0.282,415 -0.604,416 -0.202,417 1,418 0.173,419 2.561,420 0.488,421 -0.347,422 -0.445,423 -0.891,424 -0.229,425 0.945,426 0.037,427 2.382,428 0.473,429 -0.415,430 -0.536,431 -1.103,432 -0.289,433 0.782,434 -0.196,435 2.236,436 0.349,437 -0.518,438 -0.623,439 -1.247,440 -0.415,441 0.388,442 -0.436,443 2,444 0.045,445 -0.761,446 -0.862,448 -1.935,449 -0.615,450 0.159,451 -0.847,452 1.881,453 -0.277,454 -1.091,455 -1.35,457 -2.788,458 -0.955,459 10.262,460 0.489,461 0.647,462 0.031,463 30,464 1.429,465 15.5,466 0.738,467 14.5,468 0.69,469 14.233,470 0.678,471 22.138,472 0.692,473 19.73,474 0.94,475 5.942,476 0.283,477 4.083,478 0.194,479 0.211,481 0.39,485 1.003,486 1.228,487 0.538,488 0.655,489 1.034,490 0.643,491 0.598,492 0.982,493 0.572,494 0.767,495 0.453,496 0.795,497 1.113,498 1.304,499 1.076,500 1.147,501 0.993,502 1.108,503 0.562,504 1.106,505 0.605,506 1.064,507 0.62,508 1.095,509 1.453,510 0.604,511 1.171,512 0.827,513 1.604,514 1.061,515 0.932,516 0.919,517 1.084,518 1.053,519 0.919,520 1.064,521 0.818,522 1.064,523 0.674,524 0.826,525 0.725,526 0.842,527 1.488,528 0.946,529 1.259,530 0.88,531 1.561,532 0.829,533 5.5,534 0.083,535 2,536 2.16,537 1.303,538 0.372,539 0.376,540 0.2,541 0.317,542 0.098,543 4346,544 17089,545 2.045,546 34.4,548 5,549 1,551 5,555 1.63,556 1.881,557 3.105,558 2.892,560 1,562 1,564 60.231,565 1.882,566 4.101,567 4.539,568 4.625,569 4.625,570 4.625,571 2.529,572 4.011,573 4.368,574 3.263,575 685.214,576 7.47,577 7290.68,578 1,579 1,580 1,581 1,582 160,583 1.51,584 4.305,585 0.239,586 0.017,587 0.061,588 0.07,589 0.047,590 0.021,591 0.021,592 0.01,593 0.018,594 0.008,595 0.509,596 0.17,597 1,598 0.665,599 94.824,600 -0.26,601 -0.037,602 -0.035,603 0.143,604 -0.274,605 0.116,606 0.124,607 0.161,608 0.045,609 0.079,610 0.188,611 0.033,612 -0.247,613 -0.282,614 -0.194,615 -0.221,616 -0.206,617 -0.196,618 0.394,619 -0.119,620 0.225,621 -0.14,622 0.344,623 -0.151,624 -0.34,625 0.324,626 -0.261,627 0.133,628 -0.388,629 -0.067,630 -0.11,631 -0.038,632 -0.097,633 -0.016,634 -0.126,635 0.033,636 -0.003,637 -0.087,638 0.159,639 0.13,640 0.092,641 0.151,642 -0.233,643 -0.034,644 0.009,645 0.149,646 -0.301,647 0.146,648 1.82,649 3.886,650 0.714,651 14.331,652 1.032,653 1.133,654 3.009,655 9.052,656 0.726,657 3.178,658 3.526,659 3.761,660 4.078,661 4.174,662 4.234,663 4.22,664 4.304,665 4.357,666 4.331,667 5.358,668 0.706,669 324.19,670 3.178,671 4.727,672 5.572,673 6.466,674 7.324,675 8.222,676 9.087,677 9.985,678 10.855,679 11.754,680 15.6,684 1,685 1,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 1,712 1,715 1,717 2,718 32,719 16,720 1,721 23,723 34,724 13,725 12,726 3,727 3,729 3,730 4,731 2,741 12,742 1,753 1,754 1,757 11,758 5,759 5,760 8,761 2,764 5,769 0.667,770 1,776 1,777 1,780 1,781 2,784 1,802 2,807 2,810 21,811 1,815 1,816 1,817 1,828 2,829 3.1,831 1,836 11.167,837 5.552,838 4.5,839 1.634,840 3.113,841 1.456,842 1,843 3.904,844 9.932,845 3.466,846 4.155,847 4.763,848 5.41,849 5.849,850 6.127,851 6.357,852 6.719,853 6.843,854 7.051,855 0.833,856 31,857 7.667,859 3.294,860 7.979,861 14.156,863 11.466,865 2.479,866 52.056,870 70.627,871 58.713,872 101.265,873 78.297,874 42.683,877 58.713,878 191.607,879 101.265,881 2.106,882 70.373,883 95.98,884 32.302,885 13.67,886 58.856,887 78.297,888 70.627,889 159.977,890 42.683,891 78.297,893 70.627,894 42.683,897 22.506,898 85.89,899 129.879,901 70.627,902 143.948,903 137.01,906 70.627,907 21.237,908 37.476,909 34.796,910 187.449,911 70.627,912 143.948,913 137.01,915 0.591,916 0.334,917 0.193,918 0.093,919 17,920 8,921 0.088,922 3,923 1,924 1.133,925 3.32,926 160.856,927 0.133,928 15,929 86.239,933 14.407,934 5.69,935 3.058,936 1.019,937 127.162,938 6.91,939 7.772,940 2.946,943 2.532,945 110.377,946 351.585,947 31,956 33.018,957 36.25,958 0.376,959 0.82,960 0.908,961 0.925,962 0.925,963 0.925,964 4.7,965 0.859,966 5.58,967 4.916,968 4.205,969 4.84,970 0.623,971 6.395,972 4.04,973 5.948,974 0.579,975 7.14,976 2.119,977 3.892,978 4.808,980 7.277,981 3.604,982 7.278,983 -0.223,984 8.793,985 1.457,986 5.802,987 7.148,988 0.317,989 10.386,990 5.529,991 8.642,992 -0.347,993 10.501,994 -0.604,995 6.236,996 7.902,998 12.126,999 5.888,1000 10.034,1001 -0.415,1002 12.247,1003 -0.891,1004 7.676,1005 9.758,1006 0.149,1007 14.775,1008 7.325,1009 11.449,1010 -0.518,1011 14.021,1012 -1.103,1013 8.48,1014 10.908,1016 16.912,1017 8.083,1018 12.882,1019 -0.761,1020 15.819,1021 -1.247,1022 9.731,1023 12.562,1024 0.067,1025 19.4,1026 9.319,1027 3.188,1028 -1.091,1029 17.638,1030 -1.935,1031 10.718,1032 13.909,1034 21.703,1035 10.27,1036 2.769,1037 11.108,1038 19.473,1039 -2.788,1040 11.897,1041 15.479,1042 0.03,1043 24.136,1044 11.427,1045 2.342,1046 7.928,1047 21.323,1048 4.608,1049 12.969,1050 16.92,1052 26.503,1053 12.467,1054 2.03,1055 6.7,1056 23.185,1057 3.809,1058 14.123,1059 18.458,1060 0.013,1061 28.918,1062 13.594,1063 1.979,1064 5.793,1065 25.057,1066 3.155,1067 15.235,1068 19.941,1070 31.31,1071 14.675,1072 1.879,1073 5.632,1074 26.937,1075 2.79,1076 16.382,1077 21.468,1078 0.006,1079 33.719,1080 15.793,1081 1.687,1082 4.963,1083 28.824,1084 2.581,1085 17.514,1086 22.973,1088 36.12,1089 16.894,1090 4258,1091 8543,1092 15.027,1093 23.244,1094 34.97,1095 35.092,1096 36.101,1097 34.942,1098 34.627,1099 47.078,1100 1.315,1101 101.232,1102 31.382,1103 5.475,1104 5.298,1105 6.129,1106 5.224,1107 5.188,1108 7.608,1109 1.315,1110 17.998,1111 5.072,1112 11.303,1113 1.52,1114 1.526,1115 1.57,1116 1.519,1117 1.506,1118 2.047,1119 0.057,1120 4.401,1121 1.364,1122 4.107,1123 4.15,1124 4.109,1125 3.969,1126 6.476,1127 3.991,1128 3.9,1129 3.922,1130 4.05,1131 3.843,1132 5.221,1133 3.837,1134 3.449,1135 3.526,1136 3.582,1137 3.214,1138 5.025,1139 3.246,1140 3.208,1141 3.3,1142 3.407,1143 2.948,1144 4.812,1145 2.971,1146 2.998,1147 3.061,1148 3.223,1149 2.849,1150 4.632,1151 2.815,1152 2.901,1153 2.918,1154 2.941,1155 2.692,1156 4.289,1157 2.734,1158 2.757,1159 2.828,1160 2.764,1161 2.583,1162 4.125,1163 2.58,1164 2.479,1165 2.586,1166 2.375,1167 2.178,1168 3.809,1169 2.193,1170 0.202,1171 0.143,1172 0.295,1173 0.18,1174 0.139,1175 4.638,1176 0.2,1177 3.298,1178 0.029,1179 6.78,1180 0.483,1181 4.151,1182 0.134,1183 3.188,1184 4.608,1185 0.657,1186 11.108,1187 3.072,1188 1.888,1189 1.867,1190 1.951,1191 2.008,1192 1.117,1193 1.99,1194 1.8,1195 1.773,1196 1.835,1197 1.955,1198 0.999,1199 1.935,1200 1.548,1201 1.485,1202 1.696,1203 1.748,1204 0.721,1205 1.746,1206 1.113,1207 1.026,1208 1.345,1209 1.445,1210 0.369,1211 1.427,1212 0.967,1213 0.886,1214 1.21,1215 1.289,1216 0.111,1217 1.273,1218 0.849,1219 0.827,1220 1,1221 1.009,1222 0.105,1223 1.004,1224 0.721,1225 0.661,1226 0.999,1227 0.962,1229 0.994,1230 0.497,1231 0.434,1232 0.774,1233 0.833,1235 0.841,1236 3.85,1238 5.187,1239 2.398,1240 6.703,1241 4.727,1242 8.313,1243 6.843,1244 9.972,1247 11.888,1250 5.485,1251 9.886,1252 0.442,1253 3.176,1262 22.584,1263 60.231,1264 131.245,1265 145.245,1266 148,1267 148,1268 148,1269 31.042,1270 6.819,1271 99.85,1272 99.85,1273 17,1274 12.283,1275 4.087,1276 3.17,1277 32.281,1278 68,1279 57,1280 0.238,1281 147.432,1282 239.41,1283 351.495,1284 7672,1285 6.3,1286 14.983,1287 0.713,1288 0.581,1289 15.983,1290 12.203,1291 10.025,1292 0.436,1293 0.296,1294 6.018,1295 9.043,1296 5.856,1297 4.813,1298 10.602,1299 6.807,1300 9.59,1301 0.291,1302 0.161,1303 10.406,1304 5.327,1305 7.355,1306 0.175,1307 0.081,1308 7.827,1309 3.393,1310 6.943,1311 0.12,1312 0.045,1313 7.738,1314 2.612,1315 4.692,1316 0.073,1317 0.022,1318 5.003,1319 1.43,1320 0.369,1321 69.091,1322 0.258,1323 20.739,1324 0.658,1325 112,1326 359.825,1327 154.051,1328 413.796,1329 543.94,1330 382,1331 131,1332 358.897,1333 161.003,1334 383.367,1335 559.83,1336 360,1337 4.201}
{0 CHEMBL61110,1 1.79,2 8.65,3 2.507,4 6.285,5 80.027,6 9.055,7 0.727,8 3.618,9 3.741,10 3.328,11 3.14,12 4.861,13 3.155,14 4.059,15 4.206,16 3.719,17 3.527,18 5.344,19 3.512,20 4.262,21 4.446,22 3.701,23 3.581,24 5.412,25 3.541,26 4.267,27 4.468,28 3.643,29 3.467,30 5.542,31 3.415,32 4.238,33 4.481,34 3.249,35 3.337,36 5.36,37 3.242,38 3.993,39 4.228,40 3.17,41 3.247,42 4.995,43 3.145,44 3.833,45 4.038,46 3.282,47 3.144,48 5.021,49 3.09,50 3.823,51 4.04,52 3.261,53 2.999,54 5.058,55 2.95,56 0.125,57 0.52,58 4.909,59 2.274,60 13.417,61 2.573,62 0.242,63 0.782,64 8.516,65 4.038,66 20.679,67 4.96,68 0.276,69 0.856,70 14.725,71 5.007,72 25.31,73 6.208,74 0.431,75 0.806,76 14.928,77 5.08,78 39.904,79 6.622,80 0.536,81 0.718,82 18.119,83 4.778,84 55.689,85 5.858,86 0.248,87 0.586,88 14.46,89 4.548,90 27.215,91 6.05,92 0.179,93 0.532,94 9.288,95 3.487,96 17.07,97 4.503,98 0.294,99 0.455,100 12.206,101 3.099,102 28.528,103 3.752,104 10,105 31,106 0.332,107 0.744,108 0.858,109 0.904,110 0.904,111 0.904,112 3.058,113 0.863,114 -3.98,115 -3.93,116 -3.73,119 40.6,125 1,139 4,140 2,141 2,144 1,147 1,148 1,155 1,157 1,158 1,159 1,166 3,169 1,170 2,172 2,173 4,175 6,178 5,182 2,187 3,189 2,196 2,197 4,198 3,200 2,201 3,204 1,210 2,211 1,212 1,215 3,218 1,226 2,229 3,234 4,238 1,239 3,240 1,241 2,246 2,251 3,260 4,265 4,270 2,273 472,274 13.378,275 13.378,276 13.378,277 13.378,278 13.378,279 11.375,280 16.632,281 7.846,282 13.824,283 10.871,284 10.871,285 10.871,286 10.871,287 10.871,288 7.881,289 24.431,290 3.745,291 11.658,292 3.21,293 0.988,294 0.375,295 0.125,296 0.125,297 0.125,298 3.736,299 1,300 1,301 1,302 1,303 372,304 2.345,306 40.222,307 111.429,310 75.551,314 1.285,315 20.247,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 43.833,327 173,328 4.638,329 3.297,330 6.78,331 4.151,332 3.188,333 4.608,334 0.657,335 11.107,336 3.072,337 4.042,338 2.988,339 5.512,340 3.599,341 2.655,342 3.648,344 7.46,345 2.495,346 3.707,347 2.591,348 5.297,349 3.26,350 2.334,351 3.154,353 6.677,354 2.157,355 3.408,356 2.357,357 5.063,358 2.894,359 2,360 2.79,362 5.791,363 1.786,364 3.31,365 2.182,366 4.802,367 2.878,368 1.977,369 2.559,371 5.361,372 1.729,373 3.039,374 1.919,375 4.698,376 2.64,377 1.695,378 2.214,380 4.898,381 1.571,382 2.671,383 1.298,384 3.589,385 2.18,386 1.204,387 1.749,389 2.624,390 1.149,391 2.304,392 0.926,393 3.489,394 1.783,395 0.857,396 1.22,398 2.114,399 0.791,400 1.794,401 0.79,402 3.204,403 1.507,404 0.572,405 0.679,407 1.422,408 0.533,409 1.119,410 0.209,411 2.685,412 0.695,413 -0.224,414 -0.283,415 -0.591,416 -0.203,417 0.959,418 0.037,419 2.477,420 0.486,421 -0.393,422 -0.502,423 -0.898,424 -0.257,425 0.854,426 -0.195,427 2.136,428 0.382,429 -0.469,430 -0.582,431 -1.187,432 -0.408,433 0.659,434 -0.431,435 2,436 0.258,437 -0.654,438 -0.791,439 -1.695,440 -0.595,441 0.293,442 -0.828,443 2,444 -0.059,445 -1,446 -1.292,448 -2.58,449 -0.936,450 0.043,451 -1.118,452 1.601,453 -0.374,454 -1.295,455 -1.76,457 -3.378,458 -1.118,459 9.548,460 0.477,461 0.541,462 0.027,463 29.25,464 1.463,465 15.5,466 0.775,467 13.75,468 0.688,469 12.251,470 0.613,471 21.052,472 0.658,473 18.893,474 0.945,475 5.869,476 0.293,477 3.762,478 0.188,479 0.152,481 0.367,485 1.061,486 1.234,487 0.609,488 0.748,489 1.078,490 0.706,491 0.571,492 0.997,493 0.626,494 0.881,495 0.458,496 0.874,497 1.04,498 1.307,499 1.015,500 1.147,501 0.903,502 1.081,503 0.699,504 1.099,505 0.871,506 1.19,507 0.724,508 1.174,509 1.472,510 0.604,511 1.188,512 0.778,513 1.617,514 0.998,515 0.828,516 0.918,517 0.985,518 0.995,519 0.828,520 0.989,521 0.798,522 1.084,523 0.731,524 0.959,525 0.721,526 0.94,527 1.486,528 0.956,529 1.195,530 0.879,531 1.486,532 0.875,533 4.5,534 0.054,535 2,536 1.722,537 1.112,538 0.372,539 0.336,540 0.178,541 0.212,542 0.088,543 3867,544 13304,545 2.077,546 37.5,548 6,549 1,551 5,555 1.615,556 1.935,557 3.097,558 2.917,560 1,562 1,564 57.265,565 1.79,566 4.012,567 4.625,568 4.875,569 4.875,570 4.875,571 2.528,572 3.984,573 4.296,574 3.23,575 613.752,576 7.324,577 6269.77,578 1,579 1,581 1,582 160,583 1.441,584 4.248,585 0.205,586 0.013,587 0.065,588 0.059,589 0.044,590 0.022,591 0.02,592 0.01,593 0.014,594 0.009,595 0.461,596 0.5,597 1,598 0.627,599 88.639,600 -0.256,601 -0.044,602 -0.03,603 0.13,604 -0.272,605 0.109,606 0.177,607 0.146,608 0.045,609 0.027,610 0.188,611 -0.006,612 -0.178,613 -0.283,614 -0.124,615 -0.199,616 -0.128,617 -0.149,618 0.292,619 -0.115,620 -0.013,621 -0.26,622 0.258,623 -0.235,624 -0.29,625 0.315,626 -0.242,627 0.158,628 -0.344,629 -0.033,630 -0.05,631 -0.035,632 -0.001,633 0.041,634 -0.066,635 0.091,636 0.016,637 -0.109,638 0.127,639 0.013,640 0.096,641 0.049,642 -0.236,643 -0.042,644 0.02,645 0.106,646 -0.225,647 0.091,648 1.795,649 3.863,650 0.75,651 13.44,652 1.022,653 1.135,654 2.753,655 7.577,656 0.7,657 3.135,658 3.466,659 3.714,660 4.007,661 4.127,662 4.159,663 4.174,664 4.248,665 4.263,666 4.22,667 5.2,668 0.68,669 289.75,670 3.135,671 4.673,672 5.517,673 6.402,674 7.262,675 8.152,676 9.019,677 9.912,678 10.785,679 11.679,680 15.6,684 1,685 1,688 1,690 2,694 2,695 5,696 2,697 1,700 5,702 16,711 1,712 1,715 1,717 1,718 32,719 16,720 1,721 22,723 34,724 13,725 12,726 2,727 4,729 3,730 4,731 1,741 12,742 1,753 1,754 1,757 12,758 5,759 5,760 7,761 1,764 5,769 0.667,770 1,776 1,777 1,780 1,781 2,784 1,802 2,807 1,810 20,811 1,815 1,816 1,817 1,828 1,829 3.1,831 1,836 10.333,837 5.493,838 4.333,839 1.654,840 3.092,841 1.461,842 1.003,843 3.481,844 9.805,845 3.434,846 4.107,847 4.724,848 5.358,849 5.813,850 6.065,851 6.336,852 6.694,853 6.788,854 6.969,855 0.833,856 29,857 7.308,859 3.122,860 7.914,861 13.595,863 10.989,865 2.414,866 48.278,870 82.398,871 64.688,872 101.265,873 39.149,874 42.683,877 64.688,878 164.23,879 101.265,881 2.106,882 79.85,883 95.98,884 28.801,885 13.67,886 70.627,887 39.149,888 82.398,889 165.953,890 42.683,891 39.149,893 82.398,894 42.683,897 22.506,898 91.865,899 90.73,901 82.398,902 143.948,903 103.837,906 82.398,907 17.736,908 46.952,909 34.796,910 148.3,911 82.398,912 143.948,913 103.837,915 0.585,916 0.335,917 0.189,918 0.094,919 16,920 7,921 0.088,922 3,923 1,924 1.133,925 3.271,926 149.635,927 0.133,928 15,929 86.439,933 13.178,934 5.283,935 2.727,936 1.076,937 127.162,938 9.165,939 7.786,940 2.96,943 2.302,945 110.377,946 330.183,947 30,956 32.694,957 36.306,958 0.358,959 0.802,960 0.925,961 0.975,962 0.975,963 0.975,964 4.654,965 0.857,966 5.509,967 2.624,968 4.143,969 4.792,970 0.623,971 6.315,972 4.011,973 5.889,974 0.572,975 7.062,976 2.114,977 3.761,978 4.691,980 7.2,981 3.537,982 7.21,983 -0.224,984 8.713,985 1.422,986 5.727,987 7.09,988 0.317,989 10.312,990 5.498,991 8.569,992 -0.393,993 10.421,994 -0.591,995 6.133,996 7.818,998 12.079,999 5.845,1000 9.959,1001 -0.469,1002 12.171,1003 -0.898,1004 7.598,1005 9.7,1006 0.149,1007 14.725,1008 7.297,1009 11.372,1010 -0.654,1011 13.951,1012 -1.187,1013 8.392,1014 10.841,1016 16.882,1017 8.051,1018 12.806,1019 -1,1020 15.755,1021 -1.695,1022 9.656,1023 12.509,1024 0.067,1025 19.37,1026 9.294,1027 3.188,1028 -1.295,1029 17.58,1030 -2.58,1031 10.639,1032 13.855,1034 21.684,1035 10.245,1036 2.655,1037 11.107,1038 19.422,1039 -3.378,1040 11.825,1041 15.433,1042 0.03,1043 24.119,1044 11.404,1045 2.334,1046 7.46,1047 21.278,1048 4.608,1049 12.899,1050 16.876,1052 26.492,1053 12.446,1054 2,1055 6.677,1056 23.146,1057 3.648,1058 14.058,1059 18.42,1060 0.013,1061 28.908,1062 13.576,1063 1.977,1064 5.791,1065 25.023,1066 3.154,1067 15.174,1068 19.907,1070 31.303,1071 14.659,1072 1.695,1073 5.361,1074 26.907,1075 2.79,1076 16.326,1077 21.438,1078 0.006,1079 33.714,1080 15.779,1081 1.204,1082 4.898,1083 28.798,1084 2.559,1085 17.461,1086 22.946,1088 36.116,1089 16.881,1090 3769,1091 7086,1092 14.622,1093 22.387,1094 33.281,1095 33.201,1096 34.142,1097 33.173,1098 32.965,1099 45.242,1100 1.315,1101 94.909,1102 30.566,1103 5.472,1104 5.297,1105 6.341,1106 5.224,1107 5.188,1108 7.608,1109 1.315,1110 17.998,1111 5.072,1112 9.445,1113 1.513,1114 1.509,1115 1.552,1116 1.508,1117 1.498,1118 2.056,1119 0.06,1120 4.314,1121 1.389,1122 4.107,1123 4.15,1124 4.085,1125 3.968,1126 6.476,1127 3.99,1128 3.893,1129 3.923,1130 3.983,1131 3.828,1132 5.221,1133 3.823,1134 3.449,1135 3.526,1136 3.425,1137 3.212,1138 4.949,1139 3.244,1140 3.205,1141 3.301,1142 3.308,1143 2.943,1144 4.811,1145 2.966,1146 2.998,1147 3.061,1148 3.024,1149 2.792,1150 4.391,1151 2.767,1152 2.878,1153 2.922,1154 2.893,1155 2.687,1156 4.149,1157 2.729,1158 2.752,1159 2.829,1160 2.602,1161 2.575,1162 3.996,1163 2.572,1164 2.479,1165 2.586,1166 2.305,1167 2.178,1168 3.706,1169 2.193,1170 0.211,1171 0.15,1172 0.308,1173 0.189,1174 0.145,1175 4.638,1176 0.209,1177 3.297,1178 0.03,1179 6.78,1180 0.505,1181 4.151,1182 0.14,1183 3.188,1184 4.608,1185 0.657,1186 11.107,1187 3.072,1188 1.893,1189 1.866,1190 1.986,1191 2.012,1192 1.117,1193 2.001,1194 1.801,1195 1.773,1196 1.844,1197 1.966,1198 1.001,1199 1.94,1200 1.549,1201 1.485,1202 1.701,1203 1.753,1204 0.721,1205 1.75,1206 1.115,1207 1.026,1208 1.353,1209 1.448,1210 0.373,1211 1.43,1212 0.969,1213 0.886,1214 1.219,1215 1.293,1216 0.176,1217 1.277,1218 0.867,1219 0.824,1220 1.096,1221 1.031,1222 0.109,1223 1.06,1224 0.723,1225 0.66,1226 0.999,1227 0.996,1229 0.995,1230 0.498,1231 0.434,1232 0.774,1233 0.836,1235 0.843,1236 3.807,1238 5.13,1239 2.398,1240 6.64,1241 4.727,1242 8.243,1243 6.843,1244 9.896,1247 5.923,1250 5.483,1251 9.863,1252 0.501,1253 3.219,1262 21.757,1263 57.265,1264 128.39,1265 148,1266 156,1267 156,1268 156,1269 26.635,1270 6.713,1271 99.85,1272 99.85,1273 17,1274 12.209,1275 4.087,1276 3.17,1277 30.066,1278 62,1279 54,1280 0.241,1281 139.1,1282 224.2,1283 331.163,1284 6727,1285 3.1,1286 14.113,1287 0.706,1288 0.557,1289 14.613,1290 11.147,1291 9.631,1292 0.438,1293 0.288,1294 5.888,1295 8.958,1296 5.763,1297 4.762,1298 9.92,1299 6.329,1300 8.944,1301 0.289,1302 0.153,1303 9.352,1304 4.743,1305 7.124,1306 0.178,1307 0.079,1308 7.386,1309 3.154,1310 6.416,1311 0.119,1312 0.041,1313 6.684,1314 2.219,1315 4.582,1316 0.075,1317 0.022,1318 4.758,1319 1.329,1320 0.374,1321 63.552,1322 0.262,1323 19.899,1324 0.669,1325 106,1326 325.621,1327 132.532,1328 351.574,1329 472.55,1330 326,1331 124,1332 332.034,1333 144.245,1334 346.581,1335 505.94,1336 326,1337 4.585}
{0 CHEMBL611984,1 1.614,2 8.087,3 4.391,4 19.278,5 97.387,6 7.639,7 0.64,8 3.855,9 3.981,10 3.489,11 3.434,12 4.977,13 3.38,14 4.353,15 4.533,16 3.93,17 3.826,18 5.429,19 3.75,20 4.511,21 4.679,22 4.067,23 4.005,24 5.539,25 3.891,26 4.675,27 4.858,28 4.024,29 4.051,30 5.736,31 3.893,32 4.668,33 4.873,34 3.797,35 3.958,36 5.638,37 3.807,38 4.637,39 4.87,40 3.614,41 3.864,42 5.511,43 3.721,44 4.609,45 4.862,46 3.455,47 3.782,48 5.48,49 3.633,50 4.505,51 4.786,52 3.313,53 3.611,54 5.408,55 3.459,56 0.044,57 0.656,58 9.518,59 4.008,60 10.892,61 5.124,62 0.237,63 1.017,64 18.551,65 7.377,66 24.168,67 9.333,68 0.094,69 1.223,70 21.936,71 8.744,72 15.05,73 10.689,74 0.377,75 1.371,76 33.921,77 11.608,78 38.38,79 13.388,80 0.307,81 1.312,82 31.677,83 9.874,84 36.179,85 12.069,86 0.214,87 1.154,88 25.987,89 9.646,90 26.157,91 12.786,92 0.248,93 1.126,94 25.086,95 8.864,96 30.266,97 12.033,98 0.14,99 1.05,100 20.942,101 7.208,102 26.16,103 10.79,104 38,105 37,106 0.282,107 0.629,108 0.745,109 0.789,110 0.821,111 0.821,112 3.189,113 0.995,114 -5.5,115 -5.38,116 -5.02,119 39.5,120 4,122 1,139 3,140 4,141 1,144 1,147 1,150 1,155 1,157 2,158 2,159 2,166 10,169 2,170 5,172 3,173 3,175 1,178 13,180 1,182 3,187 1,189 14,191 1,192 1,193 5,195 3,196 3,197 1,198 2,200 2,201 12,204 2,205 1,207 5,212 2,215 12,218 2,221 5,226 2,229 11,231 2,234 6,239 2,241 6,243 2,246 7,251 6,256 6,260 3,265 7,270 7,273 651,274 14.93,275 14.93,276 14.93,277 14.93,278 14.93,279 12.871,280 15.709,281 8.463,282 15.262,283 12.291,284 12.291,285 12.291,286 12.291,287 12.291,288 9.184,289 14.973,290 3.969,291 12.883,292 3.812,293 1.823,294 1.158,295 0.907,296 0.721,297 0.721,298 3.86,301 1,302 1,303 391,304 2.915,306 43.727,307 130.668,310 86.15,314 1.221,315 18.086,317 1,318 0.75,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.86,326 49,327 186,328 4.703,329 4.613,330 6.88,331 4.236,332 3.27,333 4.677,334 2.95,335 11.426,336 3.162,337 4.395,338 3.486,339 6.609,340 4.025,341 3.056,342 4.04,344 10.442,345 2.961,346 3.832,347 3.043,348 5.723,349 3.391,350 2.47,351 3.314,353 7.583,354 2.27,355 3.48,356 2.65,357 5.426,358 3.233,359 2.246,360 2.817,362 6.503,363 2.211,364 3.437,365 2.343,366 5.141,367 2.976,368 2.043,369 2.706,371 6.044,372 1.902,373 3.238,374 2.14,375 4.961,376 2.769,377 1.836,378 2.514,380 5.538,381 1.702,382 2.881,383 1.977,384 4.327,385 2.42,386 1.464,387 2.043,389 3.777,390 1.39,391 2.562,392 1.703,393 4.093,394 2.284,395 1.298,396 1.577,398 3.116,399 1.271,400 2.443,401 1.381,402 3.756,403 2.105,404 1.144,405 1.432,407 2.966,408 1.089,409 1.511,410 0.791,411 3.097,412 1.18,413 0.274,414 0.326,415 0.712,416 0.242,417 1.145,418 0.454,419 2.725,420 0.773,421 -0.17,422 -0.206,423 -0.431,424 -0.159,425 1.02,426 0.019,427 2.545,428 0.629,429 -0.305,430 -0.393,431 -0.806,432 -0.28,433 0.846,434 -0.235,435 2.356,436 0.466,437 -0.502,438 -0.627,439 -1.206,440 -0.478,441 0.639,442 -0.307,443 2.328,444 0.303,445 -0.621,446 -0.743,448 -1.509,449 -0.577,450 0.263,451 -0.603,452 2.075,454 -1,455 -1,457 -2,458 -0.928,459 11.267,460 0.49,461 0.792,462 0.034,463 30,464 1.304,465 15.5,466 0.674,467 14.5,468 0.63,469 21.139,470 0.919,471 24.733,472 0.575,473 19.884,474 0.865,475 5.518,476 0.24,477 5.362,478 0.233,479 0.249,481 0.444,485 1.03,486 1.102,487 0.797,488 0.891,489 1.311,490 0.886,491 0.473,492 0.753,493 0.617,494 0.812,495 0.36,496 0.729,497 0.945,498 1.118,499 0.962,500 1.026,501 0.833,502 0.969,503 0.875,504 1.203,505 1.63,506 1.554,507 0.591,508 1.203,509 1.494,510 1.106,511 1.593,512 1.392,513 1.329,514 1.217,515 1.1,516 1.022,517 0.918,518 1.048,519 0.722,520 1.07,521 1.168,522 1.006,523 0.921,524 0.937,525 0.949,526 1.026,527 0.614,528 1.2,529 0.69,530 0.921,531 0.756,532 1.058,533 5.5,534 0.012,535 3.111,536 2.854,537 1.703,538 0.903,539 0.569,540 0.407,541 0.279,542 0.135,543 4892,544 12357,545 1.991,546 46.5,547 13,548 3,551 4,555 1.662,556 1.792,557 3.014,558 1.822,560 1,564 69.404,565 1.614,566 3.604,567 4.269,568 4.519,569 4.705,570 4.705,571 2.419,572 4.263,573 4.5,574 3.162,575 800.002,576 7.771,577 8874.63,579 1,581 1,582 233.329,583 1.55,584 4.413,585 0.22,586 0.004,587 0.084,588 0.073,589 0.047,590 0.031,591 0.021,592 0.017,593 0.014,594 0.01,595 0.522,596 0.17,597 0.88,598 0.899,599 105.376,600 -0.113,601 0.062,602 0.051,603 0.094,604 -0.293,605 0.073,606 0.458,607 0.306,608 0.342,609 0.22,610 0.418,611 0.267,612 -0.043,613 -0.013,614 0.136,615 0.098,616 -0.052,617 0.033,618 0.253,619 -0.125,620 -0.171,621 -0.22,622 0.309,623 -0.163,624 -0.268,625 -0.049,626 -0.339,627 -0.232,628 -0.287,629 -0.231,630 -0.054,631 -0.144,632 -0.047,633 -0.094,634 0.007,635 -0.067,636 -0.139,637 -0.119,638 -0.091,639 -0.043,640 -0.085,641 -0.048,642 0.031,643 -0.293,644 0.018,645 -0.133,646 0.079,647 -0.1,648 1.543,649 2.406,650 0.652,651 15.248,652 0.997,653 1.127,654 4.273,655 18.261,656 0.679,657 3.258,658 3.638,659 3.932,660 4.234,661 4.407,662 4.489,663 4.564,664 4.663,665 4.691,666 4.615,667 5.11,668 0.633,669 328.48,670 3.258,671 4.828,672 5.7,673 6.611,674 7.502,675 8.415,676 9.313,677 10.228,678 11.13,679 12.045,680 9.3,684 2,690 2,694 2,695 3,696 2,698 1,700 7,702 16,711 2,718 43,719 16,720 1,721 25,723 45,724 17,725 12,726 3,727 3,729 3,730 4,734 4,741 12,742 5,743 1,754 1,756 1,757 20,758 5,759 4,760 6,761 1,764 4,769 0.667,770 1,776 1,780 1,781 2,784 1,802 2,803 1,804 1,806 4,810 23,811 2,819 1,820 1,829 2.3,834 1,836 12.833,837 8.983,838 4.944,839 2.547,840 3.25,841 1.462,842 0.99,843 4.256,844 10.29,845 3.526,846 4.23,847 4.876,848 5.521,849 6.029,850 6.356,851 6.724,852 7.137,853 7.351,854 7.576,855 1,856 39,857 8.453,859 3.541,860 7.659,861 16.215,863 13.222,865 2.159,866 49.667,869 1,870 188.338,871 122.078,872 99.365,874 9.507,876 32.22,877 89.858,878 197.845,879 99.365,880 35.301,882 94.223,883 37.978,884 27.002,885 4.227,886 220.557,888 188.338,889 189.224,890 9.507,891 32.22,893 188.338,894 9.507,897 45.421,898 110.231,899 33.571,900 32.22,901 188.338,902 108.873,903 122.078,906 188.338,907 58.348,908 63.73,910 108.873,911 188.338,912 108.873,913 122.078,915 0.6,916 0.358,917 0.199,918 0.104,919 19,920 10,921 0.067,922 3,923 1,924 1.133,925 3.322,926 190.525,927 0.133,928 15,929 100.042,930 1,933 16.154,934 6.06,935 2.909,936 1.177,937 108.873,938 6.354,939 8.168,941 5.906,943 5.939,945 65.794,946 419.288,947 33,956 42.88,957 48.444,958 0.297,959 0.664,960 0.787,961 0.833,962 0.867,963 0.867,964 4.787,965 1.298,966 5.733,967 3.777,968 4.317,969 4.916,970 2.913,971 6.611,972 4.227,973 6.05,974 1.144,975 7.343,976 3.116,977 4.111,978 4.956,980 7.639,981 3.99,982 7.398,983 0.274,984 9.05,985 2.966,986 5.979,987 7.249,988 5.027,989 10.771,990 5.812,991 8.783,992 -0.17,993 10.813,994 0.712,995 6.538,996 8.08,998 12.611,999 6.348,1000 10.198,1001 -0.305,1002 12.61,1003 -0.431,1004 7.95,1005 9.904,1006 7.185,1007 15.281,1008 7.721,1009 11.637,1010 -0.502,1011 14.432,1012 -0.806,1013 8.852,1014 11.109,1016 17.461,1017 8.599,1018 13.094,1019 -0.621,1020 16.273,1021 -1.206,1022 10.099,1023 12.749,1024 9.348,1025 19.967,1026 9.812,1027 3.27,1028 -1,1029 18.128,1030 -1.509,1031 11.151,1032 14.129,1034 22.286,1035 10.837,1036 3.056,1037 11.426,1038 19.995,1039 -2,1040 12.339,1041 15.697,1042 11.511,1043 24.733,1044 11.994,1045 2.47,1046 10.442,1047 21.871,1048 4.677,1049 13.456,1050 17.157,1052 27.11,1053 13.081,1054 2.246,1055 7.583,1056 23.754,1057 4.04,1058 14.626,1059 18.699,1060 13.675,1061 29.536,1062 14.219,1063 2.043,1064 6.503,1065 25.644,1066 3.314,1067 15.771,1068 20.197,1070 31.937,1071 15.333,1072 1.836,1073 6.044,1074 27.538,1075 2.817,1076 16.937,1077 21.73,1078 15.838,1079 34.357,1080 16.466,1081 1.464,1082 5.538,1083 29.437,1084 2.706,1085 18.094,1086 23.247,1088 36.769,1089 17.592,1090 4889,1091 7959,1092 15.838,1093 29.216,1094 38.565,1095 41.469,1096 40.827,1097 38.199,1098 38.202,1099 50.892,1100 5.9,1101 116.212,1102 36.399,1103 5.502,1104 6.613,1105 6.409,1106 5.383,1107 5.27,1108 7.677,1109 5.9,1110 18.602,1111 5.162,1112 14.289,1113 1.543,1114 1.659,1115 1.633,1116 1.528,1117 1.528,1118 2.036,1119 0.236,1120 4.648,1121 1.456,1122 4.093,1123 4.108,1124 4.183,1125 4,1126 5.355,1127 3.995,1128 3.936,1129 3.964,1130 3.924,1131 3.865,1132 4.983,1133 3.87,1134 3.522,1135 3.593,1136 3.516,1137 3.399,1138 4.924,1139 3.376,1140 3.428,1141 3.495,1142 3.34,1143 3.238,1144 4.706,1145 3.242,1146 3.136,1147 3.223,1148 3.121,1149 2.996,1150 4.15,1151 2.966,1152 3.092,1153 3.196,1154 2.952,1155 2.865,1156 4.133,1157 2.824,1158 2.998,1159 3.097,1160 2.887,1161 2.703,1162 3.93,1163 2.711,1164 2.874,1165 3.009,1166 2.759,1167 2.65,1168 3.857,1169 2.649,1170 0.188,1171 0.185,1172 0.275,1173 0.169,1174 0.131,1175 4.703,1176 0.187,1177 4.613,1178 0.118,1179 6.88,1180 0.457,1181 4.236,1182 0.126,1183 3.27,1184 4.677,1185 2.95,1186 11.426,1187 3.162,1188 1.953,1189 1.933,1190 2.063,1191 2.015,1192 1.285,1193 2.04,1194 1.819,1195 1.786,1196 1.882,1197 1.996,1198 1.03,1199 1.958,1200 1.553,1201 1.489,1202 1.827,1203 1.723,1204 0.967,1205 1.764,1206 1.458,1207 1.433,1208 1.625,1209 1.66,1210 0.596,1211 1.664,1212 1.173,1213 1.092,1214 1.52,1215 1.385,1216 0.575,1217 1.437,1218 0.977,1219 0.934,1220 1.417,1221 1.352,1222 0.469,1223 1.342,1224 0.945,1225 0.825,1226 1.266,1227 1.319,1228 0.248,1229 1.308,1230 0.934,1231 0.804,1232 1.102,1233 1.239,1234 0.073,1235 1.273,1236 3.932,1238 5.293,1239 2.398,1240 6.845,1241 4.844,1242 8.489,1243 7.034,1244 10.183,1246 8.457,1250 11.628,1255 1.605,1256 0.433,1262 27.202,1263 69.404,1264 154.959,1265 183.555,1266 194.31,1267 202.31,1268 202.31,1269 33.802,1270 7.041,1271 90.96,1272 116.26,1273 17,1274 12.559,1275 4.087,1276 3.17,1277 36.644,1278 71,1279 63,1280 0.263,1281 173.473,1282 285.7,1283 415.033,1284 9558,1286 16.723,1287 0.727,1288 0.63,1289 17.077,1290 14.492,1291 10.88,1292 0.435,1293 0.332,1294 7.47,1295 10.151,1296 7.03,1297 5.949,1298 11.288,1299 8.292,1300 10.462,1301 0.283,1302 0.186,1303 11.078,1304 6.895,1305 8.546,1306 0.171,1307 0.104,1308 9.455,1309 5.187,1310 7.566,1311 0.111,1312 0.056,1313 8.54,1314 3.838,1315 5.59,1316 0.069,1317 0.032,1318 6.58,1319 2.573,1320 0.397,1321 71.572,1322 0.251,1323 21.972,1324 0.766,1325 124,1326 328.511,1327 161.434,1328 346.647,1329 488.47,1330 324,1331 149,1332 365.34,1333 184.367,1334 388.323,1335 574.84,1336 364,1337 4.614}
{0 CHEMBL61356,1 1.469,2 8.727,3 3.427,4 11.746,5 90.554,6 6.782,7 0.5,8 3.87,9 4.01,10 3.352,11 3.383,12 4.928,13 3.351,14 4.41,15 4.603,16 3.722,17 3.783,18 5.415,19 3.722,20 4.635,21 4.85,22 3.722,23 3.909,24 5.567,25 3.817,26 4.697,27 4.945,28 3.644,29 3.914,30 5.601,31 3.792,32 4.618,33 4.839,34 3.568,35 3.891,36 5.505,37 3.757,38 4.729,39 5.004,40 3.466,41 3.85,42 5.517,43 3.691,44 4.605,45 4.884,46 3.399,47 3.721,48 5.393,49 3.558,50 4.573,51 4.884,52 3.267,53 3.518,54 5.476,55 3.365,56 0.053,57 0.659,58 10.194,59 3.911,60 10.785,61 5.613,62 0.195,63 1.023,64 18.262,65 7.187,66 23.609,67 10.004,68 0.21,69 1.197,70 23.379,71 8.274,72 26.412,73 12.027,74 0.288,75 1.229,76 25.205,77 8.913,78 36.784,79 13.059,80 0.148,81 1.181,82 22.641,83 8.605,84 25.369,85 12.565,86 0.263,87 1.19,88 26.351,89 8.984,90 30.862,91 13.52,92 0.117,93 1.069,94 22.876,95 8.183,96 20.506,97 12.502,98 0.414,99 0.967,100 23.356,101 6.238,102 43.281,103 10.391,104 19,105 34,106 0.258,107 0.601,108 0.792,109 0.856,110 0.864,111 0.872,112 3.147,113 0.968,114 -4.5,115 -4.43,116 -4.17,119 38.6,120 2,121 4,127 1,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 6,172 3,173 3,175 1,178 12,180 1,182 5,187 1,189 13,191 1,193 4,195 1,196 1,197 1,198 2,200 2,201 12,204 2,205 1,207 6,212 3,215 10,218 3,221 5,226 3,229 6,231 3,234 4,239 4,241 3,243 4,245 2,246 2,248 1,249 1,251 3,256 3,260 4,265 4,270 4,273 618,274 14.696,275 14.696,276 14.696,277 14.696,278 14.696,279 13.143,280 21.06,281 8.671,282 15.001,283 11.841,284 11.841,285 11.841,286 11.841,287 11.841,288 9.452,289 27.554,290 4.089,291 12.351,292 3.991,293 2.031,294 0.943,295 0.58,296 0.534,297 0.489,298 3.825,300 1,301 1,302 1,303 408,304 2.646,306 48.22,307 122.21,310 85.72,314 1.231,315 17.548,316 1,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 47,327 192,328 4.465,329 3.442,330 6.576,331 4.11,332 3.139,333 4.132,334 0.86,335 10.513,336 3.051,337 4.233,338 3.091,339 6.089,340 3.824,341 2.866,342 3.877,343 0.68,344 8.851,345 2.751,346 3.64,347 2.651,348 5.35,349 3.338,350 2.377,351 2.959,353 6.916,354 2.282,355 3.453,356 2.471,357 5.267,358 3.178,359 2.205,360 2.699,362 6.56,363 2.148,364 3.36,365 2.201,366 4.926,367 2.953,368 2.009,369 2.639,371 5.679,372 1.883,373 2.931,374 2.018,375 4.73,376 2.707,377 1.742,378 1.992,380 4.995,381 1.671,382 2.816,383 1.582,384 4.149,385 2.347,386 1.412,387 1.93,389 3.669,390 1.316,391 2.26,392 1.495,393 3.893,394 2.174,395 1.196,396 1.25,398 2.791,399 1.165,400 1.838,401 0.919,402 3.129,403 1.639,404 0.697,405 0.765,407 1.486,408 0.651,409 1.539,410 0.597,411 3.02,412 1.261,413 0.319,414 0.375,415 0.769,416 0.299,417 1.046,418 -0.01,419 2.592,420 0.78,421 -0.215,422 -0.255,423 -0.462,424 -0.214,425 0.817,426 -0.163,427 2.38,428 0.546,429 -0.428,430 -0.5,431 -1.036,432 -0.416,433 0.772,434 -0.314,435 2.358,436 0.392,437 -0.515,438 -0.621,439 -1.243,440 -0.467,441 0.393,442 -0.469,443 2,444 0.261,445 -0.698,446 -0.752,448 -1.655,449 -0.667,450 0.301,451 -0.761,452 2,454 -1,455 -1.175,457 -2.398,458 -0.948,459 10.433,460 0.474,461 0.609,462 0.028,463 27.5,464 1.25,465 13.5,466 0.614,467 14,468 0.636,469 18.908,470 0.859,471 24.367,472 0.554,473 17.599,474 0.8,475 4.954,476 0.225,477 5.609,478 0.255,479 0.173,481 0.383,485 1.027,486 1.237,487 0.912,488 1.079,489 1.239,490 0.988,491 0.766,492 0.934,493 0.794,494 1.024,495 0.485,496 0.94,497 1.291,498 1.112,499 1.049,500 1.079,501 0.939,502 1.052,503 1.032,504 0.882,505 1.021,506 0.978,507 0.899,508 1.002,509 0.872,510 1.251,511 1.173,512 1.328,513 0.853,514 1.3,515 1.041,516 0.961,517 1.029,518 0.997,519 0.911,520 1.017,521 0.493,522 1.253,523 0.857,524 1.197,525 0.548,526 1.095,527 0.948,528 0.875,529 0.931,530 0.809,531 1.169,532 0.848,533 5.5,534 0.078,535 2.222,536 1.882,537 1.378,538 0.677,539 0.602,540 0.305,541 0.258,542 0.118,543 4655,544 10843,545 2.043,546 50,547 9,548 3,550 1,551 4,553 5,555 1.648,556 1.886,557 3.122,558 1.825,560 1,562 1,564 64.621,565 1.469,566 3.429,567 4.516,568 4.88,569 4.925,570 4.971,571 2.504,572 4.096,573 4.431,574 3.242,575 748.853,576 7.627,577 8145.33,579 1,581 1,582 240.215,583 1.495,584 4.376,585 0.229,586 0.016,587 0.065,588 0.057,589 0.046,590 0.025,591 0.025,592 0.014,593 0.014,594 0.01,595 0.501,596 0.17,597 1,598 1.055,599 100.235,600 -0.095,601 0.026,602 0.032,603 0.048,604 -0.196,605 0.061,606 0.231,607 0.174,608 0.165,609 0.062,610 0.304,611 0.094,612 -0.144,613 -0.069,614 -0.074,615 -0.036,616 -0.079,617 -0.047,618 -0.049,619 0.12,620 -0.053,621 0.037,622 0.016,623 -0.004,624 -0.097,625 -0.205,626 -0.239,627 -0.262,628 -0.072,629 -0.269,630 -0.106,631 -0.033,632 -0.06,633 -0.006,634 -0.077,635 -0.027,636 0.123,637 -0.335,638 0.081,639 -0.185,640 0.133,641 -0.079,642 0.191,643 0.037,644 0.086,645 0.062,646 0.019,647 0.064,648 1.455,649 2.469,650 0.682,651 16.372,652 0.993,653 1.135,654 3.273,655 10.713,656 0.644,657 3.219,658 3.555,659 3.807,660 4.111,661 4.317,662 4.369,663 4.466,664 4.585,665 4.575,666 4.564,667 5.272,668 0.603,669 298.43,670 3.219,671 4.762,672 5.609,673 6.5,674 7.37,675 8.264,676 9.143,677 10.038,678 10.922,679 11.817,680 9.1,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,718 44,719 12,720 1,721 24,723 46,724 17,725 10,726 4,727 2,729 3,730 4,734 2,736 2,739 5,741 10,742 7,753 1,754 1,757 22,758 5,759 4,760 5,764 4,769 0.667,770 1,776 1,780 1,781 2,784 1,802 2,806 2,810 22,811 2,816 4,818 1,820 1,829 2.3,834 1,836 11.667,837 8.317,838 4.833,839 2.835,840 2.276,841 1.33,842 0.987,843 4.209,844 9.18,845 3.434,846 4.043,847 4.58,848 5.153,849 5.669,850 5.847,851 6.108,852 6.495,853 6.744,854 7.015,855 0.833,856 33,857 8.113,859 3.394,860 7.614,861 15.779,863 13.033,865 2.114,866 46.5,867 0.001,869 1,870 211.88,871 78.001,872 99.365,874 11,877 78.001,878 222.88,879 99.365,880 17.65,881 10.138,882 84.747,883 45.342,884 38.033,885 4.227,886 200.109,888 211.88,889 177.367,890 11,893 153.024,894 69.855,897 38.735,898 105.061,899 33.571,901 211.88,902 110.365,903 78.001,906 211.88,907 32.351,908 45.65,910 110.365,911 211.88,912 110.365,913 78.001,915 0.581,916 0.334,917 0.191,918 0.109,919 17,920 8,921 0.087,922 4,923 1,924 1.133,925 3.373,926 173.332,927 0.133,928 15,929 98.107,933 15.104,934 6.131,935 3.197,937 110.365,938 6.146,939 8.074,943 6.458,945 65.794,946 400.246,947 30,956 43.687,957 49.939,958 0.269,959 0.628,960 0.827,961 0.894,962 0.902,963 0.91,964 4.682,965 1.196,966 5.609,967 3.669,968 4.234,969 4.727,970 1.225,971 6.425,972 4.156,973 5.893,974 0.697,975 7.169,976 2.791,977 3.892,978 4.62,980 7.286,981 3.78,982 7.206,983 0.319,984 8.823,985 1.486,986 5.832,987 6.912,988 0.925,989 10.388,990 5.688,991 8.552,992 -0.215,993 10.53,994 0.769,995 6.256,996 7.558,998 12.057,999 6.077,1000 9.926,1001 -0.428,1002 12.27,1003 -0.462,1004 7.704,1005 9.38,1006 0.697,1007 14.678,1008 7.5,1009 11.321,1010 -0.515,1011 14.035,1012 -1.036,1013 8.494,1014 10.386,1016 16.715,1017 8.256,1018 12.732,1019 -0.698,1020 15.818,1021 -1.243,1022 9.743,1023 12.002,1024 0.525,1025 19.157,1026 9.48,1027 3.139,1028 -1,1029 17.617,1030 -1.655,1031 10.711,1032 13.192,1034 21.362,1035 10.415,1036 2.866,1037 10.513,1038 19.427,1039 -2.398,1040 11.879,1041 14.707,1042 0.395,1043 23.738,1044 11.558,1045 2.377,1046 8.851,1047 21.247,1048 4.132,1049 12.93,1050 15.995,1052 26.018,1053 12.579,1054 2.205,1055 6.916,1056 23.076,1057 3.877,1058 14.068,1059 17.457,1060 0.298,1061 28.371,1062 13.691,1063 2.009,1064 6.56,1065 24.912,1066 2.959,1067 15.16,1068 18.797,1070 30.685,1071 14.753,1072 1.742,1073 5.679,1074 26.754,1075 2.699,1076 16.288,1077 20.232,1078 0.224,1079 33.031,1080 15.855,1081 1.412,1082 4.995,1083 28.601,1084 2.639,1085 17.399,1086 21.601,1088 35.362,1089 16.937,1090 4606,1091 7146,1092 15.72,1093 28.33,1094 36.068,1095 36.568,1096 37.591,1097 35.896,1098 35.924,1099 45.235,1100 3.08,1101 104.457,1102 34.433,1103 5.315,1104 5.442,1105 6.339,1106 5.179,1107 5.139,1108 7.132,1109 1.72,1110 17.489,1111 5.051,1112 11.757,1113 1.503,1114 1.524,1115 1.566,1116 1.496,1117 1.497,1118 1.885,1119 0.128,1120 4.352,1121 1.435,1122 4.048,1123 4.072,1124 3.996,1125 3.975,1126 5.291,1127 3.976,1128 3.847,1129 3.899,1130 3.808,1131 3.687,1132 4.979,1133 3.71,1134 3.594,1135 3.661,1136 3.433,1137 3.458,1138 4.851,1139 3.441,1140 3.472,1141 3.536,1142 3.322,1143 3.325,1144 4.459,1145 3.317,1146 3.166,1147 3.261,1148 3.022,1149 2.963,1150 4.297,1151 2.966,1152 3.006,1153 3.123,1154 2.839,1155 2.835,1156 4.087,1157 2.812,1158 2.987,1159 3.08,1160 2.779,1161 2.7,1162 3.754,1163 2.718,1164 2.846,1165 2.952,1166 2.671,1167 2.574,1168 3.731,1169 2.594,1170 0.186,1171 0.143,1172 0.274,1173 0.171,1174 0.131,1175 4.465,1176 0.172,1177 3.442,1178 0.036,1179 6.576,1180 0.438,1181 4.11,1182 0.127,1183 3.139,1184 4.132,1185 0.86,1186 10.513,1187 3.051,1188 1.964,1189 1.941,1190 2.071,1191 2.053,1192 1.331,1193 2.056,1194 1.755,1195 1.71,1196 1.902,1197 1.933,1198 1.149,1199 1.92,1200 1.606,1201 1.546,1202 1.849,1203 1.786,1204 1.075,1205 1.815,1206 1.504,1207 1.439,1208 1.747,1209 1.708,1210 0.845,1211 1.733,1212 1.165,1213 1.099,1214 1.41,1215 1.426,1216 0.549,1217 1.425,1218 1.029,1219 0.945,1220 1.392,1221 1.302,1222 0.477,1223 1.304,1224 0.921,1225 0.812,1226 1.251,1227 1.25,1228 0.268,1229 1.302,1230 0.798,1231 0.688,1232 1.172,1233 1.114,1234 0.026,1235 1.143,1236 3.892,1238 5.22,1239 2.398,1240 6.735,1241 4.727,1242 8.343,1243 6.823,1244 10.003,1246 4.296,1250 11.5,1252 3.801,1254 5.969,1256 0.255,1262 26.542,1263 64.621,1264 150.857,1265 198.705,1266 214.705,1267 216.705,1268 218.705,1269 31.303,1270 6.904,1271 87.05,1272 87.05,1273 17,1274 12.344,1275 3.7,1276 2.807,1277 34.373,1278 69,1279 70,1280 0.248,1281 165.269,1282 280.73,1283 395.017,1284 8051,1286 15.69,1287 0.713,1288 0.595,1289 15.69,1290 13.095,1291 10.563,1292 0.44,1293 0.323,1294 7.666,1295 10.23,1296 7.412,1297 6.2,1298 10.563,1299 7.746,1300 9.778,1301 0.288,1302 0.175,1303 9.778,1304 5.941,1305 7.768,1306 0.177,1307 0.09,1308 7.768,1309 3.96,1310 6.822,1311 0.114,1312 0.05,1313 6.822,1314 3.03,1315 5.425,1316 0.073,1317 0.028,1318 5.425,1319 2.075,1320 0.38,1321 65.634,1322 0.252,1323 21.427,1324 0.708,1325 116,1326 291.65,1327 126.258,1328 287.983,1329 403.11,1330 270,1331 136,1332 309.335,1333 145.648,1334 314.587,1335 460.05,1336 296,1337 5.204}
{0 CHEMBL61357,1 1.489,2 9.864,3 3.201,4 10.247,5 92.033,6 7.057,7 0.522,8 3.808,9 3.946,10 3.311,11 3.322,12 4.991,13 3.295,14 4.262,15 4.441,16 3.604,17 3.649,18 5.383,19 3.595,20 4.462,21 4.659,22 3.659,23 3.775,24 5.509,25 3.704,26 4.587,27 4.822,28 3.579,29 3.805,30 5.597,31 3.7,32 4.545,33 4.779,34 3.539,35 3.814,36 5.526,37 3.691,38 4.587,39 4.849,40 3.44,41 3.755,42 5.534,43 3.619,44 4.457,45 4.722,46 3.298,47 3.616,48 5.395,49 3.464,50 4.379,51 4.673,52 3.172,53 3.409,54 5.389,55 3.265,56 0.047,57 0.614,58 9.085,59 3.525,60 13.639,61 4.927,62 0.188,63 0.895,64 15.216,65 6.005,66 23.778,67 8.175,68 0.137,69 1.048,70 18.901,71 6.852,72 25.64,73 9.745,74 0.305,75 1.114,76 22.506,77 7.754,78 39.501,79 11.035,80 0.137,81 1.1,82 20.87,83 7.926,84 29.973,85 11.504,86 0.227,87 1.083,88 22.713,89 7.844,90 36.417,91 11.58,92 0.11,93 0.955,94 19.605,95 7.177,96 29.056,97 10.706,98 0.34,99 0.827,100 19.176,101 5.87,102 41.889,103 9.116,104 26,105 30,106 0.263,107 0.631,108 0.805,109 0.875,110 0.892,111 0.892,112 3.146,113 0.909,114 -4.35,115 -4.28,116 -4.04,119 40.5,121 2,125 1,133 2,134 2,139 3,140 3,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 5,172 3,173 3,175 1,178 10,180 1,182 6,187 1,189 10,191 1,193 4,195 1,196 1,197 1,198 2,200 2,201 9,204 2,205 1,207 6,212 3,215 10,218 3,221 5,226 3,229 8,231 3,234 2,239 3,241 5,243 3,245 2,246 2,248 1,249 1,251 3,254 3,256 3,260 2,265 2,268 1,270 2,273 656,274 14.878,275 14.878,276 14.878,277 14.878,278 14.878,279 13.066,280 22.679,281 9.183,282 15.189,283 11.296,284 11.296,285 11.296,286 11.296,287 11.296,288 8.549,289 29.991,290 4.252,291 11.813,292 3.903,293 1.815,294 0.827,295 0.429,296 0.333,297 0.333,298 3.809,300 1,301 1,302 1,303 441,304 3,307 156.07,314 1.525,315 18.068,316 1,317 1,318 1,319 1,320 1,321 0.6,322 0.5,323 1,324 1,325 0.87,326 47,327 217,328 4.309,329 3.228,330 6.193,331 3.928,332 2.952,333 3.956,334 1.151,335 9.268,336 2.886,337 4.199,338 3.059,339 6.074,340 3.781,341 2.823,342 3.841,343 0.68,344 8.791,345 2.707,346 3.598,347 2.559,348 5.25,349 3.237,350 2.281,351 2.927,352 0.68,353 6.65,354 2.18,355 3.366,356 2.336,357 4.916,358 2.945,359 2.006,360 2.666,362 5.638,363 1.874,364 3.035,365 2.156,366 4.444,367 2.708,368 1.754,369 2.15,371 4.456,372 1.664,373 2.829,374 1.805,375 4.126,376 2.372,377 1.429,378 1.954,380 3.652,381 1.346,382 2.784,383 1.556,384 3.456,385 2.318,386 1.356,387 1.739,389 2.617,390 1.296,391 2.582,392 1.212,393 3.174,394 2,395 1,396 1.439,398 1.789,399 1,400 1.913,401 0.872,402 3.074,403 1.486,404 0.543,405 0.686,407 1.138,408 0.508,409 1.589,410 0.573,411 2.554,412 1.214,413 0.281,414 0.352,415 0.549,416 0.261,417 1.261,418 0.139,419 2.363,420 0.789,421 -0.17,422 -0.229,423 -0.285,424 -0.161,425 0.98,426 -0.148,427 2.358,428 0.59,429 -0.389,430 -0.507,431 -0.813,432 -0.381,433 0.796,434 -0.314,435 2.145,436 0.392,437 -0.515,438 -0.621,439 -1.242,440 -0.466,441 0.488,442 -0.536,443 1.895,444 0.139,445 -0.822,446 -1.064,448 -1.802,449 -0.783,450 0.46,451 -0.863,452 1.535,454 -1,455 -1.462,457 -2.351,458 -1,459 10.433,460 0.474,461 0.451,462 0.021,463 29,464 1.318,465 15.5,466 0.705,467 13.5,468 0.614,469 15.096,470 0.686,471 23.767,472 0.566,473 20.956,474 0.953,475 6.102,476 0.277,477 4.533,478 0.206,479 0.173,481 0.288,485 1.057,486 1.209,487 0.895,488 1.043,489 1.341,490 0.954,491 0.904,492 0.943,493 0.875,494 1.04,495 0.651,496 0.982,497 1.193,498 1.199,499 1.025,500 1.149,501 0.899,502 1.082,503 1.348,504 0.851,505 1.099,506 0.942,507 0.98,508 0.994,509 0.765,510 1.11,511 1.024,512 1.16,513 0.763,514 1.132,515 1.044,516 0.949,517 1.022,518 0.97,519 0.982,520 0.995,521 0.596,522 1.188,523 0.946,524 1.199,525 0.842,526 1.132,527 0.772,528 0.823,529 0.879,530 0.834,531 0.869,532 0.862,533 4.5,534 0.083,535 2.222,536 1.25,537 1.227,538 0.528,539 0.526,540 0.339,541 0.156,542 0.127,543 4583,544 12559,545 1.969,546 47.6,547 4,548 11,550 1,551 4,555 1.646,556 1.833,557 3.281,558 1.825,559 1,560 1,562 1,564 62.552,565 1.489,566 3.577,567 4.565,568 4.964,569 5.059,570 5.059,571 2.738,572 4.096,573 4.426,574 3.402,575 785.828,576 7.612,577 8776.92,578 1,579 1,581 1,582 226.477,583 1.435,584 4.382,585 0.196,586 0.009,587 0.074,588 0.04,589 0.044,590 0.02,591 0.022,592 0.017,593 0.009,594 0.01,595 0.44,596 0.17,597 1,598 1.482,599 101.842,600 -0.11,601 0.003,602 0.011,603 0.024,604 -0.297,605 0.038,606 0.186,607 0.151,608 0.067,609 0.005,610 0.153,611 0.01,612 -0.104,613 -0.145,614 -0.073,615 -0.125,616 -0.065,617 -0.098,618 -0.134,619 0.138,620 -0.114,621 0.046,622 -0.043,623 -0.024,624 -0.044,625 -0.115,626 -0.093,627 -0.127,628 0.013,629 -0.117,630 -0.116,631 -0.009,632 -0.049,633 0.02,634 -0.105,635 -0.004,636 0.061,637 -0.26,639 -0.19,640 -0.011,641 -0.117,642 0.286,643 0.078,644 0.136,645 0.095,646 0.177,647 0.097,648 1.484,649 2.152,650 0.545,651 19.62,652 0.995,653 1.132,654 3.116,655 9.708,656 0.656,657 3.178,658 3.434,659 3.638,660 3.85,661 4.06,662 4.025,663 4.043,664 4.127,665 4.111,666 4.078,667 5.741,668 0.619,669 296.41,670 3.178,671 4.673,672 5.485,673 6.333,674 7.171,675 8.026,676 8.874,677 9.732,678 10.583,679 11.442,680 9.5,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 1,718 42,719 14,720 1,721 23,723 43,724 17,725 10,726 3,727 3,729 2,730 2,739 2,741 14,742 3,744 2,745 2,749 2,753 1,754 1,757 20,758 5,759 4,760 5,764 4,769 1,770 1,776 1,781 2,794 2,795 2,802 2,810 22,811 2,816 3,818 1,829 2.4,834 1,836 12,837 7.233,838 5.139,839 2.203,840 2.392,841 1.371,842 0.96,843 5.558,844 8.841,845 3.466,846 3.989,847 4.483,848 5.006,849 5.541,850 5.637,851 5.85,852 6.259,853 6.525,854 6.788,855 0.857,856 31,857 8.033,859 3.206,860 7.773,861 15.184,863 11.682,865 2.273,866 50,869 1,870 188.338,871 116.651,872 99.365,874 11,877 116.651,878 199.338,879 99.365,881 41.195,882 113.176,883 45.342,884 34.847,885 4.227,886 176.567,888 188.338,889 216.017,890 11,893 188.338,894 11,897 20.608,898 142.885,899 52.524,901 188.338,902 110.365,903 116.651,906 188.338,907 28.689,908 56.429,910 141.899,911 188.338,912 110.365,913 116.651,915 0.555,916 0.317,917 0.175,918 0.103,919 12,920 6,921 0.163,922 7,924 1,925 3.396,926 158.907,928 12,929 98.107,933 16.053,934 7.618,935 4.333,937 110.365,938 7.69,939 7.967,943 4.447,945 65.794,946 415.354,947 31,948 7.444,952 3.568,956 41.803,957 47.524,958 0.276,959 0.663,960 0.847,961 0.921,962 0.938,963 0.938,964 4.654,965 1,966 5.442,967 2.617,968 4.111,969 4.673,970 1.704,971 6.192,972 4.029,973 5.836,974 0.543,975 6.963,976 1.789,977 3.611,978 4.407,980 6.969,981 3.498,982 7.115,983 0.281,984 8.584,985 1.138,986 5.638,987 6.811,988 1.68,989 10.029,990 5.488,991 8.431,992 -0.17,993 10.261,994 0.549,995 5.943,996 7.341,998 11.605,999 5.766,1000 9.778,1001 -0.389,1002 11.975,1003 -0.285,1004 7.434,1005 9.226,1006 1.799,1007 14.162,1008 7.228,1009 11.146,1010 -0.515,1011 13.712,1012 -0.813,1013 8.128,1014 10.139,1016 16.079,1017 7.897,1018 12.532,1019 -0.822,1020 15.467,1021 -1.242,1022 9.385,1023 11.787,1024 1.993,1025 18.439,1026 9.128,1027 2.952,1028 -1,1029 17.234,1030 -1.802,1031 10.271,1032 12.898,1034 20.513,1035 9.989,1036 2.823,1037 9.268,1038 19.011,1039 -2.351,1040 11.421,1041 14.423,1042 2.223,1043 22.788,1044 11.115,1045 2.281,1046 8.791,1047 20.795,1048 3.956,1049 12.402,1050 15.643,1052 24.934,1053 12.069,1054 2.006,1055 6.65,1056 22.584,1057 3.841,1058 13.505,1059 17.1,1060 2.471,1061 27.173,1062 13.148,1063 1.754,1064 5.638,1065 24.379,1066 2.927,1067 14.53,1068 18.381,1070 29.353,1071 14.148,1072 1.429,1073 4.456,1074 26.177,1075 2.666,1076 15.612,1077 19.799,1078 2.729,1079 31.577,1080 15.206,1081 1.356,1082 3.652,1083 27.978,1084 2.15,1085 16.66,1086 21.115,1088 33.773,1089 16.229,1090 4730,1091 7922,1092 14.909,1093 27.569,1094 33.453,1095 33.564,1096 34.459,1097 32.85,1098 32.851,1099 43.42,1100 5.022,1101 89.096,1102 31.444,1103 5.093,1104 5.228,1105 6.055,1106 4.997,1107 4.952,1108 6.956,1109 2.302,1110 15.638,1111 4.886,1112 12.021,1113 1.454,1114 1.459,1115 1.498,1116 1.428,1117 1.428,1118 1.888,1119 0.218,1120 3.874,1121 1.367,1122 3.999,1123 4.03,1124 3.947,1125 3.926,1126 5.291,1127 3.926,1128 3.823,1129 3.871,1130 3.782,1131 3.668,1132 4.979,1133 3.69,1134 3.562,1135 3.616,1136 3.422,1137 3.425,1138 4.883,1139 3.415,1140 3.501,1141 3.56,1142 3.361,1143 3.391,1144 4.715,1145 3.377,1146 3.197,1147 3.28,1148 3.081,1149 3.001,1150 4.625,1151 3.014,1152 3.013,1153 3.128,1154 2.869,1155 2.77,1156 4.446,1157 2.752,1158 2.893,1159 2.97,1160 2.723,1161 2.704,1162 4.203,1163 2.731,1164 2.868,1165 2.955,1166 2.717,1167 2.577,1168 3.746,1169 2.603,1170 0.187,1171 0.14,1172 0.269,1173 0.171,1174 0.128,1175 4.309,1176 0.172,1177 3.228,1178 0.05,1179 6.193,1180 0.403,1181 3.928,1182 0.125,1183 2.952,1184 3.956,1185 1.151,1186 9.268,1187 2.886,1188 1.962,1189 1.94,1190 2.067,1191 2.059,1192 1.258,1193 2.06,1194 1.755,1195 1.711,1196 1.865,1197 1.938,1198 0.992,1199 1.917,1200 1.562,1201 1.509,1202 1.804,1203 1.736,1204 0.822,1205 1.761,1206 1.513,1207 1.458,1208 1.721,1209 1.664,1210 0.71,1211 1.692,1212 1.147,1213 1.08,1214 1.384,1215 1.416,1216 0.374,1217 1.413,1218 0.928,1219 0.857,1220 1.249,1221 1.295,1222 0.203,1223 1.294,1224 0.911,1225 0.812,1226 1.232,1227 1.133,1228 0.111,1229 1.166,1230 0.803,1231 0.703,1232 1.181,1233 1.117,1234 0.017,1235 1.147,1236 3.85,1238 5.118,1240 6.586,1242 8.155,1244 9.774,1250 11.392,1252 1.842,1254 5.652,1262 26.015,1263 62.552,1264 150.239,1265 191.722,1266 208.477,1267 212.477,1268 212.477,1269 35.268,1270 6.449,1271 87.05,1272 87.05,1273 12,1274 11.995,1275 3.907,1276 3.17,1277 42.191,1278 75,1279 80,1280 0.28,1281 166.808,1282 287.81,1283 398.771,1284 4502,1286 15.949,1287 0.725,1288 0.566,1289 15.949,1290 12.457,1291 10.635,1292 0.462,1293 0.303,1294 6.886,1295 10.295,1296 6.693,1297 5.631,1298 10.635,1299 6.97,1300 9.021,1301 0.301,1302 0.162,1303 9.021,1304 4.85,1305 7.082,1306 0.191,1307 0.085,1308 7.082,1309 3.157,1310 5.715,1311 0.124,1312 0.046,1313 5.715,1314 2.138,1315 4.633,1316 0.081,1317 0.025,1318 4.633,1319 1.446,1320 0.437,1321 66.155,1322 0.259,1323 21.806,1324 0.776,1325 106,1326 295.65,1327 115.593,1328 293.796,1329 401.36,1330 274,1331 120,1332 296.426,1333 128.983,1334 303.841,1335 436.71,1336 284,1337 4.959}
{0 CHEMBL61415,1 1.68,2 9.458,3 2.163,4 4.679,5 92.383,6 7.66,7 0.615,8 3.89,9 4.011,10 3.466,11 3.3,12 5.091,13 3.328,14 4.378,15 4.558,16 3.814,17 3.661,18 5.55,19 3.676,20 4.481,21 4.634,22 3.863,23 3.803,24 5.598,25 3.795,26 4.664,27 4.86,28 3.889,29 3.87,30 5.829,31 3.809,32 4.759,33 5.004,34 3.709,35 3.825,36 5.756,37 3.743,38 4.648,39 4.86,40 3.571,41 3.741,42 5.637,43 3.666,44 4.57,45 4.815,46 3.473,47 3.663,48 5.578,49 3.556,50 4.578,51 4.89,52 3.434,53 3.461,54 5.483,55 3.373,56 0.122,57 0.653,58 8.886,59 3.269,60 12.672,61 4.4,62 0.452,63 0.961,64 16.95,65 5.329,66 33.123,67 7.207,68 0.29,69 1.104,70 17.274,71 6.031,72 19.503,73 8.272,74 0.586,75 1.199,76 22.372,77 7.966,78 44.873,79 11.383,80 0.641,81 1.174,82 27.504,83 7.963,84 56.4,85 11.738,86 0.628,87 1.05,88 24.138,89 7.004,90 40.851,91 9.713,92 0.388,93 0.989,94 22.071,95 7.013,96 41.967,97 10.412,98 0.574,99 0.833,100 25.854,101 6.55,102 47.346,103 10.594,104 30,105 37,106 0.293,107 0.689,108 0.797,109 0.808,110 0.808,111 0.808,112 3.229,113 0.84,114 -2.98,115 -2.98,116 -2.88,119 37.2,124 3,125 1,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 1,158 1,159 1,166 1,169 1,170 9,172 2,173 4,175 3,178 3,182 3,187 1,192 3,193 3,196 3,197 3,198 1,200 2,201 2,204 1,206 2,210 1,212 1,215 2,218 1,221 2,226 2,229 1,234 6,236 1,237 1,239 2,241 1,249 2,251 1,259 4,260 2,263 2,265 3,270 2,273 746,274 16.066,275 16.066,276 16.066,277 16.066,278 16.066,279 14.168,280 24.172,281 9.235,282 16.777,283 12.704,284 12.704,285 12.704,286 12.704,287 12.704,288 9.654,289 36.279,290 4.238,291 13.662,292 3.746,293 1.478,294 0.861,295 0.797,296 0.797,297 0.797,298 3.905,300 1,301 1,302 1,303 479,304 3.162,306 51.498,307 141.763,310 96.654,314 1.375,315 23.225,316 1,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 53.5,327 227,328 4.641,329 3.334,330 6.786,331 4.161,332 3.199,333 4.609,334 0.916,335 11.135,336 3.081,337 4.251,338 3.143,339 6.127,340 3.865,341 2.914,342 3.874,343 0.86,344 9.057,345 2.768,346 3.742,347 2.805,348 5.478,349 3.381,350 2.454,351 3.165,352 0.86,353 7.227,354 2.269,355 3.563,356 2.555,357 5.266,358 3.173,359 2.25,360 2.829,361 0.172,362 6.539,363 2.073,364 3.404,365 2.431,366 5.063,367 2.972,368 2.061,369 2.771,371 5.818,372 1.867,373 3.355,374 2.182,375 4.969,376 2.884,377 1.98,378 2.604,380 5.79,381 1.784,382 3.038,383 1.908,384 4.77,385 2.648,386 1.696,387 2.214,389 5.006,390 1.61,391 2.421,392 1.378,393 3.993,394 2.074,395 1.129,396 1.401,398 3.055,399 1.063,400 2.243,401 1.019,402 3.587,403 1.735,404 0.815,405 1.147,407 2.067,408 0.748,409 1.592,410 0.916,411 2.842,412 1.323,413 0.472,414 0.516,415 0.677,416 0.399,417 1.576,418 0.892,419 2.842,420 1.27,421 0.396,422 0.452,423 0.602,424 0.342,425 1.171,426 0.234,427 2.754,428 0.829,429 -0.099,430 -0.117,431 -0.265,432 -0.092,433 0.959,434 -0.147,435 2.66,436 0.51,437 -0.396,438 -0.514,439 -1.07,440 -0.355,441 0.714,442 -0.339,443 2.303,444 0.317,445 -0.601,446 -0.707,448 -1.493,449 -0.547,450 0.65,451 -0.362,452 2,453 0.241,454 -0.694,455 -0.878,457 -1.599,458 -0.637,459 11,460 0.458,461 0.66,462 0.028,463 33.25,464 1.385,465 16.5,466 0.688,467 16.75,468 0.698,469 17.079,470 0.712,471 26.8,472 0.623,473 24.921,474 1.038,475 6.93,476 0.289,477 4.581,478 0.191,479 0.203,481 0.4,485 1.052,486 1.529,487 0.801,488 1.193,489 1.091,490 0.969,491 1.11,492 0.785,493 0.761,494 0.679,495 0.62,496 0.65,497 1.102,498 1.4,499 1.025,500 1.232,501 0.93,502 1.124,503 0.455,504 1.179,505 0.922,506 1.318,507 0.618,508 1.249,509 1.036,510 0.868,511 1.049,512 0.954,513 1.186,514 0.996,515 1.54,516 0.978,517 1.336,518 1.012,519 0.983,520 1.126,521 0.816,522 1.09,523 1.059,524 1.214,525 1.025,526 1.192,527 0.78,528 0.655,529 0.555,530 0.586,531 0.784,532 0.53,533 6,534 0.099,535 2.444,536 2.285,537 1.698,538 0.972,539 0.397,540 0.259,541 0.317,542 0.188,543 5895,544 17964,545 2.015,546 44.2,548 14,549 1,551 4,555 1.671,556 1.846,557 3.218,558 1.86,559 1,560 1,562 1,564 72.254,565 1.68,566 3.948,567 4.565,568 4.629,569 4.629,570 4.629,571 2.669,572 3.855,573 4.56,574 3.361,575 927.577,576 7.875,577 10781.5,579 1,581 1,582 233.329,583 1.528,584 4.493,585 0.231,586 0.009,587 0.066,588 0.06,589 0.047,590 0.032,591 0.015,592 0.011,593 0.014,594 0.01,595 0.496,596 0.17,597 1,598 0.961,599 113.266,600 -0.156,601 -0.272,602 0.031,603 -0.1,604 -0.207,605 -0.004,606 -0.038,607 0.335,608 0.173,609 0.325,610 0.159,611 0.294,612 -0.202,613 -0.223,614 -0.16,615 -0.167,616 -0.152,617 -0.153,618 0.36,619 -0.111,620 -0.017,621 -0.273,622 0.244,623 -0.246,624 -0.085,625 0.075,626 -0.06,627 0.014,628 -0.135,629 -0.012,630 -0.362,631 -0.022,632 -0.349,633 -0.027,634 -0.215,635 -0.166,636 -0.044,637 -0.134,638 -0.107,639 -0.206,640 -0.08,641 -0.173,642 0.151,643 0.1,644 0.529,645 0.339,646 0.155,647 0.496,648 1.801,649 4.06,650 0.625,651 17.931,652 1.016,653 1.14,654 1.751,655 3.065,656 0.645,657 3.296,658 3.638,659 3.912,660 4.205,661 4.382,662 4.443,663 4.466,664 4.489,665 4.522,666 4.543,667 5.681,668 0.626,669 329.4,670 3.296,671 4.844,672 5.7,673 6.594,674 7.469,675 8.367,676 9.248,677 10.147,678 11.031,679 11.931,680 11.6,684 1,686 1,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 1,714 1,715 1,716 2,718 43,719 16,720 1,721 26,723 45,724 16,725 12,726 3,727 3,729 3,730 4,741 12,742 4,753 1,754 1,757 19,758 7,759 4,760 8,764 5,769 0.667,770 3,776 1,777 1,780 1,781 2,784 1,802 2,806 3,810 24,811 1,815 1,816 1,818 2,821 1,829 7,831 1,834 2,836 13,837 8.55,838 5.361,839 2.142,840 3.103,841 1.44,842 0.954,843 4.684,844 10.161,845 3.555,846 4.216,847 4.845,848 5.481,849 5.96,850 6.245,851 6.525,852 6.81,853 6.946,854 7.184,855 1,856 38,857 8.787,859 3.647,860 7.847,861 16.435,863 12.905,865 2.347,866 56.333,870 176.567,871 92.361,872 86.378,874 64.683,877 92.361,878 241.25,879 86.378,880 30.162,881 2.106,882 70.373,883 77.97,884 60.912,885 13.67,886 164.795,888 176.567,889 178.739,890 64.683,893 176.567,894 64.683,897 22.506,898 122.662,899 33.571,901 176.567,902 151.061,903 92.361,906 176.567,907 24.722,908 70.763,909 16.786,910 131.151,911 176.567,912 151.061,913 92.361,915 0.583,916 0.35,917 0.195,918 0.107,919 18,920 9,921 0.111,922 5,923 1,924 1.133,925 3.502,926 195.697,927 0.133,928 15,929 102.039,933 16.668,934 6.745,935 3.372,936 1.067,937 134.276,938 7.412,939 7.898,940 3.005,943 3.066,945 92.366,946 419.989,947 34,956 43.676,957 49.026,958 0.31,959 0.728,960 0.841,961 0.853,962 0.853,963 0.853,964 4.796,965 1.129,966 5.707,967 5.006,968 4.317,969 4.902,970 1.698,971 6.541,972 4.187,973 6.031,974 0.815,975 7.283,976 3.055,977 4.007,978 4.856,979 0.325,980 7.469,981 3.827,982 7.359,983 0.472,984 8.952,985 2.067,986 5.938,987 7.194,988 1.422,989 10.571,990 5.708,991 8.725,992 0.396,993 10.675,994 0.677,995 6.399,996 7.952,997 0.393,998 12.317,999 6.129,1000 10.119,1001 -0.099,1002 12.433,1003 0.602,1004 7.833,1005 9.798,1006 1.2,1007 14.956,1008 7.527,1009 11.536,1010 -0.396,1011 14.216,1012 -0.265,1013 8.655,1014 10.949,1015 0.384,1016 17.075,1017 8.314,1018 12.97,1019 -0.601,1020 16.02,1021 -1.07,1022 9.9,1023 12.596,1024 1.01,1025 19.552,1026 9.527,1027 3.199,1028 -0.694,1029 17.84,1030 -1.493,1031 10.895,1032 13.942,1033 0.351,1034 21.835,1035 10.488,1036 2.914,1037 11.135,1038 19.674,1039 -1.599,1040 12.069,1041 15.508,1042 0.845,1043 24.258,1044 11.629,1045 2.454,1046 9.057,1047 21.52,1048 4.609,1049 13.144,1050 16.946,1051 0.312,1052 26.61,1053 12.67,1054 2.25,1055 7.227,1056 23.376,1057 3.874,1058 14.294,1059 18.481,1060 0.702,1061 29.016,1062 13.787,1063 2.061,1064 6.539,1065 25.241,1066 3.165,1067 15.406,1068 19.964,1069 0.273,1070 31.398,1071 14.865,1072 1.98,1073 5.818,1074 27.112,1075 2.829,1076 16.55,1077 21.488,1078 0.579,1079 33.801,1080 15.975,1081 1.696,1082 5.79,1083 28.99,1084 2.771,1085 17.68,1086 22.991,1087 0.236,1088 36.196,1089 17.07,1090 5844,1091 10321,1092 16.819,1093 27.722,1094 38.882,1095 39.559,1096 40.846,1097 38.664,1098 38.733,1099 51.164,1100 5.618,1101 113.946,1102 36.007,1103 5.485,1104 5.334,1105 6.339,1106 5.234,1107 5.199,1108 7.609,1109 1.776,1110 18.03,1111 5.081,1112 13.771,1113 1.495,1114 1.521,1115 1.571,1116 1.487,1117 1.49,1118 1.968,1119 0.216,1120 4.383,1121 1.385,1122 4.11,1123 4.153,1124 4.083,1125 3.971,1126 6.476,1127 3.994,1128 3.922,1129 3.944,1130 3.877,1131 3.819,1132 5.22,1133 3.83,1134 3.494,1135 3.568,1136 3.408,1137 3.259,1138 4.926,1139 3.286,1140 3.336,1141 3.425,1142 3.225,1143 3.062,1144 4.809,1145 3.092,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.13,1153 3.222,1154 2.936,1155 2.866,1156 4.314,1157 2.855,1158 3.013,1159 3.078,1160 2.872,1161 2.7,1162 4.136,1163 2.743,1164 2.841,1165 2.959,1166 2.589,1167 2.576,1168 3.958,1169 2.561,1170 0.179,1171 0.128,1172 0.261,1173 0.16,1174 0.123,1175 4.641,1176 0.177,1177 3.334,1178 0.035,1179 6.786,1180 0.428,1181 4.161,1182 0.118,1183 3.199,1184 4.609,1185 0.916,1186 11.135,1187 3.081,1188 1.898,1189 1.875,1190 1.992,1191 2.031,1192 1.159,1193 2.018,1194 1.801,1195 1.774,1196 1.847,1197 1.983,1198 1.004,1199 1.943,1200 1.564,1201 1.5,1202 1.726,1203 1.782,1204 0.755,1205 1.775,1206 1.285,1207 1.203,1208 1.59,1209 1.574,1210 0.609,1211 1.573,1212 1.227,1213 1.163,1214 1.574,1215 1.558,1216 0.584,1217 1.565,1218 1.119,1219 1.022,1220 1.516,1221 1.412,1222 0.55,1223 1.449,1224 1.027,1225 0.927,1226 1.295,1227 1.363,1228 0.299,1229 1.359,1230 0.79,1231 0.698,1232 1.141,1233 1.148,1234 0.091,1235 1.147,1236 3.97,1238 5.303,1239 2.398,1240 6.828,1241 4.727,1242 8.444,1243 6.843,1244 10.112,1246 5.151,1250 5.55,1251 10.06,1252 0.525,1254 10.597,1257 2.003,1262 26.939,1263 72.254,1264 169.766,1265 196.31,1266 199.065,1267 199.065,1268 199.065,1269 35.659,1270 7.058,1271 109.52,1272 109.52,1273 17,1274 12.456,1275 4.087,1276 3.17,1277 39.227,1278 83,1279 74,1280 0.238,1281 167.536,1282 278.47,1283 400.548,1284 10155,1286 17.267,1287 0.719,1288 0.571,1289 17.267,1290 13.699,1291 11.512,1292 0.443,1293 0.28,1294 7.092,1295 10.796,1296 6.841,1297 5.744,1298 11.512,1299 7.281,1300 10.457,1301 0.283,1302 0.145,1303 10.457,1304 5.37,1305 8.706,1306 0.178,1307 0.077,1308 8.706,1309 3.796,1310 7.5,1311 0.114,1312 0.039,1313 7.5,1314 2.578,1315 5.797,1316 0.073,1317 0.021,1318 5.797,1319 1.673,1320 0.368,1321 74.096,1322 0.244,1323 23.157,1324 0.668,1325 126,1326 414.201,1327 143.13,1328 393.144,1329 537.1,1330 368,1331 149,1332 398.037,1333 165.634,1334 405.147,1335 587.79,1336 375,1337 4.06}
{0 CHEMBL61857,1 1.446,2 8.783,3 3.747,4 14.036,5 95.025,6 6.648,7 0.48,8 3.928,9 4.07,10 3.392,11 3.441,12 4.974,13 3.403,14 4.476,15 4.674,16 3.773,17 3.851,18 5.456,19 3.784,20 4.715,21 4.929,22 3.827,23 4.006,24 5.644,25 3.916,26 4.827,27 5.067,28 3.726,29 4.037,30 5.729,31 3.907,32 4.769,33 5.014,34 3.658,35 4.005,36 5.605,37 3.86,38 4.805,39 5.064,40 3.555,41 3.967,42 5.601,43 3.805,44 4.781,45 5.076,46 3.51,47 3.873,48 5.52,49 3.697,50 4.71,51 5.01,52 3.42,53 3.692,54 5.617,55 3.531,56 0.059,57 0.698,58 11.068,59 4.25,60 11.787,61 6.145,62 0.208,63 1.09,64 19.772,65 7.784,66 25.514,67 10.902,68 0.206,69 1.306,70 25.423,71 9.173,72 27.758,73 13.359,74 0.339,75 1.384,76 28.849,77 10.253,78 42.268,79 14.904,80 0.183,81 1.327,82 26.688,83 10.068,84 29.519,85 14.851,86 0.253,87 1.317,88 28.076,89 9.968,90 31.133,91 14.877,92 0.155,93 1.24,94 27.321,95 9.846,96 25.715,97 15.052,98 0.402,99 1.133,100 26.314,101 7.507,102 45.521,103 12.327,104 28,105 36,106 0.25,107 0.589,108 0.79,109 0.864,110 0.871,111 0.871,112 3.189,113 0.982,114 -4.74,115 -4.66,116 -4.37,119 38.3,120 3,121 3,122 1,127 1,139 2,140 4,141 1,142 1,144 1,147 1,157 2,158 2,159 2,166 11,169 1,170 6,172 3,173 3,175 1,178 13,180 1,182 6,187 1,189 15,191 1,193 4,195 1,196 1,197 1,198 2,200 2,201 14,204 2,205 1,207 6,212 3,215 13,218 3,221 5,226 3,229 8,231 3,234 4,239 4,241 4,243 4,245 2,246 4,248 1,249 1,251 4,256 4,260 4,265 4,270 4,273 689,274 15.248,275 15.248,276 15.248,277 15.248,278 15.248,279 13.72,280 22.272,281 8.858,282 15.547,283 12.282,284 12.282,285 12.282,286 12.282,287 12.282,288 9.907,289 28.532,290 4.139,291 12.781,292 4.108,293 2.149,294 0.99,295 0.559,296 0.516,297 0.516,298 3.864,300 1,301 1,302 1,303 427,304 2.739,306 50.468,307 128.524,310 89.984,314 1.221,315 18.455,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 49,327 202,328 4.527,329 3.554,330 6.809,331 4.219,332 3.247,333 4.166,334 0.86,335 11.21,336 3.157,337 4.237,338 3.1,339 6.093,340 3.837,341 2.875,342 3.879,343 0.68,344 8.87,345 2.77,346 3.741,347 2.75,348 5.874,349 3.512,350 2.53,351 3.01,353 7.953,354 2.484,355 3.55,356 2.519,357 5.294,358 3.217,359 2.254,360 2.818,362 6.735,363 2.171,364 3.365,365 2.219,366 5.023,367 2.954,368 2.012,369 2.66,371 5.698,372 1.883,373 2.968,374 2.032,375 4.917,376 2.714,377 1.744,378 2.048,380 5.321,381 1.686,382 2.819,383 1.763,384 4.3,385 2.356,386 1.422,387 1.944,389 3.752,390 1.323,391 2.394,392 1.541,393 4.112,394 2.298,395 1.35,396 1.391,398 3.496,399 1.271,400 2.031,401 0.971,402 3.232,403 1.882,404 0.905,405 0.991,407 1.695,408 0.879,409 1.631,410 0.652,411 3.101,412 1.354,413 0.401,414 0.475,415 0.988,416 0.38,417 1.246,418 0.278,419 2.637,420 1.018,421 0.057,422 0.064,423 0.126,424 0.055,425 0.883,426 -0.146,427 2.51,428 0.625,429 -0.363,430 -0.42,431 -0.719,432 -0.359,433 0.797,434 -0.314,435 2.359,436 0.397,437 -0.514,438 -0.62,439 -1.242,440 -0.466,441 0.616,442 -0.352,443 2.338,444 0.372,445 -0.581,446 -0.669,448 -1.539,449 -0.553,450 0.369,451 -0.616,452 2.093,453 0.143,454 -0.837,455 -0.988,457 -2.152,458 -0.815,459 10.933,460 0.475,461 0.682,462 0.03,463 28,464 1.217,465 13.5,466 0.587,467 14.5,468 0.63,469 21.448,470 0.933,471 25.667,472 0.546,473 18.316,474 0.796,475 4.922,476 0.214,477 6.068,478 0.264,479 0.21,481 0.412,485 1.024,486 1.251,487 0.934,488 1.102,489 1.258,490 1.014,491 0.756,492 0.923,493 0.785,494 1.003,495 0.491,496 0.923,497 1.227,498 1.117,499 1.007,500 1.086,501 0.866,502 1.039,503 1.265,504 0.944,505 1.138,506 1.055,507 1.011,508 1.091,509 0.786,510 1.123,511 1.048,512 1.183,513 0.76,514 1.156,515 1.041,516 1.077,517 1.131,518 1.137,519 0.938,520 1.152,521 0.441,522 1.128,523 0.788,524 1.082,525 0.493,526 0.995,527 0.847,528 1.061,529 0.952,530 0.969,531 1.052,532 0.966,533 5.5,534 0.078,535 2.889,536 2.201,537 1.578,538 0.796,539 0.684,540 0.398,541 0.27,542 0.153,543 5090,544 11546,545 2.016,546 51.1,547 12,548 3,550 1,551 4,553 4,555 1.661,556 1.84,557 3.114,558 1.779,560 1,564 67.968,565 1.446,566 3.406,567 4.565,568 4.996,569 5.038,570 5.038,571 2.496,572 4.263,573 4.495,574 3.247,575 821.365,576 7.763,577 9190.93,579 1,581 1,582 261.066,583 1.538,584 4.428,585 0.22,586 0.013,587 0.08,588 0.059,589 0.049,590 0.027,591 0.026,592 0.016,593 0.013,594 0.012,595 0.515,597 1,598 1.069,599 106.142,600 -0.085,601 0.024,602 0.033,603 0.044,604 -0.204,605 0.057,606 0.238,607 0.192,608 0.187,609 0.092,610 0.299,611 0.123,612 -0.1,613 -0.055,614 -0.025,615 -0.025,616 -0.016,617 -0.018,618 -0.118,619 0.067,620 -0.154,621 -0.031,622 -0.063,623 -0.092,624 -0.048,625 -0.114,626 -0.105,627 -0.127,628 -0.009,629 -0.124,630 -0.129,631 -0.104,632 -0.17,633 -0.12,634 -0.12,635 -0.149,636 0.139,637 -0.231,638 0.147,639 -0.077,640 0.157,641 0.017,642 0.216,643 -0.129,644 0.047,645 -0.068,646 0.068,647 -0.036,648 1.456,649 2.581,650 0.652,651 17.259,652 0.991,653 1.135,654 3.511,655 12.324,656 0.64,657 3.258,658 3.611,659 3.892,660 4.174,661 4.407,662 4.466,663 4.575,664 4.691,665 4.673,666 4.691,667 5.321,668 0.597,669 312.46,670 3.258,671 4.812,672 5.673,673 6.569,674 7.454,675 8.355,676 9.249,677 10.152,678 11.051,679 11.956,680 8.5,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 1,718 47,719 12,720 1,721 25,723 49,724 18,725 10,726 4,727 2,729 3,730 4,734 3,736 1,737 1,739 4,741 10,742 8,743 1,754 1,757 24,758 5,759 4,760 5,764 4,769 0.667,770 1,776 1,780 1,781 2,784 1,802 2,806 3,810 23,811 2,816 3,818 1,820 2,829 2.1,834 1,836 12.5,837 9.15,838 5.056,839 3.071,840 2.268,841 1.324,842 0.973,843 4.445,844 9.275,845 3.466,846 4.078,847 4.63,848 5.193,849 5.722,850 5.909,851 6.199,852 6.568,853 6.817,854 7.104,855 0.833,856 37,857 8.49,859 3.556,860 7.601,861 16.536,863 13.727,865 2.101,866 48.333,869 1,870 235.422,871 84.292,872 99.365,874 11,877 84.292,878 246.422,879 99.365,880 26.476,881 7.604,882 84.747,883 45.342,884 38.033,885 4.227,886 223.651,888 235.422,889 183.657,890 11,893 188.338,894 58.084,897 45.026,898 105.061,899 33.571,901 235.422,902 110.365,903 84.292,906 235.422,907 29.816,908 54.476,910 110.365,911 235.422,912 110.365,913 84.292,915 0.587,916 0.348,917 0.191,918 0.109,919 18,920 9,921 0.082,922 4,923 1,924 1.133,925 3.4,926 186.682,927 0.133,928 15,929 104.042,933 16.067,934 6.363,935 3.133,937 110.365,938 6.175,939 8.104,943 6.449,945 65.794,946 430.079,947 31,956 46.571,957 53.355,958 0.26,959 0.613,960 0.822,961 0.899,962 0.907,963 0.907,964 4.727,965 1.35,966 5.687,967 3.752,968 4.29,969 4.762,970 1.225,971 6.532,972 4.217,973 5.944,974 0.905,975 7.273,976 3.496,977 4.007,978 4.677,980 7.473,981 3.909,982 7.265,983 0.401,984 8.956,985 1.695,986 5.922,987 6.947,988 0.925,989 10.592,990 5.788,991 8.618,992 0.057,993 10.692,994 0.988,995 6.415,996 7.615,998 12.344,999 6.257,1000 10.001,1001 -0.363,1002 12.462,1003 0.126,1004 7.847,1005 9.422,1006 0.697,1007 14.997,1008 7.66,1009 11.405,1010 -0.514,1011 14.257,1012 -0.719,1013 8.698,1014 10.444,1016 17.113,1017 8.484,1018 12.826,1019 -0.581,1020 16.07,1021 -1.242,1022 9.947,1023 12.052,1024 0.525,1025 19.603,1026 9.706,1027 3.247,1028 -0.837,1029 17.897,1030 -1.539,1031 10.965,1032 13.255,1034 21.883,1035 10.694,1036 2.875,1037 11.21,1038 19.738,1039 -2.152,1040 12.147,1041 14.767,1042 0.395,1043 24.316,1044 11.85,1045 2.53,1046 8.87,1047 21.588,1048 4.166,1049 13.241,1050 16.066,1052 26.67,1053 12.914,1054 2.254,1055 7.953,1056 23.447,1057 3.879,1058 14.403,1059 17.529,1060 0.298,1061 29.086,1062 14.049,1063 2.012,1064 6.735,1065 25.314,1066 3.01,1067 15.532,1068 18.88,1070 31.472,1071 15.15,1072 1.744,1073 5.698,1074 27.188,1075 2.818,1076 16.69,1077 20.318,1078 0.224,1079 33.884,1080 16.28,1081 1.422,1082 5.321,1083 29.066,1084 2.66,1085 17.837,1086 21.696,1088 36.285,1089 17.399,1090 5067,1091 7754,1092 16.126,1093 30.091,1094 37.737,1095 38.146,1096 39.909,1097 37.6,1098 37.595,1099 46.892,1100 3.08,1101 111.689,1102 36.114,1103 5.383,1104 5.554,1105 6.572,1106 5.288,1107 5.247,1108 7.166,1109 1.72,1110 18.526,1111 5.157,1112 13.386,1113 1.509,1114 1.526,1115 1.596,1116 1.504,1117 1.504,1118 1.876,1119 0.123,1120 4.468,1121 1.445,1122 4.059,1123 4.082,1124 4.008,1125 3.987,1126 5.291,1127 3.988,1128 3.852,1129 3.904,1130 3.813,1131 3.693,1132 4.979,1133 3.715,1134 3.621,1135 3.685,1136 3.473,1137 3.496,1138 4.854,1139 3.481,1140 3.483,1141 3.55,1142 3.326,1143 3.343,1144 4.459,1145 3.331,1146 3.166,1147 3.262,1148 3.026,1149 2.964,1150 4.302,1151 2.968,1152 3.146,1153 3.245,1154 2.899,1155 2.945,1156 4.09,1157 2.917,1158 3.005,1159 3.123,1160 2.833,1161 2.737,1162 3.881,1163 2.738,1164 2.886,1165 2.99,1166 2.691,1167 2.639,1168 3.748,1169 2.645,1170 0.181,1171 0.142,1172 0.272,1173 0.169,1174 0.13,1175 4.527,1176 0.167,1177 3.554,1178 0.034,1179 6.809,1180 0.448,1181 4.219,1182 0.126,1183 3.247,1184 4.166,1185 0.86,1186 11.21,1187 3.157,1188 1.969,1189 1.947,1190 2.076,1191 2.055,1192 1.345,1193 2.06,1194 1.759,1195 1.713,1196 1.912,1197 1.937,1198 1.186,1199 1.923,1200 1.656,1201 1.602,1202 1.886,1203 1.829,1204 1.092,1205 1.857,1206 1.516,1207 1.449,1208 1.748,1209 1.711,1210 0.846,1211 1.737,1212 1.219,1213 1.144,1214 1.576,1215 1.468,1216 0.663,1217 1.503,1218 1.114,1219 1.024,1220 1.406,1221 1.391,1222 0.502,1223 1.403,1224 0.947,1225 0.849,1226 1.285,1227 1.292,1228 0.337,1229 1.303,1230 0.866,1231 0.758,1232 1.21,1233 1.163,1234 0.158,1235 1.2,1236 3.932,1238 5.273,1239 2.398,1240 6.806,1241 4.844,1242 8.431,1243 7.018,1244 10.106,1246 6.537,1250 11.545,1252 2.815,1254 6.081,1256 0.626,1262 28.068,1263 67.968,1264 160.069,1265 214.536,1266 234.801,1267 236.801,1268 236.801,1269 35.462,1270 7.008,1271 87.05,1272 87.05,1273 17,1274 12.476,1275 3.7,1276 2.807,1277 36.682,1278 73,1279 76,1280 0.252,1281 174.861,1282 298.03,1283 418.422,1284 9016,1286 16.56,1287 0.72,1288 0.607,1289 16.56,1290 13.965,1291 10.99,1292 0.44,1293 0.327,1294 8.104,1295 10.661,1296 7.796,1297 6.541,1298 10.99,1299 8.184,1300 10.177,1301 0.283,1302 0.176,1303 10.177,1304 6.35,1305 8.519,1306 0.177,1307 0.095,1308 8.519,1309 4.583,1310 7.048,1311 0.11,1312 0.049,1313 7.048,1314 3.152,1315 5.768,1316 0.071,1317 0.028,1318 5.768,1319 2.26,1320 0.384,1321 68.199,1322 0.249,1323 22.176,1324 0.723,1325 122,1326 297.65,1327 132.258,1328 294.384,1329 413.73,1330 276,1331 145,1332 319.335,1333 154.98,1334 324.965,1335 477.15,1336 306,1337 5.69}
{0 CHEMBL61927,1 1.68,2 9.375,3 2.163,4 4.679,5 92.383,6 7.66,7 0.615,8 3.89,9 4.011,10 3.466,11 3.3,12 5.091,13 3.328,14 4.378,15 4.558,16 3.814,17 3.661,18 5.545,19 3.676,20 4.482,21 4.634,22 3.891,23 3.804,24 5.612,25 3.8,26 4.671,27 4.86,28 3.903,29 3.878,30 5.83,31 3.83,32 4.786,33 5.019,34 3.698,35 3.867,36 5.801,37 3.775,38 4.693,39 4.941,40 3.605,41 3.783,42 5.616,43 3.681,44 4.621,45 4.87,46 3.566,47 3.639,48 5.638,49 3.571,50 4.464,51 4.712,52 3.51,53 3.488,54 5.56,55 3.423,56 0.122,57 0.653,58 8.886,59 3.269,60 12.698,61 4.4,62 0.452,63 0.961,64 16.95,65 5.329,66 32.99,67 7.207,68 0.307,69 1.104,70 17.271,71 6.049,72 19.31,73 8.336,74 0.521,75 1.211,76 22.449,77 7.804,78 43.64,79 10.952,80 0.789,81 1.218,82 27.991,83 8.096,84 60.935,85 11.736,86 0.442,87 1.097,88 25.419,89 8.112,90 35.433,91 11.968,92 0.612,93 0.965,94 24.745,95 6.86,96 52.462,97 10.035,98 0.558,99 0.84,100 20.762,101 5.859,102 42.673,103 8.98,104 30,105 37,106 0.293,107 0.689,108 0.805,109 0.833,110 0.849,111 0.873,112 3.229,113 0.841,114 -2.98,115 -2.98,116 -2.88,119 37.2,124 3,125 1,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 1,158 1,159 1,166 2,169 1,170 7,172 2,173 4,175 3,178 1,181 1,182 7,187 1,189 1,192 1,193 1,196 3,197 3,198 1,200 2,201 1,204 1,206 3,207 1,210 1,212 1,215 2,218 1,221 2,226 1,229 2,234 3,236 1,237 2,239 2,241 1,245 2,246 2,249 2,251 2,259 2,260 2,263 1,265 2,270 1,273 746,274 16.118,275 16.118,276 16.118,277 16.118,278 16.118,279 14.192,280 22.404,281 9.239,282 16.819,283 12.681,284 12.681,285 12.681,286 12.681,287 12.681,288 9.629,289 31.144,290 4.193,291 13.633,292 3.746,293 1.478,294 0.814,295 0.657,296 0.564,297 0.425,298 3.905,300 1,301 1,302 1,303 475,304 3.162,306 50.401,307 140.607,310 94.772,314 1.292,315 23.457,316 1,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 53.5,327 225,328 4.642,329 3.364,330 6.788,331 4.165,332 3.203,333 4.609,334 0.916,335 11.142,336 3.083,337 4.333,338 3.218,339 6.467,340 3.954,341 3.006,342 3.954,343 0.86,344 10.02,345 2.847,346 3.725,347 2.736,348 5.376,349 3.321,350 2.391,351 3.161,352 0.86,353 6.901,354 2.218,355 3.578,356 2.598,357 5.234,358 3.182,359 2.261,360 2.892,361 0.172,362 6.529,363 2.076,364 3.408,365 2.332,366 5.063,367 2.929,368 2.018,369 2.788,371 5.81,372 1.834,373 3.237,374 2.181,375 5.028,376 2.881,377 1.977,378 2.394,380 5.7,381 1.782,382 2.961,383 1.846,384 4.701,385 2.565,386 1.613,387 2.117,389 4.703,390 1.529,391 2.395,392 1.322,393 3.834,394 1.986,395 1.017,396 1.361,398 2.674,399 0.984,400 2.249,401 1.099,402 3.587,403 1.739,404 0.818,405 1.152,407 2.065,408 0.75,409 1.873,410 0.914,411 3.047,412 1.599,413 0.74,414 0.814,415 1.261,416 0.63,417 1.449,418 0.891,419 2.805,420 1.182,421 0.328,422 0.36,423 0.444,424 0.278,425 1.169,426 0.248,427 2.672,428 0.829,429 -0.097,430 -0.115,431 -0.251,432 -0.089,433 0.96,434 -0.018,435 2.551,436 0.515,437 -0.389,438 -0.503,439 -0.871,440 -0.348,441 0.758,442 -0.152,443 2.275,444 0.394,445 -0.511,446 -0.602,448 -1.089,449 -0.455,450 0.618,451 -0.366,452 2.176,453 0.28,454 -0.626,455 -0.72,457 -1.505,458 -0.566,459 11,460 0.458,461 0.644,462 0.027,463 33.25,464 1.385,465 16.5,466 0.688,467 16.75,468 0.698,469 17.2,470 0.717,471 26.8,472 0.623,473 25.033,474 1.043,475 6.945,476 0.289,477 4.583,478 0.191,479 0.203,481 0.4,485 1.052,486 1.529,487 0.801,488 1.193,489 1.088,490 0.969,491 1.11,492 0.785,493 0.761,494 0.679,495 0.638,496 0.65,497 1.018,498 1.4,499 0.961,500 1.23,501 0.868,502 1.1,503 0.739,504 1.196,505 0.99,506 1.296,507 0.711,508 1.225,509 1.111,510 0.845,511 1.22,512 0.974,513 1.275,514 1.1,515 0.86,516 1.064,517 0.979,518 1.137,519 0.624,520 1.097,521 1.206,522 0.812,523 0.988,524 0.844,525 1.162,526 0.872,527 0.743,528 0.999,529 0.807,530 0.974,531 0.765,532 0.919,533 5.5,534 0.091,535 2.889,536 2.285,537 1.618,538 0.973,539 0.423,540 0.372,541 0.28,542 0.178,543 5783,544 17596,545 2.015,546 44.2,548 14,549 1,551 4,555 1.672,556 1.846,557 3.195,558 1.86,559 1,560 1,562 1,564 72.254,565 1.68,566 3.948,567 4.612,568 4.769,569 4.862,570 5.002,571 2.622,572 3.887,573 4.56,574 3.321,575 916.581,576 7.883,577 10602.1,579 1,581 1,582 233.329,583 1.528,584 4.493,585 0.212,586 0.01,587 0.078,588 0.059,589 0.044,590 0.034,591 0.016,592 0.014,593 0.012,594 0.01,595 0.488,596 0.17,597 1,598 0.961,599 112.838,600 -0.156,601 -0.272,602 0.031,603 -0.1,604 -0.205,605 -0.004,606 -0.038,607 0.335,608 0.173,609 0.325,610 0.14,611 0.294,612 -0.116,613 -0.223,614 -0.095,615 -0.164,616 -0.089,617 -0.129,618 0.152,619 -0.121,620 -0.08,621 -0.259,622 0.169,623 -0.238,624 -0.098,625 0.123,626 -0.238,627 -0.008,628 -0.224,629 -0.132,630 -0.05,631 -0.143,632 -0.013,633 -0.117,634 0.032,635 -0.064,636 -0.111,637 0.071,638 0.039,639 0.114,640 -0.111,641 0.11,642 0.242,643 -0.102,644 0.204,645 -0.007,646 0.206,647 0.076,648 1.806,649 4.074,650 0.625,651 17.417,652 1.016,653 1.14,654 1.751,655 3.065,656 0.645,657 3.296,658 3.638,659 3.932,660 4.22,661 4.382,662 4.454,663 4.466,664 4.511,665 4.543,666 4.533,667 5.559,668 0.626,669 329.4,670 3.296,671 4.844,672 5.707,673 6.603,674 7.483,675 8.383,676 9.268,677 10.17,678 11.058,679 11.96,680 11.6,684 1,686 1,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 1,714 1,715 1,716 2,718 43,719 16,720 1,721 26,723 45,724 16,725 12,726 3,727 3,729 3,730 4,741 12,742 4,753 1,754 1,757 19,758 7,759 4,760 8,764 5,769 0.667,770 3,776 1,777 1,780 1,781 2,784 1,802 2,806 3,810 24,811 1,815 1,816 1,818 2,821 1,829 7,831 1,834 2,836 13,837 8.55,838 5.389,839 2.149,840 3.148,841 1.446,842 0.954,843 4.684,844 10.206,845 3.555,846 4.216,847 4.857,848 5.481,849 5.96,850 6.245,851 6.517,852 6.826,853 6.959,854 7.174,855 1,856 39,857 8.789,859 3.65,860 7.847,861 16.435,863 12.91,865 2.347,866 56.333,870 176.567,871 92.361,872 86.378,874 64.683,877 92.361,878 241.25,879 86.378,880 30.162,881 2.106,882 70.373,883 77.97,884 60.912,885 13.67,886 164.795,888 176.567,889 178.739,890 64.683,893 176.567,894 64.683,897 22.506,898 122.662,899 33.571,901 176.567,902 151.061,903 92.361,906 176.567,907 24.722,908 70.763,909 16.786,910 131.151,911 176.567,912 151.061,913 92.361,915 0.582,916 0.357,917 0.2,918 0.105,919 18,920 9,921 0.111,922 5,923 1,924 1.133,925 3.482,926 197.003,927 0.133,928 15,929 110.039,933 16.668,934 6.745,935 3.232,936 1.055,937 134.276,938 7.356,939 7.901,940 3.004,943 3.047,945 92.366,946 419.989,947 34,956 43.676,957 49.026,958 0.31,959 0.728,960 0.85,961 0.879,962 0.896,963 0.922,964 4.796,965 1.017,966 5.714,967 4.703,968 4.317,969 4.902,970 1.698,971 6.561,972 4.187,973 6.031,974 0.818,975 7.299,976 2.674,977 4.007,978 4.856,979 0.325,980 7.538,981 3.827,982 7.362,983 0.74,984 8.982,985 2.065,986 5.948,987 7.201,988 1.422,989 10.648,990 5.718,991 8.732,992 0.328,993 10.72,994 1.261,995 6.431,996 7.976,997 0.393,998 12.449,999 6.159,1000 10.133,1001 -0.097,1002 12.495,1003 0.444,1004 7.868,1005 9.818,1006 1.2,1007 15.09,1008 7.558,1009 11.556,1010 -0.389,1011 14.296,1012 -0.251,1013 8.715,1014 10.981,1015 0.384,1016 17.24,1017 8.367,1018 12.998,1019 -0.511,1020 16.118,1021 -0.871,1022 9.963,1023 12.625,1024 1.01,1025 19.719,1026 9.581,1027 3.203,1028 -0.626,1029 17.955,1030 -1.089,1031 10.976,1032 13.976,1033 0.351,1034 22.012,1035 10.557,1036 3.006,1037 11.142,1038 19.805,1039 -1.505,1040 12.154,1041 15.539,1042 0.845,1043 24.434,1044 11.7,1045 2.391,1046 10.02,1047 21.665,1048 4.609,1049 13.242,1050 16.979,1051 0.312,1052 26.785,1053 12.75,1054 2.261,1055 6.901,1056 23.533,1057 3.954,1058 14.396,1059 18.511,1060 0.702,1061 29.186,1062 13.868,1063 2.018,1064 6.529,1065 25.408,1066 3.161,1067 15.516,1068 19.992,1069 0.273,1070 31.562,1071 14.951,1072 1.977,1073 5.81,1074 27.288,1075 2.892,1076 16.664,1077 21.514,1078 0.579,1079 33.958,1080 16.062,1081 1.613,1082 5.7,1083 29.173,1084 2.788,1085 17.799,1086 23.016,1087 0.236,1088 36.345,1089 17.159,1090 5741,1091 10134,1092 16.819,1093 27.722,1094 38.932,1095 39.434,1096 41.324,1097 38.698,1098 38.745,1099 51.203,1100 5.618,1101 114.498,1102 36.025,1103 5.491,1104 5.364,1105 6.357,1106 5.238,1107 5.203,1108 7.609,1109 1.776,1110 18.08,1111 5.083,1112 13.699,1113 1.497,1114 1.517,1115 1.589,1116 1.488,1117 1.49,1118 1.969,1119 0.216,1120 4.404,1121 1.386,1122 4.111,1123 4.153,1124 4.084,1125 3.971,1126 6.476,1127 3.994,1128 3.922,1129 3.945,1130 3.879,1131 3.82,1132 5.221,1133 3.83,1134 3.488,1135 3.563,1136 3.402,1137 3.256,1138 4.922,1139 3.282,1140 3.342,1141 3.422,1142 3.227,1143 3.064,1144 4.808,1145 3.094,1146 3.294,1147 3.358,1148 3.136,1149 3.003,1150 4.603,1151 3.022,1152 3.138,1153 3.229,1154 2.925,1155 2.865,1156 4.242,1157 2.853,1158 3.014,1159 3.078,1160 2.885,1161 2.701,1162 4.133,1163 2.745,1164 2.842,1165 2.959,1166 2.609,1167 2.642,1168 4.031,1169 2.619,1170 0.179,1171 0.129,1172 0.261,1173 0.16,1174 0.123,1175 4.642,1176 0.177,1177 3.364,1178 0.035,1179 6.788,1180 0.429,1181 4.165,1182 0.119,1183 3.203,1184 4.609,1185 0.916,1186 11.142,1187 3.083,1188 1.897,1189 1.875,1190 1.991,1191 2.032,1192 1.159,1193 2.018,1194 1.801,1195 1.774,1196 1.848,1197 1.983,1198 1.004,1199 1.943,1200 1.564,1201 1.499,1202 1.726,1203 1.778,1204 0.755,1205 1.773,1206 1.282,1207 1.206,1208 1.593,1209 1.58,1210 0.607,1211 1.579,1212 1.225,1213 1.152,1214 1.566,1215 1.546,1216 0.584,1217 1.553,1218 1.126,1219 1.031,1220 1.528,1221 1.424,1222 0.554,1223 1.462,1224 1.027,1225 0.929,1226 1.295,1227 1.366,1228 0.301,1229 1.359,1230 0.82,1231 0.742,1232 1.151,1233 1.149,1234 0.16,1235 1.15,1236 3.97,1238 5.303,1239 2.398,1240 6.834,1241 4.727,1242 8.46,1243 6.843,1244 10.136,1246 5.156,1250 5.553,1251 10.074,1252 0.504,1254 10.696,1257 1.986,1262 26.939,1263 72.254,1264 169.766,1265 198.31,1266 205.065,1267 209.065,1268 215.065,1269 36.227,1270 7.058,1271 109.52,1272 109.52,1273 17,1274 12.483,1275 4.087,1276 3.17,1277 39.161,1278 81,1279 74,1280 0.244,1281 167.536,1282 278.47,1283 400.548,1284 10155,1286 17.267,1287 0.719,1288 0.571,1289 17.267,1290 13.699,1291 11.528,1292 0.443,1293 0.28,1294 7.098,1295 10.819,1296 6.85,1297 5.751,1298 11.528,1299 7.287,1300 10.361,1301 0.28,1302 0.144,1303 10.361,1304 5.337,1305 8.797,1306 0.176,1307 0.076,1308 8.797,1309 3.816,1310 7.668,1311 0.114,1312 0.04,1313 7.668,1314 2.654,1315 5.702,1316 0.072,1317 0.021,1318 5.702,1319 1.663,1320 0.375,1321 74.197,1322 0.244,1323 23.071,1324 0.692,1325 126,1326 414.201,1327 143.13,1328 392.909,1329 537.68,1330 368,1331 150,1332 399.037,1333 167.189,1334 405.783,1335 590.83,1336 376,1337 4.252}
{0 CHEMBL64729,1 1.725,2 10.24,3 1.793,4 3.216,5 94.611,6 7.85,7 0.593,8 3.923,9 4.037,10 3.512,11 3.305,12 5.149,13 3.35,14 4.404,15 4.569,16 3.851,17 3.653,18 5.6,19 3.686,20 4.488,21 4.629,22 3.956,23 3.775,24 5.683,25 3.798,26 4.646,27 4.807,28 3.978,29 3.833,30 5.898,31 3.82,32 4.789,33 5.003,34 3.685,35 3.799,36 5.86,37 3.736,38 4.638,39 4.869,40 3.475,41 3.715,42 5.578,43 3.611,44 4.576,45 4.858,46 3.475,47 3.596,48 5.49,49 3.496,50 4.442,51 4.704,52 3.51,53 3.426,54 5.452,55 3.394,56 0.177,57 0.653,58 8.881,59 3.312,60 14.331,61 4.295,62 0.551,63 0.943,64 17.253,65 5.463,66 38.629,67 7.052,68 0.51,69 1.074,70 17.05,71 5.763,72 26.607,73 7.824,74 0.663,75 1.146,76 20.863,77 7.339,78 46.343,79 9.965,80 1.021,81 1.128,82 28.563,83 7.504,84 76.415,85 10.33,86 0.635,87 1.017,88 23.938,89 7.224,90 44.468,91 10.397,92 0.502,93 0.917,94 24.065,95 6.987,96 42.017,97 10.903,98 0.565,99 0.77,100 21.2,101 5.476,102 43.543,103 8.436,104 35,105 38,106 0.3,107 0.676,108 0.759,109 0.77,110 0.781,111 0.813,112 3.267,113 0.826,114 -2.24,115 -2.28,116 -2.25,119 36.4,124 3,125 1,139 2,140 2,141 4,144 1,147 1,148 1,155 1,157 1,158 1,159 1,166 1,169 1,170 4,172 2,173 4,175 6,178 1,181 2,182 4,187 2,192 1,193 2,196 4,197 4,198 1,200 2,201 2,204 1,210 3,211 1,212 1,215 2,218 1,221 2,226 2,234 7,238 1,239 2,240 1,246 1,249 2,259 4,263 3,265 2,270 2,273 823,274 16.989,275 16.989,276 16.989,277 16.989,278 16.989,279 15.037,280 25.183,281 9.751,282 17.808,283 13.119,284 13.119,285 13.119,286 13.119,287 13.119,288 9.934,289 37.262,290 4.322,291 14.166,292 3.735,293 1.57,294 1.092,295 1.029,296 0.967,297 0.779,298 3.945,300 1,301 1,302 1,303 539,304 3.082,306 55.623,307 150.606,310 104.171,314 1.37,315 28.159,317 1,318 1,319 0.83,320 1,321 0.8,323 1,324 1,325 0.8,326 56.5,327 256,328 4.638,329 3.375,330 6.78,331 4.152,332 3.189,333 4.608,334 0.86,335 11.108,336 3.073,337 4.419,338 3.293,339 6.523,340 4.003,341 3.059,342 4.104,343 0.86,344 10.257,345 2.879,346 3.72,347 2.628,348 5.358,349 3.312,350 2.378,351 3.159,352 0.86,353 6.893,354 2.216,355 3.554,356 2.555,357 5.241,358 3.162,359 2.223,360 2.876,361 0.657,362 6.553,363 2.08,364 3.405,365 2.403,366 5.19,367 2.972,368 2.061,369 2.785,371 6.118,372 1.867,373 3.355,374 2.182,375 5.063,376 2.884,377 1.98,378 2.604,380 5.79,381 1.785,382 3.047,383 1.992,384 4.756,385 2.664,386 1.714,387 2.221,389 4.964,390 1.623,391 2.314,392 1.881,393 3.809,394 1.998,395 1.167,396 1.253,398 2.511,399 0.965,400 2.217,401 1.073,402 3.589,403 1.779,404 0.859,405 1.18,407 2.102,408 0.788,409 1.782,410 0.918,411 3.193,412 1.518,413 0.605,414 0.693,415 1.388,416 0.549,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.396,426 0.795,427 2.687,428 1.145,429 0.301,430 0.323,431 0.39,432 0.252,433 1.114,434 0.178,435 2.527,436 0.701,437 -0.212,438 -0.262,439 -0.507,440 -0.192,441 0.916,442 -0.026,443 2.469,444 0.508,445 -0.396,446 -0.494,448 -0.862,449 -0.353,450 0.743,451 -0.218,452 2.294,453 0.364,454 -0.532,455 -0.631,457 -1.228,458 -0.473,459 11.333,460 0.453,461 0.606,462 0.024,463 34.5,464 1.38,465 17,466 0.68,467 17.5,468 0.7,469 17.775,470 0.711,471 28.267,472 0.642,473 26.336,474 1.053,475 7.28,476 0.291,477 4.786,478 0.191,479 0.197,481 0.397,485 1.068,486 1.489,487 0.791,488 1.2,489 1.092,490 0.951,491 1.191,492 0.822,493 0.772,494 0.714,495 0.751,496 0.658,497 0.919,498 1.397,499 0.871,500 1.193,501 0.858,502 1.032,503 0.715,504 1.277,505 0.958,506 1.403,507 0.687,508 1.28,509 1.498,510 0.798,511 1.378,512 0.898,513 1.47,514 1.088,515 1.08,516 1.032,517 1.236,518 1.12,519 0.91,520 1.21,521 0.605,522 0.878,523 0.721,524 0.92,525 0.535,526 0.857,527 0.898,528 0.791,529 0.676,530 0.741,531 0.953,532 0.66,533 5.5,534 0.144,535 2.889,536 2.472,537 1.854,538 0.67,539 0.416,540 0.255,541 0.368,542 0.272,543 6746,544 21681,545 2.015,546 43.2,548 13,549 1,551 5,555 1.68,556 1.852,557 3.298,558 2.686,559 1,560 1,562 1,564 75.895,565 1.725,566 3.89,567 4.368,568 4.43,569 4.493,570 4.681,571 2.679,572 4.134,573 4.62,574 3.447,575 1034.21,576 7.985,577 12567.7,579 1,581 1,582 240.215,583 1.516,584 4.555,585 0.204,586 0.008,587 0.076,588 0.06,589 0.048,590 0.024,591 0.018,592 0.011,593 0.015,594 0.011,595 0.475,596 0.17,597 1,598 1.017,599 120.476,600 -0.183,601 -0.221,602 0.021,603 -0.093,604 -0.216,605 0.011,606 -0.099,607 0.277,608 0.158,609 0.309,610 0.074,611 0.29,612 0.019,613 -0.214,614 -0.01,615 -0.127,616 -0.043,617 -0.072,618 0.233,619 -0.17,620 -0.063,621 -0.353,622 0.243,623 -0.307,624 -0.304,625 0.138,626 -0.365,627 0.042,628 -0.321,629 -0.152,630 -0.205,631 -0.084,632 -0.272,633 -0.108,634 -0.203,635 -0.195,636 0.086,637 -0.01,638 0.282,639 0.074,640 0.169,641 0.21,642 0.057,643 0.065,644 0.368,645 0.208,646 0.038,647 0.352,648 1.828,649 4.016,650 0.6,651 19.59,652 1.023,653 1.142,654 1.012,655 1.023,656 0.64,657 3.332,658 3.664,659 3.97,660 4.263,661 4.394,662 4.431,663 4.454,664 4.511,665 4.585,666 4.663,667 6.043,668 0.628,669 345.4,670 3.332,671 4.875,672 5.74,673 6.635,674 7.514,675 8.412,676 9.295,677 10.193,678 11.078,679 11.976,680 11.4,684 1,685 1,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 1,712 1,715 1,716 3,718 44,719 16,720 1,721 27,723 46,724 16,725 12,726 4,727 2,729 3,730 4,741 12,742 4,753 1,754 1,757 19,758 8,759 5,760 9,764 5,769 0.667,770 4,776 1,777 1,780 1,781 2,784 1,802 2,806 3,810 25,811 1,815 1,816 1,817 1,818 3,829 9.1,831 1,834 3,836 13.5,837 8.683,838 5.722,839 2.146,840 3.141,841 1.438,842 0.949,843 5.171,844 10.312,845 3.584,846 4.245,847 4.895,848 5.521,849 5.982,850 6.261,851 6.515,852 6.818,853 6.965,854 7.25,855 0.857,856 41,857 9.148,859 3.793,860 7.9,861 16.962,863 13.183,865 2.4,866 60,870 164.795,871 90.615,872 101.265,874 75.683,877 90.615,878 240.478,879 101.265,880 32.649,881 2.106,882 60.897,883 95.98,884 74.031,885 13.67,886 153.024,888 164.795,889 191.879,890 75.683,893 164.795,894 75.683,897 22.506,898 117.792,899 51.582,901 164.795,902 176.948,903 90.615,906 164.795,907 29.966,908 60.649,909 34.796,910 142.151,911 164.795,912 176.948,913 90.615,915 0.575,916 0.362,917 0.211,918 0.106,919 18,920 9,921 0.13,922 6,923 1,924 1.133,925 3.598,926 205.35,927 0.133,928 15,929 108.096,933 17.597,934 7.346,935 3.438,936 1.001,937 160.162,938 5.332,939 7.841,940 2.969,943 3.01,945 110.377,946 432.358,947 35,956 45.003,957 50.236,958 0.316,959 0.712,960 0.8,961 0.811,962 0.823,963 0.857,964 4.82,965 1.167,966 5.74,967 4.964,968 4.344,969 4.931,970 1.841,971 6.589,972 4.205,973 6.054,974 0.859,975 7.324,976 2.511,977 4.007,978 4.913,980 7.576,981 3.836,982 7.39,983 0.605,984 9.007,985 2.102,986 5.974,987 7.247,988 1.538,989 10.683,990 5.737,991 8.766,992 0.396,993 10.746,994 1.388,995 6.447,996 8.047,998 12.494,999 6.177,1000 10.173,1001 0.301,1002 12.523,1003 0.603,1004 7.894,1005 9.877,1006 1.278,1007 15.13,1008 7.576,1009 11.602,1010 -0.212,1011 14.326,1012 0.39,1013 8.74,1014 11.058,1016 17.286,1017 8.385,1018 13.049,1019 -0.396,1020 16.148,1021 -0.507,1022 9.992,1023 12.693,1024 1.053,1025 19.763,1026 9.597,1027 3.189,1028 -0.532,1029 17.986,1030 -0.862,1031 11.007,1032 14.053,1034 22.058,1035 10.573,1036 3.059,1037 11.108,1038 19.837,1039 -1.228,1040 12.188,1041 15.612,1042 0.858,1043 24.478,1044 11.714,1045 2.378,1046 10.257,1047 21.698,1048 4.608,1049 13.277,1050 17.054,1052 26.829,1053 12.763,1054 2.223,1055 6.893,1056 23.567,1057 4.104,1058 14.432,1059 18.582,1060 0.691,1061 29.228,1062 13.88,1063 2.061,1064 6.553,1065 25.442,1066 3.159,1067 15.553,1068 20.062,1070 31.601,1071 14.96,1072 1.98,1073 6.118,1074 27.323,1075 2.876,1076 16.7,1077 21.581,1078 0.549,1079 33.994,1080 16.069,1081 1.714,1082 5.79,1083 29.208,1084 2.785,1085 17.835,1086 23.079,1088 36.378,1089 17.164,1090 6688,1091 12107,1092 17.512,1093 28.176,1094 39.734,1095 41.001,1096 42.795,1097 39.758,1098 39.866,1099 52.518,1100 6.475,1101 117.353,1102 36.836,1103 5.48,1104 5.375,1105 6.323,1106 5.225,1107 5.189,1108 7.608,1109 1.72,1110 18.028,1111 5.073,1112 14.412,1113 1.472,1114 1.519,1115 1.585,1116 1.473,1117 1.477,1118 1.945,1119 0.24,1120 4.346,1121 1.364,1122 4.108,1123 4.151,1124 4.082,1125 3.968,1126 6.476,1127 3.991,1128 3.927,1129 3.94,1130 3.893,1131 3.816,1132 5.221,1133 3.832,1134 3.463,1135 3.537,1136 3.39,1137 3.217,1138 4.98,1139 3.252,1140 3.303,1141 3.373,1142 3.183,1143 3.016,1144 4.812,1145 3.046,1146 3.298,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.208,1153 3.287,1154 2.988,1155 2.897,1156 4.471,1157 2.899,1158 3.076,1159 3.169,1160 2.935,1161 2.809,1162 4.323,1163 2.817,1164 2.981,1165 3.053,1166 2.806,1167 2.659,1168 4.133,1169 2.699,1170 0.172,1171 0.125,1172 0.251,1173 0.154,1174 0.118,1175 4.638,1176 0.171,1177 3.375,1178 0.032,1179 6.78,1180 0.411,1181 4.152,1182 0.114,1183 3.189,1184 4.608,1185 0.86,1186 11.108,1187 3.073,1188 1.884,1189 1.868,1190 1.964,1191 2.025,1192 1.121,1193 2.004,1194 1.8,1195 1.774,1196 1.841,1197 1.984,1198 1.004,1199 1.942,1200 1.55,1201 1.488,1202 1.704,1203 1.77,1204 0.722,1205 1.76,1206 1.227,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.217,1213 1.149,1214 1.571,1215 1.531,1216 0.574,1217 1.538,1218 1.161,1219 1.073,1220 1.538,1221 1.494,1222 0.56,1223 1.507,1224 1.064,1225 0.965,1226 1.331,1227 1.391,1228 0.355,1229 1.392,1230 0.912,1231 0.819,1232 1.193,1233 1.251,1234 0.09,1235 1.242,1236 4.007,1238 5.333,1239 2.398,1240 6.862,1241 4.727,1242 8.491,1243 6.843,1244 10.173,1246 4.662,1250 5.533,1251 10.016,1252 0.416,1253 3.248,1254 15.972,1262 27.654,1263 75.895,1264 171.142,1265 192.176,1266 194.931,1267 197.686,1268 205.95,1269 40.114,1270 7.17,1271 127.54,1272 127.54,1273 17,1274 12.502,1275 4.087,1276 3.17,1277 41.836,1278 93,1279 81,1280 0.227,1281 171.532,1282 287.26,1283 410.299,1284 11816,1286 17.974,1287 0.719,1288 0.563,1289 17.974,1290 14.083,1291 12.066,1292 0.447,1293 0.275,1294 7.215,1295 11.248,1296 6.991,1297 5.862,1298 12.066,1299 7.433,1300 10.552,1301 0.278,1302 0.137,1303 10.552,1304 5.211,1305 9.082,1306 0.175,1307 0.072,1308 9.082,1309 3.759,1310 8.122,1311 0.116,1312 0.037,1313 8.122,1314 2.613,1315 6.009,1316 0.075,1317 0.02,1318 6.009,1319 1.631,1320 0.354,1321 78.335,1322 0.239,1323 24.119,1324 0.623,1325 130,1326 458.624,1327 149.648,1328 428.339,1329 583.57,1330 402,1331 155,1332 428.808,1333 175.009,1334 433.893,1335 633.55,1336 402,1337 4.658}
{0 CHEMBL64785,1 1.711,2 9.522,3 1.81,4 3.275,5 88.148,6 7.884,7 0.64,8 3.829,9 3.948,10 3.423,11 3.242,12 5.054,13 3.279,14 4.299,15 4.463,16 3.766,17 3.597,18 5.517,19 3.617,20 4.411,21 4.573,22 3.788,23 3.695,24 5.55,25 3.696,26 4.521,27 4.707,28 3.79,29 3.706,30 5.756,31 3.663,32 4.6,33 4.848,34 3.51,35 3.62,36 5.642,37 3.545,38 4.406,39 4.625,40 3.349,41 3.519,42 5.391,43 3.444,44 4.315,45 4.56,46 3.378,47 3.454,48 5.318,49 3.373,50 4.329,51 4.595,52 3.385,53 3.306,54 5.354,55 3.272,56 0.146,57 0.613,58 7.95,59 2.98,60 13.463,61 3.85,62 0.429,63 0.897,64 14.86,65 5.04,66 32.698,67 6.513,68 0.33,69 1.007,70 15.904,71 5.34,72 22.956,73 7.252,74 0.572,75 1.035,76 18.644,77 6.547,78 43.424,79 9.244,80 0.687,81 0.976,82 23.866,83 6.328,84 61.998,85 9.246,86 0.514,87 0.835,88 18.726,89 5.541,90 37.42,91 7.643,92 0.281,93 0.785,94 16.861,95 5.694,96 27.195,97 8.398,98 0.499,99 0.698,100 19.07,101 4.877,102 40.446,103 7.461,104 21,105 35,106 0.303,107 0.709,108 0.8,109 0.812,110 0.812,111 0.812,112 3.188,113 0.828,114 -2.73,115 -2.75,116 -2.67,119 37.5,124 2,125 1,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 1,158 1,159 1,166 1,169 1,170 6,172 2,173 4,175 6,178 3,182 2,187 2,192 1,193 2,196 4,197 4,198 2,200 2,201 2,204 1,210 2,211 1,212 1,215 2,218 1,221 2,226 2,229 1,234 6,238 1,239 2,240 1,241 1,249 2,251 1,259 4,260 2,263 2,265 3,270 2,273 665,274 15.566,275 15.566,276 15.566,277 15.566,278 15.566,279 13.643,280 23.658,281 9.035,282 16.233,283 12.226,284 12.226,285 12.226,286 12.226,287 12.226,288 9.143,289 36.399,290 4.15,291 13.116,292 3.611,293 1.319,294 0.807,295 0.738,296 0.738,297 0.738,298 3.867,300 1,301 1,302 1,303 464,304 2.828,306 48.715,307 134.242,310 91.459,314 1.369,315 24.015,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51.5,327 219,328 4.638,329 3.297,330 6.78,331 4.151,332 3.188,333 4.608,334 0.86,335 11.108,336 3.072,337 4.197,338 3.066,339 5.786,340 3.775,341 2.818,342 3.84,343 0.86,344 8.311,345 2.692,346 3.711,347 2.584,348 5.313,349 3.276,350 2.348,351 3.156,352 0.657,353 6.72,354 2.176,355 3.412,356 2.555,357 5.063,358 3.015,359 2.081,360 2.79,362 5.957,363 1.939,364 3.367,365 2.324,366 5,367 2.972,368 2.061,369 2.619,371 5.818,372 1.867,373 3.355,374 2.182,375 4.969,376 2.883,377 1.979,378 2.604,380 5.788,381 1.784,382 3.036,383 1.907,384 4.745,385 2.647,386 1.694,387 2.211,389 4.935,390 1.608,391 2.305,392 1.136,393 3.589,394 1.787,395 0.861,396 1.222,398 2.12,399 0.794,400 1.8,401 0.922,402 3.243,403 1.523,404 0.605,405 0.698,407 1.47,408 0.552,409 1.592,410 0.916,411 2.842,412 1.32,413 0.459,414 0.51,415 0.676,416 0.393,417 1.576,418 0.786,419 2.781,420 1.27,421 0.396,422 0.452,423 0.602,424 0.342,425 1.117,426 0.038,427 2.687,428 0.694,429 -0.225,430 -0.284,431 -0.607,432 -0.205,433 0.905,434 -0.194,435 2.515,436 0.472,437 -0.444,438 -0.566,439 -1.167,440 -0.403,441 0.702,442 -0.339,443 2.179,444 0.317,445 -0.609,446 -0.746,448 -1.568,449 -0.565,450 0.65,451 -0.385,452 2,453 0.24,454 -0.694,455 -0.878,457 -1.599,458 -0.637,459 10.5,460 0.457,461 0.571,462 0.025,463 32.5,464 1.413,465 16.5,466 0.717,467 16,468 0.696,469 15.072,470 0.655,471 25.5,472 0.638,473 23.372,474 1.016,475 6.765,476 0.294,477 4.335,478 0.188,479 0.165,481 0.381,485 1.083,486 1.417,487 0.794,488 1.107,489 1.111,490 0.902,491 1.069,492 0.877,493 0.775,494 0.796,495 0.644,496 0.74,497 1.121,498 1.373,499 0.997,500 1.184,501 0.963,502 1.073,503 0.496,504 1.222,505 0.949,506 1.366,507 0.647,508 1.292,509 1.202,510 0.769,511 1.157,512 0.852,513 1.34,514 0.97,515 1.361,516 0.915,517 1.278,518 0.97,519 1.032,520 1.092,521 0.582,522 1.08,523 0.786,524 1.156,525 0.556,526 1.042,527 0.992,528 0.744,529 0.7,530 0.68,531 1.023,532 0.627,533 5.5,534 0.099,535 2,536 2.16,537 1.463,538 0.552,539 0.376,540 0.2,541 0.317,542 0.188,543 5508,544 17259,545 2.041,546 42.5,548 11,549 1,551 5,555 1.656,556 1.89,557 3.228,558 2.761,559 1,560 1,562 1,564 68.422,565 1.711,566 4.003,567 4.515,568 4.584,569 4.584,570 4.584,571 2.666,572 4.089,573 4.499,574 3.374,575 853.684,576 7.74,577 9783.11,578 1,579 1,581 1,582 212.877,583 1.478,584 4.443,585 0.22,586 0.009,587 0.057,588 0.062,589 0.046,590 0.023,591 0.018,592 0.009,593 0.014,594 0.01,595 0.468,596 0.17,597 1,598 0.942,599 107.701,600 -0.194,601 -0.172,602 0.012,603 -0.034,604 -0.234,605 0.037,606 -0.029,607 0.238,608 0.128,609 0.226,610 0.137,611 0.205,612 -0.211,613 -0.239,614 -0.129,615 -0.153,616 -0.168,617 -0.122,618 0.371,619 -0.156,620 -0.046,621 -0.347,622 0.276,623 -0.316,624 -0.169,625 0.149,626 -0.137,627 0.081,628 -0.192,629 -0.004,630 -0.316,631 0.034,632 -0.299,633 0.021,634 -0.261,635 -0.112,636 0.095,637 -0.143,638 0.169,639 -0.117,640 0.157,641 0.02,642 0.054,643 0.091,644 0.371,645 0.259,646 0.011,647 0.378,648 1.811,649 3.964,650 0.652,651 17.119,652 1.02,653 1.14,654 1.501,655 2.254,656 0.649,657 3.258,658 3.584,659 3.85,660 4.143,661 4.29,662 4.331,663 4.357,664 4.394,665 4.454,666 4.5,667 5.75,668 0.635,669 315.37,670 3.258,671 4.796,672 5.645,673 6.532,674 7.398,675 8.29,676 9.161,677 10.055,678 10.93,679 11.824,680 12.5,684 1,685 1,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 1,712 1,715 1,716 2,718 40,719 16,720 1,721 25,723 42,724 15,725 12,726 3,727 3,729 3,730 4,741 12,742 3,753 1,754 1,757 17,758 7,759 5,760 8,764 5,769 0.667,770 3,776 1,777 1,780 1,781 2,784 1,802 2,806 2,810 23,811 1,815 1,816 1,817 1,818 2,829 7.5,831 1,834 2,836 12.167,837 7.6,838 5.167,839 1.979,840 3.14,841 1.448,842 0.964,843 4.449,844 10.146,845 3.526,846 4.186,847 4.813,848 5.449,849 5.912,850 6.184,851 6.448,852 6.753,853 6.886,854 7.135,855 1,856 35,857 8.412,859 3.507,860 7.884,861 15.653,863 12.286,865 2.384,866 54.833,870 141.253,871 83.965,872 101.265,874 64.683,877 83.965,878 205.936,879 101.265,880 21.766,881 2.106,882 70.373,883 95.98,884 57.787,885 13.67,886 129.482,888 141.253,889 185.229,890 64.683,893 141.253,894 64.683,897 22.506,898 111.142,899 51.582,901 141.253,902 165.948,903 83.965,906 141.253,907 24.722,908 59.242,909 34.796,910 131.151,911 141.253,912 165.948,913 83.965,915 0.577,916 0.345,917 0.195,918 0.103,919 17,920 8,921 0.119,922 5,923 1,924 1.133,925 3.492,926 181.279,927 0.133,928 15,929 96.042,933 15.704,934 6.516,935 3.277,936 1.039,937 149.162,938 7.25,939 7.829,940 2.971,943 2.891,945 110.377,946 391.165,947 33,956 40.793,957 45.611,958 0.321,959 0.752,960 0.848,961 0.861,962 0.861,963 0.861,964 4.754,965 0.861,966 5.638,967 4.935,968 4.263,969 4.871,970 1.573,971 6.454,972 4.136,973 5.984,974 0.605,975 7.198,976 2.12,977 3.892,978 4.808,980 7.349,981 3.727,982 7.309,983 0.459,984 8.852,985 1.47,986 5.861,987 7.17,988 1.27,989 10.447,990 5.642,991 8.672,992 0.396,993 10.561,994 0.676,995 6.275,996 7.919,998 12.188,999 6.026,1000 10.064,1001 -0.225,1002 12.307,1003 0.602,1004 7.731,1005 9.776,1006 1.022,1007 14.824,1008 7.443,1009 11.479,1010 -0.444,1011 14.081,1012 -0.607,1013 8.525,1014 10.924,1016 16.954,1017 8.21,1018 12.913,1019 -0.609,1020 15.877,1021 -1.167,1022 9.781,1023 12.576,1024 0.818,1025 19.434,1026 9.432,1027 3.188,1028 -0.694,1029 17.693,1030 -1.568,1031 10.762,1032 13.922,1034 21.73,1035 10.384,1036 2.818,1037 11.108,1038 19.525,1039 -1.599,1040 11.941,1041 15.491,1042 0.65,1043 24.158,1044 11.53,1045 2.348,1046 8.311,1047 21.371,1048 4.608,1049 13.01,1050 16.93,1052 26.52,1053 12.567,1054 2.081,1055 6.72,1056 23.228,1057 3.84,1058 14.163,1059 18.467,1060 0.511,1061 28.932,1062 13.687,1063 2.061,1064 5.957,1065 25.096,1066 3.156,1067 15.273,1068 19.95,1070 31.32,1071 14.763,1072 1.979,1073 5.818,1074 26.972,1075 2.79,1076 16.418,1077 21.476,1078 0.399,1079 33.727,1080 15.874,1081 1.694,1082 5.788,1083 28.855,1084 2.619,1085 17.548,1086 22.98,1088 36.127,1089 16.969,1090 5430,1091 9727,1092 16.414,1093 25.96,1094 36.936,1095 37.913,1096 38.659,1097 36.91,1098 36.985,1099 49.42,1100 4.755,1101 107.008,1102 34.439,1103 5.479,1104 5.297,1105 6.333,1106 5.224,1107 5.188,1108 7.608,1109 1.72,1110 17.998,1111 5.072,1112 12.22,1113 1.477,1114 1.517,1115 1.546,1116 1.476,1117 1.479,1118 1.977,1119 0.19,1120 4.28,1121 1.378,1122 4.108,1123 4.151,1124 4.081,1125 3.968,1126 6.476,1127 3.991,1128 3.914,1129 3.935,1130 3.869,1131 3.814,1132 5.221,1133 3.824,1134 3.457,1135 3.533,1136 3.383,1137 3.214,1138 4.933,1139 3.248,1140 3.303,1141 3.355,1142 3.144,1143 3.006,1144 4.809,1145 3.026,1146 3.264,1147 3.348,1148 3.138,1149 2.979,1150 4.58,1151 3.006,1152 3.095,1153 3.191,1154 2.936,1155 2.826,1156 4.323,1157 2.826,1158 2.99,1159 3.057,1160 2.826,1161 2.673,1162 4.135,1163 2.714,1164 2.718,1165 2.798,1166 2.547,1167 2.562,1168 3.905,1169 2.539,1170 0.186,1171 0.132,1172 0.271,1173 0.166,1174 0.128,1175 4.638,1176 0.184,1177 3.297,1178 0.034,1179 6.78,1180 0.444,1181 4.151,1182 0.123,1183 3.188,1184 4.608,1185 0.86,1186 11.108,1187 3.072,1188 1.888,1189 1.867,1190 1.98,1191 2.022,1192 1.12,1193 2.007,1194 1.801,1195 1.774,1196 1.844,1197 1.982,1198 1.004,1199 1.942,1200 1.55,1201 1.486,1202 1.704,1203 1.766,1204 0.722,1205 1.758,1206 1.227,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.184,1213 1.106,1214 1.542,1215 1.504,1216 0.561,1217 1.507,1218 1.075,1219 0.975,1220 1.342,1221 1.401,1222 0.365,1223 1.404,1224 0.943,1225 0.854,1226 1.208,1227 1.271,1228 0.107,1229 1.261,1230 0.727,1231 0.661,1232 1.004,1233 1.001,1234 0.09,1235 0.984,1236 3.932,1238 5.252,1239 2.398,1240 6.765,1241 4.727,1242 8.373,1243 6.843,1244 10.032,1246 3.19,1250 5.517,1251 9.964,1252 0.456,1253 3.253,1254 10.474,1262 25.412,1263 68.422,1264 160.122,1265 180.612,1266 183.367,1267 183.367,1268 183.367,1269 32.917,1270 7.006,1271 118.31,1272 118.31,1273 17,1274 12.354,1275 4.087,1276 3.17,1277 36.902,1278 81,1279 68,1280 0.229,1281 157.944,1282 261.17,1283 377.143,1284 9760,1286 16.397,1287 0.713,1288 0.554,1289 16.397,1290 12.752,1291 11.101,1292 0.444,1293 0.276,1294 6.722,1295 10.423,1296 6.54,1297 5.467,1298 11.101,1299 6.898,1300 9.928,1301 0.284,1302 0.14,1303 9.928,1304 4.898,1305 8.234,1306 0.179,1307 0.075,1308 8.234,1309 3.446,1310 7.199,1311 0.116,1312 0.038,1313 7.199,1314 2.34,1315 5.453,1316 0.076,1317 0.021,1318 5.453,1319 1.478,1320 0.358,1321 71.427,1322 0.247,1323 22.493,1324 0.63,1325 120,1326 402.889,1327 136.769,1328 382.213,1329 521.94,1330 358,1331 141,1332 386.262,1333 156.802,1334 391.421,1335 568.27,1336 364,1337 4.699}
{0 CHEMBL6549,1 1.739,2 5.154,3 1.704,4 2.902,5 56.084,6 11.955,7 0.786,8 3.15,9 3.283,10 3.104,11 2.746,12 4.429,13 2.736,14 3.543,15 3.687,16 3.563,17 3.119,18 4.874,19 3.076,20 3.717,21 3.887,22 3.571,23 3.189,24 4.936,25 3.121,26 3.628,27 3.819,28 3.415,29 3,30 4.917,31 2.901,32 3.514,33 3.759,34 3.459,35 2.675,36 4.762,37 2.554,38 3.12,39 3.435,40 2.388,41 2.205,42 3.966,43 1.896,44 2.258,45 2.604,46 2.194,47 1.312,48 3.06,49 1.072,50 1.165,51 1.262,52 0.751,53 0.841,54 1.872,55 0.518,56 0.071,57 0.338,58 0.667,59 1.345,60 10.29,61 1.33,62 0.128,63 0.493,64 1.876,65 2.529,66 13.251,67 2.952,68 0.158,69 0.546,70 12.331,71 3.26,72 14.515,73 3.117,74 0.152,75 0.479,76 6.789,77 3.003,78 18.34,79 3.192,80 0.209,81 0.372,82 6.849,83 2.356,84 23.035,85 2.45,86 0.132,87 0.195,88 17.63,89 2.796,90 15.964,91 3.15,92 0.061,93 0.066,94 5.959,95 1.1,96 7.107,97 1.476,98 0.024,99 0.012,100 10.311,101 0.72,102 1.53,103 0.516,104 10,105 20,106 0.368,107 0.687,108 0.779,109 0.872,110 0.872,111 0.872,112 2.671,113 0.952,114 -3.76,115 -3.72,116 -3.54,117 1,119 40,139 3,140 1,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 3,172 3,173 3,175 1,178 4,180 1,182 3,187 1,189 4,191 1,193 1,195 1,196 1,197 1,198 3,200 2,204 3,205 1,207 3,212 4,218 4,239 1,243 1,273 114,274 8.447,275 8.447,276 8.447,277 8.447,278 8.447,279 7.058,280 7.969,281 4.892,282 8.79,283 6.905,284 6.905,285 6.905,286 6.905,287 6.905,288 4.86,289 8.176,290 2.34,291 7.528,292 2.583,293 1.075,294 0.638,295 0.2,296 0.2,297 0.2,298 3.303,301 1,302 1,303 139,304 1.581,307 51.529,311 44.341,314 0.828,315 11.251,318 1,319 0.83,320 1,321 0.4,323 1,324 1,325 0.75,326 27.75,327 67,328 4.537,329 3.154,330 6.498,331 4.034,332 3.072,333 4.489,335 10.153,336 2.953,337 3.72,338 2.742,339 5.115,340 3.209,341 2.326,342 3.193,344 6.29,345 2.031,346 3.427,347 2.19,348 5.058,349 2.955,350 2.024,351 2.811,353 5.796,354 1.888,355 3.331,356 2.045,357 4.86,358 2.814,359 1.919,360 2.651,362 5.449,363 1.602,364 2.451,365 1.059,366 3.708,367 1.98,368 1.006,369 1.431,371 2.565,372 0.976,373 1.485,374 0.526,375 2.746,376 0.996,377 0.132,378 0.171,380 0.313,381 0.095,382 0.978,383 -0.229,384 2.55,385 0.482,386 -0.434,387 -0.564,389 -1.129,390 -0.358,391 0.652,392 -0.317,393 2.339,394 0.164,395 -0.675,396 -0.814,398 -1.644,399 -0.458,400 0.472,401 -0.729,402 1.753,403 0.131,404 -0.816,405 -1.108,407 -2.308,408 -0.785,409 0.011,410 -1.05,411 1.462,412 -0.515,413 -1.276,414 -1.684,415 -3.257,416 -1.028,417 -0.225,418 -1.402,419 1.139,420 -0.609,421 -1.517,422 -2.02,423 -4.205,424 -1.395,425 -0.339,426 -1.707,427 1.078,428 -0.869,429 -1.761,430 -2.555,431 -5.152,432 -1.648,433 -0.5,434 -2,435 1,436 -1,437 -2,438 -3,439 -5.976,440 -1.873,441 -0.5,442 -2,443 0.695,444 -1.072,445 -2,446 -3,448 -6.894,449 -2,459 6.933,460 0.533,461 0.421,462 0.032,463 19.5,464 1.5,465 11,466 0.846,467 8.5,468 0.654,469 7.604,470 0.585,471 12.867,472 0.643,473 9.979,474 0.768,475 3.628,476 0.279,477 2.536,478 0.195,479 0.308,481 0.361,485 1.179,486 1.05,487 0.469,488 0.505,489 1.479,490 0.57,491 0.393,492 0.801,493 0.567,494 0.654,495 0.335,496 0.717,497 1.33,498 1.164,499 1.095,500 1.008,501 1.027,502 0.979,503 0.98,504 1.225,505 0.891,506 1.08,507 0.909,508 1.209,509 1.184,510 1.12,511 0.89,512 1.111,513 1.5,514 1.175,515 1.087,516 0.637,517 1.457,518 1.196,519 1.198,520 1.159,521 0.049,522 0.532,523 0.884,524 0.848,525 0.144,526 0.598,527 3.388,528 0.831,529 10.805,530 6.997,531 1.622,532 4.138,533 3.5,535 1.556,536 1.063,537 1.058,538 0.174,539 0.121,543 936,544 3681,545 1.992,546 35,548 3,551 4,555 1.49,556 1.814,557 2.443,558 2.492,562 1,564 34.787,565 1.739,566 3.246,567 3.684,568 4.122,569 4.122,570 4.122,571 1.884,572 3.547,573 3.678,574 2.442,575 190.506,576 6.113,577 1381.47,579 1,582 86.439,583 1.549,584 3.601,585 0.25,587 0.078,588 0.056,589 0.076,590 0.022,591 0.06,595 0.541,596 0.5,597 1,598 0.773,599 45.931,600 -0.364,601 0.089,602 -0.015,603 0.161,604 -0.533,605 0.148,606 0.395,607 0.277,608 0.03,609 0.107,610 0.371,611 0.092,612 -0.398,613 -0.142,614 -0.146,615 -0.098,616 -0.244,617 -0.123,618 -0.044,619 -0.247,620 -0.074,621 -0.215,622 0.077,623 -0.33,624 -0.046,625 -0.209,626 0.067,627 -0.167,628 -0.228,629 -0.215,630 -0.091,631 0.029,632 -0.103,633 0.066,634 -0.146,635 0.144,636 0.922,637 0.001,638 0.348,639 0.44,640 0.881,641 0.881,642 -1.605,643 -0.436,644 -2.718,645 -2.899,646 -0.853,647 -2.14,648 1.465,649 1.674,650 0.769,651 4.982,652 1.02,653 1.133,654 2.528,655 6.393,656 0.745,657 2.708,658 3.045,659 3.258,660 3.526,661 3.738,662 3.611,663 3.497,664 3.258,665 3.219,666 2.197,667 3.223,668 0.708,669 239.09,670 2.708,671 4.234,672 5.069,673 5.953,674 6.81,675 7.695,676 8.56,677 9.442,678 10.311,679 11.192,680 20,684 2,690 2,694 2,695 3,696 2,700 3,702 11,711 2,717 1,718 20,719 11,720 1,721 14,722 1,723 21,724 8,725 8,726 3,727 3,729 2,730 3,741 8,757 7,758 4,759 4,760 5,761 1,764 4,769 0.5,776 1,781 2,785 1,802 1,805 1,810 13,811 2,828 1,836 7.167,837 3.46,838 2.806,839 0.972,840 2.378,841 1.424,842 1.035,843 1.998,844 7.984,845 3.02,846 3.726,847 4.35,848 5,849 5.608,850 5.829,851 6.09,852 6.306,853 6.612,854 5.689,855 0.75,856 19,857 4.716,858 -0.003,859 1.962,860 7.891,861 8.752,862 -0.001,863 6.921,864 0.001,865 2.391,866 31.083,867 0.005,870 35.313,871 40.428,872 145.32,877 86.382,878 35.313,879 99.365,882 94.223,883 33.571,884 7.772,885 4.227,886 35.313,887 45.954,888 35.313,889 139.793,892 45.954,893 35.313,897 4.043,898 102.179,899 33.571,900 45.954,901 35.313,902 99.365,903 86.382,906 35.313,907 11.999,908 28.429,909 45.954,910 99.365,911 35.313,912 99.365,913 86.382,915 0.592,916 0.335,917 0.186,918 0.108,919 11,920 5,923 1,924 1.2,925 2.445,926 80.855,927 0.2,928 10,929 48.106,933 8.567,934 3.032,935 1.538,936 1.566,937 99.365,938 5.589,939 7.91,943 1.552,945 65.794,946 221.061,947 19.5,956 20.404,957 22.665,958 0.402,959 0.751,960 0.852,961 0.954,962 0.954,963 0.954,964 4.23,965 -0.675,966 5.081,967 -1.129,968 3.714,969 4.407,971 5.889,972 3.559,973 5.489,974 -0.816,975 6.642,976 -1.644,977 3.434,978 4.407,980 6.763,981 3.154,982 6.824,983 -1.276,984 8.298,985 -2.308,986 5.303,987 6.755,989 9.85,990 5.046,991 8.193,992 -1.517,993 10.007,994 -3.257,995 5.74,996 7.509,998 11.519,999 5.401,1000 9.588,1001 -1.761,1002 11.749,1003 -4.205,1004 7.166,1005 9.386,1007 14.152,1008 6.839,1009 11.004,1010 -2,1011 13.516,1012 -5.152,1013 7.958,1014 10.523,1016 16.19,1017 7.583,1018 12.437,1019 -2,1020 15.304,1021 -5.976,1022 9.201,1023 12.192,1025 18.642,1026 8.819,1027 3.072,1029 17.107,1030 -6.894,1031 10.169,1032 13.524,1034 20.842,1035 9.75,1036 2.326,1037 10.153,1038 18.923,1040 11.337,1041 15.099,1043 23.218,1044 10.899,1045 2.024,1046 6.29,1047 20.751,1048 4.489,1049 12.388,1050 16.524,1052 25.486,1053 11.915,1054 1.919,1055 5.796,1056 22.587,1057 3.193,1058 13.527,1059 18.057,1061 27.83,1062 13.026,1063 1.006,1064 5.449,1065 24.431,1066 2.811,1067 14.617,1068 19.524,1070 30.127,1071 14.08,1072 0.132,1073 2.565,1074 26.28,1075 2.651,1076 15.744,1077 21.04,1079 32.456,1080 15.175,1081 -0.434,1082 0.313,1083 28.134,1084 1.431,1085 16.852,1086 22.526,1088 34.765,1089 16.246,1090 1003,1091 2050,1092 8.959,1093 14.898,1094 21.188,1095 21.476,1096 21.906,1097 21.09,1098 20.959,1099 29.49,1101 61.132,1102 19.09,1103 5.037,1104 5.154,1105 5.803,1106 5.106,1107 5.072,1108 7.489,1110 17.047,1111 4.953,1112 6.563,1113 1.513,1114 1.534,1115 1.565,1116 1.506,1117 1.497,1118 2.106,1120 4.367,1121 1.364,1122 4.054,1123 4.087,1124 6.88,1125 3.979,1126 5.308,1127 3.979,1128 3.464,1129 3.525,1130 3.986,1131 3.315,1132 4.982,1133 3.314,1134 3.131,1135 3.237,1136 3.297,1137 2.919,1138 4.704,1139 2.926,1140 2.847,1141 2.919,1142 3.02,1143 2.709,1144 4.192,1145 2.68,1146 2.676,1147 2.79,1148 2.543,1149 2.389,1150 3.834,1151 2.402,1152 2.243,1153 2.367,1154 2.477,1155 1.889,1156 3.466,1157 1.846,1158 1.97,1159 2.071,1160 1.994,1161 1.74,1162 3.273,1163 1.682,1164 1.532,1165 1.676,1166 1.697,1167 1.467,1168 2.53,1169 1.352,1170 0.324,1171 0.225,1172 0.464,1173 0.288,1174 0.219,1175 4.537,1176 0.321,1177 3.154,1179 6.498,1180 0.725,1181 4.034,1182 0.211,1183 3.072,1184 4.489,1186 10.153,1187 2.953,1188 2.001,1189 1.977,1190 2.041,1191 2.108,1192 1.168,1193 2.094,1194 1.378,1195 1.324,1196 1.49,1197 1.598,1198 0.411,1199 1.587,1200 1.053,1201 0.978,1202 1.294,1203 1.386,1204 0.206,1205 1.371,1206 0.794,1207 0.718,1208 1.065,1209 1.017,1211 1.047,1212 0.628,1213 0.515,1214 0.927,1215 0.957,1217 0.973,1218 0.15,1219 0.002,1220 0.505,1221 0.503,1223 0.512,1226 0.093,1227 0.186,1229 0.175,1232 0.059,1235 0.013,1236 3.367,1238 4.691,1240 6.221,1242 7.853,1244 9.538,1245 3.343,1250 11.123,1262 14.164,1263 34.787,1264 64.929,1265 73.684,1266 82.439,1267 82.439,1268 82.439,1269 12.687,1270 5.606,1271 77.82,1272 77.82,1273 12,1274 11.729,1275 3.585,1276 2.7,1277 19.04,1278 26,1279 21,1280 0.414,1281 97.176,1282 150.52,1283 228.87,1284 1402,1285 5,1286 9.422,1287 0.725,1288 0.634,1289 10.422,1290 8.245,1291 6.165,1292 0.44,1293 0.317,1294 3.648,1295 5.39,1296 3.528,1297 2.92,1298 6.742,1299 4.442,1300 5.896,1301 0.295,1302 0.177,1303 6.713,1304 3.544,1305 4.52,1306 0.181,1307 0.088,1308 5.045,1309 2.198,1310 3.9,1311 0.118,1312 0.046,1313 4.339,1314 1.504,1315 3.148,1316 0.077,1317 0.026,1318 3.787,1319 1.084,1320 0.589,1321 46.754,1322 0.334,1323 12.7,1324 1.314,1325 68,1326 204.569,1327 140.254,1328 243.053,1329 323.25,1330 224,1331 79,1332 218.057,1333 112.926,1334 235.257,1335 341.82,1336 221,1337 5.6}
{0 CHEMBL6552,1 2.059,2 8.391,3 3.387,4 11.468,5 91.603,6 11.189,7 0.68,8 3.651,9 3.728,10 3.695,11 3.341,12 4.906,13 3.302,14 4.116,15 4.199,16 4.079,17 3.738,18 5.657,19 3.693,20 4.359,21 4.459,22 4.307,23 3.909,24 5.798,25 3.841,26 4.426,27 4.526,28 4.241,29 3.833,30 5.921,31 3.782,32 4.43,33 4.56,34 4.131,35 3.71,36 6.139,37 3.682,38 4.295,39 4.482,40 3.819,41 3.556,42 5.693,43 3.491,44 4.055,45 4.248,46 3.606,47 3.389,48 5.429,49 3.29,50 3.896,51 4.102,52 3.535,53 3.119,54 5.252,55 3.013,56 0.162,57 0.518,58 3.207,59 2.838,60 31.185,61 2.104,62 0.357,63 0.782,64 4.025,65 4.511,66 57.892,67 4.441,68 0.478,69 0.958,70 17.876,71 6.829,72 55.101,73 5.54,74 0.599,75 0.999,76 18.833,77 7.353,78 98.543,79 5.68,80 0.823,81 0.976,82 17.874,83 6.636,84 126.042,85 4.716,86 0.642,87 0.795,88 15.188,89 6.389,90 98.408,91 6.638,92 0.401,93 0.665,94 13.031,95 4.983,96 56.603,97 5.177,98 0.472,99 0.463,100 14.609,101 4.41,102 62.841,103 4.549,104 37,105 38,106 0.374,107 0.635,108 0.743,109 0.861,110 0.883,111 0.883,112 3.19,113 1.027,114 -4.65,115 -4.57,116 -4.3,119 42.4,139 6,140 1,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 3,169 2,170 3,172 3,173 3,175 1,178 6,180 1,182 9,189 6,193 7,195 1,196 1,197 1,198 4,200 2,201 5,204 4,205 1,206 4,207 5,209 2,210 2,212 2,215 4,218 2,221 6,226 3,229 5,231 3,234 2,236 2,237 2,239 1,241 4,243 1,246 2,251 3,254 2,256 3,260 2,265 2,268 1,270 2,273 670,274 14.772,275 14.772,276 14.772,277 14.772,278 14.772,279 12.4,280 12.809,281 8.285,282 15.463,283 12.281,284 12.281,285 12.281,286 12.281,287 12.281,288 8.687,289 13.294,290 3.88,291 13.584,292 2.986,293 1.546,294 0.955,295 0.303,296 0.182,297 0.182,298 3.859,299 2,300 1,301 1,302 1,303 408,304 3.162,307 177.632,311 93.495,314 1.191,315 41.145,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 50.667,327 193,328 5.029,329 5.359,330 7.748,331 4.458,332 3.577,333 4.978,334 2.95,335 14.065,336 3.164,337 4.479,338 3.38,339 6.644,340 3.953,341 3.009,342 4.369,344 10.458,345 2.785,346 4.108,347 3.207,348 5.92,349 3.573,350 2.705,351 3.729,353 8.101,354 2.279,355 3.604,356 2.783,357 5.451,358 3.113,359 2.196,360 3.041,362 6.476,363 1.995,364 3.437,365 2.174,366 5.062,367 2.951,368 2.005,369 2.838,371 5.82,372 1.891,373 3.155,374 2.134,375 4.956,376 2.667,377 1.737,378 2.404,380 5.237,381 1.572,382 2.901,383 2.078,384 4.254,385 2.335,386 1.414,387 2.064,389 3.639,390 1.309,391 2.819,392 1.394,393 4.031,394 2.302,395 1.351,396 1.946,398 3.469,399 1.194,400 2.55,401 1.197,402 3.681,403 2.034,404 1.064,405 1.546,407 2.661,408 1.024,409 1.369,410 0.776,411 3.091,412 0.83,413 0.094,414 0.114,415 0.206,416 0.055,417 1.285,418 0.392,419 2.727,420 0.821,421 -0.11,422 -0.147,423 -0.285,424 -0.102,425 1.051,426 0.002,427 2.676,428 0.539,429 -0.394,430 -0.533,431 -1.082,432 -0.361,433 1,434 -0.076,435 2.404,436 0.297,437 -0.626,438 -0.779,439 -1.58,440 -0.437,441 0.744,442 -0.303,443 2.375,444 0.226,445 -0.656,446 -0.867,448 -1.724,449 -0.585,450 0.716,451 -0.33,452 2.175,453 0.011,454 -0.936,455 -1.27,457 -2.382,458 -0.881,459 11.529,460 0.501,461 0.869,462 0.038,463 35,464 1.522,465 20,466 0.87,467 15,468 0.652,469 15.684,470 0.682,471 23.871,472 0.723,473 26.576,474 1.155,475 6.669,476 0.29,477 4.133,478 0.18,479 0.251,480 0.072,481 0.347,485 0.661,486 1.03,487 0.642,488 0.876,489 0.847,490 0.638,491 0.572,492 0.833,493 0.608,494 0.747,495 0.584,496 0.734,497 1.049,498 1.108,499 1.031,500 1.093,501 0.912,502 0.902,503 1.355,504 1.265,505 0.994,506 1.261,507 1.588,508 1.108,509 1.11,510 0.958,511 0.871,512 1.005,513 1.348,514 1.052,515 0.902,516 0.953,517 0.619,518 0.784,519 1.074,520 0.946,521 0.744,522 1.064,523 0.976,524 0.935,525 0.491,526 1.07,527 1.144,528 0.877,529 1.147,530 0.791,531 1.019,532 0.978,533 6.5,534 0.041,535 4,536 2.875,537 2.169,538 1.056,539 0.544,540 0.358,541 0.246,542 0.091,543 4693,544 20121,545 1.981,546 30.3,548 6,551 4,555 1.664,556 1.781,557 3.026,558 1.951,560 1,564 67.943,565 2.059,566 3.498,567 4.09,568 4.741,569 4.863,570 4.863,571 2.459,572 4.35,573 4.497,574 3.123,575 790.238,576 7.777,577 8508.44,578 1,579 1,580 1,581 1,582 166.465,583 1.762,584 4.403,585 0.26,586 0.014,587 0.105,588 0.068,589 0.056,590 0.03,591 0.021,592 0.017,593 0.016,594 0.011,595 0.599,596 0.17,597 1,598 0.702,599 104.348,600 -0.067,601 0.122,602 0.046,603 0.065,604 -0.26,605 0.131,606 0.189,607 0.212,608 0.067,609 0.124,610 0.207,611 0.069,612 -0.171,613 -0.059,614 -0.054,615 -0.036,616 -0.038,617 -0.011,618 -0.247,619 -0.266,620 -0.101,621 -0.203,622 -0.251,623 -0.212,624 0.069,625 0.094,626 -0.093,627 -0.077,628 0.042,629 -0.199,630 0.07,631 -0.096,632 0.186,633 0.107,634 -0.024,635 0.142,636 0.028,637 -0.094,638 -0.03,639 -0.014,640 0.13,641 -0.013,642 -0.054,643 -0.043,644 0.095,645 0.154,646 -0.102,647 0.173,648 4.801,649 5.904,650 0.696,651 14.658,652 1.04,653 1.118,654 3.423,655 11.717,656 0.768,657 3.258,658 3.664,659 3.951,660 4.22,661 4.477,662 4.511,663 4.554,664 4.554,665 4.635,666 4.533,667 4.889,668 0.741,669 369.25,670 3.258,671 4.844,672 5.72,673 6.64,674 7.54,675 8.461,676 9.369,677 10.292,678 11.204,679 12.127,680 12.1,684 2,690 2,694 2,695 6,696 2,700 6,702 17,711 2,717 2,718 33,719 19,720 2,721 25,723 35,724 14,725 14,726 6,727 6,729 3,730 4,731 2,741 14,744 2,747 1,748 2,753 1,754 1,757 10,758 6,759 4,760 9,761 3,764 4,769 0.667,770 2,776 1,781 3,785 1,802 2,804 1,807 2,810 23,811 2,813 1,828 2,829 6.1,832 2,836 12.917,837 5.852,838 4.861,839 1.66,840 3.371,841 1.484,842 1.036,843 4,844 10.341,845 3.597,846 4.344,847 4.977,848 5.606,849 6.223,850 6.527,851 6.911,852 7.204,853 7.629,854 7.751,855 0.833,856 42,857 8.75,859 4.193,860 8.216,861 15.381,863 12.921,865 2.716,866 62.472,870 70.627,871 81.95,872 99.365,873 78.297,874 44.313,876 6.046,877 75.904,878 193.237,879 99.365,882 128.698,883 77.884,884 14.82,885 4.227,886 70.627,887 78.297,888 70.627,889 175.27,890 44.313,891 84.343,893 70.627,894 44.313,897 4.043,898 137.655,899 117.914,901 70.627,902 143.678,903 160.248,905 6.046,906 70.627,907 19.047,908 56.857,910 221.976,911 70.627,912 143.678,913 160.248,915 0.609,916 0.364,917 0.19,918 0.108,919 20,920 10,921 0.057,922 2,923 1,924 1.125,925 3.253,926 194.863,927 0.125,928 16,929 102.042,932 1,933 16.117,934 5.709,935 2.78,936 0.559,937 143.678,938 8.662,939 7.845,943 0.341,945 65.794,946 374.553,947 35.5,950 -3.884,951 25.809,956 34.32,957 36.881,958 0.408,959 0.694,960 0.811,961 0.94,962 0.964,963 0.964,964 4.862,965 1.351,966 5.79,967 3.639,968 4.344,969 5.03,970 2.913,971 6.723,972 4.148,973 6.166,974 1.064,975 7.444,976 3.469,977 4.29,978 5.27,980 8.074,981 3.894,982 7.561,983 0.094,984 9.214,985 2.661,986 6.107,987 7.487,988 5.027,989 11.191,990 5.699,991 8.999,992 -0.11,993 11.055,994 0.206,995 6.825,996 8.5,998 13.373,999 6.206,1000 10.471,1001 -0.394,1002 12.944,1003 -0.285,1004 8.234,1005 10.29,1006 7.185,1007 16.131,1008 7.585,1009 11.969,1010 -0.626,1011 14.867,1012 -1.082,1013 9.272,1014 11.631,1016 18.609,1017 8.437,1018 13.488,1019 -0.656,1020 16.816,1021 -1.58,1022 10.558,1023 13.278,1024 9.348,1025 21.275,1026 9.657,1027 3.577,1028 -0.936,1029 18.784,1030 -1.724,1031 11.725,1032 14.758,1034 23.855,1035 10.665,1036 3.009,1037 14.065,1038 20.769,1039 -2.382,1040 12.98,1041 16.358,1042 11.511,1043 26.499,1044 11.827,1045 2.705,1046 10.458,1047 22.765,1048 4.978,1049 14.2,1050 17.898,1052 29.116,1053 12.904,1054 2.196,1055 8.101,1056 24.771,1057 4.369,1058 15.451,1059 19.485,1060 13.675,1061 31.756,1062 14.046,1063 2.005,1064 6.476,1065 26.785,1066 3.729,1067 16.695,1068 21.052,1070 34.388,1071 15.156,1072 1.737,1073 5.82,1074 28.804,1075 3.041,1076 17.951,1077 22.638,1078 15.838,1079 37.028,1080 16.293,1081 1.414,1082 5.237,1083 30.829,1084 2.838,1085 19.206,1086 24.219,1088 39.666,1089 17.419,1090 4695,1091 9858,1092 15.72,1093 25.341,1094 38.603,1095 41.108,1096 40.876,1097 38.5,1098 38.305,1099 54.055,1100 5.9,1101 120.263,1102 34.538,1103 5.792,1104 7.359,1105 7.262,1106 5.587,1107 5.577,1108 7.978,1109 5.9,1110 22.515,1111 5.164,1112 14.007,1113 1.544,1114 1.644,1115 1.635,1116 1.54,1117 1.532,1118 2.162,1119 0.236,1120 4.811,1121 1.382,1122 4.179,1123 4.167,1124 4.762,1125 4.188,1126 7.715,1127 4.112,1128 3.92,1129 3.933,1130 4.064,1131 3.856,1132 6.999,1133 3.849,1134 3.604,1135 3.598,1136 3.936,1137 3.539,1138 5.303,1139 3.468,1140 3.394,1141 3.419,1142 3.4,1143 3.233,1144 5.03,1145 3.24,1146 3.095,1147 3.208,1148 3.349,1149 2.822,1150 4.98,1151 2.843,1152 2.878,1153 2.921,1154 3.097,1155 2.791,1156 4.672,1157 2.765,1158 2.779,1159 2.869,1160 2.979,1161 2.61,1162 4.49,1163 2.606,1164 2.672,1165 2.717,1166 2.642,1167 2.521,1168 4.186,1169 2.509,1170 0.201,1171 0.214,1172 0.31,1173 0.178,1174 0.143,1175 5.029,1176 0.199,1177 5.359,1178 0.118,1179 7.748,1180 0.563,1181 4.458,1182 0.127,1183 3.577,1184 4.978,1185 2.95,1186 14.065,1187 3.164,1188 2.079,1189 2.09,1190 2.059,1191 2.145,1192 1.308,1193 2.158,1194 1.875,1195 1.862,1196 1.899,1197 1.944,1198 1.058,1199 1.962,1200 1.441,1201 1.454,1202 1.53,1203 1.64,1204 0.527,1205 1.636,1206 1.306,1207 1.28,1208 1.285,1209 1.442,1210 0.425,1211 1.478,1212 0.979,1213 0.89,1214 1.128,1215 1.356,1216 0.165,1217 1.347,1218 0.867,1219 0.824,1220 1.065,1221 1.017,1222 0.041,1223 1.056,1224 0.742,1225 0.672,1226 0.977,1227 1.009,1229 1.023,1230 0.609,1231 0.555,1232 0.816,1233 0.813,1235 0.845,1236 3.932,1238 5.313,1240 6.901,1242 8.584,1244 10.318,1247 11.749,1250 11.392,1262 24.465,1263 67.943,1264 115.445,1265 134.955,1266 156.465,1267 160.465,1268 160.465,1269 53.413,1270 6.97,1271 111.96,1272 120.34,1273 18,1274 12.636,1275 4.322,1276 3.524,1277 36.56,1278 66,1279 70,1280 0.279,1281 162.43,1282 270.37,1283 388.09,1284 8552,1285 6.1,1286 16.776,1287 0.729,1288 0.601,1289 18.026,1290 13.822,1291 10.803,1292 0.432,1293 0.342,1294 6.437,1295 9.141,1296 6.122,1297 5.028,1298 12.169,1299 8.562,1300 10.715,1301 0.282,1302 0.196,1303 12.756,1304 7.429,1305 8.841,1306 0.173,1307 0.113,1308 11.059,1309 5.754,1310 7.248,1311 0.108,1312 0.061,1313 8.914,1314 4.065,1315 5.947,1316 0.068,1317 0.035,1318 7.819,1319 3.063,1320 0.416,1321 81.447,1322 0.252,1323 21.799,1324 0.836,1325 126,1326 428.653,1327 207.063,1328 500.64,1329 655.86,1330 456,1331 152,1332 410.803,1333 236.403,1334 472.962,1335 696.5,1336 443,1337 4.24}
{0 CHEMBL66077,1 1.541,2 7,3 1.254,4 1.574,5 64.417,6 8.38,7 0.842,8 3.459,9 3.604,10 3.117,11 2.962,12 4.72,13 2.99,14 3.875,15 4.035,16 3.492,17 3.322,18 5.172,19 3.327,20 4.031,21 4.235,22 3.447,23 3.333,24 5.219,25 3.323,26 3.999,27 4.224,28 3.319,29 3.21,30 5.268,31 3.188,32 3.9,33 4.155,34 2.993,35 3.07,36 4.989,37 3.008,38 3.649,39 3.891,40 2.823,41 2.896,42 4.726,43 2.834,44 3.485,45 3.72,46 2.624,47 2.695,48 4.657,49 2.63,50 3.339,51 3.616,52 2.117,53 2.392,54 4.435,55 2.262,56 0.08,57 0.487,58 4.604,59 1.65,60 10.833,61 2.079,62 0.173,63 0.721,64 7.36,65 3.172,66 16.527,67 4.129,68 0.204,69 0.767,70 9.996,71 3.284,72 18.222,73 4.532,74 0.259,75 0.707,76 10.261,77 3.057,78 28.722,79 4.292,80 0.228,81 0.587,82 10.363,83 2.807,84 25.194,85 4.048,86 0.132,87 0.466,88 7.853,89 2.475,90 14.111,91 3.558,92 0.106,93 0.392,94 6.347,95 1.977,96 13.361,97 2.833,98 0.114,99 0.294,100 6.218,101 1.74,102 15.75,103 2.605,104 5,105 27,106 0.296,107 0.617,108 0.725,109 0.808,110 0.827,111 0.827,112 2.91,113 0.802,114 -3.71,115 -3.68,116 -3.5,119 40.7,139 5,140 1,144 1,146 1,147 1,149 1,155 1,157 2,158 2,159 2,166 6,169 2,170 1,172 3,173 4,175 1,178 6,182 2,185 2,186 1,187 2,188 1,189 3,192 1,193 3,195 3,196 3,197 1,198 2,200 2,205 1,207 4,211 1,212 2,214 1,218 1,221 4,226 3,231 3,234 3,239 4,243 4,246 1,251 3,256 3,265 1,270 1,273 260,274 11.516,275 11.516,276 11.516,277 11.516,278 11.516,279 9.621,280 6.325,281 6.809,282 11.799,283 9.41,284 9.41,285 9.41,286 9.41,287 9.41,288 6.601,289 7.5,290 3.278,291 9.906,292 3.214,293 1.54,294 0.976,295 0.546,296 0.444,297 0.444,298 3.585,301 1,302 1,303 259,304 1.732,306 29.593,307 86.35,310 58.136,314 1.059,315 14.2,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 37,327 119,328 4.603,329 3.175,330 6.573,331 4.096,332 3.153,333 4.562,335 10.47,336 2.974,337 4.076,338 2.721,339 6.042,340 3.666,341 2.697,342 3.661,344 8.671,345 2.616,346 3.556,347 2.227,348 5.067,349 3.059,350 2.137,351 3,353 5.963,354 1.967,355 3.399,356 2.055,357 5.017,358 2.907,359 1.98,360 2.767,362 5.793,363 1.833,364 3.116,365 1.67,366 4.367,367 2.63,368 1.661,369 2.385,371 4.162,372 1.604,373 2.54,374 1.059,375 3.654,376 2.01,377 1.049,378 1.56,380 2.6,381 1.005,382 2.5,383 1,384 3.483,385 2,386 1,387 1.5,389 2.136,390 1,391 2.183,392 0.817,393 3.247,394 1.661,395 0.754,396 1.054,398 2.111,399 0.683,400 1.124,401 -0.195,402 2.7,403 0.638,404 -0.273,405 -0.37,407 -0.748,408 -0.249,409 0.755,410 -0.34,411 2.393,412 0.355,413 -0.55,414 -0.657,415 -1.319,416 -0.498,417 0.732,418 -0.668,419 2.36,420 0.304,421 -0.68,422 -0.919,423 -1.578,424 -0.67,425 0.5,426 -1,427 1.566,429 -1,430 -1.5,431 -2.347,432 -1,433 0.172,434 -1.098,435 1.555,436 -0.236,437 -1.165,438 -1.622,439 -3.448,440 -1.076,441 0.051,442 -1.301,443 1.446,444 -0.412,445 -1.36,446 -1.861,448 -3.77,449 -1.272,450 -0.233,451 -1.473,452 1.303,453 -0.618,454 -1.544,455 -2.069,457 -4.707,458 -1.436,459 7.9,460 0.465,461 0.435,462 0.026,463 27,464 1.588,465 15,466 0.882,467 12,468 0.706,469 8.368,470 0.492,471 17.3,472 0.641,473 16.331,474 0.961,475 5.395,476 0.317,477 2.842,478 0.167,479 0.101,481 0.38,485 1.257,486 1.235,487 0.76,488 0.796,489 1.407,490 0.7,491 0.411,492 0.992,493 0.647,494 1.029,495 0.408,496 0.912,497 0.974,498 1.16,499 0.919,500 1.055,501 0.884,502 0.99,503 1.002,504 0.997,505 1.049,506 1.041,507 0.796,508 1.052,509 1.346,510 0.839,511 1.211,512 0.871,513 1.278,514 0.988,515 1.06,516 0.985,517 1.017,518 0.969,519 0.852,520 0.981,521 1.164,522 1.213,523 1.191,524 1.223,525 1.206,526 1.214,527 1.25,528 1.042,529 1.387,530 1.228,531 1.602,532 1.315,533 3.5,535 1.778,536 1.257,537 0.966,538 0.476,539 0.209,540 0.129,541 0.057,542 0.016,543 2332,544 6767,545 2.127,546 37,548 5,551 5,555 1.571,556 2,557 2.839,558 3.117,562 1,564 41.599,565 1.541,566 3.215,567 3.778,568 4.208,569 4.31,570 4.31,571 2.257,572 3.264,573 4.061,574 2.904,575 394.929,576 6.871,577 3462.86,579 1,582 128.382,583 1.379,584 4.023,585 0.184,587 0.066,588 0.05,589 0.046,590 0.032,591 0.016,592 0.013,593 0.011,594 0.016,595 0.434,596 0.5,597 1,598 0.604,599 69.089,600 -0.339,601 -0.067,602 -0.019,603 0.138,604 -0.459,605 0.126,606 0.463,607 0.127,608 0.14,609 -0.061,610 0.316,611 -0.032,612 0.009,613 -0.128,614 -0.028,615 -0.12,616 -0.063,617 -0.089,618 0.095,619 0.012,620 -0.106,621 -0.144,622 0.213,623 -0.162,624 -0.302,625 0.096,626 -0.202,627 0.066,628 -0.265,629 -0.027,630 -0.178,631 -0.065,632 -0.03,633 0.033,635 0.032,636 -0.235,637 -0.28,638 -0.223,639 -0.255,640 -0.12,641 -0.24,642 -0.273,643 -0.203,644 -0.31,645 -0.258,646 -0.322,647 -0.285,648 1.541,649 1.746,650 0.882,651 9.806,652 1.014,653 1.141,654 2.48,655 6.151,656 0.687,657 2.996,658 3.332,659 3.611,660 3.912,661 4.111,662 4.19,663 4.234,664 4.304,665 4.22,666 4.043,667 4.22,668 0.673,669 226.27,670 2.996,671 4.533,672 5.389,673 6.279,674 7.155,675 8.052,676 8.938,677 9.838,678 10.728,679 11.63,680 22.2,684 2,688 1,690 3,694 2,695 5,696 3,697 1,700 4,702 16,711 2,718 27,719 16,720 1,721 19,723 29,724 11,725 11,726 1,727 5,729 3,730 4,741 11,754 1,757 10,758 5,759 5,760 6,763 1,764 6,769 0.667,776 1,780 1,781 2,784 1,802 2,810 17,811 2,836 8.5,837 4.683,838 3.667,839 1.39,840 3.131,841 1.485,842 1.072,843 2.196,844 9.583,845 3.332,846 4.021,847 4.681,848 5.351,849 5.91,850 6.29,851 6.708,852 7.15,853 7.366,854 7.575,855 0.8,856 25,857 6.188,859 2.644,860 7.824,861 11.548,863 9.333,865 2.324,866 39.5,867 0.001,870 58.856,871 60.981,872 132.936,877 60.981,878 58.856,879 132.936,882 113.176,883 52.685,884 21.686,885 6.371,886 58.856,888 58.856,889 193.918,893 60.571,897 21.013,898 120.833,899 50.357,901 58.856,902 132.936,903 60.981,906 58.856,907 13.6,908 47.381,909 16.786,910 116.151,911 58.856,912 132.936,913 60.981,915 0.585,916 0.339,917 0.192,918 0.105,919 15,920 6,921 0.034,922 1,923 1,924 1.133,925 2.966,926 123.273,927 0.133,928 15,929 65.487,933 10.052,934 3.714,935 1.704,936 1.09,937 116.151,938 9.714,939 12.247,940 3.091,943 2.096,945 82.58,946 252.773,947 27,956 27.378,957 30.82,958 0.324,959 0.676,960 0.795,961 0.885,962 0.907,963 0.907,964 4.543,965 0.754,966 5.38,967 2.136,968 4.007,969 4.705,971 6.201,972 3.904,973 5.784,974 -0.273,975 6.94,976 2.111,977 3.611,978 4.559,980 7.081,981 3.445,982 7.107,983 -0.55,984 8.6,985 -0.748,986 5.602,987 7.019,989 10.205,990 5.395,991 8.469,992 -0.68,993 10.318,994 -1.319,995 6.019,996 7.72,998 11.92,999 5.747,1000 9.863,1001 -1,1002 12.074,1003 -1.578,1004 7.496,1005 9.636,1007 14.548,1008 7.187,1009 11.281,1010 -1.165,1011 13.856,1012 -2.347,1013 8.295,1014 10.754,1016 16.613,1017 7.92,1018 12.719,1019 -1.36,1020 15.656,1021 -3.448,1022 9.563,1023 12.435,1025 19.06,1026 9.147,1027 3.153,1028 -1.544,1029 17.471,1030 -3.77,1031 10.544,1032 13.762,1034 21.277,1035 10.062,1036 2.697,1037 10.47,1038 19.297,1039 -4.707,1040 11.728,1041 15.343,1043 23.655,1044 11.198,1045 2.137,1046 8.671,1047 21.131,1048 4.562,1049 12.794,1050 16.769,1052 25.939,1053 12.198,1054 1.98,1055 5.963,1056 22.972,1057 3.661,1058 13.945,1059 18.309,1061 28.293,1062 13.297,1063 1.661,1064 5.793,1065 24.819,1066 3,1067 15.05,1068 19.783,1070 30.607,1071 14.338,1072 1.049,1073 4.162,1074 26.67,1075 2.767,1076 16.192,1077 21.306,1079 32.953,1080 15.423,1081 1,1082 2.6,1083 28.525,1084 2.385,1085 17.315,1086 22.802,1088 35.282,1089 16.484,1090 2282,1091 3991,1092 12.83,1093 18.557,1094 29.214,1095 28.774,1096 29.427,1097 28.9,1098 28.861,1099 40.979,1101 83.809,1102 27.366,1103 5.244,1104 5.175,1105 6.375,1106 5.169,1107 5.153,1108 7.562,1110 17.409,1111 4.974,1112 6.663,1113 1.538,1114 1.514,1115 1.549,1116 1.521,1117 1.519,1118 2.157,1120 4.411,1121 1.44,1122 4.104,1123 4.156,1124 4.084,1125 3.949,1126 5.346,1127 3.973,1128 3.83,1129 3.868,1130 3.767,1131 3.732,1132 4.988,1133 3.742,1134 3.359,1135 3.449,1136 3.298,1137 3.093,1138 4.897,1139 3.135,1140 3.076,1141 3.199,1142 2.959,1143 2.763,1144 4.662,1145 2.797,1146 2.854,1147 2.925,1148 2.687,1149 2.735,1150 4.113,1151 2.715,1152 2.79,1153 2.863,1154 2.677,1155 2.617,1156 3.803,1157 2.632,1158 2.536,1159 2.675,1160 2.353,1161 2.137,1162 3.674,1163 2.173,1164 2.326,1165 2.471,1166 2.089,1167 1.886,1168 3.529,1169 1.913,1170 0.242,1171 0.167,1172 0.346,1173 0.216,1174 0.166,1175 4.603,1176 0.24,1177 3.175,1179 6.573,1180 0.551,1181 4.096,1182 0.157,1183 3.153,1184 4.562,1186 10.47,1187 2.974,1188 1.906,1189 1.877,1190 2.02,1191 2.017,1192 1.09,1193 2.008,1194 1.785,1195 1.737,1196 1.826,1197 1.978,1198 0.841,1199 1.952,1200 1.302,1201 1.235,1202 1.42,1203 1.574,1204 0.4,1205 1.538,1206 0.982,1207 0.888,1208 1.241,1209 1.336,1210 0.218,1211 1.319,1212 0.886,1213 0.821,1214 1.181,1215 1.241,1216 0.009,1217 1.216,1218 0.836,1219 0.724,1220 1.121,1221 1.062,1223 1.107,1224 0.631,1225 0.535,1226 0.93,1227 0.875,1229 0.906,1230 0.176,1231 0.013,1232 0.475,1233 0.618,1235 0.589,1236 3.664,1238 4.99,1239 2.398,1240 6.515,1241 4.727,1242 8.13,1243 6.862,1244 9.793,1250 11.263,1262 18.182,1263 41.599,1264 86.798,1265 102.017,1266 113.627,1267 116.382,1268 116.382,1269 16.74,1270 6.452,1271 106.5,1272 106.5,1273 17,1274 12.153,1275 4.087,1276 3.17,1277 23.691,1278 44,1279 38,1280 0.286,1281 114.38,1282 176.6,1283 270.847,1284 4430,1286 11.828,1287 0.696,1288 0.523,1289 11.828,1290 8.883,1291 8.237,1292 0.434,1293 0.267,1294 4.999,1295 7.921,1296 4.924,1297 4.096,1298 8.237,1299 5.08,1300 7.607,1301 0.282,1302 0.134,1303 7.607,1304 3.617,1305 6.313,1306 0.175,1307 0.068,1308 6.313,1309 2.444,1310 5.583,1311 0.114,1312 0.034,1313 5.583,1314 1.669,1315 4.262,1316 0.071,1317 0.017,1318 4.262,1319 1.047,1320 0.427,1321 51.633,1322 0.279,1323 16.832,1324 0.847,1325 92,1326 265.893,1327 102.602,1328 267.767,1329 377.76,1330 250,1331 109,1332 296.394,1333 119.602,1334 301.098,1335 442.3,1336 284,1337 4.222}
{0 CHEMBL6642,1 1.984,2 8.455,3 3.291,4 10.827,5 92.126,6 11.039,7 0.708,8 3.613,9 3.701,10 3.603,11 3.314,12 4.881,13 3.271,14 4.041,15 4.139,16 4,17 3.711,18 5.377,19 3.643,20 4.289,21 4.402,22 4.233,23 3.872,24 5.634,25 3.778,26 4.293,27 4.407,28 4.135,29 3.771,30 5.686,31 3.683,32 4.283,33 4.433,34 3.927,35 3.642,36 5.793,37 3.57,38 4.198,39 4.399,40 3.688,41 3.511,42 5.467,43 3.426,44 4.028,45 4.225,46 3.563,47 3.379,48 5.301,49 3.27,50 3.844,51 4.052,52 3.528,53 3.104,54 5.176,55 2.994,56 0.13,57 0.493,58 2.771,59 2.491,60 18.654,61 2.081,62 0.212,63 0.744,64 4.201,65 4.124,66 22.002,67 4.413,68 0.379,69 0.91,70 18.186,71 6.443,72 36.793,73 5.496,74 0.403,75 0.919,76 18.116,77 6.57,78 55.583,79 5.595,80 0.544,81 0.893,82 16.468,83 5.967,84 76.734,85 4.652,86 0.415,87 0.761,88 13.518,89 5.842,90 56.296,91 6.582,92 0.319,93 0.656,94 13.139,95 4.959,96 39.312,97 5.169,98 0.377,99 0.456,100 14.075,101 4.221,102 43.978,103 4.523,104 26,105 35,106 0.364,107 0.637,108 0.749,109 0.873,110 0.896,111 0.896,112 3.148,113 1.008,114 -4.69,115 -4.6,116 -4.33,119 43.8,139 6,140 1,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 3,172 3,173 3,175 1,178 6,180 1,182 5,189 6,193 5,195 1,196 1,197 1,198 4,200 2,201 5,204 4,205 1,206 2,207 3,209 1,210 1,212 2,215 4,218 2,221 5,226 3,229 5,231 3,234 2,236 1,237 1,239 1,241 4,243 1,246 2,251 3,254 2,256 3,260 2,265 2,268 1,270 2,273 604,274 14.43,275 14.43,276 14.43,277 14.43,278 14.43,279 12.216,280 12.397,281 8.226,282 15.134,283 11.79,284 11.79,285 11.79,286 11.79,287 11.79,288 8.454,289 12.646,290 3.867,291 13.05,292 3.016,293 1.532,294 0.922,295 0.25,296 0.125,297 0.125,298 3.821,299 2,300 1,301 1,302 1,303 395,304 2.646,307 167.657,311 88.484,314 1.182,315 30.039,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 47.667,327 186,328 4.671,329 4.914,330 6.908,331 4.181,332 3.244,333 4.61,334 2.95,335 11.549,336 3.055,337 4.282,338 3.38,339 6.215,340 3.781,341 2.884,342 3.944,344 9.121,345 2.529,346 3.938,347 3.196,348 5.849,349 3.424,350 2.569,351 3.404,353 7.853,354 2.164,355 3.565,356 2.779,357 5.244,358 3.075,359 2.167,360 2.967,362 6.343,363 1.93,364 3.434,365 2.162,366 5.06,367 2.95,368 2.004,369 2.824,371 5.818,372 1.865,373 3.112,374 2.133,375 4.825,376 2.642,377 1.708,378 2.346,380 5.016,381 1.566,382 2.821,383 2.078,384 4.051,385 2.306,386 1.414,387 1.95,389 3.527,390 1.206,391 2.728,392 1.325,393 3.747,394 2.208,395 1.238,396 1.806,398 2.825,399 1.182,400 2.378,401 1.126,402 3.68,403 1.748,404 0.803,405 1.195,407 2.084,408 0.738,409 1.36,410 0.719,411 2.735,412 0.829,413 0.066,414 0.081,415 0.144,416 0.04,417 1.285,418 0.381,419 2.683,420 0.802,421 -0.111,422 -0.15,423 -0.288,424 -0.104,425 1.05,426 -0.029,427 2.408,428 0.523,429 -0.409,430 -0.549,431 -1.09,432 -0.371,433 0.751,434 -0.188,435 2.373,436 0.289,437 -0.627,438 -0.784,439 -1.557,440 -0.448,441 0.72,442 -0.308,443 2.239,444 0.22,445 -0.68,446 -0.931,448 -1.7,449 -0.606,450 0.371,451 -0.502,452 1.893,453 0.011,454 -0.937,455 -1.275,457 -2.372,458 -0.881,459 11.195,460 0.509,461 0.703,462 0.032,463 32.75,464 1.489,465 18.5,466 0.841,467 14.25,468 0.648,469 15.011,470 0.682,471 22.405,472 0.7,473 23.12,474 1.051,475 6.352,476 0.289,477 4.117,478 0.187,479 0.229,481 0.432,485 0.736,486 0.961,487 0.603,488 0.72,489 0.877,490 0.609,491 0.55,492 0.812,493 0.624,494 0.738,495 0.55,496 0.738,497 1.056,498 1.068,499 1.062,500 1.078,501 0.908,502 0.906,503 1.186,504 1.285,505 1.023,506 1.311,507 1.435,508 1.137,509 1.099,510 1.003,511 0.879,512 1.037,513 1.359,514 1.097,515 0.79,516 0.989,517 0.557,518 0.78,519 0.975,520 0.933,521 0.885,522 1.067,523 0.972,524 0.946,525 0.652,526 1.056,527 1.137,528 0.907,529 1.113,530 0.823,531 1.02,532 0.952,533 5,534 0.041,535 3.111,536 2.25,537 1.751,538 0.847,539 0.464,540 0.358,541 0.246,542 0.091,543 4376,544 17919,545 2.017,546 31.3,548 6,551 4,555 1.649,556 1.833,557 3.052,558 1.959,560 1,562 1,564 63.478,565 1.984,566 3.468,567 4.078,568 4.75,569 4.875,570 4.875,571 2.465,572 4.187,573 4.434,574 3.148,575 727.078,576 7.638,577 7683.69,578 1,579 1,580 1,581 1,582 160,583 1.544,584 4.36,585 0.208,586 0.014,587 0.089,588 0.059,589 0.052,590 0.029,591 0.019,592 0.018,593 0.016,594 0.011,595 0.516,596 0.17,597 1,598 0.688,599 98.954,600 -0.117,601 0.147,602 0.015,603 0.119,604 -0.258,605 0.132,606 0.124,607 0.224,608 0.066,609 0.123,610 0.083,611 0.072,612 -0.155,613 -0.023,614 -0.055,615 -0.011,616 -0.036,617 -0.009,618 -0.137,619 -0.269,620 -0.086,621 -0.234,622 -0.151,623 -0.231,624 -0.019,625 0.057,626 -0.115,627 -0.094,628 -0.014,629 -0.216,630 0.097,631 -0.12,632 0.192,633 0.106,634 0.029,635 0.146,636 -0.049,637 -0.112,638 -0.037,639 -0.015,640 0.049,641 -0.012,642 0.042,643 -0.06,644 0.121,645 0.124,646 -0.01,647 0.172,648 2.723,649 5.828,650 0.727,651 13.818,652 1.031,653 1.115,654 3.457,655 11.95,656 0.778,657 3.219,658 3.584,659 3.871,660 4.143,661 4.382,662 4.419,663 4.443,664 4.511,665 4.575,666 4.5,667 4.945,668 0.742,669 353.25,670 3.219,671 4.779,672 5.645,673 6.544,674 7.428,675 8.33,676 9.22,677 10.124,678 11.017,679 11.921,680 12.5,684 2,690 2,694 2,695 6,696 2,700 6,702 17,711 2,717 2,718 32,719 18,720 2,721 24,723 34,724 14,725 14,726 6,727 6,729 3,730 4,731 2,741 14,744 1,748 1,752 1,753 1,754 1,757 10,758 5,759 4,760 8,761 3,764 4,769 0.667,770 1,776 1,781 3,785 1,802 2,804 1,807 2,810 22,811 2,812 1,828 2,829 3.1,832 1,836 12,837 5.686,838 4.75,839 1.633,840 3.393,841 1.491,842 1.035,843 4.123,844 10.306,845 3.541,846 4.234,847 4.89,848 5.52,849 6.12,850 6.412,851 6.765,852 7.134,853 7.543,854 7.683,855 0.833,856 38,857 8.111,859 3.574,860 8.035,861 14.863,863 12.257,865 2.535,866 55.778,870 70.627,871 95.037,872 99.365,873 78.297,874 22.156,876 19.133,877 75.904,878 171.08,879 99.365,882 141.785,883 55.728,884 14.82,885 4.227,886 70.627,887 78.297,888 70.627,889 175.27,890 22.156,891 97.43,893 70.627,894 22.156,897 4.043,898 137.655,899 111.868,900 19.133,901 70.627,902 121.522,903 173.334,906 89.759,907 19.047,908 56.857,910 199.819,911 70.627,912 121.522,913 173.334,915 0.597,916 0.359,917 0.192,918 0.106,919 18,920 9,921 0.059,922 2,923 1,924 1.125,925 3.259,926 178.941,927 0.125,928 16,929 96.107,931 1,933 15.342,934 5.912,935 2.873,936 1.053,937 121.522,938 9.986,939 8.043,943 1.998,945 65.794,946 365.483,947 33.5,951 12.828,955 -1.501,956 32.993,957 35.671,958 0.397,959 0.694,960 0.816,961 0.95,962 0.975,963 0.975,964 4.781,965 1.238,966 5.666,967 3.527,968 4.263,969 4.92,970 2.913,971 6.524,972 4.069,973 6.041,974 0.803,975 7.263,976 2.825,977 4.007,978 4.902,980 7.516,981 3.632,982 7.382,983 0.066,984 8.959,985 2.084,986 5.905,987 7.245,988 5.027,989 10.646,990 5.543,991 8.759,992 -0.111,993 10.71,994 0.144,995 6.415,996 8.008,998 12.453,999 5.885,1000 10.165,1001 -0.409,1002 12.497,1003 -0.288,1004 7.841,1005 9.863,1006 7.185,1007 15.13,1008 7.324,1009 11.593,1010 -0.627,1011 14.309,1012 -1.09,1013 8.701,1014 11.007,1016 17.294,1017 8.058,1018 13.038,1019 -0.68,1020 16.141,1021 -1.557,1022 9.948,1023 12.661,1024 9.348,1025 19.813,1026 9.298,1027 3.244,1028 -0.937,1029 17.987,1030 -1.7,1031 10.969,1032 13.995,1034 22.134,1035 10.228,1036 2.884,1037 11.549,1038 19.846,1039 -2.372,1040 12.151,1041 15.563,1042 11.511,1043 24.598,1044 11.385,1045 2.569,1046 9.121,1047 21.715,1048 4.61,1049 13.245,1050 16.992,1052 26.987,1053 12.41,1054 2.167,1055 7.853,1056 23.593,1057 3.944,1058 14.406,1059 18.526,1060 13.675,1061 29.434,1062 13.535,1063 2.004,1064 6.343,1065 25.478,1066 3.404,1067 15.534,1068 20.001,1070 31.853,1071 14.605,1072 1.708,1073 5.818,1074 27.369,1075 2.967,1076 16.691,1077 21.524,1078 15.838,1079 34.296,1080 15.72,1081 1.414,1082 5.016,1083 29.265,1084 2.824,1085 17.837,1086 23.022,1088 36.729,1089 16.812,1090 4347,1091 8927,1092 15.433,1093 24.886,1094 36.731,1095 39.439,1096 38.659,1097 36.431,1098 36.194,1099 50.251,1100 5.9,1101 108.558,1102 32.546,1103 5.433,1104 6.914,1105 6.426,1106 5.31,1107 5.244,1108 7.61,1109 5.9,1110 18.997,1111 5.055,1112 12.647,1113 1.53,1114 1.643,1115 1.611,1116 1.518,1117 1.508,1118 2.094,1119 0.246,1120 4.523,1121 1.356,1122 4.095,1123 4.114,1124 4.414,1125 4.07,1126 7.397,1127 4.034,1128 3.889,1129 3.901,1130 4.052,1131 3.845,1132 5.304,1133 3.833,1134 3.482,1135 3.538,1136 3.865,1137 3.358,1138 5.032,1139 3.324,1140 3.254,1141 3.267,1142 3.4,1143 3.202,1144 4.981,1145 3.152,1146 3.069,1147 3.14,1148 3.343,1149 2.816,1150 4.676,1151 2.828,1152 2.878,1153 2.921,1154 3.07,1155 2.787,1156 4.49,1157 2.763,1158 2.778,1159 2.865,1160 2.956,1161 2.603,1162 4.202,1163 2.603,1164 2.648,1165 2.713,1166 2.637,1167 2.462,1168 4.145,1169 2.447,1170 0.195,1171 0.205,1172 0.288,1173 0.174,1174 0.135,1175 4.671,1176 0.192,1177 4.914,1178 0.123,1179 6.908,1180 0.481,1181 4.181,1182 0.127,1183 3.244,1184 4.61,1185 2.95,1186 11.549,1187 3.055,1188 2.03,1189 2.02,1190 2.051,1191 2.117,1192 1.241,1193 2.112,1194 1.859,1195 1.846,1196 1.892,1197 1.911,1198 1.048,1199 1.933,1200 1.391,1201 1.338,1202 1.53,1203 1.619,1204 0.426,1205 1.608,1206 1.151,1207 1.163,1208 1.281,1209 1.386,1210 0.376,1211 1.374,1212 0.946,1213 0.869,1214 1.108,1215 1.153,1216 0.164,1217 1.21,1218 0.867,1219 0.824,1220 1.051,1221 1.017,1222 0.025,1223 1.054,1224 0.74,1225 0.672,1226 0.951,1227 0.997,1229 1.015,1230 0.594,1231 0.515,1232 0.802,1233 0.808,1235 0.842,1236 3.892,1238 5.242,1240 6.797,1242 8.449,1244 10.15,1247 11.868,1250 11.503,1262 23.75,1263 63.478,1264 110.98,1265 130.49,1266 152,1267 156,1268 156,1269 42.499,1270 6.914,1271 94.89,1272 114.1,1273 18,1274 12.442,1275 4.248,1276 3.392,1277 34.293,1278 64,1279 66,1280 0.268,1281 158.434,1282 261.58,1283 378.339,1284 8184,1285 6.3,1286 15.853,1287 0.721,1288 0.61,1289 17.142,1290 13.414,1291 10.469,1292 0.436,1293 0.336,1294 6.255,1295 8.988,1296 5.963,1297 4.908,1298 11.669,1299 8.062,1300 9.873,1301 0.282,1302 0.192,1303 11.494,1304 6.725,1305 8.345,1306 0.178,1307 0.111,1308 10.315,1309 5.196,1310 6.946,1311 0.112,1312 0.06,1313 8.475,1314 3.701,1315 5.579,1316 0.071,1317 0.035,1318 7.218,1319 2.727,1320 0.403,1321 77.358,1322 0.255,1323 21.138,1324 0.786,1325 118,1326 380.917,1327 189.279,1328 457.547,1329 603.06,1330 420,1331 141,1332 380.797,1333 207.947,1334 433.547,1335 633.44,1336 407,1337 4.26}
{0 CHEMBL6693,1 1.738,2 9.12,3 2.966,4 8.798,5 98.443,6 8.985,7 0.786,8 3.801,9 3.894,10 3.681,11 3.475,12 4.997,13 3.436,14 4.274,15 4.378,16 4.024,17 3.873,18 5.706,19 3.827,20 4.523,21 4.659,22 4.147,23 4.033,24 5.807,25 3.967,26 4.614,27 4.751,28 4.173,29 3.993,30 5.989,31 3.931,32 4.608,33 4.774,34 4.015,35 3.881,36 6.131,37 3.821,38 4.482,39 4.679,40 3.735,41 3.722,42 5.757,43 3.647,44 4.282,45 4.474,46 3.514,47 3.562,48 5.643,49 3.496,50 4.152,51 4.371,52 3.231,53 3.4,54 5.296,55 3.316,56 0.109,57 0.605,58 7.771,59 3.592,60 22.151,61 3.425,62 0.253,63 0.941,64 10.469,65 5.888,66 46.846,67 6.439,68 0.211,69 1.195,70 18.877,71 8.218,72 29.7,73 8.352,74 0.361,75 1.268,76 21.556,77 8.791,78 66.397,79 8.774,80 0.622,81 1.252,82 23.313,83 8.321,84 100.057,85 8.195,86 0.387,87 1.035,88 21.752,89 7.988,90 71.284,91 8.673,92 0.36,93 0.893,94 16.837,95 6.048,96 65.271,97 6.588,98 0.263,99 0.754,100 13.021,101 5.167,102 47.736,103 6.245,104 17,105 42,106 0.301,107 0.528,108 0.663,109 0.81,110 0.852,111 0.879,112 3.269,113 0.965,114 -4.99,115 -4.89,116 -4.59,119 46.2,139 10,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 11,169 2,170 3,172 3,173 3,175 1,178 15,180 1,182 9,189 11,193 9,195 1,196 1,197 1,198 4,200 2,201 8,204 4,205 1,206 4,207 7,209 2,210 2,212 2,215 7,218 2,221 8,226 3,229 8,231 3,234 6,236 2,237 2,239 2,241 8,243 2,246 4,251 4,254 6,256 4,260 4,265 4,268 3,270 4,273 838,274 16.634,275 16.634,276 16.634,277 16.634,278 16.634,279 13.824,280 10.641,281 9.525,282 17.091,283 13.818,284 13.818,285 13.818,286 13.818,287 13.818,288 9.541,289 11.922,290 4.492,291 14.603,292 3.548,293 2.236,294 1.455,295 0.603,296 0.359,297 0.205,298 3.962,300 1,301 1,302 1,303 502,304 3.162,307 228.838,311 195.207,314 1.334,315 35.763,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 54,327 228,328 5.031,329 5.359,330 7.748,331 4.46,332 3.578,333 4.984,334 2.95,335 14.066,336 3.171,337 4.493,338 3.32,339 6.645,340 3.98,341 3.019,342 4.419,344 10.47,345 2.915,346 4.325,347 2.905,348 6.158,349 3.798,350 2.821,351 4.207,353 9.097,354 2.685,355 3.616,356 2.703,357 5.476,358 3.13,359 2.205,360 3.061,362 6.544,363 2.032,364 3.441,365 2.162,366 5.062,367 2.954,368 2.006,369 2.848,371 5.821,372 1.899,373 3.256,374 2.078,375 4.963,376 2.753,377 1.794,378 2.579,380 5.336,381 1.711,382 3.118,383 1.618,384 4.445,385 2.618,386 1.618,387 2.427,389 4.372,390 1.618,391 2.954,392 1.501,393 4.228,394 2.437,395 1.448,396 2.158,398 3.638,399 1.428,400 2.823,401 1.332,402 3.681,403 2.29,404 1.298,405 1.967,407 2.94,408 1.286,409 2.551,410 1.129,411 3.613,412 2.037,413 1.061,414 1.548,415 2.655,416 1.033,417 2.156,418 0.728,419 3.201,420 1.649,421 0.652,422 0.978,423 1.532,424 0.649,425 1.285,426 0.411,427 3.023,428 0.827,429 -0.109,430 -0.147,431 -0.284,432 -0.102,433 1.051,434 -0.015,435 2.724,436 0.554,437 -0.385,438 -0.522,439 -1.043,440 -0.355,441 1.032,442 -0.122,443 2.65,444 0.514,445 -0.457,446 -0.648,448 -1.141,449 -0.438,450 1,451 -0.313,452 2.403,453 0.382,454 -0.618,455 -0.827,457 -1.594,458 -0.589,459 12.1,460 0.484,461 0.794,462 0.032,463 40,464 1.6,465 24,466 0.96,467 16,468 0.64,469 15.127,470 0.605,471 25.1,472 0.644,473 30.569,474 1.223,475 7.715,476 0.309,477 4.249,478 0.17,479 0.121,480 0.069,481 0.331,485 0.644,486 0.965,487 0.818,488 0.959,489 0.834,490 0.725,491 0.491,492 0.818,493 0.718,494 0.87,495 0.55,496 0.845,497 0.965,498 1.063,499 1.136,500 1.122,501 0.835,502 0.941,503 1.32,504 1.202,505 1.152,506 1.274,507 1.47,508 1.107,509 1.321,510 0.964,511 1.318,512 1.113,513 1.387,514 1.052,515 1.415,516 0.959,517 1.029,518 0.972,519 1.508,520 0.95,521 1.143,522 0.971,523 1.168,524 1.014,525 1.064,526 1.035,527 1.115,528 0.963,529 0.801,530 0.767,531 1.099,532 1.006,533 6,534 0.074,535 3.778,536 2.75,537 2.231,538 1.139,539 0.607,540 0.354,541 0.221,542 0.091,543 6560,544 19568,545 2.095,546 35.9,548 10,551 4,555 1.685,556 1.935,557 3.148,558 1.776,559 1,560 1,564 67.769,565 1.738,566 3.05,567 3.831,568 4.683,569 4.926,570 5.08,571 2.649,572 4.214,573 4.618,574 3.258,575 977.513,576 8.01,577 11165.4,578 1,579 1,581 1,582 206.131,583 1.643,584 4.557,585 0.214,586 0.009,587 0.09,588 0.06,589 0.052,590 0.03,591 0.02,592 0.014,593 0.011,594 0.006,595 0.506,596 0.17,597 1,598 0.609,599 117.403,600 -0.009,601 0.132,602 0.165,603 0.083,604 -0.248,605 0.124,606 0.307,607 0.192,608 0.113,609 0.075,610 0.236,611 0.02,612 -0.104,613 -0.038,614 -0.049,615 -0.039,617 -0.008,618 -0.084,619 -0.23,620 -0.038,621 -0.195,622 -0.12,623 -0.17,624 0.073,625 0.074,626 -0.204,627 -0.084,628 0.071,629 -0.137,630 -0.179,631 -0.064,632 0.003,633 0.037,634 -0.163,635 0.078,636 -0.068,637 0.01,638 -0.221,639 -0.073,640 0.015,641 -0.073,642 -0.184,643 -0.069,644 -0.05,645 0.058,646 -0.177,648 4.71,649 6.186,650 0.8,651 17.462,652 1.014,653 1.113,654 3.76,655 14.138,656 0.728,657 3.367,658 3.761,659 4.078,660 4.382,661 4.654,662 4.71,663 4.828,664 4.898,665 5.024,666 4.963,667 5.293,668 0.701,669 350.43,670 3.367,671 4.949,672 5.832,673 6.751,674 7.654,675 8.576,676 9.486,677 10.409,678 11.324,679 12.247,680 10.3,684 2,690 2,694 4,695 10,696 2,700 4,702 22,711 2,718 39,719 24,720 3,721 28,723 42,724 18,725 18,726 6,727 10,729 4,730 6,741 18,744 2,747 1,748 2,753 1,754 1,757 14,758 6,759 4,760 7,761 1,764 4,769 0.5,770 2,776 1,781 4,785 2,802 2,804 1,810 25,811 2,813 1,829 5.1,832 2,836 12.917,837 6.9,838 5.278,839 2.089,840 4.532,841 1.601,842 1.077,843 3.514,844 12.078,845 3.738,846 4.489,847 5.165,848 5.831,849 6.477,850 6.834,851 7.296,852 7.673,853 8.132,854 8.274,855 1,856 46,857 9.503,859 4.522,860 7.99,861 17.223,863 14.753,865 2.49,866 62.25,870 117.711,871 118,872 99.365,874 44.313,876 6.046,877 111.954,878 162.024,879 99.365,882 166.603,883 77.884,884 12.964,885 4.227,886 117.711,888 117.711,889 211.319,890 44.313,891 6.046,893 117.711,894 44.313,897 4.043,898 173.705,899 39.617,901 117.711,902 143.678,903 118,905 6.046,906 117.711,907 17.192,908 94.762,910 143.678,911 117.711,912 143.678,913 118,915 0.6,916 0.361,917 0.202,918 0.113,919 23,920 10,921 0.048,922 2,923 2,924 1.2,925 3.539,926 224.867,927 0.2,928 20,929 114.096,932 1,933 15.67,934 5.606,935 2.552,936 2.49,937 143.678,938 17.366,939 7.976,943 0.306,945 65.794,946 379.389,947 41,950 -3.793,951 26.373,956 39.556,957 43.408,958 0.329,959 0.577,960 0.725,961 0.886,962 0.932,963 0.961,964 4.987,965 1.448,966 5.878,967 4.372,968 4.443,969 5.176,970 2.913,971 6.801,972 4.332,973 6.279,974 1.298,975 7.516,976 3.638,977 4.29,978 5.338,980 8.118,981 4.031,982 7.663,983 1.061,984 9.273,985 2.94,986 6.184,987 7.639,988 5.027,989 11.245,990 5.915,991 9.093,992 0.652,993 11.105,994 2.655,995 6.847,996 8.607,998 13.411,999 6.4,1000 10.56,1001 -0.109,1002 12.988,1003 1.532,1004 8.292,1005 10.438,1006 7.185,1007 16.165,1008 7.818,1009 12.054,1010 -0.385,1011 14.906,1012 -0.284,1013 9.304,1014 11.755,1016 18.633,1017 8.659,1018 13.569,1019 -0.457,1020 16.851,1021 -1.043,1022 10.602,1023 13.417,1024 9.348,1025 21.293,1026 9.895,1027 3.578,1028 -0.618,1029 18.816,1030 -1.141,1031 11.757,1032 14.883,1034 23.868,1035 10.894,1036 3.019,1037 14.066,1038 20.797,1039 -1.594,1040 13.014,1041 16.485,1042 11.511,1043 26.509,1044 12.059,1045 2.821,1046 10.47,1047 22.79,1048 4.984,1049 14.227,1050 18.014,1052 29.123,1053 13.129,1054 2.205,1055 9.097,1056 24.793,1057 4.419,1058 15.478,1059 19.598,1060 13.675,1061 31.761,1062 14.268,1063 2.006,1064 6.544,1065 26.803,1066 4.207,1067 16.717,1068 21.156,1070 34.392,1071 15.37,1072 1.794,1073 5.821,1074 28.82,1075 3.061,1076 17.972,1077 22.737,1078 15.838,1079 37.031,1080 16.502,1081 1.618,1082 5.336,1083 30.843,1084 2.848,1085 19.224,1086 24.31,1088 39.669,1089 17.619,1090 6226,1091 10914,1092 18.493,1093 28.387,1094 43.313,1095 44.75,1096 44.485,1097 43.155,1098 42.999,1099 62.351,1100 5.9,1101 132.942,1102 40.852,1103 5.793,1104 7.359,1105 7.435,1106 5.588,1107 5.578,1108 7.984,1109 5.9,1110 22.518,1111 5.171,1112 11.911,1113 1.547,1114 1.598,1115 1.589,1116 1.541,1117 1.536,1118 2.227,1119 0.211,1120 4.748,1121 1.459,1122 4.205,1123 4.195,1124 4.761,1125 4.211,1126 7.715,1127 4.145,1128 4.023,1129 4.05,1130 3.986,1131 3.969,1132 6.999,1133 3.966,1134 3.748,1135 3.727,1136 3.925,1137 3.689,1138 5.303,1139 3.624,1140 3.43,1141 3.492,1142 3.353,1143 3.266,1144 4.981,1145 3.279,1146 3.286,1147 3.309,1148 3.245,1149 3.191,1150 4.883,1151 3.163,1152 3.092,1153 3.2,1154 2.986,1155 2.936,1156 4.671,1157 2.923,1158 3.014,1159 3.064,1160 2.905,1161 2.794,1162 4.273,1163 2.815,1164 2.771,1165 2.864,1166 2.643,1167 2.575,1168 4.152,1169 2.579,1170 0.18,1171 0.191,1172 0.277,1173 0.159,1174 0.128,1175 5.031,1176 0.178,1177 5.359,1178 0.105,1179 7.748,1180 0.502,1181 4.46,1182 0.113,1183 3.578,1184 4.984,1185 2.95,1186 14.066,1187 3.171,1188 2.123,1189 2.128,1190 2.151,1191 2.168,1192 1.357,1193 2.19,1194 2.006,1195 1.988,1196 2.049,1197 2.091,1198 1.205,1199 2.089,1200 1.615,1201 1.629,1202 1.636,1203 1.725,1204 0.806,1205 1.755,1206 1.379,1207 1.32,1208 1.529,1209 1.58,1210 0.455,1211 1.584,1212 1.227,1213 1.216,1214 1.296,1215 1.396,1216 0.425,1217 1.406,1218 1.043,1219 0.994,1220 1.276,1221 1.326,1222 0.321,1223 1.338,1224 0.955,1225 0.87,1226 1.079,1227 1.165,1228 0.043,1229 1.198,1230 0.728,1231 0.655,1232 0.979,1233 1.012,1235 1.022,1236 4.043,1238 5.416,1240 7.004,1242 8.69,1244 10.426,1250 11.533,1262 27.336,1263 67.769,1264 118.937,1265 149.402,1266 182.621,1267 192.131,1268 198.131,1269 46.996,1270 7.546,1271 111.96,1272 120.34,1273 24,1274 12.755,1275 4.644,1276 3.807,1277 35.739,1278 78,1279 80,1280 0.227,1281 170.886,1282 280.61,1283 408.721,1284 18978,1286 17.604,1287 0.704,1288 0.555,1289 17.854,1290 13.864,1291 11.964,1292 0.427,1293 0.322,1294 7.577,1295 10.871,1296 7.296,1297 6.035,1298 12.753,1299 9.006,1300 11.565,1301 0.275,1302 0.18,1303 12.865,1304 7.548,1305 9.783,1306 0.169,1307 0.101,1308 11.086,1309 5.845,1310 8.574,1311 0.109,1312 0.056,1313 9.816,1314 4.402,1315 7.121,1316 0.068,1317 0.031,1318 8.401,1319 3.24,1320 0.342,1321 82.067,1322 0.233,1323 23.609,1324 0.665,1325 140,1326 410.246,1327 190.024,1328 428.906,1329 591.32,1330 394,1331 170,1332 420.077,1333 227.174,1334 465.842,1335 686.02,1336 438,1337 4.82}
{0 CHEMBL6696,1 1.4,2 5.857,3 1.846,4 3.41,5 58.591,6 6.41,7 0.4,8 3.485,9 3.65,10 2.912,11 2.959,12 4.516,13 2.918,14 4.034,15 4.253,16 3.272,17 3.376,18 5,19 3.289,20 4.315,21 4.574,22 3.299,23 3.523,24 5.144,25 3.407,26 4.362,27 4.64,28 3.135,29 3.465,30 5.244,31 3.305,32 4.308,33 4.633,34 2.772,35 3.232,36 5.121,37 3.036,38 3.985,39 4.334,40 2.245,41 2.8,42 4.808,43 2.578,44 3.524,45 3.901,46 1.561,47 2.263,48 4.253,49 2.008,50 2.782,51 3.14,52 1.044,53 1.642,54 3.497,55 1.394,56 0.049,57 0.465,58 7.381,59 2.409,60 7.779,61 3.911,62 0.156,63 0.711,64 12.879,65 4.766,66 18.419,67 7.111,68 0.135,69 0.837,70 17.142,71 5.262,72 14.663,73 8.748,74 0.193,75 0.797,76 18.068,77 5.462,78 26.145,79 9.015,80 0.204,81 0.645,82 17.288,83 4.201,84 25.889,85 7.714,86 0.176,87 0.42,88 12.569,89 2.676,90 24.565,91 5.217,92 0.124,93 0.232,94 7.85,95 1.619,96 15.505,97 3.176,98 0.039,99 0.108,100 3.53,101 0.916,102 6.307,103 1.63,104 11,105 21,106 0.275,107 0.578,108 0.776,109 0.855,110 0.855,111 0.855,112 2.735,113 1.022,114 -3.42,115 -3.41,116 -3.26,119 33.3,120 1,121 4,122 1,140 1,143 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 3,172 3,173 3,175 1,178 7,180 1,182 3,187 1,189 6,191 1,193 3,195 1,196 1,197 1,198 4,200 2,201 2,204 4,205 1,207 3,212 4,218 4,221 2,226 2,231 2,239 1,243 1,251 1,256 1,273 152,274 9.317,275 9.317,276 9.317,277 9.317,278 9.317,279 8.488,280 10.201,281 5.394,282 9.496,283 7.332,284 7.332,285 7.332,286 7.332,287 7.332,288 6.07,289 10.304,290 2.488,291 7.633,292 3.507,293 1.967,294 0.958,295 0.558,296 0.558,297 0.558,298 3.375,301 1,302 1,303 169,304 1.871,307 58.068,311 49.926,314 1.02,315 11.636,318 1,319 0.83,320 0.83,321 1,322 1,323 1,324 1,325 0.95,326 30,327 82,328 4.416,329 3.267,330 6.502,331 4.047,332 3.077,333 4.091,335 10.172,336 2.989,337 3.564,338 2.459,339 5.287,340 3.368,341 2.397,342 2.834,344 6.761,345 2.332,346 3.329,347 2.221,348 5.062,349 2.974,350 2.04,351 2.563,353 5.8,354 1.899,355 3.205,356 2.123,357 4.964,358 2.908,359 1.957,360 2.279,362 5.72,363 1.856,364 2.093,365 1.303,366 3.71,367 1.983,368 1.008,369 1.068,371 2.565,372 0.981,373 1.622,374 0.626,375 2.933,376 1.557,377 0.568,378 0.586,380 0.96,381 0.561,382 1.11,383 0.024,384 2.647,385 0.859,386 -0.091,387 -0.103,389 -0.182,390 -0.086,391 0.847,392 -0.292,393 2.487,394 0.477,395 -0.449,396 -0.553,398 -1.152,399 -0.414,400 0.276,401 -0.551,402 2.132,403 0.152,404 -0.815,405 -0.863,407 -1.992,408 -0.777,409 0.265,410 -0.701,411 1.558,412 0.095,413 -0.867,414 -0.97,415 -2.415,416 -0.847,417 -0.23,418 -1.384,419 1.411,420 -0.505,421 -1.483,422 -1.615,423 -3.906,424 -1.393,425 -0.315,426 -1.427,427 1.113,428 -0.604,429 -1.524,430 -1.902,431 -4.227,432 -1.444,433 -0.5,434 -1.686,435 1,436 -0.84,437 -1.818,438 -2.193,439 -5.211,440 -1.782,441 -0.736,442 -1.821,443 0.743,444 -1,445 -2,446 -2.223,448 -5.999,449 -1.876,450 -0.945,451 -2,452 0.453,453 -1.072,454 -2,455 -3,457 -6.894,458 -2,459 6.6,460 0.471,461 0.383,462 0.027,463 16,464 1.143,465 7,466 0.5,467 9,468 0.643,469 11.231,470 0.802,471 16.2,472 0.54,473 8.183,474 0.584,475 2.605,476 0.186,477 4.098,478 0.293,479 0.197,481 0.379,485 1.17,486 1.377,487 0.995,488 1.127,489 1.303,490 1.05,491 0.321,492 1.057,493 0.81,494 1.156,495 0.287,496 1.063,497 0.929,498 1.187,499 0.96,500 1.097,501 0.732,502 1.041,503 0.822,504 1.174,505 1.085,506 1.247,507 0.794,508 1.208,509 1.234,510 0.983,511 1.092,512 0.971,513 1.337,514 1.006,515 1.432,516 0.813,517 1.114,518 0.814,519 1.437,520 0.907,521 1.448,522 0.492,523 1.021,524 0.549,525 1.387,526 0.703,527 0.812,528 0.796,529 0.849,530 0.836,531 1.011,532 0.846,533 3.5,535 1.556,536 1.063,537 1.098,538 0.292,539 0.141,540 0.059,543 1165,544 2506,545 1.993,546 53.3,547 10,551 4,552 2,555 1.513,556 1.826,557 2.585,558 2.312,562 1,564 41.987,565 1.4,566 2.94,567 3.948,568 4.348,569 4.348,570 4.348,571 2.236,572 3.379,573 3.779,574 2.619,575 238.3,576 6.318,577 1806.92,579 1,582 147.207,583 1.531,584 3.714,585 0.233,587 0.074,588 0.051,589 0.069,590 0.029,591 0.028,592 0.03,595 0.514,596 0.5,597 1,598 1.02,599 51.677,600 -0.175,601 0.008,602 0.01,603 0.089,604 -0.194,605 0.077,606 0.46,607 0.135,608 0.151,609 0.009,610 0.399,611 0.035,612 -0.065,613 -0.119,614 0.001,615 -0.036,616 -0.011,617 -0.013,618 0.064,619 -0.168,620 -0.131,621 -0.236,622 0.076,623 -0.213,624 -0.175,625 -0.115,626 -0.123,627 -0.095,628 -0.212,629 -0.101,630 -0.248,631 -0.015,632 -0.134,633 -0.02,634 -0.205,635 -0.056,636 -0.263,637 0.211,638 -0.045,639 0.188,640 -0.242,641 0.113,642 0.02,643 -0.111,644 0.079,645 0.002,646 0.054,647 0.042,648 1.365,649 1.828,650 0.714,651 6.531,652 0.99,653 1.149,654 2.195,655 4.817,656 0.62,657 2.773,658 3.091,659 3.332,660 3.584,661 3.807,662 3.761,663 3.664,664 3.526,665 3.367,666 2.708,667 3.533,668 0.575,669 192.3,670 2.773,671 4.29,672 5.13,673 6.009,674 6.87,675 7.753,676 8.621,677 9.505,678 10.376,679 11.259,680 13.3,684 2,690 2,696 2,700 4,702 6,711 2,718 30,719 6,721 15,723 31,724 10,725 4,729 2,730 3,734 1,736 3,737 1,739 4,741 4,742 6,743 1,754 1,757 16,758 4,759 4,760 4,764 4,769 0.5,776 1,781 2,785 1,802 1,806 1,810 14,811 2,816 4,820 1,836 7.667,837 5.4,838 3.139,839 1.992,840 1.258,841 1.219,842 0.967,843 2.485,844 7.008,845 2.944,846 3.512,847 4.012,848 4.529,849 4.999,850 5.076,851 5.026,852 5.092,853 5.154,854 4.476,855 1,856 21,857 5.161,858 0.002,859 2.142,860 7.643,861 10.092,862 0.001,863 8.394,864 -0.001,865 2.143,866 30,867 0.008,870 141.253,871 29.133,872 99.365,877 29.133,878 141.253,879 99.365,880 8.825,881 10.138,882 65.794,883 33.571,884 5.942,885 4.227,886 141.253,888 141.253,889 128.498,893 141.253,897 23.619,898 71.308,899 33.571,901 141.253,902 99.365,903 29.133,906 141.253,907 20.307,908 8.825,910 99.365,911 141.253,912 99.365,913 29.133,915 0.581,916 0.343,917 0.187,918 0.106,919 11,920 5,921 0.032,922 1,923 1,924 1.2,925 2.555,926 89.146,927 0.2,928 10,929 53.303,933 9.564,934 3.638,935 1.795,937 99.365,939 8.23,943 3.054,945 65.794,946 269.751,947 18,956 29.709,957 34.484,958 0.285,959 0.599,960 0.805,961 0.886,962 0.886,963 0.886,964 4.182,965 -0.449,966 5.13,967 -0.182,968 3.761,969 4.19,971 5.938,972 3.687,973 5.376,974 -0.815,975 6.691,976 -1.152,977 3.434,978 4.111,980 6.823,981 3.319,982 6.685,983 -0.867,984 8.347,985 -1.992,986 5.352,987 6.341,989 9.9,990 5.214,991 8.025,992 -1.483,993 10.056,994 -2.415,995 5.771,996 7.02,998 11.574,999 5.602,1000 9.394,1001 -1.524,1002 11.799,1003 -3.906,1004 7.213,1005 8.804,1007 14.194,1008 7.022,1009 10.785,1010 -1.818,1011 13.566,1012 -4.227,1013 7.996,1014 9.846,1016 16.229,1017 7.777,1018 12.193,1019 -2,1020 15.352,1021 -5.211,1022 9.243,1023 11.442,1025 18.675,1026 9.001,1027 3.077,1028 -2,1029 17.153,1030 -5.999,1031 10.206,1032 12.666,1034 20.873,1035 9.936,1036 2.397,1037 10.172,1038 18.967,1039 -6.894,1040 11.374,1041 14.172,1043 23.246,1044 11.079,1045 2.04,1046 6.761,1047 20.792,1048 4.091,1049 12.423,1050 15.487,1052 25.514,1053 12.1,1054 1.957,1055 5.8,1056 22.625,1057 2.834,1058 13.561,1059 16.948,1061 27.857,1062 13.211,1063 1.008,1064 5.72,1065 24.465,1066 2.563,1067 14.65,1068 18.308,1070 30.154,1071 14.271,1072 0.568,1073 2.565,1074 26.312,1075 2.279,1076 15.776,1077 19.745,1079 32.484,1080 15.37,1081 -0.091,1082 0.96,1083 28.163,1084 1.068,1085 16.884,1086 21.128,1088 34.794,1089 16.448,1090 1244,1091 1908,1092 9.652,1093 18.591,1094 22.057,1095 22.272,1096 23.315,1097 22.157,1098 22.095,1099 26.845,1101 63.956,1102 21.236,1103 5.361,1104 5.267,1105 6.049,1106 5.119,1107 5.077,1108 7.091,1110 17.066,1111 4.989,1112 7.092,1113 1.47,1114 1.485,1115 1.554,1116 1.477,1117 1.473,1118 1.79,1120 4.264,1121 1.416,1122 3.994,1123 4.043,1124 3.936,1125 3.879,1126 5.282,1127 3.884,1128 3.616,1129 3.69,1130 3.495,1131 3.444,1132 4.978,1133 3.449,1134 3.294,1135 3.388,1136 3.09,1137 3.102,1138 4.466,1139 3.088,1140 3.147,1141 3.254,1142 3.006,1143 2.911,1144 4.137,1145 2.917,1146 2.903,1147 3.027,1148 2.645,1149 2.626,1150 3.835,1151 2.622,1152 2.773,1153 2.89,1154 2.577,1155 2.482,1156 3.641,1157 2.496,1158 2.358,1159 2.518,1160 2.04,1161 1.994,1162 3.356,1163 1.958,1164 2.243,1165 2.4,1166 1.91,1167 1.838,1168 3.038,1169 1.836,1170 0.294,1171 0.218,1172 0.433,1173 0.27,1174 0.205,1175 4.416,1176 0.273,1177 3.267,1179 6.502,1180 0.678,1181 4.047,1182 0.199,1183 3.077,1184 4.091,1186 10.172,1187 2.989,1188 1.95,1189 1.908,1190 2.103,1191 2.089,1192 1.463,1193 2.091,1194 1.583,1195 1.517,1196 1.795,1197 1.797,1198 0.972,1199 1.801,1200 1.297,1201 1.21,1202 1.574,1203 1.542,1204 0.75,1205 1.573,1206 1.102,1207 1.013,1208 1.414,1209 1.406,1210 0.55,1211 1.405,1212 0.875,1213 0.757,1214 1.238,1215 1.22,1216 0.134,1217 1.256,1218 0.731,1219 0.614,1220 1.11,1221 1.066,1222 0.046,1223 1.088,1224 0.367,1225 0.209,1226 0.908,1227 0.756,1229 0.812,1230 0.233,1231 0.061,1232 0.73,1233 0.645,1235 0.695,1236 3.434,1238 4.745,1240 6.271,1242 7.901,1244 9.584,1246 2.212,1250 11.376,1252 4.394,1256 0.733,1262 17.246,1263 41.987,1264 88.187,1265 118.452,1266 130.452,1267 130.452,1268 130.452,1269 17.278,1270 5.749,1271 77.82,1272 77.82,1273 12,1274 11.795,1275 2.807,1276 2,1277 21.224,1278 30,1279 30,1280 0.389,1281 110.302,1282 182.02,1283 260.897,1284 1694,1286 10.129,1287 0.724,1288 0.604,1289 10.129,1290 8.455,1291 6.703,1292 0.447,1293 0.341,1294 5.061,1295 6.501,1296 4.92,1297 4.117,1298 6.703,1299 5.111,1300 6.065,1301 0.289,1302 0.186,1303 6.065,1304 3.909,1305 4.944,1306 0.183,1307 0.111,1308 4.944,1309 3.002,1310 4.142,1311 0.118,1312 0.059,1313 4.142,1314 2.079,1315 3.272,1316 0.074,1317 0.034,1318 3.272,1319 1.501,1320 0.562,1321 41.61,1322 0.322,1323 13.794,1324 1.201,1325 72,1326 167.915,1327 78.383,1328 169.712,1329 237,1330 158,1331 84,1332 183.324,1333 89.662,1334 186.52,1335 271.92,1336 176,1337 5.523}
{0 CHEMBL6708,1 1.75,2 5.214,3 0.873,4 0.762,5 57.966,6 9.53,7 0.733,8 3.251,9 3.4,10 2.989,11 2.76,12 4.581,13 2.78,14 3.636,15 3.788,16 3.408,17 3.137,18 4.993,19 3.13,20 3.834,21 3.997,22 3.582,23 3.252,24 5.184,25 3.239,26 3.856,27 4.034,28 3.496,29 3.136,30 5.291,31 3.077,32 3.697,33 3.938,34 2.805,35 2.778,36 5.019,37 2.662,38 3.386,39 3.717,40 2.13,41 2.207,42 4.49,43 2.038,44 2.747,45 3.088,46 1.179,47 1.613,48 3.686,49 1.324,50 1.681,51 1.979,52 0.331,53 0.669,54 2.833,55 0.587,56 0.11,57 0.371,58 3.164,59 1.284,60 16.586,61 1.472,62 0.158,63 0.527,64 5.311,65 2.643,66 16.863,67 3.303,68 0.221,69 0.568,70 7.45,71 2.677,72 24.145,73 3.191,74 0.312,75 0.481,76 12.726,77 3.26,78 34.711,79 4.086,80 0.285,81 0.374,82 11.246,83 2.637,84 36.298,85 3.364,86 0.236,87 0.216,88 8.775,89 1.743,90 31.363,91 2.629,92 0.126,93 0.084,94 7.813,95 1.551,96 17.655,97 2.278,98 0.045,99 0.034,100 1.058,101 0.096,102 8.02,103 0.128,104 17,105 22,106 0.362,107 0.676,108 0.758,109 0.866,110 0.866,111 0.866,112 2.737,113 0.848,114 -3.09,115 -3.08,116 -2.97,119 36.4,139 2,140 1,141 2,143 1,144 1,147 1,157 3,158 3,159 3,166 1,169 1,170 3,172 3,173 3,175 2,178 2,180 2,182 1,187 3,189 2,191 3,193 3,195 1,196 1,197 1,198 4,200 2,201 1,204 4,205 1,207 1,209 2,210 2,211 1,212 2,214 2,218 2,219 1,226 1,231 1,238 1,240 2,244 1,273 148,274 9,275 9,276 9,277 9,278 9,279 7.538,280 9.421,281 5.083,282 9.281,283 7.352,284 7.352,285 7.352,286 7.352,287 7.352,288 5.225,289 10.467,290 2.382,291 7.893,292 2.71,293 1.194,294 0.796,295 0.273,296 0.273,297 0.273,298 3.369,299 1,301 1,302 1,303 150,304 1.732,307 56.608,311 48.792,314 0.847,315 16.701,318 0.75,319 0.67,320 0.83,321 0.5,323 0.83,324 1,325 0.65,326 30.833,327 73,328 4.648,329 3.394,330 6.82,331 4.152,332 3.202,333 4.613,335 11.156,336 3.03,337 3.869,338 2.716,339 5.673,340 3.402,341 2.487,342 3.378,344 7.352,345 2.263,346 3.452,347 2.142,348 5.085,349 2.973,350 2.031,351 2.86,353 5.847,354 1.905,355 3.355,356 2.06,357 4.979,358 2.893,359 1.955,360 2.676,362 5.671,363 1.825,364 2.696,365 1.741,366 4.142,367 2.225,368 1.325,369 1.766,371 3.387,372 1.14,373 1.584,374 0.653,375 2.881,376 1.161,377 0.268,378 0.335,380 0.602,381 0.221,382 1.194,383 0.186,384 2.817,385 0.721,386 -0.113,387 -0.139,389 -0.293,390 -0.083,391 0.934,392 -0.293,393 2.561,394 0.479,395 -0.438,396 -0.565,398 -1.131,399 -0.401,400 0.473,401 -0.556,402 2,403 0.171,404 -0.758,405 -0.923,407 -1.847,408 -0.695,409 0.034,410 -0.971,411 1.528,412 -0.326,413 -1.275,414 -1.606,415 -3.237,416 -1.026,417 -0.161,418 -1.171,419 1.428,420 -0.586,421 -1.382,422 -1.774,423 -3.79,424 -1.208,425 -0.226,426 -1.408,427 1.253,428 -0.654,429 -1.525,430 -2.051,431 -4.458,432 -1.398,433 -0.353,434 -1.734,435 1.128,436 -0.841,437 -1.776,438 -2.571,439 -5.228,440 -1.697,441 -0.5,442 -2,443 1,444 -1,445 -2,446 -3,448 -6.868,449 -1.874,450 -0.5,451 -2,452 0.706,453 -1.072,454 -2,455 -3,457 -7.163,458 -2,459 6.714,460 0.48,461 0.494,462 0.035,463 21,464 1.5,465 11.5,466 0.821,467 9.5,468 0.679,469 7.58,470 0.541,471 14.886,472 0.677,473 12.659,474 0.904,475 4.153,476 0.297,477 2.44,478 0.174,479 0.285,481 0.447,485 1.183,486 1.109,487 0.597,488 0.534,489 1.441,490 0.564,491 0.471,492 0.966,493 0.499,494 0.776,495 0.447,496 0.722,497 1.129,498 1.3,499 0.841,500 0.883,501 0.96,502 0.854,503 0.939,504 1.311,505 1.4,506 1.539,507 0.843,508 1.337,509 1.306,510 0.962,511 1.485,512 1.337,513 1.317,514 1.426,515 1.087,516 0.642,517 0.816,518 0.731,519 1.241,520 0.962,521 0.746,522 0.409,523 1.426,524 1.135,525 0.545,526 1.03,527 2.389,528 0.237,529 1.266,530 0.338,531 3.484,532 1.067,533 3.5,535 2,536 1.625,537 1.209,538 0.292,539 0.121,543 1089,544 4228,545 1.952,546 36.4,548 2,551 6,555 1.517,556 1.75,557 2.435,558 4.518,562 1,564 38.498,565 1.75,566 3.266,567 3.664,568 4.187,569 4.187,570 4.187,571 1.924,572 3.093,573 3.785,574 2.452,575 223.114,576 6.343,577 1712.71,579 1,582 98.107,583 1.557,584 3.689,585 0.233,587 0.091,588 0.071,589 0.067,590 0.032,591 0.04,595 0.535,596 0.5,597 1,598 0.788,599 50.916,600 -0.412,601 0.122,602 -0.059,603 0.302,604 -0.552,605 0.22,606 0.266,607 0.198,608 0.154,609 0.155,610 0.23,611 0.167,612 -0.216,613 -0.201,614 0.015,615 0.039,616 -0.146,617 0.003,618 0.162,619 -0.362,620 -0.147,621 -0.516,622 0.173,623 -0.396,624 -0.237,625 -0.081,626 -0.416,627 -0.403,628 -0.204,629 -0.487,630 -0.105,631 0.067,632 0.097,633 0.179,634 -0.156,635 0.106,636 0.313,637 0.065,638 0.078,639 0.076,640 0.497,641 0.322,642 -1.193,643 0.606,644 -0.599,645 0.286,646 -1.626,647 -0.293,648 1.546,649 1.847,650 0.714,651 5.51,652 1.027,653 1.148,654 1.856,655 3.443,656 0.7,657 2.773,658 3.135,659 3.401,660 3.664,661 3.829,662 3.784,663 3.638,664 3.466,665 3.332,666 2.639,667 3.282,668 0.681,669 209.66,670 2.773,671 4.317,672 5.176,673 6.075,674 6.952,675 7.854,676 8.735,677 9.637,678 10.521,679 11.421,680 22.7,684 3,690 2,694 2,695 2,696 2,700 4,702 11,711 3,717 1,718 22,719 11,720 1,721 15,723 23,724 8,725 8,726 4,727 2,729 2,730 3,731 1,741 8,754 1,757 8,758 5,759 6,760 6,761 1,764 5,769 0.5,776 1,781 2,785 1,802 1,807 1,810 14,811 3,828 1,836 8,837 3.71,838 3.028,839 1.013,840 2.391,841 1.415,842 1.033,843 2.092,844 8.147,845 3.068,846 3.795,847 4.451,848 5.101,849 5.68,850 5.962,851 6.204,852 6.451,853 6.711,854 6.136,855 0.75,856 23,857 5.071,858 0.002,859 2.157,860 8.079,861 9.21,862 0.001,863 7.328,864 -0.001,865 2.579,866 36.111,867 0.002,870 23.542,871 34.154,872 132.263,873 39.149,877 34.154,878 62.691,879 132.263,882 117.644,883 33.571,884 10.974,885 4.227,886 23.542,887 39.149,888 23.542,889 166.417,891 39.149,893 23.542,897 4.043,898 128.802,899 72.72,901 23.542,902 132.263,903 73.303,906 23.542,907 15.201,908 18.952,910 171.411,911 23.542,912 132.263,913 73.303,915 0.601,916 0.36,917 0.195,918 0.101,919 12,920 6,923 1,924 1.2,925 2.476,926 91.746,927 0.2,928 10,929 53.303,933 9.301,934 3.148,935 1.46,936 1.134,937 132.263,938 3.349,939 7.793,943 1.167,945 98.692,946 229.107,947 20.5,956 22.6,957 25.266,958 0.392,959 0.732,960 0.822,961 0.939,962 0.939,963 0.939,964 4.301,965 -0.438,966 5.209,967 -0.293,968 3.807,969 4.477,971 6.071,972 3.667,973 5.576,974 -0.758,975 6.812,976 -1.131,977 3.611,978 4.559,980 7.081,981 3.382,982 6.93,983 -1.275,984 8.514,985 -1.847,986 5.451,987 6.859,989 10.206,990 5.201,991 8.321,992 -1.382,993 10.27,994 -3.237,995 5.994,996 7.701,998 12.023,999 5.651,1000 9.739,1001 -1.525,1002 12.061,1003 -3.79,1004 7.396,1005 9.542,1007 14.705,1008 7.038,1009 11.178,1010 -1.776,1011 13.877,1012 -4.458,1013 8.281,1014 10.752,1016 16.872,1017 7.842,1018 12.635,1019 -2,1020 15.714,1021 -5.228,1022 9.523,1023 12.408,1025 19.39,1026 9.058,1027 3.202,1028 -2,1029 17.566,1030 -6.868,1031 10.564,1032 13.793,1034 21.704,1035 10.03,1036 2.487,1037 11.156,1038 19.431,1039 -7.163,1040 11.749,1041 15.372,1043 24.158,1044 11.178,1045 2.031,1046 7.352,1047 21.307,1048 4.613,1049 12.858,1050 16.838,1052 26.531,1053 12.226,1054 1.955,1055 5.847,1056 23.191,1057 3.378,1058 14.025,1059 18.386,1061 28.959,1062 13.349,1063 1.325,1064 5.671,1065 25.081,1066 2.86,1067 15.163,1068 19.887,1070 31.356,1071 14.43,1072 0.268,1073 3.387,1074 26.978,1075 2.676,1076 16.325,1077 21.423,1079 33.774,1080 15.543,1081 -0.113,1082 0.602,1083 28.879,1084 1.766,1085 17.477,1086 22.939,1088 36.18,1089 16.639,1090 1178,1091 2385,1092 9.364,1093 15.409,1094 22.808,1095 23.207,1096 24.064,1097 22.652,1098 22.533,1099 31.258,1101 68.031,1102 20.766,1103 5.148,1104 5.394,1105 6.114,1106 5.224,1107 5.202,1108 7.613,1110 18.319,1111 5.03,1112 7.879,1113 1.521,1114 1.547,1115 1.604,1116 1.51,1117 1.502,1118 2.084,1120 4.535,1121 1.384,1122 4.063,1123 4.095,1124 4.128,1125 3.976,1126 5.33,1127 3.985,1128 3.496,1129 3.569,1130 3.575,1131 3.284,1132 5.105,1133 3.315,1134 3.138,1135 3.236,1136 3.262,1137 2.947,1138 4.977,1139 2.952,1140 2.978,1141 3.094,1142 2.923,1143 2.683,1144 4.665,1145 2.709,1146 2.71,1147 2.794,1148 2.802,1149 2.439,1150 4.44,1151 2.449,1152 2.48,1153 2.621,1154 2.317,1155 2.056,1156 4,1157 2.066,1158 2.193,1159 2.317,1160 1.996,1161 1.78,1162 3.578,1163 1.803,1164 1.894,1165 1.998,1166 1.974,1167 1.582,1168 3.147,1169 1.582,1170 0.31,1171 0.226,1172 0.455,1173 0.277,1174 0.213,1175 4.648,1176 0.308,1177 3.394,1179 6.82,1180 0.744,1181 4.152,1182 0.202,1183 3.202,1184 4.613,1186 11.156,1187 3.03,1188 2,1189 1.978,1190 2.036,1191 2.113,1192 1.162,1193 2.096,1194 1.401,1195 1.336,1196 1.536,1197 1.659,1198 0.41,1199 1.634,1200 1.051,1201 0.985,1202 1.281,1203 1.384,1204 0.132,1205 1.367,1206 0.89,1207 0.783,1208 1.202,1209 1.255,1211 1.253,1212 0.628,1213 0.526,1214 0.934,1215 0.928,1217 0.95,1218 0.383,1219 0.23,1220 0.71,1221 0.759,1223 0.772,1224 0.112,1226 0.456,1227 0.466,1229 0.474,1232 0.071,1233 0.153,1235 0.151,1236 3.434,1238 4.779,1240 6.337,1242 8.001,1244 9.718,1247 5.958,1250 16.71,1262 14.988,1263 38.498,1264 71.843,1265 80.598,1266 92.107,1267 92.107,1268 92.107,1269 18.34,1270 5.756,1271 103.84,1272 103.84,1273 12,1274 11.946,1275 3.585,1276 2.7,1277 21.109,1278 28,1279 24,1280 0.419,1281 100.39,1282 157.45,1283 236.711,1284 1672,1285 4.5,1286 10.293,1287 0.735,1288 0.565,1289 10.793,1290 7.915,1291 6.592,1292 0.439,1293 0.283,1294 3.831,1295 6.082,1296 3.728,1297 3.091,1298 6.881,1299 4.238,1300 6.305,1301 0.287,1302 0.146,1303 6.638,1304 3.208,1305 5.178,1306 0.179,1307 0.079,1308 5.655,1309 2.283,1310 4.404,1311 0.116,1312 0.04,1313 4.787,1314 1.503,1315 3.194,1316 0.071,1317 0.019,1318 3.369,1319 0.869,1320 0.593,1321 44.411,1322 0.327,1323 13.543,1324 1.356,1325 74,1326 229.43,1327 96.93,1328 261.447,1329 348.56,1330 240,1331 88,1332 242.032,1333 108.648,1334 257.064,1335 376.81,1336 241,1337 6.18}
{0 CHEMBL6772,1 1.846,2 5.214,3 2.284,4 5.216,5 58.07,6 11.454,7 0.733,8 3.167,9 3.285,10 3.066,11 2.769,12 4.498,13 2.776,14 3.567,15 3.689,16 3.515,17 3.151,18 4.966,19 3.133,20 3.759,21 3.892,22 3.797,23 3.279,24 5.148,25 3.241,26 3.681,27 3.818,28 3.579,29 3.078,30 5.201,31 3.029,32 3.559,33 3.762,34 3.11,35 2.736,36 4.968,37 2.632,38 3.149,39 3.444,40 2.294,41 2.168,42 4.242,43 1.944,44 2.331,45 2.604,46 1.636,47 1.401,48 3.497,49 1.165,50 1.219,51 1.33,52 0.403,53 0.664,54 2.222,55 0.454,56 0.115,57 0.323,58 1.08,59 1.207,60 14.58,61 0.968,62 0.182,63 0.461,64 2.447,65 2.236,66 17.506,67 2.509,68 0.296,69 0.493,70 8.599,71 2.751,72 27.11,73 2.301,74 0.289,75 0.415,76 5.943,77 2.655,78 30.209,79 2.61,80 0.324,81 0.314,82 8.69,83 2.423,84 35.456,85 2.017,86 0.224,87 0.162,88 10.849,89 2.446,90 26.494,91 3.022,92 0.119,93 0.045,94 7.005,95 1.195,96 14.148,97 1.496,98 0.045,99 0.002,100 3.475,101 0.364,102 4.444,103 0.335,104 17,105 22,106 0.391,107 0.703,108 0.787,109 0.872,110 0.872,111 0.872,112 2.737,113 0.903,114 -4.18,115 -4.12,116 -3.89,119 40,139 2,140 1,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 1,169 1,170 3,172 3,173 3,175 1,178 3,180 1,182 1,189 5,193 3,195 1,196 1,197 1,198 4,200 2,201 1,204 4,205 1,207 3,212 3,218 3,226 1,231 1,239 1,243 1,273 148,274 9,275 9,276 9,277 9,278 9,279 7.538,280 8.492,281 5.083,282 9.386,283 7.352,284 7.352,285 7.352,286 7.352,287 7.352,288 5.225,289 9.672,290 2.382,291 8.13,292 2.475,293 1,294 0.6,295 0.2,296 0.2,297 0.2,298 3.369,299 2,301 1,302 1,303 150,304 1.732,307 56.608,311 48.792,314 0.847,315 16.856,318 1,319 0.83,320 1,321 0.4,323 1,324 1,325 0.75,326 30.667,327 73,328 4.648,329 3.474,330 6.82,331 4.143,332 3.202,333 4.613,335 11.156,336 3.003,337 3.869,338 2.837,339 5.673,340 3.356,341 2.487,342 3.378,344 7.352,345 2.109,346 3.452,347 2.282,348 5.085,349 2.967,350 2.031,351 2.86,353 5.847,354 1.899,355 3.355,356 2.065,357 4.979,358 2.865,359 1.955,360 2.676,362 5.671,363 1.708,364 2.696,365 1.927,366 4.142,367 2.216,368 1.325,369 1.766,371 3.387,372 1.133,373 1.584,374 0.826,375 2.881,376 1.062,377 0.268,378 0.335,380 0.602,381 0.174,382 1.194,383 0.259,384 2.817,385 0.709,386 -0.113,387 -0.139,389 -0.293,390 -0.083,391 0.934,392 -0.261,393 2.561,394 0.454,395 -0.438,396 -0.565,398 -1.131,399 -0.38,400 0.473,401 -0.381,402 2,403 0.137,404 -0.758,405 -0.923,407 -1.847,408 -0.596,409 0.034,410 -0.873,411 1.528,412 -0.46,413 -1.275,414 -1.606,415 -3.237,416 -0.921,417 -0.161,418 -1.112,419 1.428,420 -0.586,421 -1.382,422 -1.774,423 -3.79,424 -1.115,425 -0.226,426 -1.408,427 1.253,428 -0.73,429 -1.525,430 -2.051,431 -4.458,432 -1.398,433 -0.353,434 -1.715,435 1.128,436 -0.861,437 -1.776,438 -2.571,439 -5.228,440 -1.66,441 -0.5,442 -2,443 1,444 -1,445 -2,446 -3,448 -6.868,449 -1.874,450 -0.5,451 -2,452 0.706,453 -1.072,454 -2,455 -3,457 -7.163,458 -2,459 7.029,460 0.502,461 0.494,462 0.035,463 20.5,464 1.464,465 11,466 0.786,467 9.5,468 0.679,469 8.361,470 0.597,471 14.571,472 0.729,473 11.878,474 0.848,475 4.003,476 0.286,477 2.589,478 0.185,479 0.317,481 0.427,485 0.968,486 1.097,487 0.503,488 0.479,489 1.217,490 0.511,491 0.531,492 0.837,493 0.515,494 0.618,495 0.475,496 0.636,497 1.16,498 1.155,499 0.802,500 0.694,501 1.016,502 0.73,503 0.86,504 1.318,505 1.079,506 1.344,507 0.784,508 1.259,509 1.31,510 1.027,511 1.375,512 1.376,513 1.507,514 1.461,515 0.901,516 0.648,517 1.087,518 1.054,519 0.983,520 1.111,521 1.044,522 0.429,523 1.769,524 1.488,525 0.844,526 1.259,527 4.329,528 0.108,529 6.142,530 3.77,531 3.63,532 3.024,533 3.5,535 2,536 1.625,537 1.209,538 0.292,539 0.121,543 1089,544 5036,545 1.952,546 30,548 2,551 4,555 1.517,556 1.75,557 2.435,558 2.451,562 1,564 36.929,565 1.846,566 3.322,567 3.722,568 4.122,569 4.122,570 4.122,571 1.924,572 3.093,573 3.785,574 2.452,575 223.114,576 6.343,577 1712.71,579 1,582 86.439,583 1.557,584 3.689,585 0.233,587 0.091,588 0.071,589 0.067,590 0.032,591 0.04,595 0.535,596 0.5,597 1,598 0.788,599 50.916,600 -0.311,601 0.081,602 -0.042,603 0.232,604 -0.462,605 0.178,606 0.189,607 0.272,608 0.089,609 0.177,610 0.204,611 0.153,612 -0.237,613 -0.127,614 0.085,615 0.183,616 -0.19,617 0.087,618 0.13,619 -0.345,620 -0.113,621 -0.45,622 0.211,623 -0.411,624 -0.223,625 -0.127,626 -0.298,627 -0.395,628 -0.343,629 -0.487,630 0.142,631 -0.007,632 0.165,633 0.213,634 0.136,635 0.344,636 0.287,637 0.049,638 -0.018,639 -0.031,640 0.461,641 0.342,642 -1.938,643 0.084,644 -2.732,645 -1.961,646 -1.754,647 -1.555,648 1.548,649 1.84,650 0.714,651 5.51,652 1.041,653 1.136,654 2.947,655 8.682,656 0.763,657 2.773,658 3.135,659 3.401,660 3.664,661 3.829,662 3.784,663 3.638,664 3.466,665 3.332,666 2.639,667 3.282,668 0.74,669 229.08,670 2.773,671 4.317,672 5.176,673 6.075,674 6.952,675 7.854,676 8.735,677 9.637,678 10.521,679 11.421,680 20,684 2,690 2,694 2,695 2,696 2,700 4,702 11,711 2,717 2,718 20,719 11,720 1,721 15,723 21,724 8,725 8,726 4,727 2,729 2,730 3,731 2,741 8,757 6,758 4,759 4,760 6,761 2,764 4,769 0.5,776 1,781 2,785 1,802 1,807 2,810 14,811 2,828 2,836 8,837 3.519,838 3.028,839 0.966,840 2.391,841 1.415,842 1.018,843 2.286,844 8.147,845 3.068,846 3.795,847 4.451,848 5.101,849 5.68,850 5.962,851 6.204,852 6.451,853 6.711,854 6.136,855 0.75,856 23,857 5.071,858 0.002,859 2.159,860 8.087,861 9.203,862 0.001,863 7.323,864 -0.001,865 2.587,866 36.222,867 0.002,870 23.542,871 34.898,872 99.365,873 78.297,877 34.898,878 101.839,879 99.365,882 84.747,883 33.571,884 11.718,885 4.227,886 23.542,887 78.297,888 23.542,889 134.263,891 78.297,893 23.542,897 4.043,898 96.649,899 111.868,901 23.542,902 99.365,903 113.195,906 23.542,907 15.945,908 18.952,910 177.663,911 23.542,912 99.365,913 113.195,915 0.601,916 0.36,917 0.195,918 0.101,919 12,920 6,923 1,924 1.2,925 2.476,926 91.746,927 0.2,928 10,929 53.303,933 9.614,934 3.329,935 1.565,936 1.123,937 99.365,938 3.329,939 7.787,943 1.12,945 65.794,946 236.103,947 20.5,956 20.822,957 22.712,958 0.427,959 0.769,960 0.861,961 0.954,962 0.954,963 0.954,964 4.301,965 -0.438,966 5.209,967 -0.293,968 3.807,969 4.477,971 6.071,972 3.614,973 5.576,974 -0.758,975 6.812,976 -1.131,977 3.611,978 4.559,980 7.081,981 3.275,982 6.93,983 -1.275,984 8.514,985 -1.847,986 5.451,987 6.859,989 10.206,990 5.12,991 8.321,992 -1.382,993 10.27,994 -3.237,995 5.994,996 7.701,998 12.023,999 5.531,1000 9.739,1001 -1.525,1002 12.061,1003 -3.79,1004 7.396,1005 9.542,1007 14.705,1008 6.942,1009 11.178,1010 -1.776,1011 13.877,1012 -4.458,1013 8.281,1014 10.752,1016 16.872,1017 7.726,1018 12.635,1019 -2,1020 15.714,1021 -5.228,1022 9.523,1023 12.408,1025 19.39,1026 8.953,1027 3.202,1028 -2,1029 17.566,1030 -6.868,1031 10.564,1032 13.793,1034 21.704,1035 9.914,1036 2.487,1037 11.156,1038 19.431,1039 -7.163,1040 11.749,1041 15.372,1043 24.158,1044 11.066,1045 2.031,1046 7.352,1047 21.307,1048 4.613,1049 12.858,1050 16.838,1052 26.531,1053 12.106,1054 1.955,1055 5.847,1056 23.191,1057 3.378,1058 14.025,1059 18.386,1061 28.959,1062 13.226,1063 1.325,1064 5.671,1065 25.081,1066 2.86,1067 15.163,1068 19.887,1070 31.356,1071 14.3,1072 0.268,1073 3.387,1074 26.978,1075 2.676,1076 16.325,1077 21.423,1079 33.774,1080 15.408,1081 -0.113,1082 0.602,1083 28.879,1084 1.766,1085 17.477,1086 22.939,1088 36.18,1089 16.497,1090 1178,1091 2601,1092 9.364,1093 15.261,1094 22.808,1095 23.685,1096 24.064,1097 22.657,1098 22.533,1099 31.258,1101 68.031,1102 20.052,1103 5.148,1104 5.474,1105 6.114,1106 5.214,1107 5.202,1108 7.613,1110 18.319,1111 5.003,1112 7.879,1113 1.521,1114 1.579,1115 1.604,1116 1.51,1117 1.502,1118 2.084,1120 4.535,1121 1.337,1122 4.06,1123 4.087,1124 4.19,1125 3.982,1126 5.322,1127 3.988,1128 3.47,1129 3.527,1130 3.675,1131 3.291,1132 5.01,1133 3.311,1134 3.136,1135 3.236,1136 3.398,1137 2.946,1138 4.943,1139 2.951,1140 2.866,1141 2.921,1142 3.095,1143 2.666,1144 4.484,1145 2.672,1146 2.691,1147 2.788,1148 2.922,1149 2.432,1150 4.437,1151 2.44,1152 2.252,1153 2.368,1154 2.395,1155 1.846,1156 3.955,1157 1.851,1158 1.978,1159 2.077,1160 2.03,1161 1.654,1162 3.54,1163 1.656,1164 1.664,1165 1.676,1166 1.975,1167 1.552,1168 3.147,1169 1.482,1170 0.31,1171 0.232,1172 0.455,1173 0.276,1174 0.213,1175 4.648,1176 0.308,1177 3.474,1179 6.82,1180 0.744,1181 4.143,1182 0.2,1183 3.202,1184 4.613,1186 11.156,1187 3.003,1188 1.995,1189 1.976,1190 2.016,1191 2.101,1192 1.16,1193 2.084,1194 1.374,1195 1.321,1196 1.492,1197 1.596,1198 0.401,1199 1.583,1200 1.045,1201 0.979,1202 1.278,1203 1.384,1204 0.103,1205 1.367,1206 0.778,1207 0.713,1208 0.942,1209 0.99,1211 0.995,1212 0.619,1213 0.516,1214 0.874,1215 0.915,1217 0.945,1218 0.144,1219 0.001,1220 0.456,1221 0.491,1223 0.494,1226 0.072,1227 0.19,1229 0.174,1236 3.434,1238 4.779,1240 6.337,1242 8.001,1244 9.718,1247 11.776,1250 11.087,1262 14.794,1263 36.929,1264 66.439,1265 74.439,1266 82.439,1267 82.439,1268 82.439,1269 18.454,1270 5.756,1271 77.82,1272 77.82,1273 12,1274 11.946,1275 3.585,1276 2.7,1277 21.109,1278 28,1279 24,1280 0.419,1281 101.928,1282 161.66,1283 240.465,1284 1672,1285 10,1286 10.293,1287 0.735,1288 0.605,1289 11.293,1290 8.472,1291 6.592,1292 0.439,1293 0.301,1294 3.771,1295 5.839,1296 3.637,1297 2.99,1298 7.17,1299 4.516,1300 6.305,1301 0.287,1302 0.159,1303 7.009,1304 3.508,1305 5.178,1306 0.179,1307 0.09,1308 6.146,1309 2.603,1310 4.404,1311 0.116,1312 0.043,1313 4.982,1314 1.619,1315 3.194,1316 0.071,1317 0.022,1318 3.649,1319 0.984,1320 0.593,1321 47.298,1322 0.327,1323 13.543,1324 1.356,1325 74,1326 246.321,1327 111.422,1328 305.037,1329 395.92,1330 280,1331 88,1332 250.049,1333 122.843,1334 273.911,1335 403.45,1336 257,1337 6.7}
{0 CHEMBL6812,1 1.779,2 10.8,3 3.59,4 12.885,5 100.916,6 9.407,7 0.63,8 3.807,9 3.926,10 3.552,11 3.399,12 5.048,13 3.388,14 4.269,15 4.414,16 3.976,17 3.79,18 5.536,19 3.754,20 4.509,21 4.661,22 4.168,23 3.943,24 5.769,25 3.891,26 4.572,27 4.761,28 3.951,29 3.88,30 5.806,31 3.809,32 4.619,33 4.845,34 3.748,35 3.761,36 5.85,37 3.678,38 4.48,39 4.722,40 3.653,41 3.596,42 5.676,43 3.504,44 4.224,45 4.442,46 3.623,47 3.491,48 5.563,49 3.406,50 4.147,51 4.357,52 3.464,53 3.478,54 5.265,55 3.378,56 0.114,57 0.609,58 5.331,59 2.949,60 15.119,61 3.413,62 0.247,63 0.918,64 10.831,65 5.512,66 26.744,67 6.904,68 0.411,69 1.093,70 20.855,71 6.684,72 47.487,73 7.462,74 0.345,75 1.149,76 19.965,77 7.649,78 38.203,79 9.477,80 0.577,81 1.14,82 23.834,83 7.416,84 70.685,85 8.741,86 0.577,87 0.902,88 25.211,89 7.382,90 79.795,91 9.039,92 0.456,93 0.739,94 17.314,95 5.775,96 62.82,97 7.607,98 0.281,99 0.703,100 14.109,101 5.102,102 36.313,103 6.257,104 37,105 39,106 0.313,107 0.688,108 0.802,109 0.88,110 0.889,111 0.889,112 3.267,113 0.907,114 -5.03,115 -4.93,116 -4.62,119 42.5,120 1,121 1,139 5,140 3,141 3,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 7,169 1,170 4,172 3,173 4,175 4,178 9,180 1,182 4,187 5,189 10,191 1,193 7,195 1,196 1,197 1,198 6,200 2,201 6,204 4,205 1,207 5,210 2,211 1,212 4,214 1,215 6,218 3,221 1,226 2,229 7,231 1,233 2,234 3,236 1,237 1,238 1,239 2,240 1,241 8,243 1,246 2,251 1,254 5,256 1,260 4,262 1,263 1,265 3,268 5,270 3,273 870,274 16.24,275 16.24,276 16.24,277 16.24,278 16.24,279 13.847,280 19.502,281 9.291,282 16.678,283 13.279,284 13.279,285 13.279,286 13.279,287 13.279,288 9.727,289 25.233,290 4.41,291 14.13,292 3.542,293 1.411,294 0.759,295 0.319,296 0.269,297 0.269,298 3.941,299 2,300 1,301 1,302 1,303 573,304 3.082,307 218.782,311 114.396,314 1.584,315 30.036,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 54.167,327 270,328 4.656,329 3.639,330 6.836,331 4.193,332 3.215,333 4.617,334 1.987,335 11.239,336 3.145,337 4.225,338 3.312,339 5.959,340 3.777,341 2.846,342 3.875,343 0.324,344 8.395,345 2.68,346 3.952,347 3.266,348 5.838,349 3.553,350 2.609,351 3.435,353 8.025,354 2.437,355 3.682,356 2.645,357 5.364,358 3.297,359 2.348,360 2.981,362 6.847,363 2.163,364 3.454,365 2.475,366 5.101,367 2.998,368 2.061,369 2.86,371 5.967,372 1.922,373 3.404,374 2.155,375 5.019,376 2.941,377 1.992,378 2.724,380 5.811,381 1.855,382 3.221,383 2.13,384 4.715,385 2.776,386 1.79,387 2.423,389 5.006,390 1.708,391 2.82,392 2.036,393 4.177,394 2.306,395 1.414,396 1.948,398 3.525,399 1.278,400 2.696,401 1.568,402 4.039,403 2.291,404 1.319,405 1.764,407 3.424,408 1.198,409 1.681,410 0.931,411 3.162,412 1.356,413 0.411,414 0.493,415 1.029,416 0.377,417 1.52,418 0.753,419 2.828,420 1.081,421 0.212,422 0.263,423 0.475,424 0.152,425 1.2,426 0.485,427 2.79,428 0.843,429 -0.109,430 -0.135,431 -0.286,432 -0.103,433 1.01,434 0.12,435 2.593,436 0.568,437 -0.301,438 -0.36,439 -0.8,440 -0.235,441 0.959,443 2.377,444 0.493,445 -0.429,446 -0.56,448 -1.111,449 -0.383,450 0.696,451 -0.196,452 2.278,453 0.317,454 -0.641,455 -0.786,457 -1.563,458 -0.536,459 12.262,460 0.49,461 0.826,462 0.033,463 35.25,464 1.41,465 19,466 0.76,467 16.25,468 0.65,469 19.175,470 0.767,471 26.138,472 0.653,473 25.645,474 1.026,475 6.95,476 0.278,477 4.896,478 0.196,479 0.25,481 0.408,485 0.818,486 1.113,487 0.555,488 0.709,489 0.827,490 0.711,491 0.47,492 0.963,493 0.538,494 0.8,495 0.477,496 0.792,497 1.158,498 1.162,499 0.881,500 0.941,501 1.112,502 0.979,503 0.861,504 1.322,505 0.871,506 1.218,507 0.764,508 1.189,509 1.309,510 0.909,511 0.962,512 0.992,513 1.497,514 1.108,515 1.142,516 0.836,517 0.804,518 0.875,519 1.456,520 0.903,521 0.411,522 0.767,523 0.649,524 0.899,525 0.596,526 0.9,527 1.025,528 0.858,529 0.866,530 0.86,531 1.091,532 0.983,533 6.5,534 0.149,535 3.111,536 2.563,537 1.942,538 0.75,539 0.628,540 0.24,541 0.345,542 0.174,543 7023,544 25788,545 1.992,546 37.5,547 3,548 5,551 5,552 2,555 1.677,556 1.807,557 3.379,558 2.647,560 1,564 71.177,565 1.779,566 3.911,567 4.563,568 5.003,569 5.053,570 5.053,571 2.869,572 4.404,573 4.618,574 3.526,575 1057.77,576 7.97,577 12831.2,578 1,579 1,581 1,582 212.877,583 1.554,584 4.541,585 0.241,586 0.009,587 0.08,588 0.063,589 0.054,590 0.027,591 0.026,592 0.01,593 0.016,594 0.008,595 0.534,596 0.17,597 1,598 0.68,599 121.003,600 -0.164,601 0.072,602 -0.019,603 0.122,604 -0.197,605 0.098,606 0.225,607 0.127,608 0.122,609 0.098,610 0.158,611 0.103,612 -0.192,613 -0.1,614 -0.027,615 -0.024,616 -0.169,617 -0.099,618 -0.035,619 -0.314,620 -0.098,621 -0.294,622 0.063,623 -0.244,624 -0.234,625 0.096,626 -0.179,627 -0.088,628 -0.248,629 -0.172,630 -0.023,631 0.046,632 0.081,633 0.117,634 -0.078,635 0.139,636 0.48,637 0.162,638 0.186,639 0.085,640 0.418,641 0.131,642 -0.18,643 0.112,644 -0.047,645 0.104,646 -0.2,647 0.01,648 1.851,649 5.336,650 0.64,651 20.752,652 1.02,653 1.127,654 3.804,655 14.471,656 0.719,657 3.332,658 3.689,659 3.932,660 4.19,661 4.382,662 4.407,663 4.431,664 4.466,665 4.543,666 4.477,667 6.239,668 0.691,669 376.27,670 3.332,671 4.89,672 5.74,673 6.629,674 7.494,675 8.385,676 9.256,677 10.148,678 11.023,679 11.916,680 12.5,684 2,687 1,690 2,694 2,695 5,696 2,700 7,702 17,711 2,717 2,718 40,719 18,720 2,721 27,723 42,724 17,725 14,726 7,727 5,729 3,730 4,731 2,734 1,739 1,741 15,742 2,744 1,748 1,751 1,753 1,754 1,757 15,758 6,759 5,760 8,761 2,764 5,769 0.667,770 1,776 1,781 3,785 1,790 1,802 2,806 1,807 2,810 25,811 2,816 1,817 1,828 2,829 2.5,832 1,836 13.833,837 7.436,838 5.389,839 2.139,840 3.287,841 1.462,842 1.009,843 4.994,844 10.394,845 3.624,846 4.304,847 4.89,848 5.507,849 6.069,850 6.33,851 6.627,852 6.951,853 7.274,854 7.243,855 1,856 41,857 9.169,859 3.922,860 7.976,861 16.957,863 13.699,865 2.476,866 61.889,869 1,870 117.711,871 88.519,872 117.376,873 78.297,874 25.145,877 88.519,878 221.153,879 117.376,880 8.825,881 20.545,882 113.176,883 63.421,884 20.846,885 4.227,886 117.711,887 78.297,888 117.711,889 205.895,890 25.145,891 78.297,893 117.711,894 25.145,897 33.414,898 138.91,899 111.868,901 117.711,902 142.521,903 166.816,906 117.711,907 32.312,908 56.206,909 18.011,910 202.808,911 117.711,912 142.521,913 166.816,915 0.597,916 0.347,917 0.184,918 0.098,919 19,920 10,921 0.071,922 3,923 1,924 1.125,925 3.608,926 204.185,927 0.125,928 16,929 114.096,933 17.736,934 7.039,935 3.789,936 1.298,937 142.521,938 8.596,939 8.123,943 3.43,945 83.805,946 427.048,947 36.5,951 12.336,954 -0.184,956 40.785,957 45.08,958 0.334,959 0.735,960 0.857,961 0.94,962 0.949,963 0.949,964 4.869,965 1.414,966 5.759,967 5.006,968 4.369,969 4.99,970 2.076,971 6.586,972 4.258,973 6.123,974 1.319,975 7.338,976 3.525,977 4.111,978 4.997,979 1.593,980 7.506,981 3.918,982 7.459,983 0.411,984 9.011,985 3.424,986 5.989,987 7.288,988 3.1,989 10.607,990 5.801,991 8.827,992 0.212,993 10.736,994 1.029,995 6.463,996 8.046,997 3.168,998 12.331,999 6.208,1000 10.221,1001 -0.109,1002 12.496,1003 0.475,1004 7.879,1005 9.879,1006 4.312,1007 14.988,1008 7.628,1009 11.635,1010 -0.301,1011 14.281,1012 -0.286,1013 8.701,1014 11.015,1015 4.654,1016 17.091,1017 8.405,1018 13.066,1019 -0.429,1020 16.086,1021 -0.8,1022 9.939,1023 12.661,1024 5.601,1025 19.589,1026 9.639,1027 3.215,1028 -0.641,1029 17.908,1030 -1.111,1031 10.929,1032 13.991,1033 6.091,1034 21.869,1035 10.601,1036 2.846,1037 11.239,1038 19.744,1039 -1.563,1040 12.1,1041 15.558,1042 6.927,1043 24.311,1044 11.763,1045 2.609,1046 8.395,1047 21.592,1048 4.617,1049 13.172,1050 16.986,1051 7.5,1052 26.668,1053 12.814,1054 2.348,1055 8.025,1056 23.451,1057 3.875,1058 14.322,1059 18.521,1060 8.273,1061 29.092,1062 13.951,1063 2.061,1064 6.847,1065 25.319,1066 3.435,1067 15.433,1068 19.998,1069 8.894,1070 31.483,1071 15.046,1072 1.992,1073 5.967,1074 27.194,1075 2.981,1076 16.578,1077 21.523,1078 9.631,1079 33.902,1080 16.178,1081 1.79,1082 5.811,1083 29.076,1084 2.86,1085 17.71,1086 23.024,1087 10.279,1088 36.308,1089 17.294,1090 6890,1091 13334,1092 17.224,1093 28.767,1094 40.882,1095 42.65,1096 42.645,1097 40.604,1098 40.437,1099 54.764,1100 4.622,1101 119.487,1102 37.832,1103 5.526,1104 5.639,1105 6.147,1106 5.264,1107 5.215,1108 7.617,1109 3.497,1110 18.501,1111 5.145,1112 15.503,1113 1.514,1114 1.58,1115 1.579,1116 1.504,1117 1.498,1118 2.028,1119 0.171,1120 4.425,1121 1.401,1122 4.085,1123 4.118,1124 4.122,1125 3.996,1126 7.429,1127 4.006,1128 3.925,1129 3.943,1130 4.047,1131 3.882,1132 5.306,1133 3.872,1134 3.579,1135 3.634,1136 3.587,1137 3.367,1138 5.038,1139 3.399,1140 3.385,1141 3.43,1142 3.409,1143 3.208,1144 4.981,1145 3.222,1146 3.217,1147 3.298,1148 3.386,1149 3.065,1150 4.699,1151 3.055,1152 3.03,1153 3.159,1154 3.117,1155 2.798,1156 4.491,1157 2.779,1158 2.919,1159 2.981,1160 3.084,1161 2.742,1162 4.274,1163 2.75,1164 2.876,1165 2.921,1166 2.825,1167 2.7,1168 4.209,1169 2.713,1170 0.172,1171 0.135,1172 0.253,1173 0.155,1174 0.119,1175 4.656,1176 0.171,1177 3.639,1178 0.074,1179 6.836,1180 0.416,1181 4.193,1182 0.116,1183 3.215,1184 4.617,1185 1.987,1186 11.239,1187 3.145,1188 2.026,1189 2,1190 2.087,1191 2.137,1192 1.24,1193 2.123,1194 1.903,1195 1.887,1196 1.978,1197 1.973,1198 1.158,1199 1.985,1200 1.473,1201 1.425,1202 1.606,1203 1.719,1204 0.69,1205 1.69,1206 1.315,1207 1.267,1208 1.547,1209 1.54,1210 0.621,1211 1.54,1212 1.22,1213 1.15,1214 1.457,1215 1.43,1216 0.426,1217 1.453,1218 0.946,1219 0.827,1220 1.264,1221 1.343,1222 0.164,1223 1.341,1224 0.869,1225 0.824,1226 1.104,1227 1.101,1228 0.077,1229 1.11,1230 0.838,1231 0.786,1232 1.039,1233 1.009,1235 1.049,1236 4.007,1238 5.352,1240 6.887,1242 8.516,1244 10.196,1246 1.84,1247 11.861,1250 11.551,1252 0.169,1253 2.869,1262 27.638,1263 71.177,1264 156.439,1265 182.513,1266 200.122,1267 202.122,1268 202.122,1269 48.138,1270 7.107,1271 106.92,1272 106.92,1273 18,1274 12.446,1275 4.248,1276 3.392,1277 41.946,1278 94,1279 90,1280 0.22,1281 179.947,1282 303.33,1283 430.831,1284 11206,1285 5,1286 18.137,1287 0.725,1288 0.593,1289 19.137,1290 14.819,1291 11.846,1292 0.439,1293 0.302,1294 7.39,1295 10.943,1296 7.116,1297 5.89,1298 12.424,1299 8.166,1300 11.298,1301 0.29,1302 0.164,1303 12.04,1304 6.387,1305 9.087,1306 0.182,1307 0.091,1308 10.002,1309 4.531,1310 7.677,1311 0.118,1312 0.045,1313 8.079,1314 2.927,1315 5.788,1316 0.073,1317 0.024,1318 6.157,1319 1.88,1320 0.347,1321 79.808,1322 0.241,1323 24.299,1324 0.598,1325 132,1326 408.39,1327 173.69,1328 464.198,1329 610.55,1330 428,1331 155,1332 404.939,1333 191.551,1334 432.59,1335 630.7,1336 406,1337 7.77}
{0 CHEMBL6823,1 1.361,2 10.167,3 3.85,4 14.82,5 100.366,6 7.81,7 0.815,8 3.798,9 3.921,10 3.414,11 3.443,12 4.989,13 3.418,14 4.237,15 4.376,16 3.772,17 3.829,18 5.415,19 3.781,20 4.482,21 4.666,22 3.814,23 3.956,24 5.544,25 3.885,26 4.506,27 4.709,28 3.703,29 3.889,30 5.605,31 3.789,32 4.489,33 4.733,34 3.461,35 3.756,36 5.511,37 3.634,38 4.335,39 4.597,40 3.299,41 3.607,42 5.252,43 3.474,44 4.163,45 4.391,46 3.322,47 3.527,48 5.164,49 3.425,50 4.132,51 4.361,52 3.291,53 3.473,54 5.157,55 3.383,56 0.047,57 0.581,58 7.197,59 3.125,60 9.849,61 4.009,62 0.134,63 0.903,64 11.642,65 5.466,66 16.489,67 7.25,68 0.104,69 1.123,70 16.572,71 6.941,72 15.63,73 9.301,74 0.119,75 1.141,76 17.588,77 7.589,78 24.904,79 10.388,80 0.182,81 1.128,82 19.022,83 6.958,84 34.142,85 9.505,86 0.121,87 0.92,88 17.087,89 6.782,90 23.428,91 9.53,92 0.07,93 0.783,94 13.318,95 5.564,96 17.232,97 7.727,98 0.103,99 0.785,100 12.904,101 4.917,102 18.697,103 6.73,104 5,105 38,106 0.235,107 0.501,108 0.667,109 0.819,110 0.869,111 0.895,112 3.229,113 0.855,114 -5.73,115 -5.6,116 -5.22,119 50,134 2,139 10,140 5,143 1,144 1,147 1,157 2,158 2,159 2,166 18,169 1,170 3,172 3,173 3,175 1,178 24,180 1,182 3,187 1,189 22,191 1,193 5,195 1,196 1,197 1,198 5,200 2,201 16,204 5,205 1,207 3,212 4,215 14,218 4,221 2,226 3,229 12,231 3,234 4,239 3,241 11,243 3,246 4,251 3,254 9,256 3,260 4,265 4,268 6,270 4,273 738,274 16.447,275 16.447,276 16.447,277 16.447,278 16.447,279 13.718,280 6.325,281 9.705,282 16.625,283 13.359,284 13.359,285 13.359,286 13.359,287 13.359,288 9.271,289 7.5,290 4.622,291 13.658,292 3.961,293 2.425,294 1.468,295 0.588,296 0.3,297 0.15,298 3.932,300 1,301 1,302 1,303 542,304 2.449,307 225.434,311 192.001,314 1.347,315 13.616,317 1,318 0.75,319 0.83,320 1,321 0.6,323 1,324 1,325 0.74,326 50,327 244,328 4.621,329 3.192,330 6.767,331 4.142,332 3.166,333 4.582,335 11.061,336 3.096,337 4.409,338 2.922,339 6.183,340 3.922,341 2.922,342 4.34,344 9.226,345 2.921,346 3.808,347 2.441,348 5.371,349 3.362,350 2.394,351 3.282,353 6.908,354 2.334,355 3.64,356 2.263,357 5.227,358 3.206,359 2.237,360 3.08,362 6.549,363 2.15,364 3.45,365 2.078,366 5.06,367 2.961,368 2.01,369 2.863,371 5.821,372 1.911,373 3.178,374 1.852,375 4.775,376 2.747,377 1.788,378 2.427,380 5.049,381 1.707,382 3.118,383 1.618,384 4.414,385 2.618,386 1.618,387 2.416,389 4.365,390 1.618,391 2.91,392 1.414,393 3.681,394 2.413,395 1.414,396 2.104,398 3.021,399 1.413,400 2.711,401 1.243,402 3.622,403 2.208,404 1.225,405 1.782,407 2.772,408 1.202,409 2.384,410 0.797,411 3.316,412 1.786,413 0.789,414 1.199,415 1.845,416 0.786,417 2.135,418 0.581,419 3.136,420 1.567,421 0.571,422 0.883,423 1.372,424 0.569,425 1.285,426 -0.004,427 2.729,428 0.836,429 -0.104,430 -0.137,431 -0.272,432 -0.097,433 1.16,434 -0.214,435 2.654,436 0.766,437 -0.221,438 -0.294,439 -0.579,440 -0.218,441 1,442 -0.326,443 2.398,444 0.482,445 -0.466,446 -0.605,448 -1.164,449 -0.437,450 0.882,451 -0.593,452 2.273,453 0.382,454 -0.618,455 -0.917,457 -1.517,458 -0.618,459 11.6,460 0.483,461 0.554,462 0.023,463 37.5,464 1.563,465 22.5,466 0.938,467 15,468 0.625,469 13.969,470 0.582,471 23.2,472 0.58,473 25.742,474 1.073,475 7.51,476 0.313,477 4.194,478 0.175,479 0.069,481 0.345,485 1.129,486 0.909,487 0.783,488 0.748,489 1.33,490 0.733,491 0.366,492 0.844,493 0.783,494 0.941,495 0.437,496 0.912,497 1.015,498 1.014,499 0.97,500 0.981,501 0.876,502 0.973,503 0.647,504 1.192,505 1.034,506 1.236,507 0.631,508 1.188,509 1.445,510 0.956,511 1.238,512 1.022,513 1.447,514 1.091,515 0.834,516 0.837,517 0.935,518 0.912,519 0.89,520 0.93,521 0.711,522 1.011,523 0.874,524 0.998,525 0.73,526 0.962,527 1.202,528 0.977,529 1.008,530 0.933,531 1.149,532 0.947,533 4.5,534 0.074,535 2.444,536 1.75,537 1.493,538 0.5,539 0.365,540 0.229,541 0.23,542 0.174,543 6847,544 17024,545 2.161,546 40,548 12,551 4,555 1.666,556 2.057,557 3.296,558 1.695,560 1,564 54.439,565 1.361,566 2.897,567 3.854,568 4.734,569 5.022,570 5.172,571 2.674,572 4.085,573 4.562,574 3.433,575 947.404,576 7.855,577 11099.1,579 1,581 1,582 212.877,583 1.281,584 4.532,585 0.167,586 0.005,587 0.064,588 0.045,589 0.045,590 0.02,591 0.017,592 0.01,593 0.01,594 0.009,595 0.392,596 0.17,597 0.88,598 0.49,599 114.061,600 -0.181,601 0.148,602 0.011,603 0.143,604 -0.343,605 0.106,606 0.431,607 0.16,608 0.038,609 -0.013,610 0.26,611 -0.025,612 -0.12,613 -0.024,614 -0.073,615 -0.032,616 -0.109,617 -0.044,618 0.189,619 -0.241,620 -0.102,621 -0.264,622 0.241,623 -0.223,624 -0.294,625 0.047,626 -0.229,627 -0.059,628 -0.282,629 -0.122,630 -0.011,631 0.075,632 0.101,633 0.12,634 -0.009,635 0.122,636 0.064,637 -0.088,638 0.104,639 0.011,640 0.105,641 0.052,642 -0.137,643 0.016,644 -0.022,645 0.033,646 -0.148,647 0.02,648 1.476,649 2.036,650 0.833,651 17.313,652 0.993,653 1.112,654 4.503,655 20.275,656 0.715,657 3.332,658 3.664,659 3.951,660 4.248,661 4.477,662 4.489,663 4.533,664 4.644,665 4.779,666 4.745,667 5.928,668 0.681,669 312.4,670 3.332,671 4.875,672 5.733,673 6.619,674 7.489,675 8.378,676 9.253,677 10.142,678 11.018,679 11.908,680 10,684 2,690 2,694 4,695 10,696 2,700 4,702 22,711 2,718 40,719 23,720 3,721 27,723 43,724 20,725 18,726 6,727 10,728 2,729 4,730 6,741 20,744 1,749 2,754 1,757 16,758 4,759 4,760 4,764 4,769 0.5,776 1,781 4,785 2,795 2,802 2,810 24,811 2,836 11.667,837 7.067,838 5.194,839 2.228,840 5.236,841 1.698,842 1.072,843 3.544,844 12.742,845 3.689,846 4.382,847 5.069,848 5.737,849 6.362,850 6.689,851 7.11,852 7.557,853 8.047,854 8.263,855 0.857,856 39,857 8.786,859 3.75,860 7.639,861 16.837,863 13.941,865 2.139,866 51.333,869 1,870 141.253,871 134.176,872 99.365,877 134.176,878 141.253,879 99.365,882 179.509,883 33.571,884 16.234,885 4.227,886 141.253,888 141.253,889 233.542,893 141.253,897 4.043,898 176.975,899 52.524,901 141.253,902 99.365,903 134.176,906 141.253,907 20.461,908 113.715,910 99.365,911 141.253,912 99.365,913 134.176,915 0.583,916 0.344,917 0.198,918 0.107,919 20,920 8,921 0.047,922 2,923 2,924 1.2,925 3.684,926 199.934,927 0.2,928 20,929 110.039,933 14.522,934 5.856,935 2.799,936 4.019,937 99.365,938 20.509,939 8.315,943 2.686,945 65.794,946 374.795,947 39,952 4.097,956 39.709,957 44.484,958 0.256,959 0.544,960 0.724,961 0.89,962 0.944,963 0.972,964 4.902,965 1.414,966 5.714,967 4.365,968 4.344,969 5.069,971 6.526,972 4.303,973 6.143,974 1.225,975 7.268,976 3.021,977 3.892,978 4.913,980 7.416,981 3.821,982 7.464,983 0.789,984 8.921,985 2.772,986 5.932,987 7.409,989 10.537,990 5.857,991 8.825,992 0.571,993 10.636,994 1.845,995 6.293,996 8.101,998 12.29,999 6.196,1000 10.218,1001 -0.104,1002 12.391,1003 1.372,1004 7.803,1005 10.04,1007 14.927,1008 7.7,1009 11.634,1010 -0.221,1011 14.175,1012 -0.272,1013 8.566,1014 11.156,1016 17.051,1017 8.446,1018 13.07,1019 -0.466,1020 15.981,1021 -0.579,1022 9.85,1023 12.85,1025 19.522,1026 9.72,1027 3.166,1028 -0.618,1029 17.805,1030 -1.164,1031 10.811,1032 14.175,1034 21.802,1035 10.663,1036 2.922,1037 11.061,1038 19.642,1039 -1.517,1040 12,1041 15.761,1043 24.217,1044 11.841,1045 2.394,1046 9.226,1047 21.491,1048 4.582,1049 13.054,1050 17.184,1052 26.563,1053 12.876,1054 2.237,1055 6.908,1056 23.35,1057 4.34,1058 14.207,1059 18.723,1061 28.961,1062 14.013,1063 2.01,1064 6.549,1065 25.216,1066 3.282,1067 15.304,1068 20.192,1070 31.334,1071 15.091,1072 1.788,1073 5.821,1074 27.088,1075 3.08,1076 16.444,1077 21.712,1079 33.729,1080 16.212,1081 1.618,1082 5.049,1083 28.966,1084 2.863,1085 17.562,1086 23.201,1088 36.115,1089 17.31,1090 6380,1091 10177,1092 18.493,1093 28.591,1094 40.949,1095 40.153,1096 41.176,1097 40.354,1098 40.268,1099 57.918,1101 115.977,1102 39.413,1103 5.227,1104 5.192,1105 6.454,1106 5.214,1107 5.166,1108 7.582,1110 17.969,1111 5.096,1112 8.716,1113 1.517,1114 1.487,1115 1.525,1116 1.495,1117 1.491,1118 2.145,1120 4.295,1121 1.46,1122 4.115,1123 4.141,1124 4.077,1125 4.069,1126 5.307,1127 4.066,1128 4.036,1129 4.064,1130 4,1131 3.968,1132 4.983,1133 3.974,1134 3.584,1135 3.629,1136 3.512,1137 3.501,1138 4.911,1139 3.496,1140 3.445,1141 3.506,1142 3.365,1143 3.271,1144 4.711,1145 3.292,1146 3.225,1147 3.284,1148 3.121,1149 3.127,1150 4.413,1151 3.117,1152 3.084,1153 3.186,1154 2.962,1155 2.945,1156 4.183,1157 2.936,1158 3.004,1159 3.066,1160 2.872,1161 2.785,1162 4.029,1163 2.804,1164 2.774,1165 2.866,1166 2.642,1167 2.593,1168 3.835,1169 2.596,1170 0.171,1171 0.118,1172 0.251,1173 0.153,1174 0.117,1175 4.621,1176 0.17,1177 3.192,1179 6.767,1180 0.41,1181 4.142,1182 0.115,1183 3.166,1184 4.582,1186 11.061,1187 3.096,1188 2.087,1189 2.069,1190 2.169,1191 2.148,1192 1.299,1193 2.153,1194 2.013,1195 1.99,1196 2.077,1197 2.104,1198 1.2,1199 2.099,1200 1.58,1201 1.545,1202 1.725,1203 1.702,1204 0.786,1205 1.708,1206 1.389,1207 1.328,1208 1.537,1209 1.594,1210 0.496,1211 1.595,1212 1.232,1213 1.185,1214 1.438,1215 1.4,1216 0.425,1217 1.405,1218 1.055,1219 1.005,1220 1.282,1221 1.327,1222 0.343,1223 1.336,1224 0.964,1225 0.87,1226 1.249,1227 1.173,1228 0.104,1229 1.207,1230 0.747,1231 0.673,1232 1.026,1233 1.014,1234 0.009,1235 1.025,1236 4.007,1238 5.333,1240 6.868,1242 8.504,1244 10.191,1250 11.709,1262 27.246,1263 54.439,1264 115.883,1265 154.148,1266 189.367,1267 200.877,1268 206.877,1269 26.934,1270 7.506,1271 77.82,1272 77.82,1273 24,1274 12.44,1275 4.585,1276 3.7,1277 33.979,1278 87,1279 76,1280 0.193,1281 168.019,1282 276.48,1283 401.728,1284 19743,1286 16.518,1287 0.688,1288 0.541,1289 16.518,1290 12.977,1291 11.704,1292 0.433,1293 0.285,1294 7.643,1295 11.502,1296 7.465,1297 6.215,1298 11.704,1299 7.692,1300 10.643,1301 0.28,1302 0.149,1303 10.643,1304 5.648,1305 8.969,1306 0.176,1307 0.079,1308 8.969,1309 4.03,1310 8.04,1311 0.117,1312 0.042,1313 8.04,1314 2.894,1315 6.481,1316 0.074,1317 0.023,1318 6.481,1319 1.971,1320 0.303,1321 71.615,1322 0.233,1323 23.409,1324 0.528,1325 130,1326 313.915,1327 136.383,1328 324.05,1329 461.46,1330 304,1331 154,1332 358.324,1333 159.662,1334 371.12,1335 541.82,1336 351,1337 5.52}
{0 CHEMBL6841,1 1.866,2 10.708,3 3.187,4 10.16,5 98.693,6 10.992,7 0.654,8 3.739,9 3.854,10 3.623,11 3.356,12 4.993,13 3.342,14 4.184,15 4.315,16 4.07,17 3.748,18 5.476,19 3.704,20 4.437,21 4.594,22 4.187,23 3.879,24 5.679,25 3.817,26 4.452,27 4.629,28 4.1,29 3.789,30 5.782,31 3.714,32 4.393,33 4.587,34 3.874,35 3.617,36 5.751,37 3.55,38 4.26,39 4.479,40 3.674,41 3.492,42 5.459,43 3.393,44 4.044,45 4.226,46 3.855,47 3.404,48 5.439,49 3.326,50 3.96,51 4.136,52 3.524,53 3.363,54 5.166,55 3.263,56 0.116,57 0.57,58 2.581,59 2.646,60 14.914,61 2.779,62 0.231,63 0.861,64 5.627,65 4.9,66 23.574,67 5.775,68 0.384,69 1.017,70 18.831,71 6.608,72 42.113,73 6.587,74 0.417,75 0.965,76 24.76,77 7.392,78 43.539,79 8.358,80 0.535,81 0.904,82 17.153,83 6.31,84 66.049,85 6.569,86 0.437,87 0.757,88 26.944,89 6.39,90 56.03,91 6.761,92 0.373,93 0.615,94 16.339,95 5.098,96 46.345,97 6.096,98 0.274,99 0.589,100 14.126,101 4.308,102 33.215,103 4.363,104 26,105 37,106 0.333,107 0.696,108 0.788,109 0.863,110 0.863,111 0.863,112 3.228,113 0.942,114 -4.92,115 -4.82,116 -4.53,117 1,119 43.2,121 1,139 6,140 2,141 3,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 6,169 1,170 4,172 3,173 4,175 3,178 10,180 1,182 2,187 4,189 8,193 6,195 1,196 1,197 1,198 6,200 2,201 3,204 4,205 1,207 6,210 2,211 1,212 4,214 1,215 5,218 2,226 1,229 5,231 1,233 2,234 3,236 1,237 1,238 1,239 2,240 1,241 8,243 1,246 2,251 1,254 6,256 1,260 4,262 1,263 1,265 3,268 1,270 3,273 798,274 15.74,275 15.74,276 15.74,277 15.74,278 15.74,279 13.4,280 18.318,281 9.125,282 16.194,283 12.811,284 12.811,285 12.811,286 12.811,287 12.811,288 9.34,289 22.001,290 4.357,291 13.681,292 3.344,293 1.314,294 0.798,295 0.378,296 0.378,297 0.378,298 3.905,299 1,301 1,302 1,303 548,304 3,307 207.655,311 108.29,314 1.566,315 27.541,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 51.583,327 257,328 4.656,329 3.645,330 6.836,331 4.165,332 3.215,333 4.617,334 1.987,335 11.239,336 3.041,337 4.055,338 3.378,339 5.844,340 3.683,341 2.703,342 3.631,343 0.324,344 8.085,345 2.654,346 3.928,347 2.914,348 5.502,349 3.481,350 2.549,351 3.43,353 7.379,354 2.369,355 3.619,356 2.724,357 5.115,358 3.185,359 2.26,360 2.911,362 6.138,363 2.062,364 3.451,365 2.468,366 5.044,367 2.976,368 2.044,369 2.858,371 5.85,372 1.902,373 3.38,374 2.157,375 4.963,376 2.919,377 1.986,378 2.692,380 5.766,381 1.814,382 3.206,383 2.061,384 4.667,385 2.741,386 1.782,387 2.405,389 4.936,390 1.596,391 2.696,392 1.802,393 4.174,394 2.224,395 1.319,396 1.764,398 3.426,399 1.14,400 2.5,401 1,402 3.414,403 2,404 1,405 1.5,407 2.275,408 1,409 1.678,410 0.908,411 3.145,412 1.306,413 0.397,414 0.48,415 1,416 0.336,417 1.402,418 0.77,419 2.825,420 1.002,421 0.079,422 0.098,423 0.179,424 0.058,425 1.2,426 0.367,427 2.746,428 0.738,429 -0.111,430 -0.137,431 -0.289,432 -0.083,433 1.01,434 0.19,435 2.557,436 0.535,437 -0.393,438 -0.515,439 -1.062,440 -0.335,441 0.737,442 -0.114,443 2.143,444 0.294,445 -0.588,446 -0.681,448 -1.463,449 -0.439,450 0.632,451 -0.307,452 2,453 0.244,454 -0.706,455 -0.918,457 -1.664,458 -0.611,459 12.381,460 0.516,461 0.736,462 0.031,463 34.5,464 1.438,465 19,466 0.792,467 15.5,468 0.646,469 18.177,470 0.757,471 24.219,472 0.655,473 23.529,474 0.98,475 6.622,476 0.276,477 4.813,478 0.201,479 0.257,481 0.363,485 0.865,486 1.06,487 0.481,488 0.6,489 0.852,490 0.647,491 0.473,492 0.973,493 0.562,494 0.767,495 0.496,496 0.827,497 1.219,498 1.113,499 0.982,500 0.943,501 1.168,502 0.97,503 0.881,504 1.208,505 0.866,506 1.183,507 0.798,508 1.14,509 1.409,510 0.909,511 0.541,512 0.892,513 1.619,514 1.045,515 1.396,516 0.822,517 0.991,518 0.946,519 1.49,520 0.971,521 0.554,522 0.837,523 0.704,524 0.985,525 0.683,526 0.94,527 1.439,528 0.846,529 0.983,530 0.952,531 1.391,532 1.081,533 6,534 0.087,535 2.667,536 2.25,537 1.831,538 0.639,539 0.628,540 0.208,541 0.295,542 0.164,543 6358,544 23529,545 2.015,546 35.1,548 6,551 5,552 2,555 1.666,556 1.846,557 3.356,558 2.702,559 1,560 1,564 69.034,565 1.866,566 3.895,567 4.412,568 4.831,569 4.831,570 4.831,571 2.851,572 4.22,573 4.556,574 3.496,575 964.954,576 7.849,577 11326,579 1,581 1,582 192.75,583 1.528,584 4.493,585 0.231,586 0.006,587 0.072,588 0.059,589 0.054,590 0.024,591 0.029,592 0.009,593 0.016,594 0.009,595 0.508,596 0.17,597 1,598 0.663,599 114.48,600 -0.193,601 0.088,602 -0.013,603 0.12,604 -0.212,605 0.107,606 0.233,607 0.097,608 0.032,609 0.033,610 0.138,611 0.011,612 -0.235,613 -0.082,614 -0.098,615 -0.035,616 -0.211,617 -0.087,618 0.126,619 -0.259,620 -0.063,621 -0.257,622 0.165,623 -0.177,624 -0.121,625 0.059,626 -0.032,627 -0.057,628 -0.135,629 -0.126,630 -0.23,631 0.091,632 -0.088,633 0.044,634 -0.21,635 0.059,636 0.486,637 0.062,638 0.101,639 -0.024,640 0.427,641 0.077,642 -0.396,643 0.131,644 -0.151,645 -0.023,646 -0.347,647 -0.143,648 1.853,649 5.23,650 0.667,651 20.188,652 1.022,653 1.123,654 3.689,655 13.605,656 0.743,657 3.296,658 3.638,659 3.871,660 4.143,661 4.344,662 4.344,663 4.394,664 4.419,665 4.5,666 4.419,667 6.084,668 0.711,669 406.69,670 3.296,671 4.844,672 5.687,673 6.572,674 7.432,675 8.32,676 9.188,677 10.078,678 10.952,679 11.843,680 13.5,684 2,687 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,717 2,718 37,719 18,720 2,721 26,722 1,723 39,724 16,725 14,726 6,727 6,729 3,730 4,731 1,739 1,741 15,742 1,744 1,748 1,751 1,754 1,757 13,758 6,759 5,760 8,761 2,764 5,769 0.667,770 1,776 1,781 3,785 1,790 1,802 2,805 1,807 1,810 24,811 2,816 1,817 1,828 2,829 2.7,832 1,836 13,837 6.519,838 5.194,839 1.938,840 3.26,841 1.465,842 1.022,843 4.896,844 10.275,845 3.597,846 4.263,847 4.844,848 5.47,849 6.04,850 6.281,851 6.607,852 6.93,853 7.261,854 7.215,855 1,856 38,857 8.804,859 3.767,860 7.953,861 16.292,863 13.136,865 2.453,866 58.861,870 94.169,871 85.539,872 163.33,873 39.149,874 25.145,877 131.493,878 158.462,879 117.376,881 20.545,882 122.652,883 63.421,884 17.215,885 4.227,886 94.169,887 85.103,888 94.169,889 202.915,890 25.145,891 39.149,892 45.954,893 94.169,894 25.145,897 24.589,898 144.755,899 72.72,900 45.954,901 94.169,902 142.521,903 170.642,906 94.169,907 28.681,908 56.857,909 63.965,910 163.659,911 94.169,912 142.521,913 170.642,915 0.591,916 0.338,917 0.185,918 0.101,919 18,920 9,921 0.077,922 3,923 1,924 1.125,925 3.565,926 192.044,927 0.125,928 16,929 106.039,933 16.957,934 6.93,935 3.801,936 0.989,937 142.521,938 10.865,939 7.98,943 2.831,945 83.805,946 407.331,947 35.5,951 12.23,954 -0.187,956 37.807,957 41.563,958 0.358,959 0.748,960 0.847,961 0.927,962 0.927,963 0.927,964 4.83,965 1.319,966 5.694,967 4.936,968 4.317,969 4.949,970 2.076,971 6.506,972 4.194,973 6.074,974 1,975 7.258,976 3.426,977 4.007,978 4.902,979 1.593,980 7.402,981 3.778,982 7.401,983 0.397,984 8.917,985 2.275,986 5.916,987 7.231,988 3.1,989 10.506,990 5.701,991 8.76,992 0.079,993 10.631,994 1,995 6.347,996 7.95,997 3.168,998 12.236,999 6.032,1000 10.146,1001 -0.111,1002 12.383,1003 0.179,1004 7.784,1005 9.809,1006 4.312,1007 14.899,1008 7.478,1009 11.553,1010 -0.393,1011 14.162,1012 -0.289,1013 8.579,1014 10.923,1015 4.654,1016 17.02,1017 8.185,1018 12.978,1019 -0.588,1020 15.965,1021 -1.062,1022 9.83,1023 12.586,1024 5.601,1025 19.526,1026 9.425,1027 3.215,1028 -0.706,1029 17.787,1030 -1.463,1031 10.809,1032 13.91,1033 6.091,1034 21.821,1035 10.327,1036 2.703,1037 11.239,1038 19.626,1039 -1.664,1040 11.989,1041 15.488,1042 6.927,1043 24.271,1044 11.478,1045 2.549,1046 8.085,1047 21.478,1048 4.617,1049 13.059,1050 16.918,1051 7.5,1052 26.639,1053 12.479,1054 2.26,1055 7.379,1056 23.343,1057 3.631,1058 14.216,1059 18.462,1060 8.273,1061 29.068,1062 13.594,1063 2.044,1064 6.138,1065 25.217,1066 3.43,1067 15.331,1068 19.943,1069 8.894,1070 31.466,1071 14.645,1072 1.986,1073 5.85,1074 27.1,1075 2.911,1076 16.483,1077 21.475,1078 9.631,1079 33.888,1080 15.747,1081 1.782,1082 5.766,1083 28.99,1084 2.858,1085 17.621,1086 22.98,1087 10.279,1088 36.298,1089 16.823,1090 6213,1091 12063,1092 16.819,1093 27.5,1094 39.104,1095 40.634,1096 40.486,1097 38.971,1098 38.668,1099 52.77,1100 4.622,1101 112.548,1102 35.944,1103 5.524,1104 5.645,1105 6.25,1106 5.237,1107 5.215,1108 7.617,1109 3.497,1110 18.501,1111 5.041,1112 13.715,1113 1.504,1114 1.563,1115 1.557,1116 1.499,1117 1.487,1118 2.03,1119 0.178,1120 4.329,1121 1.382,1122 4.073,1123 4.104,1124 6.88,1125 3.986,1126 7.429,1127 3.995,1128 3.918,1129 3.942,1130 4.135,1131 3.881,1132 5.315,1133 3.863,1134 3.57,1135 3.623,1136 3.786,1137 3.367,1138 4.99,1139 3.393,1140 3.365,1141 3.41,1142 3.586,1143 3.206,1144 4.849,1145 3.21,1146 3.136,1147 3.236,1148 3.376,1149 2.945,1150 4.737,1151 2.949,1152 2.935,1153 3.006,1154 3.208,1155 2.783,1156 4.441,1157 2.769,1158 2.854,1159 2.925,1160 2.923,1161 2.735,1162 4.15,1163 2.715,1164 2.753,1165 2.799,1166 2.706,1167 2.581,1168 3.877,1169 2.574,1170 0.179,1171 0.14,1172 0.263,1173 0.16,1174 0.124,1175 4.656,1176 0.178,1177 3.645,1178 0.076,1179 6.836,1180 0.432,1181 4.165,1182 0.117,1183 3.215,1184 4.617,1185 1.987,1186 11.239,1187 3.041,1188 2.005,1189 1.982,1190 2.042,1191 2.117,1192 1.19,1193 2.1,1194 1.909,1195 1.887,1196 1.996,1197 1.982,1198 1.153,1199 1.997,1200 1.465,1201 1.419,1202 1.584,1203 1.708,1204 0.711,1205 1.678,1206 1.299,1207 1.251,1208 1.469,1209 1.511,1210 0.428,1211 1.506,1212 1.046,1213 0.98,1214 1.279,1215 1.384,1216 0.218,1217 1.367,1218 0.886,1219 0.821,1220 1.181,1221 1.115,1222 0.177,1223 1.126,1224 0.869,1225 0.803,1226 1.08,1227 1.062,1229 1.107,1230 0.658,1231 0.614,1232 0.933,1233 0.929,1235 0.95,1236 3.97,1238 5.303,1240 6.828,1242 8.448,1244 10.121,1245 3.359,1247 6.345,1250 11.434,1252 0.232,1253 2.782,1262 26.309,1263 69.034,1264 144.121,1265 163.24,1266 178.75,1267 178.75,1268 178.75,1269 43.766,1270 7.015,1271 106.92,1272 106.92,1273 18,1274 12.374,1275 4.248,1276 3.392,1277 39.434,1278 87,1279 94,1280 0.222,1281 173.936,1282 290.1,1283 416.163,1284 9959,1285 5.4,1286 17.267,1287 0.719,1288 0.614,1289 18.767,1290 14.726,1291 11.436,1292 0.44,1293 0.314,1294 6.992,1295 10.253,1296 6.769,1297 5.581,1298 12.302,1299 8.164,1300 10.79,1301 0.292,1302 0.174,1303 11.94,1304 6.433,1305 8.516,1306 0.181,1307 0.092,1308 9.521,1309 4.319,1310 7.369,1311 0.119,1312 0.046,1313 8.154,1314 2.877,1315 5.692,1316 0.075,1317 0.026,1318 6.455,1319 1.985,1320 0.35,1321 82.54,1322 0.244,1323 23.502,1324 0.606,1325 126,1326 392.841,1327 218.042,1328 455.651,1329 597.54,1330 420,1331 147,1332 390.81,1333 198.572,1334 420.398,1335 612.79,1336 395,1337 7.89}
{0 CHEMBL68673,1 1.62,2 10,3 1.347,4 1.814,5 84.691,6 7.685,7 0.696,8 3.743,9 3.887,10 3.324,11 3.194,12 4.94,13 3.213,14 4.203,15 4.38,16 3.665,17 3.561,18 5.38,19 3.554,20 4.351,21 4.545,22 3.661,23 3.638,24 5.437,25 3.61,26 4.418,27 4.636,28 3.561,29 3.619,30 5.524,31 3.541,32 4.462,33 4.751,34 3.25,35 3.513,36 5.437,37 3.382,38 4.24,39 4.532,40 3.145,41 3.343,42 5.086,43 3.226,44 3.977,45 4.197,46 3.157,47 3.202,48 5.06,49 3.148,50 4.003,51 4.266,52 3.02,53 3.101,54 5.037,55 3.029,56 0.089,57 0.604,58 7.579,59 2.544,60 11.464,61 3.611,62 0.268,63 0.887,64 13.295,65 4.686,66 23.88,67 6.397,68 0.207,69 0.989,70 15.63,71 4.867,72 18.887,73 7.252,74 0.311,75 0.997,76 17.301,77 5.763,78 30.434,79 8.449,80 0.451,81 0.906,82 20.579,83 5.392,84 44.385,85 8.718,86 0.226,87 0.715,88 16.8,89 5.124,90 24.376,91 8.053,92 0.192,93 0.631,94 11.355,95 3.435,96 19.005,97 5.122,98 0.191,99 0.59,100 12.484,101 3.265,102 22.37,103 5.277,104 11,105 32,106 0.292,107 0.691,108 0.808,109 0.847,110 0.847,111 0.847,112 3.103,113 0.84,114 -3.22,115 -3.21,116 -3.08,119 37.8,124 1,125 1,139 4,140 2,141 2,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 3,169 1,170 4,172 3,173 4,175 6,178 2,180 1,182 4,187 4,189 2,191 1,195 1,196 2,197 4,198 1,200 4,201 2,204 1,205 1,210 3,211 1,212 1,214 1,215 4,218 1,226 2,229 2,234 5,238 1,239 4,240 1,243 2,246 5,251 2,256 2,263 1,265 2,270 2,273 545,274 14.248,275 14.248,276 14.248,277 14.248,278 14.248,279 12.298,280 20.35,281 8.311,282 14.719,283 11.282,284 11.282,285 11.282,286 11.282,287 11.282,288 8.297,289 29.917,290 3.87,291 11.957,292 3.59,293 1.371,294 0.723,295 0.507,296 0.507,297 0.507,298 3.783,300 1,301 1,302 1,303 451,304 2.55,306 44.4,307 120.512,310 83.128,314 1.333,315 17.197,318 0.75,319 0.83,320 0.83,321 0.5,323 0.83,324 1,325 0.68,326 46,327 210,328 4.638,329 3.27,330 6.78,331 4.155,332 3.188,333 4.608,334 0.86,335 11.107,336 3.084,337 4.036,338 2.882,339 5.489,340 3.614,341 2.651,342 3.635,343 0.657,344 7.356,345 2.551,346 3.71,347 2.6,348 5.306,349 3.278,350 2.347,351 3.155,353 6.707,354 2.181,355 3.478,356 2.398,357 5.1,358 3.101,359 2.169,360 2.795,362 6.238,363 2.013,364 3.404,365 2.067,366 5.063,367 2.899,368 1.98,369 2.755,371 5.79,372 1.818,373 3.046,374 1.927,375 4.752,376 2.666,377 1.714,378 2.221,380 4.956,381 1.626,382 2.5,383 1.2,384 3.589,385 2,386 1,387 1.5,389 2.275,390 1,391 2.308,392 1,393 3.414,394 1.809,395 0.883,396 1.228,398 2.131,399 0.815,400 1.929,401 0.909,402 3.266,403 1.638,404 0.728,405 0.85,407 1.664,408 0.659,409 1.577,410 0.759,411 2.748,412 1.304,413 0.419,414 0.471,415 0.692,416 0.368,417 1.114,418 0.052,419 2.666,420 0.71,421 -0.214,422 -0.266,423 -0.52,424 -0.197,425 0.914,426 -0.223,427 2.394,428 0.506,429 -0.416,430 -0.53,431 -0.973,432 -0.381,433 0.726,434 -0.319,435 2.066,436 0.354,437 -0.563,438 -0.672,439 -1.269,440 -0.514,441 0.5,442 -0.625,443 2,445 -0.937,446 -1.132,448 -2.379,449 -0.865,450 0.299,451 -1,452 2,453 -0.005,454 -1,455 -1.5,457 -3,458 -1,459 9.733,460 0.463,461 0.503,462 0.024,463 30.5,464 1.452,465 16,466 0.762,467 14.5,468 0.69,469 12.658,470 0.603,471 22.667,472 0.613,473 20.387,474 0.971,475 6.263,476 0.298,477 3.906,478 0.186,479 0.134,481 0.36,485 1.17,486 1.328,487 0.825,488 0.981,489 1.301,490 0.845,491 0.983,492 0.938,493 0.789,494 0.902,495 0.605,496 0.841,497 1.145,498 1.37,499 1.011,500 1.159,501 0.955,502 1.074,503 0.763,504 1.184,505 1.114,506 1.333,507 0.743,508 1.305,509 0.878,510 0.686,511 1.183,512 0.885,513 1.26,514 1.038,515 0.672,516 0.855,517 0.742,518 0.834,519 0.673,520 0.806,521 1.137,522 1.116,523 1.061,524 1.06,525 0.947,526 1.052,527 1.087,528 1.064,529 1.021,530 0.992,531 1.099,532 0.977,533 4.5,534 0.07,535 2.222,536 1.472,537 1.152,538 0.49,539 0.334,540 0.212,541 0.157,542 0.163,543 4542,544 13063,545 2.074,546 43.2,548 9,549 1,551 6,555 1.627,556 1.938,557 3.258,558 3.776,559 1,560 1,562 1,564 59.937,565 1.62,566 3.838,567 4.486,568 4.703,569 4.703,570 4.703,571 2.697,572 3.975,573 4.363,574 3.387,575 711.22,576 7.45,577 7584.35,578 1,579 1,582 192.75,583 1.418,584 4.322,585 0.196,586 0.008,587 0.069,588 0.047,589 0.044,590 0.027,591 0.019,592 0.012,593 0.01,594 0.014,595 0.446,596 0.33,597 1,598 0.819,599 95.643,600 -0.226,601 -0.081,602 0.007,603 0.05,604 -0.319,605 0.079,606 0.079,607 0.191,608 0.107,609 0.128,610 0.212,611 0.111,612 -0.199,613 -0.274,614 -0.111,615 -0.154,616 -0.135,617 -0.122,618 0.104,619 -0.136,620 -0.195,621 -0.341,622 0.12,623 -0.34,624 -0.037,625 0.249,626 -0.181,627 0.031,628 -0.207,629 -0.075,630 0.053,631 -0.014,632 0.268,633 0.185,634 0.085,635 0.256,636 -0.155,637 -0.088,638 -0.121,639 -0.072,640 -0.043,641 -0.091,642 -0.153,643 -0.118,644 -0.028,645 -0.052,646 -0.083,647 -0.012,648 1.503,649 1.914,650 0.714,651 15.76,652 1.01,653 1.143,654 1.993,655 3.974,656 0.657,657 3.178,658 3.497,659 3.761,660 4.025,661 4.174,662 4.22,663 4.22,664 4.277,665 4.304,666 4.331,667 5.657,668 0.635,669 284.36,670 3.178,671 4.71,672 5.557,673 6.435,674 7.298,675 8.182,676 9.052,677 9.939,678 10.814,679 11.704,680 16.2,684 2,685 1,688 1,690 2,694 2,695 5,696 2,697 1,700 5,702 16,711 2,712 1,716 1,718 37,719 16,720 1,721 23,723 39,724 14,725 12,726 2,727 4,729 3,730 4,741 12,742 2,753 1,754 1,757 16,758 6,759 6,760 7,764 6,769 0.667,770 1,776 1,777 1,780 1,781 2,784 1,802 2,806 1,810 21,811 2,816 1,817 1,818 1,829 2.7,834 1,836 10.833,837 6.65,838 4.667,839 1.86,840 3.095,841 1.454,842 1.024,843 3.747,844 9.913,845 3.466,846 4.123,847 4.75,848 5.369,849 5.846,850 6.102,851 6.365,852 6.702,853 6.805,854 7.025,855 0.857,856 31,857 7.662,859 3.189,860 7.77,861 14.435,863 11.47,865 2.27,866 47.667,870 117.711,871 79.642,872 134.162,874 11,877 79.642,878 128.711,879 134.162,880 10.883,881 2.106,882 112.747,883 53.297,884 41.544,885 15.998,886 105.94,888 117.711,889 213.804,890 11,893 117.711,894 11,897 22.506,898 139.716,899 51.582,901 117.711,902 145.162,903 79.642,906 117.711,907 21.807,908 57.835,909 34.796,910 110.365,911 117.711,912 145.162,913 79.642,915 0.58,916 0.342,917 0.186,918 0.095,919 16,920 7,921 0.103,922 4,923 1,924 1.133,925 3.387,926 158.222,927 0.133,928 15,929 88.239,933 13.823,934 5.692,935 2.827,936 1.441,937 128.376,938 9.55,939 8.114,940 3.053,943 3.334,945 100.591,946 342.515,947 31,956 37.356,957 42.275,958 0.311,959 0.737,960 0.861,961 0.903,962 0.903,963 0.903,964 4.682,965 0.883,966 5.541,967 2.275,968 4.174,969 4.808,970 1.207,971 6.344,972 4.068,973 5.908,974 0.728,975 7.094,976 2.131,977 3.761,978 4.691,980 7.239,981 3.619,982 7.227,983 0.419,984 8.744,985 1.664,986 5.759,987 7.101,988 0.903,989 10.332,990 5.569,991 8.585,992 -0.214,993 10.453,994 0.692,995 6.155,996 7.827,998 12.102,999 5.939,1000 9.975,1001 -0.416,1002 12.201,1003 -0.52,1004 7.626,1005 9.708,1006 0.678,1007 14.733,1008 7.373,1009 11.388,1010 -0.563,1011 13.979,1012 -0.973,1013 8.411,1014 10.845,1016 16.889,1017 8.135,1018 12.821,1019 -0.937,1020 15.781,1021 -1.269,1022 9.675,1023 12.512,1024 0.512,1025 19.372,1026 9.368,1027 3.188,1028 -1,1029 17.602,1030 -2.379,1031 10.652,1032 13.855,1034 21.686,1035 10.321,1036 2.651,1037 11.107,1038 19.441,1039 -3,1040 11.836,1041 15.433,1042 0.387,1043 24.119,1044 11.476,1045 2.347,1046 7.356,1047 21.294,1048 4.608,1049 12.906,1050 16.875,1052 26.491,1053 12.519,1054 2.169,1055 6.707,1056 23.159,1057 3.635,1058 14.064,1059 18.419,1060 0.293,1061 28.908,1062 13.647,1063 1.98,1064 6.238,1065 25.033,1066 3.155,1067 15.177,1068 19.906,1070 31.302,1071 14.731,1072 1.714,1073 5.79,1074 26.916,1075 2.795,1076 16.328,1077 21.437,1078 0.221,1079 33.713,1080 15.852,1081 1,1082 4.956,1083 28.804,1084 2.755,1085 17.463,1086 22.945,1088 36.116,1089 16.956,1090 4438,1091 7627,1092 15.315,1093 24.296,1094 34.297,1095 34.546,1096 35.432,1097 34.146,1098 34.158,1099 46.438,1100 3.035,1101 97.836,1102 32.232,1103 5.473,1104 5.27,1105 6.335,1106 5.227,1107 5.188,1108 7.608,1109 1.72,1110 17.998,1111 5.084,1112 9.991,1113 1.491,1114 1.502,1115 1.541,1116 1.485,1117 1.485,1118 2.019,1119 0.132,1120 4.254,1121 1.401,1122 4.111,1123 4.158,1124 4.083,1125 3.973,1126 5.322,1127 3.994,1128 3.901,1129 3.93,1130 3.844,1131 3.813,1132 4.982,1133 3.817,1134 3.463,1135 3.543,1136 3.387,1137 3.223,1138 4.88,1139 3.255,1140 3.293,1141 3.368,1142 3.166,1143 3.006,1144 4.768,1145 3.034,1146 3.141,1147 3.244,1148 2.993,1149 2.853,1150 4.428,1151 2.867,1152 3.062,1153 3.185,1154 2.876,1155 2.742,1156 4.114,1157 2.77,1158 2.854,1159 2.925,1160 2.687,1161 2.735,1162 3.933,1163 2.715,1164 2.684,1165 2.763,1166 2.514,1167 2.517,1168 3.674,1169 2.506,1170 0.202,1171 0.142,1172 0.295,1173 0.181,1174 0.139,1175 4.638,1176 0.2,1177 3.27,1178 0.037,1179 6.78,1180 0.483,1181 4.155,1182 0.134,1183 3.188,1184 4.608,1185 0.86,1186 11.107,1187 3.084,1188 1.895,1189 1.867,1190 2.001,1191 2.026,1192 1.121,1193 2.013,1194 1.815,1195 1.781,1196 1.867,1197 1.985,1198 1.009,1199 1.958,1200 1.55,1201 1.486,1202 1.706,1203 1.765,1204 0.731,1205 1.757,1206 1.213,1207 1.142,1208 1.568,1209 1.535,1210 0.573,1211 1.54,1212 1.091,1213 0.99,1214 1.358,1215 1.423,1216 0.372,1217 1.419,1218 0.969,1219 0.863,1220 1.264,1221 1.359,1222 0.218,1223 1.346,1224 0.886,1225 0.821,1226 1.181,1227 1.107,1228 0.058,1229 1.11,1230 0.796,1231 0.698,1232 1.076,1233 1.062,1235 1.107,1236 3.85,1238 5.165,1239 2.398,1240 6.673,1241 4.727,1242 8.274,1243 6.843,1244 9.924,1246 1.642,1250 11.49,1252 0.601,1253 3.314,1254 5.126,1262 23.477,1263 59.937,1264 142.021,1265 165.995,1266 173.995,1267 173.995,1268 173.995,1269 24.788,1270 6.818,1271 114.87,1272 114.87,1273 17,1274 12.236,1275 4.087,1276 3.17,1277 32.401,1278 71,1279 78,1280 0.227,1281 147.153,1282 237.29,1283 350.814,1284 7752,1286 14.82,1287 0.706,1288 0.55,1289 14.82,1290 11.551,1291 10.169,1292 0.442,1293 0.28,1294 6.311,1295 9.678,1296 6.164,1297 5.147,1298 10.169,1299 6.44,1300 9.101,1301 0.284,1302 0.143,1303 9.101,1304 4.587,1305 7.623,1306 0.181,1307 0.077,1308 7.623,1309 3.232,1310 6.522,1311 0.119,1312 0.04,1313 6.522,1314 2.19,1315 4.794,1316 0.075,1317 0.021,1318 4.794,1319 1.325,1320 0.357,1321 64.432,1322 0.256,1323 20.967,1324 0.614,1325 110,1326 324.316,1327 122.759,1328 317.791,1329 441.81,1330 298,1331 129,1332 335.531,1333 141.15,1334 341.767,1335 496.21,1336 320,1337 4.201}
{0 CHEMBL6877,1 1.841,2 9.238,3 4.402,4 19.38,5 90.755,6 10.879,7 0.739,8 3.574,9 3.673,10 3.501,11 3.287,12 4.83,13 3.238,14 3.993,15 4.1,16 3.95,17 3.689,18 5.289,19 3.605,20 4.213,21 4.34,22 4.115,23 3.817,24 5.465,25 3.694,26 4.134,27 4.285,28 3.874,29 3.661,30 5.366,31 3.518,32 4.067,33 4.256,34 3.708,35 3.498,36 5.216,37 3.368,38 3.998,39 4.223,40 3.389,41 3.39,42 5.007,43 3.238,44 3.822,45 4.022,46 3.455,47 3.237,48 4.964,49 3.125,50 3.633,51 3.791,52 3.309,53 3.056,54 4.908,55 2.958,56 0.091,57 0.467,58 2.301,59 2.13,60 11.719,61 2.056,62 0.162,63 0.713,64 4.545,65 3.831,66 15.895,67 4.384,68 0.293,69 0.86,70 19.163,71 6.147,72 25.24,73 5.442,74 0.253,75 0.793,76 16.752,77 5.661,78 26.716,79 5.556,80 0.239,81 0.765,82 13.322,83 4.839,84 24.831,85 4.811,86 0.193,87 0.648,88 14.183,89 5.568,90 21.678,91 6.492,92 0.176,93 0.509,94 12.638,95 4.279,96 17.6,97 5.209,98 0.195,99 0.443,100 11.423,101 3.223,102 19.731,103 2.711,104 17,105 33,106 0.342,107 0.628,108 0.733,109 0.874,110 0.898,111 0.898,112 3.103,113 0.986,114 -5.55,115 -5.42,116 -5.06,119 45.2,139 6,140 1,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 3,172 3,173 3,175 1,178 9,180 1,182 3,187 1,189 10,191 1,193 1,195 1,196 1,197 1,198 3,200 2,201 6,204 3,205 1,207 3,212 4,215 7,218 4,229 4,234 4,239 3,241 4,243 3,246 2,251 1,254 2,256 1,260 2,265 3,270 3,273 520,274 13.826,275 13.826,276 13.826,277 13.826,278 13.826,279 11.66,280 11.985,281 7.96,282 14.425,283 11.339,284 11.339,285 11.339,286 11.339,287 11.339,288 8.151,289 11.246,290 3.812,291 12.497,292 3.114,293 1.581,294 1.016,295 0.258,296 0.129,297 0.129,298 3.781,299 2,301 1,302 1,303 415,304 2.236,307 166.792,311 87.392,314 1.392,315 18.592,318 0.75,319 1,320 1,321 0.4,323 1,324 1,325 0.74,326 44.667,327 194,328 4.543,329 4.556,330 6.503,331 4.045,332 3.082,333 4.492,334 2.95,335 10.179,336 2.97,337 4.222,338 3.338,339 5.959,340 3.725,341 2.838,342 3.875,344 8.395,345 2.466,346 3.801,347 3.135,348 5.483,349 3.339,350 2.461,351 3.254,353 7.272,354 2.154,355 3.5,356 2.928,357 5.07,358 3.029,359 2.13,360 2.844,362 6.061,363 1.893,364 3.424,365 2.216,366 5.046,367 2.946,368 2.005,369 2.811,371 5.796,372 1.844,373 3.262,374 2.143,375 4.878,376 2.778,377 1.846,378 2.563,380 5.478,381 1.663,382 2.82,383 2.061,384 4.041,385 2.306,386 1.414,387 1.948,389 3.523,390 1.198,391 2.452,392 1.117,393 3.709,394 1.981,395 1.007,396 1.432,398 2.565,399 0.978,400 1.658,401 1.056,402 3.084,403 1.215,404 0.381,405 0.465,407 0.935,408 0.291,409 1.392,410 0.779,411 2.704,412 0.9,413 0.076,414 0.096,415 0.178,416 0.055,417 0.998,418 0.393,419 2.535,420 0.507,421 -0.334,422 -0.415,423 -0.899,424 -0.252,425 0.897,426 -0.132,427 2.383,428 0.432,429 -0.46,430 -0.587,431 -1.183,432 -0.411,433 0.663,434 -0.24,435 2.349,436 0.183,437 -0.713,438 -0.907,439 -1.857,440 -0.516,441 0.515,442 -0.307,443 2.083,444 0.145,445 -0.815,446 -1.099,448 -2.26,449 -0.778,450 0.321,451 -0.727,452 1.645,453 -0.102,454 -1,455 -1.302,457 -2.713,458 -0.829,459 10.862,460 0.517,461 0.647,462 0.031,463 31,464 1.476,465 17.5,466 0.833,467 13.5,468 0.643,469 14.482,470 0.69,471 20.938,472 0.675,473 19.632,474 0.935,475 5.923,476 0.282,477 4.102,478 0.195,479 0.205,481 0.368,485 0.874,486 0.891,487 0.563,488 0.557,489 1.119,490 0.579,491 0.505,492 0.775,493 0.63,494 0.715,495 0.44,496 0.729,497 1.087,498 1.092,499 1.158,500 1.169,501 0.898,502 1,503 0.935,504 1.088,505 1.057,506 1.194,507 0.904,508 1.194,509 0.831,510 1.107,511 0.678,512 1.003,513 1.119,514 1.102,515 0.628,516 0.883,517 0.708,518 0.903,519 0.736,520 0.966,521 0.887,522 1.056,523 0.839,524 0.863,525 0.726,526 0.887,527 1.84,528 1.219,529 1.572,530 1.206,531 1.681,532 1.14,533 5.5,534 0.062,535 2.444,536 1.625,537 1.471,538 0.41,539 0.505,540 0.233,541 0.23,542 0.164,543 4343,544 16881,545 2.045,546 32.3,548 6,551 4,555 1.629,556 1.881,557 3.187,558 1.968,560 1,564 57.058,565 1.841,566 3.373,567 3.938,568 4.696,569 4.825,570 4.825,571 2.684,572 4.202,573 4.366,574 3.297,575 692.423,576 7.464,577 7269.97,579 1,581 1,582 153.58,583 1.51,584 4.305,585 0.239,586 0.009,587 0.074,588 0.049,589 0.057,590 0.02,591 0.028,592 0.013,593 0.015,594 0.014,595 0.517,596 0.17,597 0.88,598 0.665,599 94.754,600 -0.205,601 0.174,602 -0.017,603 0.18,604 -0.356,605 0.133,606 0.197,607 0.245,608 0.067,609 0.136,610 0.216,611 0.073,612 -0.155,613 -0.05,614 -0.118,615 -0.093,616 -0.067,617 -0.098,618 -0.076,619 -0.078,620 -0.12,621 -0.167,622 -0.015,623 -0.255,624 -0.068,625 -0.096,626 0.085,627 -0.042,628 -0.229,629 -0.125,630 0.064,631 0.003,632 0.12,633 0.127,634 0.029,635 0.179,636 0.054,637 -0.219,638 0.142,639 0.086,640 0.183,641 0.21,642 -0.525,643 -0.201,644 -0.397,645 -0.25,646 -0.463,647 -0.237,648 1.495,649 1.907,650 0.762,651 15.179,652 1.021,653 1.112,654 4.32,655 18.664,656 0.788,657 3.178,658 3.526,659 3.761,660 4.007,661 4.248,662 4.248,663 4.317,664 4.394,665 4.533,666 4.5,667 5.373,668 0.743,669 337.25,670 3.178,671 4.727,672 5.572,673 6.454,674 7.314,675 8.196,676 9.062,677 9.943,678 10.813,679 11.694,680 12.9,684 2,690 2,694 2,695 6,696 2,700 6,702 17,711 2,717 2,718 31,719 17,720 2,721 23,723 33,724 14,725 14,726 6,727 6,729 3,730 4,731 2,741 14,754 1,757 10,758 4,759 4,760 7,761 3,764 4,769 0.667,776 1,781 3,785 1,802 2,803 1,804 1,807 2,810 21,811 2,819 1,828 2,836 11.167,837 5.519,838 4.5,839 1.598,840 3.361,841 1.49,842 1.034,843 4.018,844 10.217,845 3.481,846 4.174,847 4.777,848 5.39,849 5.995,850 6.242,851 6.603,852 7.019,853 7.476,854 7.635,855 1,856 33,857 7.653,859 3.254,860 7.852,861 14.319,863 11.653,865 2.352,866 49.389,870 70.627,871 108.124,872 99.365,873 78.297,876 32.22,877 75.904,878 148.924,879 99.365,882 122.652,883 33.571,884 14.82,885 4.227,886 102.846,887 78.297,888 70.627,889 175.27,891 110.517,893 70.627,897 4.043,898 137.655,899 111.868,900 32.22,901 70.627,902 99.365,903 186.421,906 70.627,907 51.266,908 56.857,910 177.663,911 70.627,912 99.365,913 186.421,915 0.595,916 0.342,917 0.177,918 0.099,919 17,920 8,921 0.061,922 2,923 1,924 1.125,925 3.309,926 161.312,927 0.125,928 16,929 92.239,930 1,933 14.569,934 5.792,935 3.124,936 1.493,937 99.365,938 11.237,939 8.121,943 3.587,945 65.794,946 356.413,947 31.5,956 31.665,957 34.462,958 0.372,959 0.681,960 0.795,961 0.948,962 0.974,963 0.974,964 4.712,965 1.007,966 5.58,967 3.523,968 4.205,969 4.86,970 2.913,971 6.382,972 4.02,973 5.962,974 0.381,975 7.14,976 2.565,977 3.892,978 4.808,980 7.222,981 3.551,982 7.291,983 0.076,984 8.791,985 0.935,986 5.802,987 7.164,988 5.027,989 10.293,990 5.472,991 8.652,992 -0.334,993 10.491,994 0.178,995 6.217,996 7.861,998 11.901,999 5.746,1000 10.038,1001 -0.46,1002 12.223,1003 -0.899,1004 7.653,1005 9.736,1006 7.185,1007 14.507,1008 7.201,1009 11.442,1010 -0.713,1011 13.977,1012 -1.183,1013 8.417,1014 10.814,1016 16.479,1017 7.863,1018 12.862,1019 -0.815,1020 15.748,1021 -1.857,1022 9.657,1023 12.477,1024 9.348,1025 18.904,1026 9.108,1027 3.082,1028 -1,1029 17.532,1030 -2.26,1031 10.596,1032 13.758,1034 21.055,1035 9.977,1036 2.838,1037 10.179,1038 19.327,1039 -2.713,1040 11.753,1041 15.322,1042 11.511,1043 23.408,1044 11.127,1045 2.461,1046 8.395,1047 21.132,1048 4.492,1049 12.777,1050 16.708,1052 25.644,1053 12.103,1054 2.13,1055 7.272,1056 22.946,1057 3.875,1058 13.9,1059 18.23,1060 13.675,1061 27.971,1062 13.212,1063 2.005,1064 6.061,1065 24.766,1066 3.254,1067 14.967,1068 19.669,1070 30.248,1071 14.242,1072 1.846,1073 5.796,1074 26.593,1075 2.844,1076 16.078,1077 21.172,1078 15.838,1079 32.565,1080 15.334,1081 1.414,1082 5.478,1083 28.425,1084 2.811,1085 17.166,1086 22.639,1088 34.862,1089 16.392,1090 4252,1091 8505,1092 15.027,1093 24.432,1094 34.754,1095 38.117,1096 35.895,1097 34.613,1098 34.482,1099 47.558,1100 5.9,1101 100.762,1102 31.023,1103 5.299,1104 6.556,1105 5.819,1106 5.17,1107 5.082,1108 7.492,1109 5.9,1110 17.073,1111 4.97,1112 11.346,1113 1.511,1114 1.657,1115 1.561,1116 1.505,1117 1.499,1118 2.068,1119 0.257,1120 4.381,1121 1.349,1122 4.062,1123 4.092,1124 4.191,1125 4.005,1126 5.307,1127 3.993,1128 3.877,1129 3.888,1130 4.031,1131 3.844,1132 5.038,1133 3.829,1134 3.456,1135 3.516,1136 3.708,1137 3.319,1138 4.982,1139 3.311,1140 3.132,1141 3.237,1142 3.4,1143 2.975,1144 4.683,1145 2.941,1146 2.955,1147 2.976,1148 3.273,1149 2.871,1150 4.49,1151 2.861,1152 2.877,1153 2.921,1154 3.023,1155 2.789,1156 4.259,1157 2.761,1158 2.741,1159 2.81,1160 2.892,1161 2.576,1162 4.104,1163 2.572,1164 2.667,1165 2.77,1166 2.498,1167 2.386,1168 3.805,1169 2.401,1170 0.198,1171 0.198,1172 0.283,1173 0.176,1174 0.134,1175 4.543,1176 0.195,1177 4.556,1178 0.128,1179 6.503,1180 0.443,1181 4.045,1182 0.129,1183 3.082,1184 4.492,1185 2.95,1186 10.179,1187 2.97,1188 2.008,1189 1.987,1190 2.05,1191 2.109,1192 1.188,1193 2.097,1194 1.852,1195 1.84,1196 1.888,1197 1.897,1198 1.042,1199 1.92,1200 1.377,1201 1.326,1202 1.496,1203 1.593,1204 0.43,1205 1.583,1206 1.055,1207 0.986,1208 1.295,1209 1.386,1210 0.241,1211 1.371,1212 0.894,1213 0.868,1214 1.103,1215 1.038,1216 0.168,1217 1.079,1218 0.865,1219 0.824,1220 1.07,1221 1.009,1222 0.025,1223 1.048,1224 0.709,1225 0.636,1226 0.941,1227 0.959,1229 0.982,1230 0.615,1231 0.509,1232 0.796,1233 0.833,1235 0.869,1236 3.85,1238 5.187,1240 6.718,1242 8.34,1244 10.008,1247 11.93,1250 11.467,1255 1.553,1262 23.035,1263 57.058,1264 104.561,1265 122.07,1266 145.58,1267 149.58,1268 149.58,1269 28.274,1270 6.855,1271 77.82,1272 103.12,1273 18,1274 12.232,1275 4.17,1276 3.248,1277 32.302,1278 68,1279 62,1280 0.238,1281 154.438,1282 252.79,1283 368.588,1284 7850,1285 6.5,1286 14.983,1287 0.713,1288 0.619,1289 16.336,1290 13.006,1291 10.025,1292 0.436,1293 0.329,1294 6.066,1295 8.769,1296 5.794,1297 4.771,1298 11.01,1299 7.556,1300 9.526,1301 0.289,1302 0.19,1303 10.963,1304 6.285,1305 7.74,1306 0.184,1307 0.109,1308 9.359,1309 4.559,1310 6.33,1311 0.117,1312 0.058,1313 7.568,1314 3.15,1315 5.152,1316 0.075,1317 0.034,1318 6.502,1319 2.357,1320 0.37,1321 71.976,1322 0.258,1323 20.742,1324 0.661,1325 112,1326 333.182,1327 175.045,1328 414.933,1329 550.38,1330 384,1331 131,1332 349.792,1333 183.935,1334 393.043,1335 574.84,1336 370,1337 7.96}
{0 CHEMBL6885,1 1.544,2 5.154,3 0.209,4 0.043,5 53.161,6 7.965,7 0.786,8 3.239,9 3.402,10 2.834,11 2.704,12 4.542,13 2.727,14 3.619,15 3.79,16 3.198,17 3.059,18 4.942,19 3.055,20 3.804,21 4.001,22 3.177,23 3.124,24 5.039,25 3.108,26 3.805,27 4.043,28 2.962,29 2.973,30 5.033,31 2.908,32 3.665,33 3.943,34 2.559,35 2.657,36 4.928,37 2.553,38 3.373,39 3.718,40 1.624,41 2.146,42 4.348,43 1.953,44 2.707,45 3.095,46 1.018,47 1.473,48 3.517,49 1.201,50 1.681,51 1.979,52 0.331,53 0.669,54 2.833,55 0.587,56 0.079,57 0.38,58 4.315,59 1.235,60 14.013,61 1.841,62 0.125,63 0.545,64 6.512,65 2.603,66 14.685,67 3.626,68 0.134,69 0.598,70 8.323,71 2.357,72 17.215,73 3.675,74 0.155,75 0.515,76 9.213,77 2.709,78 23.488,79 4.289,80 0.205,81 0.381,82 8.777,83 2.08,84 30.687,85 3.476,86 0.174,87 0.214,88 7.689,89 1.348,90 25.692,91 2.573,92 0.075,93 0.086,94 4.387,95 1.17,96 12.968,97 2.001,98 0.042,99 0.032,100 1.166,101 0.041,102 7.456,103 0.174,104 10,105 20,106 0.319,107 0.624,108 0.732,109 0.866,110 0.866,111 0.866,112 2.671,113 0.803,114 -2.5,115 -2.53,116 -2.47,119 36.4,139 3,140 1,141 1,143 1,144 1,147 1,157 3,158 3,159 3,166 2,169 1,170 3,172 3,173 3,175 3,178 2,180 3,182 3,187 3,189 2,191 3,193 1,195 1,196 1,197 1,198 3,200 2,204 3,205 1,207 1,209 2,210 2,211 1,212 3,214 2,218 3,219 1,238 1,240 2,244 1,273 114,274 8.447,275 8.447,276 8.447,277 8.447,278 8.447,279 7.058,280 9.487,281 4.892,282 8.645,283 6.905,284 6.905,285 6.905,286 6.905,287 6.905,288 4.86,289 10,290 2.34,291 7.244,292 2.915,293 1.444,294 0.921,295 0.273,296 0.273,297 0.273,298 3.303,301 1,302 1,303 139,304 1.581,307 51.529,311 44.341,314 0.828,315 12.995,318 0.75,319 0.5,320 0.67,321 0.5,323 0.83,324 1,325 0.61,326 28.5,327 67,328 4.537,329 3.11,330 6.498,331 4.04,332 3.072,333 4.489,335 10.153,336 2.977,337 3.72,338 2.432,339 5.115,340 3.273,341 2.326,342 3.193,344 6.29,345 2.204,346 3.427,347 2.14,348 5.058,349 2.961,350 2.024,351 2.811,353 5.796,354 1.892,355 3.331,356 1.992,357 4.86,358 2.867,359 1.919,360 2.651,362 5.449,363 1.813,364 2.451,365 1.058,366 3.708,367 1.98,368 1.006,369 1.431,371 2.565,372 0.978,373 1.485,374 0.264,375 2.746,376 1.069,377 0.132,378 0.171,380 0.313,381 0.123,382 0.978,383 -0.293,384 2.55,385 0.489,386 -0.434,387 -0.564,389 -1.129,390 -0.399,391 0.652,392 -0.48,393 2.339,394 0.265,395 -0.675,396 -0.814,398 -1.644,399 -0.629,400 0.472,401 -0.734,402 1.753,403 0.145,404 -0.816,405 -1.108,407 -2.308,408 -0.789,409 0.011,410 -1.16,411 1.462,412 -0.326,413 -1.276,414 -1.684,415 -3.257,416 -1.207,417 -0.225,418 -1.402,419 1.139,420 -0.592,421 -1.517,422 -2.02,423 -4.205,424 -1.396,425 -0.339,426 -1.727,427 1.078,428 -0.801,429 -1.761,430 -2.555,431 -5.152,432 -1.693,433 -0.5,434 -2,435 1,436 -1,437 -2,438 -3,439 -5.976,440 -1.874,441 -0.5,442 -2,443 0.695,444 -1.072,445 -2,446 -3,448 -6.894,449 -2,459 6,460 0.462,461 0.421,462 0.032,463 20.25,464 1.558,465 11.5,466 0.885,467 8.75,468 0.673,469 5.849,470 0.45,471 13.8,472 0.627,473 11.734,474 0.903,475 4.049,476 0.311,477 2.115,478 0.163,479 0.2,481 0.417,485 1.399,486 1.127,487 0.856,488 0.697,489 1.589,490 0.672,491 0.376,492 0.995,493 0.591,494 1.001,495 0.362,496 0.864,497 1.257,498 1.325,499 1.049,500 1.104,501 1.046,502 1.045,503 0.839,504 1.276,505 1.037,506 1.324,507 0.814,508 1.236,509 1.065,510 0.962,511 1.27,512 1.191,513 1.098,514 1.26,515 1.555,516 0.62,517 1.383,518 0.758,519 1.612,520 0.993,521 0.061,522 0.391,523 0.452,524 0.658,525 0.054,526 0.638,527 3.225,528 0.235,529 2.369,530 0.384,531 4.068,532 1.078,533 3.5,535 1.556,536 1.063,537 1.058,538 0.174,539 0.121,543 936,544 2965,545 1.992,546 40.9,548 3,551 6,555 1.49,556 1.814,557 2.443,558 4.613,564 33.969,565 1.544,566 3.015,567 3.538,568 4.187,569 4.187,570 4.187,571 1.884,572 3.547,573 3.678,574 2.442,575 190.506,576 6.113,577 1381.47,579 1,582 98.107,583 1.549,584 3.601,585 0.25,587 0.078,588 0.056,589 0.076,590 0.022,591 0.06,595 0.541,596 0.5,597 1,598 0.773,599 45.931,600 -0.443,601 0.105,602 -0.065,603 0.288,604 -0.568,605 0.203,606 0.418,607 0.176,608 0.222,609 0.067,610 0.329,611 0.099,612 -0.333,613 -0.221,614 -0.201,615 -0.132,616 -0.246,617 -0.139,618 0.056,619 -0.314,620 -0.11,621 -0.353,622 0.091,623 -0.278,624 0.009,625 -0.085,626 -0.266,627 -0.317,628 0.04,629 -0.342,630 -0.423,631 0.069,632 -0.249,633 0.076,634 -0.451,635 -0.032,636 0.713,637 0.082,638 0.798,639 0.368,640 0.819,641 0.565,642 -1.481,643 0.563,644 -1.235,645 0.138,646 -1.765,647 -0.401,648 1.491,649 1.639,650 0.769,651 4.982,652 1.013,653 1.151,654 1.27,655 1.614,656 0.661,657 2.708,658 3.045,659 3.258,660 3.526,661 3.738,662 3.611,663 3.497,664 3.258,665 3.219,666 2.197,667 3.223,668 0.644,669 175.22,670 2.708,671 4.234,672 5.069,673 5.953,674 6.81,675 7.695,676 8.56,677 9.442,678 10.311,679 11.192,680 22.7,684 3,690 2,694 2,695 3,696 2,700 3,702 11,711 3,718 22,719 11,720 1,721 14,723 23,724 8,725 8,726 3,727 3,729 2,730 3,741 8,757 9,758 5,759 6,760 5,764 5,769 0.5,776 1,781 2,785 1,802 1,810 13,811 3,836 7.167,837 3.65,838 2.806,839 1.019,840 2.378,841 1.424,842 1.042,843 1.704,844 7.984,845 3.02,846 3.726,847 4.35,848 5,849 5.608,850 5.829,851 6.09,852 6.306,853 6.612,854 5.689,855 0.75,856 19,857 4.707,858 -0.003,859 1.973,860 7.987,861 8.649,862 -0.001,863 6.842,864 0.001,865 2.487,866 32.333,867 0.004,870 35.313,871 40.13,872 132.263,877 40.13,878 35.313,879 132.263,882 127.12,883 33.571,884 7.474,885 4.227,886 35.313,888 35.313,889 172.392,893 35.313,897 4.043,898 134.778,899 33.571,901 35.313,902 132.263,903 40.13,906 35.313,907 11.701,908 28.429,910 132.263,911 35.313,912 132.263,913 40.13,915 0.592,916 0.335,917 0.186,918 0.108,919 11,920 5,923 1,924 1.2,925 2.445,926 80.855,927 0.2,928 10,929 48.106,933 8.071,934 2.744,935 1.358,936 1.438,937 132.263,938 5.234,939 7.84,943 1.164,945 98.692,946 207.706,947 19.5,956 22.276,957 25.322,958 0.346,959 0.676,960 0.793,961 0.939,962 0.939,963 0.939,964 4.23,965 -0.675,966 5.081,967 -1.129,968 3.714,969 4.407,971 5.889,972 3.625,973 5.489,974 -0.816,975 6.642,976 -1.644,977 3.434,978 4.407,980 6.763,981 3.297,982 6.824,983 -1.276,984 8.298,985 -2.308,986 5.303,987 6.755,989 9.85,990 5.14,991 8.193,992 -1.517,993 10.007,994 -3.257,995 5.74,996 7.509,998 11.519,999 5.538,1000 9.588,1001 -1.761,1002 11.749,1003 -4.205,1004 7.166,1005 9.386,1007 14.152,1008 6.942,1009 11.004,1010 -2,1011 13.516,1012 -5.152,1013 7.958,1014 10.523,1016 16.19,1017 7.702,1018 12.437,1019 -2,1020 15.304,1021 -5.976,1022 9.201,1023 12.192,1025 18.642,1026 8.922,1027 3.072,1029 17.107,1030 -6.894,1031 10.169,1032 13.524,1034 20.842,1035 9.861,1036 2.326,1037 10.153,1038 18.923,1040 11.337,1041 15.099,1043 23.218,1044 11.003,1045 2.024,1046 6.29,1047 20.751,1048 4.489,1049 12.388,1050 16.524,1052 25.486,1053 12.025,1054 1.919,1055 5.796,1056 22.587,1057 3.193,1058 13.527,1059 18.057,1061 27.83,1062 13.136,1063 1.006,1064 5.449,1065 24.431,1066 2.811,1067 14.617,1068 19.524,1070 30.127,1071 14.196,1072 0.132,1073 2.565,1074 26.28,1075 2.651,1076 15.744,1077 21.04,1079 32.456,1080 15.294,1081 -0.434,1082 0.313,1083 28.134,1084 1.431,1085 16.852,1086 22.526,1088 34.765,1089 16.371,1090 1003,1091 1846,1092 8.959,1093 14.551,1094 21.188,1095 20.966,1096 21.906,1097 20.983,1098 20.959,1099 29.49,1101 61.132,1102 19.975,1103 5.037,1104 5.11,1105 5.803,1106 5.112,1107 5.072,1108 7.489,1110 17.047,1111 4.977,1112 6.563,1113 1.513,1114 1.498,1115 1.565,1116 1.499,1117 1.497,1118 2.106,1120 4.367,1121 1.427,1122 4.059,1123 4.096,1124 4.03,1125 3.963,1126 5.319,1127 3.974,1128 3.493,1129 3.569,1130 3.427,1131 3.278,1132 5.078,1133 3.309,1134 3.133,1135 3.237,1136 3.024,1137 2.912,1138 4.977,1139 2.927,1140 2.976,1141 3.094,1142 2.827,1143 2.68,1144 4.553,1145 2.706,1146 2.685,1147 2.798,1148 2.484,1149 2.389,1150 4.016,1151 2.404,1152 2.466,1153 2.624,1154 2.184,1155 2.02,1156 3.737,1157 2.036,1158 2.192,1159 2.317,1160 1.978,1161 1.779,1162 3.457,1163 1.803,1164 1.878,1165 2,1166 1.655,1167 1.526,1168 2.863,1169 1.539,1170 0.324,1171 0.222,1172 0.464,1173 0.289,1174 0.219,1175 4.537,1176 0.321,1177 3.11,1179 6.498,1180 0.725,1181 4.04,1182 0.213,1183 3.072,1184 4.489,1186 10.153,1187 2.977,1188 2.005,1189 1.977,1190 2.068,1191 2.123,1192 1.162,1193 2.108,1194 1.402,1195 1.336,1196 1.541,1197 1.665,1198 0.41,1199 1.64,1200 1.058,1201 0.983,1202 1.299,1203 1.386,1204 0.21,1205 1.371,1206 0.892,1207 0.783,1208 1.21,1209 1.256,1211 1.255,1212 0.645,1213 0.523,1214 1.023,1215 0.967,1217 0.997,1218 0.395,1219 0.228,1220 0.828,1221 0.827,1223 0.839,1224 0.113,1226 0.498,1227 0.47,1229 0.48,1232 0.092,1233 0.164,1235 0.16,1236 3.367,1238 4.691,1240 6.221,1242 7.853,1244 9.538,1250 16.657,1262 14.161,1263 33.969,1264 66.333,1265 77.843,1266 92.107,1267 92.107,1268 92.107,1269 13.457,1270 5.606,1271 103.84,1272 103.84,1273 12,1274 11.729,1275 3.585,1276 2.7,1277 19.04,1278 26,1279 21,1280 0.414,1281 92.057,1282 142.24,1283 216.379,1284 1402,1286 9.422,1287 0.725,1288 0.528,1289 9.422,1290 6.859,1291 6.165,1292 0.44,1293 0.268,1294 3.69,1295 5.926,1296 3.618,1297 3.024,1298 6.165,1299 3.748,1300 5.896,1301 0.295,1302 0.137,1303 5.896,1304 2.744,1305 4.52,1306 0.181,1307 0.071,1308 4.52,1309 1.767,1310 3.9,1311 0.118,1312 0.036,1313 3.9,1314 1.188,1315 3.148,1316 0.077,1317 0.019,1318 3.148,1319 0.769,1320 0.589,1321 38.671,1322 0.334,1323 12.7,1324 1.314,1325 68,1326 195.227,1327 75.41,1328 199.561,1329 275.97,1330 184,1331 79,1332 213.169,1333 85.495,1334 218.657,1335 316.26,1336 205,1337 4.57}
{0 CHEMBL6899,1 1.629,2 10.16,3 1.443,4 2.082,5 97.659,6 7.197,7 0.444,8 3.983,9 4.112,10 3.511,11 3.386,12 5.112,13 3.398,14 4.517,15 4.71,16 3.846,17 3.754,18 5.569,19 3.751,20 4.647,21 4.813,22 3.981,23 3.947,24 5.7,25 3.919,26 4.849,27 5.065,28 3.963,29 4.017,30 5.862,31 3.945,32 4.929,33 5.156,34 3.773,35 3.997,36 5.863,37 3.895,38 4.868,39 5.129,40 3.565,41 3.908,42 5.723,43 3.759,44 4.813,45 5.124,46 3.517,47 3.724,48 5.568,49 3.596,50 4.486,51 4.717,52 3.453,53 3.554,54 5.445,55 3.488,56 0.084,57 0.706,58 10.827,59 3.807,60 11.913,61 5.466,62 0.454,63 1.046,64 20.862,65 6.272,66 32.584,67 8.9,68 0.429,69 1.27,70 22.435,71 7.346,72 24.733,73 10.872,74 0.508,75 1.387,76 28.795,77 9.414,78 41.512,79 13.839,80 0.761,81 1.353,82 32.889,83 9.262,84 55.433,85 13.896,86 0.558,87 1.245,88 30.916,89 9.293,90 48.899,91 14.3,92 0.554,93 1.046,94 31.141,95 8.244,96 42.305,97 13.336,98 0.397,99 0.871,100 20.956,101 5.652,102 31.074,103 8.654,104 35,105 38,106 0.28,107 0.59,108 0.725,109 0.756,110 0.78,111 0.81,112 3.267,113 0.886,114 -2.49,115 -2.52,116 -2.46,119 35.4,121 1,124 3,125 3,139 2,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 8,172 3,173 3,175 1,178 2,180 1,181 2,182 6,192 3,193 4,195 2,196 2,197 1,198 3,200 2,201 2,204 3,205 1,206 2,215 4,220 1,221 2,223 1,224 1,226 1,231 1,234 8,239 2,243 2,246 2,251 1,256 1,259 4,262 2,263 2,265 2,270 2,273 829,274 16.936,275 16.936,276 16.936,277 16.936,278 16.936,279 15.383,280 27.239,281 9.732,282 17.723,283 13.136,284 13.136,285 13.136,286 13.136,287 13.136,288 10.573,289 38.619,290 4.352,291 14.129,292 3.956,293 2.161,294 1.376,295 1.193,296 1.053,297 0.881,298 3.947,300 1,301 1,302 1,303 534,304 2.915,307 212.087,311 111.697,314 1.446,315 24.075,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 55.5,327 254,328 4.431,329 3.391,330 6.525,331 4.052,332 3.094,333 4.107,334 0.995,335 10.269,336 2.968,337 4.408,338 3.312,339 6.501,340 4,341 3.05,342 4.089,343 0.86,344 10.172,345 2.892,346 3.682,347 2.838,348 5.53,349 3.432,350 2.5,351 2.942,352 0.86,353 7.51,354 2.332,355 3.483,356 2.555,357 5.19,358 3.088,359 2.148,360 2.8,361 0.86,362 6.168,363 2.009,364 3.355,365 2.376,366 5.086,367 2.972,368 2.061,369 2.604,370 0.359,371 6.118,372 1.886,373 3.314,374 2.227,375 5.056,376 2.949,377 2.008,378 2.559,380 5.796,381 1.867,382 3.083,383 2.136,384 4.906,385 2.797,386 1.86,387 2.156,389 5.559,390 1.736,391 2.195,392 1.927,393 3.782,394 1.978,395 1.145,396 1.183,398 2.565,399 0.968,400 2.091,401 1.341,402 3.708,403 1.961,404 1.006,405 1.065,407 2.399,408 0.939,409 1.576,410 1.033,411 3.016,412 1.27,413 0.396,414 0.452,415 0.711,416 0.342,417 1.473,418 0.916,419 2.859,420 1.257,421 0.374,422 0.399,423 0.603,424 0.324,425 1.361,426 0.521,427 2.69,428 1.111,429 0.213,430 0.237,431 0.359,432 0.193,433 1.03,434 0.175,435 2.525,436 0.725,437 -0.206,438 -0.241,439 -0.453,440 -0.19,441 0.857,442 -0.131,443 2.486,444 0.473,445 -0.445,446 -0.549,448 -1.126,449 -0.406,450 0.65,451 -0.27,452 2.297,453 0.279,454 -0.627,455 -0.707,457 -1.392,458 -0.558,459 11.5,460 0.46,461 0.622,462 0.025,463 31.75,464 1.27,465 14.5,466 0.58,467 17.25,468 0.69,469 20.464,470 0.819,471 28.7,472 0.598,473 23.927,474 0.957,475 6.605,476 0.264,477 5.445,478 0.218,479 0.2,481 0.383,485 1.013,486 1.553,487 0.84,488 1.291,489 1.127,490 1.053,491 1.309,492 0.807,493 0.839,494 0.716,495 0.795,496 0.695,497 0.868,498 1.377,499 0.99,500 1.239,501 0.821,502 1.142,503 0.754,504 1.133,505 0.99,506 1.261,507 0.736,508 1.185,509 1.393,510 1.013,511 1.3,512 1.06,513 1.39,514 1.161,515 0.917,516 1.017,517 1.168,518 1.167,519 1.108,520 1.215,521 0.909,522 0.723,523 0.713,524 0.679,525 0.619,526 0.663,527 1.389,528 1.044,529 1.14,530 1.021,531 1.301,532 1.028,533 6,534 0.136,535 2.667,536 2.313,537 1.942,538 0.764,539 0.546,540 0.248,541 0.349,542 0.255,543 6647,544 18857,545 2.015,546 47.9,548 17,551 4,552 2,555 1.68,556 1.852,557 3.303,558 1.815,559 1,560 1,564 78.185,565 1.629,566 3.423,567 4.209,568 4.392,569 4.532,570 4.704,571 2.713,572 4.164,573 4.618,574 3.439,575 1031.71,576 7.986,577 12394.6,579 1,581 1,582 268.078,583 1.516,584 4.555,585 0.222,586 0.009,587 0.07,588 0.055,589 0.05,590 0.025,591 0.023,592 0.01,593 0.015,594 0.012,595 0.49,596 0.17,597 1,598 1.017,599 120.099,600 -0.106,601 -0.237,602 0.051,603 -0.128,604 -0.151,605 -0.014,606 -0.117,607 0.3,608 0.145,609 0.311,610 0.113,611 0.278,612 0.061,613 -0.166,614 -0.074,615 -0.132,616 -0.003,617 -0.123,618 0.11,619 -0.05,620 -0.054,621 -0.212,622 0.122,623 -0.174,624 -0.233,625 -0.029,626 -0.31,627 -0.071,628 -0.332,629 -0.195,630 -0.076,631 -0.063,632 -0.211,633 -0.17,634 -0.214,635 -0.213,636 -0.007,637 0.065,638 0.298,639 0.247,640 0.133,641 0.325,642 -0.242,643 -0.057,644 -0.144,645 -0.047,646 -0.239,647 -0.068,648 1.436,649 2.013,650 0.64,651 20.339,652 1.009,653 1.143,654 1.262,655 1.592,656 0.63,657 3.332,658 3.664,659 3.951,660 4.234,661 4.443,662 4.466,663 4.554,664 4.615,665 4.762,666 4.796,667 5.959,668 0.604,669 345.45,670 3.332,671 4.875,672 5.733,673 6.624,674 7.497,675 8.39,676 9.267,677 10.159,678 11.039,679 11.93,680 10.4,683 1,684 2,690 2,695 2,696 2,700 8,702 12,711 2,716 3,718 48,719 12,720 1,721 27,723 50,724 17,725 10,726 4,727 2,729 3,730 4,736 1,739 1,741 10,742 7,753 1,754 1,757 23,758 8,759 4,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,799 1,802 2,806 3,810 25,811 2,816 4,818 3,821 1,829 6.3,834 3,836 13.5,837 9.433,838 5.694,839 2.5,840 2.297,841 1.319,842 0.961,843 5.392,844 9.505,845 3.526,846 4.127,847 4.687,848 5.23,849 5.703,850 5.83,851 5.941,852 6.11,853 6.437,854 6.714,855 0.857,856 42,857 9.178,859 3.766,860 7.733,861 17.464,863 13.826,865 2.233,866 55.833,870 223.651,871 89.539,872 102.49,874 33,877 89.539,878 256.651,879 102.49,880 32.649,881 8.852,882 84.747,883 33.571,884 60.982,885 4.227,886 223.651,888 223.651,889 192.028,890 33,893 223.651,894 33,897 16.632,898 141.825,899 33.571,901 223.651,902 135.489,903 89.539,906 223.651,907 37.937,908 54.726,910 132.365,911 223.651,912 135.489,913 89.539,915 0.576,916 0.357,917 0.205,918 0.11,919 18,920 9,921 0.1,922 5,923 1,924 1.125,925 3.578,926 206.469,927 0.125,928 16,929 108.096,933 17.887,934 7.536,935 3.695,937 135.489,938 3.916,939 8.364,943 5.513,945 65.794,946 448.679,947 33,956 48.443,957 54.857,958 0.292,959 0.613,960 0.754,961 0.786,962 0.812,963 0.842,964 4.779,965 1.145,966 5.733,967 5.559,968 4.344,969 4.812,970 2.013,971 6.567,972 4.214,973 5.988,974 1.006,975 7.309,976 2.565,977 4.007,978 4.745,979 0.325,980 7.496,981 3.837,982 7.308,983 0.396,984 8.978,985 2.399,986 5.964,987 7.012,988 1.747,989 10.585,990 5.735,991 8.662,992 0.374,993 10.7,994 0.711,995 6.399,996 7.706,997 0.504,998 12.296,999 6.126,1000 10.044,1001 0.213,1002 12.456,1003 0.603,1004 7.848,1005 9.499,1006 1.534,1007 14.913,1008 7.534,1009 11.446,1010 -0.206,1011 14.236,1012 0.359,1013 8.648,1014 10.55,1015 0.585,1016 16.969,1017 8.287,1018 12.864,1019 -0.445,1020 16.033,1021 -0.453,1022 9.897,1023 12.148,1024 1.356,1025 19.412,1026 9.498,1027 3.094,1028 -0.627,1029 17.844,1030 -1.126,1031 10.871,1032 13.377,1033 0.622,1034 21.621,1035 10.425,1036 3.05,1037 10.269,1038 19.666,1039 -1.392,1040 12.039,1041 14.884,1042 1.208,1043 23.994,1044 11.555,1045 2.5,1046 10.172,1047 21.498,1048 4.107,1049 13.094,1050 16.201,1051 0.639,1052 26.268,1053 12.563,1054 2.148,1055 7.51,1056 23.337,1057 4.089,1058 14.231,1059 17.662,1060 1.086,1061 28.613,1062 13.66,1063 2.061,1064 6.168,1065 25.182,1066 2.942,1067 15.323,1068 19.025,1069 0.646,1070 30.916,1071 14.705,1072 2.008,1073 6.118,1074 27.033,1075 2.8,1076 16.449,1077 20.462,1078 0.986,1079 33.249,1080 15.79,1081 1.86,1082 5.796,1083 28.887,1084 2.604,1085 17.556,1086 21.848,1087 0.648,1088 35.564,1089 16.852,1090 6593,1091 11197,1092 17.512,1093 30.245,1094 39.567,1095 40.969,1096 42.395,1097 39.602,1098 39.714,1099 49.186,1100 7.867,1101 116.459,1102 36.911,1103 5.376,1104 5.391,1105 6.068,1106 5.125,1107 5.094,1108 7.107,1109 1.855,1110 17.19,1111 4.968,1112 14.394,1113 1.465,1114 1.517,1115 1.57,1116 1.467,1117 1.471,1118 1.822,1119 0.291,1120 4.313,1121 1.367,1122 4.012,1123 4.055,1124 3.963,1125 3.889,1126 5.283,1127 3.901,1128 3.901,1129 3.922,1130 3.867,1131 3.78,1132 4.979,1133 3.797,1134 3.515,1135 3.593,1136 3.421,1137 3.271,1138 4.971,1139 3.299,1140 3.303,1141 3.355,1142 3.144,1143 3.061,1144 4.58,1145 3.066,1146 3.278,1147 3.343,1148 3.125,1149 3.006,1150 4.484,1151 3.026,1152 3.204,1153 3.284,1154 3.015,1155 2.918,1156 4.457,1157 2.927,1158 3.151,1159 3.253,1160 2.971,1161 2.892,1162 4.239,1163 2.892,1164 2.991,1165 3.101,1166 2.78,1167 2.745,1168 3.991,1169 2.737,1170 0.164,1171 0.126,1172 0.242,1173 0.15,1174 0.115,1175 4.431,1176 0.152,1177 3.391,1178 0.037,1179 6.525,1180 0.38,1181 4.052,1182 0.11,1183 3.094,1184 4.107,1185 0.995,1186 10.269,1187 2.968,1188 1.934,1189 1.905,1190 2.046,1191 2.091,1192 1.321,1193 2.079,1194 1.849,1195 1.821,1196 1.937,1197 1.987,1198 1.117,1199 1.97,1200 1.425,1201 1.354,1202 1.616,1203 1.706,1204 0.752,1205 1.684,1206 1.24,1207 1.174,1208 1.59,1209 1.558,1210 0.687,1211 1.565,1212 1.227,1213 1.163,1214 1.57,1215 1.52,1216 0.584,1217 1.538,1218 1.165,1219 1.078,1220 1.551,1221 1.481,1222 0.57,1223 1.508,1224 1.107,1225 1.017,1226 1.417,1227 1.407,1228 0.529,1229 1.409,1230 0.963,1231 0.864,1232 1.275,1233 1.272,1234 0.336,1235 1.296,1236 4.007,1238 5.333,1240 6.868,1242 8.504,1244 10.191,1246 4.817,1250 11.689,1252 3.05,1254 16.207,1257 2.277,1262 28.993,1263 78.185,1264 164.327,1265 202.039,1266 210.794,1267 217.549,1268 225.814,1269 38.178,1270 7.208,1271 108.75,1272 108.75,1273 18,1274 12.46,1275 3.7,1276 2.807,1277 41.795,1278 91,1279 83,1280 0.231,1281 180.056,1282 309.31,1283 431.096,1284 12078,1286 17.974,1287 0.719,1288 0.588,1289 17.974,1290 14.704,1291 12.05,1292 0.446,1293 0.295,1294 7.767,1295 11.294,1296 7.491,1297 6.258,1298 12.05,1299 7.973,1300 10.639,1301 0.28,1302 0.155,1303 10.639,1304 5.887,1305 9.037,1306 0.177,1307 0.085,1308 9.037,1309 4.319,1310 7.942,1311 0.117,1312 0.046,1313 7.942,1314 3.135,1315 6.308,1316 0.075,1317 0.027,1318 6.308,1319 2.23,1320 0.36,1321 77.65,1322 0.239,1323 24.056,1324 0.642,1325 130,1326 414.766,1327 147.1,1328 388.715,1329 530.46,1330 366,1331 154,1332 387.073,1333 172.016,1334 394.61,1335 573.92,1336 364,1337 5.658}
{0 CHEMBL69363,1 1.616,2 10.16,3 2.028,4 4.113,5 100.651,6 7.286,7 0.593,8 3.961,9 4.101,10 3.494,11 3.387,12 5.099,13 3.396,14 4.459,15 4.645,16 3.833,17 3.737,18 5.58,19 3.725,20 4.627,21 4.834,22 3.867,23 3.816,24 5.669,25 3.796,26 4.61,27 4.798,28 3.857,29 3.863,30 5.718,31 3.809,32 4.765,33 5.013,34 3.664,35 3.887,36 5.756,37 3.777,38 4.738,39 5.016,40 3.581,41 3.819,42 5.561,43 3.693,44 4.598,45 4.841,46 3.644,47 3.701,48 5.55,49 3.632,50 4.564,51 4.794,52 3.628,53 3.661,54 5.593,55 3.598,56 0.088,57 0.72,58 10.399,59 3.525,60 11.537,61 5.149,62 0.313,63 1.044,64 18.773,65 6.24,66 29.785,67 8.791,68 0.426,69 1.155,70 23.232,71 6.39,72 31.096,73 9.734,74 0.38,75 1.223,76 21.552,77 7.197,78 32.524,79 10.475,80 0.582,81 1.262,82 27.106,83 7.616,84 50.893,85 11.956,86 0.34,87 1.131,88 27.11,89 8.399,90 33.695,91 13.056,92 0.381,93 1.001,94 23.26,95 7.049,96 32.341,97 10.536,98 0.543,99 0.971,100 22.624,101 6.355,102 40.704,103 9.615,104 25,105 37,106 0.277,107 0.648,108 0.784,109 0.823,110 0.837,111 0.859,112 3.267,113 0.905,114 -3.22,115 -3.21,116 -3.08,119 36.2,120 2,125 3,139 3,140 2,141 3,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 2,169 1,170 7,172 3,173 4,175 5,178 1,180 1,182 5,185 1,187 3,189 1,191 1,195 1,196 3,197 4,198 2,200 4,201 4,204 1,205 1,206 1,207 1,210 2,211 1,212 2,214 1,215 5,218 1,221 2,226 2,229 2,234 5,237 1,238 1,239 2,240 1,241 2,243 1,245 2,246 2,248 1,249 2,251 2,254 2,256 1,259 2,260 2,262 1,263 1,265 3,268 2,270 2,273 889,274 17.033,275 17.033,276 17.033,277 17.033,278 17.033,279 15.082,280 25.051,281 10.239,282 17.748,283 13.273,284 13.273,285 13.273,286 13.273,287 13.273,288 10.236,289 36.012,290 4.692,291 14.266,292 3.938,293 1.772,294 0.984,295 0.756,296 0.67,297 0.543,298 3.948,300 1,301 1,302 1,303 535,304 3.162,306 53.139,307 148.837,310 99.916,314 1.299,315 22.953,317 1,318 0.75,319 0.83,320 0.83,321 0.7,322 0.5,323 0.83,324 1,325 0.78,326 55,327 254,328 4.638,329 3.278,330 6.78,331 4.155,332 3.189,333 4.608,334 0.86,335 11.108,336 3.085,337 4.269,338 3.157,339 6.179,340 3.861,341 2.908,342 3.912,343 0.86,344 9.216,345 2.767,346 3.709,347 2.743,348 5.308,349 3.272,350 2.343,351 3.155,352 0.657,353 6.713,354 2.175,355 3.562,356 2.524,357 5.251,358 3.184,359 2.269,360 2.869,362 6.638,363 2.067,364 3.407,365 2.14,366 5.063,367 2.9,368 1.981,369 2.788,371 5.791,372 1.818,373 3.092,374 2.064,375 4.774,376 2.747,377 1.813,378 2.261,380 5.058,381 1.689,382 2.901,383 1.871,384 4.416,385 2.513,386 1.57,387 2.039,389 4.31,390 1.476,391 2.313,392 1.526,393 3.589,394 2.094,395 1.181,396 1.29,398 2.168,399 1.065,400 2.295,401 1.335,402 3.322,403 1.926,404 1,405 1.219,407 2.115,408 0.916,409 2.103,410 0.917,411 3.236,412 1.788,413 0.857,414 1.077,415 1.701,416 0.796,417 1.82,418 0.768,419 3.07,420 1.543,421 0.602,422 0.715,423 1.426,424 0.565,425 1.269,426 0.392,427 2.689,428 1.015,429 0.08,430 0.09,431 0.144,432 0.074,433 1.096,434 -0.036,435 2.53,436 0.682,437 -0.243,438 -0.303,439 -0.604,440 -0.224,441 0.872,442 -0.237,443 2.302,444 0.489,445 -0.435,446 -0.515,448 -0.824,449 -0.4,450 0.672,451 -0.306,452 2.207,453 0.388,454 -0.529,455 -0.609,457 -1.185,458 -0.484,459 11.567,460 0.463,461 0.554,462 0.022,463 33.5,464 1.34,465 16.5,466 0.66,467 17,468 0.68,469 18.956,470 0.758,471 28.033,472 0.596,473 24.191,474 0.968,475 6.648,476 0.266,477 5.469,478 0.219,479 0.156,481 0.346,485 1.093,486 1.42,487 0.859,488 1.137,489 1.255,490 0.965,491 1.069,492 1.028,493 0.807,494 1.007,495 0.655,496 0.894,497 1.454,498 1.144,499 0.946,500 0.891,501 1.096,502 0.847,503 0.87,504 1.259,505 1.08,506 1.32,507 0.778,508 1.263,509 0.997,510 0.901,511 1.262,512 1.061,513 1.252,514 1.173,515 0.771,516 0.931,517 0.87,518 0.992,519 0.705,520 0.954,521 1.085,522 0.969,523 0.872,524 0.986,525 0.796,526 0.917,527 1.239,528 0.957,529 1.003,530 0.929,531 0.991,532 0.944,533 5,534 0.136,535 2.667,536 1.91,537 1.383,538 0.663,539 0.482,540 0.344,541 0.305,542 0.223,543 6774,544 18391,545 2.038,546 46.8,548 9,549 1,551 6,553 6,555 1.683,556 1.899,557 3.307,558 3.53,559 1,560 1,564 75.962,565 1.616,566 3.783,567 4.57,568 4.799,569 4.884,570 5.012,571 2.653,572 4.294,573 4.616,574 3.44,575 1032.1,576 7.995,577 12648.3,579 1,581 1,582 261.066,583 1.44,584 4.569,585 0.185,586 0.009,587 0.072,588 0.05,589 0.038,590 0.024,591 0.018,592 0.012,593 0.011,594 0.01,595 0.429,596 0.17,597 1,598 1.192,599 120.536,600 -0.157,601 -0.121,602 0.026,603 -0.024,604 -0.265,605 0.038,606 0.054,607 0.093,608 0.143,609 0.05,610 0.231,611 0.095,612 -0.182,613 -0.099,614 0.044,615 0.108,616 -0.108,617 0.112,618 0.086,619 -0.104,620 -0.158,621 -0.27,622 0.118,623 -0.276,624 -0.078,625 0.144,626 -0.302,627 -0.1,628 -0.245,629 -0.215,630 -0.003,631 -0.028,632 0.096,633 0.021,634 0.008,635 0.074,636 0.008,637 -0.034,638 0.117,639 0.026,640 0.095,641 0.082,642 0.046,643 -0.001,644 0.006,645 0.055,646 0.054,647 0.02,648 1.519,649 2.175,650 0.6,651 20.707,652 1.007,653 1.143,654 1.994,655 3.975,656 0.639,657 3.332,658 3.638,659 3.912,660 4.205,661 4.357,662 4.431,663 4.489,664 4.554,665 4.564,666 4.595,667 6.03,668 0.612,669 342.45,670 3.332,671 4.86,672 5.707,673 6.589,674 7.456,675 8.346,676 9.221,677 10.114,678 10.993,679 11.887,680 12.8,684 2,685 1,688 1,690 2,694 2,695 4,696 2,697 1,700 6,702 16,711 2,712 1,716 2,718 47,719 16,720 1,721 27,723 49,724 17,725 12,726 3,727 3,729 3,730 4,734 2,741 12,742 5,753 1,754 1,757 22,758 7,759 6,760 8,764 6,769 0.667,770 2,776 1,777 1,780 1,781 2,784 1,802 2,806 2,810 25,811 2,816 3,817 1,818 2,829 4.3,834 2,836 13.167,837 8.733,838 5.694,839 2.853,840 3.211,841 1.448,842 0.988,843 5.502,844 10.379,845 3.584,846 4.216,847 4.841,848 5.468,849 5.942,850 6.224,851 6.505,852 6.829,853 6.928,854 7.166,855 0.857,856 38,857 9.168,859 3.768,860 7.733,861 17.378,863 13.634,865 2.233,866 55.833,870 188.338,871 91.362,872 134.162,874 22,877 91.362,878 210.337,879 134.162,880 17.65,881 11.29,882 103.271,883 53.297,884 57.787,885 15.998,886 176.567,888 188.338,889 225.523,890 22,893 117.711,894 92.626,897 49.341,898 124.601,899 51.582,901 188.338,902 156.161,903 91.362,906 188.338,907 36.235,908 55.127,909 34.796,910 121.365,911 188.338,912 156.161,913 91.362,915 0.566,916 0.335,917 0.197,918 0.104,919 17,920 8,921 0.143,922 7,923 1,924 1.133,925 3.666,926 202.388,927 0.133,928 15,929 116.096,933 17.635,934 7.8,935 3.909,936 1.385,937 139.376,938 7.542,939 8.183,940 3.071,943 3.833,945 100.591,946 435.861,947 35,956 47.334,957 53.73,958 0.291,959 0.681,960 0.823,961 0.864,962 0.879,963 0.902,964 4.804,965 1.181,966 5.687,967 4.31,968 4.317,969 4.902,970 1.573,971 6.503,972 4.192,973 6.019,974 1,975 7.245,976 2.168,977 3.892,978 4.808,980 7.416,981 3.74,982 7.337,983 0.857,984 8.904,985 2.115,986 5.905,987 7.186,988 1.27,989 10.53,990 5.686,991 8.697,992 0.602,993 10.624,994 1.701,995 6.312,996 7.943,998 12.303,999 6.077,1000 10.091,1001 0.08,1002 12.383,1003 1.426,1004 7.789,1005 9.799,1006 1.022,1007 14.933,1008 7.502,1009 11.51,1010 -0.243,1011 14.171,1012 0.144,1013 8.59,1014 10.956,1016 17.072,1017 8.287,1018 12.948,1019 -0.435,1020 15.981,1021 -0.604,1022 9.855,1023 12.605,1024 0.818,1025 19.542,1026 9.511,1027 3.189,1028 -0.529,1029 17.807,1030 -0.824,1031 10.841,1032 13.954,1034 21.832,1035 10.476,1036 2.908,1037 11.108,1038 19.647,1039 -1.185,1040 12.023,1041 15.52,1042 0.65,1043 24.249,1044 11.623,1045 2.343,1046 9.216,1047 21.499,1048 4.608,1049 13.095,1050 16.959,1052 26.602,1053 12.668,1054 2.269,1055 6.713,1056 23.36,1057 3.912,1058 14.247,1059 18.493,1060 0.511,1061 29.004,1062 13.789,1063 1.981,1064 6.638,1065 25.229,1066 3.155,1067 15.358,1068 19.974,1070 31.383,1071 14.87,1072 1.813,1073 5.791,1074 27.104,1075 2.869,1076 16.502,1077 21.498,1078 0.399,1079 33.782,1080 15.983,1081 1.57,1082 5.058,1083 28.984,1084 2.788,1085 17.63,1086 23,1088 36.173,1089 17.081,1090 6713,1091 11204,1092 17.8,1093 30.034,1094 39.697,1095 40.345,1096 41.679,1097 39.595,1098 39.585,1099 52.046,1100 4.755,1101 112.778,1102 36.983,1103 5.493,1104 5.278,1105 6.554,1106 5.229,1107 5.189,1108 7.608,1109 1.72,1110 17.998,1111 5.085,1112 13.054,1113 1.47,1114 1.494,1115 1.544,1116 1.466,1117 1.466,1118 1.928,1119 0.176,1120 4.177,1121 1.37,1122 4.112,1123 4.159,1124 4.084,1125 3.974,1126 5.322,1127 3.995,1128 3.921,1129 3.942,1130 3.875,1131 3.819,1132 4.982,1133 3.829,1134 3.507,1135 3.569,1136 3.389,1137 3.283,1138 4.912,1139 3.285,1140 3.468,1141 3.549,1142 3.334,1143 3.243,1144 4.768,1145 3.254,1146 3.41,1147 3.493,1148 3.213,1149 3.206,1150 4.564,1151 3.205,1152 3.205,1153 3.306,1154 3.072,1155 2.934,1156 4.239,1157 2.959,1158 3.078,1159 3.201,1160 2.945,1161 2.758,1162 4.112,1163 2.795,1164 2.865,1165 2.91,1166 2.72,1167 2.695,1168 3.991,1169 2.696,1170 0.172,1171 0.121,1172 0.251,1173 0.154,1174 0.118,1175 4.638,1176 0.171,1177 3.278,1178 0.032,1179 6.78,1180 0.411,1181 4.155,1182 0.114,1183 3.189,1184 4.608,1185 0.86,1186 11.108,1187 3.085,1188 1.892,1189 1.871,1190 1.987,1191 2.031,1192 1.128,1193 2.014,1194 1.816,1195 1.782,1196 1.869,1197 1.992,1198 1.025,1199 1.959,1200 1.552,1201 1.488,1202 1.801,1203 1.774,1204 0.939,1205 1.77,1206 1.479,1207 1.411,1208 1.767,1209 1.731,1210 0.903,1211 1.753,1212 1.429,1213 1.349,1214 1.698,1215 1.651,1216 0.729,1217 1.685,1218 1.124,1219 1.029,1220 1.369,1221 1.453,1222 0.38,1223 1.439,1224 0.983,1225 0.888,1226 1.265,1227 1.365,1228 0.176,1229 1.35,1230 0.85,1231 0.786,1232 1.133,1233 1.135,1234 0.136,1235 1.137,1236 4.007,1238 5.313,1239 2.398,1240 6.817,1241 4.727,1242 8.422,1243 6.843,1244 10.083,1246 3.895,1250 11.618,1252 1.702,1253 3.366,1254 11.239,1262 28.772,1263 75.962,1264 177.781,1265 214.801,1266 225.556,1267 229.556,1268 235.556,1269 35.974,1270 7.168,1271 124.1,1272 124.1,1273 17,1274 12.416,1275 4.087,1276 3.17,1277 41.69,1278 91,1279 90,1280 0.227,1281 179.927,1282 297.98,1283 430.781,1284 12070,1286 17.811,1287 0.712,1288 0.572,1289 17.811,1290 14.296,1291 12.118,1292 0.449,1293 0.302,1294 7.99,1295 11.486,1296 7.8,1297 6.494,1298 12.118,1299 8.144,1300 10.583,1301 0.286,1302 0.145,1303 10.583,1304 5.382,1305 8.646,1306 0.176,1307 0.075,1308 8.646,1309 3.69,1310 7.771,1311 0.118,1312 0.04,1313 7.771,1314 2.66,1315 5.761,1316 0.075,1317 0.021,1318 5.761,1319 1.63,1320 0.353,1321 76.825,1322 0.237,1323 24.168,1324 0.629,1325 128,1326 388.052,1327 144.966,1328 371.244,1329 517.74,1330 350,1331 150,1332 394.895,1333 166.026,1334 394.288,1335 579.74,1336 373,1337 4.155}
{0 CHEMBL6949,1 1.695,2 10.708,3 2.925,4 8.557,5 96.111,6 8.546,7 0.654,8 3.8,9 3.927,10 3.467,11 3.37,12 5.025,13 3.359,14 4.259,15 4.415,16 3.862,17 3.75,18 5.502,19 3.715,20 4.494,21 4.663,22 3.915,23 3.881,24 5.685,25 3.833,26 4.563,27 4.762,28 3.829,29 3.837,30 5.768,31 3.767,32 4.606,33 4.847,34 3.66,35 3.717,36 5.816,37 3.64,38 4.471,39 4.723,40 3.448,41 3.57,42 5.573,43 3.466,44 4.215,45 4.444,46 3.536,47 3.454,48 5.535,49 3.371,50 4.136,51 4.358,52 3.266,53 3.424,54 5.216,55 3.32,56 0.083,57 0.62,58 6.624,59 3.044,60 13.407,61 3.779,62 0.209,63 0.935,64 12.218,65 5.602,66 24.788,67 7.269,68 0.283,69 1.113,70 18.415,71 6.495,72 39.123,73 8.027,74 0.253,75 1.165,76 20.259,77 7.447,78 34.538,79 9.811,80 0.462,81 1.15,82 21.916,83 6.937,84 63.43,85 9.061,86 0.42,87 0.908,88 23.631,89 6.99,90 65.593,91 9.085,92 0.416,93 0.748,94 16.521,95 5.552,96 60.021,97 7.66,98 0.227,99 0.715,100 14.317,101 4.958,102 33.261,103 6.487,104 26,105 37,106 0.298,107 0.671,108 0.785,109 0.853,110 0.853,111 0.853,112 3.228,113 0.886,114 -4.8,115 -4.71,116 -4.43,119 42.5,120 1,121 1,139 6,140 3,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 8,169 1,170 4,172 3,173 4,175 4,178 11,180 1,182 4,187 5,189 9,191 1,193 7,195 1,196 1,197 1,198 6,200 2,201 4,204 4,205 1,207 6,210 2,211 1,212 5,214 1,215 6,218 3,226 1,229 7,231 1,233 2,234 3,236 1,237 1,238 1,239 2,240 1,241 10,243 1,246 2,251 1,254 6,256 1,260 4,262 1,263 1,265 3,268 2,270 3,273 798,274 15.74,275 15.74,276 15.74,277 15.74,278 15.74,279 13.4,280 18.935,281 9.125,282 16.08,283 12.811,284 12.811,285 12.811,286 12.811,287 12.811,288 9.34,289 23.997,290 4.357,291 13.422,292 3.627,293 1.506,294 0.857,295 0.469,296 0.469,297 0.469,298 3.905,299 1,300 1,301 1,302 1,303 548,304 3,307 207.655,311 108.29,314 1.566,315 26.155,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51.833,327 257,328 4.656,329 3.637,330 6.836,331 4.193,332 3.215,333 4.617,334 1.987,335 11.239,336 3.145,337 4.055,338 3.271,339 5.844,340 3.685,341 2.703,342 3.631,343 0.324,344 8.085,345 2.658,346 3.928,347 2.944,348 5.502,349 3.498,350 2.549,351 3.43,353 7.379,354 2.418,355 3.619,356 2.643,357 5.115,358 3.203,359 2.26,360 2.911,362 6.138,363 2.114,364 3.451,365 2.473,366 5.044,367 2.98,368 2.044,369 2.858,371 5.85,372 1.918,373 3.38,374 2.155,375 4.963,376 2.924,377 1.986,378 2.692,380 5.766,381 1.832,382 3.206,383 2.036,384 4.667,385 2.756,386 1.782,387 2.405,389 4.936,390 1.655,391 2.696,392 1.568,393 4.174,394 2.291,395 1.319,396 1.764,398 3.426,399 1.277,400 2.5,401 1,402 3.414,403 2,404 1,405 1.5,407 2.275,408 1,409 1.678,410 0.913,411 3.145,412 1.353,413 0.397,414 0.48,415 1,416 0.374,417 1.402,418 0.721,419 2.825,420 1.017,421 0.079,422 0.098,423 0.179,424 0.064,425 1.2,426 0.274,427 2.746,428 0.843,429 -0.111,430 -0.137,431 -0.289,432 -0.105,433 1.01,434 0.113,435 2.557,436 0.54,437 -0.393,438 -0.515,439 -1.062,440 -0.353,441 0.737,442 -0.135,443 2.143,444 0.324,445 -0.588,446 -0.681,448 -1.463,449 -0.477,450 0.632,451 -0.311,452 2,453 0.258,454 -0.706,455 -0.918,457 -1.664,458 -0.645,459 11.548,460 0.481,461 0.736,462 0.031,463 34.5,464 1.438,465 19,466 0.792,467 15.5,468 0.646,469 16.923,470 0.705,471 25.052,472 0.626,473 24.783,474 1.033,475 6.863,476 0.286,477 4.573,478 0.191,479 0.203,481 0.39,485 0.861,486 1.119,487 0.631,488 0.787,489 0.848,490 0.763,491 0.437,492 0.975,493 0.586,494 0.892,495 0.462,496 0.856,497 1.258,498 1.167,499 1.06,500 1.03,501 1.161,502 1.03,503 0.858,504 1.322,505 0.934,506 1.272,507 0.754,508 1.204,509 1.3,510 0.903,511 0.866,512 0.933,513 1.469,514 1.042,515 1.443,516 0.82,517 1.005,518 0.858,519 1.68,520 0.911,521 0.333,522 0.768,523 0.618,524 0.909,525 0.56,526 0.889,527 1.069,528 0.873,529 1.002,530 0.961,531 1.123,532 1.055,533 6,534 0.087,535 2.667,536 2.25,537 1.831,538 0.639,539 0.628,540 0.208,541 0.295,542 0.164,543 6358,544 20871,545 2.015,546 40,547 3,548 6,551 5,552 2,555 1.666,556 1.846,557 3.356,558 2.661,559 1,560 1,562 1,564 67.781,565 1.695,566 3.816,567 4.465,568 4.853,569 4.853,570 4.853,571 2.851,572 4.22,573 4.556,574 3.496,575 964.954,576 7.849,577 11326,578 1,579 1,580 1,581 1,582 212.877,583 1.528,584 4.493,585 0.231,586 0.006,587 0.072,588 0.059,589 0.054,590 0.024,591 0.029,592 0.009,593 0.016,594 0.009,595 0.508,596 0.17,597 1,598 0.663,599 114.48,600 -0.164,601 0.066,602 -0.014,603 0.118,604 -0.196,605 0.095,606 0.275,607 0.116,608 0.132,609 0.059,610 0.173,611 0.07,612 -0.268,613 -0.103,614 -0.191,615 -0.088,616 -0.209,617 -0.126,618 -0.005,619 -0.316,620 -0.115,621 -0.326,622 0.083,623 -0.253,624 -0.173,625 0.096,626 -0.111,627 -0.046,628 -0.178,629 -0.118,630 -0.231,631 0.054,632 -0.035,633 0.127,634 -0.238,635 0.103,636 0.587,637 0.157,638 0.262,639 0.082,640 0.477,641 0.129,642 -0.204,643 0.094,644 -0.146,645 0.014,646 -0.22,647 -0.066,648 1.797,649 5.268,650 0.667,651 20.188,652 1.012,653 1.128,654 3.572,655 12.757,656 0.698,657 3.296,658 3.638,659 3.871,660 4.143,661 4.344,662 4.344,663 4.394,664 4.419,665 4.5,666 4.419,667 6.084,668 0.67,669 341.83,670 3.296,671 4.844,672 5.687,673 6.572,674 7.432,675 8.32,676 9.188,677 10.078,678 10.952,679 11.843,680 12.5,684 2,687 1,690 2,694 2,695 6,696 2,700 6,702 17,711 2,717 1,718 40,719 18,720 2,721 26,723 42,724 17,725 14,726 6,727 6,729 3,730 4,731 1,734 1,739 1,741 15,742 2,744 1,748 1,751 1,753 1,754 1,757 16,758 6,759 5,760 7,761 1,764 5,769 0.667,770 1,776 1,781 3,785 1,790 1,802 2,806 1,807 1,810 24,811 2,816 1,817 1,828 1,829 2.5,832 1,836 13,837 7.376,838 5.194,839 2.152,840 3.26,841 1.465,842 1.012,843 4.558,844 10.275,845 3.597,846 4.263,847 4.844,848 5.47,849 6.04,850 6.281,851 6.607,852 6.93,853 7.261,854 7.215,855 1,856 38,857 8.805,859 3.741,860 7.921,861 16.396,863 13.217,865 2.421,866 58.111,869 1,870 129.482,871 94.494,872 117.376,873 39.149,874 25.145,877 94.494,878 193.776,879 117.376,880 8.825,881 20.545,882 122.652,883 63.421,884 17.346,885 4.227,886 129.482,887 39.149,888 129.482,889 211.871,890 25.145,891 39.149,893 129.482,894 25.145,897 33.414,898 144.886,899 72.72,901 129.482,902 142.521,903 133.643,906 129.482,907 28.812,908 65.683,909 18.011,910 163.659,911 129.482,912 142.521,913 133.643,915 0.591,916 0.338,917 0.185,918 0.101,919 18,920 9,921 0.071,922 3,923 1,924 1.125,925 3.565,926 192.044,927 0.125,928 16,929 106.039,933 16.493,934 6.633,935 3.607,936 1.335,937 142.521,938 10.702,939 8.133,943 3.406,945 83.805,946 405.646,947 35.5,951 12.268,954 -0.13,956 40.462,957 45.136,958 0.318,959 0.717,960 0.839,961 0.912,962 0.912,963 0.912,964 4.83,965 1.319,966 5.694,967 4.936,968 4.317,969 4.949,970 2.076,971 6.506,972 4.236,973 6.074,974 1,975 7.258,976 3.426,977 4.007,978 4.902,979 1.593,980 7.402,981 3.869,982 7.401,983 0.397,984 8.917,985 2.275,986 5.916,987 7.231,988 3.1,989 10.506,990 5.775,991 8.76,992 0.079,993 10.631,994 1,995 6.347,996 7.95,997 3.168,998 12.236,999 6.171,1000 10.146,1001 -0.111,1002 12.383,1003 0.179,1004 7.784,1005 9.809,1006 4.312,1007 14.899,1008 7.602,1009 11.553,1010 -0.393,1011 14.162,1012 -0.289,1013 8.579,1014 10.923,1015 4.654,1016 17.02,1017 8.374,1018 12.978,1019 -0.588,1020 15.965,1021 -1.062,1022 9.83,1023 12.586,1024 5.601,1025 19.526,1026 9.614,1027 3.215,1028 -0.706,1029 17.787,1030 -1.463,1031 10.809,1032 13.91,1033 6.091,1034 21.821,1035 10.576,1036 2.703,1037 11.239,1038 19.626,1039 -1.664,1040 11.989,1041 15.488,1042 6.927,1043 24.271,1044 11.741,1045 2.549,1046 8.085,1047 21.478,1048 4.617,1049 13.059,1050 16.918,1051 7.5,1052 26.639,1053 12.793,1054 2.26,1055 7.379,1056 23.343,1057 3.631,1058 14.216,1059 18.462,1060 8.273,1061 29.068,1062 13.933,1063 2.044,1064 6.138,1065 25.217,1066 3.43,1067 15.331,1068 19.943,1069 8.894,1070 31.466,1071 15.029,1072 1.986,1073 5.85,1074 27.1,1075 2.911,1076 16.483,1077 21.475,1078 9.631,1079 33.888,1080 16.163,1081 1.782,1082 5.766,1083 28.99,1084 2.858,1085 17.621,1086 22.98,1087 10.279,1088 36.298,1089 17.281,1090 6213,1091 11361,1092 16.819,1093 27.909,1094 39.104,1095 40.29,1096 40.486,1097 38.817,1098 38.668,1099 52.77,1100 4.622,1101 112.548,1102 36.91,1103 5.524,1104 5.637,1105 6.25,1106 5.264,1107 5.215,1108 7.617,1109 3.497,1110 18.501,1111 5.145,1112 13.715,1113 1.504,1114 1.55,1115 1.557,1116 1.493,1117 1.487,1118 2.03,1119 0.178,1120 4.329,1121 1.42,1122 4.084,1123 4.118,1124 4.062,1125 3.995,1126 7.429,1127 4.005,1128 3.92,1129 3.944,1130 3.99,1131 3.867,1132 5.305,1133 3.859,1134 3.577,1135 3.634,1136 3.581,1137 3.364,1138 4.982,1139 3.396,1140 3.383,1141 3.431,1142 3.402,1143 3.203,1144 4.938,1145 3.217,1146 3.217,1147 3.298,1148 3.149,1149 3.065,1150 4.699,1151 3.055,1152 3.03,1153 3.159,1154 3.085,1155 2.742,1156 4.325,1157 2.758,1158 2.914,1159 2.982,1160 2.826,1161 2.735,1162 4.22,1163 2.715,1164 2.854,1165 2.925,1166 2.687,1167 2.699,1168 3.926,1169 2.713,1170 0.179,1171 0.14,1172 0.263,1173 0.161,1174 0.124,1175 4.656,1176 0.178,1177 3.637,1178 0.076,1179 6.836,1180 0.432,1181 4.193,1182 0.121,1183 3.215,1184 4.617,1185 1.987,1186 11.239,1187 3.145,1188 2.026,1189 2,1190 2.088,1191 2.137,1192 1.24,1193 2.123,1194 1.908,1195 1.886,1196 2.008,1197 1.986,1198 1.158,1199 1.999,1200 1.475,1201 1.425,1202 1.61,1203 1.723,1204 0.7,1205 1.693,1206 1.317,1207 1.267,1208 1.557,1209 1.545,1210 0.621,1211 1.546,1212 1.22,1213 1.15,1214 1.464,1215 1.431,1216 0.427,1217 1.454,1218 0.946,1219 0.827,1220 1.264,1221 1.343,1222 0.218,1223 1.341,1224 0.886,1225 0.821,1226 1.181,1227 1.104,1228 0.082,1229 1.111,1230 0.843,1231 0.785,1232 1.067,1233 1.062,1235 1.107,1236 3.97,1238 5.303,1240 6.828,1242 8.448,1244 10.121,1246 1.857,1247 5.847,1250 11.548,1252 0.252,1253 2.893,1262 26.81,1263 67.781,1264 152.638,1265 178.612,1266 194.122,1267 194.122,1268 194.122,1269 41.763,1270 7.015,1271 106.92,1272 106.92,1273 18,1274 12.374,1275 4.248,1276 3.392,1277 39.434,1278 87,1279 94,1280 0.222,1281 171.614,1282 288.12,1283 410.498,1284 9959,1285 2.5,1286 17.267,1287 0.719,1288 0.573,1289 17.767,1290 13.762,1291 11.436,1292 0.44,1293 0.295,1294 7.254,1295 10.791,1296 7.015,1297 5.828,1298 11.724,1299 7.682,1300 10.79,1301 0.292,1302 0.159,1303 11.199,1304 5.887,1305 8.516,1306 0.181,1307 0.085,1308 8.805,1309 3.973,1310 7.369,1311 0.119,1312 0.043,1313 7.536,1314 2.685,1315 5.692,1316 0.075,1317 0.023,1318 5.928,1319 1.779,1320 0.35,1321 74.168,1322 0.244,1323 23.502,1324 0.606,1325 126,1326 374.186,1327 152.171,1328 402.071,1329 538.5,1330 372,1331 147,1332 377.077,1333 166.08,1334 394.813,1335 572.77,1336 371,1337 7.48}
{0 CHEMBL6950,1 1.516,2 5.857,3 0.061,4 0.004,5 56.934,6 7.57,7 0.733,8 3.346,9 3.509,10 2.9,11 2.816,12 4.592,13 2.823,14 3.764,15 3.951,16 3.246,17 3.181,18 5.002,19 3.155,20 3.951,21 4.162,22 3.264,23 3.272,24 5.097,25 3.232,26 3.965,27 4.198,28 3.085,29 3.165,30 5.154,31 3.084,32 3.897,33 4.179,34 2.717,35 2.92,36 4.954,37 2.8,38 3.645,39 3.969,40 2.231,41 2.501,42 4.761,43 2.335,44 3.207,45 3.569,46 1.51,47 1.964,48 4.066,49 1.768,50 2.472,51 2.8,52 1.072,53 1.379,54 3.565,55 1.195,56 0.069,57 0.419,58 5.248,59 1.55,60 13.495,61 2.414,62 0.142,63 0.605,64 8.387,65 3.133,66 18.734,67 4.5,68 0.109,69 0.676,70 10.583,71 3.229,72 16.008,73 5.133,74 0.147,75 0.616,76 11.138,77 3.372,78 24.895,79 5.368,80 0.153,81 0.49,82 11.371,83 2.741,84 26.628,85 4.821,86 0.218,87 0.323,88 9.533,89 2.08,90 32.196,91 3.667,92 0.125,93 0.176,94 6.531,95 1.196,96 18.454,97 2.346,98 0.062,99 0.085,100 2.874,101 0.689,102 11.555,103 1.185,104 11,105 21,106 0.305,107 0.684,108 0.798,109 0.869,110 0.869,111 0.869,112 2.735,113 0.844,114 -2.55,115 -2.57,116 -2.51,119 36,125 1,139 3,140 2,143 1,144 1,147 1,157 3,158 3,159 3,166 4,169 1,170 3,172 3,173 3,175 2,178 4,180 2,182 3,187 3,189 2,191 3,193 3,195 1,196 1,197 1,198 6,200 2,204 6,205 1,207 1,212 3,218 3,223 2,224 2,225 1,226 1,228 2,231 1,232 1,250 1,253 2,258 1,273 152,274 9.317,275 9.317,276 9.317,277 9.317,278 9.317,279 7.981,280 11.544,281 5.394,282 9.506,283 7.332,284 7.332,285 7.332,286 7.332,287 7.332,288 5.282,289 14.723,290 2.488,291 7.654,292 3.128,293 1.241,294 0.67,295 0.32,296 0.32,297 0.32,298 3.375,301 1,302 1,303 169,304 1.871,307 58.068,311 49.926,314 1.02,315 13.26,318 0.75,319 0.67,320 0.67,321 0.5,323 0.83,324 1,325 0.63,326 30.5,327 82,328 4.54,329 3.127,330 6.502,331 4.047,332 3.077,333 4.491,334 0.522,335 10.172,336 2.989,337 3.763,338 2.618,339 5.287,340 3.365,341 2.397,342 3.229,344 6.761,345 2.322,346 3.429,347 2.181,348 5.062,349 2.974,350 2.04,351 2.811,353 5.8,354 1.898,355 3.369,356 2.04,357 4.964,358 2.907,359 1.957,360 2.693,362 5.72,363 1.854,364 2.454,365 1.06,366 3.71,367 1.983,368 1.008,369 1.434,371 2.565,372 0.981,373 1.755,374 0.849,375 2.933,376 1.512,377 0.568,378 0.646,380 0.96,381 0.534,382 1.217,383 0.06,384 2.647,385 0.84,386 -0.091,387 -0.115,389 -0.182,390 -0.084,391 0.96,392 -0.298,393 2.487,394 0.476,395 -0.449,396 -0.578,398 -1.152,399 -0.413,400 0.569,401 -0.64,402 2.132,403 0.151,404 -0.815,405 -1.042,407 -1.992,408 -0.775,409 0.403,410 -0.747,411 1.558,412 0.085,413 -0.867,414 -1.147,415 -2.415,416 -0.839,417 -0.183,418 -1.232,419 1.411,420 -0.517,421 -1.483,422 -1.831,423 -3.906,424 -1.392,425 -0.236,426 -1.402,427 1.113,428 -0.606,429 -1.524,430 -2.02,431 -4.227,432 -1.428,433 -0.5,434 -1.734,435 1,436 -0.845,437 -1.818,438 -2.569,439 -5.211,440 -1.77,441 -0.5,442 -2,443 0.743,444 -1,445 -2,446 -3,448 -5.999,449 -1.875,450 -0.54,451 -2,452 0.453,453 -1.072,454 -2,455 -3,456 -0.522,457 -6.894,458 -2,459 6.5,460 0.464,461 0.383,462 0.027,463 20.25,464 1.446,465 11,466 0.786,467 9.25,468 0.661,469 7.275,470 0.52,471 15.1,472 0.604,473 12.14,474 0.867,475 4.083,476 0.292,477 2.62,478 0.187,479 0.185,481 0.385,485 1.354,486 1.159,487 0.886,488 0.791,489 1.534,490 0.759,491 0.482,492 0.9,493 0.7,494 0.952,495 0.526,496 0.878,497 1.02,498 1.275,499 0.92,500 1.088,501 0.771,502 1,503 0.856,504 1.278,505 1.084,506 1.339,507 0.849,508 1.265,509 1.173,510 1.219,511 1.173,512 1.202,513 1.227,514 1.189,515 1.071,516 0.644,517 1.189,518 0.91,519 1.059,520 1.047,521 1.357,522 0.587,523 1.074,524 0.602,525 1.323,526 0.76,527 0.722,528 0.601,529 1.045,530 0.948,531 0.855,532 1.039,533 3.5,535 1.556,536 1.063,537 1.098,538 0.292,539 0.141,540 0.059,543 1165,544 3464,545 1.993,546 44,548 5,551 6,555 1.513,556 1.826,557 2.585,558 4.448,564 37.904,565 1.516,566 3.403,567 3.974,568 4.324,569 4.324,570 4.324,571 2.236,572 3.379,573 3.779,574 2.619,575 238.3,576 6.318,577 1806.92,579 1,582 116.096,583 1.531,584 3.714,585 0.233,587 0.074,588 0.051,589 0.069,590 0.029,591 0.028,592 0.03,595 0.514,596 0.5,597 1,598 1.02,599 51.677,600 -0.375,601 0.105,602 -0.046,603 0.238,604 -0.48,605 0.168,606 0.344,607 0.272,608 0.16,609 0.126,610 0.218,611 0.112,612 -0.161,613 -0.186,614 -0.032,615 -0.056,616 -0.05,617 -0.026,618 0.029,619 -0.262,620 -0.171,621 -0.343,622 0.058,623 -0.301,624 -0.199,625 -0.339,626 -0.189,627 -0.279,628 -0.198,629 -0.239,630 0.071,631 0.145,632 -0.133,633 -0.073,634 0.071,635 -0.13,636 -0.241,637 0.069,638 0.04,639 0.22,640 -0.213,641 0.187,642 0.306,643 0.102,644 0.033,645 -0.08,646 0.418,647 -0.073,648 1.476,649 1.709,650 0.714,651 6.531,652 1.006,653 1.149,654 1.32,655 1.741,656 0.653,657 2.773,658 3.091,659 3.332,660 3.584,661 3.807,662 3.761,663 3.664,664 3.526,665 3.367,666 2.708,667 3.533,668 0.627,669 189.25,670 2.773,671 4.29,672 5.13,673 6.009,674 6.87,675 7.753,676 8.621,677 9.505,678 10.376,679 11.259,680 20,681 1,684 2,690 2,694 2,695 3,696 2,700 3,702 11,711 2,718 25,719 11,720 1,721 15,723 26,724 9,725 8,726 3,727 3,729 2,730 3,734 1,741 8,742 1,754 1,757 11,758 5,759 6,760 5,764 5,769 0.5,776 1,781 2,785 1,797 1,802 1,810 14,811 3,816 1,836 7.667,837 4.15,838 3.139,839 1.228,840 2.376,841 1.413,842 1.026,843 2.133,844 8.125,845 3.068,846 3.75,847 4.388,848 5.03,849 5.645,850 5.91,851 6.188,852 6.436,853 6.7,854 6.049,855 1,856 21,857 5.088,858 0.002,859 2.113,860 7.917,861 9.466,862 0.001,863 7.495,864 -0.001,865 2.417,866 33.833,867 0.003,870 58.856,871 42.664,872 132.263,877 42.664,878 58.856,879 132.263,881 35.003,882 94.223,883 33.571,884 7.903,885 4.227,886 58.856,888 58.856,889 174.927,893 58.856,897 39.046,898 102.31,899 33.571,901 58.856,902 132.263,903 42.664,906 58.856,907 14.235,908 28.429,910 132.263,911 58.856,912 132.263,913 42.664,915 0.581,916 0.343,917 0.187,918 0.106,919 11,920 5,921 0.038,922 1,923 1,924 1.2,925 2.555,926 89.146,927 0.2,928 10,929 53.303,933 9.027,934 3.308,935 1.595,936 1.536,937 132.263,938 5.615,939 7.939,943 1.58,945 98.692,946 233.782,947 20.5,956 25.16,957 28.737,958 0.326,959 0.733,960 0.856,961 0.931,962 0.931,963 0.931,964 4.273,965 -0.449,966 5.13,967 -0.182,968 3.761,969 4.431,970 0.434,971 5.938,972 3.682,973 5.518,974 -0.815,975 6.691,976 -1.152,977 3.434,978 4.407,980 6.823,981 3.319,982 6.849,983 -0.867,984 8.347,985 -1.992,986 5.352,987 6.771,988 0.138,989 9.9,990 5.207,991 8.217,992 -1.483,993 10.056,994 -2.415,995 5.771,996 7.521,998 11.574,999 5.598,1000 9.612,1001 -1.524,1002 11.799,1003 -3.906,1004 7.213,1005 9.399,1006 0.039,1007 14.194,1008 7.015,1009 11.028,1010 -1.818,1011 13.566,1012 -4.227,1013 7.996,1014 10.535,1016 16.229,1017 7.772,1018 12.461,1019 -2,1020 15.352,1021 -5.211,1022 9.243,1023 12.203,1024 0.011,1025 18.675,1026 8.994,1027 3.077,1028 -2,1029 17.153,1030 -5.999,1031 10.206,1032 13.533,1034 20.873,1035 9.93,1036 2.397,1037 10.172,1038 18.967,1039 -6.894,1040 11.374,1041 15.108,1042 0.003,1043 23.246,1044 11.073,1045 2.04,1046 6.761,1047 20.792,1048 4.491,1049 12.423,1050 16.532,1052 25.514,1053 12.094,1054 1.957,1055 5.8,1056 22.625,1057 3.229,1058 13.561,1059 18.065,1060 0.001,1061 27.857,1062 13.205,1063 1.008,1064 5.72,1065 24.465,1066 2.811,1067 14.65,1068 19.532,1070 30.154,1071 14.265,1072 0.568,1073 2.565,1074 26.312,1075 2.693,1076 15.776,1077 21.047,1079 32.484,1080 15.365,1081 -0.091,1082 0.96,1083 28.163,1084 1.434,1085 16.884,1086 22.534,1088 34.794,1089 16.443,1090 1244,1091 2207,1092 9.652,1093 16.313,1094 22.22,1095 22.244,1096 23.315,1097 22.134,1098 22.095,1099 30.606,1100 1.043,1101 63.956,1102 21.155,1103 5.08,1104 5.127,1105 6.049,1106 5.119,1107 5.077,1108 7.491,1109 1.043,1110 17.066,1111 4.989,1112 7.092,1113 1.481,1114 1.483,1115 1.554,1116 1.476,1117 1.473,1118 2.04,1119 0.07,1120 4.264,1121 1.41,1122 4.066,1123 4.102,1124 4.035,1125 3.979,1126 5.309,1127 3.987,1128 3.552,1129 3.628,1130 3.473,1131 3.355,1132 5.023,1133 3.378,1134 3.199,1135 3.304,1136 3.051,1137 2.974,1138 4.979,1139 2.98,1140 3.126,1141 3.236,1142 3,1143 2.848,1144 4.65,1145 2.875,1146 2.724,1147 2.833,1148 2.521,1149 2.427,1150 4.12,1151 2.436,1152 2.655,1153 2.776,1154 2.475,1155 2.364,1156 3.801,1157 2.381,1158 2.249,1159 2.402,1160 2.004,1161 1.805,1162 3.461,1163 1.827,1164 2.118,1165 2.272,1166 1.798,1167 1.697,1168 3.105,1169 1.688,1170 0.303,1171 0.208,1172 0.433,1173 0.27,1174 0.205,1175 4.54,1176 0.299,1177 3.127,1178 0.035,1179 6.502,1180 0.678,1181 4.047,1182 0.199,1183 3.077,1184 4.491,1185 0.522,1186 10.172,1187 2.989,1188 2.018,1189 1.991,1190 2.088,1191 2.128,1192 1.22,1193 2.116,1194 1.482,1195 1.417,1196 1.655,1197 1.731,1198 0.709,1199 1.718,1200 1.146,1201 1.06,1202 1.41,1203 1.449,1204 0.338,1205 1.449,1206 1.034,1207 0.94,1208 1.292,1209 1.386,1210 0.103,1211 1.371,1212 0.691,1213 0.57,1214 1.056,1215 0.989,1217 1.019,1218 0.593,1219 0.481,1220 0.937,1221 0.952,1223 0.96,1224 0.191,1225 0.015,1226 0.745,1227 0.638,1229 0.686,1230 0.089,1232 0.498,1233 0.459,1235 0.475,1236 3.434,1238 4.745,1240 6.271,1242 7.901,1244 9.584,1250 16.692,1252 0.472,1262 15.687,1263 37.904,1264 85.077,1265 99.342,1266 108.096,1267 108.096,1268 108.096,1269 15.404,1270 5.749,1271 103.84,1272 103.84,1273 12,1274 11.795,1275 3.585,1276 2.7,1277 21.224,1278 30,1279 30,1280 0.389,1281 101.649,1282 159.54,1283 239.784,1284 1694,1286 10.129,1287 0.724,1288 0.54,1289 10.129,1290 7.566,1291 6.703,1292 0.447,1293 0.281,1294 4.159,1295 6.457,1296 4.075,1297 3.401,1298 6.703,1299 4.222,1300 6.065,1301 0.289,1302 0.144,1303 6.065,1304 3.023,1305 4.944,1306 0.183,1307 0.076,1308 4.944,1309 2.043,1310 4.142,1311 0.118,1312 0.038,1313 4.142,1314 1.345,1315 3.272,1316 0.074,1317 0.02,1318 3.272,1319 0.892,1320 0.562,1321 41.964,1322 0.322,1323 13.794,1324 1.201,1325 72,1326 199.227,1327 79.077,1328 202.663,1329 280.97,1330 188,1331 84,1332 214.746,1333 90.328,1334 220.21,1335 320.45,1336 207,1337 5.03}
{0 CHEMBL69681,1 1.698,2 10.24,3 1.314,4 1.727,5 97.618,6 7.654,7 0.593,8 3.938,9 4.068,10 3.509,11 3.323,12 5.142,13 3.359,14 4.422,15 4.599,16 3.845,17 3.674,18 5.575,19 3.696,20 4.505,21 4.658,22 3.95,23 3.801,24 5.665,25 3.811,26 4.664,27 4.84,28 3.965,29 3.871,30 5.839,31 3.841,32 4.822,33 5.054,34 3.69,35 3.842,36 5.849,37 3.765,38 4.695,39 4.946,40 3.474,41 3.747,42 5.589,43 3.629,44 4.591,45 4.88,46 3.467,47 3.619,48 5.468,49 3.508,50 4.457,51 4.729,52 3.505,53 3.465,54 5.423,55 3.416,56 0.143,57 0.68,58 9.445,59 3.211,60 13.481,61 4.498,62 0.49,63 0.977,64 17.968,65 5.555,66 34.61,67 7.462,68 0.47,69 1.125,70 17.987,71 5.668,72 24.411,73 8.226,74 0.554,75 1.218,76 21.735,77 7.479,78 37.121,79 10.547,80 0.888,81 1.193,82 29.436,83 7.403,84 65.55,85 10.961,86 0.598,87 1.049,88 26.064,89 7.492,90 43.763,91 11.308,92 0.436,93 0.933,94 24.246,95 6.984,96 38.275,97 11.131,98 0.481,99 0.804,100 21.163,101 5.415,102 35.528,103 8.733,104 35,105 38,106 0.294,107 0.648,108 0.742,109 0.768,110 0.779,111 0.811,112 3.267,113 0.833,114 -2.24,115 -2.28,116 -2.25,119 35.6,124 3,125 1,139 2,140 2,141 4,144 1,147 1,148 1,155 1,157 2,158 2,159 2,166 1,169 1,170 4,172 3,173 4,175 6,178 1,180 1,181 2,182 4,187 2,191 1,192 1,193 2,195 1,196 4,197 4,198 1,200 4,201 2,204 1,205 1,210 3,211 1,212 1,214 1,215 2,218 1,221 2,226 2,234 7,238 1,239 2,240 1,243 2,246 1,249 2,259 4,262 2,263 3,265 2,270 2,273 823,274 16.989,275 16.989,276 16.989,277 16.989,278 16.989,279 15.037,280 26.188,281 9.751,282 17.79,283 13.119,284 13.119,285 13.119,286 13.119,287 13.119,288 9.934,289 40.004,290 4.322,291 14.13,292 3.793,293 1.746,294 1.201,295 1.051,296 0.99,297 0.806,298 3.945,300 1,301 1,302 1,303 539,304 3.082,306 55.623,307 150.606,310 104.171,314 1.37,315 25.205,318 0.75,319 0.67,320 0.83,321 0.7,323 0.83,324 1,325 0.68,326 56,327 256,328 4.638,329 3.374,330 6.78,331 4.155,332 3.189,333 4.608,334 0.86,335 11.108,336 3.085,337 4.419,338 3.267,339 6.523,340 4.003,341 3.059,342 4.104,343 0.86,344 10.257,345 2.88,346 3.72,347 2.615,348 5.358,349 3.313,350 2.378,351 3.159,352 0.86,353 6.893,354 2.22,355 3.554,356 2.555,357 5.241,358 3.162,359 2.223,360 2.876,361 0.657,362 6.553,363 2.081,364 3.405,365 2.398,366 5.19,367 2.972,368 2.061,369 2.785,371 6.118,372 1.867,373 3.355,374 2.067,375 5.063,376 2.899,377 1.98,378 2.604,380 5.79,381 1.818,382 3.047,383 1.992,384 4.756,385 2.666,386 1.714,387 2.221,389 4.964,390 1.627,391 2.314,392 1.88,393 3.809,394 1.998,395 1.167,396 1.253,398 2.511,399 0.965,400 2.217,401 1.072,402 3.589,403 1.783,404 0.859,405 1.18,407 2.102,408 0.791,409 1.782,410 0.916,411 3.193,412 1.522,413 0.605,414 0.693,415 1.388,416 0.552,417 1.576,418 0.907,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.396,426 0.761,427 2.687,428 1.146,429 0.301,430 0.323,431 0.39,432 0.253,433 1.114,434 0.163,435 2.527,436 0.711,437 -0.212,438 -0.262,439 -0.507,440 -0.195,441 0.916,442 -0.097,443 2.469,444 0.517,445 -0.396,446 -0.494,448 -0.862,449 -0.358,450 0.743,451 -0.296,452 2.294,453 0.374,454 -0.532,455 -0.631,457 -1.228,458 -0.479,459 11.4,460 0.456,461 0.606,462 0.024,463 34.5,464 1.38,465 17,466 0.68,467 17.5,468 0.7,469 17.896,470 0.716,471 28.2,472 0.627,473 26.215,474 1.049,475 7.263,476 0.291,477 4.804,478 0.192,479 0.202,481 0.395,485 1.089,486 1.48,487 0.813,488 1.185,489 1.207,490 0.95,491 1.284,492 0.828,493 0.78,494 0.721,495 0.841,496 0.667,497 0.941,498 1.422,499 0.902,500 1.178,501 0.893,502 1.04,503 0.704,504 1.294,505 0.985,506 1.426,507 0.629,508 1.304,509 1.486,510 0.799,511 1.383,512 0.938,513 1.467,514 1.114,515 1.114,516 0.969,517 1.183,518 1.058,519 1.017,520 1.136,521 0.618,522 0.896,523 0.729,524 0.918,525 0.576,526 0.857,527 0.836,528 0.845,529 0.685,530 0.775,531 0.864,532 0.699,533 5.5,534 0.144,535 2.889,536 2.472,537 1.854,538 0.67,539 0.416,540 0.255,541 0.368,542 0.272,543 6746,544 20659,545 2.015,546 44.4,548 13,549 1,551 6,555 1.68,556 1.852,557 3.298,558 3.569,559 1,560 1,564 76.43,565 1.698,566 3.746,567 4.291,568 4.441,569 4.502,570 4.686,571 2.679,572 4.134,573 4.62,574 3.447,575 1034.21,576 7.985,577 12567.7,579 1,582 247.133,583 1.516,584 4.555,585 0.204,586 0.008,587 0.076,588 0.06,589 0.048,590 0.024,591 0.018,592 0.011,593 0.015,594 0.011,595 0.475,596 0.17,597 1,598 1.017,599 120.476,600 -0.181,601 -0.187,602 0.026,603 -0.08,604 -0.257,605 0.022,606 -0.11,607 0.269,608 0.168,609 0.312,610 0.087,611 0.293,612 0.034,613 -0.224,614 -0.022,615 -0.106,616 -0.043,617 -0.07,618 0.217,619 -0.163,620 -0.088,621 -0.365,622 0.233,623 -0.318,624 -0.308,625 0.163,626 -0.379,627 -0.008,628 -0.365,629 -0.184,630 -0.196,631 -0.054,632 -0.203,633 -0.052,634 -0.222,635 -0.122,636 0.085,637 -0.036,638 0.263,639 0.084,640 0.188,641 0.198,642 0.091,643 0.026,644 0.337,645 0.18,646 0.081,647 0.305,648 1.531,649 1.965,650 0.6,651 19.59,652 1.017,653 1.145,654 1.012,655 1.023,656 0.638,657 3.332,658 3.664,659 3.97,660 4.263,661 4.394,662 4.431,663 4.454,664 4.511,665 4.585,666 4.663,667 6.043,668 0.621,669 344.42,670 3.332,671 4.875,672 5.74,673 6.635,674 7.514,675 8.412,676 9.295,677 10.193,678 11.078,679 11.976,680 13.3,684 2,685 1,688 1,690 2,694 2,695 3,696 2,697 1,700 7,702 16,711 2,712 1,716 3,718 45,719 16,720 1,721 27,723 47,724 16,725 12,726 4,727 2,729 3,730 4,741 12,742 4,753 1,754 1,757 20,758 8,759 6,760 9,764 6,769 0.667,770 3,776 1,777 1,780 1,781 2,784 1,802 2,806 3,810 25,811 2,816 1,817 1,818 3,829 6.7,834 3,836 13.5,837 8.817,838 5.722,839 2.179,840 3.141,841 1.438,842 0.982,843 5.171,844 10.312,845 3.584,846 4.245,847 4.895,848 5.521,849 5.982,850 6.261,851 6.515,852 6.818,853 6.965,854 7.25,855 0.857,856 41,857 9.129,859 3.752,860 7.82,861 17.054,863 13.254,865 2.32,866 58,870 164.795,871 92.943,872 134.162,874 33,877 92.943,878 197.795,879 134.162,880 32.649,881 2.106,882 93.794,883 53.297,884 74.031,885 15.998,886 153.024,888 164.795,889 227.104,890 33,893 164.795,894 33,897 22.506,898 153.017,899 51.582,901 164.795,902 167.161,903 92.943,906 164.795,907 32.294,908 60.649,909 34.796,910 132.365,911 164.795,912 167.161,913 92.943,915 0.575,916 0.362,917 0.211,918 0.106,919 18,920 9,921 0.128,922 6,923 1,924 1.133,925 3.598,926 205.35,927 0.133,928 15,929 108.096,933 17.597,934 7.346,935 3.438,936 1.348,937 150.376,938 5.474,939 8.144,940 3.049,943 3.87,945 100.591,946 424.899,947 35,956 45.778,957 51.524,958 0.309,959 0.682,960 0.781,961 0.809,962 0.82,963 0.853,964 4.82,965 1.167,966 5.74,967 4.964,968 4.344,969 4.931,970 1.841,971 6.589,972 4.211,973 6.054,974 0.859,975 7.324,976 2.511,977 4.007,978 4.913,980 7.576,981 3.848,982 7.39,983 0.605,984 9.007,985 2.102,986 5.974,987 7.247,988 1.538,989 10.683,990 5.746,991 8.766,992 0.396,993 10.746,994 1.388,995 6.447,996 8.047,998 12.494,999 6.192,1000 10.173,1001 0.301,1002 12.523,1003 0.603,1004 7.894,1005 9.877,1006 1.278,1007 15.13,1008 7.59,1009 11.602,1010 -0.212,1011 14.326,1012 0.39,1013 8.74,1014 11.058,1016 17.286,1017 8.404,1018 13.049,1019 -0.396,1020 16.148,1021 -0.507,1022 9.992,1023 12.693,1024 1.053,1025 19.763,1026 9.616,1027 3.189,1028 -0.532,1029 17.986,1030 -0.862,1031 11.007,1032 14.053,1034 22.058,1035 10.596,1036 3.059,1037 11.108,1038 19.837,1039 -1.228,1040 12.188,1041 15.612,1042 0.858,1043 24.478,1044 11.74,1045 2.378,1046 10.257,1047 21.698,1048 4.608,1049 13.277,1050 17.054,1052 26.829,1053 12.793,1054 2.223,1055 6.893,1056 23.567,1057 4.104,1058 14.432,1059 18.582,1060 0.691,1061 29.228,1062 13.912,1063 2.061,1064 6.553,1065 25.442,1066 3.159,1067 15.553,1068 20.062,1070 31.601,1071 14.997,1072 1.98,1073 6.118,1074 27.323,1075 2.876,1076 16.7,1077 21.581,1078 0.549,1079 33.994,1080 16.109,1081 1.714,1082 5.79,1083 29.208,1084 2.785,1085 17.835,1086 23.079,1088 36.378,1089 17.207,1090 6688,1091 11813,1092 17.512,1093 28.728,1094 39.734,1095 40.994,1096 42.795,1097 39.733,1098 39.866,1099 52.518,1100 6.475,1101 117.353,1102 36.961,1103 5.48,1104 5.374,1105 6.323,1106 5.228,1107 5.189,1108 7.608,1109 1.72,1110 18.028,1111 5.085,1112 14.412,1113 1.472,1114 1.518,1115 1.585,1116 1.472,1117 1.477,1118 1.945,1119 0.24,1120 4.346,1121 1.369,1122 4.112,1123 4.159,1124 4.084,1125 3.973,1126 5.322,1127 3.995,1128 3.927,1129 3.94,1130 3.893,1131 3.816,1132 4.985,1133 3.832,1134 3.47,1135 3.548,1136 3.394,1137 3.226,1138 4.976,1139 3.259,1140 3.303,1141 3.379,1142 3.186,1143 3.02,1144 4.771,1145 3.05,1146 3.302,1147 3.355,1148 3.144,1149 3.006,1150 4.58,1151 3.026,1152 3.209,1153 3.288,1154 2.999,1155 2.898,1156 4.471,1157 2.9,1158 3.112,1159 3.223,1160 2.964,1161 2.826,1162 4.321,1163 2.842,1164 3.034,1165 3.148,1166 2.818,1167 2.729,1168 4.095,1169 2.749,1170 0.172,1171 0.125,1172 0.251,1173 0.154,1174 0.118,1175 4.638,1176 0.171,1177 3.374,1178 0.032,1179 6.78,1180 0.411,1181 4.155,1182 0.114,1183 3.189,1184 4.608,1185 0.86,1186 11.108,1187 3.085,1188 1.886,1189 1.869,1190 1.965,1191 2.03,1192 1.123,1193 2.008,1194 1.814,1195 1.782,1196 1.861,1197 1.992,1198 1.01,1199 1.956,1200 1.55,1201 1.488,1202 1.705,1203 1.772,1204 0.731,1205 1.76,1206 1.227,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.22,1213 1.15,1214 1.571,1215 1.536,1216 0.574,1217 1.54,1218 1.162,1219 1.073,1220 1.539,1221 1.497,1222 0.56,1223 1.51,1224 1.069,1225 0.969,1226 1.343,1227 1.393,1228 0.362,1229 1.392,1230 0.957,1231 0.845,1232 1.262,1233 1.339,1234 0.09,1235 1.339,1236 4.007,1238 5.333,1239 2.398,1240 6.862,1241 4.727,1242 8.491,1243 6.843,1244 10.173,1246 4.709,1250 11.578,1252 0.496,1253 3.304,1254 16.028,1262 27.96,1263 76.43,1264 168.55,1265 193.094,1266 199.849,1267 202.604,1268 210.869,1269 36.85,1270 7.17,1271 133.33,1272 133.33,1273 17,1274 12.502,1275 4.087,1276 3.17,1277 41.836,1278 93,1279 81,1280 0.227,1281 174.33,1282 289.47,1283 417.126,1284 11816,1286 17.974,1287 0.719,1288 0.569,1289 17.974,1290 14.213,1291 12.066,1292 0.447,1293 0.278,1294 7.285,1295 11.278,1296 7.05,1297 5.921,1298 12.066,1299 7.498,1300 10.552,1301 0.278,1302 0.139,1303 10.552,1304 5.272,1305 9.082,1306 0.175,1307 0.073,1308 9.082,1309 3.806,1310 8.122,1311 0.116,1312 0.038,1313 8.122,1314 2.665,1315 6.009,1316 0.075,1317 0.021,1318 6.009,1319 1.653,1320 0.354,1321 78.047,1322 0.239,1323 24.119,1324 0.623,1325 130,1326 435.787,1327 148.516,1328 410.412,1329 563.85,1330 386,1331 155,1332 418.622,1333 174.015,1334 425.188,1335 619.87,1336 394,1337 4.25}
{0 CHEMBL6970,1 1.381,2 8.421,3 2.879,4 8.287,5 78.686,6 6.875,7 0.571,8 3.702,9 3.848,10 3.201,11 3.259,12 4.768,13 3.22,14 4.226,15 4.412,16 3.553,17 3.676,18 5.236,19 3.596,20 4.525,21 4.76,22 3.56,23 3.819,24 5.38,25 3.701,26 4.588,27 4.857,28 3.427,29 3.764,30 5.441,31 3.61,32 4.522,33 4.801,34 3.26,35 3.656,36 5.365,37 3.495,38 4.433,39 4.739,40 3.036,41 3.509,42 5.23,43 3.325,44 4.183,45 4.498,46 2.917,47 3.256,48 4.968,49 3.084,50 3.782,51 4.06,52 2.721,53 2.894,54 4.819,55 2.79,56 0.053,57 0.576,58 8.35,59 3.185,60 9.187,61 4.643,62 0.158,63 0.915,64 14.588,65 6.095,66 19.908,67 8.617,68 0.139,69 1.128,70 20.468,71 7.447,72 17.913,73 11.168,74 0.211,75 1.13,76 22.424,77 7.943,78 30.612,79 11.986,80 0.2,81 1.037,82 21.236,83 6.859,84 29.169,85 10.67,86 0.196,87 0.899,88 19.761,89 6.402,90 29.344,91 9.968,92 0.099,93 0.684,94 15.274,95 5.416,96 18.49,97 8.313,98 0.108,99 0.508,100 10.138,101 2.718,102 18.83,103 4.511,104 5,105 29,106 0.251,107 0.602,108 0.723,109 0.817,110 0.85,111 0.85,112 3.01,113 0.953,114 -4.53,115 -4.46,116 -4.2,119 40.5,121 4,122 1,139 5,140 2,143 1,144 1,147 1,157 2,158 2,159 2,166 12,169 1,170 3,172 3,173 3,175 1,178 15,180 1,182 3,187 1,189 13,191 1,193 3,195 1,196 1,197 1,198 4,200 2,201 9,204 4,205 1,207 3,212 4,215 9,218 4,221 2,226 2,229 6,231 2,234 4,239 3,241 2,243 3,246 4,251 3,256 3,260 2,265 3,270 3,273 377,274 12.878,275 12.878,276 12.878,277 12.878,278 12.878,279 11.298,280 13.839,281 7.707,282 13.056,283 10.405,284 10.405,285 10.405,286 10.405,287 10.405,288 8.109,289 13.245,290 3.724,291 10.705,292 3.829,293 1.905,294 1.24,295 0.723,296 0.541,297 0.541,298 3.692,300 1,301 1,302 1,303 347,304 2,307 144.355,311 74.99,314 1.346,315 13.128,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 40,327 160,328 4.418,329 3.273,330 6.503,331 4.052,332 3.081,333 4.092,335 10.179,336 2.997,337 3.928,338 2.793,339 5.559,340 3.61,341 2.618,342 3.455,344 7.625,345 2.598,346 3.537,347 2.369,348 5.097,349 3.22,350 2.254,351 2.829,353 6.245,354 2.182,355 3.323,356 2.221,357 5.058,358 2.964,359 2.023,360 2.563,362 5.797,363 1.895,364 3.188,365 2.036,366 4.913,367 2.887,368 1.928,369 2.314,371 5.604,372 1.84,373 2.822,374 1.496,375 3.71,376 2.412,377 1.413,378 1.932,380 3.038,381 1.411,382 2.5,383 1.297,384 3.593,385 2,386 1.006,387 1.5,389 2.565,390 1,391 2.091,392 1,393 3.247,394 1.981,395 1,396 1.066,398 2.136,399 0.978,400 1.428,401 0.394,402 2.949,403 1.22,404 0.248,405 0.281,407 0.637,408 0.24,409 1.036,410 -0.041,411 2.67,412 0.724,413 -0.24,414 -0.289,415 -0.616,416 -0.231,417 0.85,418 -0.292,419 2.508,420 0.475,421 -0.453,422 -0.558,423 -1.162,424 -0.419,425 0.5,426 -0.541,427 2.233,428 0.182,429 -0.798,430 -0.863,431 -1.913,432 -0.763,433 0.484,434 -0.653,435 1.719,436 0.142,437 -0.817,438 -0.962,439 -2.327,440 -0.803,441 0.265,442 -1,443 1.555,445 -1,446 -1.425,448 -2.347,449 -1,450 0.082,451 -1.097,452 1.472,453 -0.177,454 -1.16,455 -1.5,457 -3.03,458 -1.139,459 9.1,460 0.479,461 0.452,462 0.024,463 25,464 1.316,465 13,466 0.684,467 12,468 0.632,469 14.107,470 0.742,471 20.3,472 0.549,473 14.577,474 0.767,475 4.587,476 0.241,477 4.633,478 0.244,479 0.088,481 0.33,485 1.137,486 1.13,487 0.907,488 0.947,489 1.245,490 0.909,491 0.357,492 1.002,493 0.871,494 1.113,495 0.361,496 1.06,497 0.953,498 1.146,499 1.048,500 1.132,501 0.802,502 1.105,503 0.815,504 1.035,505 1.044,506 1.116,507 0.803,508 1.107,509 1.249,510 0.989,511 1.157,512 1.037,513 1.358,514 1.078,515 1.151,516 0.797,517 1.054,518 0.885,519 1.21,520 0.946,521 0.513,522 0.93,523 0.674,524 0.863,525 0.485,526 0.799,527 1.601,528 1.125,529 1.056,530 0.91,531 1.449,532 0.921,533 4,534 0.025,535 1.556,536 1.25,537 1.169,538 0.243,539 0.383,540 0.161,541 0.107,542 0.078,543 3361,544 7789,545 2.113,546 48.6,547 7,548 5,551 4,552 2,555 1.601,556 2,557 3.065,558 1.935,560 1,562 1,564 51.088,565 1.381,566 3.304,567 3.97,568 4.486,569 4.669,570 4.669,571 2.531,572 4.037,573 4.22,574 3.167,575 541.608,576 7.176,577 5238.67,578 1,579 1,581 1,582 192.75,583 1.324,584 4.189,585 0.19,586 0.008,587 0.054,588 0.045,589 0.051,590 0.013,591 0.026,592 0.012,593 0.01,594 0.011,595 0.419,596 0.33,597 1,598 0.565,599 82.133,600 -0.158,601 0.093,602 0.021,603 0.119,604 -0.176,605 0.094,606 0.422,607 0.105,608 0.052,609 -0.044,610 0.336,611 -0.038,612 -0.087,613 -0.126,614 -0.1,615 -0.119,616 -0.071,617 -0.112,618 0.078,619 -0.079,620 -0.081,621 -0.133,622 0.064,623 -0.126,624 -0.206,625 -0.028,626 -0.177,627 -0.088,628 -0.259,629 -0.123,630 -0.169,631 0.105,632 -0.067,633 0.059,634 -0.193,635 0.016,636 0.199,637 -0.102,638 0.301,639 0.122,640 0.245,641 0.206,642 -0.194,643 -0.119,644 -0.036,645 -0.026,646 -0.079,647 -0.016,648 1.377,649 1.967,650 0.842,651 13.008,652 0.989,653 1.132,654 3.3,655 10.891,656 0.658,657 3.091,658 3.401,659 3.638,660 3.912,661 4.143,662 4.111,663 4.205,664 4.277,665 4.369,666 4.234,667 4.926,668 0.615,669 254.37,670 3.091,671 4.615,672 5.451,673 6.323,674 7.175,675 8.052,676 8.913,677 9.791,678 10.657,679 11.536,680 10.8,684 2,690 2,695 5,696 2,700 5,702 12,711 2,718 37,719 12,720 1,721 21,723 39,724 15,725 10,726 1,727 5,729 3,730 4,736 3,737 1,739 4,741 10,742 5,743 1,754 1,757 18,758 4,759 4,760 4,764 4,769 0.667,776 1,781 3,785 1,802 2,810 19,811 2,816 4,820 1,836 9.5,837 6.317,838 4.139,839 2.228,840 2.21,841 1.333,842 1.01,843 3.282,844 8.842,845 3.332,846 3.912,847 4.419,848 4.943,849 5.419,850 5.394,851 5.524,852 5.8,853 6.139,854 6.317,855 0.833,856 28,857 7.003,859 2.962,860 7.588,861 13.695,863 11.544,865 2.088,866 39.667,867 0.002,870 164.795,871 70.874,872 99.365,877 70.874,878 164.795,879 99.365,881 10.138,882 113.176,883 33.571,884 9.128,885 4.227,886 164.795,888 164.795,889 170.24,893 164.795,897 14.794,898 121.875,899 33.571,901 164.795,902 99.365,903 70.874,906 164.795,907 23.493,908 47.381,910 99.365,911 164.795,912 99.365,913 70.874,915 0.579,916 0.329,917 0.184,918 0.103,919 15,920 6,921 0.051,922 2,923 1,924 1.125,925 3.199,926 139.592,927 0.125,928 16,929 76.711,933 12.277,934 5.079,935 2.649,937 99.365,938 10.583,939 8.376,943 4.361,945 65.794,946 335.035,947 27,956 36.592,957 41.9,958 0.265,959 0.634,960 0.762,961 0.861,962 0.896,963 0.896,964 4.554,965 1,966 5.425,967 2.565,968 4.078,969 4.595,971 6.201,972 4.024,973 5.741,974 0.248,975 6.956,976 2.136,977 3.611,978 4.311,980 6.986,981 3.516,982 7.031,983 -0.24,984 8.583,985 0.637,986 5.631,987 6.726,989 10.088,990 5.529,991 8.35,992 -0.453,993 10.267,994 -0.616,995 5.943,996 7.216,998 11.702,999 5.802,1000 9.699,1001 -0.798,1002 11.988,1003 -1.162,1004 7.451,1005 9.133,1007 14.321,1008 7.303,1009 11.07,1010 -0.817,1011 13.736,1012 -1.913,1013 8.157,1014 10.022,1016 16.319,1017 7.973,1018 12.46,1019 -1,1020 15.505,1021 -2.327,1022 9.437,1023 11.701,1025 18.756,1026 9.242,1027 3.081,1028 -1.16,1029 17.291,1030 -2.347,1031 10.349,1032 12.813,1034 20.933,1035 10.12,1036 2.618,1037 10.179,1038 19.09,1039 -3.03,1040 11.529,1041 14.366,1043 23.297,1044 11.282,1045 2.254,1046 7.625,1047 20.902,1048 4.092,1049 12.545,1050 15.604,1052 25.554,1053 12.265,1054 2.023,1055 6.245,1056 22.723,1057 3.455,1058 13.684,1059 17.088,1061 27.891,1062 13.381,1063 1.928,1064 5.797,1065 24.552,1066 2.829,1067 14.752,1068 18.398,1070 30.182,1071 14.417,1072 1.413,1073 5.604,1074 26.389,1075 2.563,1076 15.875,1077 19.845,1079 32.508,1080 15.515,1081 1.006,1082 3.038,1083 28.231,1084 2.314,1085 16.969,1086 21.197,1088 34.815,1089 16.578,1090 3253,1091 5033,1092 14.216,1093 24.353,1094 31.327,1095 31.325,1096 31.541,1097 31.205,1098 31.145,1099 40.062,1101 87.649,1102 30.281,1103 5.363,1104 5.273,1105 6.305,1106 5.124,1107 5.081,1108 7.092,1110 17.073,1111 4.997,1112 7.325,1113 1.492,1114 1.492,1115 1.502,1116 1.486,1117 1.483,1118 1.908,1120 4.174,1121 1.442,1122 4.018,1123 4.061,1124 3.954,1125 3.928,1126 5.282,1127 3.925,1128 3.873,1129 3.91,1130 3.81,1131 3.788,1132 4.978,1133 3.79,1134 3.536,1135 3.607,1136 3.425,1137 3.361,1138 4.752,1139 3.372,1140 3.188,1141 3.277,1142 3.031,1143 3.023,1144 4.457,1145 3.009,1146 3.1,1147 3.2,1148 2.959,1149 2.871,1150 4.036,1151 2.883,1152 2.858,1153 2.974,1154 2.687,1155 2.735,1156 3.766,1157 2.715,1158 2.854,1159 2.925,1160 2.636,1161 2.618,1162 3.674,1163 2.615,1164 2.751,1165 2.852,1166 2.579,1167 2.484,1168 3.597,1169 2.498,1170 0.21,1171 0.156,1172 0.31,1173 0.193,1174 0.147,1175 4.418,1176 0.195,1177 3.273,1179 6.503,1180 0.485,1181 4.052,1182 0.143,1183 3.081,1184 4.092,1186 10.179,1187 2.997,1188 1.981,1189 1.945,1190 2.121,1191 2.099,1192 1.468,1193 2.104,1194 1.863,1195 1.828,1196 1.988,1197 1.97,1198 1.113,1199 1.977,1200 1.49,1201 1.427,1202 1.647,1203 1.71,1204 0.79,1205 1.705,1206 1.195,1207 1.119,1208 1.5,1209 1.422,1210 0.741,1211 1.445,1212 1.045,1213 0.96,1214 1.324,1215 1.352,1216 0.402,1217 1.359,1218 0.886,1219 0.821,1220 1.206,1221 1.157,1222 0.218,1223 1.193,1224 0.836,1225 0.727,1226 1.181,1227 1.062,1228 0.089,1229 1.107,1230 0.718,1231 0.611,1232 1.061,1233 1.011,1235 1.035,1236 3.761,1238 5.069,1240 6.581,1242 8.188,1244 9.846,1250 11.605,1252 4.127,1256 0.615,1262 22.773,1263 51.088,1264 122.246,1265 146.875,1266 165.995,1267 172.75,1268 172.75,1269 23.64,1270 6.632,1271 77.82,1272 77.82,1273 18,1274 12.075,1275 3.7,1276 2.807,1277 27.879,1278 57,1279 51,1280 0.251,1281 142.088,1282 237.34,1283 338.455,1284 5934,1286 13.242,1287 0.697,1288 0.571,1289 13.242,1290 10.842,1291 9.22,1292 0.439,1293 0.318,1294 6.619,1295 9.019,1296 6.469,1297 5.364,1298 9.22,1299 6.668,1300 8.397,1301 0.29,1302 0.179,1303 8.397,1304 5.191,1305 6.758,1306 0.183,1307 0.102,1308 6.758,1309 3.791,1310 5.879,1311 0.12,1312 0.058,1313 5.879,1314 2.852,1315 4.76,1316 0.077,1317 0.034,1318 4.76,1319 2.121,1320 0.385,1321 56.716,1322 0.265,1323 18.963,1324 0.706,1325 100,1326 227.915,1327 106.383,1328 232.903,1329 326.39,1330 218,1331 116,1332 249.324,1333 121.662,1334 256.323,1335 371.16,1336 242,1337 6.745}
{0 CHEMBL6971,1 1.626,2 9.238,3 4.208,4 17.703,5 88.295,6 8.736,7 0.522,8 3.718,9 3.845,10 3.411,11 3.323,12 4.827,13 3.284,14 4.244,15 4.409,16 3.837,17 3.759,18 5.332,19 3.683,20 4.553,21 4.756,22 4.022,23 3.932,24 5.562,25 3.814,26 4.607,27 4.854,28 3.692,29 3.844,30 5.538,31 3.691,32 4.538,33 4.799,34 3.482,35 3.723,36 5.436,37 3.563,38 4.455,39 4.736,40 3.406,41 3.61,42 5.328,43 3.432,44 4.225,45 4.492,46 3.439,47 3.435,48 5.161,49 3.267,50 3.851,51 4.049,52 3.336,53 3.155,54 5.06,55 3.04,56 0.055,57 0.554,58 6.279,59 3.017,60 9.62,61 3.997,62 0.143,63 0.881,64 12.803,65 5.988,66 19.633,67 8.036,68 0.26,69 1.088,70 26.419,71 8.16,72 31.03,73 10.824,74 0.287,75 1.109,76 26.214,77 8.8,78 40.626,79 12.055,80 0.297,81 1.026,82 24.996,83 7.756,84 42.543,85 10.671,86 0.307,87 0.882,88 25.791,89 7.498,90 41.935,91 10.295,92 0.216,93 0.645,94 24.66,95 6.728,96 28.694,97 8.995,98 0.215,99 0.462,100 17.814,101 3.765,102 26.174,103 4.594,104 17,105 33,106 0.296,107 0.649,108 0.77,109 0.86,110 0.89,111 0.89,112 3.103,113 0.995,114 -5.56,115 -5.43,116 -5.07,119 40.5,121 4,122 1,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 9,169 1,170 3,172 3,173 3,175 1,178 13,180 1,182 3,187 1,189 15,191 1,193 3,195 1,196 1,197 1,198 4,200 2,201 10,204 4,205 1,207 3,212 4,215 8,218 4,221 2,226 2,229 5,231 2,234 4,239 3,241 4,243 3,246 2,251 2,254 2,256 2,260 2,265 3,270 3,273 520,274 13.826,275 13.826,276 13.826,277 13.826,278 13.826,279 12.168,280 16.007,281 7.96,282 14.238,283 11.339,284 11.339,285 11.339,286 11.339,287 11.339,288 8.9,289 15.122,290 3.812,291 12.156,292 3.584,293 1.643,294 0.98,295 0.486,296 0.324,297 0.324,298 3.781,299 2,301 1,302 1,303 415,304 2.236,307 166.792,311 87.392,314 1.392,315 19.562,317 1,318 0.75,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.86,326 44.667,327 194,328 4.418,329 3.325,330 6.503,331 4.053,332 3.082,333 4.092,335 10.179,336 2.997,337 4.218,338 3.267,339 5.959,340 3.761,341 2.838,342 3.871,344 8.395,345 2.642,346 3.648,347 2.708,348 5.483,349 3.403,350 2.461,351 2.901,353 7.272,354 2.261,355 3.469,356 2.343,357 5.07,358 3.056,359 2.13,360 2.786,362 6.061,363 1.922,364 3.313,365 2.221,366 5.046,367 2.949,368 2.005,369 2.559,371 5.796,372 1.882,373 3.076,374 2.142,375 4.878,376 2.807,377 1.846,378 2.151,380 5.478,381 1.726,382 2.82,383 1.962,384 4.041,385 2.306,386 1.414,387 1.948,389 3.523,390 1.198,391 2.091,392 1.3,393 3.709,394 1.981,395 1.007,396 1.066,398 2.565,399 0.979,400 1.576,401 0.825,402 3.084,403 1.303,404 0.381,405 0.435,407 0.935,408 0.322,409 1.298,410 0.383,411 2.704,412 0.923,413 0.076,414 0.089,415 0.178,416 0.056,417 0.931,418 0.057,419 2.535,420 0.536,421 -0.334,422 -0.395,423 -0.899,424 -0.267,425 0.824,426 -0.255,427 2.383,428 0.454,429 -0.46,430 -0.562,431 -1.183,432 -0.412,433 0.596,434 -0.315,435 2.349,436 0.203,437 -0.713,438 -0.86,439 -1.857,440 -0.531,441 0.265,442 -0.555,443 2.083,444 0.146,445 -0.815,446 -0.882,448 -2.26,449 -0.782,450 0.184,451 -0.692,452 1.645,453 -0.071,454 -1,455 -1.163,457 -2.713,458 -0.873,459 10.529,460 0.501,461 0.647,462 0.031,463 26.5,464 1.262,465 13,466 0.619,467 13.5,468 0.643,469 18.206,470 0.867,471 22.471,472 0.607,473 15.908,474 0.758,475 4.747,476 0.226,477 5.277,478 0.251,479 0.212,481 0.38,485 0.82,486 1.116,487 0.565,488 0.747,489 0.973,490 0.778,491 0.432,492 0.979,493 0.571,494 0.88,495 0.366,496 0.909,497 0.824,498 1.142,499 0.779,500 1.002,501 0.728,502 1.043,503 0.751,504 1.039,505 0.808,506 1.041,507 0.762,508 1.094,509 0.964,510 1,511 0.853,512 0.993,513 1.143,514 1.089,515 0.983,516 0.793,517 0.866,518 0.848,519 1.096,520 0.94,521 0.984,522 0.914,523 1.072,524 0.932,525 0.868,526 0.85,527 2.128,528 1.096,529 1.877,530 1.161,531 1.992,532 1.072,533 5.5,534 0.062,535 2.444,536 1.625,537 1.471,538 0.41,539 0.505,540 0.233,541 0.23,542 0.164,543 4343,544 14463,545 2.045,546 43.2,547 7,548 3,551 4,552 2,555 1.629,556 1.881,557 3.187,558 1.921,560 1,564 60.146,565 1.626,566 3.566,567 4.229,568 4.723,569 4.885,570 4.885,571 2.684,572 4.202,573 4.366,574 3.297,575 692.423,576 7.464,577 7269.97,579 1,581 1,582 192.75,583 1.51,584 4.305,585 0.239,586 0.009,587 0.074,588 0.049,589 0.057,590 0.02,591 0.028,592 0.013,593 0.015,594 0.014,595 0.517,596 0.17,597 0.88,598 0.665,599 94.754,600 -0.139,601 0.103,602 -0.01,603 0.116,604 -0.166,605 0.092,606 0.224,607 0.125,608 0.078,609 0.038,610 0.274,611 0.025,612 0.001,613 -0.124,614 0.054,615 -0.052,616 0.032,617 -0.085,618 0.005,619 -0.074,620 -0.047,621 -0.102,622 0.024,623 -0.116,624 -0.164,625 -0.024,626 -0.109,627 -0.077,628 -0.239,629 -0.128,630 -0.131,631 0.124,632 -0.012,633 0.11,634 -0.186,635 0.058,636 0.003,637 -0.09,638 0.082,639 0.128,640 0.054,641 0.212,642 -0.502,643 -0.106,644 -0.345,645 -0.133,646 -0.468,647 -0.143,648 1.408,649 1.972,650 0.762,651 15.179,652 1.006,653 1.129,654 4.329,655 18.738,656 0.705,657 3.178,658 3.526,659 3.761,660 4.007,661 4.248,662 4.248,663 4.317,664 4.394,665 4.533,666 4.5,667 5.373,668 0.66,669 323.25,670 3.178,671 4.727,672 5.572,673 6.454,674 7.314,675 8.196,676 9.062,677 9.943,678 10.813,679 11.694,680 10.8,684 2,690 2,695 3,696 2,700 7,702 12,711 2,717 2,718 37,719 12,720 1,721 23,723 39,724 15,725 10,726 3,727 3,729 3,730 4,731 2,736 3,737 1,739 4,741 10,742 5,743 1,754 1,757 16,758 4,759 4,760 6,761 2,764 4,769 0.667,776 1,781 3,785 1,802 2,807 2,810 21,811 2,816 4,820 1,828 2,836 11.167,837 6.436,838 4.5,839 2.195,840 2.254,841 1.329,842 1.003,843 4.134,844 9.109,845 3.401,846 4.025,847 4.538,848 5.05,849 5.541,850 5.586,851 5.64,852 5.894,853 6.262,854 6.517,855 1,856 33,857 7.717,859 3.301,860 7.749,861 14.817,863 12.504,865 2.249,866 47.222,870 141.253,871 58.923,872 99.365,873 78.297,877 58.923,878 219.551,879 99.365,881 10.138,882 94.223,883 33.571,884 16.129,885 4.227,886 141.253,887 78.297,888 141.253,889 158.288,891 78.297,893 141.253,897 14.794,898 109.923,899 111.868,901 141.253,902 99.365,903 137.22,906 141.253,907 30.494,908 28.429,910 177.663,911 141.253,912 99.365,913 137.22,915 0.595,916 0.342,917 0.177,918 0.099,919 17,920 8,921 0.051,922 2,923 1,924 1.125,925 3.309,926 161.312,927 0.125,928 16,929 92.239,933 14.73,934 5.894,935 3.19,937 99.365,938 5.795,939 8.35,943 5.174,945 65.794,946 377.839,947 29,956 37.24,957 41.788,958 0.312,959 0.685,960 0.812,961 0.907,962 0.938,963 0.938,964 4.654,965 1.007,966 5.58,967 3.523,968 4.205,969 4.71,971 6.382,972 4.08,973 5.874,974 0.381,975 7.14,976 2.565,977 3.892,978 4.62,980 7.222,981 3.649,982 7.189,983 0.076,984 8.791,985 0.935,986 5.802,987 6.894,989 10.293,990 5.59,991 8.532,992 -0.334,993 10.491,994 0.178,995 6.217,996 7.532,998 11.901,999 5.899,1000 9.901,1001 -0.46,1002 12.223,1003 -0.899,1004 7.653,1005 9.349,1007 14.507,1008 7.363,1009 11.288,1010 -0.713,1011 13.977,1012 -1.183,1013 8.417,1014 10.339,1016 16.479,1017 8.047,1018 12.691,1019 -0.815,1020 15.748,1021 -1.857,1022 9.657,1023 11.954,1025 18.904,1026 9.298,1027 3.082,1028 -1,1029 17.532,1030 -2.26,1031 10.596,1032 13.129,1034 21.055,1035 10.18,1036 2.838,1037 10.179,1038 19.327,1039 -2.713,1040 11.753,1041 14.641,1043 23.408,1044 11.333,1045 2.461,1046 8.395,1047 21.132,1048 4.092,1049 12.777,1050 15.916,1052 25.644,1053 12.316,1054 2.13,1055 7.272,1056 22.946,1057 3.871,1058 13.9,1059 17.374,1061 27.971,1062 13.426,1063 2.005,1064 6.061,1065 24.766,1066 2.901,1067 14.967,1068 18.702,1070 30.248,1071 14.461,1072 1.846,1073 5.796,1074 26.593,1075 2.786,1076 16.078,1077 20.131,1079 32.565,1080 15.554,1081 1.414,1082 5.478,1083 28.425,1084 2.559,1085 17.166,1086 21.489,1088 34.862,1089 16.615,1090 4252,1091 7866,1092 15.027,1093 26.068,1094 34.637,1095 35.77,1096 35.895,1097 34.647,1098 34.482,1099 43.793,1101 100.762,1102 31.969,1103 5.363,1104 5.325,1105 5.819,1106 5.125,1107 5.082,1108 7.092,1110 17.073,1111 4.997,1112 11.346,1113 1.506,1114 1.555,1115 1.561,1116 1.506,1117 1.499,1118 1.904,1120 4.381,1121 1.39,1122 4.02,1123 4.061,1124 4.12,1125 3.94,1126 5.282,1127 3.935,1128 3.883,1129 3.909,1130 3.928,1131 3.807,1132 5.039,1133 3.808,1134 3.539,1135 3.606,1136 3.514,1137 3.372,1138 4.978,1139 3.381,1140 3.192,1141 3.277,1142 3.399,1143 3.041,1144 4.491,1145 3.026,1146 3.107,1147 3.199,1148 3.244,1149 2.893,1150 4.465,1151 2.899,1152 2.88,1153 2.973,1154 3.018,1155 2.791,1156 4.277,1157 2.764,1158 2.864,1159 2.921,1160 2.828,1161 2.646,1162 3.972,1163 2.642,1164 2.76,1165 2.851,1166 2.592,1167 2.487,1168 3.721,1169 2.501,1170 0.192,1171 0.145,1172 0.283,1173 0.176,1174 0.134,1175 4.418,1176 0.178,1177 3.325,1179 6.503,1180 0.443,1181 4.053,1182 0.13,1183 3.082,1184 4.092,1186 10.179,1187 2.997,1188 1.978,1189 1.946,1190 2.109,1191 2.096,1192 1.469,1193 2.1,1194 1.855,1195 1.83,1196 1.93,1197 1.943,1198 1.112,1199 1.95,1200 1.487,1201 1.428,1202 1.631,1203 1.701,1204 0.78,1205 1.697,1206 1.191,1207 1.12,1208 1.485,1209 1.42,1210 0.738,1211 1.439,1212 1.039,1213 0.961,1214 1.303,1215 1.34,1216 0.381,1217 1.349,1218 0.868,1219 0.824,1220 1.196,1221 1.147,1222 0.161,1223 1.183,1224 0.828,1225 0.729,1226 1.091,1227 1.019,1228 0.082,1229 1.059,1230 0.712,1231 0.611,1232 1.021,1233 0.98,1235 1.009,1236 3.85,1238 5.187,1240 6.718,1242 8.34,1244 10.008,1247 12.018,1250 11.614,1252 3.767,1256 0.504,1262 24.428,1263 60.146,1264 131.956,1265 156.485,1266 174.75,1267 180.75,1268 180.75,1269 32.204,1270 6.855,1271 77.82,1272 77.82,1273 18,1274 12.232,1275 3.7,1276 2.807,1277 32.302,1278 68,1279 62,1280 0.238,1281 158.754,1282 267.76,1283 379.12,1284 7850,1285 5.4,1286 14.983,1287 0.713,1288 0.617,1289 15.983,1290 12.955,1291 10.025,1292 0.436,1293 0.332,1294 6.884,1295 9.255,1296 6.664,1297 5.474,1298 10.602,1299 7.629,1300 9.526,1301 0.289,1302 0.19,1303 10.268,1304 6.268,1305 7.74,1306 0.184,1307 0.111,1308 8.655,1309 4.672,1310 6.33,1311 0.117,1312 0.06,1313 6.731,1314 3.225,1315 5.152,1316 0.075,1317 0.035,1318 5.521,1319 2.42,1320 0.37,1321 67.894,1322 0.258,1323 20.742,1324 0.661,1325 112,1326 296.321,1327 149.422,1328 357.123,1329 469.79,1330 330,1331 131,1332 304.049,1333 163.892,1334 330.61,1335 482.35,1336 311,1337 5.137}
{0 CHEMBL69713,1 1.75,2 14.706,3 0.75,4 0.562,5 121.381,6 8.33,7 0.472,8 4.14,9 4.253,10 3.757,11 3.607,12 5.466,13 3.636,14 4.608,15 4.751,16 4.124,17 3.986,18 6.034,19 3.986,20 4.9,21 5.075,22 4.202,23 4.154,24 6.168,25 4.136,26 5.013,27 5.205,28 4.181,29 4.157,30 6.314,31 4.132,32 5.007,33 5.21,34 4.176,35 4.117,36 6.434,37 4.091,38 4.907,39 5.092,40 4.118,41 4.05,42 6.425,43 4.023,44 4.857,45 5.06,46 3.975,47 3.952,48 6.337,49 3.911,50 4.675,51 4.896,52 3.813,53 3.805,54 5.911,55 3.763,56 0.259,57 0.852,58 9.572,59 4.345,60 41.576,61 5.071,62 0.627,63 1.294,64 17.025,65 7.421,66 96.5,67 9.301,68 0.794,69 1.583,70 25.78,71 9.307,72 120.199,73 11.935,74 0.997,75 1.636,76 31.382,77 10.356,78 160.396,79 13.217,80 1.211,81 1.55,82 32.924,83 10.53,84 198.65,85 13.678,86 1.078,87 1.405,88 28.644,89 9.965,90 191.989,91 12.897,92 1.145,93 1.302,94 28.616,95 9.122,96 185.05,97 11.858,98 0.638,99 1.123,100 24.091,101 8.028,102 101.336,103 10.979,104 79,105 50,106 0.285,107 0.676,108 0.819,109 0.888,110 0.894,111 0.894,112 3.56,113 0.839,114 -3.1,115 -3.09,116 -2.98,119 39.3,121 2,125 1,127 1,139 7,140 3,141 1,143 1,144 1,147 1,153 4,157 2,158 2,159 2,161 2,165 2,166 9,167 1,169 2,170 8,172 3,173 6,175 4,176 1,178 8,179 2,180 1,182 11,185 1,186 1,187 6,189 5,190 1,191 1,193 10,194 1,195 1,196 1,197 1,198 6,199 1,200 2,201 3,202 1,203 1,204 3,205 1,206 3,207 9,208 2,209 1,210 3,211 1,212 5,213 2,215 9,216 2,218 3,220 1,221 4,222 1,224 2,225 1,226 2,229 12,230 3,233 4,234 6,236 2,237 4,239 4,241 9,242 3,243 1,246 7,251 5,254 3,255 2,256 2,259 1,260 9,261 1,262 1,263 2,265 7,269 1,270 3,273 2148,274 22.248,275 22.248,276 22.248,277 22.248,278 22.248,279 19.653,280 27.315,281 12.967,282 22.583,283 17.665,284 17.665,285 17.665,286 17.665,287 17.665,288 13.631,289 32.02,290 6.069,291 18.162,292 4.058,293 1.659,294 0.779,295 0.357,296 0.321,297 0.321,298 4.237,301 1,303 1038,304 4.848,307 345.744,311 185.077,314 2.311,315 59.027,318 0.5,319 0.5,320 0.5,321 0.4,323 0.5,324 0.5,325 0.41,326 77,327 500,328 4.551,329 3.777,330 6.526,331 4.073,332 3.106,333 4.495,334 2.375,335 10.267,336 3.005,337 4.213,338 3.592,339 6.126,340 3.891,341 2.899,342 3.775,343 2.341,344 8.974,345 2.875,346 4.002,347 3.521,348 6.097,349 3.728,350 2.775,351 3.374,352 1.23,353 8.851,354 2.655,355 3.873,356 3.34,357 5.831,358 3.606,359 2.618,360 3.127,361 1.061,362 7.898,363 2.559,364 3.658,365 3.067,366 5.292,367 3.286,368 2.294,369 2.958,370 0.521,371 6.756,372 2.27,373 3.523,374 2.686,375 5.064,376 3.176,377 2.17,378 2.811,379 0.14,380 5.91,381 2.153,382 3.463,383 2.463,384 5.011,385 3.019,386 2.09,387 2.787,389 5.793,390 1.931,391 3.42,392 2.189,393 4.645,394 2.937,395 1.991,396 2.686,398 5.12,399 1.882,400 2.918,401 2.144,402 4.325,403 2.489,404 1.498,405 1.982,407 3.993,408 1.472,409 2.797,410 2.053,411 4.162,412 2.355,413 1.363,414 1.806,415 3.574,416 1.338,417 2.5,418 1.913,419 3.708,420 2.13,421 1.111,422 1.5,423 2.598,424 1.114,425 2.477,426 1.271,427 3.617,428 2,429 1.004,430 1.423,431 2.565,432 1,433 2.449,434 1.104,435 3.414,436 1.978,437 1,438 1.361,439 2.275,440 0.975,441 1.965,442 1.056,443 2.945,444 1.455,445 0.41,446 0.546,448 0.841,449 0.417,450 1.571,451 1,452 2.79,453 1.335,454 0.312,455 0.377,457 0.551,458 0.315,459 15.4,460 0.453,461 1,462 0.029,463 45.75,464 1.346,465 23.5,466 0.691,467 22.25,468 0.654,469 26.232,470 0.772,471 37.4,472 0.668,473 41.701,474 1.226,475 9.479,476 0.279,477 6.693,478 0.197,479 0.182,481 0.383,485 0.871,486 1.277,487 0.761,488 0.985,489 0.765,490 0.851,491 0.463,492 1.081,493 0.744,494 1.051,495 0.451,496 0.993,497 0.912,498 1.188,499 1.009,500 1.088,501 0.862,502 1.074,503 1.111,504 1.099,505 1.109,506 1.09,507 1.075,508 1.098,509 0.959,510 0.838,511 0.995,512 0.941,513 1.009,514 0.972,515 0.842,516 1.064,517 0.945,518 1.115,519 0.865,520 1.075,521 0.934,522 0.78,523 1.071,524 0.939,525 0.978,526 1.032,527 0.852,528 1.085,529 0.836,530 1.04,531 0.825,532 0.96,533 8.5,534 0.264,535 4.222,536 2.188,537 2.36,538 1.403,539 0.668,540 0.672,541 0.455,542 0.202,543 17092,544 64022,545 1.96,546 39.3,548 10,550 1,551 7,552 2,553 2,555 1.756,556 1.789,557 3.8,558 4.052,560 1,564 97.977,565 1.75,566 4.148,567 5.028,568 5.45,569 5.486,570 5.486,571 3.238,572 4.735,573 5.058,574 4.009,575 2248.92,576 8.85,577 36134.2,582 325.212,583 1.549,584 4.989,585 0.236,586 0.01,587 0.084,588 0.041,589 0.047,590 0.029,591 0.015,592 0.017,593 0.013,594 0.006,595 0.499,596 0.17,597 0.75,598 1.698,599 185.687,600 -0.175,601 -0.034,602 -0.032,603 0.089,604 -0.133,605 0.082,606 0.231,607 0.092,608 0.053,609 0.007,610 0.178,611 -0.026,612 -0.115,613 -0.11,614 -0.126,615 -0.066,616 -0.107,617 -0.093,618 -0.189,619 -0.098,620 -0.155,621 -0.093,622 -0.159,623 -0.111,624 0.015,625 0.122,626 0.001,627 0.05,628 -0.011,629 0.028,630 0.114,631 -0.111,632 0.026,633 -0.082,634 0.13,635 -0.054,636 0.069,637 0.168,638 -0.066,639 0.05,640 0.04,641 -0.032,642 -0.036,643 -0.16,644 0.162,645 -0.007,646 -0.01,647 0.108,648 2.989,649 5.375,650 0.471,651 41.481,652 1.029,653 1.135,654 1.868,655 3.489,656 0.658,657 3.611,658 3.932,659 4.143,660 4.357,661 4.595,662 4.654,663 4.71,664 4.82,665 4.905,666 4.844,667 8.548,668 0.654,669 466.5,670 3.611,671 5.153,672 5.984,673 6.853,674 7.706,675 8.578,676 9.439,677 10.312,678 11.178,679 12.053,680 10.7,684 2,687 2,690 2,694 2,695 7,696 2,700 5,702 17,707 1,711 2,718 56,719 21,720 2,721 36,723 58,724 22,725 14,726 5,727 7,728 1,729 3,730 4,739 3,741 18,742 4,744 4,748 4,749 1,751 3,754 1,757 22,758 12,759 7,760 12,764 6,769 0.667,770 6,776 1,781 3,785 1,791 1,792 2,800 2,802 2,810 34,811 2,815 2,816 3,817 1,820 1,821 1,829 10.7,831 2,832 4,836 19,837 9.583,838 7.556,839 2.947,840 3.451,841 1.449,842 0.931,843 7.995,844 11.142,845 3.902,846 4.477,847 4.996,848 5.55,849 6.137,850 6.427,851 6.778,852 7.131,853 7.518,854 7.549,855 0.9,856 53,857 12.603,859 5.499,860 8.353,861 22.541,863 17.995,865 2.853,866 97,870 176.567,871 109.1,872 120.5,874 185.946,877 109.1,878 362.513,879 120.5,881 28.31,882 132.128,883 248.808,884 13.845,885 4.227,886 164.795,888 176.567,889 229.601,890 185.946,893 153.024,894 209.489,897 32.353,898 163.677,899 33.571,901 176.567,902 306.447,903 109.1,906 176.567,907 31.771,908 80.453,909 18.011,910 285.312,911 176.567,912 306.447,913 109.1,915 0.583,916 0.329,917 0.168,918 0.097,919 21,920 12,921 0.155,922 9,923 1,924 1.125,925 4.389,926 299.526,927 0.125,928 16,929 168.974,933 24.893,934 10.919,935 6.414,936 1.083,937 306.447,938 11.246,939 8.024,943 1.675,945 169.172,946 592.114,947 48.5,951 46.062,952 0.649,954 -3.131,956 57.643,957 63.568,958 0.301,959 0.714,960 0.866,961 0.939,962 0.945,963 0.945,964 5.137,965 1.991,966 5.984,967 5.793,968 4.615,969 5.165,970 3.192,971 6.774,972 4.562,973 6.352,974 1.498,975 7.541,976 5.12,977 4.29,978 5.056,979 2.903,980 7.647,981 4.202,982 7.657,983 1.363,984 9.191,985 3.993,986 6.201,987 7.346,988 4.426,989 10.691,990 6.092,991 8.993,992 1.111,993 10.895,994 3.574,995 6.621,996 8.009,997 4.837,998 12.338,999 6.481,1000 10.357,1001 1.004,1002 12.631,1003 2.598,1004 8.045,1005 9.837,1006 5.96,1007 14.911,1008 7.884,1009 11.74,1010 1,1011 14.39,1012 2.565,1013 8.809,1014 10.885,1015 6.634,1016 16.899,1017 8.618,1018 13.139,1019 0.41,1020 16.166,1021 2.275,1022 10.036,1023 12.522,1024 7.607,1025 19.297,1026 9.823,1027 3.106,1028 0.312,1029 17.954,1030 0.841,1031 10.969,1032 13.783,1033 8.386,1034 21.444,1035 10.725,1036 2.899,1037 10.267,1038 19.753,1039 0.551,1040 12.114,1041 15.335,1042 9.296,1043 23.776,1044 11.847,1045 2.775,1046 8.974,1047 21.559,1048 4.495,1049 13.131,1050 16.71,1051 10.118,1052 26.001,1053 12.833,1054 2.618,1055 8.851,1056 23.372,1057 3.775,1058 14.244,1059 18.226,1060 11,1061 28.309,1062 13.921,1063 2.294,1064 7.898,1065 25.191,1066 3.374,1067 15.303,1068 19.661,1069 11.843,1070 30.574,1071 14.95,1072 2.17,1073 6.756,1074 27.015,1075 3.127,1076 16.407,1077 21.163,1078 12.712,1079 32.877,1080 16.026,1081 2.09,1082 5.91,1083 28.843,1084 2.958,1085 17.488,1086 22.629,1087 13.563,1088 35.163,1089 17.077,1090 16940,1091 32886,1092 22.887,1093 36.852,1094 54.431,1095 57.094,1096 55.771,1097 53.516,1098 53.355,1099 70.114,1100 15.337,1101 152.125,1102 51.993,1103 5.463,1104 5.777,1105 6.05,1106 5.144,1107 5.106,1108 7.495,1109 3.989,1110 17.161,1111 5.005,1112 22.888,1113 1.512,1114 1.586,1115 1.549,1116 1.487,1117 1.482,1118 1.948,1119 0.426,1120 4.226,1121 1.444,1122 4.079,1123 4.115,1124 4.048,1125 3.983,1126 7.478,1127 3.994,1128 3.946,1129 3.973,1130 3.894,1131 3.872,1132 7.471,1133 3.872,1134 3.763,1135 3.8,1136 3.677,1137 3.59,1138 7.452,1139 3.602,1140 3.583,1141 3.636,1142 3.531,1143 3.361,1144 7.428,1145 3.397,1146 3.456,1147 3.473,1148 3.396,1149 3.2,1150 6.352,1151 3.238,1152 3.325,1153 3.369,1154 3.254,1155 3.096,1156 6.35,1157 3.13,1158 3.194,1159 3.236,1160 3.141,1161 2.933,1162 5.307,1163 2.971,1164 3.129,1165 3.197,1166 3.02,1167 2.871,1168 4.982,1169 2.904,1170 0.126,1171 0.105,1172 0.181,1173 0.113,1174 0.086,1175 4.551,1176 0.125,1177 3.777,1178 0.066,1179 6.526,1180 0.285,1181 4.073,1182 0.083,1183 3.106,1184 4.495,1185 2.375,1186 10.267,1187 3.005,1188 2.015,1189 1.988,1190 2.082,1191 2.132,1192 1.231,1193 2.117,1194 1.924,1195 1.9,1196 2.021,1197 2.023,1198 1.211,1199 2.023,1200 1.705,1201 1.664,1202 1.899,1203 1.904,1204 1.134,1205 1.9,1206 1.478,1207 1.427,1208 1.607,1209 1.73,1210 0.739,1211 1.696,1212 1.322,1213 1.292,1214 1.484,1215 1.615,1216 0.571,1217 1.568,1218 1.227,1219 1.186,1220 1.422,1221 1.493,1222 0.403,1223 1.473,1224 1.057,1225 1.025,1226 1.294,1227 1.386,1228 0.226,1229 1.371,1230 1.022,1231 0.958,1232 1.197,1233 1.349,1234 0.218,1235 1.286,1236 4.29,1238 5.609,1240 7.111,1242 8.698,1244 10.334,1250 11.513,1251 17.914,1252 -0.447,1253 2.311,1256 -1.325,1257 1.427,1262 36.632,1263 97.977,1264 232.299,1265 281.56,1266 305.212,1267 307.212,1268 307.212,1269 107.056,1270 7.69,1271 201.83,1272 201.83,1273 18,1274 12.595,1275 4.459,1276 3.755,1277 67.725,1278 177,1279 162,1280 0.186,1281 229.236,1282 406.44,1283 551.096,1284 24470,1286 24.828,1287 0.73,1288 0.525,1289 24.828,1290 17.841,1291 16.172,1292 0.449,1293 0.28,1294 9.885,1295 15.372,1296 9.737,1297 8.04,1298 16.172,1299 10.067,1300 14.924,1301 0.298,1302 0.148,1303 14.924,1304 7.395,1305 11.554,1306 0.186,1307 0.081,1308 11.554,1309 5.004,1310 9.197,1311 0.119,1312 0.042,1313 9.197,1314 3.252,1315 7.475,1316 0.076,1317 0.022,1318 7.475,1319 2.176,1320 0.301,1321 103.003,1322 0.209,1323 31.985,1324 0.485,1325 172,1326 635.134,1327 195.472,1328 606.105,1329 787.64,1330 556,1331 198,1332 548.162,1333 218.071,1334 552.047,1335 796.02,1336 516,1337 8.328}
{0 CHEMBL6975,1 1.504,2 10.167,3 3.989,4 15.911,5 102.43,6 8.311,7 0.815,8 3.802,9 3.918,10 3.519,11 3.483,12 4.966,13 3.43,14 4.255,15 4.389,16 3.887,17 3.883,18 5.401,19 3.797,20 4.477,21 4.647,22 3.957,23 4.011,24 5.512,25 3.901,26 4.513,27 4.701,28 3.898,29 3.967,30 5.567,31 3.816,32 4.521,33 4.759,34 3.764,35 3.84,36 5.511,37 3.666,38 4.322,39 4.573,40 3.429,41 3.663,42 5.172,43 3.479,44 4.127,45 4.334,46 3.397,47 3.536,48 5.143,49 3.429,50 4.174,51 4.408,52 3.301,53 3.506,54 5.157,55 3.395,56 0.045,57 0.591,58 7.297,59 3.319,60 9.361,61 4.041,62 0.139,63 0.945,64 14.255,65 6.313,66 16.611,67 7.658,68 0.107,69 1.157,70 19.089,71 7.829,72 13.834,73 9.411,74 0.119,75 1.198,76 20.925,77 8.788,78 23.167,79 10.723,80 0.257,81 1.259,82 25.231,83 8.246,84 35.834,85 9.824,86 0.122,87 0.946,88 23.062,89 8.493,90 18.778,91 10.303,92 0.082,93 0.784,94 13.595,95 5.413,96 16.111,97 7.111,98 0.11,99 0.823,100 15.505,101 5.818,102 18,103 7.485,104 5,105 38,106 0.261,107 0.555,108 0.687,109 0.84,110 0.873,111 0.89,112 3.229,113 0.957,114 -5.85,115 -5.7,116 -5.31,119 47.5,125 1,139 10,140 4,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 13,169 1,170 3,172 3,173 3,175 1,178 19,180 1,182 3,187 1,189 16,191 1,193 3,195 1,196 1,197 1,198 4,200 2,201 9,204 4,205 1,207 3,212 4,215 10,218 4,226 1,229 9,231 1,234 4,239 3,241 10,243 3,246 4,251 2,254 9,256 2,260 4,265 4,268 6,270 4,273 738,274 16.447,275 16.447,276 16.447,277 16.447,278 16.447,279 13.824,280 11.604,281 9.705,282 16.81,283 13.359,284 13.359,285 13.359,286 13.359,287 13.359,288 9.448,289 13.928,290 4.622,291 13.96,292 3.818,293 2.13,294 1.368,295 0.488,296 0.3,297 0.2,298 3.932,300 1,301 1,302 1,303 542,304 2.449,307 225.434,311 192.001,314 1.347,315 14.102,317 1,318 0.75,319 0.83,320 1,321 0.6,323 1,324 1,325 0.74,326 50,327 244,328 4.615,329 4.438,330 6.767,331 4.139,332 3.166,333 4.573,334 3.272,335 11.061,336 3.085,337 4.406,338 3.272,339 6.183,340 3.911,341 2.922,342 4.336,344 9.226,345 2.893,346 3.744,347 2.929,348 5.371,349 3.314,350 2.394,351 3.19,353 6.908,354 2.2,355 3.621,356 2.706,357 5.227,358 3.161,359 2.237,360 3.042,362 6.549,363 2.048,364 3.449,365 2.294,366 5.06,367 2.961,368 2.01,369 2.861,371 5.821,372 1.909,373 3.143,374 2.078,375 4.775,376 2.739,377 1.788,378 2.427,380 5.049,381 1.691,382 3.118,383 1.746,384 4.414,385 2.618,386 1.618,387 2.371,389 4.365,390 1.618,391 2.899,392 1.618,393 3.681,394 2.404,395 1.414,396 2.09,398 3.021,399 1.396,400 2.669,401 1.45,402 3.622,403 2.201,404 1.225,405 1.74,407 2.772,408 1.192,409 2.211,410 1.224,411 3.316,412 1.733,413 0.789,414 1.086,415 1.845,416 0.732,417 1.853,418 0.865,419 3.136,420 1.477,421 0.571,422 0.723,423 1.372,424 0.508,425 1.285,426 0.451,427 2.729,428 0.831,429 -0.104,430 -0.137,431 -0.272,432 -0.096,433 1.16,434 0.043,435 2.654,436 0.729,437 -0.221,438 -0.294,439 -0.579,440 -0.207,441 0.938,442 -0.135,443 2.398,444 0.463,445 -0.466,446 -0.598,448 -1.164,449 -0.428,450 0.882,451 -0.329,452 2.273,453 0.382,454 -0.618,455 -0.84,457 -1.517,458 -0.608,459 11.933,460 0.497,461 0.554,462 0.023,463 36.5,464 1.521,465 21.5,466 0.896,467 15,468 0.625,469 15.804,470 0.658,471 23.467,472 0.587,473 23.907,474 0.996,475 6.972,476 0.291,477 4.731,478 0.197,479 0.067,481 0.335,485 1.115,486 0.879,487 0.742,488 0.7,489 1.308,490 0.717,491 0.428,492 0.846,493 0.985,494 1.004,495 0.427,496 0.913,497 1.057,498 1.023,499 1.086,500 1.028,501 0.878,502 0.988,503 0.702,504 1.2,505 1.166,506 1.258,507 0.664,508 1.208,509 1.523,510 0.969,511 1.324,512 1.111,513 1.558,514 1.067,515 0.719,516 0.898,517 1.286,518 1.159,519 0.711,520 0.958,521 0.799,522 1.07,523 0.865,524 1.016,525 0.87,526 1.02,527 1.071,528 0.954,529 0.935,530 0.923,531 0.98,532 0.931,533 4.5,534 0.074,535 2.444,536 1.75,537 1.493,538 0.5,539 0.365,540 0.229,541 0.23,542 0.174,543 6847,544 17661,545 2.161,546 40,548 12,551 4,555 1.666,556 2.057,557 3.296,558 1.736,560 1,564 60.167,565 1.504,566 3.192,567 3.954,568 4.834,569 5.022,570 5.122,571 2.674,572 4.085,573 4.562,574 3.433,575 947.404,576 7.855,577 11099.1,579 1,581 1,582 212.877,583 1.281,584 4.532,585 0.167,586 0.005,587 0.064,588 0.045,589 0.045,590 0.02,591 0.017,592 0.01,593 0.01,594 0.009,595 0.392,596 0.17,597 0.88,598 0.49,599 114.061,600 -0.182,601 0.16,602 0.037,603 0.157,604 -0.31,605 0.114,606 0.386,607 0.162,608 -0.013,609 -0.014,610 0.274,611 -0.01,612 -0.146,613 -0.019,614 -0.078,615 -0.027,616 -0.114,617 -0.057,618 0.158,619 -0.227,620 -0.072,621 -0.2,622 0.197,623 -0.234,624 -0.254,625 0.089,626 -0.081,627 -0.007,628 -0.323,629 -0.077,630 0.039,631 0.024,632 -0.002,633 0.035,634 0.076,635 0.142,636 0.026,637 -0.14,638 -0.014,639 -0.102,640 0.032,641 -0.051,642 -0.093,643 -0.002,644 -0.049,645 -0.002,646 -0.054,647 0.053,648 1.459,649 2.061,650 0.833,651 17.313,652 0.995,653 1.11,654 4.616,655 21.305,656 0.731,657 3.332,658 3.664,659 3.951,660 4.248,661 4.477,662 4.489,663 4.533,664 4.644,665 4.779,666 4.745,667 5.928,668 0.686,669 332.46,670 3.332,671 4.875,672 5.733,673 6.619,674 7.489,675 8.378,676 9.253,677 10.142,678 11.018,679 11.908,680 10,684 2,690 2,694 4,695 10,696 2,700 4,702 22,711 2,718 40,719 22,720 3,721 27,723 43,724 19,725 18,726 6,727 10,729 4,730 6,741 18,742 1,754 1,757 16,758 4,759 4,760 5,761 1,764 4,769 0.5,776 1,781 4,785 2,802 2,803 1,804 1,810 24,811 2,816 1,819 1,836 11.667,837 7.067,838 5.194,839 2.2,840 4.558,841 1.607,842 1.065,843 3.907,844 12.064,845 3.664,846 4.357,847 5.024,848 5.679,849 6.279,850 6.549,851 6.885,852 7.281,853 7.686,854 7.683,855 0.857,856 39,857 8.805,859 3.759,860 7.611,861 16.978,863 14.153,865 2.111,866 50.667,869 1,870 141.253,871 146.708,872 99.365,876 32.22,877 114.489,878 141.253,879 99.365,881 0.9,882 160.557,883 33.571,884 14.599,885 4.227,886 173.473,888 141.253,889 213.854,891 32.22,893 141.253,897 4.943,898 175.34,899 33.571,900 32.22,901 141.253,902 99.365,903 146.708,906 141.253,907 51.946,908 94.762,910 99.365,911 141.253,912 99.365,913 146.708,915 0.583,916 0.344,917 0.198,918 0.107,919 20,920 8,921 0.07,922 3,923 2,924 1.2,925 3.684,926 199.934,927 0.2,928 20,929 110.039,930 1,933 15.095,934 6.212,935 3.006,936 4.174,937 99.365,938 20.828,939 8.364,943 2.982,945 65.794,946 387.327,947 38,956 39.785,957 44.404,958 0.283,959 0.6,960 0.743,961 0.908,962 0.944,963 0.962,964 4.879,965 1.414,966 5.714,967 4.365,968 4.344,969 5.043,970 3.11,971 6.526,972 4.264,973 6.114,974 1.225,975 7.268,976 3.021,977 3.892,978 4.913,980 7.416,981 3.78,982 7.437,983 0.789,984 8.921,985 2.772,986 5.932,987 7.38,988 5.44,989 10.537,990 5.793,991 8.798,992 0.571,993 10.636,994 1.845,995 6.293,996 8.087,998 12.29,999 6.136,1000 10.191,1001 -0.104,1002 12.391,1003 1.372,1004 7.803,1005 10.013,1006 7.807,1007 14.927,1008 7.625,1009 11.608,1010 -0.221,1011 14.175,1012 -0.272,1013 8.566,1014 11.137,1016 17.051,1017 8.377,1018 13.044,1019 -0.466,1020 15.981,1021 -0.579,1022 9.85,1023 12.826,1024 10.177,1025 19.522,1026 9.643,1027 3.166,1028 -0.618,1029 17.805,1030 -1.164,1031 10.811,1032 14.154,1034 21.802,1035 10.591,1036 2.922,1037 11.061,1038 19.642,1039 -1.517,1040 12,1041 15.738,1042 12.548,1043 24.217,1044 11.762,1045 2.394,1046 9.226,1047 21.491,1048 4.573,1049 13.054,1050 17.162,1052 26.563,1053 12.8,1054 2.237,1055 6.908,1056 23.35,1057 4.336,1058 14.207,1059 18.7,1060 14.919,1061 28.961,1062 13.933,1063 2.01,1064 6.549,1065 25.216,1066 3.19,1067 15.304,1068 20.167,1070 31.334,1071 15.011,1072 1.788,1073 5.821,1074 27.088,1075 3.042,1076 16.444,1077 21.686,1078 17.29,1079 33.729,1080 16.13,1081 1.618,1082 5.049,1083 28.966,1084 2.861,1085 17.562,1086 23.174,1088 36.115,1089 17.226,1090 6380,1091 10368,1092 18.493,1093 29.239,1094 40.494,1095 43.585,1096 41.176,1097 40.296,1098 40.268,1099 56.878,1100 6.545,1101 115.977,1102 38.543,1103 5.444,1104 6.438,1105 6.454,1106 5.249,1107 5.166,1108 7.573,1109 6.545,1110 17.969,1111 5.085,1112 8.716,1113 1.5,1114 1.614,1115 1.525,1116 1.492,1117 1.491,1118 2.107,1119 0.242,1120 4.295,1121 1.428,1122 4.099,1123 4.124,1124 4.136,1125 4.064,1126 5.306,1127 4.05,1128 4.04,1129 4.067,1130 4.008,1131 3.971,1132 4.981,1133 3.977,1134 3.517,1135 3.569,1136 3.713,1137 3.481,1138 4.895,1139 3.428,1140 3.444,1141 3.492,1142 3.382,1143 3.275,1144 4.691,1145 3.297,1146 3.205,1147 3.275,1148 3.177,1149 3.118,1150 4.315,1151 3.08,1152 3.061,1153 3.149,1154 3,1155 2.952,1156 4.169,1157 2.94,1158 3.003,1159 3.076,1160 2.893,1161 2.773,1162 3.886,1163 2.766,1164 2.758,1165 2.854,1166 2.677,1167 2.6,1168 3.827,1169 2.589,1170 0.171,1171 0.164,1172 0.251,1173 0.153,1174 0.117,1175 4.615,1176 0.169,1177 4.438,1178 0.121,1179 6.767,1180 0.41,1181 4.139,1182 0.114,1183 3.166,1184 4.573,1185 3.272,1186 11.061,1187 3.085,1188 2.07,1189 2.054,1190 2.144,1191 2.128,1192 1.295,1193 2.134,1194 2.016,1195 1.991,1196 2.077,1197 2.106,1198 1.234,1199 2.105,1200 1.5,1201 1.472,1202 1.626,1203 1.647,1204 0.772,1205 1.646,1206 1.395,1207 1.333,1208 1.542,1209 1.563,1210 0.613,1211 1.588,1212 1.197,1213 1.149,1214 1.403,1215 1.399,1216 0.425,1217 1.403,1218 1.06,1219 1.012,1220 1.281,1221 1.282,1222 0.357,1223 1.315,1224 0.939,1225 0.836,1226 1.248,1227 1.185,1228 0.064,1229 1.219,1230 0.723,1231 0.658,1232 1.014,1233 1.008,1234 0.018,1235 1.019,1236 4.007,1238 5.333,1240 6.868,1242 8.504,1244 10.191,1250 11.746,1252 0.799,1255 1.774,1262 27.434,1263 60.167,1264 127.684,1265 158.148,1266 193.367,1267 200.877,1268 204.877,1269 27.557,1270 7.506,1271 77.82,1272 103.12,1273 24,1274 12.44,1275 4.524,1276 3.585,1277 33.979,1278 87,1279 76,1280 0.193,1281 172.485,1282 280.33,1283 412.625,1284 19743,1286 16.518,1287 0.688,1288 0.573,1289 16.872,1290 13.754,1291 11.704,1292 0.433,1293 0.319,1294 7.665,1295 11.021,1296 7.385,1297 6.124,1298 12.158,1299 8.613,1300 10.643,1301 0.28,1302 0.174,1303 11.221,1304 6.625,1305 8.969,1306 0.176,1307 0.098,1308 9.627,1309 5.013,1310 8.04,1311 0.117,1312 0.055,1313 8.731,1314 3.779,1315 6.481,1316 0.074,1317 0.032,1318 7.309,1319 2.808,1320 0.303,1321 76.156,1322 0.233,1323 23.409,1324 0.528,1325 130,1326 318.775,1327 158.666,1328 346.687,1329 488.68,1330 326,1331 154,1332 359.381,1333 178.035,1334 383.594,1335 561.68,1336 362,1337 8}
{0 CHEMBL6979,1 1.659,2 9.958,3 2.87,4 8.237,5 98.967,6 8.801,7 0.815,8 3.769,9 3.871,10 3.587,11 3.452,12 4.974,13 3.408,14 4.21,15 4.328,16 3.941,17 3.85,18 5.443,19 3.783,20 4.463,21 4.612,22 4.018,23 3.986,24 5.664,25 3.898,26 4.5,27 4.669,28 3.899,29 3.9,30 5.744,31 3.793,32 4.422,33 4.62,34 3.8,35 3.763,36 5.579,37 3.646,38 4.299,39 4.512,40 3.575,41 3.608,42 5.56,43 3.484,44 4.102,45 4.297,46 3.408,47 3.441,48 5.272,49 3.366,50 3.971,51 4.158,52 3.238,53 3.339,54 5.208,55 3.261,56 0.073,57 0.577,58 7.036,59 3.273,60 13.936,61 3.425,62 0.123,63 0.897,64 10.394,65 5.54,66 17.407,67 6.439,68 0.138,69 1.141,70 19.294,71 7.9,72 23.318,73 8.35,74 0.234,75 1.139,76 19.246,77 8.114,78 45.751,79 8.792,80 0.233,81 1.074,82 19.88,83 7.291,84 42.106,85 8.226,86 0.31,87 0.909,88 20.687,89 7.448,90 53.54,91 8.522,92 0.161,93 0.722,94 13.763,95 5.387,96 32.972,97 6.353,98 0.165,99 0.687,100 11.074,101 4.218,102 30.92,103 4.84,104 10,105 39,106 0.29,107 0.525,108 0.659,109 0.821,110 0.87,111 0.889,112 3.229,113 0.944,114 -5.02,115 -4.92,116 -4.61,119 47.4,139 10,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 11,169 1,170 3,172 3,173 3,175 1,178 14,180 1,182 7,187 1,189 12,191 1,193 5,195 1,196 1,197 1,198 3,200 2,201 8,204 3,205 1,207 3,212 3,215 9,218 3,220 2,221 2,223 1,224 1,229 8,234 5,239 2,241 8,243 2,246 4,248 1,249 1,251 2,254 6,256 2,260 4,265 4,268 2,270 4,273 738,274 16.24,275 16.24,276 16.24,277 16.24,278 16.24,279 13.608,280 10.23,281 9.39,282 16.721,283 13.321,284 13.321,285 13.321,286 13.321,287 13.321,288 9.315,289 10.352,290 4.466,291 14.079,292 3.588,293 2.242,294 1.473,295 0.546,296 0.263,297 0.158,298 3.928,300 1,301 1,302 1,303 530,304 2.646,307 228.562,311 194.181,314 1.465,315 23.126,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 51,327 239,328 4.57,329 4.902,330 6.554,331 4.075,332 3.13,333 4.506,334 2.95,335 10.337,336 2.98,337 4.437,338 3.213,339 6.37,340 3.941,341 2.976,342 4.352,344 9.69,345 2.9,346 4.125,347 2.998,348 6.106,349 3.631,350 2.718,351 3.649,353 8.86,354 2.403,355 3.595,356 2.749,357 5.202,358 3.112,359 2.181,360 3.036,362 6.311,363 2.022,364 3.425,365 2.217,366 5.062,367 2.952,368 2.01,369 2.811,371 5.798,372 1.889,373 3.317,374 2.062,375 4.977,376 2.83,377 1.882,378 2.655,380 5.681,381 1.771,382 3.118,383 1.618,384 4.423,385 2.618,386 1.618,387 2.427,389 4.371,390 1.618,391 2.91,392 1.477,393 3.782,394 2.406,395 1.414,396 2.104,398 3.055,399 1.4,400 2.536,401 1.115,402 3.7,403 1.988,404 1.014,405 1.474,407 2.565,408 0.985,409 2.432,410 1.052,411 3.579,412 1.874,413 0.906,414 1.352,415 2.284,416 0.868,417 2.136,418 0.757,419 3.152,420 1.602,421 0.611,422 0.923,423 1.456,424 0.603,425 1.386,426 0.442,427 2.758,428 0.901,429 -0.034,430 -0.047,431 -0.086,432 -0.032,433 1.031,434 -0.103,435 2.589,436 0.507,437 -0.444,438 -0.576,439 -1.126,440 -0.408,441 0.97,442 -0.302,443 2.467,444 0.475,445 -0.482,446 -0.706,448 -1.166,449 -0.466,450 0.882,451 -0.479,452 2.26,453 0.382,454 -0.618,455 -0.927,457 -1.6,458 -0.618,459 11.767,460 0.49,461 0.644,462 0.027,463 37.75,464 1.573,465 22.5,466 0.938,467 15.25,468 0.635,469 14.241,470 0.593,471 23.633,472 0.622,473 26.59,474 1.108,475 7.382,476 0.308,477 4.232,478 0.176,479 0.096,481 0.411,485 0.781,486 0.908,487 0.772,488 0.814,489 0.903,490 0.701,491 0.459,492 0.801,493 0.747,494 0.861,495 0.518,496 0.85,497 1.015,498 1.08,499 1.271,500 1.188,501 0.811,502 1.01,503 1.283,504 1.04,505 1.185,506 1.149,507 1.398,508 1.145,509 1.234,510 1.047,511 1.124,512 1.134,513 1.397,514 1.08,515 0.883,516 0.859,517 1.226,518 1.109,519 1.005,520 0.962,521 1.266,522 0.996,523 0.842,524 0.928,525 1.46,526 0.913,527 1.03,528 1.116,529 1.148,530 1.082,531 0.855,532 1.127,533 5,534 0.066,535 3.111,536 1.75,537 1.693,538 0.785,539 0.527,540 0.26,541 0.209,542 0.169,543 6567,544 18592,545 2.135,546 36.8,548 10,551 4,555 1.668,556 2,557 3.295,558 1.777,559 1,560 1,564 63.06,565 1.659,566 3.006,567 3.775,568 4.702,569 4.985,570 5.09,571 2.736,572 4.168,573 4.559,574 3.399,575 938.198,576 7.859,577 10727.7,578 1,579 1,581 1,582 199.421,583 1.406,584 4.518,585 0.185,586 0.006,587 0.08,588 0.043,589 0.05,590 0.028,591 0.021,592 0.011,593 0.01,594 0.011,595 0.444,596 0.17,597 1,598 0.566,599 113.188,600 -0.067,601 0.151,602 0.101,603 0.124,604 -0.246,605 0.124,606 0.233,607 0.198,608 0.101,609 0.074,610 0.097,611 0.02,612 -0.128,613 -0.062,614 -0.153,615 -0.106,616 0.016,617 -0.077,618 -0.1,619 -0.079,620 -0.144,621 -0.124,622 -0.082,623 -0.192,624 -0.109,625 -0.072,627 -0.072,628 -0.185,629 -0.082,630 0.276,631 0.085,632 -0.001,633 0.026,634 0.264,635 0.098,636 -0.079,637 -0.117,638 0.064,639 0.022,640 -0.1,641 0.091,642 -0.074,643 -0.103,644 -0.29,645 -0.197,646 0.014,647 -0.213,648 2.537,649 5.917,650 0.833,651 18.542,652 1.006,653 1.11,654 3.791,655 14.373,656 0.735,657 3.332,658 3.689,659 3.989,660 4.263,661 4.533,662 4.595,663 4.71,664 4.812,665 4.92,666 4.905,667 5.725,668 0.701,669 334.43,670 3.332,671 4.89,672 5.759,673 6.65,674 7.532,675 8.426,676 9.312,677 10.206,678 11.094,679 11.988,680 10.5,684 2,690 2,694 4,695 10,696 2,700 4,702 22,711 2,718 38,719 23,720 3,721 27,723 41,724 18,725 18,726 6,727 10,729 4,730 6,741 18,744 1,748 1,752 1,753 1,754 1,757 14,758 5,759 4,760 6,761 1,764 4,769 0.5,770 1,776 1,781 4,785 2,802 2,804 1,810 24,811 2,812 1,829 2.6,832 1,836 12,837 6.733,838 5.139,839 2.054,840 4.505,841 1.6,842 1.077,843 3.583,844 12.011,845 3.689,846 4.394,847 5.08,848 5.723,849 6.369,850 6.726,851 7.16,852 7.58,853 8.011,854 8.187,855 0.857,856 41,857 8.867,859 3.912,860 7.815,861 16.705,863 14.084,865 2.315,866 55.556,870 117.711,871 131.087,872 99.365,874 22.156,876 19.133,877 111.954,878 139.867,879 99.365,882 179.69,883 55.728,884 12.964,885 4.227,886 117.711,888 117.711,889 211.319,890 22.156,891 19.133,893 117.711,894 22.156,897 4.043,898 173.705,899 33.571,900 19.133,901 117.711,902 121.522,903 131.087,906 136.844,907 17.192,908 94.762,910 121.522,911 117.711,912 121.522,913 131.087,915 0.593,916 0.353,917 0.192,918 0.107,919 21,920 9,921 0.049,922 2,923 2,924 1.2,925 3.611,926 204.153,927 0.2,928 20,929 110.039,931 1,933 14.912,934 5.767,935 2.71,936 3.458,937 121.522,938 19.078,939 8.1,943 1.805,945 65.794,946 370.32,947 39,951 12.917,955 -1.315,956 38.229,957 42.199,958 0.316,959 0.573,960 0.719,961 0.896,962 0.95,963 0.97,964 4.916,965 1.414,966 5.759,967 4.371,968 4.369,969 5.081,970 2.913,971 6.592,972 4.267,973 6.168,974 1.014,975 7.334,976 3.055,977 4.007,978 4.997,980 7.503,981 3.806,982 7.501,983 0.906,984 9.006,985 2.565,986 5.989,987 7.427,988 5.027,989 10.61,990 5.782,991 8.872,992 0.611,993 10.733,994 2.284,995 6.415,996 8.149,998 12.312,999 6.114,1000 10.271,1001 -0.034,1002 12.495,1003 1.456,1004 7.886,1005 10.051,1006 7.185,1007 14.931,1008 7.583,1009 11.691,1010 -0.444,1011 14.281,1012 -0.086,1013 8.679,1014 11.165,1016 16.966,1017 8.3,1018 13.129,1019 -0.482,1020 16.083,1021 -1.126,1022 9.94,1023 12.838,1024 9.348,1025 19.402,1026 9.55,1027 3.13,1028 -0.618,1029 17.898,1030 -1.166,1031 10.907,1032 14.147,1034 21.584,1035 10.457,1036 2.976,1037 10.337,1038 19.722,1039 -1.6,1040 12.08,1041 15.717,1042 11.511,1043 23.945,1044 11.609,1045 2.718,1046 9.69,1047 21.554,1048 4.506,1049 13.128,1050 17.121,1052 26.195,1053 12.607,1054 2.181,1055 8.86,1056 23.391,1057 4.352,1058 14.266,1059 18.645,1060 13.675,1061 28.525,1062 13.716,1063 2.01,1064 6.311,1065 25.234,1066 3.649,1067 15.351,1068 20.094,1070 30.807,1071 14.757,1072 1.882,1073 5.798,1074 27.079,1075 3.036,1076 16.476,1077 21.599,1078 15.838,1079 33.126,1080 15.849,1081 1.618,1082 5.681,1083 28.928,1084 2.811,1085 17.58,1086 23.07,1088 35.424,1089 16.911,1090 6152,1091 10497,1092 18.205,1093 27.932,1094 41.422,1095 43.255,1096 42.257,1097 41.036,1098 40.916,1099 58.577,1100 5.9,1101 120.817,1102 38.879,1103 5.326,1104 6.902,1105 6.241,1106 5.198,1107 5.13,1108 7.506,1109 5.9,1110 17.253,1111 4.98,1112 10.458,1113 1.534,1114 1.602,1115 1.565,1116 1.52,1117 1.515,1118 2.17,1119 0.219,1120 4.475,1121 1.44,1122 4.124,1123 4.14,1124 4.398,1125 4.108,1126 7.397,1127 4.078,1128 4.025,1129 4.054,1130 3.989,1131 3.958,1132 5.306,1133 3.959,1134 3.611,1135 3.623,1136 3.884,1137 3.582,1138 4.982,1139 3.518,1140 3.399,1141 3.455,1142 3.317,1143 3.262,1144 4.887,1145 3.268,1146 3.135,1147 3.237,1148 3.174,1149 3.023,1150 4.667,1151 2.993,1152 3.097,1153 3.13,1154 3.019,1155 2.92,1156 4.284,1157 2.92,1158 2.976,1159 3.011,1160 2.9,1161 2.845,1162 4.115,1163 2.829,1164 2.699,1165 2.8,1166 2.547,1167 2.514,1168 3.848,1169 2.509,1170 0.169,1171 0.182,1172 0.243,1173 0.151,1174 0.116,1175 4.57,1176 0.167,1177 4.902,1178 0.109,1179 6.554,1180 0.383,1181 4.075,1182 0.11,1183 3.13,1184 4.506,1185 2.95,1186 10.337,1187 2.98,1188 2.085,1189 2.074,1190 2.147,1191 2.135,1192 1.308,1193 2.148,1194 1.999,1195 1.976,1196 2.049,1197 2.095,1198 1.185,1199 2.089,1200 1.545,1201 1.534,1202 1.628,1203 1.654,1204 0.759,1205 1.675,1206 1.36,1207 1.308,1208 1.497,1209 1.542,1210 0.464,1211 1.551,1212 1.088,1213 1.05,1214 1.295,1215 1.386,1216 0.359,1217 1.371,1218 1.049,1219 0.98,1220 1.283,1221 1.209,1222 0.258,1223 1.247,1224 0.908,1225 0.873,1226 1.077,1227 1.082,1228 0.056,1229 1.119,1230 0.674,1231 0.593,1232 0.954,1233 0.964,1235 0.992,1236 4.007,1238 5.352,1240 6.905,1242 8.551,1244 10.243,1250 11.513,1262 26.622,1263 63.06,1264 114.228,1265 143.447,1266 178.666,1267 189.421,1268 193.421,1269 36.241,1270 7.506,1271 94.89,1272 114.1,1273 24,1274 12.515,1275 4.585,1276 3.7,1277 33.926,1278 83,1279 76,1280 0.203,1281 166.889,1282 271.82,1283 398.97,1284 18531,1286 16.681,1287 0.695,1288 0.561,1289 16.97,1290 13.456,1291 11.614,1292 0.43,1293 0.315,1294 7.388,1295 10.687,1296 7.128,1297 5.906,1298 12.236,1299 8.5,1300 10.788,1301 0.277,1302 0.177,1303 11.689,1304 6.904,1305 9.366,1306 0.177,1307 0.099,1308 10.413,1309 5.227,1310 7.964,1311 0.114,1312 0.054,1313 8.896,1314 3.798,1315 6.588,1316 0.072,1317 0.031,1318 7.584,1319 2.848,1320 0.315,1321 77.876,1322 0.234,1323 23.242,1324 0.567,1325 132,1326 362.511,1327 172.24,1328 385.974,1329 537.92,1330 358,1331 158,1332 389.072,1333 196.047,1334 425.638,1335 619.44,1336 401,1337 8.15}
{0 CHEMBL7049,1 1.511,2 11.593,3 3.169,4 10.044,5 107.756,6 7.771,7 0.733,8 3.937,9 4.064,10 3.536,11 3.526,12 5.128,13 3.51,14 4.405,15 4.561,16 3.915,17 3.919,18 5.592,19 3.88,20 4.651,21 4.827,22 3.982,23 4.063,24 5.778,25 4.011,26 4.737,27 4.943,28 3.925,29 4.036,30 5.879,31 3.955,32 4.769,33 5.011,34 3.736,35 3.91,36 5.911,37 3.815,38 4.621,39 4.882,40 3.531,41 3.73,42 5.672,43 3.624,44 4.408,45 4.645,46 3.544,47 3.62,48 5.637,49 3.539,50 4.329,51 4.553,52 3.405,53 3.586,54 5.437,55 3.504,56 0.048,57 0.706,58 8.569,59 3.681,60 11.932,61 4.729,62 0.176,63 1.097,64 14.76,65 6.656,66 23.793,67 8.817,68 0.171,69 1.352,70 20.079,71 7.843,72 31.733,73 10.262,74 0.142,75 1.43,76 22.958,77 9.124,78 32.961,79 12.451,80 0.379,81 1.414,82 26.254,83 8.615,84 62.531,85 11.67,86 0.275,87 1.137,88 24.051,89 8.213,90 54,91 11.251,92 0.309,93 0.95,94 18.387,95 6.693,96 55.226,97 9.307,98 0.219,99 0.897,100 16.533,101 5.753,102 39.889,103 7.612,104 17,105 43,106 0.255,107 0.598,108 0.741,109 0.853,110 0.87,111 0.885,112 3.34,113 0.861,114 -5.07,115 -4.97,116 -4.65,119 45.7,120 1,121 1,139 9,140 5,141 1,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 15,169 1,170 4,172 3,173 4,175 4,178 19,180 1,182 4,187 5,189 17,191 1,193 7,195 1,196 1,197 1,198 6,200 2,201 11,204 4,205 1,207 6,210 2,211 1,212 5,214 1,215 9,218 3,221 2,226 3,229 8,231 1,233 2,234 4,236 1,237 1,238 1,239 3,240 1,241 10,243 1,246 3,251 2,254 10,256 1,260 4,262 1,263 1,265 3,268 10,270 3,273 1046,274 18.102,275 18.102,276 18.102,277 18.102,278 18.102,279 15.271,280 17.334,281 10.531,282 18.306,283 14.816,284 14.816,285 14.816,286 14.816,287 14.816,288 10.58,289 23.356,290 5.022,291 15.15,292 4.012,293 1.979,294 1.131,295 0.468,296 0.364,297 0.277,298 4.037,300 1,301 1,302 1,303 689,304 3.082,307 282.471,311 239.773,314 1.682,315 24.017,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 57.5,327 313,328 4.656,329 3.637,330 6.836,331 4.193,332 3.215,333 4.617,334 1.987,335 11.239,336 3.145,337 4.409,338 3.271,339 6.185,340 3.931,341 2.931,342 4.337,343 0.324,344 9.238,345 2.931,346 3.963,347 2.936,348 5.842,349 3.594,350 2.624,351 3.439,353 8.065,354 2.553,355 3.746,356 2.639,357 5.403,358 3.371,359 2.388,360 3.135,362 7.066,363 2.333,364 3.465,365 2.389,366 5.102,367 3.031,368 2.077,369 2.862,371 5.989,372 1.984,373 3.434,374 2.154,375 5.022,376 2.953,377 1.998,378 2.77,380 5.813,381 1.907,382 3.256,383 2.036,384 4.732,385 2.811,386 1.817,387 2.482,389 5.074,390 1.784,391 3.118,392 1.618,393 4.408,394 2.618,395 1.618,396 2.427,398 4.348,399 1.618,400 2.885,401 1.568,402 4.176,403 2.397,404 1.399,405 2.067,407 3.43,408 1.397,409 2.696,410 1.427,411 3.615,412 2.29,413 1.316,414 1.764,415 2.995,416 1.277,417 2.187,418 0.856,419 3.207,420 1.703,421 0.703,422 1.035,423 1.628,424 0.702,425 1.675,426 0.732,427 3.113,428 1.339,429 0.373,430 0.46,431 0.942,432 0.359,433 1.296,434 0.505,435 2.825,436 0.928,437 -0.076,438 -0.098,439 -0.199,440 -0.075,441 1.2,442 0.119,443 2.763,444 0.843,445 -0.118,446 -0.146,448 -0.304,449 -0.114,450 1.01,451 -0.049,452 2.58,453 0.539,454 -0.404,455 -0.539,457 -1.08,458 -0.378,459 12.833,460 0.475,461 0.75,462 0.028,463 40.25,464 1.491,465 23,466 0.852,467 17.25,468 0.639,469 18.596,470 0.689,471 27.367,472 0.595,473 29.618,474 1.097,475 7.996,476 0.296,477 5.012,478 0.186,479 0.127,481 0.39,485 0.916,486 1.036,487 0.788,488 0.832,489 0.866,490 0.787,491 0.394,492 0.925,493 0.708,494 0.949,495 0.462,496 0.891,497 1.198,498 1.107,499 1.049,500 1.023,501 1.101,502 1.017,503 0.808,504 1.26,505 1.022,506 1.269,507 0.705,508 1.193,509 1.463,510 0.912,511 1.246,512 1.04,513 1.534,514 1.098,515 1.428,516 0.881,517 1.012,518 0.907,519 1.601,520 0.915,521 0.801,522 0.834,523 0.824,524 0.905,525 0.989,526 0.883,527 1.565,528 0.819,529 1.152,530 0.869,531 1.638,532 0.945,533 6,534 0.149,535 2.889,536 2.438,537 2.004,538 0.722,539 0.647,540 0.243,541 0.348,542 0.158,543 9518,544 24961,545 2.097,546 41.3,547 3,548 9,551 5,552 2,555 1.697,556 1.952,557 3.481,558 2.474,559 1,560 1,564 69.525,565 1.511,566 3.545,567 4.392,568 5.056,569 5.159,570 5.246,571 2.922,572 4.607,573 4.73,574 3.629,575 1273.87,576 8.187,577 16440.4,579 1,581 1,582 254.084,583 1.447,584 4.681,585 0.2,586 0.007,587 0.067,588 0.054,589 0.05,590 0.023,591 0.025,592 0.009,593 0.015,594 0.007,595 0.457,596 0.17,597 1,598 0.584,599 134.6,600 -0.148,601 0.098,602 0.007,603 0.125,604 -0.185,605 0.1,606 0.336,607 0.134,608 0.134,609 0.041,610 0.166,611 0.049,612 -0.202,613 -0.061,614 -0.154,615 -0.058,616 -0.168,617 -0.093,618 0.062,619 -0.271,620 -0.086,621 -0.289,622 0.119,623 -0.224,624 -0.151,625 0.08,626 -0.216,627 -0.101,628 -0.173,629 -0.153,630 -0.133,631 0.009,632 0.062,633 0.091,634 -0.129,635 0.101,636 0.368,637 0.09,638 0.204,639 0.092,640 0.323,641 0.12,642 -0.294,643 0.152,644 -0.15,645 0.104,646 -0.264,647 0.017,648 1.761,649 5.552,650 0.741,651 23.193,652 1,653 1.122,654 3.84,655 14.746,656 0.692,657 3.434,658 3.784,659 4.06,660 4.357,661 4.575,662 4.605,663 4.682,664 4.754,665 4.836,666 4.736,667 6.676,668 0.663,669 357.45,670 3.434,671 4.99,672 5.849,673 6.742,674 7.613,675 8.508,676 9.385,677 10.279,678 11.159,679 12.054,680 10.9,684 2,687 1,690 2,694 4,695 9,696 2,700 5,702 22,711 2,718 46,719 23,720 3,721 30,723 49,724 21,725 18,726 7,727 9,729 4,730 6,734 1,739 1,741 19,742 2,744 1,748 1,751 1,754 1,757 19,758 6,759 5,760 6,764 5,769 0.5,770 1,776 1,781 4,785 2,790 1,802 2,806 1,810 27,811 2,816 1,817 1,829 2.2,832 1,836 13.833,837 8.483,838 5.806,839 2.568,840 4.463,841 1.583,842 1.045,843 4.383,844 12.122,845 3.761,846 4.454,847 5.094,848 5.753,849 6.352,850 6.65,851 7.02,852 7.381,853 7.715,854 7.571,855 0.875,856 45,857 9.937,859 4.28,860 7.784,861 18.799,863 15.53,865 2.284,866 61.667,869 1,870 164.795,871 124.569,872 117.376,874 25.145,877 124.569,878 189.94,879 117.376,880 8.825,881 20.545,882 151.081,883 63.421,884 18.991,885 4.227,886 164.795,888 164.795,889 241.945,890 25.145,893 164.795,894 25.145,897 33.414,898 174.96,899 33.571,901 164.795,902 142.521,903 124.569,906 164.795,907 30.457,908 94.111,909 18.011,910 124.51,911 164.795,912 142.521,913 124.569,915 0.59,916 0.346,917 0.196,918 0.106,919 22,920 10,921 0.061,922 3,923 2,924 1.2,925 3.895,926 233.516,927 0.2,928 20,929 128.382,933 17.255,934 6.859,935 3.419,936 3.631,937 142.521,938 17.714,939 8.2,943 2.901,945 83.805,946 431.885,947 42,951 12.552,954 -0.095,956 46.022,957 51.607,958 0.274,959 0.642,960 0.795,961 0.915,962 0.934,963 0.95,964 4.994,965 1.618,966 5.849,967 5.074,968 4.466,969 5.142,970 2.076,971 6.676,972 4.425,973 6.241,974 1.399,975 7.418,976 4.348,977 4.111,978 5.085,979 1.593,980 7.582,981 4.052,982 7.572,983 1.316,984 9.083,985 3.43,986 6.075,987 7.47,988 3.1,989 10.702,990 5.998,991 8.939,992 0.703,993 10.805,994 2.995,995 6.494,996 8.21,997 3.168,998 12.436,999 6.402,1000 10.334,1001 0.373,1002 12.564,1003 1.628,1004 7.96,1005 10.095,1006 4.312,1007 15.088,1008 7.852,1009 11.751,1010 -0.076,1011 14.351,1012 0.942,1013 8.755,1014 11.234,1015 4.654,1016 17.195,1017 8.634,1018 13.186,1019 -0.118,1020 16.158,1021 -0.199,1022 10.019,1023 12.905,1024 5.601,1025 19.684,1026 9.882,1027 3.215,1028 -0.404,1029 17.982,1030 -0.304,1031 10.998,1032 14.242,1033 6.091,1034 21.958,1035 10.846,1036 2.931,1037 11.239,1038 19.82,1039 -1.08,1040 12.181,1041 15.82,1042 6.927,1043 24.39,1044 12.013,1045 2.624,1046 9.238,1047 21.669,1048 4.617,1049 13.247,1050 17.251,1051 7.5,1052 26.739,1053 13.062,1054 2.388,1055 8.065,1056 23.529,1057 4.337,1058 14.402,1059 18.789,1060 8.273,1061 29.153,1062 14.198,1063 2.077,1064 7.066,1065 25.396,1066 3.439,1067 15.51,1068 20.264,1069 8.894,1070 31.537,1071 15.287,1072 1.998,1073 5.989,1074 27.271,1075 3.135,1076 16.656,1077 21.787,1078 9.631,1079 33.948,1080 16.414,1081 1.817,1082 5.813,1083 29.152,1084 2.862,1085 17.786,1086 23.282,1087 10.279,1088 36.348,1089 17.523,1090 8923,1091 14582,1092 19.997,1093 31.813,1094 45.382,1095 46.307,1096 46.478,1097 44.94,1098 44.916,1099 62.787,1100 4.622,1101 131.655,1102 43.979,1103 5.526,1104 5.637,1105 6.524,1106 5.264,1107 5.215,1108 7.617,1109 3.497,1110 18.501,1111 5.145,1112 13.156,1113 1.513,1114 1.544,1115 1.549,1116 1.498,1117 1.497,1118 2.093,1119 0.154,1120 4.389,1121 1.466,1122 4.109,1123 4.137,1124 4.071,1125 4.057,1126 7.429,1127 4.054,1128 4.056,1129 4.082,1130 4.019,1131 3.982,1132 5.306,1133 3.99,1134 3.648,1135 3.692,1136 3.586,1137 3.513,1138 4.982,1139 3.517,1140 3.491,1141 3.551,1142 3.415,1143 3.312,1144 4.896,1145 3.339,1146 3.289,1147 3.337,1148 3.201,1149 3.11,1150 4.698,1151 3.124,1152 3.216,1153 3.295,1154 3.085,1155 3.065,1156 4.325,1157 3.055,1158 3.039,1159 3.159,1160 2.924,1161 2.933,1162 4.222,1163 2.927,1164 3.028,1165 3.09,1166 2.826,1167 2.707,1168 3.926,1169 2.729,1170 0.155,1171 0.121,1172 0.228,1173 0.14,1174 0.107,1175 4.656,1176 0.154,1177 3.637,1178 0.066,1179 6.836,1180 0.375,1181 4.193,1182 0.105,1183 3.215,1184 4.617,1185 1.987,1186 11.239,1187 3.145,1188 2.08,1189 2.061,1190 2.166,1191 2.145,1192 1.313,1193 2.148,1194 2.023,1195 1.998,1196 2.085,1197 2.123,1198 1.236,1199 2.117,1200 1.605,1201 1.569,1202 1.762,1203 1.783,1204 0.918,1205 1.768,1206 1.429,1207 1.369,1208 1.597,1209 1.641,1210 0.622,1211 1.64,1212 1.242,1213 1.189,1214 1.513,1215 1.462,1216 0.539,1217 1.481,1218 1.214,1219 1.149,1220 1.431,1221 1.42,1222 0.424,1223 1.428,1224 1.045,1225 0.998,1226 1.266,1227 1.343,1228 0.333,1229 1.341,1230 0.946,1231 0.827,1232 1.263,1233 1.197,1234 0.075,1235 1.224,1236 4.111,1238 5.451,1240 6.991,1242 8.629,1244 10.318,1246 1.879,1250 11.637,1252 0.288,1253 2.959,1262 30.509,1263 69.525,1264 163.051,1265 202.045,1266 232.574,1267 237.329,1268 241.329,1269 41.728,1270 7.659,1271 106.92,1272 106.92,1273 24,1274 12.582,1275 4.585,1276 3.7,1277 40.426,1278 110,1279 98,1280 0.18,1281 188.402,1282 313.57,1283 451.462,1284 24056,1286 18.966,1287 0.702,1288 0.55,1289 18.966,1290 14.861,1291 13.008,1292 0.434,1293 0.287,1294 8.529,1295 12.673,1296 8.289,1297 6.896,1298 13.008,1299 8.609,1300 12.148,1301 0.283,1302 0.151,1303 12.148,1304 6.506,1305 10.029,1306 0.176,1307 0.081,1308 10.029,1309 4.622,1310 8.989,1311 0.117,1312 0.043,1313 8.989,1314 3.306,1315 7.029,1316 0.073,1317 0.023,1318 7.029,1319 2.178,1320 0.286,1321 80.428,1322 0.224,1323 26.065,1324 0.483,1325 146,1326 389.983,1327 156.651,1328 392.463,1329 546.01,1330 366,1331 173,1332 414.214,1333 182.321,1334 425.47,1335 620.22,1336 401,1337 8.38}
{0 CHEMBL7062,1 1.791,2 10.917,3 4.999,4 24.986,5 86.26,6 8.253,7 0.462,8 3.841,9 3.965,10 3.462,11 3.315,12 5.04,13 3.337,14 4.411,15 4.567,16 3.956,17 3.723,18 6.161,19 3.713,20 4.606,21 4.815,22 3.798,23 3.886,24 5.62,25 3.819,26 4.719,27 4.959,28 3.782,29 3.87,30 5.837,31 3.785,32 4.72,33 4.981,34 3.658,35 3.765,36 5.9,37 3.685,38 4.594,39 4.877,40 3.362,41 3.589,42 5.648,43 3.48,44 4.303,45 4.584,46 3.296,47 3.362,48 5.255,49 3.271,50 4.122,51 4.345,52 3.248,53 3.108,54 5.416,55 3.131,56 0.187,57 0.834,58 7.22,59 3.666,60 36.64,61 4.231,62 1.173,63 1.489,64 16.24,65 6.779,66 165.666,67 8.215,68 0.491,69 1.317,70 19.89,71 7.899,72 60.863,73 10.779,74 0.625,75 1.437,76 24.376,77 8.859,78 74.847,79 12.208,80 0.823,81 1.415,82 26.597,83 8.175,84 114.801,85 10.978,86 0.814,87 1.073,88 25.267,89 7.114,90 115.679,91 9.926,92 0.44,93 0.809,94 18.465,95 5.782,96 61.893,97 8.676,98 0.614,99 0.786,100 14.621,101 3.674,102 85.912,103 4.253,104 28,105 38,106 0.319,107 0.659,108 0.762,109 0.829,110 0.847,111 0.847,112 3.228,113 0.872,114 -4.62,115 -4.54,116 -4.27,119 39,121 4,122 1,132 1,139 4,140 2,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 5,172 3,173 3,175 1,178 13,180 1,182 5,187 1,189 12,191 1,193 4,195 1,196 1,197 1,198 4,200 2,201 8,204 4,205 1,207 4,212 4,215 8,218 4,221 3,226 2,229 4,231 2,234 6,239 3,243 3,246 6,251 3,256 3,265 2,270 2,273 772,274 15.428,275 15.428,276 15.428,277 15.428,278 15.428,279 13.875,280 19.028,281 8.89,282 16.045,283 12.876,284 12.876,285 12.876,286 12.876,287 12.876,288 10.552,289 18.627,290 4.302,291 14.024,292 3.567,293 1.659,294 1.08,295 0.701,296 0.604,297 0.604,298 3.905,301 1,302 1,303 554,304 3.391,307 208.019,311 110.658,314 1.757,315 37.246,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 55.5,327 262,328 4.418,329 4.437,330 6.503,331 4.053,332 3.139,333 4.092,334 4.032,335 10.195,336 2.997,337 4.204,338 3.273,339 6.455,340 3.9,341 3.081,342 3.662,343 0.394,344 10.178,345 2.653,346 3.952,347 2.864,348 5.587,349 3.627,350 2.655,351 3.126,353 7.7,354 2.389,355 3.575,356 2.575,357 5.248,358 3.301,359 2.349,360 2.837,362 6.711,363 2.178,364 3.416,365 2.329,366 5.064,367 3.023,368 2.092,369 2.666,371 6.013,372 1.926,373 3.31,374 2.221,375 5.023,376 2.945,377 2,378 2.556,380 5.795,381 1.885,382 3.069,383 1.971,384 4.856,385 2.802,386 1.836,387 2.145,389 5.473,390 1.758,391 2.5,392 1.3,393 3.709,394 2,395 1.007,396 1.5,398 2.565,399 1,400 2.091,401 1,402 3.414,403 1.981,404 1,405 1.066,407 2.275,408 0.979,409 1.548,410 0.78,411 3.197,412 1.332,413 0.375,414 0.421,415 0.97,416 0.355,417 1.255,418 0.51,419 2.963,420 0.957,421 0.038,422 0.044,423 0.098,424 0.034,425 0.899,426 0.51,427 2.681,428 0.548,429 -0.371,430 -0.434,431 -1.065,432 -0.339,433 0.738,434 0.336,435 2.515,436 0.456,437 -0.471,438 -0.566,439 -1.261,440 -0.433,441 0.5,442 -0.032,443 2.264,444 0.151,445 -0.814,446 -0.864,448 -2.125,449 -0.7,450 0.394,451 -0.289,452 2,453 0.106,454 -0.833,455 -0.968,457 -2.417,458 -0.7,459 10.79,460 0.45,461 0.873,462 0.036,463 29.25,464 1.219,465 13.5,466 0.563,467 15.75,468 0.656,469 19.573,470 0.816,471 27.61,472 0.673,473 21.708,474 0.904,475 5.629,476 0.235,477 5.67,478 0.236,479 0.154,480 0.046,481 0.324,484 3,485 0.674,486 0.999,487 0.688,488 1.052,489 0.685,490 0.913,491 0.149,492 0.579,493 0.616,494 0.981,495 0.179,496 1.011,497 0.462,498 0.77,499 0.86,500 1.123,501 0.336,502 1.155,503 0.51,504 0.855,505 0.872,506 1.172,507 0.435,508 1.186,509 0.868,510 0.947,511 1.079,512 1.057,513 0.892,514 1.12,515 0.858,516 0.723,517 1.077,518 0.856,519 0.838,520 0.994,521 0.414,522 0.731,523 0.572,524 0.929,525 0.348,526 0.857,527 1.557,528 1.083,529 1.311,530 0.866,531 1.397,532 0.932,533 7.5,534 0.112,535 2.222,536 1.813,537 1.72,538 0.444,539 0.666,540 0.248,541 0.234,542 0.224,543 6586,544 25230,545 2.005,546 41.5,547 7,548 4,551 4,552 2,555 1.663,556 1.834,557 3.38,558 1.86,564 73.418,565 1.791,566 3.698,567 4.278,568 4.656,569 4.754,570 4.754,571 2.887,572 3.772,573 4.556,574 3.583,575 988.825,576 7.829,577 11852.8,579 1,582 219.66,583 1.697,584 4.483,585 0.288,586 0.008,587 0.058,588 0.052,589 0.054,590 0.016,591 0.033,592 0.012,593 0.013,594 0.013,595 0.549,596 0.17,597 1,598 1.045,599 115.623,600 -0.087,601 -0.019,603 0.05,604 -0.129,605 0.073,606 0.714,607 0.46,608 0.216,609 0.1,610 0.63,611 -0.023,612 -0.003,613 -0.057,614 -0.064,615 -0.103,616 0.032,617 -0.108,618 0.04,619 -0.135,620 0.003,621 -0.183,622 0.078,623 -0.135,624 -0.102,625 -0.098,626 -0.12,627 -0.1,628 -0.081,629 -0.105,630 -0.108,631 0.026,632 -0.081,633 0.073,634 -0.106,635 0.036,636 0.12,637 -0.146,638 0.388,639 0.035,640 0.11,641 0.246,642 -0.376,643 -0.084,644 -0.292,645 0.038,646 -0.316,647 -0.043,648 5.923,649 4.167,650 0.667,651 22.361,652 1.033,653 1.16,654 3.393,655 11.509,656 0.643,657 3.296,658 3.664,659 3.807,660 4.094,661 4.317,662 4.317,663 4.466,664 4.522,665 4.615,666 4.595,667 6.452,668 0.638,669 338.37,670 3.296,671 4.86,672 5.68,673 6.575,674 7.413,675 8.305,676 9.152,677 10.041,678 10.895,679 11.781,680 9.8,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 1,718 41,719 12,720 1,721 26,723 43,724 16,725 10,726 2,727 4,729 3,730 4,736 3,737 1,739 4,741 10,742 6,743 1,755 3,757 17,758 8,759 4,760 8,764 4,769 0.667,770 1,776 1,781 3,785 1,802 2,808 3,810 24,811 2,816 4,818 1,820 1,822 1,828 3,829 2.4,834 1,836 13.083,837 7.079,838 5.014,839 2.363,840 2.27,841 1.319,842 0.989,843 4.549,844 9.392,845 3.497,846 4.094,847 4.538,848 5.078,849 5.572,850 5.631,851 5.82,852 6.048,853 6.3,854 6.54,855 1,856 35,857 9.352,859 4.422,860 8.337,861 16.252,863 13.481,865 2.837,866 68.083,869 1,870 153.024,871 76.459,872 99.365,874 11,875 44.88,877 76.459,878 164.024,879 144.246,881 10.138,882 103.699,883 33.571,884 70.252,885 4.227,886 153.024,887 9.817,888 153.024,889 175.824,890 55.88,893 153.024,894 11,895 44.88,896 9.817,897 14.794,898 117.642,899 33.571,901 197.905,902 110.365,903 76.459,906 162.842,907 28.736,908 37.905,910 155.246,911 153.024,912 155.246,913 76.459,915 0.598,916 0.307,917 0.169,918 0.095,919 19,920 9,921 0.07,922 3,923 1,924 1.125,925 3.594,926 189.691,927 0.125,928 16,929 101.284,933 16.844,934 6.481,935 4.308,937 155.246,938 5.967,939 8.221,943 3.157,945 65.794,946 384.729,947 32,956 42.341,957 47.543,958 0.334,959 0.69,960 0.798,961 0.869,962 0.887,963 0.887,964 4.771,965 1.007,966 5.727,967 5.473,968 4.344,969 4.779,970 3.176,971 6.547,972 4.2,973 6,974 1,975 7.296,976 2.565,977 4.205,978 4.718,979 4.042,980 7.627,981 3.862,982 7.324,983 0.375,984 8.963,985 2.275,986 6.014,987 6.923,988 5.634,989 10.558,990 5.711,991 8.671,992 0.038,993 10.684,994 0.97,995 6.567,996 7.535,997 6.952,998 12.357,999 6.06,1000 10.041,1001 -0.371,1002 12.438,1003 0.098,1004 7.953,1005 9.328,1006 8.373,1007 14.89,1008 7.473,1009 11.427,1010 -0.471,1011 14.215,1012 -1.065,1013 8.813,1014 10.272,1015 9.758,1016 16.99,1017 8.164,1018 12.826,1019 -0.814,1020 16.008,1021 -1.261,1022 10.039,1023 11.88,1024 11.156,1025 19.388,1026 9.387,1027 3.139,1028 -0.833,1029 17.815,1030 -2.125,1031 11.044,1032 13.014,1033 12.548,1034 21.615,1035 10.264,1036 3.081,1037 10.195,1038 19.632,1039 -2.417,1040 12.207,1041 14.525,1042 13.943,1043 23.964,1044 11.4,1045 2.655,1046 10.178,1047 21.458,1048 4.092,1049 13.279,1050 15.768,1051 15.337,1052 26.245,1053 12.376,1054 2.349,1055 7.7,1056 23.291,1057 3.662,1058 14.419,1059 17.227,1060 16.732,1061 28.576,1062 13.476,1063 2.092,1064 6.711,1065 25.13,1066 3.126,1067 15.523,1068 18.535,1069 18.126,1070 30.879,1071 14.504,1072 2,1073 6.013,1074 26.974,1075 2.837,1076 16.655,1077 19.965,1078 19.52,1079 33.203,1080 15.591,1081 1.836,1082 5.795,1083 28.823,1084 2.666,1085 17.774,1086 21.312,1087 20.915,1088 35.517,1089 16.646,1090 6476,1091 12916,1092 16.701,1093 26.381,1094 39.599,1095 39.151,1096 39.73,1097 39.451,1098 39.145,1099 48.231,1100 8.852,1101 115.95,1102 36.309,1103 5.363,1104 6.437,1105 5.917,1106 5.124,1107 5.139,1108 7.092,1109 5.542,1110 17.089,1111 4.997,1112 14.252,1113 1.523,1114 1.506,1115 1.528,1116 1.517,1117 1.506,1118 1.855,1119 0.34,1120 4.46,1121 1.397,1122 4.022,1123 4.063,1124 3.96,1125 3.929,1126 8.516,1127 3.928,1128 3.887,1129 3.917,1130 3.841,1131 3.789,1132 7.999,1133 3.795,1134 3.555,1135 3.617,1136 3.499,1137 3.365,1138 7.999,1139 3.38,1140 3.4,1141 3.435,1142 3.383,1143 3.048,1144 5.282,1145 3.092,1146 3.177,1147 3.27,1148 3.028,1149 2.929,1150 4.978,1151 2.967,1152 3.08,1153 3.177,1154 2.952,1155 2.799,1156 4.801,1157 2.844,1158 2.854,1159 2.962,1160 2.687,1161 2.735,1162 4.46,1163 2.715,1164 2.846,1165 2.925,1166 2.642,1167 2.571,1168 4.169,1169 2.583,1170 0.17,1171 0.171,1172 0.25,1173 0.156,1174 0.121,1175 4.418,1176 0.157,1177 4.437,1178 0.155,1179 6.503,1180 0.392,1181 4.053,1182 0.115,1183 3.139,1184 4.092,1185 4.032,1186 10.195,1187 2.997,1188 1.979,1189 1.945,1190 2.116,1191 2.099,1192 1.469,1193 2.103,1194 1.858,1195 1.829,1196 1.968,1197 1.977,1198 1.113,1199 1.972,1200 1.49,1201 1.431,1202 1.641,1203 1.72,1204 0.785,1205 1.706,1206 1.203,1207 1.141,1208 1.494,1209 1.538,1210 0.74,1211 1.46,1212 1.075,1213 1.021,1214 1.315,1215 1.416,1216 0.39,1217 1.392,1218 0.954,1219 0.886,1220 1.202,1221 1.326,1222 0.218,1223 1.31,1224 0.886,1225 0.821,1226 1.181,1227 1.143,1228 0.085,1229 1.17,1230 0.799,1231 0.685,1232 1.062,1233 1.062,1235 1.107,1236 3.97,1238 5.323,1240 6.847,1242 8.452,1244 10.101,1248 36.5,1250 11.527,1252 3.174,1254 3.875,1256 0.335,1258 -4.673,1262 26.165,1263 73.418,1264 151.621,1265 175.395,1266 190.905,1267 194.905,1268 194.905,1269 48.271,1270 7.122,1271 87.05,1272 87.05,1273 18,1274 12.319,1275 3.7,1276 2.807,1277 39.593,1278 94,1279 78,1280 0.21,1281 159.271,1282 281.64,1283 380.382,1284 11366,1285 7.3,1286 17.32,1287 0.722,1288 0.534,1289 14.82,1290 12.806,1291 11.299,1292 0.435,1293 0.291,1294 7.401,1295 10.684,1296 7.315,1297 5.999,1298 10.152,1299 7.554,1300 11.544,1301 0.304,1302 0.155,1303 9.188,1304 5.897,1305 7.901,1306 0.18,1307 0.093,1308 7.577,1309 4.106,1310 6.994,1311 0.119,1312 0.052,1313 6.332,1314 3.065,1315 5.643,1316 0.076,1317 0.031,1318 5.148,1319 2.273,1320 0.335,1321 72.198,1322 0.245,1323 23.69,1324 0.559,1325 128,1326 559.984,1327 157.432,1328 460.077,1329 597.34,1330 424,1331 146,1332 422.597,1333 164.047,1334 406.96,1335 614.12,1336 380,1337 6.77}
{0 CHEMBL7063,1 1.577,2 10.16,3 2.83,4 8.006,5 98.075,6 7.03,7 0.444,8 3.991,9 4.117,10 3.499,11 3.435,12 5.102,13 3.431,14 4.532,15 4.716,16 3.839,17 3.824,18 5.558,19 3.795,20 4.714,21 4.895,22 3.973,23 4.018,24 5.715,25 3.964,26 4.883,27 5.098,28 3.951,29 4.079,30 5.859,31 3.989,32 4.971,33 5.201,34 3.765,35 4.053,36 5.883,37 3.94,38 4.909,39 5.169,40 3.555,41 3.958,42 5.738,43 3.801,44 4.836,45 5.138,46 3.52,47 3.786,48 5.587,49 3.641,50 4.568,51 4.817,52 3.456,53 3.608,54 5.479,55 3.518,56 0.058,57 0.706,58 11.206,59 4.292,60 12.423,61 5.924,62 0.358,63 1.07,64 21.05,65 7.498,66 32.658,67 10.119,68 0.396,69 1.322,70 24.663,71 8.72,72 27.544,73 12.562,74 0.383,75 1.45,76 29.886,77 10.389,78 42.581,79 15.101,80 0.619,81 1.44,82 34.274,83 10.2,84 57.633,85 14.988,86 0.477,87 1.318,88 32.211,89 10.077,90 50.169,91 15.132,92 0.438,93 1.115,94 31.028,95 9.417,96 43.216,97 14.408,98 0.354,99 0.939,100 23.019,101 6.558,102 33.545,103 9.966,104 35,105 38,106 0.27,107 0.57,108 0.712,109 0.762,110 0.786,111 0.815,112 3.267,113 0.917,114 -3.48,115 -3.46,116 -3.3,119 36.7,121 4,122 1,124 3,139 2,140 2,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 5,172 3,173 3,175 1,178 10,180 1,181 2,182 7,187 1,189 8,191 1,192 1,193 8,195 1,196 1,197 1,198 4,200 2,201 6,204 4,205 1,207 6,212 4,215 4,218 4,221 7,226 2,231 2,234 10,239 3,243 3,246 2,251 1,256 1,259 4,262 2,263 2,265 2,270 2,273 829,274 16.936,275 16.936,276 16.936,277 16.936,278 16.936,279 15.383,280 23.991,281 9.732,282 17.624,283 13.136,284 13.136,285 13.136,286 13.136,287 13.136,288 10.573,289 27.189,290 4.352,291 13.965,292 4.038,293 2.287,294 1.46,295 1.169,296 1.031,297 0.863,298 3.947,300 1,301 1,302 1,303 534,304 2.915,307 212.087,311 111.697,314 1.446,315 23.81,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 55,327 254,328 4.431,329 3.381,330 6.525,331 4.062,332 3.094,333 4.107,334 0.86,335 10.269,336 3.004,337 4.408,338 3.269,339 6.501,340 4.001,341 3.05,342 4.089,343 0.86,344 10.172,345 2.894,346 3.682,347 2.7,348 5.53,349 3.475,350 2.5,351 2.942,352 0.86,353 7.51,354 2.431,355 3.483,356 2.555,357 5.19,358 3.093,359 2.148,360 2.8,362 6.168,363 2.03,364 3.355,365 2.342,366 5.086,367 2.972,368 2.061,369 2.604,371 6.118,372 1.89,373 3.314,374 2.221,375 5.056,376 2.952,377 2.008,378 2.559,380 5.796,381 1.867,382 3.083,383 2.039,384 4.906,385 2.827,386 1.86,387 2.156,389 5.559,390 1.79,391 2.195,392 1.883,393 3.782,394 1.986,395 1.145,396 1.183,398 2.565,399 0.98,400 2.091,401 1.3,402 3.708,403 1.967,404 1.006,405 1.065,407 2.399,408 0.94,409 1.576,410 1.028,411 3.016,412 1.271,413 0.396,414 0.452,415 0.711,416 0.342,417 1.473,418 0.916,419 2.859,420 1.27,421 0.374,422 0.399,423 0.603,424 0.327,425 1.361,426 0.451,427 2.69,428 1.117,429 0.213,430 0.237,431 0.359,432 0.195,433 1.03,434 0.157,435 2.525,436 0.735,437 -0.206,438 -0.241,439 -0.453,440 -0.192,441 0.857,442 -0.182,443 2.486,444 0.48,445 -0.445,446 -0.549,448 -1.126,449 -0.408,450 0.65,451 -0.299,452 2.297,453 0.299,454 -0.627,455 -0.707,457 -1.392,458 -0.568,459 11.6,460 0.464,461 0.622,462 0.025,463 31,464 1.24,465 14.5,466 0.58,467 16.5,468 0.66,469 22.048,470 0.882,471 28.6,472 0.584,473 22.343,474 0.894,475 6.071,476 0.243,477 5.979,478 0.239,479 0.198,481 0.388,485 0.985,486 1.376,487 0.863,488 1.225,489 1.11,490 1.039,491 1.163,492 0.838,493 0.831,494 0.85,495 0.741,496 0.809,497 0.764,498 1.232,499 0.951,500 1.171,501 0.762,502 1.1,503 0.744,504 1.208,505 0.998,506 1.274,507 0.75,508 1.195,509 1.46,510 1.005,511 1.317,512 1.056,513 1.436,514 1.151,515 1.055,516 1.001,517 1.202,518 1.123,519 1.169,520 1.181,521 0.868,522 0.811,523 0.727,524 0.791,525 0.661,526 0.753,527 1.266,528 1.03,529 1.041,530 0.982,531 1.178,532 0.972,533 6,534 0.136,535 2.667,536 2.313,537 1.942,538 0.764,539 0.546,540 0.248,541 0.349,542 0.255,543 6647,544 18207,545 2.015,546 49,547 7,548 11,551 4,552 2,555 1.68,556 1.852,557 3.303,558 1.776,559 1,560 1,564 77.268,565 1.577,566 3.327,567 4.155,568 4.446,569 4.583,570 4.752,571 2.713,572 4.164,573 4.618,574 3.439,575 1031.71,576 7.986,577 12394.6,579 1,581 1,582 275.121,583 1.516,584 4.555,585 0.222,586 0.009,587 0.07,588 0.055,589 0.05,590 0.025,591 0.023,592 0.01,593 0.015,594 0.012,595 0.49,596 0.17,597 1,598 1.017,599 120.099,600 -0.088,601 -0.082,602 0.044,603 -0.054,604 -0.122,605 0.019,606 -0.033,607 0.258,608 0.14,609 0.23,610 0.158,611 0.207,612 0.114,613 -0.08,614 -0.023,615 -0.071,616 0.037,617 -0.066,618 0.081,619 -0.14,620 -0.063,621 -0.215,622 0.094,623 -0.171,624 -0.297,625 -0.017,626 -0.323,627 -0.074,628 -0.356,629 -0.187,630 -0.16,631 -0.051,632 -0.238,633 -0.136,634 -0.26,635 -0.191,636 0.02,637 -0.005,638 0.262,639 0.165,640 0.115,641 0.243,642 -0.159,643 -0.08,644 -0.04,645 -0.024,646 -0.155,647 -0.01,648 1.417,649 2.039,650 0.64,651 20.339,652 1.005,653 1.138,654 2.248,655 5.051,656 0.633,657 3.332,658 3.664,659 3.951,660 4.234,661 4.443,662 4.466,663 4.554,664 4.615,665 4.762,666 4.796,667 5.959,668 0.602,669 344.46,670 3.332,671 4.875,672 5.733,673 6.624,674 7.497,675 8.39,676 9.267,677 10.159,678 11.039,679 11.93,680 8.2,684 2,690 2,695 2,696 2,700 8,702 12,711 2,716 3,718 49,719 12,720 1,721 27,723 51,724 18,725 10,726 4,727 2,729 3,730 4,736 3,737 1,739 4,741 10,742 8,743 1,753 1,754 1,757 24,758 7,759 4,760 7,764 4,769 0.667,770 3,776 1,781 3,785 1,802 2,806 3,810 25,811 2,816 4,818 3,820 1,829 6.1,834 3,836 13.5,837 9.567,838 5.694,839 2.7,840 2.297,841 1.319,842 0.955,843 5.421,844 9.505,845 3.526,846 4.127,847 4.687,848 5.23,849 5.703,850 5.83,851 5.941,852 6.11,853 6.437,854 6.714,855 0.857,856 42,857 9.196,859 3.798,860 7.707,861 17.623,863 14.216,865 2.207,866 55.167,869 1,870 235.422,871 90.825,872 99.365,874 33,877 90.825,878 268.422,879 99.365,880 32.649,881 10.138,882 84.747,883 33.571,884 57.858,885 4.227,886 235.422,888 235.422,889 190.19,890 33,893 235.422,894 33,897 14.794,898 141.825,899 33.571,901 235.422,902 132.365,903 90.825,906 235.422,907 39.223,908 51.602,910 132.365,911 235.422,912 132.365,913 90.825,915 0.576,916 0.357,917 0.205,918 0.11,919 18,920 9,921 0.098,922 5,923 1,924 1.125,925 3.578,926 206.469,927 0.125,928 16,929 108.096,933 17.924,934 7.561,935 3.71,937 132.365,938 3.999,939 8.417,943 5.835,945 65.794,946 458.612,947 33,956 49.225,957 55.773,958 0.281,959 0.593,960 0.74,961 0.792,962 0.816,963 0.846,964 4.779,965 1.145,966 5.733,967 5.559,968 4.344,969 4.812,970 1.693,971 6.567,972 4.239,973 5.988,974 1.006,975 7.309,976 2.565,977 4.007,978 4.745,980 7.496,981 3.872,982 7.308,983 0.396,984 8.978,985 2.399,986 5.964,987 7.012,988 1.454,989 10.585,990 5.785,991 8.662,992 0.374,993 10.7,994 0.711,995 6.399,996 7.706,998 12.296,999 6.179,1000 10.044,1001 0.213,1002 12.456,1003 0.603,1004 7.848,1005 9.499,1006 1.232,1007 14.913,1008 7.602,1009 11.446,1010 -0.206,1011 14.236,1012 0.359,1013 8.648,1014 10.55,1016 16.969,1017 8.354,1018 12.864,1019 -0.445,1020 16.033,1021 -0.453,1022 9.897,1023 12.148,1024 1.028,1025 19.412,1026 9.579,1027 3.094,1028 -0.627,1029 17.844,1030 -1.126,1031 10.871,1032 13.377,1034 21.621,1035 10.506,1036 3.05,1037 10.269,1038 19.666,1039 -1.392,1040 12.039,1041 14.884,1042 0.845,1043 23.994,1044 11.647,1045 2.5,1046 10.172,1047 21.498,1048 4.107,1049 13.094,1050 16.201,1052 26.268,1053 12.657,1054 2.148,1055 7.51,1056 23.337,1057 4.089,1058 14.231,1059 17.662,1060 0.684,1061 28.613,1062 13.764,1063 2.061,1064 6.168,1065 25.182,1066 2.942,1067 15.323,1068 19.025,1070 30.916,1071 14.813,1072 2.008,1073 6.118,1074 27.033,1075 2.8,1076 16.449,1077 20.462,1078 0.546,1079 33.249,1080 15.906,1081 1.86,1082 5.796,1083 28.887,1084 2.604,1085 17.556,1086 21.848,1088 35.564,1089 16.974,1090 6593,1091 11001,1092 17.512,1093 31,1094 39.567,1095 41.061,1096 42.395,1097 39.587,1098 39.714,1099 49.186,1100 5.16,1101 116.459,1102 37.379,1103 5.376,1104 5.381,1105 6.068,1106 5.133,1107 5.094,1108 7.107,1109 1.72,1110 17.19,1111 5.004,1112 14.394,1113 1.465,1114 1.521,1115 1.57,1116 1.466,1117 1.471,1118 1.822,1119 0.191,1120 4.313,1121 1.384,1122 4.028,1123 4.065,1124 3.971,1125 3.93,1126 5.282,1127 3.934,1128 3.902,1129 3.922,1130 3.867,1131 3.79,1132 4.979,1133 3.803,1134 3.555,1135 3.619,1136 3.453,1137 3.369,1138 4.97,1139 3.385,1140 3.303,1141 3.355,1142 3.144,1143 3.063,1144 4.58,1145 3.067,1146 3.278,1147 3.343,1148 3.125,1149 3.006,1150 4.473,1151 3.026,1152 3.205,1153 3.285,1154 3.016,1155 2.936,1156 4.454,1157 2.939,1158 3.154,1159 3.254,1160 2.971,1161 2.893,1162 4.224,1163 2.892,1164 3.014,1165 3.12,1166 2.805,1167 2.771,1168 3.961,1169 2.77,1170 0.164,1171 0.125,1172 0.242,1173 0.15,1174 0.115,1175 4.431,1176 0.152,1177 3.381,1178 0.032,1179 6.525,1180 0.38,1181 4.062,1182 0.111,1183 3.094,1184 4.107,1185 0.86,1186 10.269,1187 3.004,1188 1.976,1189 1.946,1190 2.109,1191 2.1,1192 1.469,1193 2.102,1194 1.852,1195 1.832,1196 1.939,1197 1.987,1198 1.117,1199 1.97,1200 1.494,1201 1.437,1202 1.654,1203 1.727,1204 0.789,1205 1.715,1206 1.241,1207 1.174,1208 1.59,1209 1.558,1210 0.741,1211 1.565,1212 1.227,1213 1.163,1214 1.571,1215 1.52,1216 0.584,1217 1.538,1218 1.167,1219 1.081,1220 1.551,1221 1.481,1222 0.572,1223 1.509,1224 1.124,1225 1.038,1226 1.457,1227 1.409,1228 0.557,1229 1.415,1230 0.981,1231 0.883,1232 1.285,1233 1.289,1234 0.354,1235 1.316,1236 4.007,1238 5.333,1240 6.868,1242 8.504,1244 10.191,1246 4.854,1250 11.73,1252 3.624,1254 16.258,1256 0.449,1262 29.498,1263 77.268,1264 163.043,1265 203.572,1266 217.837,1267 224.591,1268 232.856,1269 41.286,1270 7.208,1271 105.51,1272 105.51,1273 18,1274 12.46,1275 3.7,1276 2.807,1277 41.795,1278 91,1279 83,1280 0.231,1281 182.854,1282 315.61,1283 437.924,1284 12078,1286 17.974,1287 0.719,1288 0.593,1289 17.974,1290 14.834,1291 12.05,1292 0.446,1293 0.306,1294 8.075,1295 11.394,1296 7.791,1297 6.513,1298 12.05,1299 8.249,1300 10.639,1301 0.28,1302 0.164,1303 10.639,1304 6.239,1305 9.037,1306 0.177,1307 0.092,1308 9.037,1309 4.673,1310 7.942,1311 0.117,1312 0.051,1313 7.942,1314 3.491,1315 6.308,1316 0.075,1317 0.031,1318 6.308,1319 2.562,1320 0.36,1321 77.037,1322 0.239,1323 24.056,1324 0.642,1325 130,1326 395.121,1327 145.019,1328 371.826,1329 508.78,1330 350,1331 154,1332 372.96,1333 169.185,1334 380.281,1335 552.28,1336 352,1337 7.42}
{0 CHEMBL7077,1 1.491,2 4.769,3 1.441,4 2.077,5 53.502,6 7.575,7 0.786,8 3.257,9 3.409,10 2.827,11 2.772,12 4.485,13 2.768,14 3.681,15 3.867,16 3.188,17 3.124,18 4.907,19 3.096,20 3.832,21 4.023,22 3.204,23 3.216,24 4.968,25 3.181,26 3.88,27 4.095,28 3.077,29 3.124,30 5.092,31 3.047,32 3.878,33 4.168,34 2.406,35 2.835,36 4.963,37 2.684,38 3.493,39 3.872,40 1.527,41 2.254,42 4.174,43 1.955,44 2.54,45 2.885,46 0.564,47 1.4,48 3.367,49 1.141,50 2.091,51 2.539,52 0.055,53 0.77,54 2.197,55 0.441,56 0.042,57 0.382,58 4.66,59 1.594,60 8.918,61 2.306,62 0.121,63 0.557,64 7.694,65 3.047,66 15.11,67 4.271,68 0.081,69 0.629,70 9.017,71 2.926,72 11.371,73 4.379,74 0.082,75 0.608,76 9.834,77 3.399,78 17.297,79 5.121,80 0.216,81 0.498,82 11.34,83 2.288,84 33.108,85 3.973,86 0.101,87 0.251,88 8.97,89 2.556,90 17.359,91 4.24,92 0.054,93 0.095,94 3.174,95 0.752,96 9.786,97 1.283,98 0.029,99 0.036,100 2.391,101 0.649,102 4.544,103 1.121,104 10,105 20,106 0.305,107 0.693,108 0.771,109 0.848,110 0.848,111 0.848,112 2.672,113 0.85,114 -3.34,115 -3.32,116 -3.18,119 39.1,120 1,139 3,140 2,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 3,172 3,173 3,175 1,178 6,180 1,182 3,187 1,189 3,191 1,193 5,195 1,196 1,197 1,198 5,200 2,201 1,204 5,205 1,207 1,212 3,218 3,226 2,231 2,273 115,274 8.5,275 8.5,276 8.5,277 8.5,278 8.5,279 7.091,280 8.75,281 4.924,282 8.678,283 6.895,284 6.895,285 6.895,286 6.895,287 6.895,288 4.84,289 10.888,290 2.314,291 7.194,292 3.033,293 1.142,294 0.761,295 0.381,296 0.381,297 0.381,298 3.303,301 1,302 1,303 128,304 1.581,307 50.688,311 43.706,314 0.746,315 10.381,318 1,319 0.67,320 0.83,321 0.6,323 1,324 1,325 0.73,326 28,327 62,328 4.604,329 3.21,330 6.732,331 4.122,332 3.147,333 4.566,335 10.876,336 3.071,337 3.693,338 2.441,339 5.229,340 3.235,341 2.301,342 3.152,344 6.442,345 2.147,346 3.447,347 2.078,348 5.06,349 2.959,350 2.009,351 2.858,353 5.816,354 1.907,355 3.102,356 1.894,357 4.636,358 2.684,359 1.721,360 2.33,362 4.639,363 1.651,364 2.641,365 1.239,366 3.681,367 2.175,368 1.195,369 1.701,371 2.726,372 1.168,373 1.285,374 0.126,375 2.727,376 0.849,377 -0.092,378 -0.118,380 -0.239,381 -0.086,382 1.168,383 -0.079,384 2.573,385 0.768,386 -0.208,387 -0.279,389 -0.504,390 -0.203,391 0.792,392 -0.32,393 2.333,394 0.396,395 -0.529,396 -0.639,398 -1.252,399 -0.49,400 0.375,401 -0.81,402 1.749,403 0.035,404 -0.915,405 -1.224,407 -2.329,408 -0.869,409 -0.066,410 -1.184,411 1.457,412 -0.384,413 -1.369,414 -1.767,415 -3.4,416 -1.325,417 -0.22,418 -1.413,419 1.264,420 -0.585,421 -1.519,422 -2.051,423 -4.15,424 -1.426,425 -0.321,426 -1.702,427 1.095,428 -0.781,429 -1.739,430 -2.529,431 -5.153,432 -1.674,433 -0.5,434 -2,435 1,436 -1,437 -2,438 -3,439 -6.572,440 -1.874,441 -0.5,442 -2,443 0.464,444 -1.072,445 -2,446 -3,448 -6.899,449 -2,459 6.1,460 0.469,461 0.404,462 0.031,463 19.5,464 1.5,465 11,466 0.846,467 8.5,468 0.654,469 6.685,470 0.514,471 13.7,472 0.596,473 11.042,474 0.849,475 3.883,476 0.299,477 2.298,478 0.177,479 0.213,481 0.41,485 1.227,486 1.162,487 0.845,488 0.85,489 1.443,490 0.796,491 0.311,492 0.831,493 0.595,494 0.88,495 0.326,496 0.799,497 1.176,498 1.23,499 0.982,500 1.038,501 0.968,502 0.988,503 0.673,504 1.475,505 1.015,506 1.467,507 0.555,508 1.324,509 2.031,510 0.896,511 1.7,512 1.042,513 2.027,514 1.273,515 0.542,516 0.642,517 0.721,518 0.762,519 0.619,520 0.769,521 1.374,522 0.586,523 1.374,524 0.891,525 1.914,526 1.093,533 3,535 1.556,536 1.563,537 0.858,538 0.264,539 0.04,543 908,544 2555,545 1.992,546 43.5,547 3,548 3,551 4,555 1.492,556 1.814,557 2.331,558 2.417,562 1,564 34.293,565 1.491,566 3.382,567 3.762,568 4.143,569 4.143,570 4.143,571 1.826,572 3.547,573 3.68,574 2.341,575 182.572,576 6.128,577 1348.12,579 1,582 104.042,583 1.549,584 3.601,585 0.214,587 0.078,588 0.078,589 0.054,590 0.044,591 0.02,595 0.488,596 0.5,597 1,598 0.773,599 45.596,600 -0.279,601 0.048,602 -0.019,603 0.151,604 -0.432,605 0.115,606 0.525,607 0.277,608 0.276,609 0.153,610 0.398,611 0.171,612 -0.235,613 -0.125,614 -0.111,615 -0.058,616 -0.196,617 -0.063,618 0.197,619 -0.475,620 -0.114,621 -0.49,622 0.344,623 -0.374,624 -0.694,625 0.045,626 -0.692,627 -0.238,628 -0.688,629 -0.428,630 0.209,631 -0.046,632 0.401,633 0.221,634 0.255,635 0.322,636 -0.322,637 0.124,638 -0.28,639 -0.011,640 -0.524,641 -0.118,642 0.623,643 0.328,644 1.281,645 1.023,646 0.682,647 1.22,648 1.449,649 1.727,650 0.769,651 4.757,652 1.003,653 1.141,654 2.107,655 4.44,656 0.666,657 2.708,658 3.045,659 3.296,660 3.584,661 3.689,662 3.638,663 3.367,664 3.332,665 3.091,666 2.485,667 3.105,668 0.638,669 174.23,670 2.708,671 4.234,672 5.081,673 5.974,674 6.836,675 7.733,676 8.599,677 9.497,678 10.364,679 11.261,680 17.4,684 2,690 2,694 2,695 3,696 2,700 3,702 11,711 2,718 23,719 11,720 1,721 14,723 24,724 9,725 8,726 3,727 3,729 2,730 3,734 1,741 8,742 1,757 10,758 4,759 4,760 4,764 4,769 0.5,776 1,781 2,785 1,802 1,806 1,810 13,811 2,836 7.167,837 4.317,838 2.833,839 1.193,840 2.387,841 1.426,842 1.017,843 1.725,844 7.993,845 3.02,846 3.726,847 4.379,848 5.037,849 5.577,850 5.837,851 6.019,852 6.337,853 6.541,854 5.954,855 1,856 20,857 4.729,858 -0.003,859 1.959,860 7.833,861 8.856,862 -0.001,863 7.007,864 0.001,865 2.333,866 30.333,867 0.006,870 70.627,871 49.384,872 99.365,877 49.384,878 70.627,879 99.365,880 8.825,882 94.223,883 33.571,884 7.903,885 4.227,886 70.627,888 70.627,889 148.749,893 70.627,897 12.868,898 102.31,899 33.571,901 70.627,902 99.365,903 49.384,906 70.627,907 12.13,908 37.254,910 99.365,911 70.627,912 99.365,913 49.384,915 0.59,916 0.348,917 0.201,918 0.097,919 11,920 5,923 1,924 1.2,925 2.423,926 81.655,927 0.2,928 10,929 46.106,933 8.108,934 2.765,935 1.262,936 1.682,937 99.365,938 5.762,939 7.991,943 1.728,945 65.794,946 219.376,947 19.5,956 23.058,957 26.239,958 0.33,959 0.748,960 0.832,961 0.916,962 0.916,963 0.916,964 4.23,965 -0.529,966 5.094,967 -0.504,968 3.714,969 4.407,971 5.932,972 3.635,973 5.489,974 -0.915,975 6.673,976 -1.252,977 3.434,978 4.407,980 6.905,981 3.319,982 6.828,983 -1.369,984 8.355,985 -2.329,986 5.323,987 6.771,989 10.029,990 5.181,991 8.206,992 -1.519,993 10.095,994 -3.4,995 5.802,996 7.563,998 11.842,999 5.638,1000 9.614,1001 -1.739,1002 11.875,1003 -4.15,1004 7.238,1005 9.442,1007 14.503,1008 7.05,1009 11.045,1010 -2,1011 13.683,1012 -5.153,1013 8.086,1014 10.626,1016 16.668,1017 7.883,1018 12.496,1019 -2,1020 15.513,1021 -6.572,1022 9.341,1023 12.298,1025 19.16,1026 9.116,1027 3.147,1029 17.36,1030 -6.899,1031 10.359,1032 13.669,1034 21.463,1035 10.118,1036 2.301,1037 10.876,1038 19.22,1040 11.545,1041 15.252,1043 23.89,1044 11.282,1045 2.009,1046 6.442,1047 21.092,1048 4.566,1049 12.637,1050 16.707,1052 26.245,1053 12.354,1054 1.721,1055 5.816,1056 22.971,1057 3.152,1058 13.796,1059 18.253,1061 28.648,1062 13.492,1063 1.195,1064 4.639,1065 24.857,1066 2.858,1067 14.919,1068 19.744,1070 31.023,1071 14.593,1072 -0.092,1073 2.726,1074 26.748,1075 2.33,1076 16.07,1077 21.274,1079 33.415,1080 15.721,1081 -0.208,1082 -0.239,1083 28.642,1084 1.701,1085 17.206,1086 22.781,1088 35.797,1089 16.835,1090 978,1091 1707,1092 8.959,1093 15.307,1094 21.045,1095 20.709,1096 22.104,1097 20.778,1098 20.745,1099 29.215,1101 60.998,1102 19.891,1103 5.104,1104 5.21,1105 6.268,1106 5.193,1107 5.147,1108 7.566,1110 17.775,1111 5.071,1112 6.434,1113 1.503,1114 1.479,1115 1.579,1116 1.484,1117 1.482,1118 2.087,1120 4.357,1121 1.421,1122 4.068,1123 4.102,1124 4.037,1125 3.982,1126 5.306,1127 3.99,1128 3.485,1129 3.558,1130 3.408,1131 3.281,1132 4.982,1133 3.307,1134 3.217,1135 3.299,1136 3.085,1137 3.065,1138 4.702,1139 3.055,1140 3.029,1141 3.159,1142 2.827,1143 2.707,1144 4.189,1145 2.729,1146 2.752,1147 2.855,1148 2.597,1149 2.528,1150 3.925,1151 2.533,1152 2.45,1153 2.575,1154 2.159,1155 2.161,1156 3.618,1157 2.146,1158 2.194,1159 2.31,1160 1.979,1161 1.785,1162 3.128,1163 1.81,1164 1.95,1165 2.077,1166 1.746,1167 1.58,1168 3.018,1169 1.602,1170 0.329,1171 0.229,1172 0.481,1173 0.294,1174 0.225,1175 4.604,1176 0.326,1177 3.21,1179 6.732,1180 0.777,1181 4.122,1182 0.219,1183 3.147,1184 4.566,1186 10.876,1187 3.071,1188 2.021,1189 1.995,1190 2.094,1191 2.128,1192 1.22,1193 2.117,1194 1.411,1195 1.344,1196 1.599,1197 1.658,1198 0.622,1199 1.646,1200 1.221,1201 1.15,1202 1.499,1203 1.435,1204 0.425,1205 1.463,1206 0.946,1207 0.827,1208 1.264,1209 1.343,1210 0.042,1211 1.341,1212 0.714,1213 0.625,1214 1.019,1215 1.011,1217 1.021,1218 0.446,1219 0.32,1220 0.85,1221 0.76,1223 0.799,1224 0.115,1226 0.432,1227 0.445,1229 0.447,1232 0.268,1233 0.238,1235 0.235,1236 3.367,1238 4.691,1240 6.232,1242 7.883,1244 9.589,1246 1.97,1250 11.199,1262 14.666,1263 34.293,1264 77.777,1265 86.532,1266 95.287,1267 95.287,1268 95.287,1269 12.712,1270 5.606,1271 77.82,1272 77.82,1273 12,1274 11.791,1275 3.585,1276 2.7,1277 18.966,1278 25,1279 20,1280 0.43,1281 94.855,1282 148.54,1283 223.206,1284 1400,1286 9.422,1287 0.725,1288 0.56,1289 9.422,1290 7.281,1291 6.182,1292 0.442,1293 0.283,1294 3.917,1295 5.98,1296 3.781,1297 3.182,1298 6.182,1299 3.966,1300 5.799,1301 0.29,1302 0.147,1303 5.799,1304 2.936,1305 4.572,1306 0.176,1307 0.076,1308 4.572,1309 1.977,1310 4.257,1311 0.122,1312 0.04,1313 4.257,1314 1.406,1315 2.848,1316 0.073,1317 0.02,1318 2.848,1319 0.781,1320 0.604,1321 38.483,1322 0.334,1323 12.597,1324 1.403,1325 68,1326 185.915,1327 74.383,1328 189.533,1329 264.95,1330 176,1331 80,1332 205.324,1333 85.662,1334 211,1335 306.9,1336 198,1337 6.09}
{0 CHEMBL7134,1 1.357,2 10.167,3 4.294,4 18.441,5 99.249,6 7.486,7 0.815,8 3.84,9 3.968,10 3.42,11 3.467,12 4.979,13 3.435,14 4.314,15 4.469,16 3.78,17 3.868,18 5.423,19 3.807,20 4.572,21 4.77,22 3.826,23 4.007,24 5.56,25 3.921,26 4.622,27 4.837,28 3.722,29 3.965,30 5.623,31 3.845,32 4.647,33 4.907,34 3.492,35 3.856,36 5.573,37 3.712,38 4.506,39 4.786,40 3.33,41 3.707,42 5.344,43 3.552,44 4.31,45 4.563,46 3.339,47 3.601,48 5.231,49 3.478,50 4.231,51 4.481,52 3.299,53 3.514,54 5.21,55 3.41,56 0.051,57 0.619,58 8.222,59 3.473,60 10.001,61 4.647,62 0.149,63 0.983,64 13.918,65 6.302,66 18.65,67 8.557,68 0.12,69 1.226,70 19.446,71 7.957,72 17.489,73 11.033,74 0.139,75 1.269,76 20.975,77 8.837,78 26.985,79 12.376,80 0.223,81 1.29,82 23.341,83 8.243,84 37.605,85 11.743,86 0.162,87 1.072,88 20.943,89 7.946,90 27.539,91 11.428,92 0.097,93 0.893,94 16.402,95 6.571,96 20.738,97 9.366,98 0.125,99 0.852,100 15.14,101 5.522,102 21.879,103 7.867,104 5,105 38,106 0.234,107 0.538,108 0.663,109 0.808,110 0.863,111 0.888,112 3.229,113 0.888,114 -5.81,115 -5.67,116 -5.28,119 47.6,121 2,139 10,140 5,143 1,144 1,147 1,157 2,158 2,159 2,166 18,169 1,170 3,172 3,173 3,175 1,178 24,180 1,182 3,187 1,189 22,191 1,193 5,195 1,196 1,197 1,198 5,200 2,201 16,204 5,205 1,207 3,212 4,215 14,218 4,221 2,226 3,229 12,231 3,234 4,239 3,241 11,243 3,246 4,251 3,254 9,256 3,260 4,265 4,268 6,270 4,273 738,274 16.447,275 16.447,276 16.447,277 16.447,278 16.447,279 13.824,280 12.033,281 9.705,282 16.625,283 13.359,284 13.359,285 13.359,286 13.359,287 13.359,288 9.448,289 12.359,290 4.622,291 13.658,292 4.036,293 2.267,294 1.541,295 0.703,296 0.381,297 0.238,298 3.932,301 1,302 1,303 542,304 2.449,307 225.434,311 192.001,314 1.347,315 14.477,317 1,318 0.75,319 0.83,320 1,321 0.6,323 1,324 1,325 0.74,326 50,327 244,328 4.615,329 3.244,330 6.767,331 4.142,332 3.166,333 4.573,335 11.061,336 3.096,337 4.406,338 2.967,339 6.183,340 3.922,341 2.922,342 4.336,344 9.226,345 2.921,346 3.744,347 2.58,348 5.371,349 3.362,350 2.394,351 3.19,353 6.908,354 2.334,355 3.621,356 2.397,357 5.227,358 3.206,359 2.237,360 3.042,362 6.549,363 2.15,364 3.449,365 2.078,366 5.06,367 2.961,368 2.01,369 2.861,371 5.821,372 1.911,373 3.143,374 1.965,375 4.775,376 2.747,377 1.788,378 2.427,380 5.049,381 1.707,382 3.118,383 1.618,384 4.414,385 2.618,386 1.618,387 2.371,389 4.365,390 1.618,391 2.899,392 1.43,393 3.681,394 2.413,395 1.414,396 2.09,398 3.021,399 1.413,400 2.669,401 1.261,402 3.622,403 2.208,404 1.225,405 1.74,407 2.772,408 1.202,409 2.211,410 0.848,411 3.316,412 1.786,413 0.789,414 1.086,415 1.845,416 0.786,417 1.853,418 0.609,419 3.136,420 1.567,421 0.571,422 0.723,423 1.372,424 0.569,425 1.285,426 0.065,427 2.729,428 0.836,429 -0.104,430 -0.137,431 -0.272,432 -0.097,433 1.16,434 -0.068,435 2.654,436 0.766,437 -0.221,438 -0.294,439 -0.579,440 -0.218,441 0.938,442 -0.309,443 2.398,444 0.482,445 -0.466,446 -0.598,448 -1.164,449 -0.437,450 0.882,451 -0.573,452 2.273,453 0.382,454 -0.618,455 -0.84,457 -1.517,458 -0.618,459 11.6,460 0.483,461 0.554,462 0.023,463 36,464 1.5,465 21,466 0.875,467 15,468 0.625,469 15.674,470 0.653,471 23.8,472 0.567,473 24.036,474 1.002,475 7.014,476 0.292,477 4.69,478 0.195,479 0.069,481 0.345,485 1.119,486 0.956,487 0.817,488 0.804,489 1.276,490 0.785,491 0.366,492 0.877,493 0.807,494 0.972,495 0.415,496 0.941,497 0.965,498 1.037,499 0.979,500 1.014,501 0.839,502 1.001,503 0.62,504 1.214,505 1.06,506 1.269,507 0.641,508 1.22,509 1.456,510 0.956,511 1.246,512 1.031,513 1.451,514 1.101,515 0.938,516 0.828,517 0.974,518 0.907,519 0.953,520 0.937,521 0.723,522 0.969,523 0.866,524 0.963,525 0.766,526 0.935,527 1.195,528 0.921,529 0.954,530 0.866,531 1.152,532 0.882,533 4.5,534 0.074,535 2.444,536 1.75,537 1.493,538 0.5,539 0.365,540 0.229,541 0.23,542 0.174,543 6847,544 16409,545 2.161,546 42.9,547 4,548 10,551 4,555 1.666,556 2.057,557 3.296,558 1.695,560 1,564 56.98,565 1.357,566 3.126,567 3.851,568 4.69,569 5.011,570 5.154,571 2.674,572 4.085,573 4.562,574 3.433,575 947.404,576 7.855,577 11099.1,579 1,581 1,582 226.477,583 1.281,584 4.532,585 0.167,586 0.005,587 0.064,588 0.045,589 0.045,590 0.02,591 0.017,592 0.01,593 0.01,594 0.009,595 0.392,596 0.17,597 0.88,598 0.49,599 114.061,600 -0.162,601 0.136,602 0.019,603 0.134,604 -0.262,605 0.102,606 0.424,607 0.148,608 0.056,609 -0.001,610 0.287,611 -0.008,612 -0.093,613 -0.04,614 -0.061,615 -0.041,616 -0.083,617 -0.047,618 0.177,619 -0.26,620 -0.122,621 -0.282,622 0.189,623 -0.241,624 -0.291,625 0.038,626 -0.237,627 -0.076,628 -0.297,629 -0.137,630 -0.057,631 0.088,632 0.051,633 0.102,634 -0.055,635 0.09,636 0.064,637 -0.05,638 0.123,639 0.048,640 0.093,641 0.083,642 -0.11,643 0.065,644 0.046,645 0.102,646 -0.098,647 0.092,648 1.452,649 2.07,650 0.833,651 17.313,652 0.99,653 1.117,654 4.575,655 20.933,656 0.699,657 3.332,658 3.664,659 3.951,660 4.248,661 4.477,662 4.489,663 4.533,664 4.644,665 4.779,666 4.745,667 5.928,668 0.661,669 314.42,670 3.332,671 4.875,672 5.733,673 6.619,674 7.489,675 8.378,676 9.253,677 10.142,678 11.018,679 11.908,680 9.5,684 2,690 2,694 4,695 10,696 2,700 4,702 22,711 2,718 42,719 22,720 3,721 27,723 45,724 20,725 18,726 6,727 10,729 4,730 6,739 2,741 18,742 2,754 1,757 18,758 4,759 4,760 4,764 4,769 0.5,776 1,781 4,785 2,802 2,810 24,811 2,816 2,836 11.667,837 7.4,838 5.194,839 2.45,840 4.558,841 1.607,842 1.064,843 3.696,844 12.064,845 3.664,846 4.357,847 5.024,848 5.679,849 6.279,850 6.549,851 6.885,852 7.281,853 7.686,854 7.683,855 0.857,856 39,857 8.814,859 3.765,860 7.597,861 17.056,863 14.277,865 2.097,866 50.333,869 1,870 164.795,871 120.293,872 99.365,877 120.293,878 164.795,879 99.365,881 5.069,882 160.557,883 33.571,884 16.234,885 4.227,886 164.795,888 164.795,889 219.658,893 164.795,897 9.112,898 176.975,899 33.571,901 164.795,902 99.365,903 120.293,906 164.795,907 25.53,908 94.762,910 99.365,911 164.795,912 99.365,913 120.293,915 0.583,916 0.344,917 0.198,918 0.107,919 20,920 8,921 0.067,922 3,923 2,924 1.2,925 3.684,926 199.934,927 0.2,928 20,929 110.039,933 14.766,934 6.007,935 2.886,936 4.242,937 99.365,938 21.005,939 8.383,943 3.122,945 65.794,946 384.454,947 38,956 41.592,957 46.9,958 0.252,959 0.58,960 0.714,961 0.87,962 0.929,963 0.956,964 4.879,965 1.414,966 5.714,967 4.365,968 4.344,969 5.043,971 6.526,972 4.303,973 6.114,974 1.225,975 7.268,976 3.021,977 3.892,978 4.913,980 7.416,981 3.821,982 7.437,983 0.789,984 8.921,985 2.772,986 5.932,987 7.38,989 10.537,990 5.857,991 8.798,992 0.571,993 10.636,994 1.845,995 6.293,996 8.087,998 12.29,999 6.196,1000 10.191,1001 -0.104,1002 12.391,1003 1.372,1004 7.803,1005 10.013,1007 14.927,1008 7.7,1009 11.608,1010 -0.221,1011 14.175,1012 -0.272,1013 8.566,1014 11.137,1016 17.051,1017 8.446,1018 13.044,1019 -0.466,1020 15.981,1021 -0.579,1022 9.85,1023 12.826,1025 19.522,1026 9.72,1027 3.166,1028 -0.618,1029 17.805,1030 -1.164,1031 10.811,1032 14.154,1034 21.802,1035 10.663,1036 2.922,1037 11.061,1038 19.642,1039 -1.517,1040 12,1041 15.738,1043 24.217,1044 11.841,1045 2.394,1046 9.226,1047 21.491,1048 4.573,1049 13.054,1050 17.162,1052 26.563,1053 12.876,1054 2.237,1055 6.908,1056 23.35,1057 4.336,1058 14.207,1059 18.7,1061 28.961,1062 14.013,1063 2.01,1064 6.549,1065 25.216,1066 3.19,1067 15.304,1068 20.167,1070 31.334,1071 15.091,1072 1.788,1073 5.821,1074 27.088,1075 3.042,1076 16.444,1077 21.686,1079 33.729,1080 16.212,1081 1.618,1082 5.049,1083 28.966,1084 2.861,1085 17.562,1086 23.174,1088 36.115,1089 17.31,1090 6380,1091 9988,1092 18.493,1093 29.353,1094 40.494,1095 40.233,1096 41.176,1097 40.354,1098 40.268,1099 56.878,1101 115.977,1102 39.413,1103 5.444,1104 5.244,1105 6.454,1106 5.214,1107 5.166,1108 7.573,1110 17.969,1111 5.096,1112 8.716,1113 1.5,1114 1.49,1115 1.525,1116 1.495,1117 1.491,1118 2.107,1120 4.295,1121 1.46,1122 4.115,1123 4.142,1124 4.071,1125 4.066,1126 5.306,1127 4.062,1128 4.04,1129 4.068,1130 4.004,1131 3.971,1132 4.981,1133 3.977,1134 3.595,1135 3.649,1136 3.498,1137 3.498,1138 4.898,1139 3.49,1140 3.452,1141 3.514,1142 3.372,1143 3.276,1144 4.692,1145 3.297,1146 3.249,1147 3.313,1148 3.122,1149 3.135,1150 4.335,1151 3.122,1152 3.093,1153 3.201,1154 2.965,1155 2.952,1156 4.17,1157 2.942,1158 3.015,1159 3.077,1160 2.875,1161 2.799,1162 3.914,1163 2.813,1164 2.789,1165 2.877,1166 2.652,1167 2.609,1168 3.828,1169 2.612,1170 0.171,1171 0.12,1172 0.251,1173 0.153,1174 0.117,1175 4.615,1176 0.169,1177 3.244,1179 6.767,1180 0.41,1181 4.142,1182 0.115,1183 3.166,1184 4.573,1186 11.061,1187 3.096,1188 2.087,1189 2.067,1190 2.176,1191 2.152,1192 1.363,1193 2.158,1194 2.018,1195 1.993,1196 2.087,1197 2.109,1198 1.24,1199 2.105,1200 1.597,1201 1.553,1202 1.781,1203 1.74,1204 0.967,1205 1.755,1206 1.395,1207 1.334,1208 1.551,1209 1.604,1210 0.624,1211 1.602,1212 1.263,1213 1.206,1214 1.497,1215 1.427,1216 0.426,1217 1.454,1218 1.063,1219 1.013,1220 1.289,1221 1.361,1222 0.365,1223 1.353,1224 0.978,1225 0.885,1226 1.261,1227 1.185,1228 0.229,1229 1.219,1230 0.772,1231 0.695,1232 1.06,1233 1.022,1234 0.019,1235 1.035,1236 4.007,1238 5.333,1240 6.868,1242 8.504,1244 10.191,1250 11.761,1252 1.82,1262 27.773,1263 56.98,1264 131.284,1265 161.748,1266 196.968,1267 210.477,1268 216.477,1269 28.093,1270 7.506,1271 77.82,1272 77.82,1273 24,1274 12.44,1275 4.524,1276 3.585,1277 33.979,1278 87,1279 76,1280 0.193,1281 170.947,1282 279.12,1283 408.87,1284 19743,1286 16.518,1287 0.688,1288 0.552,1289 16.518,1290 13.237,1291 11.704,1292 0.433,1293 0.296,1294 7.939,1295 11.502,1296 7.755,1297 6.434,1298 11.704,1299 7.988,1300 10.643,1301 0.28,1302 0.157,1303 10.643,1304 5.96,1305 8.969,1306 0.176,1307 0.085,1308 8.969,1309 4.352,1310 8.04,1311 0.117,1312 0.046,1313 8.04,1314 3.185,1315 6.481,1316 0.074,1317 0.026,1318 6.481,1319 2.23,1320 0.303,1321 71.615,1322 0.233,1323 23.409,1324 0.528,1325 130,1326 303.915,1327 136.383,1328 313.065,1329 445.64,1330 294,1331 154,1332 345.324,1333 159.662,1334 357.14,1335 521.84,1336 338,1337 7.7}
{0 CHEMBL7139,1 1.599,2 9.348,3 1.459,4 2.13,5 91.196,6 7.169,7 0.48,8 3.894,9 4.029,10 3.423,11 3.327,12 5.013,13 3.331,14 4.423,15 4.618,16 3.76,17 3.703,18 5.478,19 3.686,20 4.582,21 4.766,22 3.842,23 3.881,24 5.576,25 3.837,26 4.758,27 4.987,28 3.77,29 3.926,30 5.723,31 3.825,32 4.786,33 5.045,34 3.633,35 3.881,36 5.664,37 3.75,38 4.744,39 5.026,40 3.509,41 3.754,42 5.588,43 3.631,44 4.586,45 4.843,46 3.43,47 3.616,48 5.449,49 3.519,50 4.409,51 4.659,52 3.345,53 3.496,54 5.408,55 3.383,56 0.059,57 0.667,58 9.885,59 3.479,60 11.004,61 5.044,62 0.345,63 1.001,64 18.645,65 5.88,66 28.915,67 8.4,68 0.213,69 1.203,70 21.05,71 6.892,72 19.954,73 10.288,74 0.449,75 1.289,76 26.485,77 8.646,78 38.986,79 12.809,80 0.467,81 1.243,82 27.95,83 8.386,84 40.87,85 13.285,86 0.441,87 1.091,88 27.812,89 7.795,90 42.79,91 12.231,92 0.43,93 0.913,94 23.879,95 6.898,96 32.875,97 10.23,98 0.333,99 0.831,100 19.146,101 5.865,102 32.591,103 9.105,104 21,105 35,106 0.281,107 0.62,108 0.765,109 0.816,110 0.848,111 0.872,112 3.189,113 0.893,114 -3,115 -3,116 -2.89,119 36.4,121 1,124 2,125 3,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 10,172 3,173 3,175 1,178 3,180 1,182 5,189 2,192 3,193 2,195 2,196 2,197 1,198 3,200 2,201 2,204 3,205 1,206 2,207 1,215 2,221 4,223 1,224 1,226 1,229 2,231 1,234 4,239 1,241 2,243 1,245 2,246 2,248 1,249 1,251 2,256 2,259 2,260 2,262 1,263 1,265 2,270 2,273 677,274 15.566,275 15.566,276 15.566,277 15.566,278 15.566,279 14.013,280 24.229,281 9.008,282 16.194,283 12.214,284 12.214,285 12.214,286 12.214,287 12.214,288 9.753,289 33.561,290 4.128,291 13.046,292 3.86,293 1.928,294 1.097,295 0.807,296 0.625,297 0.489,298 3.869,300 1,301 1,302 1,303 455,304 2.646,307 184.997,311 95.627,314 1.376,315 20.11,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 50.5,327 215,328 4.419,329 3.343,330 6.504,331 4.047,332 3.086,333 4.092,334 0.995,335 10.184,336 2.968,337 4.272,338 3.18,339 6.195,340 3.878,341 2.913,342 3.913,343 0.86,344 9.271,345 2.809,346 3.594,347 2.728,348 5.311,349 3.303,350 2.387,351 2.876,352 0.86,353 6.877,354 2.186,355 3.515,356 2.626,357 5.211,358 3.136,359 2.217,360 2.818,361 0.359,362 6.446,363 2.028,364 3.326,365 2.237,366 5.062,367 2.963,368 2.035,369 2.563,371 5.803,372 1.89,373 3.209,374 2.224,375 4.973,376 2.892,377 1.955,378 2.319,380 5.756,381 1.822,382 2.803,383 1.843,384 4.311,385 2.432,386 1.467,387 1.898,389 3.994,390 1.411,391 2.091,392 1.34,393 3.709,394 1.969,395 1.006,396 1.066,398 2.565,399 0.966,400 1.942,401 1.241,402 3.135,403 1.653,404 0.776,405 0.877,407 1.392,408 0.673,409 1.504,410 0.916,411 2.942,412 1.258,413 0.371,414 0.411,415 0.682,416 0.324,417 1.376,418 0.508,419 2.705,420 1.128,421 0.218,422 0.243,423 0.395,424 0.199,425 1.032,426 0.131,427 2.593,428 0.724,429 -0.209,430 -0.244,431 -0.46,432 -0.193,433 0.855,434 -0.18,435 2.497,436 0.471,437 -0.447,438 -0.551,439 -1.127,440 -0.408,441 0.66,442 -0.271,443 2.27,444 0.3,445 -0.614,446 -0.721,448 -1.332,449 -0.553,450 0.486,451 -0.43,452 2.168,453 0.132,454 -0.814,455 -0.864,457 -2.136,458 -0.757,459 10.667,460 0.464,461 0.571,462 0.025,463 29.75,464 1.293,465 14,466 0.609,467 15.75,468 0.685,469 17.755,470 0.772,471 25.933,472 0.589,473 21.14,474 0.919,475 6.106,476 0.265,477 4.995,478 0.217,479 0.169,481 0.366,485 1.028,486 1.488,487 0.848,488 1.211,489 1.16,490 1.016,491 1.223,492 0.853,493 0.849,494 0.784,495 0.685,496 0.764,497 1.081,498 1.354,499 1.057,500 1.224,501 0.903,502 1.144,503 0.848,504 1.059,505 1.103,506 1.202,507 0.883,508 1.208,509 0.737,510 1.099,511 1.068,512 1.143,513 1.035,514 1.154,515 1.059,516 0.791,517 1.001,518 0.895,519 1.068,520 0.924,521 1.48,522 0.844,523 1.007,524 0.836,525 0.954,526 0.863,527 0.731,528 1.139,529 0.973,530 1.178,531 0.841,532 1.134,533 5.5,534 0.091,535 2.444,536 1.625,537 1.711,538 0.59,539 0.485,540 0.314,541 0.271,542 0.169,543 5325,544 14579,545 2.041,546 47.7,548 15,551 4,552 2,555 1.659,556 1.89,557 3.199,558 1.865,559 1,560 1,562 1,564 70.367,565 1.599,566 3.532,567 4.363,568 4.652,569 4.834,570 4.971,571 2.653,572 4.089,573 4.497,574 3.328,575 841.895,576 7.749,577 9484.76,579 1,581 1,582 240.215,583 1.478,584 4.443,585 0.22,586 0.01,587 0.07,588 0.044,589 0.053,590 0.022,591 0.02,592 0.014,593 0.014,594 0.011,595 0.477,596 0.17,597 1,598 0.942,599 106.934,600 -0.11,601 -0.192,602 0.046,603 -0.079,604 -0.167,605 0.007,606 -0.058,607 0.267,608 0.121,609 0.245,610 0.175,611 0.212,612 -0.166,613 -0.188,614 -0.137,615 -0.151,616 -0.106,617 -0.138,618 0.045,619 -0.009,620 -0.159,621 -0.181,622 -0.01,623 -0.213,624 0.061,625 -0.118,626 -0.116,627 -0.151,628 -0.133,629 -0.159,630 -0.096,631 0.11,632 -0.007,633 0.049,634 -0.111,635 0.047,636 -0.205,637 0.015,638 0.014,639 0.141,640 -0.063,641 0.114,642 0.178,643 -0.18,644 -0.008,645 -0.177,646 0.131,647 -0.137,648 1.427,649 1.997,650 0.696,651 17.285,652 1.005,653 1.142,654 1.767,655 3.121,656 0.637,657 3.258,658 3.584,659 3.85,660 4.111,661 4.357,662 4.394,663 4.443,664 4.511,665 4.673,666 4.644,667 5.545,668 0.608,669 315.42,670 3.258,671 4.796,672 5.645,673 6.526,674 7.393,675 8.278,676 9.15,677 10.035,678 10.91,679 11.795,680 11.4,683 1,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 2,718 44,719 12,720 1,721 25,723 46,724 16,725 10,726 3,727 3,729 3,730 4,736 1,739 1,741 10,742 6,753 1,754 1,757 21,758 7,759 4,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,799 1,802 2,806 2,810 23,811 2,816 4,818 2,821 1,829 4.5,834 2,836 12.167,837 8.35,838 5.167,839 2.34,840 2.336,841 1.332,842 0.977,843 4.661,844 9.379,845 3.466,846 4.06,847 4.6,848 5.124,849 5.618,850 5.71,851 5.779,852 5.981,853 6.356,854 6.598,855 1,856 37,857 8.444,859 3.483,860 7.703,861 16.155,863 12.934,865 2.203,866 50.667,870 200.109,871 82.888,872 102.49,874 22,877 82.888,878 222.109,879 102.49,880 21.766,881 8.852,882 94.223,883 33.571,884 44.739,885 4.227,886 200.109,888 200.109,889 185.378,890 22,893 200.109,894 22,897 16.632,898 135.175,899 33.571,901 200.109,902 124.49,903 82.888,906 200.109,907 32.693,908 53.319,910 121.365,911 200.109,912 124.49,913 82.888,915 0.579,916 0.347,917 0.19,918 0.106,919 17,920 8,921 0.087,922 4,923 1,924 1.125,925 3.453,926 183.419,927 0.125,928 16,929 104.042,933 15.992,934 6.703,935 3.392,937 124.49,938 5.809,939 8.355,943 5.354,945 65.794,946 407.487,947 31,956 44.232,957 50.232,958 0.293,959 0.647,960 0.799,961 0.852,962 0.885,963 0.91,964 4.71,965 1.006,966 5.638,967 3.994,968 4.263,969 4.745,970 1.793,971 6.447,972 4.145,973 5.912,974 0.776,975 7.198,976 2.565,977 3.892,978 4.62,979 0.325,980 7.322,981 3.728,982 7.223,983 0.371,984 8.851,985 1.392,986 5.861,987 6.922,988 1.535,989 10.395,990 5.652,991 8.565,992 0.218,993 10.556,994 0.682,995 6.256,996 7.556,997 0.504,998 12.048,999 6.007,1000 9.936,1001 -0.209,1002 12.294,1003 0.395,1004 7.716,1005 9.378,1006 1.342,1007 14.648,1008 7.434,1009 11.326,1010 -0.447,1011 14.056,1012 -0.46,1013 8.477,1014 10.373,1015 0.585,1016 16.653,1017 8.16,1018 12.731,1019 -0.614,1020 15.834,1021 -1.127,1022 9.728,1023 11.987,1024 1.189,1025 19.074,1026 9.381,1027 3.086,1028 -0.814,1029 17.627,1030 -1.332,1031 10.671,1032 13.169,1033 0.622,1034 21.242,1035 10.29,1036 2.913,1037 10.184,1038 19.43,1039 -2.136,1040 11.834,1041 14.68,1042 1.066,1043 23.591,1044 11.422,1045 2.387,1046 9.271,1047 21.243,1048 4.092,1049 12.864,1050 15.961,1051 0.639,1052 25.833,1053 12.418,1054 2.217,1055 6.877,1056 23.064,1057 3.913,1058 13.993,1059 17.419,1060 0.969,1061 28.154,1062 13.514,1063 2.035,1064 6.446,1065 24.891,1066 2.876,1067 15.065,1068 18.751,1069 0.646,1070 30.429,1071 14.551,1072 1.955,1073 5.803,1074 26.724,1075 2.818,1076 16.181,1077 20.181,1078 0.891,1079 32.739,1080 15.632,1081 1.467,1082 5.756,1083 28.561,1084 2.563,1085 17.273,1086 21.542,1087 0.648,1088 35.031,1089 16.687,1090 5258,1091 8788,1092 16.414,1093 28.029,1094 36.824,1095 37.789,1096 38.705,1097 36.815,1098 36.865,1099 46.151,1100 6.147,1101 106.731,1102 34.551,1103 5.364,1104 5.343,1105 6.072,1106 5.12,1107 5.086,1108 7.092,1109 1.855,1110 17.078,1111 4.968,1112 12.149,1113 1.473,1114 1.512,1115 1.548,1116 1.473,1117 1.475,1118 1.846,1119 0.246,1120 4.269,1121 1.382,1122 4.008,1123 4.054,1124 3.956,1125 3.888,1126 5.283,1127 3.898,1128 3.893,1129 3.918,1130 3.85,1131 3.78,1132 4.978,1133 3.793,1134 3.503,1135 3.585,1136 3.403,1137 3.263,1138 4.914,1139 3.288,1140 3.322,1141 3.371,1142 3.177,1143 3.047,1144 4.602,1145 3.063,1146 3.191,1147 3.279,1148 3.027,1149 2.979,1150 4.472,1151 2.978,1152 3.146,1153 3.243,1154 2.961,1155 2.876,1156 4.179,1157 2.883,1158 3.074,1159 3.171,1160 2.872,1161 2.853,1162 4.047,1163 2.844,1164 2.851,1165 2.97,1166 2.625,1167 2.593,1168 3.765,1169 2.587,1170 0.177,1171 0.134,1172 0.26,1173 0.162,1174 0.123,1175 4.419,1176 0.164,1177 3.343,1178 0.04,1179 6.504,1180 0.407,1181 4.047,1182 0.119,1183 3.086,1184 4.092,1185 0.995,1186 10.184,1187 2.968,1188 1.936,1189 1.905,1190 2.049,1191 2.091,1192 1.321,1193 2.079,1194 1.852,1195 1.82,1196 1.952,1197 1.982,1198 1.116,1199 1.972,1200 1.42,1201 1.345,1202 1.607,1203 1.696,1204 0.752,1205 1.677,1206 1.243,1207 1.184,1208 1.589,1209 1.568,1210 0.681,1211 1.572,1212 1.176,1213 1.097,1214 1.543,1215 1.454,1216 0.584,1217 1.487,1218 1.123,1219 1.03,1220 1.459,1221 1.411,1222 0.551,1223 1.422,1224 1.036,1225 0.951,1226 1.319,1227 1.327,1228 0.361,1229 1.344,1230 0.819,1231 0.706,1232 1.2,1233 1.153,1234 0.114,1235 1.189,1236 3.932,1238 5.252,1240 6.779,1242 8.402,1244 10.074,1246 3.33,1250 11.662,1252 3.118,1254 10.751,1257 2.287,1262 26.751,1263 70.367,1264 155.402,1265 191.95,1266 204.705,1267 212.705,1268 218.705,1269 31.69,1270 7.043,1271 99.52,1272 99.52,1273 18,1274 12.329,1275 3.7,1276 2.807,1277 36.798,1278 77,1279 70,1280 0.239,1281 166.467,1282 283.22,1283 397.94,1284 9982,1286 16.397,1287 0.713,1288 0.581,1289 16.397,1290 13.373,1291 11.101,1292 0.444,1293 0.298,1294 7.28,1295 10.489,1296 7.049,1297 5.867,1298 11.101,1299 7.444,1300 9.908,1301 0.283,1302 0.158,1303 9.908,1304 5.531,1305 8.353,1306 0.182,1307 0.088,1308 8.353,1309 4.07,1310 7.034,1311 0.117,1312 0.048,1313 7.034,1314 2.897,1315 5.668,1316 0.074,1317 0.027,1318 5.668,1319 2.049,1320 0.37,1321 70.842,1322 0.247,1323 22.347,1324 0.672,1325 120,1326 359.031,1327 134.222,1328 342.282,1329 469.35,1330 322,1331 141,1332 345.528,1333 155.141,1334 352.623,1335 510.95,1336 327,1337 5.854}
{0 CHEMBL7170,1 1.497,2 7.667,3 1.519,4 2.307,5 72.481,6 6.536,7 0.3,8 3.739,9 3.886,10 3.195,11 3.207,12 4.712,13 3.178,14 4.34,15 4.535,16 3.568,17 3.653,18 5.269,19 3.58,20 4.637,21 4.891,22 3.501,23 3.78,24 5.414,25 3.654,26 4.623,27 4.901,28 3.415,29 3.718,30 5.426,31 3.567,32 4.596,33 4.883,34 3.257,35 3.611,36 5.388,37 3.459,38 4.489,39 4.796,40 2.991,41 3.457,42 5.213,43 3.268,44 4.281,45 4.617,46 2.881,47 3.174,48 5.032,49 2.983,50 3.819,51 4.108,52 2.616,53 2.758,54 4.724,55 2.657,56 0.048,57 0.58,58 9.414,59 3.328,60 7.467,61 5.041,62 0.206,63 0.92,64 17.626,65 6.467,66 21.423,67 9.286,68 0.26,69 1.078,70 24.035,71 7.43,72 22.09,73 11.772,74 0.24,75 1.029,76 23.57,77 7.416,78 28.571,79 11.82,80 0.295,81 0.935,82 23.373,83 6.379,84 29.111,85 10.63,86 0.253,87 0.793,88 20.889,89 5.846,90 26.526,91 9.71,92 0.311,93 0.593,94 17.025,95 4.802,96 25.57,97 8.001,98 0.15,99 0.423,100 10.835,101 2.179,102 14.827,103 4.223,104 5,105 28,106 0.276,107 0.55,108 0.763,109 0.88,110 0.88,111 0.88,112 2.961,113 1.012,114 -3.48,115 -3.46,116 -3.3,119 34.2,121 6,122 1,125 1,127 1,140 1,143 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 6,172 3,173 3,175 1,178 7,180 1,182 4,187 1,189 6,191 1,193 5,195 1,196 1,197 1,198 4,200 2,201 3,204 4,205 1,207 5,212 4,215 4,218 4,226 1,229 2,231 1,233 2,234 2,236 1,237 1,239 2,243 2,246 2,251 1,256 1,262 1,263 1,265 1,270 1,273 302,274 12.171,275 12.171,276 12.171,277 12.171,278 12.171,279 11.342,280 15.593,281 7.207,282 12.487,283 9.905,284 9.905,285 9.905,286 9.905,287 9.905,288 8.643,289 16.118,290 3.474,291 10.423,292 3.751,293 2.263,294 1.105,295 0.474,296 0.474,297 0.474,298 3.638,300 1,301 1,302 1,303 301,304 2,306 44.638,307 81.928,311 70.058,314 1.37,315 16.301,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 39,327 138,328 4.417,329 3.271,330 6.503,331 4.052,332 3.081,333 4.091,334 0.86,335 10.179,336 2.995,337 3.673,338 2.927,339 5.564,340 3.585,341 2.631,342 2.846,344 7.638,345 2.51,346 3.473,347 2.419,348 5.102,349 3.202,350 2.261,351 2.617,353 6.262,354 2.123,355 3.313,356 2.221,357 5.058,358 2.962,359 2.023,360 2.546,362 5.797,363 1.893,364 3.09,365 2.092,366 4.916,367 2.88,368 1.926,369 2.121,371 5.613,372 1.829,373 2.174,374 1.408,375 3.71,376 2.133,377 1.166,378 1.172,380 2.57,381 1.121,382 2.087,383 1.294,384 3.436,385 1.979,386 1.005,387 1.063,389 2.564,390 0.977,391 1.618,392 0.963,393 3,394 1.516,395 0.618,396 0.618,398 1.372,399 0.548,400 1.342,401 0.347,402 2.858,403 1.148,404 0.191,405 0.209,407 0.489,408 0.182,409 0.901,410 -0.218,411 2.644,412 0.59,413 -0.356,414 -0.402,415 -0.983,416 -0.335,417 0.695,418 -0.317,419 2.494,420 0.459,421 -0.475,422 -0.567,423 -1.224,424 -0.442,425 0.265,426 -0.567,427 2.197,428 0.148,429 -0.815,430 -0.864,431 -2.187,432 -0.784,433 0.165,434 -0.79,435 1.666,436 0.008,437 -0.957,438 -1.052,439 -2.588,440 -0.927,441 -0.23,442 -1.073,443 1.457,444 -0.49,445 -1.46,446 -1.523,448 -3.445,449 -1.361,450 -0.339,451 -1.383,452 1.192,453 -0.594,454 -1.519,455 -1.618,457 -4.198,458 -1.395,459 8.433,460 0.469,461 0.452,462 0.025,463 19,464 1.056,465 7,466 0.389,467 12,468 0.667,469 16.387,470 0.91,471 20.967,472 0.552,473 10.178,474 0.565,475 3.076,476 0.171,477 5.644,478 0.314,479 0.095,481 0.356,485 1.025,486 1.377,487 0.94,488 1.185,489 1.177,490 1.059,491 0.882,492 1.107,493 0.934,494 1.205,495 0.511,496 1.115,497 1.156,498 1.122,499 1.072,500 1.079,501 0.854,502 1.077,503 0.699,504 1.09,505 0.969,506 1.138,507 0.716,508 1.098,509 1.234,510 0.99,511 1.117,512 0.999,513 1.285,514 1.034,515 1.036,516 0.907,517 1.073,518 0.988,519 1.134,520 1.024,521 0.408,522 0.756,523 0.641,524 0.764,525 0.486,526 0.74,527 1.535,528 1.193,529 1.094,530 0.931,531 1.631,532 0.938,533 4,534 0.02,535 1.556,536 1.285,537 1.053,538 0.285,539 0.344,540 0.127,541 0.11,542 0.047,543 2875,544 6314,545 2.12,546 52.6,547 5,548 3,551 4,552 2,553 6,555 1.585,556 2,557 2.945,558 2.05,560 1,561 1,562 1,564 56.877,565 1.497,566 2.985,567 4.143,568 4.774,569 4.774,570 4.774,571 2.558,572 2.975,573 4.142,574 3.075,575 470.419,576 7.022,577 4346.63,578 1,579 1,581 1,582 199.421,583 1.352,584 4.109,585 0.2,586 0.01,587 0.056,588 0.051,589 0.048,590 0.016,591 0.026,592 0.011,593 0.012,594 0.012,595 0.441,596 0.5,597 1,598 0.584,599 75.813,600 -0.105,601 -0.001,602 0.043,603 0.049,604 -0.124,605 0.072,606 0.149,607 0.071,608 0.043,609 -0.046,610 0.268,611 -0.031,612 -0.153,613 -0.103,614 -0.102,615 -0.043,616 -0.069,617 -0.067,618 0.054,619 -0.099,620 -0.025,621 -0.126,622 0.103,623 -0.094,624 -0.179,625 -0.043,626 -0.136,627 -0.057,628 -0.197,629 -0.084,630 -0.124,631 -0.01,632 -0.112,633 -0.061,634 -0.17,635 -0.077,636 0.425,637 0.03,638 0.311,639 0.132,640 0.307,641 0.197,642 -0.211,643 -0.249,644 -0.062,645 -0.093,646 -0.262,647 -0.06,648 1.371,649 2.211,650 0.833,651 11.753,652 0.995,653 1.145,654 2.252,655 5.069,656 0.62,657 3.045,658 3.367,659 3.611,660 3.892,661 4.043,662 4.078,663 4.174,664 4.22,665 4.317,666 4.143,667 4.655,668 0.579,669 248.37,670 3.045,671 4.575,672 5.416,673 6.293,674 7.151,675 8.031,676 8.895,677 9.777,678 10.645,679 11.527,680 10.5,684 2,690 2,696 2,700 4,702 6,711 2,718 38,719 6,721 20,723 40,724 13,725 4,729 3,730 4,736 6,737 1,739 7,741 4,742 9,743 1,754 1,757 20,758 5,759 4,760 5,764 4,769 0.667,770 1,773 1,776 1,780 1,781 2,785 1,801 1,802 2,810 18,811 2,816 7,818 1,820 2,829 2.6,833 1,836 9,837 6.4,838 3.889,839 2.464,840 1.231,841 1.189,842 0.982,843 3.29,844 7.732,845 3.178,846 3.701,847 4.163,848 4.66,849 5.077,850 5.183,851 5.243,852 5.413,853 5.659,854 5.498,855 1,856 25,857 6.68,859 2.867,860 7.574,861 13.235,863 11.463,865 2.074,866 37.333,867 0.003,870 188.338,871 29.969,872 99.365,874 11,877 29.969,878 199.338,879 99.365,881 19.8,882 65.794,883 44.571,884 5.942,885 4.227,886 188.338,888 188.338,889 129.334,890 11,893 117.711,894 70.627,895 11,897 24.455,898 71.308,899 33.571,901 188.338,902 110.365,903 29.969,906 188.338,907 29.969,910 110.365,911 188.338,912 110.365,913 29.969,915 0.583,916 0.333,917 0.187,918 0.093,919 15,920 6,921 0.05,922 2,923 1,924 1.133,925 3.102,926 130.494,927 0.133,928 15,929 75.059,933 12.031,934 4.923,935 2.562,937 110.365,939 8.363,943 3.014,945 65.794,946 328.672,947 23,956 37.803,957 43.524,958 0.285,959 0.569,960 0.789,961 0.91,962 0.91,963 0.91,964 4.437,965 0.618,966 5.398,967 2.564,968 4.043,969 4.382,970 0.908,971 6.184,972 3.951,973 5.596,974 0.191,975 6.936,976 1.372,977 3.611,978 4.205,980 6.986,981 3.479,982 6.883,983 -0.356,984 8.57,985 0.489,986 5.609,987 6.445,988 0.739,989 10.084,990 5.443,991 8.2,992 -0.475,993 10.258,994 -0.983,995 5.969,996 7.08,998 11.708,999 5.766,1000 9.55,1001 -0.815,1002 11.983,1003 -1.224,1004 7.439,1005 8.854,1006 0.593,1007 14.32,1008 7.213,1009 10.923,1010 -0.957,1011 13.734,1012 -2.187,1013 8.181,1014 9.878,1016 16.323,1017 7.923,1018 12.315,1019 -1.46,1020 15.505,1021 -2.588,1022 9.434,1023 11.465,1024 0.469,1025 18.756,1026 9.156,1027 3.081,1028 -1.519,1029 17.291,1030 -3.445,1031 10.367,1032 12.681,1034 20.934,1035 10.061,1036 2.631,1037 10.179,1038 19.092,1039 -4.198,1040 11.531,1041 14.183,1042 0.366,1043 23.298,1044 11.204,1045 2.261,1046 7.638,1047 20.903,1048 4.091,1049 12.558,1050 15.494,1052 25.555,1053 12.204,1054 2.023,1055 6.262,1056 22.724,1057 2.846,1058 13.689,1059 16.952,1060 0.283,1061 27.892,1062 13.312,1063 1.926,1064 5.797,1065 24.554,1066 2.617,1067 14.762,1068 18.311,1070 30.183,1071 14.359,1072 1.166,1073 5.613,1074 26.39,1075 2.546,1076 15.881,1077 19.747,1078 0.217,1079 32.509,1080 15.454,1081 1.005,1082 2.57,1083 28.233,1084 2.121,1085 16.977,1086 21.13,1088 34.816,1089 16.523,1090 2784,1091 4208,1092 13.523,1093 23.569,1094 29.678,1095 30.394,1096 29.894,1097 29.812,1098 29.807,1099 34.566,1100 1.72,1101 84.967,1102 28.357,1103 5.388,1104 5.271,1105 6.117,1106 5.124,1107 5.081,1108 7.091,1109 1.72,1110 17.073,1111 4.995,1112 7.005,1113 1.484,1114 1.52,1115 1.495,1116 1.491,1117 1.49,1118 1.728,1119 0.086,1120 4.248,1121 1.418,1122 4.007,1123 4.053,1124 3.944,1125 3.891,1126 5.282,1127 3.895,1128 3.805,1129 3.851,1130 3.695,1131 3.64,1132 4.978,1133 3.645,1134 3.526,1135 3.599,1136 3.402,1137 3.34,1138 4.638,1139 3.349,1140 3.188,1141 3.279,1142 3.027,1143 3.013,1144 4.454,1145 2.998,1146 3.101,1147 3.208,1148 2.935,1149 2.857,1150 4.01,1151 2.868,1152 2.861,1153 2.983,1154 2.606,1155 2.6,1156 3.731,1157 2.588,1158 2.767,1159 2.879,1160 2.56,1161 2.487,1162 3.483,1163 2.498,1164 2.669,1165 2.769,1166 2.418,1167 2.371,1168 3.398,1169 2.363,1170 0.221,1171 0.164,1172 0.325,1173 0.203,1174 0.154,1175 4.417,1176 0.205,1177 3.271,1178 0.043,1179 6.503,1180 0.509,1181 4.052,1182 0.15,1183 3.081,1184 4.091,1185 0.86,1186 10.179,1187 2.995,1188 1.951,1189 1.91,1190 2.098,1191 2.089,1192 1.482,1193 2.091,1194 1.643,1195 1.588,1196 1.865,1197 1.826,1198 1.221,1199 1.834,1200 1.493,1201 1.429,1202 1.708,1203 1.711,1204 0.961,1205 1.728,1206 1.311,1207 1.248,1208 1.564,1209 1.578,1210 0.752,1211 1.578,1212 1.122,1213 1.043,1214 1.422,1215 1.41,1216 0.634,1217 1.411,1218 0.927,1219 0.827,1220 1.257,1221 1.263,1222 0.32,1223 1.286,1224 0.761,1225 0.635,1226 1.161,1227 1.105,1228 0.082,1229 1.132,1230 0.573,1231 0.45,1232 1.014,1233 0.91,1235 0.955,1236 3.714,1238 5.03,1239 2.398,1240 6.535,1241 4.443,1242 8.137,1243 6.26,1244 9.793,1250 11.577,1252 7.569,1254 5.711,1256 1.1,1262 22.015,1263 56.877,1264 113.421,1265 157.421,1266 181.421,1267 181.421,1268 181.421,1269 24.305,1270 6.501,1271 87.05,1272 87.05,1273 17,1274 12.064,1275 2.807,1276 2,1277 25.785,1278 52,1279 40,1280 0.261,1281 135.682,1282 230.35,1283 322.824,1284 4900,1286 12.535,1287 0.696,1288 0.587,1289 12.535,1290 10.562,1291 8.72,1292 0.436,1293 0.337,1294 6.66,1295 8.382,1296 6.553,1297 5.365,1298 8.72,1299 6.745,1300 8.043,1301 0.287,1302 0.192,1303 8.043,1304 5.372,1305 6.508,1306 0.181,1307 0.112,1308 6.508,1309 4.044,1310 5.703,1311 0.119,1312 0.065,1313 5.703,1314 3.133,1315 4.147,1316 0.074,1317 0.038,1318 4.147,1319 2.133,1320 0.398,1321 54.624,1322 0.272,1323 17.983,1324 0.745,1325 96,1326 235.65,1327 105.926,1328 227.287,1329 314.66,1330 214,1331 112,1332 235.869,1333 120.984,1334 236.514,1335 347.08,1336 224,1337 6.569}
{0 CHEMBL7176,1 1.658,2 11.593,3 3.347,4 11.205,5 107.52,6 8.787,7 0.733,8 3.886,9 4.003,10 3.584,11 3.499,12 5.113,13 3.489,14 4.343,15 4.477,16 3.985,17 3.897,18 5.588,19 3.863,20 4.607,21 4.773,22 4.115,23 4.038,24 5.798,25 3.989,26 4.647,27 4.835,28 4.106,29 3.981,30 5.905,31 3.905,32 4.591,33 4.796,34 3.861,35 3.817,36 5.858,37 3.735,38 4.447,39 4.681,40 3.632,41 3.641,42 5.589,43 3.553,44 4.272,45 4.474,46 3.644,47 3.563,48 5.599,49 3.492,50 4.188,51 4.376,52 3.521,53 3.514,54 5.41,55 3.45,56 0.081,57 0.655,58 6.449,59 3.217,60 13.557,61 3.759,62 0.195,63 1.012,64 11.326,65 5.83,66 23.308,67 7.289,68 0.293,69 1.236,70 18.277,71 7.329,72 39.324,73 8.691,74 0.343,75 1.211,76 23.979,77 8.532,78 45.027,79 10.816,80 0.483,81 1.133,82 24.542,83 7.808,84 67.85,85 9.263,86 0.343,87 0.952,88 22.212,89 7.05,90 51.014,91 8.901,92 0.337,93 0.797,94 17.664,95 6.118,96 51.306,97 7.812,98 0.293,99 0.756,100 15.582,101 4.909,102 43.562,103 5.486,104 17,105 43,106 0.283,107 0.611,108 0.739,109 0.86,110 0.879,111 0.895,112 3.34,113 0.868,114 -5.34,115 -5.22,116 -4.88,119 46.5,121 1,139 9,140 4,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 13,169 1,170 4,172 3,173 4,175 3,178 18,180 1,182 2,187 4,189 16,193 6,195 1,196 1,197 1,198 6,200 2,201 10,204 4,205 1,207 6,210 2,211 1,212 4,214 1,215 8,218 2,221 2,226 3,229 6,231 1,233 2,234 4,236 1,237 1,238 1,239 3,240 1,241 8,243 1,246 3,251 2,254 8,256 1,260 4,262 1,263 1,265 3,268 8,270 3,273 1046,274 18.102,275 18.102,276 18.102,277 18.102,278 18.102,279 15.271,280 16.674,281 10.531,282 18.392,283 14.816,284 14.816,285 14.816,286 14.816,287 14.816,288 10.58,289 21.325,290 5.022,291 15.352,292 3.769,293 1.847,294 1.1,295 0.39,296 0.279,297 0.186,298 4.037,299 1,300 1,301 1,302 1,303 689,304 3.082,307 282.471,311 239.773,314 1.682,315 27.443,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 57.833,327 313,328 4.656,329 3.645,330 6.836,331 4.165,332 3.215,333 4.617,334 1.987,335 11.239,336 3.041,337 4.409,338 3.378,339 6.185,340 3.931,341 2.931,342 4.337,343 0.324,344 9.238,345 2.931,346 3.963,347 2.936,348 5.842,349 3.587,350 2.624,351 3.439,353 8.065,354 2.544,355 3.746,356 2.723,357 5.403,358 3.354,359 2.388,360 3.135,362 7.066,363 2.277,364 3.465,365 2.393,366 5.102,367 3.025,368 2.077,369 2.862,371 5.989,372 1.961,373 3.434,374 2.157,375 5.022,376 2.95,377 1.998,378 2.77,380 5.813,381 1.897,382 3.256,383 2.061,384 4.732,385 2.801,386 1.817,387 2.482,389 5.074,390 1.763,391 3.118,392 1.802,393 4.408,394 2.618,395 1.618,396 2.427,398 4.348,399 1.618,400 2.885,401 1.618,402 4.176,403 2.396,404 1.399,405 2.067,407 3.43,408 1.394,409 2.696,410 1.427,411 3.615,412 2.224,413 1.316,414 1.764,415 2.995,416 1.14,417 2.187,418 0.865,419 3.207,420 1.702,421 0.703,422 1.035,423 1.628,424 0.702,425 1.675,426 0.768,427 3.113,428 1.29,429 0.373,430 0.46,431 0.942,432 0.322,433 1.296,434 0.546,435 2.825,436 0.926,437 -0.076,438 -0.098,439 -0.199,440 -0.074,441 1.2,442 0.278,443 2.763,444 0.736,445 -0.118,446 -0.146,448 -0.304,449 -0.089,450 1.01,451 -0.032,452 2.58,453 0.535,454 -0.404,455 -0.539,457 -1.08,458 -0.377,459 13.048,460 0.483,461 0.75,462 0.028,463 40.5,464 1.5,465 23,466 0.852,467 17.5,468 0.648,469 18.478,470 0.684,471 27.152,472 0.631,473 29.735,474 1.101,475 8.027,476 0.297,477 4.981,478 0.184,479 0.142,481 0.383,485 0.846,486 1.01,487 0.61,488 0.721,489 0.833,490 0.705,491 0.44,492 0.951,493 0.62,494 0.91,495 0.491,496 0.888,497 1.112,498 1.07,499 0.901,500 0.936,501 1.089,502 0.96,503 0.786,504 1.165,505 1.076,506 1.251,507 0.736,508 1.143,509 1.343,510 0.936,511 1.293,512 1.145,513 1.514,514 1.145,515 1.221,516 0.894,517 1.047,518 0.974,519 1.3,520 0.955,521 0.904,522 0.874,523 1.002,524 0.982,525 1.008,526 0.929,527 1.78,528 0.795,529 1.341,530 0.866,531 1.847,532 0.947,533 6,534 0.149,535 2.889,536 2.438,537 2.004,538 0.722,539 0.647,540 0.243,541 0.348,542 0.158,543 9518,544 27967,545 2.097,546 37.2,548 9,551 5,552 2,555 1.697,556 1.952,557 3.481,558 2.511,559 1,560 1,564 71.281,565 1.658,566 3.579,567 4.327,568 5.037,569 5.147,570 5.24,571 2.922,572 4.607,573 4.73,574 3.629,575 1273.87,576 8.187,577 16440.4,579 1,581 1,582 233.329,583 1.447,584 4.681,585 0.2,586 0.007,587 0.067,588 0.054,589 0.05,590 0.023,591 0.025,592 0.009,593 0.015,594 0.007,595 0.457,596 0.17,597 1,598 0.584,599 134.6,600 -0.158,601 0.11,602 -0.012,603 0.137,604 -0.192,605 0.108,606 0.253,607 0.102,608 0.064,609 -0.002,610 0.127,611 -0.011,612 -0.145,613 -0.045,614 -0.036,615 -0.003,616 -0.162,617 -0.056,618 0.19,619 -0.217,620 0.043,621 -0.246,622 0.18,623 -0.157,624 -0.047,625 0.023,626 -0.163,627 -0.154,628 -0.103,629 -0.175,630 -0.08,631 0.022,632 0.029,633 0.047,634 -0.072,635 0.085,636 0.285,637 0.032,638 0.097,639 0.048,640 0.316,641 0.09,642 -0.427,643 0.192,644 -0.243,645 0.11,646 -0.375,647 -0.014,648 1.846,649 5.493,650 0.741,651 23.193,652 1.011,653 1.119,654 4.108,655 16.877,656 0.719,657 3.434,658 3.784,659 4.06,660 4.357,661 4.575,662 4.605,663 4.682,664 4.754,665 4.836,666 4.736,667 6.676,668 0.693,669 377.86,670 3.434,671 4.99,672 5.849,673 6.742,674 7.613,675 8.508,676 9.385,677 10.279,678 11.159,679 12.054,680 11.6,684 2,687 1,690 2,694 4,695 9,696 2,700 5,702 22,711 2,717 1,718 43,719 23,720 3,721 30,723 46,724 20,725 18,726 7,727 9,729 4,730 6,731 1,739 1,741 19,742 1,744 1,748 1,751 1,754 1,757 16,758 6,759 5,760 7,761 1,764 5,769 0.5,770 1,776 1,781 4,785 2,790 1,802 2,807 1,810 27,811 2,816 1,817 1,828 1,829 2.3,832 1,836 13.833,837 7.626,838 5.806,839 2.354,840 4.463,841 1.583,842 1.05,843 4.561,844 12.122,845 3.761,846 4.454,847 5.094,848 5.753,849 6.352,850 6.65,851 7.02,852 7.381,853 7.715,854 7.571,855 0.875,856 45,857 9.929,859 4.32,860 7.862,861 18.585,863 15.365,865 2.362,866 63.778,869 1,870 129.482,871 116.058,872 117.376,873 39.149,874 25.145,877 116.058,878 193.776,879 117.376,881 20.545,882 151.081,883 63.421,884 19.306,885 4.227,886 129.482,887 39.149,888 129.482,889 233.435,890 25.145,891 39.149,893 129.482,894 25.145,897 24.589,898 175.275,899 72.72,901 129.482,902 142.521,903 155.207,906 129.482,907 30.772,908 85.286,909 18.011,910 163.659,911 129.482,912 142.521,913 155.207,915 0.59,916 0.346,917 0.196,918 0.106,919 22,920 10,921 0.065,922 3,923 2,924 1.2,925 3.895,926 233.516,927 0.2,928 20,929 128.382,933 17.527,934 7.026,935 3.52,936 3.218,937 142.521,938 17.335,939 8.031,943 1.905,945 83.805,946 427.21,947 42,951 12.493,954 -0.179,956 43.462,957 48.136,958 0.305,959 0.66,960 0.797,961 0.928,962 0.949,963 0.966,964 4.994,965 1.618,966 5.849,967 5.074,968 4.466,969 5.142,970 2.076,971 6.676,972 4.396,973 6.241,974 1.399,975 7.418,976 4.348,977 4.111,978 5.085,979 1.593,980 7.582,981 3.987,982 7.572,983 1.316,984 9.083,985 3.43,986 6.075,987 7.47,988 3.1,989 10.702,990 5.944,991 8.939,992 0.703,993 10.805,994 2.995,995 6.494,996 8.21,997 3.168,998 12.436,999 6.302,1000 10.334,1001 0.373,1002 12.564,1003 1.628,1004 7.96,1005 10.095,1006 4.312,1007 15.088,1008 7.762,1009 11.751,1010 -0.076,1011 14.351,1012 0.942,1013 8.755,1014 11.234,1015 4.654,1016 17.195,1017 8.497,1018 13.186,1019 -0.118,1020 16.158,1021 -0.199,1022 10.019,1023 12.905,1024 5.601,1025 19.684,1026 9.745,1027 3.215,1028 -0.404,1029 17.982,1030 -0.304,1031 10.998,1032 14.242,1033 6.091,1034 21.958,1035 10.666,1036 2.931,1037 11.239,1038 19.82,1039 -1.08,1040 12.181,1041 15.82,1042 6.927,1043 24.39,1044 11.822,1045 2.624,1046 9.238,1047 21.669,1048 4.617,1049 13.247,1050 17.251,1051 7.5,1052 26.739,1053 12.834,1054 2.388,1055 8.065,1056 23.529,1057 4.337,1058 14.402,1059 18.789,1060 8.273,1061 29.153,1062 13.951,1063 2.077,1064 7.066,1065 25.396,1066 3.439,1067 15.51,1068 20.264,1069 8.894,1070 31.537,1071 15.006,1072 1.998,1073 5.989,1074 27.271,1075 3.135,1076 16.656,1077 21.787,1078 9.631,1079 33.948,1080 16.109,1081 1.817,1082 5.813,1083 29.152,1084 2.862,1085 17.786,1086 23.282,1087 10.279,1088 36.348,1089 17.185,1090 8923,1091 15464,1092 19.997,1093 30.909,1094 45.382,1095 46.736,1096 46.478,1097 45.045,1098 44.916,1099 62.787,1100 4.622,1101 131.655,1102 43.181,1103 5.526,1104 5.645,1105 6.524,1106 5.237,1107 5.215,1108 7.617,1109 3.497,1110 18.501,1111 5.041,1112 13.156,1113 1.513,1114 1.558,1115 1.549,1116 1.502,1117 1.497,1118 2.093,1119 0.154,1120 4.389,1121 1.439,1122 4.104,1123 4.129,1124 4.138,1125 4.056,1126 7.429,1127 4.052,1128 4.049,1129 4.076,1130 4.031,1131 3.973,1132 5.316,1133 3.981,1134 3.647,1135 3.689,1136 3.612,1137 3.513,1138 4.99,1139 3.516,1140 3.476,1141 3.533,1142 3.513,1143 3.302,1144 4.897,1145 3.328,1146 3.281,1147 3.326,1148 3.294,1149 3.108,1150 4.846,1151 3.121,1152 3.136,1153 3.236,1154 3.181,1155 2.951,1156 4.441,1157 2.951,1158 3.038,1159 3.092,1160 2.925,1161 2.921,1162 4.323,1163 2.921,1164 2.864,1165 2.938,1166 2.922,1167 2.657,1168 4.145,1169 2.669,1170 0.155,1171 0.122,1172 0.228,1173 0.139,1174 0.107,1175 4.656,1176 0.154,1177 3.645,1178 0.066,1179 6.836,1180 0.375,1181 4.165,1182 0.101,1183 3.215,1184 4.617,1185 1.987,1186 11.239,1187 3.041,1188 2.079,1189 2.061,1190 2.166,1191 2.137,1192 1.312,1193 2.146,1194 2.002,1195 1.98,1196 2.035,1197 2.11,1198 1.177,1199 2.095,1200 1.605,1201 1.569,1202 1.762,1203 1.78,1204 0.918,1205 1.767,1206 1.41,1207 1.354,1208 1.539,1209 1.614,1210 0.54,1211 1.609,1212 1.227,1213 1.181,1214 1.432,1215 1.436,1216 0.424,1217 1.435,1218 1.056,1219 1.005,1220 1.28,1221 1.384,1222 0.334,1223 1.367,1224 1.033,1225 0.969,1226 1.265,1227 1.198,1228 0.171,1229 1.225,1230 0.817,1231 0.738,1232 1.063,1233 1.062,1234 0.014,1235 1.079,1236 4.111,1238 5.451,1240 6.991,1242 8.629,1244 10.318,1247 6.409,1250 11.51,1252 0.229,1253 2.827,1262 29.81,1263 71.281,1264 153.906,1265 186.045,1266 216.574,1267 221.329,1268 225.329,1269 44.75,1270 7.659,1271 106.92,1272 106.92,1273 24,1274 12.582,1275 4.585,1276 3.7,1277 40.426,1278 110,1279 98,1280 0.18,1281 187.143,1282 311.48,1283 448.389,1284 24056,1285 2.3,1286 18.966,1287 0.702,1288 0.555,1289 19.466,1290 14.995,1291 13.008,1292 0.434,1293 0.289,1294 8.248,1295 12.399,1296 8.043,1297 6.649,1298 13.297,1299 8.676,1300 12.148,1301 0.283,1302 0.153,1303 12.481,1304 6.573,1305 10.029,1306 0.176,1307 0.082,1308 10.457,1309 4.691,1310 8.989,1311 0.117,1312 0.044,1313 9.441,1314 3.359,1315 7.029,1316 0.073,1317 0.023,1318 7.32,1319 2.206,1320 0.286,1321 83.603,1322 0.224,1323 26.065,1324 0.483,1325 146,1326 416.186,1327 172.171,1328 446.044,1329 605.05,1330 414,1331 173,1332 431.077,1333 196.308,1334 451.055,1335 660.24,1336 425,1337 8.3}
{0 CHEMBL7246,1 1.545,2 5.857,3 0.834,4 0.696,5 54.199,6 8.82,7 0.733,8 3.191,9 3.328,10 2.88,11 2.739,12 4.589,13 2.766,14 3.566,15 3.716,16 3.224,17 3.081,18 4.94,19 3.085,20 3.757,21 3.935,22 3.243,23 3.157,24 5.087,25 3.155,26 3.729,27 3.933,28 3.052,29 2.999,30 5.133,31 2.968,32 3.594,33 3.847,34 2.669,35 2.683,36 4.945,37 2.634,38 3.266,39 3.579,40 2.125,41 2.192,42 4.717,43 2.072,44 2.542,45 2.883,46 1.319,47 1.472,48 3.746,49 1.35,50 1.442,51 1.626,52 0.928,53 0.766,54 3.401,55 0.743,56 0.069,57 0.372,58 3.01,59 1.253,60 14.045,61 1.365,62 0.123,63 0.533,64 4.741,65 2.358,66 16.552,67 2.9,68 0.133,69 0.609,70 6.303,71 2.405,72 18.351,73 2.868,74 0.16,75 0.553,76 6.632,77 2.45,78 31.246,79 3.083,80 0.166,81 0.434,82 7.083,83 1.922,84 32.429,85 2.533,86 0.165,87 0.267,88 6.634,89 1.836,90 33.76,91 2.782,92 0.065,93 0.111,94 3.674,95 0.918,96 18.952,97 1.48,98 0.023,99 0.042,100 0.532,101 0.198,102 8.381,103 0.267,104 11,105 21,106 0.316,107 0.69,108 0.775,109 0.861,110 0.861,111 0.861,112 2.735,113 0.787,114 -2.74,115 -2.75,116 -2.67,119 42.9,139 3,140 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 4,169 1,170 4,172 3,173 3,175 1,178 4,180 1,182 5,187 1,189 2,191 1,193 5,195 1,196 1,197 1,198 4,200 2,204 4,205 1,207 1,212 3,218 3,220 2,223 1,224 1,226 1,231 1,248 1,249 1,273 152,274 9.317,275 9.317,276 9.317,277 9.317,278 9.317,279 7.889,280 9.649,281 5.394,282 9.506,283 7.332,284 7.332,285 7.332,286 7.332,287 7.332,288 5.099,289 9.844,290 2.488,291 7.654,292 2.847,293 1.024,294 0.607,295 0.19,296 0.19,297 0.19,298 3.375,301 1,302 1,303 169,304 1.871,307 58.068,311 49.926,314 1.02,315 15.111,318 1,319 0.67,320 0.83,321 0.4,323 1,324 1,325 0.7,326 30.5,327 82,328 4.546,329 4.058,330 6.502,331 4.047,332 3.077,333 4.496,334 2.035,335 10.172,336 2.989,337 3.909,338 3.099,339 5.287,340 3.365,341 2.397,342 3.327,344 6.761,345 2.322,346 3.484,347 2.416,348 5.062,349 2.974,350 2.04,351 2.811,353 5.8,354 1.898,355 3.422,356 2.143,357 4.964,358 2.907,359 1.957,360 2.77,362 5.72,363 1.854,364 2.948,365 2.002,366 3.71,367 1.983,368 1.008,369 1.446,371 2.565,372 0.981,373 2.448,374 1.058,375 2.933,376 1.512,377 0.568,378 1.065,380 0.96,381 0.534,382 1.428,383 0.359,384 2.647,385 0.84,386 -0.091,387 -0.137,389 -0.182,390 -0.084,391 0.973,392 -0.281,393 2.487,394 0.476,395 -0.449,396 -0.582,398 -1.152,399 -0.413,400 0.612,401 -0.369,402 2.132,403 0.151,404 -0.815,405 -1.085,407 -1.992,408 -0.775,409 0.448,410 -0.731,411 1.558,412 0.085,413 -0.867,414 -1.282,415 -2.415,416 -0.839,417 -0.094,418 -1.089,419 1.411,420 -0.517,421 -1.483,422 -2.019,423 -3.906,424 -1.392,425 -0.228,426 -1.402,427 1.113,428 -0.606,429 -1.524,430 -2.174,431 -4.227,432 -1.428,433 -0.395,434 -1.714,435 1,436 -0.845,437 -1.818,438 -2.635,439 -5.211,440 -1.77,441 -0.5,442 -2,443 0.743,444 -1,445 -2,446 -3,448 -5.999,449 -1.875,450 -0.5,451 -2,452 0.453,453 -1.072,454 -2,455 -3,456 -2.035,457 -6.894,458 -2,459 6.5,460 0.464,461 0.383,462 0.027,463 23.25,464 1.661,465 14,466 1,467 9.25,468 0.661,469 6.002,470 0.429,471 13.9,472 0.662,473 13.412,474 0.958,475 4.542,476 0.324,477 2.161,478 0.154,479 0.185,481 0.385,485 1.196,486 1.057,487 0.742,488 0.695,489 0.951,490 0.634,491 0.34,492 0.804,493 0.571,494 0.886,495 0.346,496 0.802,497 1.174,498 1.193,499 0.98,500 1.019,501 0.767,502 0.97,503 1.013,504 1.188,505 1.172,506 1.283,507 1.09,508 1.267,509 1.515,510 1.191,511 1.376,512 1.153,513 1.324,514 1.217,515 0.674,516 0.568,517 1.009,518 0.889,519 0.828,520 0.995,521 0.884,522 0.696,523 0.75,524 0.627,525 1.781,526 0.652,527 0.156,528 0.893,529 1.235,530 1.648,531 0.842,532 1.674,533 3.5,535 1.556,536 1.063,537 1.098,538 0.292,539 0.141,540 0.059,543 1165,544 4284,545 1.993,546 33.3,548 3,551 4,555 1.513,556 1.826,557 2.585,558 2.382,562 1,564 32.448,565 1.545,566 3.368,567 3.785,568 4.202,569 4.202,570 4.202,571 2.236,572 3.379,573 3.779,574 2.619,575 238.3,576 6.318,577 1806.92,579 1,582 92.239,583 1.531,584 3.714,585 0.233,587 0.074,588 0.051,589 0.069,590 0.029,591 0.028,592 0.03,595 0.514,596 0.5,597 1,598 1.02,599 51.677,600 -0.363,601 0.057,602 -0.058,603 0.216,604 -0.262,605 0.161,606 0.428,607 0.259,608 0.181,609 0.086,610 0.186,611 0.08,612 -0.301,613 -0.175,614 -0.166,615 -0.089,616 -0.123,617 -0.096,618 -0.069,619 -0.222,620 -0.27,621 -0.359,622 -0.113,623 -0.359,624 -0.422,625 -0.3,626 -0.319,627 -0.241,628 -0.27,629 -0.254,630 0.424,631 0.187,632 0.301,633 0.139,634 0.388,635 0.182,636 0.137,637 -0.063,638 0.718,639 0.498,640 -0.071,641 0.687,642 1.108,643 0.088,644 -0.245,645 -0.835,646 1.37,647 -0.839,648 1.528,649 2.686,650 0.714,651 6.531,652 1.019,653 1.138,654 1.505,655 2.265,656 0.704,657 2.773,658 3.091,659 3.332,660 3.584,661 3.807,662 3.761,663 3.664,664 3.526,665 3.367,666 2.708,667 3.533,668 0.697,669 185.21,670 2.773,671 4.29,672 5.13,673 6.009,674 6.87,675 7.753,676 8.621,677 9.505,678 10.376,679 11.259,680 23.8,684 2,689 1,690 2,694 2,695 3,696 2,700 3,702 11,704 1,711 2,718 21,719 12,720 1,721 15,723 22,724 9,725 8,726 3,727 3,729 2,730 3,740 1,741 8,754 1,757 7,758 5,759 4,760 5,764 5,769 0.5,776 1,781 2,785 1,802 1,810 14,811 2,823 1,826 1,827 1,836 7.667,837 3.767,838 3.139,839 1.049,840 2.609,841 1.454,842 1.012,843 1.863,844 8.358,845 3.157,846 3.795,847 4.46,848 5.087,849 5.714,850 6.055,851 6.36,852 6.654,853 6.856,854 6.522,855 1,856 21,857 5.056,858 0.002,859 2.114,860 8.131,861 9.19,862 0.001,863 7.202,864 -0.001,865 2.631,866 36.833,867 0.002,870 35.313,871 57.16,872 130.425,877 57.16,878 35.313,879 130.425,882 94.223,883 50.173,884 38.962,885 4.227,886 35.313,888 35.313,889 187.585,893 35.313,897 35.103,898 118.911,899 33.571,901 35.313,902 130.425,903 57.16,906 35.313,907 12.13,908 28.429,909 16.602,910 130.425,911 35.313,912 130.425,913 57.16,915 0.581,916 0.343,917 0.187,918 0.106,919 11,920 5,923 1,924 1.2,925 2.555,926 89.146,927 0.2,928 10,929 53.303,933 8.579,934 3.04,935 1.436,936 1.298,937 130.425,938 5.001,939 7.801,943 0.96,945 65.794,946 222.898,947 22.5,956 21.393,957 23.907,958 0.352,959 0.767,960 0.862,961 0.957,962 0.957,963 0.957,964 4.379,965 -0.449,966 5.13,967 -0.182,968 3.761,969 4.477,970 2.228,971 5.938,972 3.682,973 5.639,974 -0.815,975 6.691,976 -1.152,977 3.434,978 4.407,980 6.823,981 3.319,982 6.969,983 -0.867,984 8.347,985 -1.992,986 5.352,987 6.816,988 3.563,989 9.9,990 5.207,991 8.332,992 -1.483,993 10.056,994 -2.415,995 5.771,996 7.545,998 11.574,999 5.598,1000 9.721,1001 -1.524,1002 11.799,1003 -3.906,1004 7.213,1005 9.437,1006 4.962,1007 14.194,1008 7.015,1009 11.131,1010 -1.818,1011 13.566,1012 -4.227,1013 7.996,1014 10.562,1016 16.229,1017 7.772,1018 12.558,1019 -2,1020 15.352,1021 -5.211,1022 9.243,1023 12.233,1024 6.378,1025 18.675,1026 8.994,1027 3.077,1028 -2,1029 17.153,1030 -5.999,1031 10.206,1032 13.558,1034 20.873,1035 9.93,1036 2.397,1037 10.172,1038 18.967,1039 -6.894,1040 11.374,1041 15.133,1042 7.797,1043 23.246,1044 11.073,1045 2.04,1046 6.761,1047 20.792,1048 4.496,1049 12.423,1050 16.554,1052 25.514,1053 12.094,1054 1.957,1055 5.8,1056 22.625,1057 3.327,1058 13.561,1059 18.087,1060 9.217,1061 27.857,1062 13.205,1063 1.008,1064 5.72,1065 24.465,1066 2.811,1067 14.65,1068 19.553,1070 30.154,1071 14.265,1072 0.568,1073 2.565,1074 26.312,1075 2.77,1076 15.776,1077 21.068,1078 10.638,1079 32.484,1080 15.365,1081 -0.091,1082 0.96,1083 28.163,1084 1.446,1085 16.884,1086 22.554,1088 34.794,1089 16.443,1090 1244,1091 2445,1092 9.652,1093 14.79,1094 23.513,1095 25.114,1096 23.315,1097 22.134,1098 22.095,1099 31.829,1100 4.069,1101 63.956,1102 21.155,1103 5.046,1104 6.058,1105 6.049,1106 5.119,1107 5.077,1108 7.496,1109 4.069,1110 17.066,1111 4.989,1112 7.092,1113 1.568,1114 1.674,1115 1.554,1116 1.476,1117 1.473,1118 2.122,1119 0.271,1120 4.264,1121 1.41,1122 4.063,1123 4.097,1124 4.037,1125 3.977,1126 6.82,1127 3.987,1128 3.524,1129 3.585,1130 3.488,1131 3.341,1132 5.305,1133 3.373,1134 3.138,1135 3.237,1136 3.054,1137 2.949,1138 4.982,1139 2.963,1140 3.08,1141 3.159,1142 3,1143 2.817,1144 4.665,1145 2.855,1146 2.692,1147 2.801,1148 2.491,1149 2.399,1150 4.12,1151 2.413,1152 2.567,1153 2.68,1154 2.442,1155 2.293,1156 3.797,1157 2.321,1158 2.204,1159 2.325,1160 1.994,1161 1.788,1162 3.46,1163 1.814,1164 1.889,1165 2.006,1166 1.701,1167 1.541,1168 3.028,1169 1.561,1170 0.303,1171 0.271,1172 0.433,1173 0.27,1174 0.205,1175 4.546,1176 0.3,1177 4.058,1178 0.136,1179 6.502,1180 0.678,1181 4.047,1182 0.199,1183 3.077,1184 4.496,1185 2.035,1186 10.172,1187 2.989,1188 2.013,1189 1.988,1190 2.07,1191 2.121,1192 1.168,1193 2.106,1194 1.436,1195 1.383,1196 1.536,1197 1.657,1198 0.415,1199 1.631,1200 1.072,1201 1.009,1202 1.297,1203 1.386,1204 0.211,1205 1.371,1206 0.973,1207 0.889,1208 1.16,1209 1.24,1211 1.216,1212 0.655,1213 0.536,1214 1.004,1215 0.966,1217 0.995,1218 0.477,1219 0.38,1220 0.715,1221 0.821,1223 0.803,1224 0.118,1226 0.486,1227 0.469,1229 0.474,1232 0.09,1233 0.164,1235 0.158,1236 3.434,1238 4.745,1240 6.271,1242 7.901,1244 9.584,1250 11.068,1260 8.686,1261 2.019,1262 14.634,1263 32.448,1264 70.729,1265 79.484,1266 88.239,1267 88.239,1268 88.239,1269 16.439,1270 5.749,1271 101.61,1272 101.61,1273 12,1274 11.795,1275 3.7,1276 3.087,1277 21.224,1278 30,1279 30,1280 0.389,1281 95.794,1282 154.26,1283 225.498,1284 1694,1286 10.129,1287 0.724,1288 0.516,1289 10.129,1290 7.228,1291 6.703,1292 0.447,1293 0.262,1294 3.877,1295 6.457,1296 3.8,1297 3.17,1298 6.703,1299 3.933,1300 6.065,1301 0.289,1302 0.134,1303 6.065,1304 2.811,1305 4.944,1306 0.183,1307 0.069,1308 4.944,1309 1.872,1310 4.142,1311 0.118,1312 0.035,1313 4.142,1314 1.24,1315 3.272,1316 0.074,1317 0.018,1318 3.272,1319 0.803,1320 0.562,1321 41.964,1322 0.322,1323 13.794,1324 1.201,1325 72,1326 229.56,1327 79.077,1328 234.874,1329 318.57,1330 216,1331 84,1332 237.732,1333 90.328,1334 244.653,1335 351.31,1336 229,1337 4.92}
{0 CHEMBL7263,1 1.573,2 10.208,3 2.196,4 4.822,5 96.758,6 7.01,7 0.462,8 3.951,9 4.089,10 3.455,11 3.397,12 5.054,13 3.39,14 4.482,15 4.672,16 3.792,17 3.785,18 5.516,19 3.749,20 4.699,21 4.908,22 3.876,23 3.951,24 5.657,25 3.888,26 4.82,27 5.058,28 3.776,29 3.968,30 5.764,31 3.86,32 4.857,33 5.132,34 3.606,35 3.907,36 5.717,37 3.766,38 4.755,39 5.039,40 3.484,41 3.781,42 5.593,43 3.638,44 4.644,45 4.911,46 3.428,47 3.682,48 5.453,49 3.564,50 4.497,51 4.74,52 3.4,53 3.617,54 5.398,55 3.502,56 0.057,57 0.705,58 10.815,59 3.845,60 12.043,61 5.59,62 0.291,63 1.066,64 19.797,65 6.835,66 30.682,67 9.662,68 0.269,69 1.296,70 24.595,71 7.834,72 25.902,73 12.01,74 0.382,75 1.361,76 28.491,77 8.736,78 42.336,79 13.598,80 0.485,81 1.301,82 30.528,83 8.522,84 47.881,85 13.934,86 0.424,87 1.121,88 27.832,89 8.234,90 45.697,91 12.782,92 0.402,93 0.963,94 25.18,95 7.592,96 36.071,97 11.29,98 0.247,99 0.907,100 20.878,101 6.93,102 28.011,103 10.203,104 21,105 36,106 0.272,107 0.623,108 0.791,109 0.845,110 0.86,111 0.882,112 3.228,113 0.92,114 -3.24,115 -3.23,116 -3.1,119 36.2,121 3,122 1,124 2,125 1,139 3,140 1,141 3,143 1,144 1,147 1,157 2,158 2,159 2,166 5,169 1,170 6,172 3,173 3,175 3,178 5,180 1,182 6,185 1,187 4,189 3,191 1,193 3,195 1,196 2,197 1,198 7,200 2,201 1,204 4,205 1,206 1,207 2,212 3,215 3,218 3,221 3,224 2,225 1,226 1,228 1,229 5,231 1,234 4,241 4,246 4,250 1,251 1,253 1,254 2,256 1,259 2,260 2,262 1,263 1,265 1,270 1,273 754,274 16.273,275 16.273,276 16.273,277 16.273,278 16.273,279 14.72,280 24.965,281 9.454,282 16.857,283 12.697,284 12.697,285 12.697,286 12.697,287 12.697,288 10.226,289 33.141,290 4.328,291 13.457,292 3.982,293 1.952,294 0.984,295 0.67,296 0.585,297 0.458,298 3.91,300 1,301 1,302 1,303 519,304 2.828,307 202.314,311 104.615,314 1.458,315 21.404,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 52.5,327 245,328 4.417,329 3.27,330 6.502,331 4.049,332 3.079,333 4.091,334 0.86,335 10.175,336 2.99,337 4.267,338 3.15,339 6.173,340 3.859,341 2.905,342 3.91,343 0.86,344 9.172,345 2.768,346 3.58,347 2.684,348 5.313,349 3.377,350 2.41,351 2.861,352 0.4,353 6.885,354 2.331,355 3.535,356 2.489,357 5.22,358 3.155,359 2.235,360 2.83,362 6.487,363 2.048,364 3.331,365 2.222,366 5.062,367 2.976,368 2.044,369 2.564,371 5.803,372 1.899,373 3.225,374 2.194,375 4.971,376 2.913,377 1.965,378 2.319,380 5.756,381 1.858,382 2.899,383 1.907,384 4.391,385 2.537,386 1.594,387 2.024,389 4.254,390 1.498,391 2.095,392 1.306,393 3.71,394 1.983,395 1.008,396 1.07,398 2.565,399 0.981,400 2.001,401 1.253,402 3.284,403 1.726,404 0.805,405 0.935,407 1.761,408 0.734,409 1.755,410 0.922,411 3.014,412 1.554,413 0.656,414 0.703,415 1.223,416 0.585,417 1.452,418 0.873,419 2.756,420 1.191,421 0.332,422 0.364,423 0.463,424 0.283,425 1.227,426 0.221,427 2.641,428 0.955,429 0.021,430 0.024,431 0.049,432 0.02,433 0.886,434 -0.019,435 2.529,436 0.516,437 -0.407,438 -0.486,439 -0.812,440 -0.372,441 0.778,442 -0.285,443 2.39,444 0.454,445 -0.471,446 -0.565,448 -1.154,449 -0.43,450 0.623,451 -0.441,452 2.206,453 0.237,454 -0.706,455 -0.838,457 -1.804,458 -0.659,459 11.167,460 0.465,461 0.571,462 0.024,463 30.5,464 1.271,465 14.5,466 0.604,467 16,468 0.667,469 19.653,470 0.819,471 27.233,472 0.579,473 21.095,474 0.879,475 5.946,476 0.248,477 5.655,478 0.236,479 0.161,481 0.358,485 1.042,486 1.389,487 0.882,488 1.17,489 1.161,490 1.01,491 1.091,492 0.979,493 0.862,494 0.953,495 0.663,496 0.898,497 0.964,498 1.259,499 0.996,500 1.143,501 0.827,502 1.081,503 0.913,504 1.199,505 1.132,506 1.222,507 0.917,508 1.214,509 0.891,510 1.021,511 1.107,512 1.038,513 1.156,514 1.085,515 0.923,516 0.773,517 1.026,518 0.955,519 1.04,520 0.995,521 1.373,522 0.786,523 0.985,524 0.831,525 1.016,526 0.862,527 1.047,528 1.094,529 1.011,530 1.16,531 0.885,532 1.111,533 5.5,534 0.136,535 2.667,536 1.5,537 1.711,538 0.646,539 0.345,540 0.295,541 0.242,542 0.217,543 6310,544 16810,545 2.04,546 48.9,547 4,548 11,551 5,552 2,553 1,555 1.667,556 1.895,557 3.315,558 2.661,559 1,560 1,564 73.927,565 1.573,566 3.603,567 4.57,568 4.884,569 4.969,570 5.097,571 2.709,572 3.835,573 4.56,574 3.46,575 954.832,576 7.859,577 11355.9,579 1,581 1,582 261.066,583 1.459,584 4.507,585 0.212,586 0.009,587 0.074,588 0.039,589 0.053,590 0.025,591 0.015,592 0.013,593 0.011,594 0.011,595 0.462,596 0.17,597 1,598 0.921,599 114.568,600 -0.117,601 -0.079,602 0.035,603 -0.017,604 -0.152,605 0.037,606 0.006,607 0.149,608 0.1,609 0.129,610 0.202,611 0.119,612 -0.06,613 -0.139,614 -0.052,615 -0.087,616 -0.025,617 -0.069,618 -0.035,619 -0.144,620 -0.18,621 -0.213,622 -0.04,623 -0.223,624 -0.04,625 -0.05,626 -0.138,627 -0.085,628 -0.186,629 -0.115,630 -0.027,631 0.156,632 -0.048,633 -0.003,634 -0.096,635 -0.022,636 -0.17,637 0.077,638 0.022,639 0.154,640 -0.116,641 0.122,642 -0.048,643 -0.144,644 -0.046,645 -0.119,646 -0.016,647 -0.094,648 1.413,649 2.007,650 0.667,651 19.25,652 1.002,653 1.141,654 2.01,655 4.04,656 0.634,657 3.296,658 3.611,659 3.871,660 4.111,661 4.344,662 4.357,663 4.369,664 4.394,665 4.543,666 4.575,667 6.047,668 0.602,669 329.45,670 3.296,671 4.828,672 5.673,673 6.547,674 7.408,675 8.284,676 9.15,677 10.027,678 10.896,679 11.773,680 10.6,684 2,685 1,690 2,695 3,696 2,700 7,702 12,711 2,712 1,716 2,718 47,719 12,720 1,721 26,723 49,724 17,725 10,726 3,727 3,729 3,730 4,736 3,737 1,739 3,741 10,742 7,743 1,753 1,754 1,757 23,758 7,759 5,760 7,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 2,810 24,811 2,816 4,817 1,818 2,820 1,829 4.3,834 2,836 12.667,837 8.733,838 5.417,839 2.603,840 2.302,841 1.324,842 0.97,843 5.187,844 9.397,845 3.497,846 4.078,847 4.61,848 5.118,849 5.603,850 5.668,851 5.671,852 5.764,853 6.074,854 6.247,855 0.857,856 38,857 8.822,859 3.647,860 7.688,861 16.946,863 13.698,865 2.188,866 52.5,870 211.88,871 83.317,872 117.376,874 22,877 83.317,878 233.88,879 117.376,880 21.766,881 9.709,882 94.223,883 51.582,884 41.186,885 4.227,886 211.88,888 211.88,889 200.693,890 22,893 200.109,894 33.771,897 14.365,898 134.746,899 51.582,901 211.88,902 139.376,903 83.317,906 211.88,907 33.122,908 50.195,909 18.011,910 121.365,911 211.88,912 139.376,913 83.317,915 0.577,916 0.346,917 0.187,918 0.103,919 17,920 8,921 0.102,922 5,923 1,924 1.125,925 3.591,926 190.566,927 0.125,928 16,929 110.039,933 16.957,934 7.342,935 3.801,937 139.376,938 5.711,939 8.384,943 5.271,945 83.805,946 434.573,947 32,956 47.116,957 53.647,958 0.283,959 0.649,960 0.823,961 0.879,962 0.895,963 0.918,964 4.736,965 1.008,966 5.659,967 4.254,968 4.29,969 4.762,970 1.454,971 6.457,972 4.188,973 5.931,974 0.805,975 7.213,976 2.565,977 3.892,978 4.62,980 7.322,981 3.753,982 7.237,983 0.656,984 8.86,985 1.761,986 5.878,987 6.928,988 1.175,989 10.384,990 5.697,991 8.575,992 0.332,993 10.561,994 1.223,995 6.256,996 7.556,998 12.037,999 6.037,1000 9.942,1001 0.021,1002 12.296,1003 0.463,1004 7.722,1005 9.378,1006 0.966,1007 14.625,1008 7.476,1009 11.33,1010 -0.407,1011 14.054,1012 0.049,1013 8.471,1014 10.371,1016 16.631,1017 8.188,1018 12.733,1019 -0.471,1020 15.83,1021 -0.812,1022 9.723,1023 11.985,1024 0.788,1025 19.044,1026 9.417,1027 3.079,1028 -0.706,1029 17.62,1030 -1.154,1031 10.658,1032 13.166,1034 21.212,1035 10.315,1036 2.905,1037 10.175,1038 19.421,1039 -1.804,1040 11.82,1041 14.677,1042 0.634,1043 23.557,1044 11.453,1045 2.41,1046 9.172,1047 21.232,1048 4.091,1049 12.844,1050 15.957,1052 25.797,1053 12.443,1054 2.235,1055 6.885,1056 23.051,1057 3.91,1058 13.97,1059 17.415,1060 0.504,1061 28.116,1062 13.543,1063 2.044,1064 6.487,1065 24.877,1066 2.861,1067 15.038,1068 18.747,1070 30.39,1071 14.578,1072 1.965,1073 5.803,1074 26.708,1075 2.83,1076 16.151,1077 20.176,1078 0.395,1079 32.7,1080 15.664,1081 1.594,1082 5.756,1083 28.545,1084 2.564,1085 17.24,1086 21.537,1088 34.99,1089 16.721,1090 6195,1091 10203,1092 17.107,1093 29.79,1094 38.036,1095 39.123,1096 39.894,1097 38.029,1098 38.109,1099 47.387,1100 4.24,1101 109.191,1102 35.989,1103 5.362,1104 5.27,1105 6.071,1106 5.121,1107 5.079,1108 7.091,1109 1.72,1110 17.069,1111 4.99,1112 12.642,1113 1.463,1114 1.505,1115 1.534,1116 1.463,1117 1.466,1118 1.823,1119 0.163,1120 4.2,1121 1.384,1122 4.01,1123 4.056,1124 3.952,1125 3.894,1126 5.282,1127 3.901,1128 3.907,1129 3.931,1130 3.863,1131 3.805,1132 4.978,1133 3.814,1134 3.579,1135 3.65,1136 3.473,1137 3.388,1138 4.927,1139 3.403,1140 3.327,1141 3.378,1142 3.187,1143 3.051,1144 4.604,1145 3.068,1146 3.234,1147 3.322,1148 3.065,1149 3.007,1150 4.466,1151 3.011,1152 3.153,1153 3.252,1154 3.004,1155 2.885,1156 4.248,1157 2.899,1158 3.119,1159 3.219,1160 2.887,1161 2.86,1162 4.069,1163 2.851,1164 2.907,1165 3.017,1166 2.73,1167 2.705,1168 3.871,1169 2.703,1170 0.17,1171 0.126,1172 0.25,1173 0.156,1174 0.118,1175 4.417,1176 0.157,1177 3.27,1178 0.033,1179 6.502,1180 0.391,1181 4.049,1182 0.115,1183 3.079,1184 4.091,1185 0.86,1186 10.175,1187 2.99,1188 1.952,1189 1.912,1190 2.091,1191 2.094,1192 1.45,1193 2.093,1194 1.866,1195 1.846,1196 1.96,1197 1.994,1198 1.072,1199 1.982,1200 1.521,1201 1.456,1202 1.675,1203 1.753,1204 0.843,1205 1.741,1206 1.247,1207 1.185,1208 1.592,1209 1.57,1210 0.746,1211 1.573,1212 1.211,1213 1.13,1214 1.543,1215 1.486,1216 0.586,1217 1.507,1218 1.131,1219 1.038,1220 1.51,1221 1.422,1222 0.558,1223 1.455,1224 1.061,1225 0.969,1226 1.342,1227 1.387,1228 0.405,1229 1.384,1230 0.88,1231 0.794,1232 1.216,1233 1.195,1234 0.173,1235 1.225,1236 3.97,1238 5.283,1240 6.801,1242 8.416,1244 10.08,1246 3.31,1250 11.678,1252 3.559,1253 3.459,1254 10.68,1256 0.447,1262 28.278,1263 73.927,1264 169.343,1265 214.801,1266 229.556,1267 233.556,1268 239.556,1269 36.478,1270 7.095,1271 108.31,1272 108.31,1273 18,1274 12.312,1275 3.7,1276 2.807,1277 39.368,1278 89,1279 76,1280 0.221,1281 176.06,1282 300.52,1283 421.346,1284 11138,1286 17.104,1287 0.713,1288 0.583,1289 17.104,1290 14.003,1291 11.601,1292 0.446,1293 0.307,1294 7.817,1295 11.023,1296 7.591,1297 6.329,1298 11.601,1299 7.97,1300 10.25,1301 0.285,1302 0.165,1303 10.25,1304 5.948,1305 8.663,1306 0.184,1307 0.094,1308 8.663,1309 4.412,1310 7.169,1311 0.119,1312 0.052,1313 7.169,1314 3.111,1315 5.751,1316 0.076,1317 0.03,1318 5.751,1319 2.258,1320 0.347,1321 73.684,1322 0.242,1323 23.447,1324 0.602,1325 124,1326 357.719,1327 137.861,1328 342.232,1329 470.83,1330 322,1331 145,1332 349.105,1333 158.363,1334 355.102,1335 513.76,1336 331,1337 6.252}
{0 CHEMBL7275,1 1.708,2 5.857,3 0.714,4 0.511,5 55.052,6 8.555,7 0.733,8 3.236,9 3.368,10 2.894,11 2.752,12 4.591,13 2.78,14 3.631,15 3.777,16 3.238,17 3.099,18 4.998,19 3.103,20 3.807,21 3.978,22 3.263,23 3.175,24 5.118,25 3.174,26 3.828,27 4.026,28 3.077,29 3.028,30 5.186,31 2.996,32 3.68,33 3.921,34 2.704,35 2.717,36 4.971,37 2.669,38 3.403,39 3.694,40 2.224,41 2.235,42 4.868,43 2.133,44 2.767,45 3.078,46 1.394,47 1.553,48 3.864,49 1.434,50 1.708,51 1.877,52 1.037,53 0.826,54 3.611,55 0.819,56 0.082,57 0.369,58 3.489,59 1.442,60 12.226,61 1.69,62 0.159,63 0.536,64 5.686,65 2.676,66 21.983,67 3.241,68 0.158,69 0.606,70 7.149,71 2.693,72 16.661,73 3.391,74 0.223,75 0.549,76 8.455,77 2.986,78 34.805,79 3.841,80 0.211,81 0.432,82 8.239,83 2.203,84 33.774,85 3.06,86 0.274,87 0.263,88 7.658,89 1.77,90 40.377,91 2.808,92 0.117,93 0.109,94 4.787,95 1.24,96 22.793,97 1.83,98 0.057,99 0.041,100 0.928,101 0.222,102 11.765,103 0.305,104 11,105 21,106 0.35,107 0.683,108 0.795,109 0.876,110 0.876,111 0.876,112 2.735,113 0.797,114 -2.74,115 -2.75,116 -2.67,119 40.9,139 3,140 2,143 1,144 1,147 1,151 1,157 2,158 2,159 2,166 4,169 1,170 4,172 3,173 3,175 1,178 4,180 1,182 5,187 1,189 2,191 1,193 5,195 1,196 1,197 1,198 4,200 2,204 4,205 1,207 1,212 3,218 3,220 2,223 1,224 1,226 1,231 1,248 1,249 1,273 152,274 9.317,275 9.317,276 9.317,277 9.317,278 9.317,279 7.928,280 6.97,281 5.394,282 9.478,283 7.332,284 7.332,285 7.332,286 7.332,287 7.332,288 5.177,289 7.5,290 2.488,291 7.593,292 2.751,293 1.125,294 0.58,295 0.182,296 0.182,297 0.182,298 3.375,301 1,302 1,303 169,304 1.871,307 58.068,311 49.926,314 1.02,315 16.735,318 1,319 0.83,320 0.83,321 0.4,323 1,324 1,325 0.72,326 31,327 82,328 4.542,329 3.143,330 6.502,331 4.048,332 3.077,333 4.493,335 10.172,336 2.991,337 3.794,338 2.911,339 5.287,340 3.377,341 2.397,342 3.273,344 6.761,345 2.352,346 3.431,347 2.267,348 5.062,349 2.976,350 2.04,351 2.811,353 5.8,354 1.9,355 3.392,356 2.088,357 4.964,358 2.911,359 1.957,360 2.733,362 5.72,363 1.861,364 2.463,365 1.78,366 3.71,367 1.984,368 1.008,369 1.439,371 2.565,372 0.982,373 2.288,374 1.057,375 2.933,376 1.657,377 0.568,378 0.892,380 0.96,381 0.609,382 1.381,383 0.149,384 2.647,385 0.892,386 -0.091,387 -0.131,389 -0.182,390 -0.089,391 0.97,392 -0.297,393 2.487,394 0.478,395 -0.449,396 -0.581,398 -1.152,399 -0.414,400 0.596,401 -0.648,402 2.132,403 0.154,404 -0.815,405 -1.079,407 -1.992,408 -0.779,409 0.435,410 -0.753,411 1.558,412 0.112,413 -0.867,414 -1.23,415 -2.415,416 -0.86,417 -0.131,418 -1.331,419 1.411,420 -0.484,421 -1.483,422 -2.001,423 -3.906,424 -1.394,425 -0.229,426 -1.403,427 1.113,428 -0.601,429 -1.524,430 -2.026,431 -4.227,432 -1.474,433 -0.432,434 -1.764,435 1,436 -0.833,437 -1.818,438 -2.593,439 -5.211,440 -1.808,441 -0.5,442 -2,443 0.743,444 -1,445 -2,446 -3,448 -5.999,449 -1.877,450 -0.5,451 -2,452 0.453,453 -1.072,454 -2,455 -3,457 -6.894,458 -2,459 6.433,460 0.46,461 0.383,462 0.027,463 21.75,464 1.554,465 12.5,466 0.893,467 9.25,468 0.661,469 6.255,470 0.447,471 14.567,472 0.662,473 13.16,474 0.94,475 4.458,476 0.318,477 2.244,478 0.16,479 0.176,481 0.389,485 0.942,486 1.111,487 0.743,488 0.782,489 0.877,490 0.7,491 0.527,492 0.832,493 0.646,494 0.897,495 0.58,496 0.834,497 0.941,498 1.249,499 0.959,500 1.088,501 0.689,502 1.019,503 1.022,504 1.173,505 1.114,506 1.254,507 1.027,508 1.226,509 1.279,510 1.197,511 1.3,512 1.186,513 1.213,514 1.219,515 0.783,516 0.605,517 1.102,518 0.819,519 0.885,520 0.982,521 1.368,522 0.585,523 0.79,524 0.658,525 1.703,526 0.652,527 0.96,528 0.848,529 1.477,530 1.321,531 1.208,532 1.497,533 3.5,535 1.556,536 1.063,537 1.098,538 0.292,539 0.141,540 0.059,543 1165,544 4327,545 1.993,546 36.4,548 3,550 1,551 4,555 1.513,556 1.826,557 2.585,558 2.382,562 1,564 37.578,565 1.708,566 3.334,567 3.88,568 4.278,569 4.278,570 4.278,571 2.236,572 3.379,573 3.779,574 2.619,575 238.3,576 6.318,577 1806.92,579 1,582 98.107,583 1.531,584 3.714,585 0.233,587 0.074,588 0.051,589 0.069,590 0.029,591 0.028,592 0.03,595 0.514,596 0.5,597 1,598 1.02,599 51.677,600 -0.249,601 0.062,602 -0.045,603 0.177,604 -0.239,605 0.142,606 0.198,607 0.278,608 0.115,609 0.103,610 0.065,611 0.071,612 -0.204,613 -0.178,614 -0.158,615 -0.138,616 -0.08,617 -0.126,618 -0.083,619 -0.218,620 -0.189,621 -0.303,622 -0.069,623 -0.288,624 -0.29,625 -0.295,626 -0.276,627 -0.29,628 -0.225,629 -0.271,630 0.391,631 0.171,632 0.119,633 0.093,634 0.297,635 0.064,636 -0.009,637 -0.052,638 0.616,639 0.418,640 -0.077,641 0.604,642 0.839,643 0.042,644 -0.393,645 -0.522,646 0.968,647 -0.703,648 1.533,649 3.522,650 0.714,651 6.531,652 1.023,653 1.138,654 1.505,655 2.265,656 0.682,657 2.773,658 3.091,659 3.332,660 3.584,661 3.807,662 3.761,663 3.664,664 3.526,665 3.367,666 2.708,667 3.533,668 0.675,669 188.21,670 2.773,671 4.29,672 5.13,673 6.009,674 6.87,675 7.753,676 8.621,677 9.505,678 10.376,679 11.259,680 18.2,684 2,690 2,694 2,695 3,696 2,700 3,702 11,703 1,711 2,718 22,719 12,720 1,721 15,723 23,724 9,725 8,726 3,727 3,728 1,729 2,730 3,741 9,744 1,748 1,749 1,754 1,757 8,758 5,759 4,760 5,764 4,769 0.5,770 1,776 1,781 2,785 1,802 1,810 14,811 2,829 4.5,832 1,836 7.667,837 3.817,838 3.139,839 1.075,840 2.499,841 1.435,842 1.01,843 1.965,844 8.248,845 3.114,846 3.773,847 4.425,848 5.059,849 5.68,850 5.985,851 6.278,852 6.551,853 6.781,854 6.314,855 1,856 21,857 5.077,858 0.002,859 2.133,860 8.167,861 9.234,862 0.001,863 7.269,864 -0.001,865 2.667,866 37.333,867 0.002,870 47.084,871 51.983,872 99.365,874 25.145,877 51.983,878 72.229,879 99.365,882 94.223,883 81.911,884 7.903,885 4.227,886 35.313,888 47.084,889 151.348,890 25.145,893 47.084,894 25.145,897 4.043,898 102.31,899 44.995,901 47.084,902 124.51,903 51.983,906 47.084,907 12.13,908 39.853,910 124.51,911 47.084,912 124.51,913 51.983,915 0.581,916 0.343,917 0.187,918 0.106,919 11,920 5,921 0.043,922 1,923 1,924 1.2,925 2.555,926 89.146,927 0.2,928 10,929 53.303,933 8.753,934 3.143,935 1.497,936 1.282,937 124.51,938 4.978,939 7.788,943 0.961,945 65.794,946 223.577,947 21.5,951 10.522,952 0.745,956 22.502,957 25.033,958 0.383,959 0.748,960 0.87,961 0.959,962 0.959,963 0.959,964 4.314,965 -0.449,966 5.13,967 -0.182,968 3.761,969 4.454,971 5.938,972 3.697,973 5.557,974 -0.815,975 6.691,976 -1.152,977 3.434,978 4.407,980 6.823,981 3.319,982 6.881,983 -0.867,984 8.347,985 -1.992,986 5.352,987 6.792,989 9.9,990 5.227,991 8.244,992 -1.483,993 10.056,994 -2.415,995 5.771,996 7.533,998 11.574,999 5.609,1000 9.635,1001 -1.524,1002 11.799,1003 -3.906,1004 7.213,1005 9.415,1007 14.194,1008 7.036,1009 11.048,1010 -1.818,1011 13.566,1012 -4.227,1013 7.996,1014 10.548,1016 16.229,1017 7.788,1018 12.479,1019 -2,1020 15.352,1021 -5.211,1022 9.243,1023 12.216,1025 18.675,1026 9.015,1027 3.077,1028 -2,1029 17.153,1030 -5.999,1031 10.206,1032 13.545,1034 20.873,1035 9.948,1036 2.397,1037 10.172,1038 18.967,1039 -6.894,1040 11.374,1041 15.119,1043 23.246,1044 11.092,1045 2.04,1046 6.761,1047 20.792,1048 4.493,1049 12.423,1050 16.542,1052 25.514,1053 12.112,1054 1.957,1055 5.8,1056 22.625,1057 3.273,1058 13.561,1059 18.075,1061 27.857,1062 13.224,1063 1.008,1064 5.72,1065 24.465,1066 2.811,1067 14.65,1068 19.541,1070 30.154,1071 14.283,1072 0.568,1073 2.565,1074 26.312,1075 2.733,1076 15.776,1077 21.056,1079 32.484,1080 15.383,1081 -0.091,1082 0.96,1083 28.163,1084 1.439,1085 16.884,1086 22.543,1088 34.794,1089 16.461,1090 1244,1091 2451,1092 9.652,1093 15,1094 22.619,1095 23.931,1096 23.315,1097 22.226,1098 22.095,1099 31.282,1101 63.956,1102 21.389,1103 5.042,1104 5.143,1105 6.049,1106 5.119,1107 5.077,1108 7.493,1110 17.066,1111 4.991,1112 7.092,1113 1.508,1114 1.595,1115 1.554,1116 1.482,1117 1.473,1118 2.085,1120 4.264,1121 1.426,1122 4.065,1123 4.098,1124 4.037,1125 3.976,1126 7.452,1127 3.986,1128 3.535,1129 3.586,1130 3.484,1131 3.337,1132 5.306,1133 3.369,1134 3.144,1135 3.237,1136 3.049,1137 2.944,1138 4.982,1139 2.958,1140 3.103,1141 3.159,1142 2.996,1143 2.808,1144 4.672,1145 2.847,1146 2.694,1147 2.801,1148 2.491,1149 2.397,1150 4.132,1151 2.411,1152 2.583,1153 2.676,1154 2.439,1155 2.273,1156 3.804,1157 2.305,1158 2.206,1159 2.325,1160 1.994,1161 1.788,1162 3.461,1163 1.813,1164 1.891,1165 2.005,1166 1.703,1167 1.539,1168 3.082,1169 1.559,1170 0.303,1171 0.21,1172 0.433,1173 0.27,1174 0.205,1175 4.542,1176 0.3,1177 3.143,1179 6.502,1180 0.678,1181 4.048,1182 0.199,1183 3.077,1184 4.493,1186 10.172,1187 2.991,1188 2.014,1189 1.989,1190 2.075,1191 2.124,1192 1.181,1193 2.109,1194 1.441,1195 1.395,1196 1.557,1197 1.678,1198 0.458,1199 1.649,1200 1.075,1201 1.02,1202 1.302,1203 1.386,1204 0.255,1205 1.371,1206 0.982,1207 0.907,1208 1.234,1209 1.307,1211 1.283,1212 0.657,1213 0.539,1214 1.024,1215 0.968,1217 0.998,1218 0.486,1219 0.403,1220 0.821,1221 0.858,1223 0.85,1224 0.118,1226 0.497,1227 0.474,1229 0.481,1232 0.091,1233 0.166,1235 0.16,1236 3.434,1238 4.745,1240 6.271,1242 7.901,1244 9.584,1250 11.057,1262 14.854,1263 37.578,1264 73.353,1265 85.353,1266 94.107,1267 94.107,1268 94.107,1269 17.484,1270 5.749,1271 94.89,1272 94.89,1273 12,1274 11.795,1275 3.7,1276 2.907,1277 21.224,1278 30,1279 30,1280 0.389,1281 95.924,1282 154.69,1283 225.814,1284 1694,1286 10.129,1287 0.724,1288 0.519,1289 10.129,1290 7.267,1291 6.703,1292 0.447,1293 0.266,1294 3.919,1295 6.419,1296 3.846,1297 3.204,1298 6.703,1299 3.984,1300 6.065,1301 0.289,1302 0.136,1303 6.065,1304 2.861,1305 4.944,1306 0.183,1307 0.07,1308 4.944,1309 1.903,1310 4.142,1311 0.118,1312 0.036,1313 4.142,1314 1.262,1315 3.272,1316 0.074,1317 0.019,1318 3.272,1319 0.823,1320 0.562,1321 42.317,1322 0.322,1323 13.794,1324 1.201,1325 72,1326 241.65,1327 79.823,1328 238.189,1329 320.1,1330 220,1331 84,1332 233.051,1333 90.991,1334 238.424,1335 344.4,1336 223,1337 5}
{0 CHEMBL7375,1 1.545,2 9.348,3 2.846,4 8.099,5 91.612,6 6.987,7 0.48,8 3.904,9 4.035,10 3.409,11 3.38,12 5.002,13 3.365,14 4.44,15 4.624,16 3.753,17 3.777,18 5.467,19 3.733,20 4.653,21 4.852,22 3.834,23 3.957,24 5.595,25 3.885,26 4.794,27 5.023,28 3.751,29 3.994,30 5.713,31 3.878,32 4.836,33 5.094,34 3.628,35 3.951,36 5.699,37 3.807,38 4.793,39 5.074,40 3.508,41 3.821,42 5.609,43 3.679,44 4.634,45 4.895,46 3.435,47 3.666,48 5.478,49 3.55,50 4.462,51 4.726,52 3.346,53 3.518,54 5.43,55 3.395,56 0.038,57 0.664,58 10.256,59 3.941,60 11.417,61 5.502,62 0.259,63 1.021,64 18.873,65 7.074,66 29.017,67 9.625,68 0.172,69 1.256,70 23.193,71 8.261,72 22.233,73 11.993,74 0.281,75 1.351,76 27.452,77 9.594,78 38.887,79 14.017,80 0.392,81 1.33,82 29.348,83 9.452,84 43.802,85 14.43,86 0.351,87 1.173,88 28.91,89 8.865,90 43.278,91 13.478,92 0.35,93 0.975,94 24.841,95 7.76,96 34.658,97 11.297,98 0.322,99 0.88,100 20.447,101 6.234,102 34.365,103 9.689,104 21,105 35,106 0.27,107 0.598,108 0.75,109 0.821,110 0.852,111 0.875,112 3.189,113 0.926,114 -4,115 -3.95,116 -3.74,119 37.8,121 4,122 1,124 2,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 7,172 3,173 3,175 1,178 10,180 1,182 8,187 1,189 10,191 1,193 5,195 1,196 1,197 1,198 4,200 2,201 6,204 4,205 1,206 1,207 6,212 4,215 5,218 4,221 6,226 2,229 4,231 2,234 4,239 2,241 2,243 2,245 2,246 2,248 1,249 1,251 2,256 2,259 2,260 2,262 1,263 1,265 2,270 2,273 677,274 15.566,275 15.566,276 15.566,277 15.566,278 15.566,279 14.013,280 20.981,281 9.008,282 16.095,283 12.214,284 12.214,285 12.214,286 12.214,287 12.214,288 9.753,289 22.774,290 4.128,291 12.883,292 3.947,293 2.064,294 1.195,295 0.789,296 0.611,297 0.478,298 3.869,300 1,301 1,302 1,303 455,304 2.646,307 184.997,311 95.627,314 1.376,315 19.891,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 50,327 215,328 4.419,329 3.284,330 6.504,331 4.058,332 3.086,333 4.092,334 0.86,335 10.184,336 3.005,337 4.272,338 3.174,339 6.195,340 3.881,341 2.913,342 3.913,343 0.86,344 9.271,345 2.819,346 3.594,347 2.692,348 5.311,349 3.351,350 2.387,351 2.876,353 6.877,354 2.301,355 3.515,356 2.471,357 5.211,358 3.139,359 2.217,360 2.818,362 6.446,363 2.036,364 3.326,365 2.222,366 5.062,367 2.97,368 2.035,369 2.563,371 5.803,372 1.896,373 3.209,374 2.196,375 4.973,376 2.904,377 1.955,378 2.319,380 5.756,381 1.849,382 2.803,383 1.768,384 4.311,385 2.441,386 1.467,387 1.898,389 3.994,390 1.425,391 2.091,392 1.3,393 3.709,394 1.981,395 1.006,396 1.066,398 2.565,399 0.978,400 1.942,401 1.237,402 3.135,403 1.654,404 0.776,405 0.877,407 1.392,408 0.673,409 1.504,410 0.916,411 2.942,412 1.268,413 0.371,414 0.411,415 0.682,416 0.326,417 1.376,418 0.437,419 2.705,420 1.137,421 0.218,422 0.243,423 0.395,424 0.202,425 1.032,426 0.11,427 2.593,428 0.734,429 -0.209,430 -0.244,431 -0.46,432 -0.195,433 0.855,434 -0.219,435 2.497,436 0.479,437 -0.447,438 -0.551,439 -1.127,440 -0.411,441 0.66,442 -0.299,443 2.27,444 0.31,445 -0.614,446 -0.721,448 -1.332,449 -0.559,450 0.486,451 -0.543,452 2.168,453 0.155,454 -0.814,455 -0.864,457 -2.136,458 -0.776,459 10.767,460 0.468,461 0.571,462 0.025,463 29,464 1.261,465 14,466 0.609,467 15,468 0.652,469 19.29,470 0.839,471 25.833,472 0.574,473 19.605,474 0.852,475 5.572,476 0.242,477 5.529,478 0.24,479 0.167,481 0.372,485 0.997,486 1.303,487 0.874,488 1.145,489 1.143,490 1.002,491 1.043,492 0.886,493 0.841,494 0.923,495 0.628,496 0.881,497 0.965,498 1.207,499 1.013,500 1.154,501 0.834,502 1.098,503 0.904,504 1.141,505 1.116,506 1.218,507 0.914,508 1.208,509 0.826,510 1.06,511 1.116,512 1.129,513 1.131,514 1.155,515 1.068,516 0.854,517 1.003,518 0.936,519 1.07,520 0.952,521 1.408,522 0.905,523 0.969,524 0.882,525 0.948,526 0.884,527 0.742,528 1.095,529 0.93,530 1.076,531 0.803,532 1.042,533 5.5,534 0.091,535 2.444,536 1.625,537 1.711,538 0.59,539 0.485,540 0.314,541 0.271,542 0.169,543 5325,544 14041,545 2.041,546 48.9,547 7,548 9,551 4,552 2,555 1.659,556 1.89,557 3.199,558 1.822,559 1,560 1,562 1,564 69.539,565 1.545,566 3.428,567 4.297,568 4.703,569 4.881,570 5.014,571 2.653,572 4.089,573 4.497,574 3.328,575 841.895,576 7.749,577 9484.76,579 1,581 1,582 247.133,583 1.478,584 4.443,585 0.22,586 0.01,587 0.07,588 0.044,589 0.053,590 0.022,591 0.02,592 0.014,593 0.014,594 0.011,595 0.477,596 0.17,597 1,598 0.942,599 106.934,600 -0.092,601 -0.03,602 0.038,603 -0.004,604 -0.136,605 0.041,606 0.04,607 0.217,608 0.117,609 0.159,610 0.222,611 0.139,612 -0.106,613 -0.096,614 -0.081,615 -0.084,616 -0.057,617 -0.077,618 -0.058,619 -0.104,620 -0.175,621 -0.184,622 -0.058,623 -0.2,624 -0.004,625 -0.074,626 -0.161,627 -0.14,628 -0.184,629 -0.166,630 -0.098,631 0.049,632 -0.016,633 0.018,634 -0.121,635 0.021,636 -0.146,637 -0.049,638 0.046,639 0.095,640 -0.039,641 0.092,642 0.201,643 -0.15,644 0.051,645 -0.115,646 0.156,647 -0.069,648 1.408,649 2.024,650 0.696,651 17.285,652 1,653 1.137,654 2.769,655 7.668,656 0.64,657 3.258,658 3.584,659 3.85,660 4.111,661 4.357,662 4.394,663 4.443,664 4.511,665 4.673,666 4.644,667 5.545,668 0.606,669 314.43,670 3.258,671 4.796,672 5.645,673 6.526,674 7.393,675 8.278,676 9.15,677 10.035,678 10.91,679 11.795,680 8.9,684 2,690 2,695 3,696 2,700 7,702 12,711 2,716 2,718 45,719 12,720 1,721 25,723 47,724 17,725 10,726 3,727 3,729 3,730 4,736 3,737 1,739 4,741 10,742 7,743 1,753 1,754 1,757 22,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,781 3,785 1,802 2,806 2,810 23,811 2,816 4,818 2,820 1,829 4.4,834 2,836 12.167,837 8.483,838 5.167,839 2.54,840 2.336,841 1.332,842 0.97,843 4.689,844 9.379,845 3.466,846 4.06,847 4.6,848 5.124,849 5.618,850 5.71,851 5.779,852 5.981,853 6.356,854 6.598,855 1,856 37,857 8.462,859 3.516,860 7.674,861 16.313,863 13.324,865 2.174,866 50,869 1,870 211.88,871 84.175,872 99.365,874 22,877 84.175,878 233.88,879 99.365,880 21.766,881 10.138,882 94.223,883 33.571,884 41.615,885 4.227,886 211.88,888 211.88,889 183.54,890 22,893 211.88,894 22,897 14.794,898 135.175,899 33.571,901 211.88,902 121.365,903 84.175,906 211.88,907 33.98,908 50.195,910 121.365,911 211.88,912 121.365,913 84.175,915 0.579,916 0.347,917 0.19,918 0.106,919 17,920 8,921 0.085,922 4,923 1,924 1.125,925 3.453,926 183.419,927 0.125,928 16,929 104.042,933 16.029,934 6.728,935 3.408,937 121.365,938 5.896,939 8.408,943 5.672,945 65.794,946 417.42,947 31,956 45.014,957 51.149,958 0.281,959 0.624,960 0.782,961 0.856,962 0.889,963 0.913,964 4.71,965 1.006,966 5.638,967 3.994,968 4.263,969 4.745,970 1.376,971 6.447,972 4.173,973 5.912,974 0.776,975 7.198,976 2.565,977 3.892,978 4.62,980 7.322,981 3.767,982 7.223,983 0.371,984 8.851,985 1.392,986 5.861,987 6.922,988 1.159,989 10.395,990 5.706,991 8.565,992 0.218,993 10.556,994 0.682,995 6.256,996 7.556,998 12.048,999 6.066,1000 9.936,1001 -0.209,1002 12.294,1003 0.395,1004 7.716,1005 9.378,1006 0.963,1007 14.648,1008 7.509,1009 11.326,1010 -0.447,1011 14.056,1012 -0.46,1013 8.477,1014 10.373,1016 16.653,1017 8.237,1018 12.731,1019 -0.614,1020 15.834,1021 -1.127,1022 9.728,1023 11.987,1024 0.787,1025 19.074,1026 9.473,1027 3.086,1028 -0.814,1029 17.627,1030 -1.332,1031 10.671,1032 13.169,1034 21.242,1035 10.384,1036 2.913,1037 10.184,1038 19.43,1039 -2.136,1040 11.834,1041 14.68,1042 0.634,1043 23.591,1044 11.53,1045 2.387,1046 9.271,1047 21.243,1048 4.092,1049 12.864,1050 15.961,1052 25.833,1053 12.53,1054 2.217,1055 6.877,1056 23.064,1057 3.913,1058 13.993,1059 17.419,1060 0.504,1061 28.154,1062 13.638,1063 2.035,1064 6.446,1065 24.891,1066 2.876,1067 15.065,1068 18.751,1070 30.429,1071 14.682,1072 1.955,1073 5.803,1074 26.724,1075 2.818,1076 16.181,1077 20.181,1078 0.395,1079 32.739,1080 15.774,1081 1.467,1082 5.756,1083 28.561,1084 2.563,1085 17.273,1086 21.542,1088 35.031,1089 16.839,1090 5258,1091 8622,1092 16.414,1093 28.784,1094 36.824,1095 37.866,1096 38.705,1097 36.802,1098 36.865,1099 46.151,1100 3.44,1101 106.731,1102 35.019,1103 5.364,1104 5.284,1105 6.072,1106 5.13,1107 5.086,1108 7.092,1109 1.72,1110 17.078,1111 5.005,1112 12.149,1113 1.473,1114 1.515,1115 1.548,1116 1.472,1117 1.475,1118 1.846,1119 0.138,1120 4.269,1121 1.401,1122 4.025,1123 4.064,1124 3.966,1125 3.93,1126 5.282,1127 3.932,1128 3.893,1129 3.918,1130 3.85,1131 3.789,1132 4.978,1133 3.799,1134 3.543,1135 3.612,1136 3.436,1137 3.364,1138 4.913,1139 3.376,1140 3.322,1141 3.371,1142 3.178,1143 3.05,1144 4.602,1145 3.063,1146 3.196,1147 3.282,1148 3.03,1149 2.995,1150 4.46,1151 2.993,1152 3.147,1153 3.243,1154 2.965,1155 2.877,1156 4.166,1157 2.883,1158 3.082,1159 3.179,1160 2.875,1161 2.853,1162 4.012,1163 2.846,1164 2.858,1165 2.972,1166 2.642,1167 2.638,1168 3.761,1169 2.631,1170 0.177,1171 0.131,1172 0.26,1173 0.162,1174 0.123,1175 4.419,1176 0.164,1177 3.284,1178 0.034,1179 6.504,1180 0.407,1181 4.058,1182 0.12,1183 3.086,1184 4.092,1185 0.86,1186 10.184,1187 3.005,1188 1.977,1189 1.946,1190 2.11,1191 2.1,1192 1.469,1193 2.102,1194 1.856,1195 1.83,1196 1.956,1197 1.982,1198 1.116,1199 1.972,1200 1.491,1201 1.431,1202 1.65,1203 1.717,1204 0.789,1205 1.709,1206 1.243,1207 1.184,1208 1.592,1209 1.568,1210 0.741,1211 1.572,1212 1.191,1213 1.114,1214 1.543,1215 1.455,1216 0.586,1217 1.488,1218 1.127,1219 1.034,1220 1.488,1221 1.413,1222 0.556,1223 1.432,1224 1.037,1225 0.951,1226 1.319,1227 1.338,1228 0.395,1229 1.351,1230 0.84,1231 0.741,1232 1.206,1233 1.154,1234 0.118,1235 1.19,1236 3.932,1238 5.252,1240 6.779,1242 8.402,1244 10.074,1246 3.362,1250 11.702,1252 3.692,1254 10.796,1256 0.47,1262 27.256,1263 69.539,1264 154.265,1265 193.359,1266 211.624,1267 219.624,1268 225.624,1269 34.521,1270 7.043,1271 96.28,1272 96.28,1273 18,1274 12.329,1275 3.7,1276 2.807,1277 36.798,1278 77,1279 70,1280 0.239,1281 169.265,1282 289.52,1283 404.767,1284 9982,1286 16.397,1287 0.713,1288 0.587,1289 16.397,1290 13.503,1291 11.101,1292 0.444,1293 0.309,1294 7.587,1295 10.589,1296 7.349,1297 6.123,1298 11.101,1299 7.72,1300 9.908,1301 0.283,1302 0.168,1303 9.908,1304 5.883,1305 8.353,1306 0.182,1307 0.096,1308 8.353,1309 4.42,1310 7.034,1311 0.117,1312 0.054,1313 7.034,1314 3.257,1315 5.668,1316 0.074,1317 0.031,1318 5.668,1319 2.398,1320 0.37,1321 70.23,1322 0.247,1323 22.347,1324 0.672,1325 120,1326 339.386,1327 132.14,1328 325.392,1329 447.67,1330 306,1331 141,1332 331.415,1333 152.31,1334 338.294,1335 489.29,1336 315,1337 7.469}
{0 CHEMBL7403,1 1.53,2 11.615,3 2.683,4 7.198,5 102.715,6 7.987,7 0.759,8 3.879,9 4.004,10 3.501,11 3.472,12 5.091,13 3.464,14 4.334,15 4.478,16 3.872,17 3.861,18 5.559,19 3.828,20 4.594,21 4.775,22 3.898,23 3.982,24 5.739,25 3.929,26 4.624,27 4.839,28 3.794,29 3.904,30 5.776,31 3.822,32 4.571,33 4.799,34 3.617,35 3.747,36 5.742,37 3.663,38 4.431,39 4.684,40 3.438,41 3.586,42 5.504,43 3.498,44 4.255,45 4.477,46 3.467,47 3.494,48 5.535,49 3.426,50 4.169,51 4.38,52 3.317,53 3.441,54 5.336,55 3.381,56 0.056,57 0.666,58 7.604,59 3.332,60 12.23,61 4.136,62 0.171,63 1.03,64 12.733,65 5.986,66 22.338,67 7.734,68 0.2,69 1.268,70 18.61,71 7.241,72 34.623,73 9.237,74 0.169,75 1.261,76 20.593,77 8.22,78 35.12,79 11.105,80 0.323,81 1.161,82 20.877,83 7.331,84 53.657,85 9.557,86 0.225,87 0.973,88 19.221,89 6.631,90 40.979,91 8.991,92 0.277,93 0.818,94 15.251,95 5.8,96 47.997,97 7.898,98 0.22,99 0.777,100 13.59,101 4.621,102 38.039,103 5.793,104 10,105 41,106 0.261,107 0.574,108 0.72,109 0.86,110 0.879,111 0.895,112 3.304,113 0.847,114 -4.85,115 -4.76,116 -4.46,119 46.5,121 1,139 10,140 4,141 1,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 14,169 1,170 4,172 3,173 4,175 4,178 18,180 1,182 4,187 4,189 16,191 1,193 5,195 1,196 1,197 1,198 5,200 2,201 10,204 3,205 1,207 5,210 2,211 1,212 5,214 1,215 8,218 3,221 2,226 2,229 7,233 2,234 4,236 1,237 1,238 1,239 3,240 1,241 8,243 1,246 3,251 2,254 8,256 1,260 4,262 1,263 1,265 3,268 8,270 3,273 948,274 17.549,275 17.549,276 17.549,277 17.549,278 17.549,279 14.791,280 16.74,281 10.315,282 17.757,283 14.359,284 14.359,285 14.359,286 14.359,287 14.359,288 10.211,289 22.228,290 4.963,291 14.699,292 3.896,293 2.065,294 1.209,295 0.39,296 0.279,297 0.186,298 4.004,300 1,301 1,302 1,303 668,304 3,307 272.499,311 231.222,314 1.722,315 22.992,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 55.5,327 302,328 4.542,329 3.63,330 6.503,331 4.049,332 3.081,333 4.491,334 1.987,335 10.178,336 2.987,337 4.409,338 3.11,339 6.185,340 3.931,341 2.931,342 4.337,343 0.324,344 9.238,345 2.93,346 3.896,347 2.936,348 5.53,349 3.564,350 2.58,351 3.297,353 7.508,354 2.54,355 3.689,356 2.484,357 5.276,358 3.283,359 2.31,360 3.11,362 6.766,363 2.242,364 3.449,365 2.374,366 5.063,367 3.007,368 2.064,369 2.811,371 5.85,372 1.948,373 3.419,374 2.151,375 4.99,376 2.94,377 1.987,378 2.769,380 5.791,381 1.887,382 3.218,383 2.013,384 4.609,385 2.759,386 1.755,387 2.439,389 4.861,390 1.744,391 3.118,392 1.618,393 4.4,394 2.618,395 1.618,396 2.427,398 4.338,399 1.618,400 2.884,401 1.427,402 3.709,403 2.394,404 1.393,405 2.065,407 2.996,408 1.394,409 2.452,410 1.058,411 3.615,412 1.981,413 1.007,414 1.431,415 2.565,416 0.978,417 2.187,418 0.843,419 3.187,420 1.701,421 0.701,422 1.034,423 1.622,424 0.701,425 1.555,426 0.658,427 3.02,428 1.185,429 0.235,430 0.293,431 0.615,432 0.223,433 1.296,434 0.432,435 2.722,436 0.924,437 -0.077,438 -0.099,439 -0.198,440 -0.076,441 1.011,442 -0.021,443 2.566,444 0.555,445 -0.398,446 -0.528,448 -1.056,449 -0.374,450 0.888,451 -0.297,452 2.445,453 0.451,454 -0.496,455 -0.627,457 -1.268,458 -0.47,459 12.333,460 0.474,461 0.677,462 0.026,463 39.75,464 1.529,465 23,466 0.885,467 16.75,468 0.644,469 16.047,470 0.617,471 26.067,472 0.606,473 28.496,474 1.096,475 7.924,476 0.305,477 4.656,478 0.179,479 0.092,481 0.365,485 0.923,486 1.015,487 0.766,488 0.797,489 0.865,490 0.752,491 0.404,492 0.96,493 0.747,494 1.004,495 0.472,496 0.946,497 1.226,498 1.076,499 1.092,500 1.021,501 1.114,502 1.034,503 0.788,504 1.15,505 0.988,506 1.209,507 0.739,508 1.145,509 1.398,510 0.936,511 1.19,512 1.066,513 1.588,514 1.102,515 1.275,516 0.884,517 0.996,518 0.918,519 1.341,520 0.918,521 0.74,522 0.882,523 0.785,524 0.96,525 0.949,526 0.909,527 1.763,528 0.806,529 1.209,530 0.831,531 1.827,532 0.925,533 6,534 0.132,535 2.444,536 1.875,537 1.693,538 0.604,539 0.566,540 0.212,541 0.311,542 0.102,543 8949,544 24054,545 2.124,546 39.5,548 10,551 5,552 2,555 1.685,556 2,557 3.497,558 2.52,559 1,560 1,564 65.794,565 1.53,566 3.361,567 4.218,568 5.037,569 5.147,570 5.24,571 2.936,572 4.239,573 4.676,574 3.64,575 1183.08,576 8.07,577 15050.5,579 1,581 1,582 233.329,583 1.37,584 4.637,585 0.207,586 0.007,587 0.06,588 0.046,589 0.048,590 0.022,591 0.024,592 0.008,593 0.014,594 0.005,595 0.44,596 0.17,597 1,598 0.54,599 128.684,600 -0.162,601 0.106,602 0.002,603 0.137,604 -0.193,605 0.108,606 0.322,607 0.094,608 0.063,609 -0.035,610 0.152,611 -0.034,612 -0.227,613 -0.05,614 -0.191,615 -0.066,616 -0.177,617 -0.112,618 0.078,619 -0.195,620 -0.027,621 -0.219,622 0.124,623 -0.154,624 -0.097,625 0.026,626 -0.162,627 -0.102,628 -0.162,629 -0.137,630 -0.111,631 0.031,632 0.071,633 0.08,634 -0.098,635 0.104,636 0.445,637 0.027,638 0.243,639 0.052,640 0.386,641 0.103,642 -0.38,643 0.184,644 -0.209,645 0.126,646 -0.327,647 0.011,648 1.769,649 5.399,650 0.769,651 22.379,652 1.003,653 1.121,654 3.617,655 13.084,656 0.699,657 3.401,658 3.738,659 3.989,660 4.277,661 4.511,662 4.522,663 4.615,664 4.673,665 4.771,666 4.635,667 6.716,668 0.674,669 343.42,670 3.401,671 4.949,672 5.796,673 6.678,674 7.538,675 8.422,676 9.287,677 10.17,678 11.038,679 11.92,680 11.6,684 2,687 1,690 2,694 4,695 10,696 2,700 4,702 22,711 2,718 43,719 23,720 3,721 29,723 46,724 20,725 18,726 6,727 10,729 4,730 6,739 1,741 19,742 1,744 1,748 1,751 1,753 1,754 1,757 17,758 6,759 5,760 6,764 5,769 0.5,770 1,776 1,781 4,785 2,790 1,802 2,810 26,811 2,816 1,817 1,829 2.3,832 1,836 13,837 7.567,838 5.583,839 2.36,840 4.435,841 1.585,842 1.055,843 4.152,844 12.021,845 3.738,846 4.419,847 5.042,848 5.697,849 6.308,850 6.584,851 6.967,852 7.316,853 7.663,854 7.455,855 0.875,856 41,857 9.556,859 4.123,860 7.808,861 18.024,863 14.878,865 2.308,866 60,869 1,870 141.253,871 122.034,872 117.376,874 25.145,877 122.034,878 166.398,879 117.376,881 20.545,882 160.557,883 63.421,884 15.805,885 4.227,886 141.253,888 141.253,889 239.41,890 25.145,893 141.253,894 25.145,897 24.589,898 181.251,899 33.571,901 141.253,902 142.521,903 122.034,906 141.253,907 27.272,908 94.762,909 18.011,910 124.51,911 141.253,912 142.521,913 122.034,915 0.586,916 0.336,917 0.189,918 0.105,919 21,920 9,921 0.065,922 3,923 2,924 1.2,925 3.887,926 218.322,927 0.2,928 20,929 122.211,933 16.308,934 6.619,935 3.466,936 3.567,937 142.521,938 19.377,939 8.078,943 2.016,945 83.805,946 405.808,947 41,951 12.399,954 -0.102,956 43.138,957 48.192,958 0.282,959 0.619,960 0.777,961 0.928,962 0.949,963 0.966,964 4.959,965 1.618,966 5.784,967 4.861,968 4.419,969 5.106,970 2.076,971 6.578,972 4.376,973 6.197,974 1.393,975 7.328,976 4.338,977 4.007,978 4.997,979 1.593,980 7.391,981 3.942,982 7.518,983 1.007,984 8.966,985 2.996,986 5.999,987 7.415,988 3.1,989 10.482,990 5.916,991 8.872,992 0.701,993 10.657,994 2.565,995 6.347,996 8.099,997 3.168,998 12.098,999 6.245,1000 10.253,1001 0.235,1002 12.383,1003 1.622,1004 7.834,1005 10.007,1006 4.312,1007 14.702,1008 7.716,1009 11.656,1010 -0.077,1011 14.134,1012 0.615,1013 8.561,1014 11.097,1015 4.654,1016 16.686,1017 8.425,1018 13.075,1019 -0.398,1020 15.903,1021 -0.198,1022 9.827,1023 12.778,1024 5.601,1025 19.104,1026 9.676,1027 3.081,1028 -0.496,1029 17.687,1030 -1.056,1031 10.747,1032 14.076,1033 6.091,1034 21.259,1035 10.576,1036 2.931,1037 10.178,1038 19.483,1039 -1.268,1040 11.916,1041 15.651,1042 6.927,1043 23.603,1044 11.729,1045 2.58,1046 9.238,1047 21.289,1048 4.491,1049 12.931,1050 17.05,1051 7.5,1052 25.837,1053 12.722,1054 2.31,1055 7.508,1056 23.104,1057 4.337,1058 14.059,1059 18.577,1060 8.273,1061 28.154,1062 13.832,1063 2.064,1064 6.766,1065 24.926,1066 3.297,1067 15.121,1068 20.024,1069 8.894,1070 30.425,1071 14.872,1072 1.987,1073 5.85,1074 26.754,1075 3.11,1076 16.234,1077 21.53,1078 9.631,1079 32.732,1080 15.964,1081 1.755,1082 5.791,1083 28.587,1084 2.811,1085 17.319,1086 23,1087 10.279,1088 35.021,1089 17.026,1090 8340,1091 13809,1092 19.592,1093 30.051,1094 43.705,1095 44.665,1096 44.311,1097 43.323,1098 43.324,1099 61.009,1100 4.622,1101 124.656,1102 42.382,1103 5.408,1104 5.63,1105 6.19,1106 5.121,1107 5.081,1108 7.491,1109 3.497,1110 17.072,1111 4.987,1112 11.301,1113 1.507,1114 1.54,1115 1.528,1116 1.494,1117 1.494,1118 2.104,1119 0.159,1120 4.298,1121 1.461,1122 4.103,1123 4.129,1124 4.06,1125 4.055,1126 7.429,1127 4.051,1128 4.046,1129 4.076,1130 4.012,1131 3.961,1132 5.308,1133 3.972,1134 3.647,1135 3.689,1136 3.584,1137 3.512,1138 4.982,1139 3.516,1140 3.474,1141 3.533,1142 3.4,1143 3.298,1144 4.896,1145 3.324,1146 3.281,1147 3.326,1148 3.196,1149 3.107,1150 4.704,1151 3.12,1152 3.131,1153 3.236,1154 3.021,1155 2.94,1156 4.324,1157 2.937,1158 3.038,1159 3.092,1160 2.924,1161 2.895,1162 4.213,1163 2.909,1164 2.855,1165 2.94,1166 2.722,1167 2.651,1168 3.88,1169 2.663,1170 0.157,1171 0.125,1172 0.224,1173 0.14,1174 0.106,1175 4.542,1176 0.155,1177 3.63,1178 0.069,1179 6.503,1180 0.351,1181 4.049,1182 0.103,1183 3.081,1184 4.491,1185 1.987,1186 10.178,1187 2.987,1188 2.079,1189 2.061,1190 2.166,1191 2.14,1192 1.312,1193 2.147,1194 2.006,1195 1.979,1196 2.067,1197 2.118,1198 1.176,1199 2.106,1200 1.605,1201 1.569,1202 1.762,1203 1.781,1204 0.918,1205 1.767,1206 1.411,1207 1.354,1208 1.543,1209 1.619,1210 0.54,1211 1.614,1212 1.227,1213 1.181,1214 1.432,1215 1.437,1216 0.424,1217 1.435,1218 1.06,1219 1.004,1220 1.296,1221 1.386,1222 0.334,1223 1.371,1224 1.036,1225 0.968,1226 1.265,1227 1.199,1228 0.231,1229 1.226,1230 0.823,1231 0.737,1232 1.114,1233 1.075,1234 0.015,1235 1.096,1236 4.078,1238 5.407,1240 6.932,1242 8.552,1244 10.219,1250 11.486,1252 0.288,1253 2.891,1262 28.983,1263 65.794,1264 144.526,1265 181.355,1266 216.574,1267 221.329,1268 225.329,1269 37.809,1270 7.586,1271 106.92,1272 106.92,1273 24,1274 12.457,1275 4.585,1276 3.7,1277 38.306,1278 107,1279 90,1280 0.175,1281 178.81,1282 296.27,1283 428.056,1284 22271,1286 18.096,1287 0.696,1288 0.536,1289 18.096,1290 13.938,1291 12.581,1292 0.434,1293 0.282,1294 8.107,1295 12.243,1296 7.934,1297 6.581,1298 12.581,1299 8.186,1300 11.717,1301 0.286,1302 0.149,1303 11.717,1304 6.105,1305 9.487,1306 0.179,1307 0.079,1308 9.487,1309 4.205,1310 8.404,1311 0.118,1312 0.042,1313 8.404,1314 2.988,1315 6.791,1316 0.075,1317 0.023,1318 6.791,1319 2.04,1320 0.28,1321 77.863,1322 0.226,1323 25.395,1324 0.464,1325 140,1326 381.983,1327 150.651,1328 384.134,1329 532.44,1330 358,1331 164,1332 402.214,1333 173.155,1334 412.598,1335 599.38,1336 389,1337 8.3}
{0 CHEMBL7452,1 1.493,2 9.905,3 2.862,4 8.193,5 85.149,6 6.937,7 0.522,8 3.808,9 3.946,10 3.311,11 3.322,12 4.891,13 3.295,14 4.339,15 4.524,16 3.658,17 3.728,18 5.36,19 3.666,20 4.591,21 4.807,22 3.692,23 3.89,24 5.496,25 3.793,26 4.691,27 4.944,28 3.553,29 3.878,30 5.573,31 3.732,32 4.666,33 4.949,34 3.368,35 3.777,36 5.488,37 3.609,38 4.548,39 4.85,40 3.161,41 3.598,42 5.337,43 3.424,44 4.282,45 4.574,46 3.114,47 3.368,48 5.091,49 3.226,50 4.047,51 4.298,52 3.02,53 3.123,54 5.062,55 3.051,56 0.048,57 0.621,58 9.305,59 3.573,60 10.311,61 5.076,62 0.202,63 0.969,64 16.717,65 6.612,66 24.459,67 9.125,68 0.163,69 1.191,70 21.858,71 7.845,72 21.077,73 11.572,74 0.239,75 1.234,76 24.806,77 8.771,78 35.292,79 13.107,80 0.225,81 1.153,82 24.66,83 8.014,84 34.175,85 12.533,86 0.258,87 0.965,88 22.453,89 7.026,90 34.356,91 10.953,92 0.122,93 0.743,94 16.916,95 5.783,96 19.841,97 8.805,98 0.189,99 0.61,100 13.522,101 3.555,102 24.563,103 5.558,104 11,105 32,106 0.266,107 0.616,108 0.762,109 0.829,110 0.847,111 0.847,112 3.103,113 0.938,114 -4.26,115 -4.2,116 -3.97,119 39,121 4,122 1,124 1,139 4,140 2,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 5,172 3,173 3,175 1,178 13,180 1,182 5,187 1,189 12,191 1,193 4,195 1,196 1,197 1,198 4,200 2,201 8,204 4,205 1,207 4,212 4,215 8,218 4,221 3,226 2,229 4,231 2,234 6,239 3,243 3,246 6,251 3,256 3,265 2,270 2,273 538,274 14.196,275 14.196,276 14.196,277 14.196,278 14.196,279 12.643,280 18.153,281 8.292,282 14.553,283 11.299,284 11.299,285 11.299,286 11.299,287 11.299,288 8.936,289 17.896,290 3.898,291 11.79,292 3.864,293 1.897,294 1.08,295 0.701,296 0.604,297 0.604,298 3.785,300 1,301 1,302 1,303 446,304 2.345,307 168.91,311 88.91,314 1.442,315 15.941,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 45,327 208,328 4.418,329 3.273,330 6.503,331 4.052,332 3.081,333 4.092,334 0.86,335 10.179,336 2.997,337 4.047,338 2.914,339 5.598,340 3.671,341 2.689,342 3.639,344 7.723,345 2.643,346 3.612,347 2.658,348 5.302,349 3.361,350 2.404,351 2.865,353 6.825,354 2.299,355 3.459,356 2.342,357 5.066,358 3.065,359 2.128,360 2.761,362 6.043,363 1.989,364 3.313,365 2.221,366 5.033,367 2.951,368 2.006,369 2.558,371 5.796,372 1.889,373 3.082,374 1.984,375 4.865,376 2.824,377 1.859,378 2.155,380 5.487,381 1.785,382 2.5,383 1.302,384 3.709,385 2,386 1.007,387 1.5,389 2.565,390 1,391 2.091,392 1.146,393 3.414,394 1.981,395 1,396 1.066,398 2.275,399 0.979,400 1.749,401 1,402 3.089,403 1.502,404 0.608,405 0.671,407 1.12,408 0.536,409 1.387,410 0.447,411 2.736,412 1.163,413 0.222,414 0.248,415 0.475,416 0.209,417 1.031,418 0.074,419 2.616,420 0.735,421 -0.21,422 -0.247,423 -0.463,424 -0.197,425 0.855,426 -0.284,427 2.496,428 0.478,429 -0.448,430 -0.553,431 -1.147,432 -0.412,433 0.533,434 -0.447,435 2.226,436 0.246,437 -0.71,438 -0.834,439 -1.689,440 -0.668,441 0.5,442 -0.577,443 2,444 0.146,445 -0.815,446 -0.868,448 -2.276,449 -0.788,450 0.265,451 -0.772,452 1.728,454 -1,455 -1.232,457 -2.885,458 -1,459 9.933,460 0.473,461 0.52,462 0.025,463 27,464 1.286,465 13.5,466 0.643,467 13.5,468 0.643,469 16.371,470 0.78,471 23.067,472 0.563,473 16.89,474 0.804,475 5.072,476 0.242,477 5.08,478 0.242,479 0.131,481 0.352,485 1.031,486 1.222,487 0.888,488 1.053,489 1.187,490 0.959,491 0.837,492 0.941,493 0.854,494 1.009,495 0.506,496 0.963,497 0.958,498 1.178,499 1.052,500 1.145,501 0.823,502 1.116,503 0.755,504 1.098,505 1.091,506 1.184,507 0.835,508 1.185,509 0.775,510 1.009,511 1.08,512 1.064,513 1.161,514 1.093,515 0.969,516 0.793,517 1.02,518 0.867,519 1.146,520 0.931,521 0.666,522 1.001,523 0.72,524 0.94,525 0.558,526 0.858,527 1.873,528 1.037,529 1.106,530 0.866,531 1.486,532 0.886,533 5,534 0.062,535 2,536 1.313,537 1.4,538 0.361,539 0.464,540 0.217,541 0.135,542 0.164,543 4483,544 11283,545 2.074,546 48.8,547 7,548 7,551 4,552 2,555 1.627,556 1.938,557 3.261,558 1.874,559 1,560 1,562 1,564 61.221,565 1.493,566 3.461,567 4.278,568 4.656,569 4.754,570 4.754,571 2.737,572 3.88,573 4.362,574 3.373,575 708.259,576 7.452,577 7481.74,578 1,579 1,581 1,582 219.66,583 1.418,584 4.322,585 0.217,586 0.008,587 0.063,588 0.041,589 0.054,590 0.017,591 0.027,592 0.013,593 0.009,594 0.015,595 0.464,596 0.33,597 1,598 0.819,599 95.338,600 -0.107,601 0.028,602 0.03,603 0.053,604 -0.154,605 0.066,606 0.158,607 0.167,608 0.088,609 0.07,610 0.28,611 0.058,612 -0.108,613 -0.112,614 -0.113,615 -0.105,616 -0.064,617 -0.109,618 -0.001,619 -0.105,620 -0.148,621 -0.177,622 -0.001,623 -0.186,624 -0.085,625 -0.049,626 -0.127,627 -0.098,628 -0.202,629 -0.111,630 -0.118,631 0.11,632 -0.041,633 0.076,634 -0.18,635 0.039,636 0.111,637 -0.135,638 0.248,639 0.051,640 0.189,641 0.149,642 -0.276,643 -0.058,644 -0.06,645 0.034,646 -0.156,647 0.018,648 1.389,649 1.988,650 0.762,651 16.268,652 0.995,653 1.135,654 3.03,655 9.18,656 0.648,657 3.178,658 3.497,659 3.738,660 3.989,661 4.234,662 4.234,663 4.317,664 4.382,665 4.489,666 4.466,667 5.58,668 0.61,669 284.4,670 3.178,671 4.71,672 5.549,673 6.422,674 7.277,675 8.153,676 9.015,677 9.892,678 10.759,679 11.636,680 9.8,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 1,718 41,719 12,720 1,721 23,723 43,724 16,725 10,726 2,727 4,729 3,730 4,736 3,737 1,739 4,741 10,742 6,743 1,753 1,754 1,757 20,758 5,759 4,760 5,764 4,769 0.667,770 1,776 1,781 3,785 1,802 2,806 1,810 21,811 2,816 4,818 1,820 1,829 2.4,834 1,836 10.833,837 7.4,838 4.639,839 2.381,840 2.245,841 1.327,842 0.988,843 3.974,844 9.099,845 3.401,846 3.989,847 4.505,848 5.021,849 5.519,850 5.556,851 5.657,852 5.879,853 6.222,854 6.479,855 0.857,856 32,857 7.729,859 3.234,860 7.635,861 15.004,863 12.432,865 2.135,866 44.833,867 0.001,869 1,870 188.338,871 77.525,872 99.365,874 11,877 77.525,878 199.338,879 99.365,880 10.883,881 10.138,882 103.699,883 33.571,884 25.371,885 4.227,886 188.338,888 188.338,889 176.89,890 11,893 188.338,894 11,897 14.794,898 128.525,899 33.571,901 188.338,902 110.365,903 77.525,906 188.338,907 28.736,908 48.788,910 110.365,911 188.338,912 110.365,913 77.525,915 0.581,916 0.337,917 0.18,918 0.101,919 16,920 7,921 0.07,922 3,923 1,924 1.125,925 3.369,926 158.964,927 0.125,928 16,929 86.239,933 14.146,934 5.9,935 3.106,937 110.365,938 8.253,939 8.388,943 5.122,945 65.794,946 376.227,947 29,956 40.803,957 46.524,958 0.279,959 0.646,960 0.798,961 0.869,962 0.887,963 0.887,964 4.635,965 1,966 5.533,967 2.565,968 4.174,969 4.673,970 0.908,971 6.315,972 4.101,973 5.83,974 0.608,975 7.074,976 2.275,977 3.761,978 4.477,980 7.125,981 3.649,982 7.13,983 0.222,984 8.706,985 1.12,986 5.746,987 6.824,988 0.739,989 10.189,990 5.615,991 8.459,992 -0.21,993 10.39,994 0.475,995 6.089,996 7.379,998 11.792,999 5.921,1000 9.815,1001 -0.448,1002 12.108,1003 -0.463,1004 7.566,1005 9.242,1006 0.593,1007 14.389,1008 7.387,1009 11.19,1010 -0.71,1011 13.849,1012 -1.147,1013 8.281,1014 10.168,1016 16.371,1017 8.069,1018 12.581,1019 -0.815,1020 15.61,1021 -1.689,1022 9.541,1023 11.811,1024 0.469,1025 18.795,1026 9.317,1027 3.081,1028 -1,1029 17.386,1030 -2.276,1031 10.452,1032 12.942,1034 20.961,1035 10.196,1036 2.689,1037 10.179,1038 19.176,1039 -2.885,1040 11.618,1041 14.472,1042 0.366,1043 23.319,1044 11.346,1045 2.404,1046 7.723,1047 20.977,1048 4.092,1049 12.629,1050 15.717,1052 25.569,1053 12.327,1054 2.128,1055 6.825,1056 22.789,1057 3.639,1058 13.758,1059 17.186,1060 0.283,1061 27.903,1062 13.436,1063 2.006,1064 6.043,1065 24.61,1066 2.865,1067 14.82,1068 18.498,1070 30.191,1071 14.468,1072 1.859,1073 5.796,1074 26.439,1075 2.761,1076 15.936,1077 19.934,1078 0.217,1079 32.515,1080 15.561,1081 1.007,1082 5.487,1083 28.274,1084 2.558,1085 17.024,1086 21.283,1088 34.82,1089 16.62,1090 4379,1091 7027,1092 15.315,1093 26.569,1094 34.098,1095 34.61,1096 35.073,1097 34.014,1098 34.009,1099 43.111,1100 1.72,1101 96.972,1102 32.654,1103 5.363,1104 5.273,1105 6.055,1106 5.124,1107 5.081,1108 7.092,1109 1.72,1110 17.073,1111 4.997,1112 9.991,1113 1.483,1114 1.505,1115 1.525,1116 1.479,1117 1.479,1118 1.874,1119 0.075,1120 4.216,1121 1.42,1122 4.021,1123 4.063,1124 3.958,1125 3.929,1126 5.282,1127 3.928,1128 3.884,1129 3.914,1130 3.831,1131 3.789,1132 4.978,1133 3.795,1134 3.545,1135 3.613,1136 3.44,1137 3.365,1138 4.864,1139 3.378,1140 3.273,1141 3.338,1142 3.113,1143 3.051,1144 4.467,1145 3.052,1146 3.165,1147 3.263,1148 3.016,1149 2.936,1150 4.37,1151 2.939,1152 3.054,1153 3.158,1154 2.857,1155 2.807,1156 4.003,1157 2.809,1158 2.854,1159 2.958,1160 2.687,1161 2.735,1162 3.734,1163 2.715,1164 2.838,1165 2.925,1166 2.599,1167 2.574,1168 3.674,1169 2.566,1170 0.192,1171 0.142,1172 0.283,1173 0.176,1174 0.134,1175 4.418,1176 0.178,1177 3.273,1178 0.037,1179 6.503,1180 0.443,1181 4.052,1182 0.13,1183 3.081,1184 4.092,1185 0.86,1186 10.179,1187 2.997,1188 1.979,1189 1.945,1190 2.116,1191 2.099,1192 1.469,1193 2.103,1194 1.859,1195 1.829,1196 1.972,1197 1.976,1198 1.114,1199 1.975,1200 1.492,1201 1.432,1202 1.651,1203 1.719,1204 0.789,1205 1.71,1206 1.233,1207 1.165,1208 1.569,1209 1.519,1210 0.741,1211 1.538,1212 1.146,1213 1.062,1214 1.482,1215 1.415,1216 0.57,1217 1.429,1218 1.011,1219 0.917,1220 1.305,1221 1.323,1222 0.38,1223 1.34,1224 0.886,1225 0.821,1226 1.196,1227 1.142,1228 0.218,1229 1.178,1230 0.812,1231 0.696,1232 1.181,1233 1.062,1234 0.083,1235 1.107,1236 3.85,1238 5.165,1240 6.681,1242 8.29,1244 9.947,1246 1.682,1250 11.642,1252 3.989,1254 5.188,1256 0.57,1262 25.015,1263 61.221,1264 141.885,1265 175.395,1266 190.905,1267 194.905,1268 194.905,1269 28.288,1270 6.854,1271 87.05,1272 87.05,1273 18,1274 12.176,1275 3.7,1276 2.807,1277 32.368,1278 70,1279 77,1280 0.231,1281 155.677,1282 263.43,1283 371.611,1284 7934,1286 14.82,1287 0.706,1288 0.58,1289 14.82,1290 12.173,1291 10.152,1292 0.441,1293 0.313,1294 7.1,1295 9.793,1296 6.905,1297 5.739,1298 10.152,1299 7.191,1300 9.188,1301 0.287,1302 0.174,1303 9.188,1304 5.553,1305 7.577,1306 0.185,1307 0.1,1308 7.577,1309 4.108,1310 6.332,1311 0.119,1312 0.057,1313 6.332,1314 2.999,1315 5.148,1316 0.076,1317 0.033,1318 5.148,1319 2.23,1320 0.361,1321 63.422,1322 0.256,1323 20.909,1324 0.63,1325 110,1326 283.65,1327 119.262,1328 279.204,1329 386.74,1330 262,1331 128,1332 289.869,1333 136.32,1334 296.861,1335 428.66,1336 278,1337 7.114}
{0 CHEMBL747,1 1.633,2 6.882,3 2.181,4 4.757,5 68.84,6 8.121,7 0.333,8 3.541,9 3.691,10 3.165,11 3.026,12 4.713,13 3.013,14 4.025,15 4.221,16 3.611,17 3.4,18 5.217,19 3.369,20 4.274,21 4.485,22 3.631,23 3.577,24 5.361,25 3.528,26 4.365,27 4.588,28 3.583,29 3.618,30 5.496,31 3.523,32 4.448,33 4.709,34 3.275,35 3.533,36 5.558,37 3.404,38 4.401,39 4.756,40 2.978,41 3.316,42 5.134,43 3.07,44 3.709,45 4.002,46 3.093,47 2.783,48 4.836,49 2.593,50 3.112,51 3.345,52 2.037,53 2.221,54 4.211,55 1.928,56 0.059,57 0.487,58 6.083,59 2.204,60 10.678,61 3.221,62 0.219,63 0.724,64 11.623,65 4.178,66 21.678,67 5.888,68 0.292,69 0.864,70 17.209,71 4.082,72 25.44,73 6.201,74 0.21,75 0.916,76 18.499,77 6.064,78 29.1,79 8.852,80 0.396,81 0.903,82 19.192,83 4.614,84 52.649,85 7.577,86 0.277,87 0.632,88 24.455,89 6.874,90 38.365,91 10.605,92 0.222,93 0.274,94 14.117,95 3.267,96 27.197,97 4.9,98 0.18,99 0.095,100 14.424,101 2.249,102 20.751,103 2.746,104 26,105 27,106 0.313,107 0.682,108 0.719,109 0.768,110 0.768,111 0.768,112 2.91,113 0.922,114 -4.25,115 -4.19,116 -3.96,119 35.5,120 2,130 1,139 4,141 2,154 2,157 2,158 2,159 2,166 2,169 3,170 6,172 4,173 4,178 5,182 2,189 4,193 6,195 2,196 2,197 1,198 6,200 2,201 4,204 6,205 1,207 5,212 2,215 4,218 2,226 2,231 2,234 2,239 3,241 2,243 3,265 1,270 1,273 305,274 10.679,275 10.679,276 10.679,277 10.679,278 10.679,279 9.432,280 14.852,281 6.06,282 11.113,283 8.864,284 8.864,285 8.864,286 8.864,287 8.864,288 7.061,289 20.611,290 2.866,291 9.656,292 3.321,293 1.404,294 1.21,295 0.952,296 0.952,297 0.952,298 3.549,299 1,301 1,302 1,303 239,304 2.345,307 104.395,314 0.858,315 14.957,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 36.833,327 117,328 4.618,329 3.837,330 7.516,331 4.433,332 3.502,333 3.908,334 1.441,335 13.401,336 3.259,337 3.967,338 2.947,339 5.886,340 3.533,341 2.586,342 3.496,343 1.053,344 8.082,345 2.442,346 3.624,347 2.789,348 5.253,349 3.214,350 2.303,351 2.806,352 0.67,353 6.498,354 2.09,355 3.534,356 2.727,357 5.06,358 3.07,359 2.184,360 2.744,361 0.087,362 6.02,363 1.891,364 3.136,365 2.13,366 4.742,367 2.639,368 1.728,369 2.264,371 4.877,372 1.531,373 2.5,374 1,375 3.517,376 2,377 1,378 1.5,380 2.275,381 1,382 1.632,383 0.806,384 3.414,385 1.257,386 0.355,387 0.417,389 0.967,390 0.304,391 1.044,392 0.259,393 3.082,394 0.636,395 -0.274,396 -0.324,398 -0.785,399 -0.237,400 0.862,401 0.165,402 2.473,403 0.444,404 -0.39,405 -0.462,407 -0.947,408 -0.279,409 0.5,410 -0.233,411 2.229,412 0.238,413 -0.666,414 -0.708,415 -1.548,416 -0.597,417 0.472,418 -0.913,419 2,421 -1,422 -1,423 -3,424 -1,426 -1,427 2,429 -1,430 -1.5,431 -3,432 -1,433 -0.076,434 -1,435 1.644,436 -0.551,437 -1.303,438 -1.509,439 -3.137,440 -1.007,441 -0.314,442 -1.03,443 1.503,444 -0.642,445 -1.519,446 -1.648,447 -0.236,448 -4.18,449 -1.366,450 -0.442,451 -1.222,452 1.237,453 -0.695,454 -1.613,455 -2.019,456 -0.452,457 -5.275,458 -1.483,459 8.214,460 0.483,461 0.687,462 0.04,463 21,464 1.235,465 9.5,466 0.559,467 11.5,468 0.676,469 13.569,470 0.798,471 18.786,472 0.606,473 13.774,474 0.81,475 4.173,476 0.245,477 3.726,478 0.219,479 0.306,480 0.061,481 0.292,485 1.009,486 1.484,487 0.646,488 0.936,489 1.259,490 0.884,491 0.413,492 0.959,493 0.521,494 0.823,495 0.297,496 0.779,497 1.609,498 1.04,499 1.114,500 0.825,501 1.144,502 0.916,503 0.663,504 1.337,505 0.832,506 1.246,507 0.567,508 1.173,509 1.367,510 1.031,511 0.996,512 1.052,513 1.757,514 1.277,515 0.46,516 0.695,517 0.495,518 0.678,519 0.563,520 0.709,521 0.566,522 0.851,523 0.944,524 0.973,525 0.627,526 0.871,527 3.208,528 0.609,529 4.541,530 2.147,531 3.033,532 1.671,533 5.5,535 2.667,536 2.438,537 1.258,538 0.444,539 0.484,540 0.062,541 0.066,543 1934,544 6475,545 1.914,546 45.2,548 4,551 4,554 6,555 1.576,556 1.714,557 2.704,558 2.178,560 1,561 1,562 1,564 50.614,565 1.633,566 3.551,567 3.744,568 4.002,569 4.002,570 4.002,571 2.108,572 3.572,573 4.06,574 2.807,575 381.807,576 6.893,577 3336.25,578 1,579 1,581 1,582 153.58,583 1.809,584 3.954,585 0.306,587 0.099,588 0.09,589 0.048,590 0.028,591 0.044,592 0.008,593 0.033,595 0.655,596 0.33,597 1,598 0.76,599 68.387,600 -0.189,601 -0.187,602 -0.006,603 0.015,604 -0.368,605 0.036,606 0.469,607 0.211,608 0.222,609 0.125,610 0.427,611 0.16,612 -0.488,613 0.118,614 -0.235,615 0.071,616 -0.334,617 -0.041,618 0.108,619 -0.293,620 -0.06,621 -0.272,622 0.276,623 -0.194,624 -0.411,625 0.028,626 -0.354,627 -0.243,628 -0.579,629 -0.42,630 0.203,631 -0.015,632 0.345,633 0.291,634 0.173,635 0.35,636 0.535,637 -0.132,638 0.473,639 0.113,640 0.536,641 0.193,642 -0.891,643 -0.086,644 -1.224,645 -0.667,646 -0.924,647 -0.518,648 1.816,649 1.897,650 0.706,651 8.768,652 1.008,653 1.146,654 3.021,655 9.129,656 0.668,657 2.944,658 3.332,659 3.526,660 3.829,661 3.892,662 3.912,663 3.784,664 3.611,665 3.434,666 3.135,667 4.006,668 0.631,669 251.75,670 2.944,671 4.511,672 5.352,673 6.271,674 7.13,675 8.055,676 8.922,677 9.848,678 10.719,679 11.645,680 16.1,681 2,686 1,689 2,695 4,700 2,702 6,714 1,717 1,718 31,719 8,720 1,721 18,723 32,724 11,725 6,726 2,727 4,728 2,729 2,730 2,731 1,733 1,734 2,736 1,739 1,741 8,742 3,744 2,750 2,751 2,754 1,757 14,758 5,759 4,760 6,761 1,764 5,769 1,781 2,797 2,802 2,806 2,807 1,810 17,811 2,821 1,822 1,828 1,836 9.917,837 5.993,838 3.597,839 1.608,840 1.813,841 1.304,842 0.945,843 3.015,844 7.781,845 3.178,846 3.773,847 4.223,848 4.761,849 5.182,850 5.316,851 5.483,852 5.701,853 5.825,854 5.91,855 0.8,856 27,857 6.203,859 2.577,860 7.855,861 11.59,863 9.198,865 2.355,866 40.028,867 0.001,870 117.711,871 65.611,872 102.49,873 39.149,877 65.611,878 156.86,879 102.49,880 17.65,881 65.794,882 37.905,884 42.953,885 3.798,886 117.711,887 39.149,888 117.711,889 168.101,891 39.149,893 47.084,894 70.627,897 117.016,898 51.085,899 39.149,901 117.711,902 102.49,903 104.76,906 117.711,907 10.056,908 58.68,910 138.514,911 117.711,912 102.49,913 104.76,915 0.605,916 0.338,917 0.188,918 0.091,919 14,920 7,921 0.031,922 1,924 1,925 2.74,926 119.831,928 12,929 63.487,933 12.204,934 4.2,935 2.375,937 102.49,938 7.316,943 1.541,945 65.794,946 324.96,947 23,953 8.239,954 0.516,956 31.251,957 35.512,958 0.33,959 0.717,960 0.756,961 0.808,962 0.808,963 0.808,964 4.46,965 -0.274,966 5.434,967 0.967,968 4.007,969 4.454,970 1.98,971 6.347,972 3.847,973 5.721,974 -0.39,975 7.071,976 -0.785,977 4.007,978 4.407,979 1.135,980 7.724,981 3.748,982 7.071,983 -0.666,984 8.825,985 -0.947,986 5.765,987 6.592,988 2.203,989 10.792,990 5.46,991 8.45,992 -1,993 10.652,994 -1.548,995 6.494,996 7.189,997 1.839,998 12.974,999 6.102,1000 9.853,1001 -1,1002 12.528,1003 -3,1004 7.879,1005 8.963,1006 2.633,1007 15.705,1008 7.439,1009 11.277,1010 -1.303,1011 14.439,1012 -3,1013 8.918,1014 9.875,1015 2.544,1016 18.168,1017 8.399,1018 12.716,1019 -1.519,1020 16.376,1021 -3.137,1022 10.195,1023 11.46,1024 3.183,1025 20.806,1026 9.619,1027 3.502,1028 -1.613,1029 18.334,1030 -4.18,1031 11.362,1032 12.551,1033 3.267,1034 23.359,1035 10.71,1036 2.586,1037 13.401,1038 20.306,1039 -5.275,1040 12.613,1041 14.034,1042 3.807,1043 25.967,1044 11.897,1045 2.303,1046 8.082,1047 22.29,1048 3.908,1049 13.832,1050 15.231,1051 3.999,1052 28.549,1053 13.04,1054 2.184,1055 6.498,1056 24.282,1057 3.496,1058 15.079,1059 16.657,1060 4.475,1061 31.149,1062 14.219,1063 1.728,1064 6.02,1065 26.28,1066 2.806,1067 16.317,1068 17.916,1069 4.735,1070 33.739,1071 15.384,1072 1,1073 4.877,1074 28.283,1075 2.744,1076 17.566,1077 19.311,1078 5.17,1079 36.336,1080 16.562,1081 0.355,1082 2.275,1083 30.29,1084 2.264,1085 18.813,1086 20.608,1087 5.471,1088 38.93,1089 17.736,1090 2047,1091 3825,1092 11.038,1093 20.693,1094 28.133,1095 27.682,1096 28.941,1097 27.458,1098 27.316,1099 34.272,1100 6.504,1101 84.239,1102 25.037,1103 5.437,1104 5.837,1105 6.931,1106 5.533,1107 5.502,1108 6.908,1109 2.572,1110 21.393,1111 5.259,1112 10.254,1113 1.563,1114 1.538,1115 1.608,1116 1.525,1117 1.518,1118 1.904,1119 0.361,1120 4.68,1121 1.391,1122 3.972,1123 4.02,1124 4.016,1125 3.869,1126 5.264,1127 3.871,1128 3.744,1129 3.793,1130 3.783,1131 3.58,1132 4.996,1133 3.599,1134 3.327,1135 3.423,1136 3.295,1137 3.089,1138 4.93,1139 3.102,1140 3.114,1141 3.232,1142 3.171,1143 2.85,1144 4.438,1145 2.867,1146 2.874,1147 3.009,1148 2.93,1149 2.735,1150 4.244,1151 2.715,1152 2.854,1153 2.925,1154 2.687,1155 2.637,1156 3.927,1157 2.651,1158 2.838,1159 2.893,1160 2.499,1161 2.618,1162 3.674,1163 2.57,1164 2.426,1165 2.589,1166 2.305,1167 1.948,1168 3.504,1169 1.966,1170 0.257,1171 0.213,1172 0.418,1173 0.246,1174 0.195,1175 4.618,1176 0.217,1177 3.837,1178 0.08,1179 7.516,1180 0.744,1181 4.433,1182 0.181,1183 3.502,1184 3.908,1185 1.441,1186 13.401,1187 3.259,1188 1.91,1189 1.879,1190 2.003,1191 2.055,1192 1.146,1193 2.04,1194 1.689,1195 1.632,1196 1.857,1197 1.856,1198 0.98,1199 1.862,1200 1.274,1201 1.184,1202 1.498,1203 1.566,1204 0.469,1205 1.57,1206 0.99,1207 0.897,1208 1.417,1209 1.387,1210 0.328,1211 1.365,1212 0.934,1213 0.821,1214 1.265,1215 1.239,1216 0.218,1217 1.308,1218 0.886,1219 0.804,1220 1.181,1221 1.062,1222 0.05,1223 1.107,1224 0.776,1225 0.71,1226 0.958,1227 0.981,1229 0.996,1230 0.327,1231 0.153,1232 0.728,1233 0.776,1235 0.78,1236 3.611,1238 4.977,1240 6.538,1242 8.2,1244 9.915,1246 3.825,1247 5.854,1250 11.497,1257 1.805,1258 -0.566,1262 19.569,1263 50.614,1264 110.07,1265 116.07,1266 124.07,1267 124.07,1268 124.07,1269 23.836,1270 5.969,1271 80,1272 80,1273 12,1274 12.16,1275 3.17,1276 2.585,1277 28.22,1278 39,1279 45,1280 0.37,1281 129.167,1282 220.25,1283 306.927,1284 2212,1285 3.2,1286 12.629,1287 0.743,1288 0.614,1289 13.129,1290 10.44,1291 7.899,1292 0.439,1293 0.307,1294 5.111,1295 7.294,1296 4.868,1297 4.076,1298 8.187,1299 5.531,1300 8.057,1301 0.298,1302 0.173,1303 8.465,1304 4.683,1305 5.733,1306 0.174,1307 0.083,1308 6.021,1309 2.73,1310 5.417,1311 0.12,1312 0.044,1313 5.583,1314 1.967,1315 3.388,1316 0.071,1317 0.022,1318 3.602,1319 1.07,1320 0.54,1321 52.412,1322 0.301,1323 16.601,1324 1.138,1325 90,1326 251.763,1327 115.816,1328 281.734,1329 379.6,1330 260,1331 105,1332 270.412,1333 123.751,1334 284.168,1335 413.26,1336 266,1337 6.959}
{0 CHEMBL7488,1 1.603,2 11,3 2.18,4 4.751,5 103.221,6 7.049,7 0.429,8 4.035,9 4.167,10 3.541,11 3.451,12 5.149,13 3.454,14 4.571,15 4.76,16 3.875,17 3.832,18 5.605,19 3.81,20 4.756,21 4.948,22 4.007,23 4.014,24 5.761,25 3.969,26 4.909,27 5.129,28 3.975,29 4.061,30 5.91,31 3.978,32 4.992,33 5.238,34 3.78,35 4.021,36 5.904,37 3.91,38 4.898,39 5.163,40 3.536,41 3.922,42 5.766,43 3.769,44 4.828,45 5.142,46 3.447,47 3.796,48 5.528,49 3.629,50 4.599,51 4.858,52 3.506,53 3.637,54 5.47,55 3.545,56 0.079,57 0.744,58 11.763,59 4.178,60 13.043,61 6.009,62 0.395,63 1.112,64 21.977,65 7.227,66 34.615,67 10.153,68 0.452,69 1.362,70 26.022,71 8.242,72 29.635,73 12.524,74 0.535,75 1.457,76 31.009,77 9.648,78 47.695,79 14.758,80 0.7,81 1.42,82 35.388,83 9.501,84 59.384,85 14.911,86 0.629,87 1.284,88 32.204,89 9.186,90 57.87,91 14.221,92 0.429,93 1.102,94 30.621,95 9.092,96 40.113,97 14.461,98 0.395,99 0.922,100 23.944,101 7.151,102 35.985,103 10.711,104 35,105 39,106 0.273,107 0.595,108 0.751,109 0.787,110 0.796,111 0.823,112 3.304,113 0.911,114 -2.73,115 -2.74,116 -2.66,119 35.3,121 3,122 1,124 3,125 1,139 2,140 1,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 4,169 1,170 5,172 3,173 3,175 4,178 5,180 1,181 2,182 5,187 3,189 2,191 1,192 1,193 5,195 1,196 3,197 1,198 6,200 2,201 2,204 4,205 1,207 1,210 1,212 3,215 4,218 3,221 2,224 2,225 1,226 1,228 1,229 4,231 1,234 5,246 10,250 1,251 2,253 1,256 2,260 2,273 920,274 17.643,275 17.643,276 17.643,277 17.643,278 17.643,279 16.09,280 28.258,281 10.181,282 18.389,283 13.619,284 13.619,285 13.619,286 13.619,287 13.619,288 11.046,289 39.46,290 4.557,291 14.542,292 4.069,293 2.175,294 1.256,295 1.045,296 0.991,297 0.829,298 3.985,300 1,301 1,302 1,303 602,304 3.082,307 229.767,311 120.969,314 1.538,315 25.386,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 57.5,327 286,328 4.422,329 3.373,330 6.523,331 4.05,332 3.081,333 4.104,334 0.86,335 10.257,336 2.99,337 4.414,338 3.268,339 6.502,340 4.003,341 3.058,342 4.091,343 0.86,344 10.174,345 2.881,346 3.624,347 2.603,348 5.381,349 3.414,350 2.452,351 2.896,352 0.86,353 7.048,354 2.36,355 3.52,356 2.555,357 5.218,358 3.167,359 2.22,360 2.824,361 0.4,362 6.571,363 2.097,364 3.355,365 2.395,366 5.19,367 2.972,368 2.061,369 2.604,371 6.118,372 1.896,373 3.325,374 2.221,375 5.062,376 2.968,377 2.031,378 2.563,380 5.801,381 1.867,382 3.193,383 2.118,384 4.965,385 2.899,386 1.947,387 2.273,389 5.738,390 1.847,391 2.228,392 1.942,393 3.811,394 2.009,395 1.173,396 1.216,398 2.565,399 0.988,400 2.093,401 1.306,402 3.71,403 1.979,404 1.008,405 1.068,407 2.532,408 0.965,409 1.803,410 1.092,411 3.227,412 1.642,413 0.717,414 0.763,415 1.598,416 0.66,417 1.576,418 0.916,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.404,426 0.871,427 2.744,428 1.161,429 0.315,430 0.336,431 0.416,432 0.264,433 1.226,434 0.239,435 2.58,436 0.955,437 0.021,438 0.024,439 0.049,440 0.02,441 0.889,442 0.066,443 2.492,444 0.526,445 -0.392,446 -0.46,448 -0.767,449 -0.355,450 0.792,451 -0.285,452 2.439,453 0.462,454 -0.461,455 -0.559,457 -1.154,458 -0.421,459 12,460 0.462,461 0.622,462 0.024,463 32.5,464 1.25,465 15,466 0.577,467 17.5,468 0.673,469 22.41,470 0.862,471 30,472 0.588,473 23.873,474 0.918,475 6.446,476 0.248,477 6.104,478 0.235,479 0.192,481 0.375,485 1.023,486 1.456,487 0.871,488 1.249,489 1.128,490 1.046,491 1.198,492 0.929,493 0.851,494 0.879,495 0.764,496 0.826,497 0.827,498 1.283,499 0.946,500 1.157,501 0.789,502 1.074,503 0.761,504 1.235,505 1.033,506 1.275,507 0.774,508 1.212,509 1.349,510 1.033,511 1.236,512 1.029,513 1.346,514 1.105,515 1.119,516 0.881,517 1.282,518 1.066,519 1.236,520 1.186,521 0.666,522 0.769,523 0.757,524 0.823,525 0.652,526 0.809,527 1.118,528 0.891,529 0.848,530 0.888,531 0.864,532 0.844,533 6,534 0.206,535 2.889,536 2.063,537 2.182,538 0.653,539 0.384,540 0.373,541 0.188,542 0.278,543 7796,544 21512,545 2.014,546 49,547 4,548 13,551 5,552 2,553 1,555 1.688,556 1.857,557 3.402,558 2.596,559 1,560 1,564 81.774,565 1.603,566 3.497,567 4.417,568 4.628,569 4.682,570 4.844,571 2.844,572 4.162,573 4.676,574 3.56,575 1157.13,576 8.087,577 14653.3,579 1,581 1,582 289.294,583 1.502,584 4.615,585 0.214,586 0.01,587 0.074,588 0.048,589 0.056,590 0.021,591 0.017,592 0.016,593 0.008,594 0.012,595 0.476,596 0.17,597 1,598 0.998,599 127.934,600 -0.11,601 -0.127,602 0.041,603 -0.067,604 -0.137,605 0.015,606 -0.059,607 0.188,608 0.124,609 0.199,610 0.146,611 0.186,612 0.084,613 -0.122,614 -0.006,615 -0.072,616 0.03,617 -0.05,618 0.12,619 -0.149,620 -0.086,621 -0.234,622 0.101,623 -0.203,624 -0.227,625 -0.062,626 -0.239,627 -0.068,628 -0.273,629 -0.147,630 -0.175,631 0.092,632 -0.307,633 -0.107,634 -0.287,635 -0.217,636 0.041,637 0.061,638 0.206,639 0.141,640 0.045,641 0.201,642 -0.053,643 -0.002,644 0.146,645 0.108,646 0.055,647 0.153,648 1.421,649 2.021,650 0.615,651 22.059,652 1.006,653 1.143,654 1.499,655 2.248,656 0.628,657 3.367,658 3.689,659 3.97,660 4.234,661 4.443,662 4.431,663 4.466,664 4.511,665 4.615,666 4.654,667 6.467,668 0.598,669 359.48,670 3.367,671 4.905,672 5.759,673 6.642,674 7.512,675 8.396,676 9.27,677 10.154,678 11.029,679 11.913,680 9.8,684 2,685 1,690 2,695 2,696 2,700 8,702 12,711 2,712 1,716 3,718 51,719 12,720 1,721 28,723 53,724 18,725 10,726 4,727 2,729 3,730 4,736 3,737 1,739 3,741 10,742 8,743 1,753 1,754 1,757 25,758 8,759 5,760 8,764 5,769 0.667,770 3,776 1,781 3,785 1,802 2,806 3,810 26,811 2,816 4,817 1,818 3,820 1,829 5.9,834 3,836 14,837 9.817,838 5.944,839 2.763,840 2.267,841 1.312,842 0.955,843 5.934,844 9.522,845 3.555,846 4.143,847 4.696,848 5.224,849 5.694,850 5.79,851 5.831,852 5.912,853 6.149,854 6.309,855 1,856 43,857 9.556,859 3.93,860 7.718,861 18.255,863 14.59,865 2.218,866 57.667,870 235.422,871 89.967,872 117.376,874 33,877 89.967,878 268.422,879 117.376,880 32.649,881 9.709,882 84.747,883 51.582,884 57.429,885 4.227,886 235.422,888 235.422,889 207.344,890 33,893 223.651,894 44.771,897 14.365,898 141.397,899 51.582,901 235.422,902 150.376,903 89.967,906 235.422,907 38.366,908 51.602,909 18.011,910 132.365,911 235.422,912 150.376,913 89.967,915 0.574,916 0.355,917 0.202,918 0.109,919 18,920 9,921 0.113,922 6,923 1,924 1.125,925 3.713,926 213.724,927 0.125,928 16,929 114.211,933 18.857,934 8.182,935 4.097,937 150.376,938 3.798,939 8.392,943 5.454,945 83.805,946 475.765,947 34,956 51.327,957 58.272,958 0.283,959 0.617,960 0.779,961 0.816,962 0.825,963 0.854,964 4.804,965 1.173,966 5.753,967 5.738,968 4.369,969 4.828,970 1.751,971 6.575,972 4.254,973 6.005,974 1.008,975 7.322,976 2.565,977 4.007,978 4.745,980 7.496,981 3.859,982 7.321,983 0.717,984 8.986,985 2.532,986 5.979,987 7.017,988 1.466,989 10.577,990 5.778,991 8.67,992 0.396,993 10.705,994 1.598,995 6.399,996 7.706,998 12.288,999 6.156,1000 10.05,1001 0.315,1002 12.458,1003 0.603,1004 7.854,1005 9.5,1006 1.234,1007 14.899,1008 7.576,1009 11.449,1010 0.021,1011 14.235,1012 0.416,1013 8.643,1014 10.549,1016 16.957,1017 8.319,1018 12.865,1019 -0.392,1020 16.03,1021 0.049,1022 9.893,1023 12.147,1024 1.028,1025 19.398,1026 9.539,1027 3.081,1028 -0.461,1029 17.839,1030 -0.767,1031 10.861,1032 13.375,1034 21.609,1035 10.459,1036 3.058,1037 10.257,1038 19.66,1039 -1.154,1040 12.03,1041 14.881,1042 0.845,1043 23.981,1044 11.595,1045 2.452,1046 10.174,1047 21.491,1048 4.104,1049 13.081,1050 16.199,1052 26.257,1053 12.601,1054 2.22,1055 7.048,1056 23.329,1057 4.091,1058 14.218,1059 17.66,1060 0.684,1061 28.602,1062 13.703,1063 2.061,1064 6.571,1065 25.174,1066 2.896,1067 15.307,1068 19.022,1070 30.905,1071 14.748,1072 2.031,1073 6.118,1074 27.024,1075 2.824,1076 16.432,1077 20.46,1078 0.546,1079 33.239,1080 15.837,1081 1.947,1082 5.801,1083 28.879,1084 2.604,1085 17.539,1086 21.845,1088 35.554,1089 16.901,1090 7690,1091 12872,1092 18.205,1093 32.006,1094 40.795,1095 42.361,1096 43.609,1097 40.833,1098 40.963,1099 50.426,1100 5.96,1101 118.942,1102 38.353,1103 5.367,1104 5.373,1105 6.066,1106 5.121,1107 5.081,1108 7.104,1109 1.72,1110 17.178,1111 4.99,1112 14.929,1113 1.457,1114 1.513,1115 1.557,1116 1.458,1117 1.463,1118 1.801,1119 0.213,1120 4.248,1121 1.37,1122 4.013,1123 4.057,1124 3.957,1125 3.895,1126 5.282,1127 3.903,1128 3.917,1129 3.935,1130 3.881,1131 3.806,1132 4.981,1133 3.82,1134 3.584,1135 3.654,1136 3.482,1137 3.39,1138 4.977,1139 3.406,1140 3.309,1141 3.381,1142 3.173,1143 3.063,1144 4.58,1145 3.076,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.484,1151 3.026,1152 3.212,1153 3.29,1154 3.022,1155 2.961,1156 4.458,1157 2.96,1158 3.165,1159 3.261,1160 2.981,1161 2.894,1162 4.328,1163 2.895,1164 3.083,1165 3.186,1166 2.888,1167 2.821,1168 4.017,1169 2.83,1170 0.158,1171 0.12,1172 0.233,1173 0.145,1174 0.11,1175 4.422,1176 0.147,1177 3.373,1178 0.031,1179 6.523,1180 0.366,1181 4.05,1182 0.107,1183 3.081,1184 4.104,1185 0.86,1186 10.257,1187 2.99,1188 1.951,1189 1.912,1190 2.091,1191 2.094,1192 1.45,1193 2.092,1194 1.862,1195 1.847,1196 1.941,1197 1.999,1198 1.074,1199 1.979,1200 1.521,1201 1.458,1202 1.675,1203 1.758,1204 0.843,1205 1.744,1206 1.25,1207 1.177,1208 1.59,1209 1.558,1210 0.746,1211 1.565,1212 1.227,1213 1.163,1214 1.573,1215 1.541,1216 0.584,1217 1.55,1218 1.174,1219 1.092,1220 1.553,1221 1.499,1222 0.574,1223 1.52,1224 1.144,1225 1.058,1226 1.493,1227 1.415,1228 0.561,1229 1.435,1230 1.028,1231 0.929,1232 1.325,1233 1.353,1234 0.39,1235 1.365,1236 4.043,1238 5.361,1240 6.889,1242 8.517,1244 10.197,1246 4.799,1250 11.703,1252 3.495,1253 3.455,1254 16.143,1256 0.427,1262 30.519,1263 81.774,1264 178.361,1265 225.255,1266 236.009,1267 238.764,1268 247.029,1269 43.404,1270 7.255,1271 117.54,1272 117.54,1273 18,1274 12.447,1275 3.7,1276 2.807,1277 44.513,1278 104,1279 90,1280 0.214,1281 189.648,1282 326.61,1283 454.502,1284 13420,1286 18.681,1287 0.719,1288 0.59,1289 18.681,1290 15.334,1291 12.55,1292 0.448,1293 0.304,1294 8.304,1295 11.825,1296 8.033,1297 6.718,1298 12.55,1299 8.499,1300 10.98,1301 0.282,1302 0.161,1303 10.98,1304 6.296,1305 9.353,1306 0.18,1307 0.09,1308 9.353,1309 4.684,1310 8.033,1311 0.118,1312 0.049,1313 8.033,1314 3.35,1315 6.45,1316 0.077,1317 0.029,1318 6.45,1319 2.441,1320 0.339,1321 80.491,1322 0.234,1323 25.137,1324 0.579,1325 134,1326 413.454,1327 150.74,1328 388.617,1329 531.9,1330 366,1331 158,1332 390.65,1333 175.017,1334 396.993,1335 576.26,1336 368,1337 6.538}
{0 CHEMBL7492,1 1.617,2 9.292,3 2.428,4 5.896,5 92.519,6 7.568,7 0.654,8 3.873,9 3.998,10 3.444,11 3.349,12 5.068,13 3.356,14 4.357,15 4.535,16 3.792,17 3.708,18 5.504,19 3.699,20 4.468,21 4.615,22 3.904,23 3.877,24 5.589,25 3.86,26 4.667,27 4.852,28 3.871,29 3.949,30 5.79,31 3.88,32 4.786,33 5.04,34 3.699,35 3.916,36 5.769,37 3.807,38 4.658,39 4.917,40 3.616,41 3.772,42 5.605,43 3.671,44 4.525,45 4.75,46 3.545,47 3.633,48 5.543,49 3.564,50 4.426,51 4.664,52 3.398,53 3.515,54 5.491,55 3.421,56 0.069,57 0.656,58 8.742,59 3.468,60 11.701,61 4.59,62 0.333,63 0.969,64 16.422,65 6.009,66 29.989,67 7.832,68 0.177,69 1.149,70 16.754,71 6.418,72 16.257,73 8.597,74 0.325,75 1.303,76 21.853,77 8.328,78 36.669,79 11.33,80 0.501,81 1.324,82 27.539,83 8.338,84 50.988,85 12.576,86 0.339,87 1.111,88 24.573,89 8.036,90 37.503,91 11.869,92 0.418,93 0.956,94 21.475,95 6.707,96 36.916,97 9.31,98 0.391,99 0.897,100 19.061,101 5.749,102 37.018,103 8.565,104 30,105 37,106 0.282,107 0.636,108 0.779,109 0.823,110 0.839,111 0.863,112 3.229,113 0.855,114 -3.89,115 -3.85,116 -3.65,119 39.5,120 1,121 1,124 2,139 3,140 4,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 7,169 2,170 8,172 3,173 3,175 1,178 8,180 1,182 9,187 1,189 7,191 1,192 1,193 8,195 3,196 3,197 1,198 3,200 2,201 5,204 3,205 1,206 1,207 5,212 2,215 4,218 2,220 1,221 6,226 3,229 3,231 3,233 1,234 5,239 2,241 2,243 2,245 2,246 2,248 1,249 1,251 2,256 2,259 2,260 2,262 1,263 1,265 2,270 2,273 762,274 16.118,275 16.118,276 16.118,277 16.118,278 16.118,279 13.985,280 21.6,281 9.224,282 16.703,283 12.671,284 12.671,285 12.671,286 12.671,287 12.671,288 9.373,289 28.925,290 4.188,291 13.429,292 3.809,293 1.775,294 0.954,295 0.704,296 0.611,297 0.471,298 3.907,300 1,301 1,302 1,303 470,304 2.739,307 192.215,311 100.077,314 1.375,315 21.85,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52.5,327 223,328 4.657,329 3.356,330 6.838,331 4.194,332 3.219,333 4.617,334 0.86,335 11.245,336 3.142,337 4.277,338 3.163,339 6.205,340 3.881,341 2.913,342 3.921,343 0.86,344 9.298,345 2.818,346 3.886,347 2.738,348 5.768,349 3.465,350 2.509,351 3.395,352 0.68,353 7.76,354 2.396,355 3.543,356 2.646,357 5.221,358 3.155,359 2.232,360 2.866,362 6.488,363 2.052,364 3.452,365 2.233,366 5.097,367 2.976,368 2.043,369 2.853,371 5.913,372 1.9,373 3.373,374 2.061,375 5.01,376 2.899,377 1.975,378 2.69,380 5.794,381 1.818,382 2.877,383 1.884,384 4.428,385 2.5,386 1.534,387 2.01,389 4.18,390 1.477,391 2.69,392 1.507,393 4.149,394 2.255,395 1.3,396 1.76,398 3.388,399 1.238,400 1.961,401 1.236,402 3.207,403 1.66,404 0.778,405 0.889,407 1.431,408 0.678,409 1.678,410 0.916,411 3,412 1.354,413 0.426,414 0.508,415 0.929,416 0.391,417 1.455,418 0.649,419 2.824,420 1.172,421 0.3,422 0.34,423 0.435,424 0.261,425 1.202,426 0.139,427 2.727,428 0.839,429 -0.107,430 -0.133,431 -0.277,432 -0.1,433 1.072,434 0.086,435 2.6,436 0.686,437 -0.259,438 -0.323,439 -0.557,440 -0.243,441 0.854,442 -0.244,443 2.402,444 0.444,445 -0.471,446 -0.586,448 -1.128,449 -0.428,450 0.649,451 -0.323,452 2.19,453 0.266,454 -0.66,455 -0.796,457 -1.503,458 -0.604,459 11.167,460 0.465,461 0.644,462 0.027,463 34,464 1.417,465 18,466 0.75,467 16,468 0.667,469 17.631,470 0.735,471 26.033,472 0.605,473 24.855,474 1.036,475 6.927,476 0.289,477 4.602,478 0.192,479 0.206,481 0.403,485 1.011,486 1.313,487 0.804,488 1.096,489 1.195,490 0.929,491 1.094,492 0.723,493 0.714,494 0.713,495 0.689,496 0.676,497 1.086,498 1.317,499 0.959,500 1.152,501 0.932,502 1.051,503 0.871,504 1.219,505 1.105,506 1.325,507 0.761,508 1.285,509 0.9,510 0.951,511 1.12,512 1.005,513 1.126,514 1.069,515 0.794,516 0.947,517 0.884,518 1.016,519 0.79,520 0.971,521 1.442,522 1.004,523 1.065,524 0.978,525 1.104,526 0.981,527 0.96,528 1.126,529 1.123,530 1.157,531 1.023,532 1.169,533 5.5,534 0.091,535 2.889,536 2.188,537 1.942,538 0.819,539 0.589,540 0.373,541 0.271,542 0.169,543 5706,544 16536,545 2.015,546 44.2,547 5,548 9,550 1,551 4,555 1.672,556 1.846,557 3.178,558 1.819,559 1,560 1,562 1,564 69.522,565 1.617,566 3.651,567 4.472,568 4.722,569 4.815,570 4.955,571 2.657,572 4.335,573 4.558,574 3.311,575 913.79,576 7.883,577 10476.7,579 1,581 1,582 233.329,583 1.528,584 4.493,585 0.212,586 0.01,587 0.078,588 0.053,589 0.052,590 0.027,591 0.021,592 0.014,593 0.013,594 0.011,595 0.492,596 0.17,597 1,598 0.961,599 112.53,600 -0.122,601 -0.095,602 0.031,603 -0.03,604 -0.24,605 0.029,606 0.037,607 0.35,608 0.221,609 0.317,610 0.196,611 0.291,612 -0.168,613 -0.159,614 -0.099,615 -0.096,616 -0.136,617 -0.085,618 0.01,619 -0.148,620 -0.206,621 -0.292,622 0.092,623 -0.304,624 -0.058,625 0.03,626 -0.149,627 -0.044,628 -0.176,629 -0.091,630 0.048,631 -0.036,632 0.102,633 -0.018,634 0.062,635 0.047,636 -0.154,637 -0.097,638 -0.049,639 0.01,640 -0.105,641 -0.007,642 0.069,643 -0.161,644 -0.135,645 -0.201,646 -0.024,647 -0.207,648 1.547,649 2.006,650 0.667,651 18.083,652 1.008,653 1.135,654 2.665,655 7.1,656 0.657,657 3.296,658 3.638,659 3.932,660 4.205,661 4.431,662 4.511,663 4.543,664 4.615,665 4.745,666 4.736,667 5.495,668 0.633,669 325.41,670 3.296,671 4.844,672 5.707,673 6.6,674 7.479,675 8.377,676 9.262,677 10.162,678 11.05,679 11.951,680 11.6,684 2,690 3,694 2,695 4,696 3,700 7,702 17,711 2,716 2,718 43,719 17,720 1,721 26,723 45,724 17,725 13,726 3,727 3,729 3,730 4,734 1,739 1,741 13,742 4,753 1,754 1,757 19,758 7,759 4,760 7,764 5,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 3,810 24,811 2,816 1,818 2,829 4.7,834 2,836 13,837 8.683,838 5.389,839 2.24,840 3.463,841 1.486,842 0.984,843 4.513,844 10.591,845 3.57,846 4.248,847 4.89,848 5.515,849 6.105,850 6.416,851 6.754,852 7.16,853 7.604,854 7.797,855 1,856 41,857 8.778,859 3.627,860 7.771,861 16.539,863 13.054,865 2.271,866 54.5,869 1,870 176.567,871 99.161,872 116.151,874 22,877 99.161,878 198.566,879 116.151,880 30.591,881 2.535,882 94.223,883 62.128,884 55.379,885 4.227,886 164.795,888 176.567,889 215.312,890 22,893 178.282,894 22,897 22.306,898 140.934,899 50.357,901 176.567,902 138.151,903 99.161,906 176.567,907 31.093,908 68.067,910 138.151,911 176.567,912 138.151,913 99.161,915 0.583,916 0.358,917 0.197,918 0.106,919 18,920 9,921 0.089,922 4,923 1,924 1.125,925 3.462,926 198.239,927 0.125,928 16,929 110.039,933 16.43,934 6.593,935 3.143,936 1.224,937 138.151,938 7.479,939 12.544,943 4.994,945 65.794,946 413.878,947 34.5,956 43.349,957 48.817,958 0.298,959 0.673,960 0.824,961 0.87,962 0.887,963 0.913,964 4.806,965 1.3,966 5.714,967 4.18,968 4.317,969 4.934,970 1.586,971 6.558,972 4.218,973 6.051,974 0.778,975 7.299,976 3.388,977 4.007,978 4.913,980 7.526,981 3.886,982 7.388,983 0.426,984 8.981,985 1.431,986 5.948,987 7.254,988 1.285,989 10.632,990 5.782,991 8.762,992 0.3,993 10.718,994 0.929,995 6.415,996 8.015,998 12.401,999 6.234,1000 10.164,1001 -0.107,1002 12.491,1003 0.435,1004 7.857,1005 9.867,1006 1.035,1007 15.052,1008 7.645,1009 11.587,1010 -0.259,1011 14.288,1012 -0.277,1013 8.687,1014 11.009,1016 17.177,1017 8.461,1018 13.028,1019 -0.471,1020 16.105,1021 -0.557,1022 9.938,1023 12.662,1024 0.828,1025 19.668,1026 9.688,1027 3.219,1028 -0.66,1029 17.937,1030 -1.128,1031 10.939,1032 13.997,1034 21.952,1035 10.672,1036 2.913,1037 11.245,1038 19.782,1039 -1.503,1040 12.119,1041 15.566,1042 0.656,1043 24.387,1044 11.83,1045 2.509,1046 9.298,1047 21.638,1048 4.617,1049 13.2,1050 16.997,1052 26.74,1053 12.892,1054 2.232,1055 7.76,1056 23.503,1057 3.921,1058 14.355,1059 18.533,1060 0.515,1061 29.157,1062 14.026,1063 2.043,1064 6.488,1065 25.375,1066 3.395,1067 15.474,1068 20.01,1070 31.543,1071 15.123,1072 1.975,1073 5.913,1074 27.254,1075 2.866,1076 16.623,1077 21.535,1078 0.401,1079 33.956,1080 16.251,1081 1.534,1082 5.794,1083 29.138,1084 2.853,1085 17.76,1086 23.036,1088 36.357,1089 17.366,1090 5670,1091 9764,1092 16.819,1093 28.267,1094 38.505,1095 39.461,1096 40.923,1097 38.372,1098 38.459,1099 51.7,1100 4.8,1101 113.723,1102 36.341,1103 5.44,1104 5.356,1105 6.406,1106 5.269,1107 5.219,1108 7.617,1109 1.72,1110 18.52,1111 5.142,1112 13.69,1113 1.481,1114 1.518,1115 1.574,1116 1.476,1117 1.479,1118 1.988,1119 0.185,1120 4.374,1121 1.398,1122 4.082,1123 4.118,1124 4.057,1125 3.983,1126 5.321,1127 3.995,1128 3.906,1129 3.926,1130 3.863,1131 3.811,1132 4.982,1133 3.821,1134 3.517,1135 3.58,1136 3.45,1137 3.339,1138 4.918,1139 3.359,1140 3.322,1141 3.37,1142 3.178,1143 3.036,1144 4.795,1145 3.058,1146 3.186,1147 3.279,1148 3.052,1149 2.971,1150 4.601,1151 2.97,1152 3.148,1153 3.239,1154 2.953,1155 2.872,1156 4.208,1157 2.878,1158 3.042,1159 3.153,1160 2.868,1161 2.842,1162 4.122,1163 2.839,1164 3.023,1165 3.124,1166 2.801,1167 2.704,1168 4.019,1169 2.721,1170 0.179,1171 0.129,1172 0.263,1173 0.161,1174 0.124,1175 4.657,1176 0.178,1177 3.356,1178 0.033,1179 6.838,1180 0.433,1181 4.194,1182 0.121,1183 3.219,1184 4.617,1185 0.86,1186 11.245,1187 3.142,1188 2.014,1189 1.988,1190 2.083,1191 2.137,1192 1.277,1193 2.118,1194 1.867,1195 1.847,1196 1.951,1197 1.986,1198 1.067,1199 1.976,1200 1.451,1201 1.395,1202 1.614,1203 1.674,1204 0.683,1205 1.663,1206 1.24,1207 1.181,1208 1.59,1209 1.567,1210 0.584,1211 1.571,1212 1.173,1213 1.087,1214 1.548,1215 1.453,1216 0.559,1217 1.488,1218 1.124,1219 1.031,1220 1.485,1221 1.406,1222 0.549,1223 1.428,1224 1.005,1225 0.928,1226 1.267,1227 1.339,1228 0.206,1229 1.341,1230 0.946,1231 0.826,1232 1.245,1233 1.254,1234 0.096,1235 1.266,1236 3.97,1238 5.303,1240 6.847,1242 8.491,1244 10.188,1246 5.254,1250 11.64,1252 0.624,1254 10.742,1262 27.224,1263 69.522,1264 157.011,1265 192.31,1266 203.065,1267 207.065,1268 213.065,1269 34.782,1270 7.128,1271 109.17,1272 109.17,1273 18,1274 12.475,1275 4.17,1276 3.248,1277 39.14,1278 79,1279 76,1280 0.248,1281 170.205,1282 284.34,1283 407.06,1284 10906,1286 17.267,1287 0.719,1288 0.576,1289 17.267,1290 13.829,1291 11.528,1292 0.443,1293 0.285,1294 7.263,1295 10.952,1296 6.978,1297 5.861,1298 11.528,1299 7.412,1300 10.339,1301 0.279,1302 0.147,1303 10.339,1304 5.429,1305 8.895,1306 0.178,1307 0.08,1308 8.895,1309 4.003,1310 7.632,1311 0.116,1312 0.041,1313 7.632,1314 2.736,1315 5.831,1316 0.07,1317 0.021,1318 5.831,1319 1.766,1320 0.38,1321 73.249,1322 0.244,1323 23.016,1324 0.709,1325 126,1326 389.031,1327 139.917,1328 374.934,1329 517.83,1330 352,1331 150,1332 386.88,1333 163.308,1334 396.13,1335 575.63,1336 368,1337 8.481}
{0 CHEMBL7535,1 1.402,2 7.556,3 2.423,4 5.869,5 74.085,6 7.069,7 0.6,8 3.628,9 3.772,10 3.153,11 3.189,12 4.722,13 3.157,14 4.139,15 4.319,16 3.514,17 3.606,18 5.185,19 3.536,20 4.429,21 4.657,22 3.543,23 3.752,24 5.324,25 3.65,26 4.473,27 4.716,28 3.419,29 3.712,30 5.399,31 3.576,32 4.479,33 4.763,34 3.211,35 3.599,36 5.347,37 3.439,38 4.307,39 4.62,40 2.966,41 3.349,42 5.146,43 3.173,44 3.945,45 4.263,46 2.719,47 2.958,48 4.864,49 2.82,50 3.462,51 3.751,52 2.334,53 2.527,54 4.496,55 2.414,56 0.048,57 0.537,58 7.453,59 2.843,60 8.993,61 4.089,62 0.146,63 0.851,64 12.964,65 5.475,66 18.813,67 7.67,68 0.128,69 1.047,70 18.283,71 6.642,72 17.287,73 9.867,74 0.184,75 1.055,76 19.428,77 7.012,78 28.868,79 10.41,80 0.201,81 0.992,82 20.461,83 6.537,84 31.018,85 10.114,86 0.156,87 0.789,88 17.657,89 5.715,90 27.676,91 8.909,92 0.124,93 0.555,94 12.378,95 3.565,96 21.231,97 5.761,98 0.082,99 0.357,100 7.388,101 1.955,102 14.377,103 3.221,104 5,105 28,106 0.26,107 0.622,108 0.745,109 0.83,110 0.845,111 0.845,112 2.962,113 0.929,114 -4.27,115 -4.21,116 -3.98,119 41.2,121 3,122 1,139 5,140 2,143 1,144 1,147 1,157 2,158 2,159 2,166 11,169 1,170 3,172 3,173 3,175 1,178 14,180 1,182 3,187 1,189 13,191 1,193 3,195 1,196 1,197 1,198 4,200 2,201 9,204 4,205 1,207 3,212 4,215 6,218 4,221 4,226 3,229 2,231 3,234 4,239 3,243 3,246 2,251 3,256 3,265 2,270 2,273 292,274 12.223,275 12.223,276 12.223,277 12.223,278 12.223,279 10.668,280 13.484,281 7.251,282 12.402,283 9.893,284 9.893,285 9.893,286 9.893,287 9.893,288 7.617,289 14.285,290 3.47,291 10.193,292 3.685,293 1.731,294 1.07,295 0.61,296 0.529,297 0.529,298 3.641,300 1,301 1,302 1,303 296,304 1.732,307 128.503,311 67.314,314 1.272,315 12.924,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 38,327 136,328 4.427,329 3.32,330 6.525,331 4.08,332 3.104,333 4.094,335 10.263,336 3.036,337 4.042,338 2.951,339 6.086,340 3.731,341 2.746,342 3.54,344 8.847,345 2.702,346 3.487,347 2.294,348 5.065,349 3.071,350 2.137,351 2.809,353 5.954,354 1.996,355 3.311,356 2.221,357 5.018,358 2.946,359 2,360 2.559,362 5.794,363 1.888,364 3.117,365 1.823,366 4.453,367 2.759,368 1.771,369 2.309,371 4.466,372 1.744,373 2.5,374 1.318,375 3.71,376 2.147,377 1.151,378 1.5,380 2.699,381 1.146,382 2.491,383 1.16,384 3.51,385 2,386 1,387 1.489,389 2.565,390 1,391 2.087,392 1,393 3.247,394 1.974,395 1,396 1.061,398 2.136,399 0.972,400 1.262,401 0.203,402 2.771,403 0.975,404 0.025,405 0.029,407 0.063,408 0.023,409 0.879,410 -0.28,411 2.584,412 0.486,413 -0.44,414 -0.547,415 -1.142,416 -0.406,417 0.693,418 -0.432,419 2.438,420 0.328,421 -0.651,422 -0.805,423 -1.535,424 -0.635,425 0.5,426 -0.582,427 2.06,428 0.147,429 -0.815,430 -0.866,431 -2.19,432 -0.786,433 0.265,434 -0.889,435 1.555,437 -1,438 -1.236,439 -2.347,440 -0.977,441 0.246,442 -1,443 1.538,444 -0.024,445 -1,446 -1.5,448 -2.634,449 -1,450 -0.23,451 -1.386,452 1.398,453 -0.572,454 -1.514,455 -1.896,457 -4.191,458 -1.395,459 8.6,460 0.478,461 0.435,462 0.024,463 24.5,464 1.361,465 13,466 0.722,467 11.5,468 0.639,469 12.49,470 0.694,471 19,472 0.559,473 14.408,474 0.8,475 4.561,476 0.253,477 4.176,478 0.232,479 0.093,481 0.349,485 1.144,486 1.105,487 0.879,488 0.908,489 1.265,490 0.87,491 0.346,492 0.969,493 0.836,494 1.083,495 0.367,496 1.029,497 0.967,498 1.104,499 1.006,500 1.074,501 0.816,502 1.05,503 0.867,504 1.112,505 1.141,506 1.223,507 0.875,508 1.215,509 1.221,510 0.955,511 1.143,512 1.013,513 1.316,514 1.06,515 0.918,516 0.901,517 0.899,518 0.894,519 0.946,520 0.894,521 1.153,522 0.905,523 0.822,524 0.748,525 0.998,526 0.746,527 1.546,528 1.092,529 1.065,530 0.908,531 1.321,532 0.926,533 3.5,534 0.012,535 2,536 1.125,537 1.009,538 0.535,539 0.262,540 0.137,541 0.102,542 0.03,543 2748,544 6576,545 2.12,546 47.1,547 5,548 5,551 4,552 2,555 1.587,556 2,557 2.926,558 1.996,560 1,562 1,564 47.671,565 1.402,566 3.356,567 4.018,568 4.477,569 4.558,570 4.558,571 2.51,572 2.975,573 4.143,574 3.006,575 459.866,576 7.034,577 4192.4,578 1,579 1,581 1,582 172.974,583 1.352,584 4.109,585 0.175,586 0.012,587 0.071,588 0.04,589 0.044,590 0.03,591 0.019,592 0.012,593 0.015,594 0.01,595 0.428,596 0.33,597 1,598 0.584,599 75.14,600 -0.177,601 0.1,602 0.017,603 0.131,604 -0.209,605 0.103,606 0.43,607 0.131,608 0.065,609 -0.029,610 0.327,611 -0.026,612 -0.097,613 -0.084,614 -0.069,615 -0.067,616 -0.082,617 -0.065,618 0.029,619 -0.121,620 -0.195,621 -0.234,622 0.003,623 -0.24,624 -0.2,625 -0.017,626 -0.159,627 -0.067,628 -0.238,629 -0.101,630 -0.004,631 -0.045,632 0.103,633 0.06,634 0.025,635 0.088,636 -0.021,637 -0.027,638 0.209,639 0.162,640 0.079,641 0.204,642 -0.195,643 -0.13,644 -0.037,645 -0.031,646 -0.023,647 -0.018,648 1.385,649 1.951,650 0.889,651 10.889,652 0.991,653 1.132,654 3.044,655 9.266,656 0.664,657 3.045,658 3.367,659 3.638,660 3.912,661 4.159,662 4.174,663 4.263,664 4.331,665 4.369,666 4.234,667 4.455,668 0.625,669 240.34,670 3.045,671 4.575,672 5.425,673 6.304,674 7.172,675 8.057,676 8.932,677 9.82,678 10.698,679 11.586,680 11.8,684 2,690 2,695 5,696 2,700 5,702 12,711 2,718 34,719 12,720 1,721 20,723 36,724 14,725 10,726 1,727 5,729 3,730 4,736 3,737 1,739 3,741 10,742 4,743 1,754 1,757 16,758 4,759 4,760 4,764 4,769 0.667,776 1,781 3,785 1,802 2,810 18,811 2,816 3,820 1,836 9,837 5.817,838 3.917,839 2.019,840 2.254,841 1.344,842 1.02,843 2.823,844 8.815,845 3.296,846 3.892,847 4.431,848 4.961,849 5.457,850 5.514,851 5.723,852 6.052,853 6.419,854 6.655,855 1,856 28,857 6.625,859 2.821,860 7.62,861 12.879,863 10.876,865 2.12,866 38.167,867 0.002,870 141.253,871 68.34,872 99.365,877 68.34,878 141.253,879 99.365,881 7.604,882 113.176,883 33.571,884 9.128,885 4.227,886 141.253,888 141.253,889 167.705,893 141.253,897 12.259,898 121.875,899 33.571,901 141.253,902 99.365,903 68.34,906 141.253,907 20.959,908 47.381,910 99.365,911 141.253,912 99.365,913 68.34,915 0.582,916 0.339,917 0.19,918 0.106,919 15,920 6,921 0.028,922 1,923 1,924 1.125,925 3.055,926 132.598,927 0.125,928 16,929 71.059,933 11.331,934 4.485,935 2.16,937 99.365,938 10.536,939 8.349,943 4.276,945 65.794,946 308.958,947 26,956 33.709,957 38.484,958 0.276,959 0.66,960 0.79,961 0.88,962 0.896,963 0.896,964 4.522,965 1,966 5.407,967 2.565,968 4.043,969 4.575,971 6.213,972 3.988,973 5.719,974 0.025,975 6.959,976 2.136,977 3.611,978 4.311,980 7.081,981 3.516,982 7.017,983 -0.44,984 8.612,985 0.063,986 5.624,987 6.728,989 10.191,990 5.521,991 8.349,992 -0.651,993 10.324,994 -1.142,995 5.994,996 7.246,998 11.884,999 5.861,1000 9.711,1001 -0.815,1002 12.075,1003 -1.535,1004 7.491,1005 9.156,1007 14.5,1008 7.349,1009 11.095,1010 -1,1011 13.851,1012 -2.19,1013 8.249,1014 10.066,1016 16.539,1017 8.083,1018 12.496,1019 -1,1020 15.646,1021 -2.347,1022 9.523,1023 11.737,1025 18.971,1026 9.346,1027 3.104,1028 -1.514,1029 17.455,1030 -2.634,1031 10.471,1032 12.861,1034 21.162,1035 10.271,1036 2.746,1037 10.263,1038 19.274,1039 -4.191,1040 11.65,1041 14.407,1043 23.522,1044 11.435,1045 2.137,1046 8.847,1047 21.102,1048 4.094,1049 12.689,1050 15.651,1052 25.78,1053 12.451,1054 2,1055 5.954,1056 22.937,1057 3.54,1058 13.829,1059 17.13,1061 28.112,1062 13.573,1063 1.771,1064 5.794,1065 24.777,1066 2.809,1067 14.911,1068 18.443,1070 30.401,1071 14.632,1072 1.151,1073 4.466,1074 26.621,1075 2.559,1076 16.037,1077 19.886,1079 32.724,1080 15.738,1081 1,1082 2.699,1083 28.469,1084 2.309,1085 17.14,1086 21.238,1088 35.029,1089 16.818,1090 2677,1091 4216,1092 13.523,1093 22.591,1094 30.125,1095 30.024,1096 30.426,1097 29.904,1098 29.869,1099 38.78,1101 85.575,1102 29.013,1103 5.372,1104 5.32,1105 6.327,1106 5.152,1107 5.104,1108 7.094,1110 17.158,1111 5.036,1112 6.968,1113 1.506,1114 1.501,1115 1.521,1116 1.495,1117 1.493,1118 1.939,1120 4.279,1121 1.451,1122 4.028,1123 4.069,1124 3.968,1125 3.946,1126 5.282,1127 3.944,1128 3.838,1129 3.878,1130 3.782,1131 3.739,1132 4.978,1133 3.745,1134 3.468,1135 3.542,1136 3.35,1137 3.286,1138 4.752,1139 3.297,1140 3.163,1141 3.262,1142 3.02,1143 2.968,1144 4.448,1145 2.961,1146 2.994,1147 3.094,1148 2.842,1149 2.774,1150 3.986,1151 2.788,1152 2.854,1153 2.925,1154 2.687,1155 2.735,1156 3.731,1157 2.715,1158 2.809,1159 2.924,1160 2.592,1161 2.509,1162 3.674,1163 2.517,1164 2.623,1165 2.72,1166 2.434,1167 2.426,1168 3.463,1169 2.42,1170 0.221,1171 0.166,1172 0.326,1173 0.204,1174 0.155,1175 4.427,1176 0.205,1177 3.32,1179 6.525,1180 0.513,1181 4.08,1182 0.152,1183 3.104,1184 4.094,1186 10.263,1187 3.036,1188 1.995,1189 1.963,1190 2.122,1191 2.103,1192 1.442,1193 2.108,1194 1.816,1195 1.779,1196 1.938,1197 1.938,1198 1.037,1199 1.939,1200 1.424,1201 1.357,1202 1.601,1203 1.653,1204 0.753,1205 1.654,1206 1.142,1207 1.064,1208 1.44,1209 1.411,1210 0.631,1211 1.415,1212 0.947,1213 0.859,1214 1.247,1215 1.258,1216 0.218,1217 1.283,1218 0.886,1219 0.821,1220 1.181,1221 1.091,1222 0.15,1223 1.111,1224 0.77,1225 0.649,1226 1.127,1227 1.062,1228 0.058,1229 1.107,1230 0.624,1231 0.532,1232 0.974,1233 0.878,1235 0.915,1236 3.714,1238 5.03,1240 6.561,1242 8.189,1244 9.866,1250 11.578,1252 2.921,1256 0.508,1262 21.246,1263 47.671,1264 114.103,1265 136.609,1266 152.219,1267 154.974,1268 154.974,1269 21.527,1270 6.561,1271 77.82,1272 77.82,1273 18,1274 12.118,1275 3.7,1276 2.807,1277 25.705,1278 50,1279 42,1280 0.275,1281 132.496,1282 220.04,1283 315.05,1284 5202,1286 12.535,1287 0.696,1288 0.563,1289 12.535,1290 10.135,1291 8.737,1292 0.437,1293 0.31,1294 6.146,1295 8.536,1296 6.016,1297 4.975,1298 8.737,1299 6.195,1300 7.949,1301 0.284,1302 0.169,1303 7.949,1304 4.743,1305 6.615,1306 0.179,1307 0.097,1308 6.615,1309 3.593,1310 5.748,1311 0.117,1312 0.054,1313 5.748,1314 2.668,1315 4.652,1316 0.074,1317 0.031,1318 4.652,1319 1.959,1320 0.414,1321 53.817,1322 0.272,1323 17.806,1324 0.802,1325 96,1326 223.915,1327 102.383,1328 228.53,1329 321.55,1330 214,1331 113,1332 247.324,1333 118.662,1334 253.663,1335 368.88,1336 240,1337 5.721}
{0 CHEMBL7542,1 1.361,2 8.5,3 3.365,4 11.323,5 83.727,6 6.71,7 0.545,8 3.77,9 3.918,10 3.248,11 3.325,12 4.818,13 3.279,14 4.304,15 4.5,16 3.612,17 3.745,18 5.285,19 3.661,20 4.586,21 4.813,22 3.651,23 3.911,24 5.447,25 3.795,26 4.699,27 4.959,28 3.517,29 3.896,30 5.544,31 3.733,32 4.687,33 4.98,34 3.355,35 3.794,36 5.474,37 3.617,38 4.559,39 4.859,40 3.158,41 3.657,42 5.334,43 3.467,44 4.407,45 4.734,46 3.047,47 3.456,48 5.12,49 3.262,50 4.009,51 4.293,52 2.942,53 3.108,54 5.001,55 2.994,56 0.057,57 0.614,58 9.23,59 3.528,60 9.622,61 5.187,62 0.171,63 0.977,64 16.178,65 6.692,66 20.777,67 9.528,68 0.143,69 1.214,70 21.851,71 8.091,72 17.381,73 12.127,74 0.218,75 1.267,76 24.918,77 9.093,78 31.603,79 13.658,80 0.223,81 1.185,82 25.113,83 8.342,84 31.279,85 12.977,86 0.201,87 1.022,88 22.118,89 7.47,90 29.287,91 11.547,92 0.122,93 0.833,94 18.987,95 6.883,96 19.81,97 10.521,98 0.107,99 0.627,100 12.696,101 3.691,102 20.129,103 6.062,104 10,105 31,106 0.244,107 0.592,108 0.755,109 0.833,110 0.869,111 0.878,112 3.058,113 0.966,114 -4.78,115 -4.69,116 -4.41,119 40,120 1,121 4,122 1,139 4,140 3,143 1,144 1,147 1,157 2,158 2,159 2,166 13,169 1,170 3,172 3,173 3,175 1,178 17,180 1,182 3,187 1,189 16,191 1,193 3,195 1,196 1,197 1,198 4,200 2,201 11,204 4,205 1,207 3,212 4,215 11,218 4,221 2,226 2,229 8,231 2,234 4,239 3,241 2,243 3,246 6,251 4,256 4,260 2,265 3,270 3,273 442,274 13.378,275 13.378,276 13.378,277 13.378,278 13.378,279 11.745,280 14.697,281 7.849,282 13.556,283 10.866,284 10.866,285 10.866,286 10.866,287 10.866,288 8.493,289 13.854,290 3.754,291 11.167,292 3.961,293 2.013,294 1.107,295 0.669,296 0.469,297 0.419,298 3.738,300 1,301 1,302 1,303 366,304 2.121,307 153.506,311 79.433,314 1.35,315 13.638,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 42,327 170,328 4.418,329 3.276,330 6.503,331 4.056,332 3.084,333 4.092,335 10.181,336 3.004,337 4.172,338 3.024,339 6.058,340 3.815,341 2.819,342 3.778,344 8.73,345 2.805,346 3.553,347 2.433,348 5.274,349 3.309,350 2.339,351 2.832,353 6.716,354 2.272,355 3.327,356 2.221,357 5.062,358 2.971,359 2.034,360 2.563,362 5.801,363 1.898,364 3.211,365 2.133,366 4.967,367 2.905,368 1.952,369 2.328,371 5.738,372 1.855,373 2.869,374 1.616,375 4.137,376 2.414,377 1.414,378 2.027,380 3.682,381 1.414,382 2.783,383 1.467,384 3.709,385 2.411,386 1.413,387 1.88,389 2.967,390 1.41,391 2.091,392 1.297,393 3.599,394 1.981,395 1.006,396 1.066,398 2.565,399 0.978,400 1.512,401 0.506,402 3.014,403 1.306,404 0.323,405 0.37,407 0.802,408 0.317,409 1.192,410 0.167,411 2.686,412 0.909,413 -0.058,414 -0.069,415 -0.137,416 -0.056,417 0.882,418 -0.27,419 2.518,420 0.501,421 -0.433,422 -0.538,423 -1.124,424 -0.4,425 0.733,426 -0.346,427 2.272,428 0.42,429 -0.555,430 -0.658,431 -1.369,432 -0.541,433 0.486,434 -0.558,435 2,436 0.155,437 -0.815,438 -0.864,439 -2.044,440 -0.781,441 0.265,442 -0.686,443 1.863,444 0.132,445 -0.845,446 -1.052,448 -2.366,449 -0.836,450 0.082,451 -1.084,452 1.575,453 -0.17,454 -1.153,455 -1.434,457 -3.132,458 -1.132,459 9.6,460 0.48,461 0.541,462 0.027,463 25.5,464 1.275,465 13,466 0.65,467 12.5,468 0.625,469 16.362,470 0.818,471 21.6,472 0.54,473 15.165,474 0.758,475 4.644,476 0.232,477 4.987,478 0.249,479 0.135,481 0.365,485 1.132,486 1.151,487 0.933,488 0.982,489 1.262,490 0.944,491 0.351,492 0.962,493 0.829,494 1.05,495 0.344,496 1,497 0.96,498 1.167,499 1.062,500 1.149,501 0.802,502 1.122,503 0.807,504 1.109,505 1.114,506 1.209,507 0.819,508 1.197,509 1.125,510 0.937,511 1.072,512 0.985,513 1.222,514 1.017,515 1.098,516 0.852,517 1.077,518 0.954,519 1.153,520 1.003,521 0.456,522 0.868,523 0.661,524 0.834,525 0.466,526 0.78,527 1.22,528 1.25,529 0.893,530 0.974,531 1.05,532 0.912,533 4.5,534 0.025,535 2.222,536 1.438,537 1.44,538 0.299,539 0.403,540 0.283,541 0.119,542 0.114,543 3758,544 8422,545 2.077,546 50,547 10,548 4,551 4,552 2,555 1.617,556 1.935,557 3.068,558 1.879,560 1,562 1,564 54.439,565 1.361,566 3.309,567 4.215,568 4.653,569 4.853,570 4.903,571 2.528,572 4.022,573 4.297,574 3.189,575 605.88,576 7.332,577 6093.16,578 1,579 1,580 1,581 1,582 212.877,583 1.441,584 4.248,585 0.205,586 0.006,587 0.072,588 0.046,589 0.058,590 0.014,591 0.024,592 0.018,593 0.009,594 0.014,595 0.465,596 0.33,597 1,598 0.627,599 88.049,600 -0.142,601 0.087,602 0.023,603 0.109,604 -0.18,605 0.087,606 0.434,607 0.147,608 0.115,609 0.03,610 0.355,611 0.038,612 -0.093,613 -0.113,614 -0.109,615 -0.116,616 -0.07,617 -0.115,618 0.054,619 -0.129,620 -0.157,621 -0.209,622 0.025,623 -0.206,624 -0.142,625 -0.001,626 -0.095,627 -0.031,628 -0.188,629 -0.054,630 -0.16,631 0.066,632 -0.103,633 0.003,634 -0.18,635 -0.036,636 0.203,637 -0.053,638 0.299,639 0.147,640 0.208,641 0.219,642 0.023,643 -0.279,644 0.115,645 -0.06,646 0.164,647 0.021,648 1.376,649 1.997,650 0.8,651 13.5,652 0.987,653 1.133,654 3.549,655 12.599,656 0.653,657 3.135,658 3.466,659 3.714,660 3.97,661 4.205,662 4.174,663 4.263,664 4.369,665 4.466,666 4.369,667 5.032,668 0.608,669 268.4,670 3.135,671 4.673,672 5.517,673 6.395,674 7.256,675 8.136,676 9.004,677 9.884,678 10.755,679 11.636,680 10,684 2,690 2,695 4,696 2,700 6,702 12,711 2,718 40,719 12,720 1,721 22,723 42,724 16,725 10,726 2,727 4,729 3,730 4,734 1,736 3,737 1,739 4,741 10,742 6,743 1,753 1,754 1,757 20,758 4,759 4,760 4,764 4,769 0.667,776 1,781 3,785 1,802 2,806 1,810 20,811 2,816 4,820 1,836 10.333,837 7.233,838 4.333,839 2.429,840 2.272,841 1.337,842 1.002,843 3.515,844 9.02,845 3.367,846 3.97,847 4.489,848 5.001,849 5.476,850 5.473,851 5.577,852 5.868,853 6.214,854 6.415,855 0.833,856 31,857 7.378,859 3.11,860 7.567,861 14.47,863 12.192,865 2.067,866 41.333,867 0.001,870 188.338,871 73.409,872 99.365,877 73.409,878 188.338,879 99.365,880 8.825,881 10.138,882 103.699,883 33.571,884 12.313,885 4.227,886 188.338,888 188.338,889 172.774,893 188.338,897 23.619,898 115.584,899 33.571,901 188.338,902 99.365,903 73.409,906 188.338,907 26.679,908 46.73,910 99.365,911 188.338,912 99.365,913 73.409,915 0.587,916 0.34,917 0.184,918 0.102,919 16,920 7,921 0.048,922 2,923 1,924 1.125,925 3.235,926 151.241,927 0.125,928 16,929 84.439,933 13.228,934 5.314,935 2.746,937 99.365,938 8.582,939 8.411,943 5.774,945 65.794,946 361.112,947 28,956 39.476,957 45.315,958 0.256,959 0.622,960 0.792,961 0.874,962 0.912,963 0.921,964 4.605,965 1.006,966 5.509,967 2.967,968 4.143,969 4.654,971 6.308,972 4.093,973 5.81,974 0.323,975 7.062,976 2.565,977 3.761,978 4.477,980 7.154,981 3.68,982 7.115,983 -0.058,984 8.711,985 0.802,986 5.727,987 6.818,989 10.244,990 5.634,991 8.45,992 -0.433,993 10.415,994 -0.137,995 6.111,996 7.407,998 11.89,999 5.994,1000 9.815,1001 -0.555,1002 12.154,1003 -1.124,1004 7.58,1005 9.265,1007 14.499,1008 7.452,1009 11.2,1010 -0.815,1011 13.917,1012 -1.369,1013 8.336,1014 10.229,1016 16.502,1017 8.186,1018 12.602,1019 -0.845,1020 15.699,1021 -2.044,1022 9.594,1023 11.867,1025 18.926,1026 9.43,1027 3.084,1028 -1.153,1029 17.494,1030 -2.366,1031 10.533,1032 13.027,1034 21.094,1035 10.346,1036 2.819,1037 10.181,1038 19.301,1039 -3.132,1040 11.7,1041 14.551,1043 23.446,1044 11.496,1045 2.339,1046 8.73,1047 21.116,1048 4.092,1049 12.728,1050 15.815,1052 25.689,1053 12.5,1054 2.034,1055 6.716,1056 22.94,1057 3.778,1058 13.857,1059 17.28,1061 28.013,1062 13.61,1063 1.952,1064 5.801,1065 24.769,1066 2.832,1067 14.927,1068 18.602,1070 30.291,1071 14.655,1072 1.414,1073 5.738,1074 26.603,1075 2.563,1076 16.043,1077 20.034,1079 32.606,1080 15.748,1081 1.413,1082 3.682,1083 28.442,1084 2.328,1085 17.135,1086 21.388,1088 34.902,1089 16.814,1090 3664,1091 5575,1092 14.622,1093 26.114,1094 32.965,1095 33.081,1096 33.92,1097 32.828,1098 32.77,1099 41.874,1101 94.362,1102 31.909,1103 5.364,1104 5.276,1105 6.191,1106 5.128,1107 5.084,1108 7.092,1110 17.076,1111 5.004,1112 9.324,1113 1.498,1114 1.504,1115 1.542,1116 1.492,1117 1.49,1118 1.903,1120 4.289,1121 1.45,1122 4.025,1123 4.067,1124 3.961,1125 3.943,1126 5.282,1127 3.939,1128 3.893,1129 3.93,1130 3.836,1131 3.805,1132 4.978,1133 3.808,1134 3.538,1135 3.61,1136 3.428,1137 3.363,1138 4.741,1139 3.374,1140 3.19,1141 3.277,1142 3.031,1143 3.038,1144 4.457,1145 3.02,1146 3.168,1147 3.257,1148 2.98,1149 3.005,1150 4.037,1151 2.985,1152 3.096,1153 3.197,1154 2.933,1155 2.865,1156 3.895,1157 2.876,1158 2.858,1159 2.972,1160 2.642,1161 2.635,1162 3.762,1163 2.63,1164 2.763,1165 2.861,1166 2.582,1167 2.491,1168 3.609,1169 2.503,1170 0.201,1171 0.149,1172 0.296,1173 0.184,1174 0.14,1175 4.418,1176 0.186,1177 3.276,1179 6.503,1180 0.463,1181 4.056,1182 0.137,1183 3.084,1184 4.092,1186 10.181,1187 3.004,1188 1.99,1189 1.957,1190 2.127,1191 2.101,1192 1.472,1193 2.108,1194 1.879,1195 1.844,1196 2.005,1197 1.988,1198 1.167,1199 1.995,1200 1.492,1201 1.429,1202 1.65,1203 1.713,1204 0.805,1205 1.708,1206 1.211,1207 1.135,1208 1.553,1209 1.423,1210 0.743,1211 1.47,1212 1.19,1213 1.11,1214 1.5,1215 1.418,1216 0.603,1217 1.445,1218 1.041,1219 0.955,1220 1.322,1221 1.352,1222 0.4,1223 1.358,1224 0.84,1225 0.74,1226 1.206,1227 1.155,1228 0.122,1229 1.191,1230 0.739,1231 0.627,1232 1.086,1233 1.017,1234 0.076,1235 1.044,1236 3.807,1238 5.13,1240 6.655,1242 8.276,1244 9.944,1246 2.171,1250 11.655,1252 4.131,1256 0.609,1262 24.3,1263 54.439,1264 132.348,1265 168.612,1266 186.122,1267 194.122,1268 196.122,1269 26.215,1270 6.749,1271 77.82,1272 77.82,1273 18,1274 12.173,1275 3.7,1276 2.807,1277 30.002,1278 61,1279 52,1280 0.25,1281 151.681,1282 254.64,1283 361.86,1284 6887,1286 14.113,1287 0.706,1288 0.588,1289 14.113,1290 11.764,1291 9.631,1292 0.438,1293 0.322,1294 7.035,1295 9.429,1296 6.816,1297 5.673,1298 9.631,1299 7.085,1300 8.914,1301 0.288,1302 0.182,1303 8.914,1304 5.632,1305 7.292,1306 0.182,1307 0.105,1308 7.292,1309 4.194,1310 6.157,1311 0.118,1312 0.059,1313 6.157,1314 3.055,1315 5.009,1316 0.076,1317 0.035,1318 5.009,1319 2.306,1320 0.384,1321 59.18,1322 0.262,1323 19.769,1324 0.705,1325 106,1326 235.915,1327 112.383,1328 241.46,1329 339.4,1330 226,1331 124,1332 260.324,1333 129.662,1334 268.548,1335 389.08,1336 253,1337 6.959}
{0 CHEMBL7571,1 1.352,2 6.125,3 2.305,4 5.311,5 67.614,6 6.121,7 0.353,8 3.648,9 3.813,10 3.032,11 3.126,12 4.651,13 3.071,14 4.217,15 4.443,16 3.452,17 3.577,18 5.135,19 3.487,20 4.526,21 4.752,22 3.493,23 3.809,24 5.373,25 3.675,26 4.785,27 5.096,28 3.35,29 3.822,30 5.535,31 3.616,32 4.676,33 5.014,34 3.051,35 3.605,36 5.388,37 3.38,38 4.333,39 4.67,40 2.83,41 3.222,42 5.157,43 3.021,44 3.988,45 4.332,46 2.16,47 2.777,48 4.918,49 2.587,50 3.484,51 3.857,52 1.717,53 2.299,54 4.135,55 2.023,56 0.058,57 0.542,58 9.034,59 3.113,60 9.684,61 4.93,62 0.18,63 0.857,64 15.72,65 5.982,66 21.337,67 8.846,68 0.138,69 1.096,70 21.363,71 7.415,72 17.91,73 11.703,74 0.256,75 1.126,76 26.873,77 8.842,78 33.62,79 14.096,80 0.241,81 0.924,82 24.029,83 6.932,84 31.397,85 11.752,86 0.165,87 0.656,88 17.127,89 4.389,90 27.408,91 7.931,92 0.244,93 0.441,94 12.713,95 1.896,96 31.183,97 4.42,98 0.053,99 0.233,100 6.884,101 2.095,102 9.685,103 3.501,104 27,105 26,106 0.254,107 0.539,108 0.704,109 0.746,110 0.746,111 0.746,112 2.855,113 1.021,114 -4,115 -3.95,116 -3.74,119 33.3,120 3,121 3,122 1,123 1,140 1,143 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 3,172 3,173 3,175 1,178 12,180 1,182 3,187 1,189 10,191 1,193 3,195 1,196 1,197 1,198 4,200 2,201 6,204 4,205 1,207 3,212 4,218 4,221 6,226 4,231 4,239 1,243 1,251 3,256 3,273 216,274 9.919,275 9.919,276 9.919,277 9.919,278 9.919,279 9.09,280 10.201,281 5.532,282 10.098,283 8.379,284 8.379,285 8.379,286 8.379,287 8.379,288 7.117,289 10.304,290 2.628,291 8.68,292 3.818,293 2.299,294 1.425,295 1.202,296 1.202,297 1.202,298 3.492,301 1,302 1,303 199,304 2.915,307 71.148,311 61.094,314 1.156,315 13.335,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 34,327 98,328 4.457,329 3.397,330 7.123,331 4.337,332 3.339,333 4.094,335 11.731,336 3.332,337 4.246,338 3.135,339 6.471,340 3.968,341 3.001,342 3.299,344 10.032,345 2.903,346 3.475,347 2.311,348 5.067,349 3.081,350 2.152,351 2.784,353 6.02,354 1.995,355 3.307,356 2.221,357 5.03,358 2.945,359 2,360 2.553,362 5.795,363 1.887,364 2.622,365 1.61,366 4.59,367 2.542,368 1.555,369 1.626,371 4.627,372 1.533,373 2.087,374 1.287,375 3.709,376 1.977,377 1.004,378 1.062,380 2.565,381 0.975,382 1.219,383 0.146,384 2.941,385 0.944,391 0.859,392 -0.289,393 2.654,394 0.479,395 -0.446,396 -0.551,398 -1.156,399 -0.411,400 0.296,401 -0.545,402 2.491,403 0.153,404 -0.814,405 -0.863,407 -2.11,408 -0.774,409 0.265,410 -0.684,411 2.137,412 0.101,413 -0.858,414 -0.967,415 -2.546,416 -0.838,418 -1,419 2,421 -1,422 -1,423 -3,424 -1,426 -1,427 2,429 -1,430 -1,431 -3,432 -1,433 -0.23,434 -1.387,435 1.548,436 -0.547,437 -1.509,438 -1.71,439 -4.191,440 -1.394,441 -0.339,442 -1.451,443 1.401,444 -0.622,445 -1.551,446 -1.904,448 -4.988,449 -1.484,450 -0.5,451 -1.759,452 1.112,453 -0.887,454 -1.873,455 -2.196,457 -5.858,458 -1.842,459 7.6,460 0.475,461 0.71,462 0.044,463 17,464 1.063,465 7,466 0.438,467 10,468 0.625,469 16.07,470 1.004,471 18.8,472 0.522,473 8.917,474 0.557,475 2.605,476 0.163,477 4.771,478 0.298,479 0.303,480 0.066,481 0.329,485 1.159,486 1.394,487 1.05,488 1.187,489 1.369,490 1.117,491 0.312,492 0.957,493 0.738,494 1.011,495 0.248,496 0.937,497 0.941,498 1.423,499 1.218,500 1.428,501 0.828,502 1.365,503 0.645,504 1.011,505 0.941,506 1.088,507 0.631,508 1.054,509 0.992,510 0.886,511 0.951,512 0.902,513 1.082,514 0.919,515 1.005,516 1.115,517 0.88,518 0.954,519 0.952,520 0.91,521 2.87,522 0.505,523 1.616,524 0.571,525 2.583,526 0.893,527 0.361,528 0.902,529 0.582,530 0.83,531 0.362,532 0.746,533 5.5,535 2.444,536 1.438,537 1.258,538 0.75,539 0.184,540 0.177,543 1635,544 3288,545 1.909,546 55.6,547 14,551 4,552 2,555 1.555,556 1.699,557 2.633,558 2.137,560 1,561 1,562 1,564 48.659,565 1.352,566 2.871,567 3.745,568 3.968,569 3.968,570 3.968,571 2.25,572 3.328,573 3.975,574 2.754,575 330.482,576 6.709,577 2764.22,579 1,581 1,582 186.117,583 1.823,584 3.859,585 0.324,587 0.094,588 0.058,589 0.063,590 0.054,591 0.017,592 0.044,595 0.652,596 0.5,597 1,598 1.024,599 62.785,600 -0.138,601 0.013,602 0.014,603 0.071,604 -0.233,605 0.062,606 0.471,607 0.245,608 0.259,609 0.172,610 0.447,611 0.188,612 -0.119,613 -0.23,614 -0.226,615 -0.268,616 -0.111,617 -0.261,618 0.118,619 -0.088,620 -0.005,621 -0.094,622 0.113,623 -0.068,624 -0.071,625 -0.035,626 -0.009,627 0.001,628 -0.12,629 0.003,630 0.024,631 -0.272,632 0.078,633 -0.083,634 0.109,635 -0.009,636 -0.819,637 0.428,638 -0.528,639 0.076,640 -0.739,641 -0.154,642 0.252,643 -0.226,644 0.295,645 0.041,646 0.376,647 0.154,648 1.37,649 1.917,650 0.625,651 8.438,652 0.985,653 1.148,654 2.767,655 7.658,656 0.614,657 2.89,658 3.296,659 3.466,660 3.689,661 3.932,662 4.007,663 3.932,664 3.912,665 3.611,666 3.296,667 3.873,668 0.564,669 220.36,670 2.89,671 4.466,672 5.303,673 6.213,674 7.076,675 7.982,676 8.854,677 9.759,678 10.635,679 11.539,680 11.1,684 2,690 2,696 2,700 4,702 6,711 2,718 36,719 6,721 17,723 37,724 12,725 4,729 2,730 3,734 3,735 1,736 3,737 1,739 3,741 4,742 8,743 1,754 1,757 20,758 4,759 4,760 4,764 4,769 0.5,776 1,781 2,785 1,802 1,806 3,810 16,811 2,816 3,820 1,822 1,836 9.417,837 7.15,838 3.306,839 2.158,840 1.249,841 1.208,842 0.927,843 2.725,844 7.243,845 3.045,846 3.651,847 4.082,848 4.571,849 5.052,850 5.2,851 5.197,852 5.389,853 5.411,854 5.129,855 1,856 25,857 5.908,859 2.466,860 7.609,861 11.584,863 9.781,865 2.109,866 33.75,867 0.004,870 188.338,871 44.249,872 99.365,877 44.249,878 188.338,879 99.365,880 26.476,881 7.604,882 65.794,883 33.571,884 5.942,885 4.227,886 188.338,888 188.338,889 143.614,893 188.338,897 38.735,898 71.308,899 33.571,901 188.338,902 99.365,903 44.249,906 188.338,907 17.773,908 26.476,910 99.365,911 188.338,912 99.365,913 44.249,915 0.615,916 0.331,917 0.162,918 0.093,919 14,920 7,921 0.027,922 1,923 1,924 1.2,925 2.65,926 109.977,927 0.2,928 10,929 59.245,933 11.497,934 3.793,935 2.258,937 99.365,939 8.326,943 3.021,945 65.794,946 331.952,947 20,956 35.476,957 41.315,958 0.261,959 0.555,960 0.724,961 0.767,962 0.767,963 0.767,964 4.35,965 -0.446,966 5.398,968 3.97,969 4.331,971 6.293,972 3.91,973 5.607,974 -0.814,975 7.033,976 -1.156,977 4.007,978 4.443,980 7.6,981 3.944,982 6.963,983 -0.858,984 8.778,985 -2.11,986 5.733,987 6.5,989 10.572,990 5.641,991 8.345,992 -1,993 10.585,994 -2.546,995 6.463,996 7.271,998 12.598,999 6.382,1000 9.752,1001 -1,1002 12.431,1003 -3,1004 7.822,1005 8.962,1007 15.205,1008 7.723,1009 11.175,1010 -1.509,1011 14.303,1012 -3,1013 8.825,1014 10.031,1016 17.49,1017 8.736,1018 12.61,1019 -1.551,1020 16.194,1021 -4.191,1022 10.065,1023 11.575,1025 19.984,1026 9.965,1027 3.339,1028 -1.873,1029 18.098,1030 -4.988,1031 11.177,1032 12.798,1034 22.366,1035 11.083,1036 3.001,1037 11.731,1038 20.012,1039 -5.858,1040 12.377,1041 14.273,1043 24.824,1044 12.279,1045 2.152,1046 10.032,1047 21.934,1048 4.094,1049 13.533,1050 15.579,1052 27.244,1053 13.438,1054 2,1055 6.02,1056 23.862,1057 3.299,1058 14.723,1059 17.021,1061 29.693,1062 14.625,1063 1.555,1064 5.795,1065 25.795,1066 2.784,1067 15.897,1068 18.373,1070 32.13,1071 15.802,1072 1.004,1073 4.627,1074 27.732,1075 2.553,1076 17.085,1077 19.798,1079 34.579,1080 16.989,1082 2.565,1083 29.672,1084 1.626,1085 18.269,1086 21.175,1088 37.024,1089 18.174,1090 1750,1091 2584,1092 10.345,1093 22.114,1094 26.356,1095 26.436,1096 27.274,1097 26.123,1098 26.102,1099 30.837,1101 81.54,1102 25.249,1103 5.402,1104 5.397,1105 6.397,1106 5.408,1107 5.339,1108 7.094,1110 18.759,1111 5.332,1112 9.938,1113 1.55,1114 1.555,1115 1.604,1116 1.537,1117 1.535,1118 1.814,1120 4.796,1121 1.485,1122 4.011,1123 4.058,1124 3.948,1125 3.905,1126 5.282,1127 3.906,1128 3.72,1129 3.783,1130 3.615,1131 3.579,1132 4.978,1133 3.581,1134 3.378,1135 3.465,1136 3.214,1137 3.183,1138 4.48,1139 3.182,1140 3.153,1141 3.257,1142 3.014,1143 2.927,1144 4.301,1145 2.931,1146 2.906,1147 3.029,1148 2.667,1149 2.627,1150 3.886,1151 2.63,1152 2.874,1153 3.009,1154 2.579,1155 2.618,1156 3.659,1157 2.57,1158 2.874,1159 3.009,1160 2.499,1161 2.618,1162 3.467,1163 2.57,1164 2.767,1165 2.882,1166 2.499,1167 2.48,1168 3.467,1169 2.495,1170 0.262,1171 0.2,1172 0.419,1173 0.255,1174 0.196,1175 4.457,1176 0.241,1177 3.397,1179 7.123,1180 0.69,1181 4.337,1182 0.196,1183 3.339,1184 4.094,1186 11.731,1187 3.332,1188 1.97,1189 1.93,1190 2.125,1191 2.1,1192 1.49,1193 2.107,1194 1.697,1195 1.642,1196 1.888,1197 1.878,1198 1.086,1199 1.884,1200 1.354,1201 1.274,1202 1.584,1203 1.6,1204 0.751,1205 1.614,1206 1.112,1207 1.025,1208 1.417,1209 1.408,1210 0.568,1211 1.407,1212 0.934,1213 0.804,1214 1.417,1215 1.239,1216 0.469,1217 1.308,1218 0.934,1219 0.804,1220 1.414,1221 1.239,1222 0.469,1223 1.308,1224 0.87,1225 0.752,1226 1.232,1227 1.218,1228 0.093,1229 1.252,1230 0.722,1231 0.608,1232 1.084,1233 1.054,1235 1.071,1236 3.555,1238 4.934,1240 6.5,1242 8.151,1244 9.847,1246 6.824,1250 11.517,1252 3.103,1256 0.648,1258 0.311,1262 20.3,1263 48.659,1264 103.362,1265 134.833,1266 142.833,1267 142.833,1268 142.833,1269 24.346,1270 5.994,1271 77.82,1272 77.82,1273 12,1274 12.064,1275 2.807,1276 2,1277 25.844,1278 38,1279 32,1280 0.372,1281 129.487,1282 216.62,1283 307.708,1284 2284,1286 11.922,1287 0.745,1288 0.64,1289 11.922,1290 10.248,1291 7.376,1292 0.434,1293 0.34,1294 5.735,1295 7.174,1296 5.429,1297 4.591,1298 7.376,1299 5.784,1300 7.854,1301 0.302,1302 0.219,1303 7.854,1304 5.698,1305 5.483,1306 0.177,1307 0.114,1308 5.483,1309 3.547,1310 4.467,1311 0.115,1312 0.061,1313 4.467,1314 2.397,1315 3.487,1316 0.07,1317 0.034,1318 3.487,1319 1.703,1320 0.545,1321 45.65,1322 0.311,1323 15.643,1324 1.134,1325 86,1326 181.915,1327 92.383,1328 186.082,1329 258.32,1330 172,1331 100,1332 199.324,1333 105.662,1334 206.877,1335 298.24,1336 192,1337 7.187}
{0 CHEMBL7586,1 1.555,2 7.667,3 2.541,4 6.455,5 77.642,6 7.659,7 0.55,8 3.632,9 3.768,10 3.286,11 3.241,12 4.691,13 3.173,14 4.158,15 4.334,16 3.617,17 3.657,18 5.164,19 3.551,20 4.419,21 4.648,22 3.515,23 3.725,24 5.271,25 3.596,26 4.501,27 4.764,28 3.441,29 3.706,30 5.365,31 3.542,32 4.429,33 4.698,34 3.338,35 3.614,36 5.296,37 3.436,38 4.333,39 4.631,40 3.108,41 3.457,42 5.138,43 3.223,44 3.949,45 4.256,46 2.965,47 3.09,48 4.765,49 2.882,50 3.441,51 3.681,52 2.918,53 2.647,54 4.595,55 2.543,56 0.046,57 0.553,58 7.775,59 3.144,60 8.339,61 4.149,62 0.15,63 0.886,64 15.225,65 6.223,66 18.273,67 8.003,68 0.127,69 1.039,70 18.95,71 6.977,72 15.896,73 9.805,74 0.208,75 1.076,76 22.756,77 7.941,78 29.107,79 10.975,80 0.197,81 0.998,82 21.235,83 6.925,84 27.857,85 9.645,86 0.213,87 0.87,88 23.419,89 7.114,90 28.182,91 9.247,92 0.095,93 0.584,94 15.914,95 5.184,96 15.69,97 6.738,98 0.128,99 0.424,100 9.426,101 1.719,102 15.253,103 2.674,104 5,105 28,106 0.289,107 0.651,108 0.785,109 0.859,110 0.881,111 0.881,112 2.961,113 1.062,114 -4.09,115 -4.04,116 -3.82,119 38.2,121 4,122 1,139 1,140 2,143 1,144 1,147 1,148 2,157 2,158 2,159 2,166 7,169 1,170 3,172 3,173 3,175 1,178 10,180 1,182 3,187 1,189 8,191 1,193 3,195 1,196 1,197 1,198 4,200 2,201 5,204 4,205 1,207 3,212 4,215 4,218 4,221 2,226 2,229 2,231 2,234 2,239 2,243 2,246 2,251 2,256 2,265 1,270 1,273 302,274 12.171,275 12.171,276 12.171,277 12.171,278 12.171,279 10.72,280 13.839,281 7.207,282 12.56,283 9.905,284 9.905,285 9.905,286 9.905,287 9.905,288 7.775,289 13.245,290 3.474,291 10.511,292 3.533,293 1.589,294 0.868,295 0.471,296 0.353,297 0.353,298 3.638,300 1,301 1,302 1,303 301,304 2,306 44.638,307 81.928,311 70.058,314 1.37,315 12.964,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 38,327 138,328 4.418,329 3.273,330 6.503,331 4.052,332 3.081,333 4.092,335 10.179,336 2.996,337 3.95,338 2.805,339 5.564,340 3.605,341 2.631,342 3.489,344 7.638,345 2.562,346 3.538,347 2.372,348 5.102,349 3.207,350 2.261,351 2.829,353 6.262,354 2.138,355 3.322,356 2.221,357 5.058,358 2.961,359 2.023,360 2.562,362 5.797,363 1.893,364 3.171,365 2.037,366 4.916,367 2.877,368 1.926,369 2.262,371 5.613,372 1.824,373 2.554,374 1.323,375 3.71,376 2.02,377 1.166,378 1.573,380 2.57,381 0.989,382 2.118,383 1.265,384 3.436,385 1.973,386 1.005,387 1.065,389 2.564,390 0.953,391 2.091,392 0.618,393 3,394 1.503,395 0.618,396 0.927,398 1.372,399 0.532,400 1.38,401 0.321,402 2.858,403 1.142,404 0.191,405 0.218,407 0.489,408 0.181,409 0.927,410 -0.186,411 2.644,412 0.584,413 -0.356,414 -0.429,415 -0.983,416 -0.331,417 0.765,418 -0.304,419 2.494,420 0.457,421 -0.475,422 -0.572,423 -1.224,424 -0.44,425 0.265,426 -0.559,427 2.197,428 0.148,429 -0.815,430 -0.864,431 -2.187,432 -0.783,433 0.23,434 -0.725,435 1.666,436 -0.002,437 -0.957,438 -1.094,439 -2.588,440 -0.901,441 -0.118,442 -1.368,443 1.457,444 -0.535,445 -1.46,446 -1.723,448 -3.445,449 -1.25,450 -0.123,451 -1.401,452 1.192,453 -0.603,454 -1.519,455 -1.903,457 -4.198,458 -1.395,459 8.933,460 0.496,461 0.452,462 0.025,463 22.5,464 1.25,465 11,466 0.611,467 11.5,468 0.639,469 14.502,470 0.806,471 19.267,472 0.567,473 12.063,474 0.67,475 3.842,476 0.213,477 4.879,478 0.271,479 0.09,481 0.336,485 1.128,486 1.053,487 0.792,488 0.805,489 1.25,490 0.842,491 0.393,492 0.949,493 0.921,494 1.056,495 0.317,496 1.013,497 0.974,498 1.127,499 0.855,500 0.99,501 0.823,502 1.11,503 0.827,504 0.978,505 0.894,506 0.979,507 0.796,508 1.064,509 1.266,510 0.956,511 0.97,512 0.919,513 1.408,514 1.07,515 1.239,516 0.818,517 1.231,518 1.009,519 1.258,520 0.976,521 0.623,522 0.927,523 0.842,524 0.877,525 0.504,526 0.725,527 1.877,528 1.412,529 1.102,530 1.11,531 1.992,532 0.936,533 4,534 0.02,535 1.556,536 1.285,537 1.053,538 0.285,539 0.344,540 0.127,541 0.11,542 0.047,543 2875,544 7603,545 2.12,546 47.1,547 7,548 1,549 2,551 4,552 2,555 1.585,556 2,557 2.945,558 2.05,560 1,562 1,564 52.868,565 1.555,566 3.498,567 4.22,568 4.617,569 4.735,570 4.735,571 2.558,572 2.975,573 4.142,574 3.075,575 470.419,576 7.022,577 4346.63,578 1,579 1,581 1,582 172.974,583 1.352,584 4.109,585 0.2,586 0.01,587 0.056,588 0.051,589 0.048,590 0.016,591 0.026,592 0.011,593 0.012,594 0.012,595 0.441,596 0.5,597 1,598 0.584,599 75.813,600 -0.18,601 0.121,602 0.049,603 0.158,604 -0.186,605 0.114,606 0.386,607 0.125,608 -0.005,609 -0.039,610 0.369,611 -0.017,612 -0.113,613 -0.159,614 -0.111,615 -0.139,616 -0.084,617 -0.158,618 0.063,619 -0.057,620 -0.065,621 -0.097,622 0.08,623 -0.102,624 -0.234,625 -0.013,626 -0.117,627 -0.047,628 -0.29,629 -0.131,630 -0.214,631 0.101,632 -0.112,633 0.026,634 -0.214,635 0.006,636 0.204,637 -0.079,638 0.282,639 0.186,640 0.294,641 0.302,642 -0.112,643 -0.271,644 0.152,645 -0.095,646 -0.247,647 -0.067,648 1.373,649 1.949,650 0.833,651 11.753,652 0.994,653 1.13,654 2.863,655 8.196,656 0.683,657 3.045,658 3.367,659 3.611,660 3.892,661 4.043,662 4.078,663 4.174,664 4.22,665 4.317,666 4.143,667 4.655,668 0.63,669 260.4,670 3.045,671 4.575,672 5.416,673 6.293,674 7.151,675 8.031,676 8.895,677 9.777,678 10.645,679 11.527,680 11.8,684 2,690 2,695 3,696 2,699 1,700 5,702 11,711 2,718 34,719 11,721 20,723 36,724 13,725 8,729 3,730 4,736 3,737 1,739 4,741 8,742 5,743 1,753 1,754 1,757 16,758 4,759 4,760 5,761 1,764 4,769 0.667,776 1,780 1,781 2,785 1,802 2,804 1,810 18,811 2,816 4,820 1,825 1,836 9,837 5.817,838 3.889,839 2.006,840 1.949,841 1.3,842 1.018,843 3.205,844 8.45,845 3.277,846 3.866,847 4.377,848 4.907,849 5.194,850 5.322,851 5.462,852 5.704,853 6.071,854 6.2,855 1,856 25,857 6.64,859 2.829,860 7.583,861 13.02,863 11.089,865 2.083,866 37.5,867 0.002,870 141.253,871 79.545,872 99.365,876 31.278,877 48.267,878 141.253,879 99.365,881 10.138,882 90.569,883 33.571,884 9.128,885 27.769,886 148.989,888 141.253,889 147.633,891 31.278,893 141.253,897 14.794,898 99.268,899 33.571,900 31.278,901 141.253,902 99.365,903 79.545,906 141.253,907 54.771,908 24.774,910 99.365,911 141.253,912 99.365,913 79.545,915 0.583,916 0.333,917 0.187,918 0.093,919 15,920 6,921 0.056,922 2,923 1,924 1.133,925 3.102,926 130.494,927 0.133,928 15,929 75.059,930 1,933 11.908,934 4.845,935 2.513,937 99.365,938 6.547,939 8.36,942 1.753,943 4.427,945 65.794,946 320.164,947 25.5,956 33.785,957 38.404,958 0.306,959 0.688,960 0.829,961 0.908,962 0.931,963 0.931,964 4.508,965 0.618,966 5.398,967 2.564,968 4.043,969 4.549,971 6.184,972 3.945,973 5.701,974 0.191,975 6.936,976 1.372,977 3.611,978 4.311,980 6.986,981 3.516,982 6.996,983 -0.356,984 8.57,985 0.489,986 5.609,987 6.689,989 10.084,990 5.453,991 8.324,992 -0.475,993 10.258,994 -0.983,995 5.969,996 7.27,998 11.708,999 5.808,1000 9.681,1001 -0.815,1002 11.983,1003 -1.224,1004 7.439,1005 9.103,1007 14.32,1008 7.237,1009 11.059,1010 -0.957,1011 13.734,1012 -2.187,1013 8.181,1014 10.081,1016 16.323,1017 7.965,1018 12.455,1019 -1.46,1020 15.505,1021 -2.588,1022 9.434,1023 11.681,1025 18.756,1026 9.188,1027 3.081,1028 -1.519,1029 17.291,1030 -3.445,1031 10.367,1032 12.861,1034 20.934,1035 10.101,1036 2.631,1037 10.179,1038 19.092,1039 -4.198,1040 11.531,1041 14.356,1043 23.298,1044 11.239,1045 2.261,1046 7.638,1047 20.903,1048 4.092,1049 12.558,1050 15.64,1052 25.555,1053 12.242,1054 2.023,1055 6.262,1056 22.724,1057 3.489,1058 13.689,1059 17.086,1061 27.892,1062 13.346,1063 1.926,1064 5.797,1065 24.554,1066 2.829,1067 14.762,1068 18.425,1070 30.183,1071 14.393,1072 1.166,1073 5.613,1074 26.39,1075 2.562,1076 15.881,1077 19.848,1079 32.509,1080 15.486,1081 1.005,1082 2.57,1083 28.233,1084 2.262,1085 16.977,1086 21.216,1088 34.816,1089 16.555,1090 2784,1091 4603,1092 13.523,1093 23.239,1094 30.131,1095 29.914,1096 29.894,1097 29.761,1098 29.807,1099 38.033,1101 84.967,1102 28.135,1103 5.363,1104 5.273,1105 6.117,1106 5.124,1107 5.081,1108 7.092,1110 17.073,1111 4.996,1112 7.005,1113 1.507,1114 1.496,1115 1.495,1116 1.488,1117 1.49,1118 1.902,1120 4.248,1121 1.407,1122 4.013,1123 4.055,1124 4.207,1125 3.957,1126 5.282,1127 3.922,1128 3.839,1129 3.859,1130 3.926,1131 3.814,1132 4.978,1133 3.775,1134 3.513,1135 3.58,1136 3.454,1137 3.352,1138 4.667,1139 3.351,1140 3.173,1141 3.268,1142 3.037,1143 2.999,1144 4.454,1145 2.98,1146 3.051,1147 3.151,1148 2.975,1149 2.823,1150 4.007,1151 2.825,1152 2.822,1153 2.943,1154 2.634,1155 2.52,1156 3.729,1157 2.519,1158 2.645,1159 2.757,1160 2.579,1161 2.444,1162 3.391,1163 2.422,1164 2.458,1165 2.547,1166 2.367,1167 2.368,1168 3.355,1169 2.288,1170 0.221,1171 0.164,1172 0.325,1173 0.203,1174 0.154,1175 4.418,1176 0.205,1177 3.273,1179 6.503,1180 0.509,1181 4.052,1182 0.15,1183 3.081,1184 4.092,1186 10.179,1187 2.996,1188 1.952,1189 1.912,1190 2.094,1191 2.087,1192 1.463,1193 2.088,1194 1.634,1195 1.593,1196 1.764,1197 1.794,1198 0.975,1199 1.79,1200 1.386,1201 1.34,1202 1.578,1203 1.57,1204 0.751,1205 1.587,1206 1.305,1207 1.294,1208 1.441,1209 1.41,1210 0.601,1211 1.432,1212 1.131,1213 1.053,1214 1.302,1215 1.327,1216 0.538,1217 1.397,1218 0.929,1219 0.831,1220 1.22,1221 1.221,1222 0.205,1223 1.267,1224 0.757,1225 0.633,1226 1.109,1227 1.082,1228 0.07,1229 1.11,1230 0.521,1231 0.399,1232 0.954,1233 0.844,1235 0.898,1236 3.714,1238 5.03,1239 2.398,1240 6.535,1241 4.443,1242 8.137,1243 6.26,1244 9.793,1250 11.575,1252 4.198,1256 0.64,1262 21.434,1263 52.868,1264 118.935,1265 143.464,1266 156.974,1267 160.974,1268 160.974,1269 21.764,1270 6.501,1271 77.82,1272 106.06,1273 17,1274 12.064,1275 3.585,1276 2.7,1277 25.785,1278 52,1279 40,1280 0.261,1281 136.962,1282 223.89,1283 325.947,1284 4900,1286 12.535,1287 0.696,1288 0.606,1289 12.889,1290 10.912,1291 8.72,1292 0.436,1293 0.354,1294 6.173,1295 8.019,1296 5.942,1297 4.906,1298 9.22,1299 7.082,1300 8.043,1301 0.287,1302 0.201,1303 8.541,1304 5.617,1305 6.508,1306 0.181,1307 0.118,1308 7.042,1309 4.261,1310 5.703,1311 0.119,1312 0.069,1313 6.267,1314 3.328,1315 4.147,1316 0.074,1317 0.04,1318 4.416,1319 2.213,1320 0.398,1321 58.716,1322 0.272,1323 17.983,1324 0.745,1325 96,1326 228.775,1327 121.325,1328 252.223,1329 348.59,1330 236,1331 112,1332 248.381,1333 132.694,1334 267.446,1335 386.61,1336 251,1337 6.886}
{0 CHEMBL77409,1 1.727,2 11.64,3 1.998,4 3.994,5 91.359,6 8.676,7 0.63,8 3.8,9 3.899,10 3.463,11 3.317,12 5.136,13 3.349,14 4.236,15 4.35,16 3.836,17 3.677,18 5.711,19 3.69,20 4.443,21 4.587,22 3.885,23 3.783,24 5.779,25 3.787,26 4.545,27 4.712,28 3.762,29 3.673,30 5.924,31 3.671,32 4.411,33 4.607,34 3.523,35 3.512,36 5.68,37 3.488,38 4.269,39 4.492,40 3.395,41 3.387,42 5.505,43 3.342,44 4.124,45 4.306,46 3.425,47 3.299,48 5.675,49 3.277,50 3.958,51 4.12,52 3.315,53 3.256,54 5.398,55 3.227,56 0.174,57 0.584,58 5.938,59 3.08,60 26.836,61 3.163,62 0.453,63 0.872,64 10.367,65 5.287,66 57.107,67 5.858,68 0.354,69 1.038,70 13.395,71 6.13,72 39.859,73 6.943,74 0.659,75 1.017,76 18.372,77 6.746,78 87.524,79 7.296,80 0.574,81 0.888,82 17.139,83 5.714,84 82.603,85 6.585,86 0.507,87 0.763,88 15.737,89 5.21,90 66.371,91 6.771,92 0.638,93 0.632,94 13.474,95 4.919,96 95.19,97 6.237,98 0.351,99 0.602,100 9.236,101 3.914,102 49.958,103 4.776,104 27,105 38,106 0.304,107 0.662,108 0.742,109 0.83,110 0.848,111 0.866,112 3.266,113 0.807,114 -4.2,115 -4.14,116 -3.92,119 43.6,125 1,139 7,140 4,143 1,144 1,147 1,153 2,157 2,158 2,159 2,161 1,165 1,166 10,167 1,169 2,170 7,172 3,173 4,175 2,178 10,179 2,180 1,182 11,187 3,189 5,190 2,191 1,193 12,195 1,196 1,197 1,198 6,200 2,201 1,202 1,204 4,205 1,207 6,212 4,215 4,218 3,220 2,221 2,222 2,223 1,224 1,226 1,229 8,231 1,233 2,237 2,241 9,245 2,246 2,248 2,249 2,251 1,254 6,255 1,256 1,260 5,265 3,268 2,269 2,270 2,273 873,274 16.447,275 16.447,276 16.447,277 16.447,278 16.447,279 14.151,280 15.098,281 9.516,282 16.727,283 13.283,284 13.283,285 13.283,286 13.283,287 13.283,288 9.74,289 16.053,290 4.499,291 13.713,292 3.559,293 1.521,294 1.068,295 0.564,296 0.462,297 0.359,298 3.945,300 1,301 1,302 1,303 618,304 3.391,307 226.171,311 118.999,314 1.734,315 37.534,317 1,318 1,319 1,320 1,321 0.4,323 0.83,324 0.5,325 0.68,326 56,327 291,328 4.541,329 3.668,330 6.502,331 4.048,332 3.079,333 4.491,334 1.727,335 10.175,336 2.989,337 4.239,338 3.571,339 6.062,340 3.863,341 2.866,342 3.836,343 1.437,344 8.682,345 2.848,346 3.946,347 3.129,348 5.863,349 3.604,350 2.611,351 3.311,352 0.636,353 7.972,354 2.577,355 3.762,356 2.671,357 5.311,358 3.361,359 2.392,360 3.22,362 6.876,363 2.314,364 3.429,365 2.282,366 5.062,367 2.976,368 2.044,369 2.811,371 5.803,372 1.899,373 3.376,374 2.191,375 4.971,376 2.912,377 1.965,378 2.7,380 5.757,381 1.856,382 3.079,383 2.051,384 4.258,385 2.584,386 1.599,387 2.196,389 3.991,390 1.551,391 2.607,392 1.675,393 3.717,394 2.098,395 1.118,396 1.549,398 2.728,399 1.075,400 2.5,401 1.445,402 3.703,403 2,404 1.006,405 1.5,407 2.565,408 1,409 2.453,410 1.057,411 3.414,412 1.981,413 1,414 1.431,415 2.275,416 0.979,417 1.856,418 1,419 3.101,420 1.499,421 0.539,422 0.67,423 1.27,424 0.508,425 1.336,426 0.461,427 2.707,428 0.907,429 -0.028,430 -0.037,431 -0.07,432 -0.026,433 0.97,434 0.353,435 2.539,436 0.504,437 -0.442,438 -0.571,439 -1.144,440 -0.407,441 0.961,442 -0.056,443 2.38,444 0.479,445 -0.523,446 -0.687,448 -1.206,449 -0.519,450 0.621,451 -0.296,452 2.089,453 0.214,454 -0.761,455 -0.966,457 -1.926,458 -0.731,459 11.433,460 0.457,461 0.736,462 0.029,463 36.25,464 1.45,465 20,466 0.8,467 16.25,468 0.65,469 15.25,470 0.61,471 26.367,472 0.676,473 27.945,474 1.118,475 7.522,476 0.301,477 4.414,478 0.177,479 0.157,481 0.394,485 0.9,486 1.059,487 0.724,488 0.87,489 0.848,490 0.753,491 0.548,492 0.869,493 0.684,494 0.936,495 0.433,496 0.88,497 0.879,498 1.269,499 0.931,500 1.229,501 0.733,502 1.113,503 1.378,504 1.085,505 1.214,506 1.145,507 1.241,508 1.149,509 1.306,510 1.029,511 1.238,512 1.041,513 1.208,514 1.096,515 0.816,516 0.726,517 0.974,518 0.896,519 0.87,520 0.949,521 0.559,522 0.817,523 0.713,524 0.855,525 0.55,526 0.847,527 0.614,528 0.965,529 0.945,530 1.079,531 0.738,532 1.117,533 6,534 0.103,535 3.333,536 1.688,537 1.56,538 0.764,539 0.446,540 0.283,541 0.25,542 0.204,543 7555,544 27191,545 2.015,546 35.9,548 9,551 5,555 1.674,556 1.852,557 3.489,558 2.647,559 1,560 1,562 1,564 67.341,565 1.727,566 3.765,567 4.217,568 4.721,569 4.824,570 4.926,571 2.934,572 4.324,573 4.616,574 3.655,575 1096.38,576 7.949,577 13703.9,578 1,579 1,581 1,582 206.131,583 1.516,584 4.555,585 0.222,586 0.006,587 0.088,588 0.043,589 0.049,590 0.031,591 0.02,592 0.012,593 0.012,594 0.011,595 0.493,596 0.17,597 1,598 0.836,599 122.701,600 -0.177,601 0.085,602 -0.031,603 0.121,604 -0.202,605 0.109,606 0.259,607 0.206,608 0.09,609 0.074,610 0.217,611 0.03,612 -0.112,613 -0.22,614 -0.104,615 -0.241,616 -0.034,617 -0.177,618 -0.248,619 -0.146,620 -0.221,621 -0.173,622 -0.167,623 -0.194,624 -0.272,625 -0.086,626 -0.209,627 -0.078,628 -0.226,629 -0.108,630 0.066,631 0.211,632 0.088,633 0.084,634 -0.038,635 0.102,636 0.492,637 0.043,638 0.344,639 0.186,640 0.455,641 0.218,642 0.21,643 0.037,644 -0.047,645 -0.079,646 0.119,647 -0.139,648 2.725,649 5.039,650 0.64,651 22.47,652 1.029,653 1.126,654 2.971,655 8.825,656 0.683,657 3.332,658 3.664,659 3.892,660 4.094,661 4.317,662 4.357,663 4.394,664 4.331,665 4.443,666 4.443,667 6.751,668 0.682,669 338.35,670 3.332,671 4.875,672 5.714,673 6.583,674 7.438,675 8.309,676 9.169,677 10.04,678 10.903,679 11.775,680 10.3,684 2,690 2,694 2,695 7,696 2,700 5,702 17,709 1,710 1,711 2,718 39,719 19,720 2,721 27,723 41,724 17,725 14,726 5,727 7,728 2,729 3,730 4,741 16,742 1,744 2,748 2,751 2,753 1,754 1,757 14,758 8,759 5,760 8,764 4,769 0.667,770 4,776 1,781 3,785 1,800 1,802 2,810 25,811 2,815 1,816 1,818 1,829 10.3,831 1,832 2,834 1,836 13.5,837 6.85,838 5.444,839 2,840 3.36,841 1.473,842 0.973,843 4.611,844 10.469,845 3.651,846 4.29,847 4.881,848 5.45,849 6.033,850 6.3,851 6.618,852 6.778,853 7.149,854 7.12,855 0.875,856 39,857 9.184,859 3.97,860 8.22,861 16.591,863 13.23,865 2.72,866 68,870 105.94,871 97.528,872 99.365,874 103.973,877 97.528,878 209.913,879 99.365,881 4.592,882 132.128,883 134.645,884 25.274,885 4.227,886 105.94,888 105.94,889 196.894,890 103.973,893 105.94,894 103.973,897 8.636,898 154.687,899 33.571,901 105.94,902 203.339,903 97.528,906 105.94,907 31.194,908 66.334,910 203.339,911 105.94,912 203.339,913 97.528,915 0.591,916 0.339,917 0.17,918 0.092,919 18,920 9,921 0.122,922 5,923 1,924 1.125,925 3.715,926 198.095,927 0.125,928 16,929 112.096,933 16.831,934 6.849,935 3.738,936 1.22,937 203.339,938 10.685,939 7.971,943 1.416,945 108.478,946 406.807,947 37.5,951 22.843,954 -1.616,956 40.134,957 43.907,958 0.327,959 0.712,960 0.798,961 0.893,962 0.913,963 0.932,964 4.877,965 1.118,966 5.714,967 3.991,968 4.344,969 4.977,970 2.477,971 6.506,972 4.286,973 6.112,974 1.006,975 7.272,976 2.728,977 4.007,978 4.89,980 7.372,981 3.935,982 7.432,983 1,984 8.924,985 2.565,986 5.932,987 7.236,988 3.32,989 10.417,990 5.829,991 8.785,992 0.539,993 10.629,994 2.275,995 6.347,996 7.923,998 12.061,999 6.235,1000 10.164,1001 -0.028,1002 12.367,1003 1.27,1004 7.783,1005 9.783,1006 4.275,1007 14.631,1008 7.643,1009 11.564,1010 -0.442,1011 14.127,1012 -0.07,1013 8.545,1014 10.851,1016 16.62,1017 8.394,1018 12.979,1019 -0.523,1020 15.903,1021 -1.144,1022 9.779,1023 12.503,1024 5.278,1025 19.017,1026 9.604,1027 3.079,1028 -0.761,1029 17.691,1030 -1.206,1031 10.711,1032 13.774,1034 21.169,1035 10.52,1036 2.866,1037 10.175,1038 19.49,1039 -1.926,1040 11.861,1041 15.332,1042 6.308,1043 23.502,1044 11.646,1045 2.611,1046 8.682,1047 21.297,1048 4.491,1049 12.877,1050 16.711,1052 25.732,1053 12.641,1054 2.392,1055 7.972,1056 23.111,1057 3.836,1058 13.993,1059 18.229,1060 7.357,1061 28.044,1062 13.733,1063 2.044,1064 6.876,1065 24.93,1066 3.311,1067 15.052,1068 19.664,1070 30.313,1071 14.767,1072 1.965,1073 5.803,1074 26.755,1075 3.22,1076 16.156,1077 21.166,1078 8.419,1079 32.62,1080 15.846,1081 1.599,1082 5.757,1083 28.584,1084 2.811,1085 17.237,1086 22.63,1088 34.91,1089 16.9,1090 7380,1091 14112,1092 17.512,1093 26.648,1094 41.018,1095 42.579,1096 42.002,1097 40.505,1098 40.439,1099 55.427,1100 7.6,1101 116.185,1102 39.194,1103 5.41,1104 5.668,1105 5.916,1106 5.12,1107 5.079,1108 7.491,1109 3.455,1110 17.069,1111 4.989,1112 14.58,1113 1.519,1114 1.577,1115 1.556,1116 1.5,1117 1.498,1118 2.053,1119 0.281,1120 4.303,1121 1.452,1122 4.071,1123 4.103,1124 4.04,1125 3.982,1126 7.475,1127 3.991,1128 3.937,1129 3.952,1130 3.893,1131 3.867,1132 7.433,1133 3.869,1134 3.558,1135 3.603,1136 3.502,1137 3.352,1138 6.351,1139 3.382,1140 3.388,1141 3.381,1142 3.355,1143 3.155,1144 5.307,1145 3.203,1146 3.154,1147 3.237,1148 3.069,1149 2.941,1150 4.982,1151 2.953,1152 3.123,1153 3.173,1154 3.017,1155 2.823,1156 4.724,1157 2.864,1158 2.906,1159 2.928,1160 2.805,1161 2.735,1162 4.658,1163 2.715,1164 2.854,1165 2.925,1166 2.687,1167 2.601,1168 4.369,1169 2.663,1170 0.168,1171 0.136,1172 0.241,1173 0.15,1174 0.114,1175 4.541,1176 0.166,1177 3.668,1178 0.064,1179 6.502,1180 0.377,1181 4.048,1182 0.111,1183 3.079,1184 4.491,1185 1.727,1186 10.175,1187 2.989,1188 2.017,1189 1.992,1190 2.083,1191 2.127,1192 1.22,1193 2.113,1194 1.911,1195 1.895,1196 2.003,1197 2.002,1198 1.093,1199 2,1200 1.464,1201 1.419,1202 1.603,1203 1.706,1204 0.7,1205 1.679,1206 1.234,1207 1.236,1208 1.367,1209 1.514,1210 0.338,1211 1.452,1212 1.076,1213 1.021,1214 1.292,1215 1.386,1216 0.248,1217 1.371,1218 1.001,1219 0.928,1220 1.234,1221 1.339,1222 0.218,1223 1.305,1224 0.886,1225 0.821,1226 1.181,1227 1.091,1228 0.093,1229 1.107,1230 0.743,1231 0.731,1232 1.039,1233 1.062,1235 1.045,1236 4.007,1238 5.333,1240 6.849,1242 8.453,1244 10.102,1250 11.371,1251 8.848,1252 0.027,1254 5.234,1262 26.579,1263 67.341,1264 146.828,1265 164.479,1266 184.131,1267 188.131,1268 192.131,1269 50.474,1270 7.11,1271 141.42,1272 141.42,1273 18,1274 12.318,1275 4.322,1276 3.524,1277 42.123,1278 103,1279 92,1280 0.202,1281 165.548,1282 285.64,1283 395.698,1284 11639,1286 17.974,1287 0.719,1288 0.519,1289 17.974,1290 12.97,1291 11.936,1292 0.442,1293 0.269,1294 7.134,1295 11.4,1296 7.011,1297 5.806,1298 11.936,1299 7.259,1300 11.13,1301 0.293,1302 0.139,1303 11.13,1304 5.277,1305 8.961,1306 0.187,1307 0.074,1308 8.961,1309 3.544,1310 7.148,1311 0.121,1312 0.039,1313 7.148,1314 2.289,1315 5.603,1316 0.076,1317 0.021,1318 5.603,1319 1.519,1320 0.324,1321 75.648,1322 0.239,1323 24.648,1324 0.531,1325 130,1326 465.271,1327 146.679,1328 446.656,1329 593.45,1330 412,1331 151,1332 426.082,1333 165.632,1334 431.053,1335 627.63,1336 403,1337 5.959}
{0 CHEMBL7779,1 1.361,2 8.55,3 3.365,4 11.323,5 83.727,6 6.71,7 0.545,8 3.77,9 3.918,10 3.248,11 3.325,12 4.817,13 3.279,14 4.304,15 4.5,16 3.612,17 3.745,18 5.288,19 3.661,20 4.586,21 4.813,22 3.628,23 3.903,24 5.452,25 3.782,26 4.696,27 4.97,28 3.504,29 3.866,30 5.524,31 3.704,32 4.61,33 4.885,34 3.323,35 3.755,36 5.439,37 3.585,38 4.556,39 4.871,40 3.138,41 3.62,42 5.306,43 3.43,44 4.307,45 4.606,46 3.052,47 3.429,48 5.082,49 3.253,50 4.102,51 4.405,52 2.878,53 3.169,54 4.993,55 3.023,56 0.057,57 0.614,58 9.23,59 3.528,60 9.51,61 5.187,62 0.171,63 0.977,64 16.178,65 6.692,66 20.7,67 9.528,68 0.142,69 1.211,70 21.85,71 8.086,72 18.492,73 12.125,74 0.227,75 1.241,76 25.013,77 8.971,78 31.765,79 13.558,80 0.204,81 1.132,82 23.085,83 7.67,84 28.974,85 11.909,86 0.209,87 0.996,88 22.213,89 7.347,90 30.145,91 11.447,92 0.101,93 0.792,94 16.928,95 6.257,96 18.38,97 9.489,98 0.132,99 0.657,100 14.047,101 4.222,102 20.547,103 6.821,104 10,105 31,106 0.244,107 0.592,108 0.764,109 0.851,110 0.878,111 0.878,112 3.058,113 0.965,114 -4.78,115 -4.69,116 -4.41,119 40,120 1,121 4,122 1,139 4,140 3,143 1,144 1,147 1,157 2,158 2,159 2,166 13,169 1,170 3,172 3,173 3,175 1,178 17,180 1,182 3,187 1,189 15,191 1,193 3,195 1,196 1,197 1,198 4,200 2,201 11,204 4,205 1,207 3,212 4,215 10,218 4,221 2,226 2,229 8,231 2,234 4,239 3,241 4,243 3,246 4,251 3,256 3,260 4,265 4,270 4,273 448,274 13.326,275 13.326,276 13.326,277 13.326,278 13.326,279 11.72,280 16.265,281 7.827,282 13.504,283 10.888,284 10.888,285 10.888,286 10.888,287 10.888,288 8.519,289 16.186,290 3.774,291 11.189,292 3.961,293 2.013,294 1.057,295 0.569,296 0.419,297 0.419,298 3.738,300 1,301 1,302 1,303 368,304 2.121,307 154.807,311 80.537,314 1.395,315 13.806,316 1,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 42,327 171,328 4.418,329 3.273,330 6.503,331 4.053,332 3.082,333 4.092,335 10.179,336 2.998,337 4.056,338 2.874,339 5.626,340 3.693,341 2.697,342 3.652,344 7.825,345 2.684,346 3.571,347 2.467,348 5.21,349 3.33,350 2.353,351 2.839,353 6.59,354 2.303,355 3.376,356 2.261,357 5.062,358 3.006,359 2.063,360 2.613,362 5.809,363 1.943,364 3.3,365 2.221,366 4.973,367 2.939,368 1.987,369 2.549,371 5.776,372 1.886,373 3.04,374 1.919,375 4.651,376 2.765,377 1.777,378 2.131,380 4.997,381 1.749,382 2.655,383 1.302,384 3.709,385 2.186,386 1.187,387 1.725,389 2.597,390 1.186,391 2.091,392 1.231,393 3.482,394 1.981,395 1.006,396 1.066,398 2.565,399 0.978,400 1.428,401 0.398,402 3.015,403 1.221,404 0.249,405 0.281,407 0.651,408 0.241,409 1.056,410 -0.04,411 2.684,412 0.732,413 -0.235,414 -0.285,415 -0.613,416 -0.227,417 0.896,418 -0.135,419 2.517,420 0.569,421 -0.421,422 -0.523,423 -1,424 -0.406,425 0.824,426 -0.292,427 2.27,428 0.472,429 -0.462,430 -0.563,431 -1.182,432 -0.44,433 0.486,434 -0.542,435 2,436 0.17,437 -0.81,438 -0.864,439 -2.065,440 -0.771,441 0.265,442 -0.658,443 1.86,444 0.14,445 -0.82,446 -0.978,448 -2.403,449 -0.811,450 0.115,451 -1.075,452 1.558,453 -0.152,454 -1.138,455 -1.432,457 -3.136,458 -1.12,459 9.6,460 0.48,461 0.558,462 0.028,463 25.5,464 1.275,465 13,466 0.65,467 12.5,468 0.625,469 16.177,470 0.809,471 21.6,472 0.54,473 15.176,474 0.759,475 4.628,476 0.231,477 4.987,478 0.249,479 0.135,481 0.365,485 1.132,486 1.151,487 0.933,488 0.982,489 1.267,490 0.944,491 0.351,492 0.962,493 0.829,494 1.05,495 0.33,496 1,497 0.969,498 1.201,499 1.099,500 1.193,501 0.845,502 1.165,503 0.785,504 1.018,505 1.018,506 1.092,507 0.773,508 1.081,509 1.232,510 1.053,511 1.202,512 1.115,513 1.356,514 1.149,515 1.073,516 0.748,517 0.967,518 0.819,519 1.11,520 0.871,521 0.52,522 1.014,523 0.785,524 0.988,525 0.493,526 0.927,527 1.229,528 0.977,529 0.926,530 0.855,531 1.165,532 0.858,533 5,534 0.054,535 1.778,536 1.563,537 1.28,538 0.354,539 0.424,540 0.177,541 0.201,542 0.088,543 3818,544 8510,545 2.077,546 50,547 10,548 4,551 4,552 2,555 1.616,556 1.935,557 3.099,558 1.879,560 1,562 1,564 54.439,565 1.361,566 3.309,567 4.265,568 4.753,569 4.903,570 4.903,571 2.553,572 3.822,573 4.296,574 3.221,575 612.031,576 7.326,577 6183.4,578 1,579 1,580 1,581 1,582 212.877,583 1.441,584 4.248,585 0.227,586 0.013,587 0.057,588 0.052,589 0.051,590 0.018,591 0.025,592 0.011,593 0.015,594 0.009,595 0.479,596 0.33,597 1,598 0.627,599 88.349,600 -0.142,601 0.087,602 0.023,603 0.109,604 -0.184,605 0.087,606 0.434,607 0.147,608 0.115,609 0.03,610 0.369,611 0.038,612 -0.101,613 -0.149,614 -0.146,615 -0.162,616 -0.104,617 -0.159,618 0.088,619 -0.062,620 -0.054,621 -0.104,622 0.075,623 -0.096,624 -0.207,625 -0.076,626 -0.227,627 -0.155,628 -0.272,629 -0.186,630 -0.121,631 0.143,632 0.014,633 0.124,634 -0.129,635 0.09,636 0.152,637 -0.145,638 0.168,639 0.011,640 0.199,641 0.078,642 -0.067,643 -0.044,644 0.076,645 0.059,646 -0.03,647 0.079,648 1.376,649 1.991,650 0.8,651 13.8,652 0.987,653 1.133,654 3.549,655 12.599,656 0.653,657 3.135,658 3.466,659 3.689,660 3.97,661 4.19,662 4.19,663 4.248,664 4.344,665 4.466,666 4.357,667 5.128,668 0.608,669 268.4,670 3.135,671 4.673,672 5.509,673 6.389,674 7.241,675 8.122,676 8.982,677 9.864,678 10.728,679 11.61,680 10,684 2,690 2,695 4,696 2,700 6,702 12,711 2,718 40,719 12,720 1,721 22,723 42,724 16,725 10,726 2,727 4,729 3,730 4,734 1,736 3,737 1,739 4,741 10,742 6,743 1,753 1,754 1,757 20,758 4,759 4,760 4,764 4,769 0.667,776 1,781 3,785 1,802 2,806 1,810 20,811 2,816 4,820 1,836 10.333,837 7.233,838 4.306,839 2.422,840 2.24,841 1.332,842 1.002,843 3.515,844 8.989,845 3.367,846 3.97,847 4.472,848 5.006,849 5.473,850 5.5,851 5.562,852 5.856,853 6.209,854 6.407,855 0.833,856 30,857 7.378,859 3.11,860 7.567,861 14.47,863 12.187,865 2.067,866 41.333,867 0.001,870 188.338,871 73.409,872 99.365,877 73.409,878 188.338,879 99.365,880 8.825,881 10.138,882 103.699,883 33.571,884 12.313,885 4.227,886 188.338,888 188.338,889 172.774,893 188.338,897 23.619,898 115.584,899 33.571,901 188.338,902 99.365,903 73.409,906 188.338,907 26.679,908 46.73,910 99.365,911 188.338,912 99.365,913 73.409,915 0.586,916 0.329,917 0.183,918 0.1,919 16,920 7,921 0.048,922 2,923 1,924 1.125,925 3.252,926 150.34,927 0.125,928 16,929 84.439,933 13.228,934 5.314,935 2.896,937 99.365,938 8.72,939 8.404,943 5.695,945 65.794,946 361.112,947 28,956 39.476,957 45.315,958 0.256,959 0.622,960 0.801,961 0.893,962 0.921,963 0.921,964 4.605,965 1.006,966 5.501,967 2.597,968 4.143,969 4.654,971 6.286,972 4.093,973 5.81,974 0.249,975 7.041,976 2.565,977 3.761,978 4.477,980 7.081,981 3.68,982 7.111,983 -0.235,984 8.673,985 0.651,986 5.714,987 6.808,989 10.166,990 5.62,991 8.44,992 -0.421,993 10.357,994 -0.613,995 6.066,996 7.365,998 11.761,999 5.943,1000 9.796,1001 -0.462,1002 12.075,1003 -1,1004 7.536,1005 9.23,1007 14.377,1008 7.402,1009 11.171,1010 -0.81,1011 13.818,1012 -1.182,1013 8.26,1014 10.16,1016 16.358,1017 8.096,1018 12.563,1019 -0.82,1020 15.58,1021 -2.065,1022 9.52,1023 11.805,1025 18.792,1026 9.341,1027 3.082,1028 -1.138,1029 17.358,1030 -2.403,1031 10.436,1032 12.94,1034 20.958,1035 10.228,1036 2.697,1037 10.179,1038 19.151,1039 -3.136,1040 11.604,1041 14.471,1043 23.32,1044 11.378,1045 2.353,1046 7.825,1047 20.956,1048 4.092,1049 12.62,1050 15.72,1052 25.571,1053 12.363,1054 2.063,1055 6.59,1056 22.771,1057 3.652,1058 13.75,1059 17.19,1061 27.905,1062 13.471,1063 1.987,1064 5.809,1065 24.594,1066 2.839,1067 14.815,1068 18.503,1070 30.193,1071 14.505,1072 1.777,1073 5.776,1074 26.426,1075 2.613,1076 15.933,1077 19.94,1079 32.518,1080 15.596,1081 1.187,1082 4.997,1083 28.264,1084 2.549,1085 17.023,1086 21.29,1088 34.822,1089 16.656,1090 3719,1091 5644,1092 14.622,1093 26.114,1094 32.959,1095 33.01,1096 33.734,1097 32.838,1098 32.802,1099 41.895,1101 93.977,1102 31.938,1103 5.363,1104 5.273,1105 6.059,1106 5.124,1107 5.082,1108 7.092,1110 17.073,1111 4.998,1112 9.442,1113 1.498,1114 1.5,1115 1.533,1116 1.493,1117 1.491,1118 1.904,1120 4.272,1121 1.452,1122 4.024,1123 4.066,1124 3.959,1125 3.94,1126 5.282,1127 3.936,1128 3.893,1129 3.93,1130 3.835,1131 3.806,1132 4.978,1133 3.809,1134 3.546,1135 3.617,1136 3.436,1137 3.374,1138 4.74,1139 3.384,1140 3.226,1141 3.308,1142 3.055,1143 3.074,1144 4.457,1145 3.059,1146 3.152,1147 3.253,1148 3.004,1149 2.966,1150 4.045,1151 2.952,1152 3.06,1153 3.155,1154 2.878,1155 2.854,1156 3.882,1157 2.859,1158 2.858,1159 2.971,1160 2.64,1161 2.627,1162 3.758,1163 2.624,1164 2.757,1165 2.858,1166 2.581,1167 2.486,1168 3.605,1169 2.5,1170 0.201,1171 0.149,1172 0.296,1173 0.184,1174 0.14,1175 4.418,1176 0.186,1177 3.273,1179 6.503,1180 0.463,1181 4.053,1182 0.136,1183 3.082,1184 4.092,1186 10.179,1187 2.998,1188 1.988,1189 1.955,1190 2.125,1191 2.101,1192 1.47,1193 2.107,1194 1.88,1195 1.846,1196 2.007,1197 1.988,1198 1.16,1199 1.996,1200 1.502,1201 1.44,1202 1.668,1203 1.72,1204 0.837,1205 1.716,1206 1.246,1207 1.17,1208 1.554,1209 1.455,1210 0.747,1211 1.496,1212 1.148,1213 1.068,1214 1.471,1215 1.405,1216 0.582,1217 1.418,1218 1.029,1219 0.944,1220 1.315,1221 1.315,1222 0.381,1223 1.339,1224 0.839,1225 0.734,1226 1.206,1227 1.152,1228 0.096,1229 1.189,1230 0.725,1231 0.616,1232 1.069,1233 1.015,1234 0.051,1235 1.04,1236 3.807,1238 5.13,1240 6.648,1242 8.26,1244 9.92,1246 2.133,1250 11.646,1252 4.125,1256 0.61,1262 24.3,1263 54.439,1264 132.348,1265 170.612,1266 190.122,1267 196.122,1268 196.122,1269 26.132,1270 6.749,1271 77.82,1272 77.82,1273 18,1274 12.148,1275 3.7,1276 2.807,1277 30.038,1278 62,1279 52,1280 0.245,1281 151.681,1282 254.64,1283 361.86,1284 6887,1286 14.113,1287 0.706,1288 0.588,1289 14.113,1290 11.764,1291 9.614,1292 0.437,1293 0.322,1294 7.029,1295 9.413,1296 6.806,1297 5.672,1298 9.614,1299 7.079,1300 9.03,1301 0.291,1302 0.184,1303 9.03,1304 5.694,1305 7.079,1306 0.182,1307 0.103,1308 7.079,1309 4.031,1310 6.23,1311 0.12,1312 0.059,1313 6.23,1314 3.077,1315 4.896,1316 0.075,1317 0.034,1318 4.896,1319 2.222,1320 0.378,1321 59.079,1322 0.262,1323 19.839,1324 0.686,1325 106,1326 235.915,1327 112.383,1328 241.825,1329 338.96,1330 226,1331 123,1332 259.324,1333 128.662,1334 268.176,1335 387.55,1336 252,1337 6.959}
{0 CHEMBL78022,1 1.694,2 11.786,3 2.345,4 5.498,5 103.991,6 8.009,7 0.567,8 3.995,9 4.097,10 3.604,11 3.43,12 5.245,13 3.466,14 4.48,15 4.626,16 3.942,17 3.763,18 5.729,19 3.793,20 4.57,21 4.687,22 4.08,23 3.91,24 5.847,25 3.935,26 4.749,27 4.897,28 4.047,29 3.931,30 6.006,31 3.934,32 4.812,33 4.988,34 3.922,35 3.892,36 6.047,37 3.861,38 4.746,39 4.96,40 3.711,41 3.793,42 5.93,43 3.713,44 4.661,45 4.906,46 3.518,47 3.624,48 5.713,49 3.556,50 4.351,51 4.542,52 3.543,53 3.501,54 5.638,55 3.47,56 0.165,57 0.688,58 8.929,59 4.022,60 15.376,61 4.728,62 0.638,63 0.993,64 18.212,65 6.587,66 49.081,67 7.705,68 0.515,69 1.159,70 17.239,71 6.977,72 30.572,73 8.393,74 0.689,75 1.241,76 23.162,77 8.436,78 60.869,79 10.165,80 1.09,81 1.226,82 27.227,83 8.542,84 79.467,85 10.788,86 0.892,87 1.121,88 26.433,89 8.543,90 75.451,91 11.546,92 0.817,93 0.934,94 27.455,95 7.991,96 82.615,97 10.697,98 0.57,99 0.79,100 17.25,101 5.766,102 67.062,103 7.498,104 46,105 42,106 0.287,107 0.627,108 0.722,109 0.78,110 0.79,111 0.819,112 3.374,113 0.825,114 -3.19,115 -3.19,116 -3.06,119 39.6,124 3,125 1,139 5,140 3,141 3,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 6,169 2,170 8,172 3,173 3,175 1,178 5,180 1,181 2,182 13,187 1,189 2,191 1,192 1,193 9,195 1,196 1,197 1,198 4,200 2,201 1,204 4,205 1,206 4,207 3,212 3,215 4,218 3,220 4,221 2,223 1,224 1,226 1,229 6,231 1,234 2,241 4,245 2,246 7,248 2,249 2,251 1,256 1,260 10,265 2,270 2,273 1154,274 18.85,275 18.85,276 18.85,277 18.85,278 18.85,279 16.698,280 22.972,281 10.826,282 19.635,283 14.58,284 14.58,285 14.58,286 14.58,287 14.58,288 11.036,289 25.731,290 4.844,291 15.534,292 3.891,293 1.891,294 1.326,295 0.985,296 0.928,297 0.756,298 4.053,300 1,301 1,302 1,303 693,304 3.536,307 258.88,311 136.468,314 1.673,315 36.348,318 1,319 0.83,320 1,321 0.6,323 1,324 1,325 0.78,326 63,327 330,328 4.541,329 3.679,330 6.547,331 4.055,332 3.096,333 4.491,334 1.727,335 10.344,336 2.99,337 4.454,338 3.329,339 6.502,340 4.042,341 3.076,342 4.141,343 0.86,344 10.175,345 2.954,346 3.932,347 3.128,348 5.957,349 3.584,350 2.621,351 3.295,352 0.86,353 8.305,354 2.5,355 3.756,356 2.668,357 5.311,358 3.353,359 2.385,360 3.209,361 0.86,362 6.875,363 2.307,364 3.429,365 2.555,366 5.19,367 2.975,368 2.061,369 2.811,370 0.636,371 6.118,372 1.898,373 3.373,374 2.196,375 5.062,376 2.972,377 2.043,378 2.697,380 5.803,381 1.867,382 3.355,383 2.098,384 4.971,385 2.91,386 1.962,387 2.604,389 5.757,390 1.855,391 2.868,392 2.05,393 4.307,394 2.41,395 1.471,396 1.925,398 3.942,399 1.362,400 2.454,401 1.781,402 3.712,403 1.983,404 1.084,405 1.433,407 2.565,408 0.98,409 2.151,410 1.445,411 3.675,412 1.912,413 1.006,414 1.132,415 2.231,416 0.892,417 1.85,418 1.057,419 3.102,420 1.495,421 0.549,422 0.666,423 1.241,424 0.509,425 1.576,426 0.99,427 2.859,428 1.27,429 0.396,430 0.452,431 0.603,432 0.342,433 1.401,434 0.916,435 2.712,436 1.145,437 0.298,438 0.323,439 0.384,440 0.251,441 1.335,442 0.36,443 2.55,444 0.902,445 -0.033,446 -0.043,448 -0.08,449 -0.031,450 0.97,451 0.133,452 2.49,453 0.483,454 -0.441,455 -0.551,457 -0.834,458 -0.403,459 12.767,460 0.456,461 0.712,462 0.025,463 38.75,464 1.384,465 20,466 0.714,467 18.75,468 0.67,469 20.175,470 0.721,471 31.033,472 0.647,473 31.812,474 1.136,475 8.217,476 0.293,477 5.244,478 0.187,479 0.206,481 0.392,485 0.942,486 1.321,487 0.748,488 1.171,489 0.891,490 0.938,491 1.176,492 0.716,493 0.758,494 0.69,495 0.708,496 0.641,497 0.927,498 1.303,499 0.869,500 1.195,501 0.819,502 1.036,503 1.201,504 1.227,505 1.072,506 1.267,507 1.286,508 1.167,509 1.196,510 1.038,511 1.211,512 1.078,513 1.066,514 1.139,515 0.876,516 0.93,517 1.125,518 1.124,519 1.14,520 1.181,521 1.309,522 0.689,523 0.965,524 0.711,525 1.646,526 0.761,527 0.989,528 0.865,529 0.948,530 0.924,531 1.174,532 0.941,533 6.5,534 0.227,535 3.556,536 2.188,537 2.382,538 1.104,539 0.364,540 0.377,541 0.3,542 0.184,543 9602,544 31091,545 1.993,546 41.7,548 16,551 4,555 1.708,556 1.826,557 3.493,558 1.733,559 1,560 1,564 81.319,565 1.694,566 3.694,567 4.259,568 4.6,569 4.657,570 4.829,571 2.896,572 4.307,573 4.783,574 3.662,575 1384.4,576 8.3,577 18617.1,579 1,581 1,582 268.078,583 1.531,584 4.714,585 0.217,586 0.009,587 0.085,588 0.047,589 0.055,590 0.031,591 0.013,592 0.015,593 0.012,594 0.007,595 0.49,596 0.17,597 1,598 0.993,599 141.678,600 -0.125,601 -0.109,602 0.031,603 -0.088,604 -0.182,605 0.008,606 -0.051,607 0.333,608 0.17,609 0.334,610 0.086,611 0.305,612 0.01,613 -0.152,614 -0.036,615 -0.145,616 -0.014,617 -0.1,618 -0.109,619 -0.198,620 -0.148,621 -0.252,622 -0.119,623 -0.221,624 -0.015,625 -0.078,626 -0.22,627 -0.103,628 -0.018,629 -0.193,630 0.099,632 -0.124,633 -0.141,634 0.008,635 -0.181,636 -0.181,637 0.102,638 0.132,639 0.269,640 -0.198,641 0.276,642 0.039,643 0.097,644 0.031,645 0.079,646 0.146,647 0.047,648 2.208,649 5.489,650 0.571,651 25.071,652 1.023,653 1.133,654 1.964,655 3.856,656 0.654,657 3.434,658 3.761,659 4.043,660 4.29,661 4.511,662 4.522,663 4.533,664 4.511,665 4.575,666 4.575,667 6.898,668 0.643,669 384.43,670 3.434,671 4.977,672 5.832,673 6.715,674 7.587,675 8.472,676 9.349,677 10.233,678 11.111,679 11.996,680 8.3,684 2,690 2,694 2,695 5,696 2,700 7,702 17,710 1,711 2,716 3,718 48,719 18,720 2,721 30,723 50,724 19,725 14,726 7,727 5,728 1,729 3,730 4,741 15,742 4,744 1,748 1,751 1,753 1,754 1,757 20,758 9,759 4,760 9,764 4,769 0.667,770 5,776 1,781 3,785 1,802 2,806 3,810 28,811 2,816 1,818 4,829 10.4,832 1,834 4,836 15.333,837 9.567,838 6.389,839 2.374,840 3.311,841 1.451,842 0.958,843 6.064,844 10.656,845 3.701,846 4.344,847 4.968,848 5.557,849 6.137,850 6.391,851 6.663,852 6.866,853 7.192,854 7.172,855 0.875,856 47,857 10.278,859 4.274,860 7.97,861 18.89,863 14.597,865 2.47,866 69.167,869 1,870 188.338,871 122.86,872 99.365,874 69.144,877 122.86,878 257.482,879 99.365,880 32.649,881 4.592,882 113.176,883 65.907,884 70.818,885 4.227,886 188.338,888 188.338,889 222.225,890 69.144,893 188.338,894 69.144,897 8.636,898 180.018,899 33.571,901 188.338,902 168.51,903 122.86,906 188.338,907 42.829,908 80.03,910 168.51,911 188.338,912 168.51,913 122.86,915 0.577,916 0.358,917 0.198,918 0.109,919 19,920 10,921 0.14,922 7,923 1,924 1.125,925 3.857,926 236.205,927 0.125,928 16,929 126.606,933 19.981,934 8.498,935 4.235,936 1.25,937 168.51,938 8.326,939 8.051,943 2.487,945 65.794,946 479.707,947 39.5,951 12.489,954 -0.541,956 49.113,957 54.362,958 0.303,959 0.661,960 0.763,961 0.824,962 0.834,963 0.865,964 4.936,965 1.471,966 5.832,967 5.757,968 4.443,969 5.03,970 2.503,971 6.661,972 4.333,973 6.168,974 1.084,975 7.409,976 3.942,977 4.111,978 4.997,980 7.6,981 3.985,982 7.498,983 1.006,984 9.082,985 2.565,986 6.061,987 7.318,988 3.11,989 10.679,990 5.875,991 8.865,992 0.549,993 10.808,994 2.231,995 6.509,996 8.063,998 12.398,999 6.299,1000 10.259,1001 0.396,1002 12.568,1003 1.241,1004 7.949,1005 9.895,1006 4.038,1007 15.006,1008 7.697,1009 11.674,1010 0.298,1011 14.351,1012 0.603,1013 8.755,1014 11.01,1016 17.062,1017 8.472,1018 13.104,1019 -0.033,1020 16.15,1021 0.384,1022 9.997,1023 12.644,1024 5.084,1025 19.499,1026 9.68,1027 3.096,1028 -0.441,1029 17.963,1030 -0.08,1031 10.973,1032 13.945,1034 21.705,1035 10.619,1036 3.076,1037 10.344,1038 19.786,1039 -0.834,1040 12.136,1041 15.493,1042 6.164,1043 24.075,1044 11.75,1045 2.621,1046 10.175,1047 21.617,1048 4.491,1049 13.191,1050 16.888,1052 26.348,1053 12.766,1054 2.385,1055 8.305,1056 23.455,1057 4.141,1058 14.325,1059 18.398,1060 7.254,1061 28.691,1062 13.868,1063 2.061,1064 6.875,1065 25.298,1066 3.295,1067 15.416,1068 19.839,1070 30.993,1071 14.92,1072 2.043,1073 6.118,1074 27.147,1075 3.209,1076 16.541,1077 21.334,1078 8.346,1079 33.327,1080 16.011,1081 1.962,1082 5.803,1083 28.999,1084 2.811,1085 17.649,1086 22.798,1088 35.642,1089 17.081,1090 9468,1091 17165,1092 19.304,1093 31.387,1094 44.079,1095 46.463,1096 47.189,1097 43.944,1098 44.096,1099 58.359,1100 9.887,1101 128.686,1102 41.415,1103 5.414,1104 5.679,1105 6.089,1106 5.127,1107 5.096,1108 7.491,1109 3.455,1110 17.265,1111 4.99,1112 17.058,1113 1.469,1114 1.549,1115 1.573,1116 1.465,1117 1.47,1118 1.945,1119 0.33,1120 4.29,1121 1.38,1122 4.072,1123 4.104,1124 4.041,1125 3.982,1126 7.433,1127 3.991,1128 3.944,1129 3.946,1130 3.915,1131 3.844,1132 5.308,1133 3.859,1134 3.557,1135 3.603,1136 3.497,1137 3.349,1138 4.982,1139 3.379,1140 3.369,1141 3.389,1142 3.313,1143 3.111,1144 4.965,1145 3.157,1146 3.303,1147 3.355,1148 3.144,1149 3.006,1150 4.71,1151 3.026,1152 3.214,1153 3.288,1154 3.028,1155 2.94,1156 4.58,1157 2.948,1158 3.138,1159 3.237,1160 2.998,1161 2.898,1162 4.465,1163 2.901,1164 3.109,1165 3.191,1166 2.928,1167 2.831,1168 4.398,1169 2.849,1170 0.151,1171 0.123,1172 0.218,1173 0.135,1174 0.103,1175 4.541,1176 0.15,1177 3.679,1178 0.058,1179 6.547,1180 0.345,1181 4.055,1182 0.1,1183 3.096,1184 4.491,1185 1.727,1186 10.344,1187 2.99,1188 2.016,1189 1.991,1190 2.083,1191 2.127,1192 1.22,1193 2.113,1194 1.879,1195 1.875,1196 1.946,1197 2.004,1198 1.073,1199 1.982,1200 1.463,1201 1.417,1202 1.608,1203 1.709,1204 0.699,1205 1.681,1206 1.251,1207 1.22,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.227,1213 1.163,1214 1.571,1215 1.546,1216 0.575,1217 1.543,1218 1.164,1219 1.08,1220 1.544,1221 1.498,1222 0.563,1223 1.511,1224 1.092,1225 1.024,1226 1.349,1227 1.386,1228 0.336,1229 1.371,1230 1.023,1231 0.94,1232 1.288,1233 1.354,1234 0.103,1235 1.359,1236 4.111,1238 5.434,1240 6.963,1242 8.591,1244 10.27,1246 4.433,1250 11.478,1252 0.037,1254 21.155,1262 30.874,1263 81.319,1264 177.295,1265 204.429,1266 220.794,1267 223.549,1268 231.814,1269 54.392,1270 7.345,1271 131.81,1272 131.81,1273 18,1274 12.529,1275 4.248,1276 3.392,1277 49.905,1278 119,1279 106,1280 0.208,1281 191.657,1282 331.67,1283 459.402,1284 15334,1286 20.259,1287 0.724,1288 0.56,1289 20.259,1290 15.684,1291 13.46,1292 0.449,1293 0.275,1294 8.03,1295 12.612,1296 7.767,1297 6.51,1298 13.46,1299 8.252,1300 11.852,1301 0.282,1302 0.138,1303 11.852,1304 5.809,1305 10.144,1306 0.181,1307 0.073,1308 10.144,1309 4.077,1310 8.446,1311 0.117,1312 0.038,1313 8.446,1314 2.739,1315 6.83,1316 0.076,1317 0.02,1318 6.83,1319 1.833,1320 0.331,1321 86.987,1322 0.228,1323 26.84,1324 0.557,1325 144,1326 528.592,1327 164.886,1328 491.371,1329 661.97,1330 460,1331 170,1332 477.051,1333 190.833,1334 483.492,1335 704.57,1336 447,1337 7.585}
{0 CHEMBL78578,1 1.43,2 9.238,3 2.701,4 7.294,5 87.502,6 7.352,7 0.739,8 3.739,9 3.883,10 3.295,11 3.278,12 4.896,13 3.26,14 4.205,15 4.392,16 3.637,17 3.647,18 5.324,19 3.606,20 4.412,21 4.612,22 3.668,23 3.783,24 5.446,25 3.713,26 4.521,27 4.765,28 3.55,29 3.763,30 5.517,31 3.649,32 4.501,33 4.763,34 3.372,35 3.697,36 5.432,37 3.555,38 4.425,39 4.716,40 3.185,41 3.562,42 5.288,43 3.396,44 4.182,45 4.463,46 3.126,47 3.374,48 5.041,49 3.242,50 3.979,51 4.226,52 3.004,53 3.188,54 5.051,55 3.091,56 0.046,57 0.608,58 7.874,59 2.934,60 9.87,61 4.158,62 0.182,63 0.926,64 13.535,65 5.047,66 19.218,67 7.153,68 0.114,69 1.092,70 16.914,71 6.043,72 16.864,73 8.808,74 0.187,75 1.125,76 20.147,77 7.177,78 28.837,79 10.584,80 0.163,81 1.057,82 20.248,83 7.062,84 29.735,85 10.532,86 0.247,87 0.931,88 19.621,89 6.871,90 30.452,91 10.216,92 0.093,93 0.743,94 15.064,95 5.498,96 15.347,97 8.228,98 0.151,99 0.658,100 11.79,101 3.533,102 22.53,103 5.367,104 10,105 32,106 0.255,107 0.601,108 0.723,109 0.836,110 0.849,111 0.849,112 3.103,113 0.875,114 -4.49,115 -4.42,116 -4.16,119 42.1,124 1,125 1,139 8,140 2,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 6,172 3,173 3,175 1,178 8,180 1,182 7,187 1,189 4,191 1,193 6,195 1,196 1,197 1,198 4,200 2,201 2,204 4,205 1,207 1,212 3,215 6,218 3,220 2,223 1,224 1,226 1,229 9,231 1,241 6,246 4,248 1,249 1,251 2,254 2,256 2,260 4,265 2,270 2,273 528,274 14.085,275 14.085,276 14.085,277 14.085,278 14.085,279 12.022,280 16.551,281 8.346,282 14.365,283 11.366,284 11.366,285 11.366,286 11.366,287 11.366,288 8.328,289 23.229,290 3.998,291 11.83,292 3.818,293 1.884,294 1.198,295 0.566,296 0.494,297 0.494,298 3.783,300 1,301 1,302 1,303 417,304 2.646,307 171.43,311 88.74,314 1.392,315 12.5,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 44.5,327 194,328 4.542,329 3.177,330 6.503,331 4.053,332 3.083,333 4.491,334 0.916,335 10.18,336 2.994,337 4.066,338 3.039,339 6.047,340 3.754,341 2.807,342 3.549,343 0.172,344 8.672,345 2.661,346 3.749,347 2.523,348 5.299,349 3.329,350 2.359,351 3.225,353 6.82,354 2.29,355 3.43,356 2.179,357 5.062,358 2.979,359 2.044,360 2.811,362 5.805,363 1.902,364 3.384,365 2.046,366 4.973,367 2.919,368 1.968,369 2.71,371 5.763,372 1.867,373 3.067,374 1.795,375 4.19,376 2.666,377 1.693,378 2.261,380 3.915,381 1.643,382 2.5,383 1.144,384 3.709,385 2.016,386 1.044,387 1.5,389 2.565,390 1.013,391 2.458,392 1.057,393 3.452,394 2,395 1,396 1.44,398 2.485,399 1,400 2.357,401 1,402 3.247,403 1.972,404 1,405 1.32,407 2.136,408 0.969,409 1.492,410 0.386,411 2.85,412 1.119,413 0.166,414 0.21,415 0.416,416 0.158,417 0.987,418 -0.191,419 2.641,420 0.545,421 -0.388,422 -0.482,423 -1.042,424 -0.36,425 0.803,426 -0.307,427 2.493,428 0.444,429 -0.492,430 -0.605,431 -1.259,432 -0.458,433 0.626,434 -0.61,435 2.212,436 0.218,437 -0.754,438 -0.964,439 -1.62,440 -0.729,441 0.506,442 -0.72,443 1.774,444 0.147,445 -0.815,446 -1.09,448 -2.213,449 -0.785,450 0.5,451 -0.848,452 1.555,454 -1,455 -1.272,457 -2.347,458 -0.949,459 10,460 0.476,461 0.541,462 0.026,463 31.25,464 1.488,465 17.5,466 0.833,467 13.75,468 0.655,469 12.755,470 0.607,471 21.8,472 0.574,473 20.865,474 0.994,475 6.316,476 0.301,477 3.815,478 0.182,479 0.13,481 0.34,485 1.164,486 1.243,487 0.844,488 0.945,489 1.331,490 0.869,491 0.758,492 0.893,493 0.803,494 0.871,495 0.432,496 0.848,497 1.12,498 1.253,499 1.06,500 1.146,501 0.861,502 1.104,503 0.849,504 1.086,505 1.039,506 1.14,507 0.706,508 1.118,509 0.983,510 1.055,511 1.113,512 1.13,513 1.089,514 1.137,515 0.723,516 0.683,517 0.988,518 0.918,519 0.983,520 0.975,521 0.575,522 0.972,523 0.748,524 0.942,525 0.499,526 0.88,527 1.436,528 1.024,529 1.222,530 1.028,531 1.534,532 1.085,533 4.5,534 0.062,535 2.222,536 1.5,537 1.369,538 0.444,539 0.344,540 0.264,541 0.168,542 0.086,543 4423,544 11215,545 2.074,546 44.7,548 13,551 4,555 1.629,556 1.938,557 3.191,558 1.874,560 1,562 1,564 54.325,565 1.43,566 3.363,567 4.05,568 4.682,569 4.754,570 4.754,571 2.684,572 4.011,573 4.366,574 3.301,575 693.314,576 7.467,577 7302.61,578 1,579 1,580 1,581 1,582 199.421,583 1.418,584 4.322,585 0.196,586 0.009,587 0.069,588 0.047,589 0.051,590 0.02,591 0.019,592 0.015,593 0.011,594 0.007,595 0.444,596 0.33,597 1,598 0.61,599 94.834,600 -0.159,601 -0.055,602 0.023,603 0.049,604 -0.305,605 0.057,606 0.261,607 0.224,608 0.107,609 0.114,610 0.296,611 0.095,612 -0.158,613 -0.183,614 -0.145,615 -0.162,616 -0.088,617 -0.154,618 0.054,619 -0.112,620 -0.083,621 -0.152,622 0.142,623 -0.138,624 -0.117,625 -0.118,626 -0.144,627 -0.14,628 -0.138,629 -0.144,630 0.131,631 0.203,632 0.013,633 0.075,634 -0.09,635 0.036,636 0.138,637 -0.105,638 0.239,639 0.083,640 0.193,641 0.158,642 -0.208,643 0.009,644 -0.239,645 -0.111,646 -0.251,647 -0.167,648 1.464,649 1.923,650 0.762,651 15.374,652 0.995,653 1.131,654 3.264,655 10.657,656 0.674,657 3.178,658 3.497,659 3.738,660 3.989,661 4.205,662 4.174,663 4.263,664 4.304,665 4.419,666 4.29,667 5.385,668 0.639,669 279.38,670 3.178,671 4.71,672 5.549,673 6.422,674 7.277,675 8.153,676 9.015,677 9.892,678 10.759,679 11.636,680 13.2,684 2,686 1,690 2,694 2,695 8,696 2,700 4,702 17,711 2,714 1,718 38,719 17,720 2,721 23,723 40,724 16,725 14,726 4,727 8,729 3,730 4,741 14,742 2,753 1,754 1,757 17,758 5,759 4,760 5,764 5,769 0.667,776 1,781 3,785 1,802 2,806 1,810 21,811 2,816 1,821 1,836 10.833,837 6.933,838 4.583,839 2.022,840 3.235,841 1.478,842 1.021,843 3.627,844 9.999,845 3.481,846 4.127,847 4.73,848 5.338,849 5.926,850 6.128,851 6.486,852 6.827,853 7.237,854 7.214,855 1,856 32,857 7.683,859 3.191,860 7.667,861 14.69,863 11.807,865 2.167,866 45.5,870 153.024,871 101.198,872 102.49,877 101.198,878 153.024,879 102.49,880 8.396,881 2.106,882 141.604,883 33.571,884 13.784,885 4.227,886 153.024,888 153.024,889 203.688,893 153.024,897 6.149,898 163.968,899 33.571,901 153.024,902 102.49,903 101.198,906 153.024,907 16.992,908 87.331,910 99.365,911 153.024,912 102.49,913 101.198,915 0.583,916 0.336,917 0.184,918 0.1,919 16,920 7,921 0.075,922 3,923 1,924 1.125,925 3.353,926 159.679,927 0.125,928 16,929 88.239,933 13.649,934 5.581,935 2.904,936 1.606,937 102.49,938 16.213,939 8.199,943 2.934,945 65.794,946 356.713,947 31.5,956 37.811,957 42.983,958 0.272,959 0.641,960 0.772,961 0.892,962 0.906,963 0.906,964 4.694,965 1,966 5.533,967 2.565,968 4.174,969 4.812,970 0.918,971 6.323,972 4.097,973 5.915,974 1,975 7.079,976 2.485,977 3.761,978 4.62,979 0.325,980 7.154,981 3.622,982 7.222,983 0.166,984 8.723,985 2.136,986 5.746,987 7.07,988 0.671,989 10.246,990 5.594,991 8.565,992 -0.388,993 10.423,994 0.416,995 6.111,996 7.687,997 0.393,998 11.888,999 5.9,1000 9.937,1001 -0.492,1002 12.159,1003 -1.042,1004 7.59,1005 9.621,1006 0.533,1007 14.495,1008 7.368,1009 11.332,1010 -0.754,1011 13.92,1012 -1.259,1013 8.333,1014 10.66,1015 0.384,1016 16.495,1017 8.06,1018 12.745,1019 -0.815,1020 15.7,1021 -1.62,1022 9.595,1023 12.356,1024 0.438,1025 18.919,1026 9.306,1027 3.083,1028 -1,1029 17.495,1030 -2.213,1031 10.526,1032 13.623,1033 0.351,1034 21.084,1035 10.193,1036 2.807,1037 10.18,1038 19.3,1039 -2.347,1040 11.694,1041 15.208,1042 0.366,1043 23.436,1044 11.341,1045 2.359,1046 8.672,1047 21.115,1048 4.491,1049 12.717,1050 16.594,1051 0.312,1052 25.678,1053 12.327,1054 2.044,1055 6.82,1056 22.937,1057 3.549,1058 13.847,1059 18.129,1060 0.309,1061 28.003,1062 13.433,1063 1.968,1064 5.805,1065 24.766,1066 3.225,1067 14.915,1068 19.574,1069 0.273,1070 30.281,1071 14.468,1072 1.693,1073 5.763,1074 26.6,1075 2.811,1076 16.03,1077 21.088,1078 0.262,1079 32.596,1080 15.558,1081 1.044,1082 3.915,1083 28.438,1084 2.71,1085 17.12,1086 22.561,1087 0.236,1088 34.892,1089 16.618,1090 4293,1091 6945,1092 15.315,1093 25.597,1094 34.698,1095 34.363,1096 35.014,1097 34.395,1098 34.327,1099 47.032,1100 2.178,1101 97.512,1102 32.995,1103 5.365,1104 5.177,1105 6.305,1106 5.125,1107 5.083,1108 7.491,1109 1.605,1110 17.074,1111 4.994,1112 9.581,1113 1.509,1114 1.494,1115 1.522,1116 1.495,1117 1.492,1118 2.045,1119 0.095,1120 4.24,1121 1.435,1122 4.076,1123 4.111,1124 4.042,1125 3.988,1126 5.307,1127 3.996,1128 3.9,1129 3.938,1130 3.833,1131 3.823,1132 4.982,1133 3.82,1134 3.551,1135 3.619,1136 3.473,1137 3.369,1138 4.776,1139 3.388,1140 3.315,1141 3.403,1142 3.179,1143 3.098,1144 4.68,1145 3.107,1146 3.131,1147 3.237,1148 3.021,1149 2.905,1150 4.222,1151 2.919,1152 2.925,1153 3.025,1154 2.745,1155 2.735,1156 4.031,1157 2.715,1158 2.854,1159 2.925,1160 2.687,1161 2.707,1162 3.8,1163 2.708,1164 2.74,1165 2.82,1166 2.538,1167 2.602,1168 3.674,1169 2.576,1170 0.197,1171 0.138,1172 0.283,1173 0.176,1174 0.134,1175 4.542,1176 0.195,1177 3.177,1178 0.04,1179 6.503,1180 0.443,1181 4.053,1182 0.13,1183 3.083,1184 4.491,1185 0.916,1186 10.18,1187 2.994,1188 2.023,1189 1.996,1190 2.096,1191 2.133,1192 1.248,1193 2.122,1194 1.889,1195 1.856,1196 2.008,1197 1.994,1198 1.081,1199 2.001,1200 1.495,1201 1.431,1202 1.693,1203 1.714,1204 0.808,1205 1.713,1206 1.274,1207 1.19,1208 1.521,1209 1.532,1210 0.545,1211 1.542,1212 1.056,1213 0.98,1214 1.31,1215 1.386,1216 0.333,1217 1.371,1218 0.922,1219 0.821,1220 1.273,1221 1.194,1222 0.218,1223 1.234,1224 0.886,1225 0.82,1226 1.181,1227 1.062,1228 0.151,1229 1.107,1230 0.766,1231 0.697,1232 1.056,1233 0.97,1234 0.081,1235 1.005,1236 3.85,1238 5.165,1240 6.681,1242 8.29,1244 9.947,1246 2.058,1250 11.532,1252 0.782,1257 2.176,1262 24.268,1263 54.325,1264 127.812,1265 153.911,1266 177.911,1267 180.666,1268 180.666,1269 24.199,1270 6.764,1271 81.06,1272 81.06,1273 18,1274 12.176,1275 4.17,1276 3.248,1277 32.275,1278 68,1279 62,1280 0.237,1281 152.62,1282 249.46,1283 364.153,1284 7104,1286 14.82,1287 0.706,1288 0.563,1289 14.82,1290 11.822,1291 10.131,1292 0.44,1293 0.292,1294 6.629,1295 9.824,1296 6.427,1297 5.389,1298 10.131,1299 6.711,1300 9.268,1301 0.29,1302 0.157,1303 9.268,1304 5.01,1305 7.527,1306 0.184,1307 0.084,1308 7.527,1309 3.424,1310 6.407,1311 0.121,1312 0.045,1313 6.407,1314 2.364,1315 5.068,1316 0.077,1317 0.024,1318 5.068,1319 1.565,1320 0.368,1321 62.839,1322 0.256,1323 20.813,1324 0.656,1325 110,1326 279.56,1327 118.465,1328 284.574,1329 398.86,1330 266,1331 128,1332 305.789,1333 136.326,1334 316.153,1335 457.22,1336 296,1337 7.161}
{0 CHEMBL78631,1 1.606,2 10.87,3 2.429,4 5.899,5 89.15,6 7.907,7 0.68,8 3.775,9 3.894,10 3.381,11 3.319,12 4.998,13 3.32,14 4.238,15 4.383,16 3.721,17 3.675,18 5.498,19 3.65,20 4.447,21 4.623,22 3.72,23 3.765,24 5.598,25 3.722,26 4.487,27 4.696,28 3.618,29 3.662,30 5.668,31 3.602,32 4.414,33 4.638,34 3.483,35 3.499,36 5.607,37 3.455,38 4.264,39 4.481,40 3.286,41 3.351,42 5.491,43 3.291,44 4.106,45 4.348,46 3.133,47 3.28,48 5.108,49 3.193,50 3.929,51 4.12,52 3.211,53 3.248,54 5.277,55 3.18,56 0.067,57 0.586,58 7.121,59 3.179,60 12.986,61 3.906,62 0.286,63 0.886,64 12.634,65 5.59,66 30.898,67 6.982,68 0.231,69 1.04,70 16.702,71 6.374,72 33.377,73 8.135,74 0.286,75 1.012,76 19.005,77 6.904,78 44.379,79 9.061,80 0.318,81 0.896,82 18.716,83 5.935,84 48.092,85 7.757,86 0.448,87 0.748,88 16.259,89 5.038,90 55.633,91 6.468,92 0.217,93 0.639,94 14.267,95 5.179,96 31.615,97 6.961,98 0.258,99 0.601,100 10.169,101 4.009,102 39.969,103 5.508,104 10,105 34,106 0.284,107 0.617,108 0.728,109 0.837,110 0.862,111 0.862,112 3.187,113 0.855,114 -4.43,115 -4.36,116 -4.11,119 43.6,121 1,125 1,139 8,140 3,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 11,169 2,170 6,172 3,173 3,175 1,178 12,180 1,182 7,187 1,189 7,191 1,193 10,195 1,196 1,197 1,198 4,200 2,201 2,204 4,205 1,207 7,212 3,215 3,218 3,220 2,221 4,223 1,224 1,226 1,229 6,231 1,241 8,245 2,246 2,248 2,249 2,251 1,254 9,256 1,260 2,265 1,268 6,270 1,273 712,274 15.447,275 15.447,276 15.447,277 15.447,278 15.447,279 13.205,280 16.086,281 9.275,282 15.722,283 12.371,284 12.371,285 12.371,286 12.371,287 12.371,288 9.024,289 18.949,290 4.475,291 12.799,292 3.679,293 1.795,294 1.167,295 0.552,296 0.41,297 0.41,298 3.87,300 1,301 1,302 1,303 537,304 3,307 203.809,311 104.866,314 1.626,315 24.237,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50,327 250,328 4.541,329 3.72,330 6.502,331 4.048,332 3.078,333 4.491,334 2.501,335 10.175,336 2.989,337 3.966,338 3.13,339 5.493,340 3.625,341 2.634,342 3.477,343 0.867,344 7.412,345 2.607,346 3.778,347 2.691,348 5.314,349 3.384,350 2.418,351 3.237,352 0.216,353 6.89,354 2.331,355 3.526,356 2.595,357 5.062,358 3.095,359 2.129,360 2.811,362 5.814,363 2.049,364 3.427,365 2.194,366 4.977,367 2.965,368 2.021,369 2.783,371 5.781,372 1.896,373 3.352,374 2.052,375 4.779,376 2.895,377 1.936,378 2.649,380 5.383,381 1.845,382 2.859,383 1.562,384 3.71,385 2.408,386 1.414,387 2,389 3.027,390 1.403,391 2.5,392 1.445,393 3.587,394 2,395 1.008,396 1.5,398 2.565,399 1,400 2.454,401 1.057,402 3.247,403 1.983,404 1,405 1.434,407 2.136,408 0.98,409 1.886,410 1,411 3.18,412 1.587,413 0.668,414 0.769,415 1.575,416 0.605,417 1.343,418 0.622,419 2.744,420 0.959,421 0.02,422 0.025,423 0.051,424 0.019,425 1.175,426 0.279,427 2.594,428 0.79,429 -0.227,430 -0.294,431 -0.537,432 -0.227,433 0.97,434 -0.151,435 2.475,436 0.481,437 -0.445,438 -0.576,439 -1.15,440 -0.41,441 0.626,442 -0.301,443 2.198,444 0.214,445 -0.755,446 -0.932,448 -1.925,449 -0.719,450 0.503,451 -0.574,452 1.811,453 0.144,454 -0.816,455 -1.111,457 -2.25,458 -0.793,459 10.767,460 0.468,461 0.558,462 0.024,463 33.25,464 1.446,465 18.5,466 0.804,467 14.75,468 0.641,469 14.086,470 0.612,471 24.033,472 0.616,473 23.276,474 1.012,475 6.824,476 0.297,477 4.29,478 0.187,479 0.105,481 0.325,485 0.89,486 1.099,487 0.768,488 0.927,489 0.865,490 0.828,491 0.634,492 0.918,493 0.794,494 1.001,495 0.509,496 0.954,497 1.155,498 1.177,499 1.081,500 1.127,501 1.028,502 1.097,503 1.106,504 1.116,505 1.031,506 1.177,507 1.005,508 1.115,509 1.503,510 1.025,511 1.077,512 1.017,513 1.387,514 0.977,515 1.528,516 0.737,517 1.235,518 0.904,519 1.734,520 1.002,521 1.061,522 0.818,523 0.832,524 0.845,525 1.057,526 0.826,527 0.378,528 0.965,529 0.885,530 1.073,531 0.619,532 1.08,533 5,534 0.078,535 2,536 1.375,537 1.489,538 0.382,539 0.363,540 0.283,541 0.094,542 0.184,543 6181,544 17842,545 2.067,546 41,548 10,551 4,552 2,555 1.651,556 1.944,557 3.398,558 1.822,559 1,560 1,562 1,564 62.644,565 1.606,566 3.491,567 4.118,568 4.734,569 4.875,570 4.875,571 2.877,572 4.35,573 4.497,574 3.549,575 897.974,576 7.71,577 10547.6,578 1,579 1,581 1,582 206.131,583 1.371,584 4.458,585 0.2,586 0.005,587 0.059,588 0.042,589 0.053,590 0.016,591 0.019,592 0.016,593 0.005,594 0.011,595 0.426,597 1,598 0.58,599 109.493,600 -0.127,601 0.052,602 0.008,603 0.069,604 -0.181,605 0.074,606 0.275,607 0.144,608 0.057,609 0.007,610 0.169,611 -0.016,612 -0.182,613 -0.152,614 -0.177,615 -0.147,616 -0.158,617 -0.158,618 -0.035,619 -0.17,620 -0.046,621 -0.198,622 0.03,623 -0.142,624 -0.197,625 -0.097,626 -0.033,627 -0.066,628 -0.101,629 -0.021,630 -0.063,631 0.197,632 -0.18,633 0.038,634 -0.203,635 -0.067,636 -0.048,637 0.024,638 0.208,639 0.191,640 -0.029,641 0.231,642 0.453,643 0.037,644 0.032,645 -0.075,646 0.4,647 -0.103,648 1.946,649 4.873,650 0.696,651 19.603,652 1.009,653 1.126,654 3.204,655 10.267,656 0.679,657 3.258,658 3.555,659 3.761,660 4.007,661 4.22,662 4.159,663 4.205,664 4.263,665 4.29,666 4.234,667 6.326,668 0.658,669 308.37,670 3.258,671 4.779,672 5.602,673 6.463,674 7.303,675 8.168,676 9.016,677 9.883,678 10.736,679 11.605,680 10.3,684 2,690 2,694 2,695 8,696 2,700 4,702 17,711 2,718 39,719 18,720 2,721 25,723 41,724 17,725 14,726 4,727 8,729 3,730 4,739 1,741 15,742 2,744 1,748 1,751 1,753 1,754 1,757 16,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,781 3,785 1,793 1,802 2,810 23,811 2,816 2,818 1,829 5.1,832 1,834 1,836 11.833,837 6.817,838 5.056,839 2.089,840 3.179,841 1.462,842 1.003,843 4.397,844 10.063,845 3.57,846 4.19,847 4.747,848 5.349,849 5.93,850 6.106,851 6.424,852 6.751,853 7.048,854 6.881,855 1,856 33,857 8.447,859 3.557,860 7.899,861 15.779,863 12.59,865 2.399,866 55.167,870 141.253,871 105.443,872 99.365,874 36.145,877 105.443,878 177.398,879 99.365,881 7.127,882 141.604,883 65.907,884 22.088,885 4.227,886 141.253,888 141.253,889 204.809,890 36.145,893 141.253,894 36.145,897 11.17,898 160.068,899 33.571,901 141.253,902 135.51,903 105.443,906 141.253,907 29.634,908 75.81,910 135.51,911 141.253,912 135.51,913 105.443,915 0.577,916 0.323,917 0.176,918 0.099,919 16,920 7,921 0.122,922 5,923 1,924 1.125,925 3.623,926 174.496,927 0.125,928 16,929 96.042,933 15.254,934 6.63,935 3.762,936 1.352,937 135.51,938 14.872,939 8.038,943 2.185,945 65.794,946 382.207,947 34.5,951 11.873,954 -0.28,956 39.363,957 43.903,958 0.304,959 0.66,960 0.779,961 0.896,962 0.922,963 0.922,964 4.773,965 1.008,966 5.572,967 3.027,968 4.234,969 4.875,970 2.575,971 6.326,972 4.17,973 5.985,974 1,975 7.093,976 2.565,977 3.761,978 4.677,979 2.243,980 7.081,981 3.674,982 7.285,983 0.668,984 8.708,985 2.136,986 5.771,987 7.107,988 3.98,989 10.162,990 5.65,991 8.618,992 0.02,993 10.379,994 1.575,995 6.066,996 7.709,997 4.356,998 11.748,999 5.922,1000 9.98,1001 -0.227,1002 12.087,1003 0.051,1004 7.565,1005 9.633,1006 5.644,1007 14.354,1008 7.394,1009 11.363,1010 -0.445,1011 13.822,1012 -0.537,1013 8.249,1014 10.659,1015 6.312,1016 16.335,1017 8.053,1018 12.765,1019 -0.755,1020 15.579,1021 -1.15,1022 9.521,1023 12.353,1024 7.403,1025 18.765,1026 9.302,1027 3.078,1028 -0.816,1029 17.353,1030 -1.925,1031 10.414,1032 13.614,1033 8.2,1034 20.934,1035 10.167,1036 2.634,1037 10.175,1038 19.142,1039 -2.25,1040 11.587,1041 15.2,1042 9.202,1043 23.295,1044 11.314,1045 2.418,1046 7.412,1047 20.944,1048 4.491,1049 12.589,1050 16.583,1051 10.059,1052 25.549,1053 12.286,1054 2.129,1055 6.89,1056 22.757,1057 3.477,1058 13.72,1059 18.12,1060 11.018,1061 27.884,1062 13.391,1063 2.021,1064 5.814,1065 24.579,1066 3.237,1067 14.778,1068 19.564,1069 11.905,1070 30.175,1071 14.419,1072 1.936,1073 5.781,1074 26.41,1075 2.811,1076 15.896,1077 21.079,1078 12.843,1079 32.5,1080 15.508,1081 1.414,1082 5.383,1083 28.247,1084 2.783,1085 16.983,1086 22.554,1087 13.745,1088 34.807,1089 16.563,1090 5956,1091 10237,1092 16.701,1093 26.5,1094 36.975,1095 38.012,1096 37.352,1097 36.622,1098 36.653,1099 50.352,1100 7.167,1101 101.618,1102 35.447,1103 5.434,1104 5.72,1105 6.304,1106 5.12,1107 5.078,1108 7.491,1109 4.283,1110 17.069,1111 4.989,1112 10.408,1113 1.479,1114 1.52,1115 1.494,1116 1.465,1117 1.466,1118 2.014,1119 0.287,1120 4.065,1121 1.418,1122 4.07,1123 4.103,1124 4.038,1125 3.981,1126 7.432,1127 3.99,1128 3.917,1129 3.946,1130 3.846,1131 3.855,1132 5.307,1133 3.848,1134 3.578,1135 3.617,1136 3.515,1137 3.366,1138 4.982,1139 3.396,1140 3.411,1141 3.444,1142 3.341,1143 3.216,1144 4.752,1145 3.237,1146 3.134,1147 3.237,1148 3.026,1149 2.938,1150 4.706,1151 2.944,1152 3.056,1153 3.133,1154 2.909,1155 2.811,1156 4.39,1157 2.833,1158 2.854,1159 2.925,1160 2.687,1161 2.735,1162 4.07,1163 2.715,1164 2.774,1165 2.822,1166 2.668,1167 2.571,1168 3.795,1169 2.592,1170 0.182,1171 0.149,1172 0.26,1173 0.162,1174 0.123,1175 4.541,1176 0.18,1177 3.72,1178 0.1,1179 6.502,1180 0.407,1181 4.048,1182 0.12,1183 3.078,1184 4.491,1185 2.501,1186 10.175,1187 2.989,1188 2.016,1189 1.991,1190 2.084,1191 2.127,1192 1.221,1193 2.113,1194 1.914,1195 1.886,1196 2.041,1197 2,1198 1.157,1199 2.014,1200 1.48,1201 1.441,1202 1.628,1203 1.726,1204 0.73,1205 1.698,1206 1.335,1207 1.295,1208 1.526,1209 1.563,1210 0.657,1211 1.548,1212 1.078,1213 1.013,1214 1.33,1215 1.386,1216 0.334,1217 1.371,1218 0.997,1219 0.91,1220 1.284,1221 1.282,1222 0.218,1223 1.302,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1228 0.096,1229 1.107,1230 0.709,1231 0.665,1232 1.039,1233 0.974,1234 0.011,1235 1.003,1236 3.932,1238 5.231,1240 6.723,1242 8.307,1244 9.942,1250 11.408,1252 0.418,1254 5.299,1262 25.676,1263 62.644,1264 136.131,1265 160.621,1266 184.621,1267 190.131,1268 190.131,1269 35.728,1270 6.884,1271 104.12,1272 104.12,1273 18,1274 12.152,1275 4.248,1276 3.392,1277 37.124,1278 88,1279 80,1280 0.206,1281 160.483,1282 270.7,1283 383.339,1284 8888,1286 16.234,1287 0.706,1288 0.539,1289 16.234,1290 12.399,1291 11.114,1292 0.445,1293 0.285,1294 7.031,1295 10.713,1296 6.882,1297 5.717,1298 11.114,1299 7.128,1300 10.079,1301 0.296,1302 0.151,1303 10.079,1304 5.142,1305 7.895,1306 0.188,1307 0.081,1308 7.895,1309 3.398,1310 6.663,1311 0.123,1312 0.042,1313 6.663,1314 2.285,1315 5.355,1316 0.08,1317 0.023,1318 5.355,1319 1.522,1320 0.329,1321 69.565,1322 0.245,1323 22.986,1324 0.544,1325 118,1326 365.386,1327 130.251,1328 356.377,1329 483.26,1330 332,1331 135,1332 353.415,1333 145.645,1334 359.271,1335 519.89,1336 337,1337 5.638}
{0 CHEMBL78648,1 1.457,2 13,3 4.714,4 22.217,5 107.323,6 6.402,7 0.444,8 4.08,9 4.223,10 3.494,11 3.539,12 5.118,13 3.498,14 4.62,15 4.828,16 3.763,17 3.889,18 5.579,19 3.806,20 4.843,21 5.088,22 3.808,23 4.01,24 5.705,25 3.903,26 4.896,27 5.151,28 3.729,29 4.02,30 5.774,31 3.887,32 4.905,33 5.174,34 3.698,35 4.008,36 5.727,37 3.859,38 4.867,39 5.141,40 3.731,41 3.934,42 5.739,43 3.806,44 4.791,45 5.043,46 3.653,47 3.851,48 5.714,49 3.734,50 4.723,51 4.99,52 3.444,53 3.78,54 5.594,55 3.634,56 0.064,57 0.784,58 13.561,59 5.064,60 12.134,61 7.394,62 0.282,63 1.158,64 23.682,65 8.611,66 30.519,67 12.262,68 0.262,69 1.342,70 29.492,71 9.82,72 29.869,73 14.853,74 0.371,75 1.37,76 31.271,77 10.381,78 43.267,79 15.533,80 0.375,81 1.35,82 31.28,83 10.555,84 37.878,85 16.024,86 0.414,87 1.27,88 30.381,89 9.71,90 42.121,91 14.916,92 0.479,93 1.171,94 28.599,95 8.699,96 44.972,97 13.256,98 0.366,99 1.109,100 26.463,101 7.924,102 39.394,103 12.434,104 28,105 34,106 0.244,107 0.54,108 0.735,109 0.824,110 0.871,111 0.883,112 3.303,113 1.034,114 -5.61,115 -5.48,116 -5.11,119 35.7,120 1,121 7,124 1,125 1,139 3,140 2,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 10,169 1,170 7,172 3,173 3,175 1,178 9,180 1,182 8,187 1,189 8,191 1,193 5,195 1,196 1,197 1,198 2,200 2,201 7,204 2,205 1,206 1,207 4,212 2,215 7,218 2,220 2,221 3,223 1,224 1,226 2,229 6,231 2,233 2,234 4,236 1,237 1,239 2,241 6,243 2,246 2,248 1,249 1,251 1,254 6,256 1,260 3,262 1,263 1,265 2,268 6,270 2,273 1220,274 17.706,275 17.706,276 17.706,277 17.706,278 17.706,279 16.154,280 19.989,281 11.076,282 18.196,283 13.258,284 13.258,285 13.258,286 13.258,287 13.258,288 10.905,289 26.407,290 5.21,291 13.952,292 4.351,293 2.578,294 1.416,295 0.884,296 0.598,297 0.527,298 3.972,301 1,302 1,303 688,304 3.606,307 189.601,314 2,315 20.245,317 1,318 0.75,319 0.83,320 0.83,321 1,322 1,323 0.83,324 0.5,325 0.82,326 56,327 338,328 4.331,329 3.264,330 6.251,331 3.951,332 2.98,333 3.975,334 0.86,335 9.444,336 2.894,337 4.161,338 2.951,339 5.984,340 3.715,341 2.765,342 3.813,343 0.86,344 8.479,345 2.627,346 3.571,347 2.732,348 5.253,349 3.202,350 2.283,351 2.883,352 0.68,353 6.647,354 2.091,355 3.44,356 2.324,357 4.963,358 3.023,359 2.101,360 2.746,362 5.821,363 1.931,364 2.928,365 1.963,366 4.42,367 2.865,368 1.869,369 2.074,371 4.275,372 1.86,373 2.88,374 1.886,375 4.075,376 2.545,377 1.596,378 1.889,380 3.727,381 1.509,382 2.773,383 1.656,384 3.874,385 2.512,386 1.528,387 1.882,389 3.496,390 1.501,391 2.554,392 1.485,393 3.54,394 2.293,395 1.345,396 1.554,398 2.984,399 1.271,400 2.101,401 1.242,402 3.155,403 2.012,404 1.053,405 1.087,407 1.988,408 1.003,409 1.86,410 1.046,411 3.072,412 1.608,413 0.695,414 0.784,415 1.31,416 0.627,417 1.57,418 0.615,419 2.782,420 1.377,421 0.426,422 0.458,423 0.848,424 0.402,425 1.441,426 0.601,427 2.541,428 1.232,429 0.311,430 0.356,431 0.577,432 0.285,433 1,434 0.153,435 2.359,436 0.822,437 -0.125,438 -0.132,439 -0.213,440 -0.117,441 0.895,442 -0.085,443 2.287,444 0.617,445 -0.33,446 -0.387,448 -0.665,449 -0.31,450 0.794,451 -0.314,452 2.17,453 0.393,454 -0.514,455 -0.621,457 -1.242,458 -0.466,459 12.267,460 0.472,461 0.451,462 0.017,463 30,464 1.154,465 14,466 0.538,467 16,468 0.615,469 23.641,470 0.909,471 30.333,472 0.542,473 20.569,474 0.791,475 5.49,476 0.211,477 7.145,478 0.275,479 0.147,481 0.245,485 1.001,486 1.403,487 0.984,488 1.268,489 1.145,490 1.135,491 1.029,492 1.038,493 0.962,494 1.114,495 0.64,496 1.056,497 1.082,498 1.108,499 0.94,500 1.051,501 0.819,502 0.99,503 1.137,504 0.989,505 1.067,506 1.061,507 0.994,508 1.062,509 0.814,510 1.041,511 0.932,512 1.052,513 0.812,514 1.017,515 0.835,516 0.993,517 0.829,518 0.976,519 0.718,520 0.917,521 1.337,522 1.055,523 1.029,524 1.01,525 0.96,526 1,527 1.268,528 1.01,529 1.161,530 1.037,531 1.247,532 1.076,533 4.5,534 0.091,535 2.222,536 1.125,537 1.227,538 0.611,539 0.467,540 0.335,541 0.222,542 0.127,543 8067,544 17701,545 1.974,546 53.6,547 15,548 8,550 1,551 4,553 2,555 1.688,556 1.857,557 3.616,558 1.697,564 81.567,565 1.457,566 3.229,567 4.392,568 4.923,569 5.209,570 5.28,571 3.123,572 4.547,573 4.66,574 3.791,575 1232.07,576 8.069,577 16356.6,579 1,582 325.212,583 1.335,584 4.634,585 0.167,586 0.006,587 0.065,588 0.032,589 0.04,590 0.02,591 0.015,592 0.012,593 0.01,594 0.007,595 0.374,597 0.75,598 2.146,599 130.58,600 -0.057,601 -0.064,602 0.028,603 -0.04,604 -0.093,605 0.006,606 0.084,607 0.087,608 0.045,609 -0.006,610 0.239,611 0.003,612 -0.05,613 -0.073,614 0.051,615 -0.007,616 0.043,617 0.031,618 -0.062,619 0.026,620 -0.074,621 -0.043,622 -0.006,623 -0.06,624 0.092,625 -0.069,626 0.034,627 -0.031,628 0.037,629 -0.008,630 0.195,631 -0.036,632 0.156,633 0.012,634 0.204,635 0.069,636 0.062,637 -0.088,639 -0.026,640 0.109,641 -0.03,642 -0.11,643 -0.012,644 -0.154,645 -0.073,646 -0.138,647 -0.112,648 1.491,649 2.402,650 0.462,651 30.379,652 0.992,653 1.139,654 4.379,655 19.171,656 0.622,657 3.332,658 3.555,659 3.738,660 3.912,661 4.111,662 4.127,663 4.127,664 4.174,665 4.234,666 4.174,667 7.31,668 0.578,669 358.54,670 3.332,671 4.812,672 5.609,673 6.438,674 7.261,675 8.101,676 8.937,677 9.786,678 10.63,679 11.483,680 7.1,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 2,718 56,719 12,720 1,721 27,723 57,724 20,725 10,726 3,727 3,729 2,730 2,734 1,739 7,741 10,742 10,757 30,758 6,759 4,760 6,764 4,769 1,770 2,776 1,781 2,802 2,806 2,810 26,811 2,816 8,818 2,829 3.6,834 2,836 14,837 10.233,838 6.139,839 3.619,840 2.265,841 1.336,842 0.934,843 8.654,844 9.008,845 3.526,846 4.025,847 4.505,848 4.992,849 5.513,850 5.611,851 5.78,852 6.116,853 6.448,854 6.645,855 0.889,856 35,857 9.586,859 3.786,860 7.615,861 18.646,863 14.448,865 2.115,866 55,868 1,869 1,870 306.049,871 100.604,872 99.365,874 22,877 100.604,878 328.048,879 99.365,880 19.708,881 22.334,882 94.223,883 45.342,884 47.905,885 4.227,886 294.278,888 306.049,889 199.969,890 22,893 282.506,894 45.542,897 42.106,898 124.292,899 33.571,901 306.049,902 121.365,903 100.604,906 306.049,907 43.419,908 57.184,910 121.365,911 306.049,912 121.365,913 100.604,915 0.549,916 0.309,917 0.16,918 0.087,919 12,920 6,921 0.193,922 11,924 1,925 3.886,926 192.299,928 12,929 122.211,933 20.468,934 10.993,935 6.774,937 121.365,938 7.495,939 8.031,943 3.975,945 65.794,946 528.017,947 33,956 55.549,957 63.81,958 0.251,959 0.556,960 0.756,961 0.848,962 0.897,963 0.909,964 4.71,965 1.345,966 5.541,967 3.496,968 4.234,969 4.71,970 1.586,971 6.252,972 4.138,973 5.859,974 1.053,975 7.036,976 2.984,977 3.611,978 4.407,980 6.969,981 3.461,982 7.127,983 0.695,984 8.634,985 1.988,986 5.72,987 6.815,988 1.285,989 10.036,990 5.54,991 8.434,992 0.426,993 10.294,994 1.31,995 5.943,996 7.341,998 11.598,999 5.708,1000 9.776,1001 0.311,1002 11.995,1003 0.848,1004 7.477,1005 9.223,1006 1.035,1007 14.157,1008 7.223,1009 11.142,1010 -0.125,1011 13.724,1012 0.577,1013 8.124,1014 10.136,1016 16.075,1017 7.824,1018 12.527,1019 -0.33,1020 15.473,1021 -0.213,1022 9.402,1023 11.783,1024 0.828,1025 18.441,1026 9.082,1027 2.98,1028 -0.514,1029 17.236,1030 -0.665,1031 10.266,1032 12.895,1034 20.521,1035 9.907,1036 2.765,1037 9.444,1038 19.011,1039 -1.242,1040 11.427,1041 14.419,1042 0.656,1043 22.807,1044 11.047,1045 2.283,1046 8.479,1047 20.794,1048 3.975,1049 12.399,1050 15.64,1052 24.964,1053 11.985,1054 2.101,1055 6.647,1056 22.583,1057 3.813,1058 13.509,1059 17.098,1060 0.515,1061 27.216,1062 13.072,1063 1.869,1064 5.821,1065 24.379,1066 2.883,1067 14.533,1068 18.38,1070 29.41,1071 14.065,1072 1.596,1073 4.275,1074 26.178,1075 2.746,1076 15.622,1077 19.8,1078 0.401,1079 31.649,1080 15.129,1081 1.528,1082 3.727,1083 27.981,1084 2.074,1085 16.673,1086 21.118,1088 33.862,1089 16.15,1090 8242,1091 12506,1092 17.682,1093 34.83,1094 37.887,1095 38.554,1096 39.376,1097 37.915,1098 37.905,1099 47.004,1100 4.8,1101 99.195,1102 36.002,1103 5.262,1104 5.264,1105 6.222,1106 5.02,1107 4.98,1108 6.975,1109 1.72,1110 15.9,1111 4.894,1112 13.717,1113 1.403,1114 1.428,1115 1.458,1116 1.404,1117 1.404,1118 1.741,1119 0.178,1120 3.674,1121 1.333,1122 3.989,1123 4.018,1124 3.94,1125 3.895,1126 5.291,1127 3.901,1128 3.811,1129 3.862,1130 3.768,1131 3.658,1132 4.98,1133 3.672,1134 3.769,1135 3.827,1136 3.606,1137 3.642,1138 4.898,1139 3.632,1140 3.564,1141 3.634,1142 3.383,1143 3.412,1144 4.574,1145 3.393,1146 3.306,1147 3.371,1148 3.145,1149 3.091,1150 4.447,1151 3.087,1152 3.224,1153 3.305,1154 3.074,1155 3,1156 4.219,1157 3.002,1158 3.186,1159 3.274,1160 2.975,1161 2.952,1162 4.124,1163 2.955,1164 3.002,1165 3.126,1166 2.843,1167 2.7,1168 3.908,1169 2.714,1170 0.16,1171 0.121,1172 0.232,1173 0.146,1174 0.11,1175 4.331,1176 0.147,1177 3.264,1178 0.032,1179 6.251,1180 0.35,1181 3.951,1182 0.107,1183 2.98,1184 3.975,1185 0.86,1186 9.444,1187 2.894,1188 1.932,1189 1.912,1190 2.052,1191 2.05,1192 1.395,1193 2.043,1194 1.791,1195 1.731,1196 2.02,1197 1.957,1198 1.212,1199 1.986,1200 1.728,1201 1.685,1202 1.881,1203 1.91,1204 1.169,1205 1.893,1206 1.583,1207 1.514,1208 1.811,1209 1.773,1210 0.886,1211 1.808,1212 1.288,1213 1.214,1214 1.626,1215 1.547,1216 0.844,1217 1.57,1218 1.184,1219 1.106,1220 1.564,1221 1.485,1222 0.574,1223 1.515,1224 1.157,1225 1.082,1226 1.401,1227 1.42,1228 0.538,1229 1.422,1230 0.923,1231 0.831,1232 1.328,1233 1.296,1234 0.401,1235 1.297,1236 4.007,1238 5.252,1240 6.691,1242 8.23,1244 9.825,1246 3.882,1250 11.504,1252 8.756,1254 11.357,1262 32.364,1263 81.567,1264 180.84,1265 245.928,1266 275.702,1267 291.702,1268 295.702,1269 51.111,1270 6.743,1271 96.28,1272 96.28,1273 12,1274 12.041,1275 3.7,1276 2.807,1277 55.24,1278 109,1279 148,1280 0.239,1281 205.436,1282 353.78,1283 493.023,1284 7267,1286 18.778,1287 0.722,1288 0.609,1289 18.778,1290 15.832,1291 12.635,1292 0.468,1293 0.345,1294 9.177,1295 12.138,1296 8.914,1297 7.537,1298 12.635,1299 9.302,1300 10.409,1301 0.306,1302 0.188,1303 10.409,1304 6.405,1305 8.203,1306 0.2,1307 0.105,1308 8.203,1309 4.316,1310 6.369,1311 0.13,1312 0.058,1313 6.369,1314 2.831,1315 4.915,1316 0.082,1317 0.031,1318 4.915,1319 1.839,1320 0.385,1321 79.271,1322 0.238,1323 25.824,1324 0.626,1325 122,1326 339.386,1327 134.472,1328 325.641,1329 444.14,1330 306,1331 136,1332 324.972,1333 147.641,1334 329.794,1335 473.65,1336 308,1337 4.523}
{0 CHEMBL79123,1 1.477,2 9.19,3 1.879,4 3.529,5 84.662,6 7.578,7 0.739,8 3.724,9 3.871,10 3.299,11 3.244,12 4.91,13 3.238,14 4.179,15 4.365,16 3.646,17 3.609,18 5.346,19 3.576,20 4.372,21 4.571,22 3.698,23 3.724,24 5.437,25 3.678,26 4.466,27 4.693,28 3.618,29 3.693,30 5.588,31 3.607,32 4.518,33 4.806,34 3.348,35 3.595,36 5.484,37 3.483,38 4.289,39 4.565,40 3.22,41 3.456,42 5.248,43 3.329,44 4.133,45 4.393,46 3.099,47 3.341,48 5.095,49 3.227,50 4.039,51 4.315,52 2.99,53 3.195,54 5.011,55 3.072,56 0.049,57 0.615,58 7.432,59 2.674,60 10.435,61 3.788,62 0.178,63 0.918,64 12.716,65 4.833,66 20.659,67 6.805,68 0.1,69 1.067,70 15.793,71 5.375,72 14.92,73 7.944,74 0.24,75 1.101,76 18.221,77 6.233,78 32.83,79 9.183,80 0.319,81 1.032,82 21.608,83 5.518,84 42.033,85 8.842,86 0.225,87 0.829,88 16.753,89 5.585,90 28.341,91 8.379,92 0.138,93 0.726,94 13.905,95 4.532,96 21.802,97 6.848,98 0.12,99 0.639,100 13.02,101 4.372,102 20.701,103 6.653,104 10,105 32,106 0.265,107 0.649,108 0.775,109 0.831,110 0.844,111 0.844,112 3.103,113 0.862,114 -3.89,115 -3.85,116 -3.65,119 40.5,120 1,125 1,139 5,140 3,141 1,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 7,169 2,170 4,172 3,173 3,175 4,178 7,180 1,182 3,187 4,189 2,191 1,192 1,193 5,195 3,196 4,197 1,198 6,200 2,201 2,204 3,205 1,212 1,215 4,218 1,221 2,224 2,225 1,226 2,228 1,229 7,231 2,234 2,241 5,246 5,250 1,251 2,253 1,254 2,256 2,260 4,265 2,270 2,273 533,274 14.137,275 14.137,276 14.137,277 14.137,278 14.137,279 11.977,280 16.894,281 8.369,282 14.429,283 11.345,284 11.345,285 11.345,286 11.345,287 11.345,288 8.186,289 25.313,290 3.984,291 11.829,292 3.733,293 1.597,294 0.895,295 0.581,296 0.507,297 0.507,298 3.784,300 1,301 1,302 1,303 415,304 2.345,307 167.649,311 87.201,314 1.438,315 15.722,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 45,327 193,328 4.654,329 3.314,330 6.835,331 4.185,332 3.212,333 4.616,334 0.657,335 11.231,336 3.13,337 3.944,338 2.793,339 5.805,340 3.557,341 2.595,342 3.467,344 7.881,345 2.496,346 3.853,347 2.577,348 5.334,349 3.421,350 2.454,351 3.385,353 6.932,354 2.372,355 3.454,356 2.193,357 5.095,358 2.984,359 2.048,360 2.861,362 5.904,363 1.91,364 3.384,365 2.049,366 5.006,367 2.901,368 1.978,369 2.709,371 5.789,372 1.82,373 2.923,374 1.69,375 4.247,376 2.495,377 1.517,378 2.092,380 3.573,381 1.482,382 2.704,383 1.503,384 3.644,385 2.298,386 1.341,387 1.775,389 3.124,390 1.279,391 2.5,392 1,393 3.259,394 2,395 1,396 1.5,398 2.136,399 1,400 1.997,401 0.95,402 3.247,403 1.706,404 0.763,405 0.912,407 1.778,408 0.718,409 1.385,410 0.293,411 2.827,412 0.996,413 0.059,414 0.074,415 0.144,416 0.055,417 1.189,418 0.104,419 2.772,420 0.836,421 -0.116,422 -0.143,423 -0.302,424 -0.111,425 0.931,426 -0.287,427 2.558,428 0.486,429 -0.436,430 -0.562,431 -1.126,432 -0.399,433 0.684,434 -0.438,435 2.081,436 0.307,437 -0.643,438 -0.787,439 -1.445,440 -0.607,441 0.5,442 -0.727,443 2,444 0.073,445 -0.86,446 -1.113,448 -2.111,449 -0.801,450 0.422,451 -1,452 1.555,454 -1,455 -1.5,457 -2.347,458 -1,459 9.9,460 0.471,461 0.524,462 0.025,463 31.5,464 1.5,465 17.5,466 0.833,467 14,468 0.667,469 13.064,470 0.622,471 21.9,472 0.592,473 20.704,474 0.986,475 6.302,476 0.3,477 3.846,478 0.183,479 0.131,481 0.354,485 1.18,486 1.242,487 0.829,488 0.916,489 1.315,490 0.835,491 0.581,492 0.934,493 0.742,494 0.933,495 0.464,496 0.874,497 1.061,498 1.333,499 0.958,500 1.137,501 0.885,502 1.049,503 0.727,504 1.189,505 1.075,506 1.305,507 0.626,508 1.254,509 1.562,510 0.821,511 1.218,512 0.819,513 1.451,514 0.941,515 0.739,516 0.767,517 0.961,518 0.946,519 0.872,520 0.981,521 1.025,522 0.953,523 1.06,524 1.012,525 1.091,526 1.036,527 0.675,528 0.984,529 0.862,530 1.022,531 0.722,532 0.979,533 4,534 0.062,535 2.222,536 1.688,537 1.4,538 0.583,539 0.264,540 0.271,541 0.143,542 0.086,543 4383,544 11649,545 2.074,546 43.2,547 3,548 7,550 1,551 5,555 1.63,556 1.938,557 3.154,558 2.798,560 1,562 1,564 54.637,565 1.477,566 3.612,567 4.314,568 4.628,569 4.703,570 4.703,571 2.684,572 4.107,573 4.363,574 3.292,575 691.379,576 7.467,577 7243.17,578 1,579 1,581 1,582 192.75,583 1.418,584 4.322,585 0.174,586 0.009,587 0.069,588 0.051,589 0.05,590 0.028,591 0.014,592 0.016,593 0.01,594 0.008,595 0.428,596 0.5,597 1,598 0.61,599 94.625,600 -0.218,601 -0.036,602 0.007,603 0.085,604 -0.319,605 0.081,606 0.338,607 0.182,608 0.143,609 0.076,610 0.297,611 0.079,612 -0.127,613 -0.259,614 -0.056,615 -0.146,616 -0.104,617 -0.1,618 0.26,619 -0.168,620 -0.135,621 -0.338,622 0.282,623 -0.304,624 -0.378,625 0.12,626 -0.187,627 0.086,628 -0.326,629 -0.003,630 0.134,631 0.139,632 0.035,633 0.052,634 0.041,635 0.032,636 -0.149,637 -0.016,638 -0.086,639 -0.015,640 -0.186,641 -0.037,642 0.136,643 -0.106,644 0.136,645 -0.01,646 0.166,647 0.051,648 1.526,649 1.943,650 0.762,651 15.923,652 1.001,653 1.137,654 2.663,655 7.092,656 0.671,657 3.178,658 3.497,659 3.761,660 4.025,661 4.22,662 4.234,663 4.248,664 4.344,665 4.394,666 4.357,667 5.343,668 0.642,669 280.37,670 3.178,671 4.71,672 5.557,673 6.435,674 7.298,675 8.183,676 9.054,677 9.943,678 10.819,679 11.712,680 16.2,684 2,685 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,712 1,718 37,719 17,720 1,721 23,723 39,724 15,725 13,726 1,727 5,729 3,730 4,734 1,741 13,742 2,753 1,754 1,757 16,758 6,759 5,760 6,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,810 21,811 2,816 1,817 1,836 10.833,837 6.767,838 4.611,839 1.99,840 3.293,841 1.485,842 1.025,843 3.585,844 10.086,845 3.481,846 4.143,847 4.766,848 5.383,849 5.953,850 6.196,851 6.51,852 6.888,853 7.254,854 7.314,855 1,856 33,857 7.677,859 3.203,860 7.722,861 14.553,863 11.649,865 2.222,866 46.667,870 129.482,871 85.003,872 134.162,877 85.003,878 129.482,879 134.162,880 8.825,881 2.106,882 113.176,883 80.138,884 22.464,885 4.227,886 117.711,888 129.482,889 219.164,893 131.197,897 21.877,898 127.204,899 68.367,901 129.482,902 134.162,903 85.003,906 129.482,907 19.749,908 65.254,909 18.011,910 116.151,911 129.482,912 134.162,913 85.003,915 0.582,916 0.341,917 0.188,918 0.098,919 16,920 7,921 0.077,922 3,923 1,924 1.125,925 3.344,926 160.562,927 0.125,928 16,929 88.239,933 13.587,934 5.542,935 2.735,936 1.289,937 134.162,938 11.783,939 12.443,943 3.622,945 83.805,946 348.647,947 31.5,956 37.029,957 42.066,958 0.283,959 0.693,960 0.828,961 0.888,962 0.903,963 0.903,964 4.694,965 1,966 5.541,967 3.124,968 4.174,969 4.828,970 0.623,971 6.351,972 4.094,973 5.923,974 0.763,975 7.099,976 2.136,977 3.761,978 4.691,980 7.261,981 3.651,982 7.241,983 0.059,984 8.76,985 1.778,986 5.759,987 7.122,988 0.317,989 10.388,990 5.611,991 8.598,992 -0.116,993 10.483,994 0.144,995 6.155,996 7.814,998 12.162,999 5.99,1000 9.987,1001 -0.436,1002 12.248,1003 -0.302,1004 7.638,1005 9.724,1006 0.149,1007 14.828,1008 7.439,1009 11.4,1010 -0.643,1011 14.042,1012 -1.126,1013 8.429,1014 10.836,1016 16.976,1017 8.217,1018 12.834,1019 -0.86,1020 15.86,1021 -1.445,1022 9.704,1023 12.524,1024 0.067,1025 19.486,1026 9.463,1027 3.212,1028 -1,1029 17.697,1030 -2.111,1031 10.691,1032 13.852,1034 21.793,1035 10.433,1036 2.595,1037 11.231,1038 19.548,1039 -2.347,1040 11.885,1041 15.444,1042 0.03,1043 24.245,1044 11.601,1045 2.454,1046 7.881,1047 21.412,1048 4.616,1049 12.965,1050 16.879,1052 26.619,1053 12.661,1054 2.048,1055 6.932,1056 23.287,1057 3.467,1058 14.132,1059 18.431,1060 0.013,1061 29.05,1062 13.803,1063 1.978,1064 5.904,1065 25.17,1066 3.385,1067 15.255,1068 19.916,1070 31.449,1071 14.904,1072 1.517,1073 5.789,1074 27.059,1075 2.861,1076 16.415,1077 21.453,1078 0.006,1079 33.872,1080 16.039,1081 1.341,1082 3.573,1083 28.955,1084 2.709,1085 17.559,1086 22.962,1088 36.283,1089 17.16,1090 4258,1091 7058,1092 15.315,1093 24.841,1094 34.207,1095 34.151,1096 34.947,1097 33.954,1098 33.934,1099 46.781,1100 1.315,1101 96.984,1102 32.525,1103 5.479,1104 5.314,1105 6.637,1106 5.26,1107 5.212,1108 7.616,1109 1.315,1110 18.466,1111 5.13,1112 9.453,1113 1.487,1114 1.485,1115 1.519,1116 1.476,1117 1.475,1118 2.034,1119 0.057,1120 4.217,1121 1.414,1122 4.071,1123 4.112,1124 4.047,1125 3.959,1126 5.321,1127 3.975,1128 3.889,1129 3.927,1130 3.82,1131 3.814,1132 4.982,1133 3.811,1134 3.545,1135 3.613,1136 3.475,1137 3.36,1138 4.824,1139 3.382,1140 3.213,1141 3.31,1142 3.065,1143 2.997,1144 4.76,1145 2.998,1146 3.134,1147 3.233,1148 3.036,1149 2.877,1150 4.225,1151 2.902,1152 3.023,1153 3.152,1154 2.81,1155 2.735,1156 4.047,1157 2.722,1158 2.854,1159 2.925,1160 2.687,1161 2.705,1162 3.958,1163 2.715,1164 2.785,1165 2.866,1166 2.649,1167 2.618,1168 3.674,1169 2.619,1170 0.202,1171 0.144,1172 0.297,1173 0.182,1174 0.14,1175 4.654,1176 0.201,1177 3.314,1178 0.029,1179 6.835,1180 0.488,1181 4.185,1182 0.136,1183 3.212,1184 4.616,1185 0.657,1186 11.231,1187 3.13,1188 1.998,1189 1.967,1190 2.067,1191 2.133,1192 1.228,1193 2.112,1194 1.881,1195 1.849,1196 1.998,1197 1.984,1198 1.06,1199 1.992,1200 1.479,1201 1.418,1202 1.631,1203 1.704,1204 0.736,1205 1.693,1206 1.195,1207 1.104,1208 1.534,1209 1.46,1210 0.559,1211 1.487,1212 1.048,1213 0.962,1214 1.285,1215 1.366,1216 0.227,1217 1.346,1218 0.946,1219 0.826,1220 1.258,1221 1.329,1222 0.218,1223 1.333,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1228 0.105,1229 1.107,1230 0.773,1231 0.701,1232 1.054,1233 1,1235 1.021,1236 3.85,1238 5.165,1240 6.688,1242 8.314,1244 9.993,1246 1.988,1250 11.535,1252 0.655,1253 3.351,1262 23.762,1263 54.637,1264 133.656,1265 159.63,1266 171.24,1267 173.995,1268 173.995,1269 25.37,1270 6.793,1271 102.74,1272 102.74,1273 18,1274 12.242,1275 4.17,1276 3.248,1277 32.26,1278 67,1279 66,1280 0.241,1281 149.822,1282 243.16,1283 357.326,1284 7399,1286 14.82,1287 0.706,1288 0.556,1289 14.82,1290 11.668,1291 10.148,1292 0.441,1293 0.287,1294 6.525,1295 9.814,1296 6.34,1297 5.307,1298 10.148,1299 6.61,1300 9.169,1301 0.287,1302 0.15,1303 9.169,1304 4.794,1305 7.61,1306 0.181,1307 0.081,1308 7.61,1309 3.391,1310 6.623,1311 0.12,1312 0.041,1313 6.623,1314 2.264,1315 4.949,1316 0.074,1317 0.021,1318 4.949,1319 1.41,1320 0.373,1321 63.189,1322 0.256,1323 20.797,1324 0.672,1325 110,1326 295.893,1327 119.88,1328 299.236,1329 419.67,1330 280,1331 129,1332 322.479,1333 138.492,1334 330.871,1335 481.41,1336 311,1337 6.77}
{0 CHEMBL79182,1 1.663,2 10.043,3 1.925,4 3.706,5 85.995,6 8.141,7 0.68,8 3.761,9 3.881,10 3.389,11 3.277,12 5.016,13 3.292,14 4.22,15 4.373,16 3.748,17 3.63,18 5.517,19 3.626,20 4.381,21 4.541,22 3.822,23 3.737,24 5.598,25 3.731,26 4.511,27 4.691,28 3.767,29 3.671,30 5.826,31 3.652,32 4.496,33 4.73,34 3.497,35 3.538,36 5.668,37 3.499,38 4.29,39 4.523,40 3.355,41 3.413,42 5.496,43 3.342,44 4.126,45 4.344,46 3.243,47 3.334,48 5.252,49 3.271,50 4.043,51 4.261,52 3.269,53 3.283,54 5.368,55 3.218,56 0.09,57 0.598,58 6.609,59 2.923,60 13.79,61 3.541,62 0.344,63 0.89,64 12.229,65 5.139,66 33.403,67 6.386,68 0.186,69 1.027,70 14.038,71 5.626,72 22.882,73 7.172,74 0.47,75 1.052,76 18.173,77 6.389,78 56.862,79 7.887,80 0.525,81 0.976,82 20.368,83 5.296,84 62.466,85 6.935,86 0.466,87 0.78,88 16.53,89 5.263,90 53.683,91 7.253,92 0.264,93 0.683,94 13.587,95 4.81,96 39.145,97 6.324,98 0.314,99 0.661,100 11.91,101 4.229,102 43.925,103 6.009,104 17,105 35,106 0.295,107 0.673,108 0.777,109 0.832,110 0.845,111 0.845,112 3.188,113 0.834,114 -4.12,115 -4.07,116 -3.85,119 42.1,120 1,125 1,139 5,140 4,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,166 9,169 3,170 7,172 3,173 3,175 1,178 9,180 1,182 8,187 1,189 3,191 1,192 2,193 12,195 3,196 3,197 1,198 3,200 2,201 1,204 3,205 1,207 3,212 1,215 3,218 1,220 3,221 3,223 1,224 1,226 2,229 6,231 2,234 2,241 7,245 2,246 4,248 2,249 2,251 1,254 5,256 1,260 5,265 2,268 2,270 2,273 700,274 15.345,275 15.345,276 15.345,277 15.345,278 15.345,279 13.092,280 13.678,281 9.008,282 15.675,283 12.306,284 12.306,285 12.306,286 12.306,287 12.306,288 8.94,289 16.546,290 4.257,291 12.818,292 3.585,293 1.46,294 0.872,295 0.566,296 0.494,297 0.494,298 3.867,300 1,301 1,302 1,303 494,304 2.915,307 195.362,311 101.378,314 1.44,315 26.963,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50.5,327 231,328 4.654,329 3.666,330 6.835,331 4.184,332 3.212,333 4.616,334 1.727,335 11.231,336 3.128,337 4.143,338 3.309,339 6.022,340 3.779,341 2.789,342 3.672,343 0.636,344 8.553,345 2.754,346 3.901,347 2.748,348 5.795,349 3.488,350 2.531,351 3.408,353 7.838,354 2.42,355 3.455,356 2.25,357 5.097,358 2.992,359 2.059,360 2.861,362 5.917,363 1.915,364 3.396,365 2.177,366 5.009,367 2.906,368 1.986,369 2.719,371 5.795,372 1.825,373 3.265,374 2.055,375 4.349,376 2.786,377 1.802,378 2.531,380 4.242,381 1.761,382 2.712,383 1.749,384 4.192,385 2.322,386 1.371,387 1.782,389 3.512,390 1.299,391 2.6,392 1.339,393 3.513,394 2.119,395 1.158,396 1.6,398 2.68,399 1.102,400 2.5,401 1.321,402 3.247,403 2,404 1,405 1.5,407 2.136,408 1,409 1.95,410 1,411 3.173,412 1.577,413 0.618,414 0.78,415 1.442,416 0.584,417 1.342,418 0.52,419 2.824,420 0.898,421 -0.027,422 -0.035,423 -0.066,424 -0.025,425 1.185,426 0.113,427 2.721,428 0.833,429 -0.125,430 -0.152,431 -0.32,432 -0.119,433 0.895,434 -0.124,435 2.516,436 0.452,437 -0.462,438 -0.584,439 -1.17,440 -0.421,441 0.748,442 -0.306,443 2.065,444 0.28,445 -0.739,446 -0.937,448 -1.605,449 -0.705,450 0.5,451 -0.594,452 2,453 0.143,454 -0.793,455 -1.104,457 -1.989,458 -0.776,459 10.667,460 0.464,461 0.613,462 0.027,463 33.75,464 1.467,465 18.5,466 0.804,467 15.25,468 0.663,469 14.679,470 0.638,471 24.133,472 0.635,473 24.207,474 1.052,475 6.883,476 0.299,477 4.175,478 0.182,479 0.153,481 0.375,485 0.908,486 1.205,487 0.744,488 0.966,489 0.881,490 0.831,491 0.649,492 0.819,493 0.692,494 0.871,495 0.505,496 0.816,497 0.946,498 1.348,499 0.88,500 1.22,501 0.798,502 1.062,503 1.298,504 1.129,505 1.124,506 1.239,507 1.255,508 1.188,509 1.722,510 0.856,511 1.33,512 0.848,513 1.447,514 0.962,515 0.932,516 0.748,517 1.026,518 0.896,519 1.131,520 0.97,521 1.147,522 0.934,523 0.979,524 0.957,525 1.368,526 0.955,527 0.439,528 0.925,529 0.843,530 0.989,531 0.592,532 1,533 4.5,534 0.07,535 2.889,536 2.063,537 1.44,538 0.701,539 0.364,540 0.29,541 0.222,542 0.148,543 5661,544 17226,545 2.041,546 39.5,547 3,548 7,550 1,551 4,555 1.655,556 1.89,557 3.28,558 1.865,559 1,560 1,562 1,564 63.208,565 1.663,566 3.788,567 4.376,568 4.682,569 4.754,570 4.754,571 2.736,572 4.089,573 4.497,574 3.418,575 864.745,576 7.73,577 9816.54,578 1,579 1,581 1,582 199.421,583 1.478,584 4.443,585 0.18,586 0.006,587 0.083,588 0.056,589 0.045,590 0.029,591 0.017,592 0.014,593 0.011,594 0.009,595 0.451,596 0.17,597 1,598 0.636,599 107.774,600 -0.146,601 -0.035,602 0.008,603 0.035,604 -0.202,605 0.061,606 0.278,607 0.258,608 0.161,609 0.136,610 0.19,611 0.117,612 -0.091,613 -0.282,614 -0.03,615 -0.227,616 -0.043,617 -0.129,618 -0.02,619 -0.149,620 -0.157,621 -0.285,622 -0.014,623 -0.273,624 -0.42,625 0.105,626 -0.276,627 0.049,628 -0.297,629 -0.045,630 0.147,631 0.164,632 0.011,633 0.082,634 0.025,635 0.031,636 -0.139,637 -0.039,638 0.022,639 0.071,640 -0.178,641 0.074,642 0.373,643 0.043,644 0.119,645 0.009,646 0.356,647 0.007,648 2.063,649 4.996,650 0.696,651 18.367,652 1.015,653 1.131,654 2.89,655 8.351,656 0.677,657 3.258,658 3.584,659 3.85,660 4.094,661 4.277,662 4.29,663 4.304,664 4.369,665 4.419,666 4.407,667 5.82,668 0.662,669 309.36,670 3.258,671 4.796,672 5.645,673 6.524,674 7.388,675 8.272,676 9.143,677 10.03,678 10.906,679 11.795,680 13.2,684 2,690 3,694 2,695 6,696 3,700 5,702 17,710 1,711 2,718 38,719 18,720 1,721 25,723 40,724 16,725 13,726 1,727 5,728 1,729 3,730 4,734 1,741 14,742 2,744 1,748 1,751 1,753 1,754 1,757 15,758 7,759 4,760 7,764 5,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,806 1,810 23,811 2,816 1,818 1,829 5.3,832 1,834 1,836 12.167,837 7.1,838 5.056,839 2.032,840 3.236,841 1.468,842 0.999,843 4.086,844 10.151,845 3.57,846 4.22,847 4.84,848 5.437,849 5.995,850 6.236,851 6.541,852 6.858,853 7.191,854 7.208,855 0.857,856 37,857 8.438,859 3.572,860 7.949,861 15.608,863 12.386,865 2.449,866 56.333,870 129.482,871 95.11,872 116.151,874 36.145,877 95.11,878 165.627,879 116.151,880 8.825,881 4.592,882 113.176,883 94.464,884 33.892,885 4.227,886 117.711,888 129.482,889 211.261,890 36.145,893 131.197,894 36.145,897 24.364,898 134.825,899 50.357,901 129.482,902 152.296,903 95.11,906 129.482,907 29.856,908 65.254,910 152.296,911 129.482,912 152.296,913 95.11,915 0.585,916 0.347,917 0.187,918 0.096,919 17,920 8,921 0.1,922 4,923 1,924 1.125,925 3.498,926 181.123,927 0.125,928 16,929 100.042,933 15.192,934 6.186,935 3.076,936 1.04,937 152.296,938 10.388,939 12.204,943 2.378,945 65.794,946 376.887,947 34.5,951 11.996,954 -0.397,956 38.582,957 42.986,958 0.317,959 0.722,960 0.834,961 0.892,962 0.906,963 0.906,964 4.79,965 1.158,966 5.638,967 3.512,968 4.263,969 4.905,970 2.051,971 6.457,972 4.186,973 6.022,974 1,975 7.207,976 2.68,977 3.892,978 4.796,980 7.391,981 3.803,982 7.343,983 0.618,984 8.879,985 2.136,986 5.861,987 7.189,988 2.951,989 10.508,990 5.724,991 8.703,992 -0.027,993 10.611,994 1.442,995 6.293,996 7.901,998 12.283,999 6.156,1000 10.095,1001 -0.125,1002 12.382,1003 -0.066,1004 7.755,1005 9.785,1006 3.994,1007 14.936,1008 7.576,1009 11.51,1010 -0.462,1011 14.181,1012 -0.32,1013 8.566,1014 10.905,1016 17.071,1017 8.383,1018 12.944,1019 -0.739,1020 16.001,1021 -1.17,1022 9.827,1023 12.577,1024 5.073,1025 19.565,1026 9.61,1027 3.212,1028 -0.793,1029 17.837,1030 -1.605,1031 10.819,1032 13.905,1034 21.858,1035 10.59,1036 2.789,1037 11.231,1038 19.686,1039 -1.989,1040 12.003,1041 15.486,1042 6.161,1043 24.298,1044 11.744,1045 2.531,1046 8.553,1047 21.545,1048 4.616,1049 13.079,1050 16.917,1052 26.66,1053 12.801,1054 2.059,1055 7.838,1056 23.414,1057 3.672,1058 14.237,1059 18.463,1060 7.253,1061 29.083,1062 13.931,1063 1.986,1064 5.917,1065 25.289,1066 3.408,1067 15.353,1068 19.944,1070 31.475,1071 15.025,1072 1.802,1073 5.795,1074 27.172,1075 2.861,1076 16.505,1077 21.476,1078 8.346,1079 33.893,1080 16.149,1081 1.371,1082 4.242,1083 29.059,1084 2.719,1085 17.641,1086 22.981,1088 36.299,1089 17.26,1090 5510,1091 9735,1092 16.414,1093 25.745,1094 37.551,1095 38.743,1096 38.51,1097 37.109,1098 37.05,1099 50.939,1100 4.727,1101 106.688,1102 35.574,1103 5.524,1104 5.666,1105 6.637,1106 5.261,1107 5.212,1108 7.616,1109 3.455,1110 18.467,1111 5.128,1112 11.707,1113 1.502,1114 1.55,1115 1.54,1116 1.484,1117 1.482,1118 2.038,1119 0.189,1120 4.268,1121 1.423,1122 4.068,1123 4.106,1124 4.046,1125 3.954,1126 7.433,1127 3.971,1128 3.908,1129 3.931,1130 3.849,1131 3.839,1132 5.321,1133 3.836,1134 3.558,1135 3.613,1136 3.493,1137 3.358,1138 4.982,1139 3.386,1140 3.3,1141 3.325,1142 3.239,1143 3.052,1144 4.818,1145 3.09,1146 3.164,1147 3.251,1148 3.05,1149 2.938,1150 4.731,1151 2.948,1152 3.023,1153 3.152,1154 2.848,1155 2.735,1156 4.387,1157 2.748,1158 2.947,1159 3.014,1160 2.776,1161 2.727,1162 4.11,1163 2.715,1164 2.854,1165 2.925,1166 2.687,1167 2.695,1168 4,1169 2.71,1170 0.186,1171 0.147,1172 0.273,1173 0.167,1174 0.128,1175 4.654,1176 0.185,1177 3.666,1178 0.069,1179 6.835,1180 0.449,1181 4.184,1182 0.125,1183 3.212,1184 4.616,1185 1.727,1186 11.231,1187 3.128,1188 1.992,1189 1.963,1190 2.053,1191 2.129,1192 1.211,1193 2.105,1194 1.895,1195 1.872,1196 2.011,1197 1.985,1198 1.069,1199 1.993,1200 1.474,1201 1.423,1202 1.619,1203 1.712,1204 0.693,1205 1.691,1206 1.199,1207 1.155,1208 1.516,1209 1.481,1210 0.558,1211 1.481,1212 1.093,1213 1.034,1214 1.274,1215 1.384,1216 0.24,1217 1.352,1218 0.946,1219 0.829,1220 1.257,1221 1.335,1222 0.218,1223 1.338,1224 0.891,1225 0.821,1226 1.181,1227 1.15,1228 0.137,1229 1.15,1230 0.886,1231 0.812,1232 1.147,1233 1.062,1235 1.107,1236 3.932,1238 5.252,1240 6.779,1242 8.404,1244 10.081,1246 1.853,1250 11.459,1252 0.09,1254 5.322,1262 25.171,1263 63.208,1264 143.937,1265 166.302,1266 177.911,1267 180.666,1268 180.666,1269 36.921,1270 6.915,1271 117.01,1272 117.01,1273 18,1274 12.327,1275 4.248,1276 3.392,1277 36.966,1278 80,1279 77,1280 0.227,1281 157.685,1282 264.4,1283 376.512,1284 8755,1286 16.397,1287 0.713,1288 0.543,1289 16.397,1290 12.484,1291 11.059,1292 0.442,1293 0.278,1294 6.841,1295 10.6,1296 6.66,1297 5.556,1298 11.059,1299 6.953,1300 10.041,1301 0.287,1302 0.143,1303 10.041,1304 5.016,1305 8.387,1306 0.182,1307 0.076,1308 8.387,1309 3.503,1310 7.113,1311 0.121,1312 0.039,1313 7.113,1314 2.279,1315 5.281,1316 0.074,1317 0.019,1318 5.281,1319 1.383,1320 0.356,1321 69.685,1322 0.247,1323 22.608,1324 0.624,1325 120,1326 389.031,1327 134.027,1328 378.041,1329 515.55,1330 352,1331 141,1332 381.88,1333 154.308,1334 387.975,1335 567.11,1336 363,1337 6.638}
{0 CHEMBL79216,1 1.684,2 11,3 2.361,4 5.575,5 97.527,6 8.055,7 0.607,8 3.908,9 4.014,10 3.523,11 3.375,12 5.159,13 3.402,14 4.382,15 4.525,16 3.865,17 3.713,18 5.652,19 3.731,20 4.499,21 4.633,22 3.955,23 3.842,24 5.736,25 3.854,26 4.646,27 4.804,28 3.905,29 3.831,30 5.938,31 3.814,32 4.643,33 4.845,34 3.767,35 3.75,36 5.873,37 3.701,38 4.582,39 4.803,40 3.559,41 3.59,42 5.762,43 3.542,44 4.361,45 4.542,46 3.445,47 3.482,48 5.484,49 3.454,50 4.26,51 4.45,52 3.496,53 3.501,54 5.535,55 3.447,56 0.134,57 0.643,58 8,59 3.647,60 14.657,61 4.271,62 0.515,63 0.939,64 15.772,65 6.105,66 42.284,67 7.146,68 0.322,69 1.092,70 16.101,71 6.508,72 27.025,73 7.807,74 0.681,75 1.138,76 21.065,77 7.65,78 62.579,79 9.305,80 0.694,81 1.094,82 22.581,83 7.584,84 59.946,85 10.185,86 0.746,87 0.934,88 23.425,89 6.876,90 79.94,91 8.904,92 0.572,93 0.76,94 18.068,95 5.922,96 53.786,97 6.92,98 0.39,99 0.781,100 14.593,101 5.636,102 47.28,103 7.493,104 30,105 39,106 0.291,107 0.645,108 0.758,109 0.842,110 0.858,111 0.881,112 3.304,113 0.827,114 -3.7,115 -3.67,116 -3.49,119 40.9,124 2,125 1,139 6,140 3,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 6,169 2,170 10,172 3,173 3,175 1,178 6,180 1,182 11,187 1,189 4,191 1,192 2,193 8,195 1,196 1,197 1,198 4,200 2,201 1,204 4,205 1,206 3,207 5,212 3,215 3,218 3,220 2,221 3,223 1,224 1,226 1,229 5,231 1,234 3,241 5,245 2,246 6,248 2,249 2,251 1,254 4,256 1,260 4,265 1,268 2,270 1,273 936,274 17.48,275 17.48,276 17.48,277 17.48,278 17.48,279 15.328,280 21.447,281 10.114,282 18.106,283 13.664,284 13.664,285 13.664,286 13.664,287 13.664,288 10.221,289 24.302,290 4.626,291 14.456,292 3.775,293 1.722,294 1.069,295 0.58,296 0.489,297 0.352,298 3.984,300 1,301 1,302 1,303 604,304 3.317,307 231.113,311 119.866,314 1.538,315 32.288,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 58,327 286,328 4.541,329 3.7,330 6.502,331 4.05,332 3.08,333 4.491,334 1.727,335 10.175,336 2.99,337 4.378,338 3.131,339 6.468,340 3.994,341 3.019,342 4.017,343 0.86,344 10.019,345 2.937,346 3.782,347 2.953,348 5.332,349 3.393,350 2.436,351 3.237,352 0.86,353 6.923,354 2.332,355 3.643,356 2.676,357 5.245,358 3.24,359 2.296,360 2.98,361 0.636,362 6.587,363 2.157,364 3.43,365 2.635,366 5.063,367 2.995,368 2.073,369 2.811,371 5.829,372 1.903,373 3.397,374 2.194,375 5.039,376 2.949,377 2.008,378 2.707,380 5.789,381 1.877,382 3.318,383 2.052,384 4.959,385 2.885,386 1.93,387 2.541,389 5.594,390 1.827,391 2.586,392 1.538,393 3.921,394 2.115,395 1.155,396 1.586,398 3.013,399 1.098,400 2.453,401 1.445,402 3.709,403 1.981,404 1.006,405 1.431,407 2.565,408 0.979,409 1.922,410 1.199,411 3.158,412 1.638,413 0.768,414 0.858,415 1.433,416 0.66,417 1.83,418 1.057,419 2.988,420 1.473,421 0.527,422 0.645,423 1.108,424 0.489,425 1.452,426 0.914,427 2.722,428 1.178,429 0.318,430 0.353,431 0.433,432 0.271,433 1.335,434 0.358,435 2.623,436 0.902,437 -0.033,438 -0.043,439 -0.08,440 -0.031,441 0.97,442 0.045,443 2.52,444 0.482,445 -0.442,446 -0.57,448 -0.89,449 -0.406,450 0.809,451 -0.135,452 2.357,453 0.423,454 -0.509,455 -0.614,457 -1.15,458 -0.46,459 11.933,460 0.459,461 0.66,462 0.025,463 36.75,464 1.413,465 19.5,466 0.75,467 17.25,468 0.663,469 17.476,470 0.672,471 28.267,472 0.642,473 28.786,474 1.107,475 7.718,476 0.297,477 4.794,478 0.184,479 0.179,481 0.377,485 0.93,486 1.248,487 0.746,488 1.09,489 0.889,490 0.895,491 1.065,492 0.763,493 0.76,494 0.762,495 0.64,496 0.715,497 1.081,498 1.283,499 0.933,500 1.184,501 0.871,502 1.041,503 1.128,504 1.157,505 1.108,506 1.21,507 1.24,508 1.175,509 0.817,510 1.13,511 1.014,512 1.184,513 1.064,514 1.147,515 1.351,516 0.71,517 1.143,518 0.846,519 1.684,520 0.929,521 1.715,522 0.796,523 1.192,524 0.814,525 1.576,526 0.893,527 0.611,528 1.004,529 0.884,530 1.122,531 0.584,532 1.093,533 6,534 0.178,535 3.111,536 1.875,537 1.991,538 0.819,539 0.405,540 0.321,541 0.238,542 0.228,543 7892,544 25053,545 2.014,546 40.9,548 14,551 4,555 1.689,556 1.857,557 3.414,558 1.773,559 1,560 1,564 74.098,565 1.684,566 3.737,567 4.391,568 4.88,569 4.971,570 5.107,571 2.844,572 4.287,573 4.676,574 3.567,575 1159.31,576 8.089,577 14721.6,579 1,581 1,582 240.215,583 1.502,584 4.615,585 0.214,586 0.008,587 0.08,588 0.045,589 0.054,590 0.026,591 0.016,592 0.013,593 0.01,594 0.01,595 0.476,596 0.17,597 1,598 0.923,599 128.047,600 -0.127,601 -0.06,602 0.023,603 -0.04,604 -0.19,605 0.029,606 0.018,607 0.292,608 0.143,609 0.259,610 0.12,611 0.225,612 -0.168,613 -0.172,614 -0.091,615 -0.164,616 -0.082,617 -0.11,618 -0.005,619 -0.156,620 -0.17,621 -0.215,622 -0.043,623 -0.235,624 0.154,625 -0.172,626 -0.034,627 -0.202,628 0.052,629 -0.162,630 -0.133,631 0.18,632 -0.077,633 0.102,634 -0.203,635 0.043,636 -0.365,637 0.074,638 -0.158,639 0.193,640 -0.294,641 0.081,642 0.205,643 -0.013,644 0.04,645 -0.092,646 0.304,647 -0.081,648 2.192,649 5.417,650 0.615,651 21.846,652 1.02,653 1.13,654 2.47,655 6.102,656 0.663,657 3.367,658 3.689,659 3.951,660 4.19,661 4.419,662 4.407,663 4.407,664 4.419,665 4.511,666 4.522,667 6.486,668 0.651,669 354.4,670 3.367,671 4.905,672 5.753,673 6.629,674 7.494,675 8.373,676 9.242,677 10.121,678 10.992,679 11.871,680 9.1,684 2,690 2,694 2,695 6,696 2,700 6,702 17,710 1,711 2,716 2,718 44,719 18,720 2,721 28,723 46,724 18,725 14,726 6,727 6,728 1,729 3,730 4,741 15,742 3,744 1,748 1,751 1,753 1,754 1,757 18,758 8,759 4,760 8,764 4,769 0.667,770 4,776 1,781 3,785 1,802 2,806 2,810 26,811 2,816 1,818 3,829 9.1,832 1,834 3,836 14,837 8.483,838 5.861,839 2.214,840 3.348,841 1.465,842 0.972,843 5.326,844 10.541,845 3.651,846 4.29,847 4.903,848 5.494,849 6.076,850 6.291,851 6.567,852 6.827,853 7.179,854 7.148,855 1,856 42,857 9.542,859 3.989,860 7.962,861 17.581,863 13.705,865 2.462,866 64,869 1,870 164.795,871 116.209,872 99.365,874 58.145,877 116.209,878 222.94,879 99.365,880 21.766,881 4.592,882 122.652,883 65.907,884 54.575,885 4.227,886 164.795,888 164.795,889 215.575,890 58.145,893 164.795,894 58.145,897 8.636,898 173.368,899 33.571,901 164.795,902 157.51,903 116.209,906 164.795,907 37.586,908 78.624,910 157.51,911 164.795,912 157.51,913 116.209,915 0.579,916 0.349,917 0.188,918 0.106,919 18,920 9,921 0.13,922 6,923 1,924 1.125,925 3.734,926 212.472,927 0.125,928 16,929 122.211,933 18.075,934 7.661,935 3.937,936 1.27,937 157.51,938 10.209,939 8.044,943 2.346,945 65.794,946 438.515,947 37.5,951 12.417,954 -0.526,956 44.902,957 49.737,958 0.308,959 0.685,960 0.804,961 0.894,962 0.91,963 0.935,964 4.877,965 1.155,966 5.746,967 5.594,968 4.369,969 4.977,970 2.374,971 6.555,972 4.272,973 6.106,974 1.006,975 7.31,976 3.013,977 4.007,978 4.902,980 7.455,981 3.892,982 7.428,983 0.768,984 8.969,985 2.565,986 5.969,987 7.252,988 3.06,989 10.529,990 5.803,991 8.787,992 0.527,993 10.682,994 1.433,995 6.382,996 7.96,998 12.223,999 6.2,1000 10.173,1001 0.318,1002 12.429,1003 1.108,1004 7.832,1005 9.816,1006 4.023,1007 14.828,1008 7.616,1009 11.58,1010 -0.033,1011 14.201,1012 0.433,1013 8.611,1014 10.906,1016 16.873,1017 8.376,1018 13.003,1019 -0.442,1020 15.992,1021 -0.08,1022 9.857,1023 12.555,1024 5.08,1025 19.305,1026 9.595,1027 3.08,1028 -0.509,1029 17.797,1030 -0.89,1031 10.814,1032 13.843,1034 21.504,1035 10.53,1036 3.019,1037 10.175,1038 19.614,1039 -1.15,1040 11.978,1041 15.399,1042 6.163,1043 23.866,1044 11.669,1045 2.436,1046 10.019,1047 21.44,1048 4.491,1049 13.019,1050 16.788,1052 26.131,1053 12.686,1054 2.296,1055 6.923,1056 23.275,1057 4.017,1058 14.151,1059 18.303,1060 7.254,1061 28.465,1062 13.793,1063 2.073,1064 6.587,1065 25.116,1066 3.237,1067 15.232,1068 19.742,1070 30.757,1071 14.847,1072 2.008,1073 5.829,1074 26.963,1075 2.98,1076 16.352,1077 21.241,1078 8.346,1079 33.079,1080 15.941,1081 1.93,1082 5.789,1083 28.814,1084 2.811,1085 17.451,1086 22.705,1088 35.383,1089 17.013,1090 7749,1091 13930,1092 18.205,1093 29.171,1094 41.321,1095 43.309,1096 43.483,1097 41.15,1098 41.235,1099 55.311,1100 8.167,1101 118.935,1102 39.043,1103 5.418,1104 5.7,1105 6.071,1106 5.122,1107 5.08,1108 7.491,1109 3.455,1110 17.069,1111 4.99,1112 14.772,1113 1.476,1114 1.547,1115 1.553,1116 1.47,1117 1.473,1118 1.975,1119 0.292,1120 4.248,1121 1.394,1122 4.071,1123 4.103,1124 4.04,1125 3.981,1126 7.433,1127 3.991,1128 3.933,1129 3.942,1130 3.896,1131 3.843,1132 5.308,1133 3.852,1134 3.551,1135 3.601,1136 3.487,1137 3.348,1138 4.982,1139 3.377,1140 3.347,1141 3.38,1142 3.273,1143 3.081,1144 4.904,1145 3.122,1146 3.276,1147 3.31,1148 3.145,1149 2.993,1150 4.709,1151 3.017,1152 3.14,1153 3.237,1154 3.023,1155 2.914,1156 4.601,1157 2.927,1158 3.128,1159 3.222,1160 2.897,1161 2.863,1162 4.388,1163 2.853,1164 2.977,1165 3.036,1166 2.842,1167 2.772,1168 4.132,1169 2.784,1170 0.162,1171 0.132,1172 0.232,1173 0.145,1174 0.11,1175 4.541,1176 0.16,1177 3.7,1178 0.062,1179 6.502,1180 0.363,1181 4.05,1182 0.107,1183 3.08,1184 4.491,1185 1.727,1186 10.175,1187 2.99,1188 2.016,1189 1.991,1190 2.083,1191 2.127,1192 1.22,1193 2.113,1194 1.884,1195 1.874,1196 1.967,1197 1.999,1198 1.072,1199 1.985,1200 1.462,1201 1.414,1202 1.605,1203 1.703,1204 0.699,1205 1.679,1206 1.246,1207 1.2,1208 1.592,1209 1.571,1210 0.587,1211 1.573,1212 1.17,1213 1.126,1214 1.539,1215 1.482,1216 0.558,1217 1.488,1218 1.117,1219 1.031,1220 1.36,1221 1.4,1222 0.337,1223 1.397,1224 1.049,1225 0.981,1226 1.29,1227 1.386,1228 0.231,1229 1.371,1230 0.939,1231 0.865,1232 1.177,1233 1.167,1234 0.095,1235 1.169,1236 4.043,1238 5.361,1240 6.882,1242 8.499,1244 10.166,1246 3.002,1250 11.456,1252 0.055,1254 15.726,1262 28.632,1263 74.098,1264 164.441,1265 193.195,1266 214.705,1267 218.705,1268 224.705,1269 46.411,1270 7.194,1271 122.58,1272 122.58,1273 18,1274 12.409,1275 4.248,1276 3.392,1277 44.491,1278 104,1279 90,1280 0.213,1281 178.068,1282 305.58,1283 426.246,1284 12836,1286 18.681,1287 0.719,1288 0.552,1289 18.681,1290 14.353,1291 12.512,1292 0.447,1293 0.276,1294 7.543,1295 11.807,1296 7.325,1297 6.121,1298 12.512,1299 7.723,1300 11.131,1301 0.285,1302 0.14,1303 11.131,1304 5.461,1305 9.386,1306 0.184,1307 0.075,1308 9.386,1309 3.803,1310 7.68,1311 0.118,1312 0.039,1313 7.68,1314 2.508,1315 6.252,1316 0.076,1317 0.02,1318 6.252,1319 1.656,1320 0.337,1321 80.18,1322 0.234,1323 25.184,1324 0.574,1325 134,1326 472.857,1327 152.008,1328 444.986,1329 600.9,1330 416,1331 157,1332 435.506,1333 173.958,1334 441.602,1335 642.17,1336 410,1337 6.377}
{0 CHEMBL79243,1 1.619,2 9.792,3 3.118,4 9.721,5 98.129,6 7.183,7 0.48,8 3.912,9 4.061,10 3.419,11 3.362,12 5.097,13 3.346,14 4.409,15 4.609,16 3.746,17 3.731,18 5.648,19 3.682,20 4.643,21 4.884,22 3.849,23 3.867,24 5.694,25 3.816,26 4.699,27 4.911,28 3.92,29 3.913,30 5.91,31 3.864,32 4.8,33 5.032,34 3.823,35 3.927,36 5.96,37 3.859,38 4.808,39 5.072,40 3.698,41 3.831,42 5.899,43 3.734,44 4.664,45 4.923,46 3.666,47 3.622,48 5.994,49 3.552,50 4.473,51 4.713,52 3.303,53 3.382,54 5.735,55 3.324,56 0.167,57 0.705,58 10.124,59 3.505,60 15.016,61 5.338,62 0.298,63 1.031,64 17.749,65 6.343,66 53.86,67 9.383,68 0.283,69 1.213,70 23.41,71 6.884,72 34.781,73 11.148,74 0.383,75 1.273,76 24.43,77 7.334,78 50.791,79 11.521,80 0.43,81 1.304,82 27.861,83 7.237,84 68.118,85 11.899,86 0.504,87 1.176,88 29.264,89 7.895,90 74.587,91 12.598,92 0.68,93 0.957,94 25.79,95 6.549,96 101.939,97 10.508,98 0.507,99 0.748,100 21.546,101 4.733,102 77.835,103 7.487,104 49,105 34,106 0.28,107 0.623,108 0.796,109 0.867,110 0.867,111 0.867,112 3.229,113 0.95,114 -4.35,115 -4.28,116 -4.04,119 34.8,120 2,121 3,125 1,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 7,169 2,170 4,172 3,173 3,175 3,178 6,180 1,182 7,185 1,187 4,189 4,191 1,193 11,195 1,196 3,197 1,198 7,200 2,201 4,204 5,205 1,207 8,212 5,215 6,218 4,220 2,221 4,223 1,224 1,226 2,229 5,231 2,233 4,234 6,236 2,237 4,238 1,239 2,240 1,241 4,243 1,246 4,248 1,249 1,251 1,254 2,260 2,262 2,263 2,264 1,265 1,267 1,268 2,270 1,273 808,274 15.93,275 15.93,276 15.93,277 15.93,278 15.93,279 14.136,280 20.777,281 9.539,282 16.225,283 12.226,284 12.226,285 12.226,286 12.226,287 12.226,288 9.455,289 28.02,290 4.364,291 12.703,292 3.905,293 1.922,294 0.919,295 0.511,296 0.511,297 0.511,298 3.887,300 1,301 1,302 1,303 475,304 3.391,307 166.395,314 1.642,315 30.533,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 53,327 235,328 4.557,329 3.806,330 6.777,331 4.163,332 3.185,333 4.297,334 2.612,335 11.103,336 3.116,337 4.339,338 3.232,339 6.402,340 3.889,341 2.926,342 4.023,343 0.4,344 9.753,345 2.817,346 3.707,347 2.735,348 5.326,349 3.231,350 2.292,351 3.173,353 6.703,354 2.153,355 3.5,356 2.361,357 5.038,358 2.978,359 2.018,360 2.84,362 5.704,363 1.934,364 3.3,365 2.224,366 4.918,367 2.934,368 1.986,369 2.549,371 5.351,372 1.878,373 3.126,374 1.927,375 4.77,376 2.734,377 1.782,378 2.338,380 5.001,381 1.692,382 2.652,383 1.674,384 3.672,385 2.547,386 1.558,387 1.646,389 3.078,390 1.538,391 2.595,392 1.345,393 3.58,394 2,395 1,396 1.59,398 2.424,399 1,400 1.9,401 1,402 3.335,403 1.761,404 0.797,405 0.853,407 1.497,408 0.767,409 1.684,410 0.945,411 2.891,412 1.518,413 0.536,414 0.598,415 0.949,416 0.526,417 1.334,418 0.646,419 2.729,420 1.071,421 0.112,422 0.13,423 0.212,424 0.107,425 1.044,426 0.221,427 2.426,428 0.757,429 -0.2,430 -0.232,431 -0.411,432 -0.191,433 1,434 -0.044,435 2.276,436 0.439,437 -0.478,438 -0.587,439 -1.146,440 -0.437,441 0.825,442 -0.305,443 2.215,444 0.314,445 -0.656,446 -0.77,448 -1.353,449 -0.635,450 0.655,451 -0.479,452 1.895,453 0.162,454 -0.816,455 -1.009,457 -2,458 -0.792,459 11.067,460 0.461,461 0.613,462 0.026,463 31.75,464 1.323,465 16.5,466 0.688,467 15.25,468 0.635,469 18.896,470 0.787,471 27.333,472 0.594,473 24.186,474 1.008,475 5.904,476 0.246,477 5.569,478 0.232,479 0.223,481 0.352,485 0.633,486 1.322,487 0.857,488 1.077,489 0.701,490 1.005,491 0.414,492 1.129,493 0.731,494 1.108,495 0.321,496 0.997,497 0.743,498 1.097,499 0.758,500 0.923,501 0.537,502 0.839,503 0.838,504 1.266,505 0.926,506 1.174,507 0.78,508 1.08,509 1.259,510 1.179,511 1.19,512 1.133,513 1.175,514 1.132,515 1.097,516 0.984,517 1.017,518 1.038,519 1.216,520 1.02,521 0.925,522 0.903,523 0.884,524 0.983,525 1.1,526 0.947,527 2.075,528 0.935,529 1.348,530 0.965,531 2.235,532 1.036,533 5,534 0.07,535 2.667,536 2.313,537 1.578,538 1.028,539 0.831,540 0.411,541 0.238,542 0.086,543 5273,544 15107,545 1.925,546 47.8,547 8,548 5,551 5,552 2,553 2,555 1.674,556 1.756,557 3.21,558 2.702,559 1,560 1,564 74.467,565 1.619,566 3.601,567 4.605,568 5.012,569 5.012,570 5.012,571 2.757,572 4.418,573 4.549,574 3.37,575 930.08,576 7.882,577 10751.5,579 1,581 1,582 254.084,583 1.555,584 4.483,585 0.2,586 0.008,587 0.078,588 0.061,589 0.04,590 0.03,591 0.029,592 0.015,593 0.013,594 0.007,595 0.482,597 1,598 1.639,599 113.009,600 0.104,601 0.034,602 0.015,603 0.087,604 -0.076,605 0.043,606 0.299,607 0.041,608 0.169,609 0.02,610 0.31,611 0.06,612 -0.01,613 -0.012,614 0.175,615 0.117,616 0.037,617 0.178,618 0.066,619 -0.146,620 0.012,621 -0.122,622 0.071,623 -0.075,624 -0.247,625 -0.107,626 -0.225,627 -0.149,628 -0.169,629 -0.169,630 -0.065,631 -0.047,632 -0.027,633 -0.073,634 -0.139,635 -0.048,636 0.329,637 0.002,638 0.144,639 -0.058,640 0.23,641 -0.006,642 -0.404,643 -0.047,644 -0.276,645 -0.079,646 -0.322,647 -0.146,648 2.405,649 4.415,650 0.5,651 20.833,652 1.007,653 1.146,654 3.116,655 9.712,656 0.631,657 3.258,658 3.555,659 3.807,660 4.078,661 4.263,662 4.331,663 4.407,664 4.394,665 4.394,666 4.248,667 5.652,668 0.604,669 330.44,670 3.258,671 4.779,672 5.617,673 6.497,674 7.362,675 8.252,676 9.129,677 10.023,678 10.905,679 11.801,680 13,684 2,685 1,690 2,691 1,695 3,696 2,700 7,702 12,711 2,712 1,713 1,718 46,719 14,720 1,721 25,723 47,724 16,725 10,726 3,727 3,729 2,730 2,734 2,739 3,741 10,742 6,744 2,746 1,748 2,753 1,754 1,757 22,758 7,759 5,760 8,764 6,769 1,770 2,776 1,781 2,802 2,806 2,810 24,811 2,816 4,817 1,829 4.3,835 2,836 13.667,837 8.6,838 5.556,839 2.99,840 2.482,841 1.372,842 0.948,843 6.067,844 9.147,845 3.526,846 4.127,847 4.677,848 5.273,849 5.805,850 6.109,851 6.48,852 6.75,853 7.074,854 7.221,855 0.857,856 38,857 8.845,859 3.661,860 8.007,861 16.474,863 12.863,865 2.507,866 60.167,869 1,870 200.109,871 74.657,872 123.046,874 50.747,877 74.657,878 250.856,879 123.046,880 23.32,881 9.709,882 94.223,883 51.582,884 14.641,885 4.227,886 200.109,887 50.747,888 200.109,889 197.703,890 50.747,893 176.567,894 23.542,895 50.747,897 32.016,898 108.436,899 57.252,901 200.109,902 173.793,903 74.657,906 200.109,907 28.578,908 51.749,909 18.011,910 150.112,911 200.109,912 173.793,913 74.657,915 0.567,916 0.334,917 0.189,918 0.104,919 14,920 8,921 0.149,922 7,924 1,925 3.412,926 187.638,928 12,929 108.039,933 18.11,934 8.04,935 4.203,937 168.123,938 4.975,939 8.163,943 2.681,945 83.805,946 448.559,947 33,949 -0.405,951 22.829,956 46.334,957 52.73,958 0.293,959 0.652,960 0.834,961 0.907,962 0.907,963 0.907,964 4.745,965 1,966 5.609,967 3.078,968 4.234,969 4.812,970 2.527,971 6.438,972 4.161,973 5.965,974 0.797,975 7.183,976 2.424,977 3.892,978 4.783,979 2.361,980 7.42,981 3.78,982 7.288,983 0.536,984 8.862,985 1.497,986 5.832,987 7.051,988 4.155,989 10.534,990 5.693,991 8.651,992 0.112,993 10.602,994 0.949,995 6.293,996 7.803,997 4.506,998 12.348,999 6.128,1000 10.044,1001 -0.2,1002 12.382,1003 0.212,1004 7.736,1005 9.591,1006 5.948,1007 14.992,1008 7.545,1009 11.46,1010 -0.478,1011 14.189,1012 -0.411,1013 8.571,1014 10.696,1015 6.556,1016 17.147,1017 8.36,1018 12.894,1019 -0.656,1020 16.016,1021 -1.146,1022 9.822,1023 12.293,1024 7.794,1025 19.626,1026 9.587,1027 3.185,1028 -0.816,1029 17.859,1030 -1.353,1031 10.829,1032 13.567,1033 8.548,1034 21.919,1035 10.574,1036 2.926,1037 11.103,1038 19.714,1039 -2,1040 12.007,1041 15.08,1042 9.67,1043 24.338,1044 11.73,1045 2.292,1046 9.753,1047 21.578,1048 4.297,1049 13.089,1050 16.437,1051 10.509,1052 26.688,1053 12.792,1054 2.018,1055 6.703,1056 23.449,1057 4.023,1058 14.24,1059 17.912,1060 11.563,1061 29.087,1062 13.922,1063 1.986,1064 5.704,1065 25.327,1066 3.173,1067 15.356,1068 19.31,1069 12.452,1070 31.461,1071 15.016,1072 1.782,1073 5.351,1074 27.209,1075 2.84,1076 16.499,1077 20.767,1078 13.468,1079 33.855,1080 16.139,1081 1.558,1082 5.001,1083 29.094,1084 2.549,1085 17.629,1086 22.187,1087 14.386,1088 36.241,1089 17.248,1090 5519,1091 9521,1092 15.72,1093 29.034,1094 36.352,1095 37.912,1096 39.037,1097 36.446,1098 36.386,1099 48.073,1100 6.025,1101 103.551,1102 35.052,1103 5.404,1104 5.806,1105 6.686,1106 5.233,1107 5.185,1108 7.297,1109 4.612,1110 17.995,1111 5.116,1112 15.118,1113 1.454,1114 1.516,1115 1.561,1116 1.458,1117 1.455,1118 1.923,1119 0.241,1120 4.142,1121 1.402,1122 4.055,1123 4.086,1124 4.025,1125 3.946,1126 7.815,1127 3.957,1128 3.833,1129 3.884,1130 3.804,1131 3.648,1132 6.999,1133 3.673,1134 3.667,1135 3.738,1136 3.507,1137 3.513,1138 5.285,1139 3.495,1140 3.461,1141 3.497,1142 3.408,1143 3.196,1144 4.98,1145 3.19,1146 3.39,1147 3.478,1148 3.204,1149 3.036,1150 4.698,1151 3.124,1152 3.233,1153 3.332,1154 3.063,1155 3.001,1156 4.418,1157 3.005,1158 3.07,1159 3.191,1160 2.906,1161 2.801,1162 4.199,1163 2.812,1164 2.854,1165 2.955,1166 2.668,1167 2.599,1168 3.966,1169 2.615,1170 0.182,1171 0.152,1172 0.271,1173 0.167,1174 0.127,1175 4.557,1176 0.172,1177 3.806,1178 0.104,1179 6.777,1180 0.444,1181 4.163,1182 0.125,1183 3.185,1184 4.297,1185 2.612,1186 11.103,1187 3.116,1188 1.98,1189 1.955,1190 2.057,1191 2.122,1192 1.268,1193 2.093,1194 1.751,1195 1.701,1196 1.964,1197 1.965,1198 1.192,1199 1.942,1200 1.662,1201 1.596,1202 1.868,1203 1.865,1204 1.024,1205 1.874,1206 1.386,1207 1.302,1208 1.636,1209 1.648,1210 0.75,1211 1.659,1212 1.223,1213 1.152,1214 1.56,1215 1.623,1216 0.6,1217 1.554,1218 1.185,1219 1.127,1220 1.287,1221 1.485,1222 0.25,1223 1.502,1224 0.984,1225 0.893,1226 1.258,1227 1.36,1228 0.213,1229 1.346,1230 0.819,1231 0.714,1232 1.151,1233 1.115,1234 0.129,1235 1.137,1236 3.932,1238 5.231,1240 6.737,1242 8.351,1244 10.025,1246 3.981,1250 11.607,1252 3.232,1253 3.102,1262 27.772,1263 74.467,1264 165.661,1265 211.819,1266 230.574,1267 230.574,1268 230.574,1269 58.509,1270 6.664,1271 135.67,1272 135.67,1273 12,1274 12.329,1275 3.907,1276 3.17,1277 48.195,1278 80,1279 102,1280 0.305,1281 177.728,1282 303.94,1283 425.415,1284 5607,1286 17.69,1287 0.737,1288 0.578,1289 17.69,1290 13.873,1291 11.473,1292 0.459,1293 0.317,1294 7.807,1295 10.955,1296 7.603,1297 6.421,1298 11.473,1299 7.92,1300 10.036,1301 0.295,1302 0.159,1303 10.036,1304 5.412,1305 7.873,1306 0.179,1307 0.084,1308 7.873,1309 3.693,1310 6.798,1311 0.117,1312 0.043,1313 6.798,1314 2.504,1315 5.214,1316 0.074,1317 0.023,1318 5.214,1319 1.624,1320 0.466,1321 72.583,1322 0.252,1323 23.152,1324 0.871,1325 118,1326 377.364,1327 132.281,1328 368.129,1329 494.61,1330 338,1331 137,1332 373.379,1333 150.507,1334 372.041,1335 538.63,1336 349,1337 6.77}
{0 CHEMBL79279,1 1.656,2 9.2,3 1.564,4 2.446,5 99.246,6 7.466,7 0.444,8 3.942,9 4.09,10 3.495,11 3.379,12 5.115,13 3.381,14 4.463,15 4.661,16 3.85,17 3.78,18 5.69,19 3.755,20 4.71,21 4.942,22 3.946,23 3.959,24 5.743,25 3.915,26 4.766,27 4.969,28 4.006,29 4.02,30 5.927,31 3.967,32 4.88,33 5.104,34 3.956,35 4.025,36 6.032,37 3.964,38 4.924,39 5.187,40 3.793,41 3.876,42 6.058,43 3.794,44 4.671,45 4.934,46 3.673,47 3.556,48 6.05,49 3.507,50 4.295,51 4.508,52 3.367,53 3.333,54 5.537,55 3.31,56 0.182,57 0.739,58 9.827,59 3.275,60 15.318,61 5.042,62 0.374,63 1.115,64 18.147,65 5.915,66 54.084,67 8.947,68 0.392,69 1.331,70 24.365,71 7.223,72 34.369,73 11.414,74 0.406,75 1.394,76 24.998,77 8.367,78 44.819,79 12.591,80 0.452,81 1.428,82 29.085,83 8.111,84 64.175,85 12.93,86 0.729,87 1.235,88 33.479,89 8.368,90 98.849,91 13.256,92 0.904,93 0.896,94 26.845,95 6.076,96 122.124,97 9.851,98 0.421,99 0.712,100 17.123,101 4.037,102 59.705,103 6.192,104 30,105 38,106 0.285,107 0.625,108 0.766,109 0.829,110 0.829,111 0.829,112 3.268,113 0.908,114 -3.61,115 -3.58,116 -3.41,119 34.8,120 1,121 1,125 4,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 5,172 3,173 3,175 1,178 5,180 1,181 1,182 9,185 1,187 1,189 4,191 1,192 2,193 12,195 1,196 1,197 1,198 5,200 2,201 3,204 5,205 1,207 8,212 5,215 3,218 4,220 2,221 1,223 1,224 2,226 4,229 1,231 2,233 6,234 4,236 3,237 5,239 2,243 1,246 3,248 1,249 1,251 1,262 3,263 3,273 821,274 16.715,275 16.715,276 16.715,277 16.715,278 16.715,279 14.945,280 24.786,281 9.785,282 17.129,283 13.255,284 13.255,285 13.255,286 13.255,287 13.255,288 10.511,289 34.056,290 4.523,291 13.918,292 3.867,293 1.896,294 1.076,295 0.712,296 0.712,297 0.712,298 3.945,300 1,301 1,302 1,303 485,304 2.828,307 247.099,314 1.408,315 31.786,317 1,318 1,319 0.83,320 1,321 0.8,322 0.5,323 1,324 1,325 0.88,326 55.5,327 230,328 4.57,329 3.815,330 6.791,331 4.18,332 3.205,333 4.306,334 2.612,335 11.156,336 3.127,337 4.377,338 3.236,339 6.614,340 3.978,341 3.022,342 4.042,343 0.8,344 10.507,345 2.888,346 3.725,347 3.083,348 5.609,349 3.365,350 2.427,351 3.179,352 0.4,353 7.271,354 2.271,355 3.68,356 2.454,357 5.311,358 3.213,359 2.272,360 2.971,362 6.58,363 2.139,364 3.306,365 2.236,366 5.038,367 2.936,368 1.988,369 2.553,371 5.703,372 1.88,373 3.231,374 2.154,375 4.774,376 2.79,377 1.835,378 2.452,380 5.01,381 1.745,382 2.909,383 1.869,384 4.404,385 2.62,386 1.669,387 1.966,389 4.127,390 1.583,391 2.607,392 1.565,393 3.631,394 2.071,395 1.135,396 1.596,398 2.682,399 1.059,400 2.27,401 1.217,402 3.509,403 2,404 1,405 1.251,407 2.422,408 1,409 2,410 1.146,411 3.312,412 1.967,413 1,414 1,415 2.136,416 0.965,417 1.712,418 1,419 3.247,420 1.524,421 0.543,422 0.613,423 1.035,424 0.532,425 1.319,426 0.659,427 2.754,428 1.012,429 0.064,430 0.077,431 0.138,432 0.061,433 1,434 0.179,435 2.546,436 0.582,437 -0.373,438 -0.452,439 -0.955,440 -0.355,441 0.947,442 -0.136,443 2.389,444 0.437,445 -0.48,446 -0.588,448 -1.152,449 -0.438,450 0.823,451 -0.305,452 2.255,453 0.177,454 -0.808,455 -0.943,457 -1.902,458 -0.791,459 11.467,460 0.459,461 0.665,462 0.027,463 33.5,464 1.34,465 16.5,466 0.66,467 17,468 0.68,469 19.433,470 0.777,471 28.133,472 0.612,473 26.039,474 1.042,475 6.464,476 0.259,477 5.544,478 0.222,479 0.172,481 0.375,485 0.671,486 1.427,487 0.805,488 1.079,489 0.681,490 0.969,491 0.588,492 1.094,493 0.771,494 1,495 0.331,496 0.923,497 0.793,498 0.99,499 0.842,500 0.9,501 0.52,502 0.864,503 0.729,504 1.27,505 0.92,506 1.261,507 0.74,508 1.153,509 1.104,510 1.263,511 1.135,512 1.262,513 1.068,514 1.202,515 1.313,516 0.931,517 1.075,518 1.016,519 1.54,520 1.014,521 1.117,522 0.709,523 0.884,524 0.766,525 1.457,526 0.802,527 1.892,528 1.115,529 1.227,530 1.005,531 2.133,532 1.016,533 5,534 0.082,535 2.889,536 2.5,537 1.649,538 1.104,539 0.85,540 0.47,541 0.234,542 0.1,543 6201,544 17945,545 2.015,546 45.7,547 3,548 11,551 5,552 2,555 1.686,556 1.852,557 3.164,558 2.686,559 1,560 1,564 76.194,565 1.656,566 3.627,567 4.447,568 4.811,569 4.811,570 4.811,571 2.699,572 4.404,573 4.615,574 3.3,575 989.998,576 8.013,577 11603.5,579 1,581 1,582 254.084,583 1.516,584 4.555,585 0.185,586 0.008,587 0.076,588 0.06,589 0.038,590 0.028,591 0.027,592 0.017,593 0.011,594 0.006,595 0.457,596 0.17,597 1,598 0.942,599 118.308,600 0.074,601 -0.082,602 0.033,603 0.054,604 -0.067,605 0.039,606 0.181,607 0.092,608 0.12,609 0.082,610 0.278,611 0.09,612 -0.058,613 0.115,614 0.075,615 0.142,616 0.023,617 0.145,618 0.075,619 -0.153,620 -0.02,621 -0.16,622 0.054,623 -0.119,624 -0.186,625 -0.199,626 -0.198,627 -0.243,628 -0.13,629 -0.216,630 -0.123,631 -0.054,632 -0.049,633 -0.075,634 -0.204,635 -0.054,636 0.324,637 0.117,638 0.194,639 0.119,640 0.193,641 0.119,642 -0.374,643 -0.159,644 -0.197,645 -0.056,646 -0.321,647 -0.097,648 2.36,649 4.622,650 0.72,651 19.859,652 1.012,653 1.148,654 2.377,655 5.652,656 0.636,657 3.332,658 3.664,659 3.951,660 4.248,661 4.466,662 4.511,663 4.635,664 4.7,665 4.754,666 4.691,667 5.48,668 0.615,669 343.44,670 3.332,671 4.875,672 5.733,673 6.627,674 7.506,675 8.405,676 9.292,677 10.194,678 11.084,679 11.987,680 15.2,682 1,684 2,686 1,690 2,691 1,695 3,696 2,700 7,702 12,711 2,713 1,714 1,718 46,719 14,720 1,721 27,723 48,724 16,725 10,726 3,727 3,729 3,730 3,734 1,739 1,741 10,742 6,744 2,746 1,748 2,753 1,754 1,757 21,758 8,759 5,760 9,764 7,769 1,770 2,776 1,781 3,798 1,802 3,806 1,810 25,811 2,816 5,817 1,821 1,829 4.3,835 2,836 13.5,837 8.3,838 5.583,839 2.803,840 2.434,841 1.346,842 0.981,843 5.133,844 9.468,845 3.584,846 4.19,847 4.749,848 5.347,849 5.888,850 6.195,851 6.591,852 6.897,853 7.246,854 7.435,855 1,856 42,857 9.234,859 3.943,860 7.967,861 17.29,863 14.015,865 2.467,866 61.667,870 188.338,871 67.08,872 126.171,874 50.747,877 67.08,878 239.085,879 126.171,880 14.495,881 10.957,882 112.234,883 33.571,884 17.766,885 4.227,886 188.338,887 50.747,888 188.338,889 193.25,890 50.747,893 188.338,895 50.747,897 42.449,898 111.56,899 39.241,901 188.338,902 176.917,903 67.08,906 188.338,907 29.826,908 46.048,909 18.011,910 150.112,911 188.338,912 176.917,913 67.08,915 0.58,916 0.348,917 0.201,918 0.112,919 18,920 9,921 0.083,922 4,924 1,925 3.515,926 211.108,928 18,929 110.096,933 17.547,934 7.313,935 3.561,937 171.247,938 5.143,939 8.215,943 2.903,945 83.805,946 432.335,947 35,949 -0.36,951 23.244,956 46.552,957 52.813,958 0.3,959 0.657,960 0.805,961 0.871,962 0.871,963 0.871,964 4.828,965 1.135,966 5.733,967 4.127,968 4.344,969 4.875,970 2.601,971 6.581,972 4.254,973 6.044,974 1,975 7.317,976 2.682,977 4.007,978 4.832,979 2.396,980 7.579,981 3.876,982 7.368,983 1,984 9.003,985 2.422,986 5.964,987 7.095,988 4.163,989 10.708,990 5.795,991 8.729,992 0.543,993 10.751,994 2.136,995 6.431,996 7.844,997 4.51,998 12.541,999 6.234,1000 10.122,1001 0.064,1002 12.538,1003 1.035,1004 7.887,1005 9.627,1006 5.949,1007 15.195,1008 7.656,1009 11.538,1010 -0.373,1011 14.352,1012 0.138,1013 8.726,1014 10.733,1015 6.556,1016 17.366,1017 8.472,1018 12.972,1019 -0.48,1020 16.187,1021 -0.955,1022 9.987,1023 12.327,1024 7.794,1025 19.854,1026 9.702,1027 3.205,1028 -0.808,1029 18.036,1030 -1.152,1031 10.997,1032 13.603,1033 8.548,1034 22.159,1035 10.69,1036 3.022,1037 11.156,1038 19.898,1039 -1.902,1040 12.182,1041 15.115,1042 9.67,1043 24.588,1044 11.847,1045 2.427,1046 10.507,1047 21.768,1048 4.306,1049 13.268,1050 16.474,1051 10.509,1052 26.946,1053 12.91,1054 2.272,1055 7.271,1056 23.645,1057 4.042,1058 14.426,1059 17.949,1060 11.563,1061 29.353,1062 14.042,1063 1.988,1064 6.58,1065 25.528,1066 3.179,1067 15.547,1068 19.35,1069 12.452,1070 31.732,1071 15.139,1072 1.835,1073 5.703,1074 27.416,1075 2.971,1076 16.696,1077 20.808,1078 13.468,1079 34.131,1080 16.263,1081 1.669,1082 5.01,1083 29.307,1084 2.553,1085 17.832,1086 22.23,1087 14.386,1088 36.521,1089 17.374,1090 6159,1091 10624,1092 17.512,1093 29.279,1094 40.301,1095 41.864,1096 42.555,1097 40.379,1098 40.323,1099 52.008,1100 7.625,1101 117.533,1102 38.503,1103 5.57,1104 5.815,1105 6.593,1106 5.25,1107 5.205,1108 7.306,1109 4.612,1110 18.193,1111 5.127,1112 13.888,1113 1.493,1114 1.551,1115 1.576,1116 1.496,1117 1.493,1118 1.926,1119 0.282,1120 4.353,1121 1.426,1122 4.065,1123 4.099,1124 4.034,1125 3.953,1126 7.815,1127 3.965,1128 3.849,1129 3.907,1130 3.813,1131 3.667,1132 6.999,1133 3.691,1134 3.72,1135 3.786,1136 3.613,1137 3.503,1138 5.285,1139 3.512,1140 3.454,1141 3.494,1142 3.406,1143 3.194,1144 4.98,1145 3.189,1146 3.389,1147 3.471,1148 3.204,1149 3.031,1150 4.686,1151 3.124,1152 3.111,1153 3.211,1154 2.987,1155 2.941,1156 4.428,1157 2.91,1158 3.099,1159 3.206,1160 2.866,1161 2.844,1162 4.331,1163 2.868,1164 2.952,1165 3.064,1166 2.802,1167 2.635,1168 3.966,1169 2.664,1170 0.169,1171 0.141,1172 0.252,1173 0.155,1174 0.119,1175 4.57,1176 0.159,1177 3.815,1178 0.097,1179 6.791,1180 0.413,1181 4.18,1182 0.116,1183 3.205,1184 4.306,1185 2.612,1186 11.156,1187 3.127,1188 1.987,1189 1.961,1190 2.066,1191 2.133,1192 1.289,1193 2.107,1194 1.776,1195 1.721,1196 1.947,1197 1.987,1198 1.169,1199 1.973,1200 1.645,1201 1.579,1202 1.841,1203 1.904,1204 1.005,1205 1.865,1206 1.384,1207 1.3,1208 1.621,1209 1.643,1210 0.825,1211 1.658,1212 1.186,1213 1.152,1214 1.513,1215 1.608,1216 0.615,1217 1.527,1218 1.153,1219 1.064,1220 1.288,1221 1.376,1222 0.339,1223 1.429,1224 1.005,1225 0.922,1226 1.259,1227 1.37,1228 0.213,1229 1.352,1230 0.868,1231 0.752,1232 1.186,1233 1.214,1234 0.128,1235 1.213,1236 4.007,1238 5.333,1240 6.868,1242 8.502,1244 10.189,1246 1.925,1250 11.676,1252 3.663,1253 3.242,1257 2.016,1262 28.267,1263 76.194,1264 166.859,1265 204.574,1266 221.329,1267 221.329,1268 221.329,1269 50.301,1270 7.034,1271 138.91,1272 138.91,1273 18,1274 12.509,1275 3.907,1276 3.17,1277 41.502,1278 83,1279 79,1280 0.255,1281 177.128,1282 302.58,1283 423.953,1284 9135,1286 17.974,1287 0.719,1288 0.561,1289 17.974,1290 14.028,1291 12.007,1292 0.445,1293 0.303,1294 8.027,1295 11.382,1296 7.877,1297 6.527,1298 12.007,1299 8.172,1300 10.842,1301 0.285,1302 0.154,1303 10.842,1304 5.84,1305 8.857,1306 0.174,1307 0.084,1308 8.857,1309 4.283,1310 7.842,1311 0.114,1312 0.045,1313 7.842,1314 3.115,1315 6.293,1316 0.073,1317 0.025,1318 6.293,1319 2.119,1320 0.387,1321 76.411,1322 0.239,1323 23.753,1324 0.741,1325 130,1326 409.009,1327 146.362,1328 396.526,1329 536.33,1330 366,1331 154,1332 405.633,1333 170.06,1334 403.311,1335 587.98,1336 379,1337 5.509}
{0 CHEMBL79281,1 1.459,2 9.095,3 0.319,4 0.102,5 89.581,6 6.843,7 0.545,8 3.823,9 3.997,10 3.279,11 3.257,12 4.988,13 3.24,14 4.286,15 4.5,16 3.607,17 3.624,18 5.382,19 3.569,20 4.52,21 4.766,22 3.707,23 3.766,24 5.565,25 3.703,26 4.562,27 4.79,28 3.709,29 3.822,30 5.649,31 3.741,32 4.678,33 4.929,34 3.604,35 3.839,36 5.729,37 3.725,38 4.711,39 5.016,40 3.418,41 3.708,42 5.729,43 3.546,44 4.515,45 4.846,46 3.065,47 3.418,48 5.437,49 3.237,50 4.17,51 4.495,52 2.8,53 3.106,54 5.045,55 2.941,56 0.087,57 0.659,58 9.904,59 2.783,60 15.687,61 4.785,62 0.181,63 0.947,64 16.112,65 5.324,66 23.773,67 8.376,68 0.242,69 1.106,70 20.953,71 5.809,72 28.388,73 9.926,74 0.204,75 1.162,76 21.533,77 6.392,78 31.533,79 10.674,80 0.237,81 1.183,82 24.645,83 6.55,84 42.209,85 11.556,86 0.351,87 1.033,88 26.377,89 6.992,90 60.274,91 12.119,92 0.348,93 0.772,94 22.15,95 5.242,96 48.012,97 9.505,98 0.203,99 0.56,100 15.501,101 3.675,102 29.396,103 6.761,104 32,105 30,106 0.26,107 0.624,108 0.803,109 0.881,110 0.881,111 0.881,112 3.103,113 0.93,114 -2.49,115 -2.52,116 -2.46,119 33.3,120 1,121 1,125 2,139 3,140 2,141 2,143 1,144 1,147 1,157 4,158 4,159 4,166 5,169 1,170 3,172 3,173 3,175 3,178 5,180 2,182 3,186 2,187 5,188 2,189 4,191 3,193 5,195 1,196 1,197 1,198 8,200 2,201 3,204 7,205 1,207 3,212 6,215 3,218 5,223 2,224 2,225 2,226 5,228 4,229 1,231 5,232 2,237 2,238 1,239 4,240 1,243 3,250 1,251 2,253 2,256 1,258 1,264 1,267 1,273 560,274 14.016,275 14.016,276 14.016,277 14.016,278 14.016,279 12.474,280 18.523,281 8.355,282 14.294,283 10.742,284 10.742,285 10.742,286 10.742,287 10.742,288 8.374,289 24.876,290 3.806,291 11.219,292 3.933,293 1.889,294 0.881,295 0.447,296 0.447,297 0.447,298 3.759,301 1,302 1,303 388,304 2.739,307 140.564,314 1.528,315 20.211,318 0.75,319 0.83,320 0.83,321 0.9,322 1,323 0.67,324 0.5,325 0.78,326 45.5,327 191,328 4.532,329 3.249,330 6.769,331 4.147,332 3.17,333 4.253,334 0.4,335 11.071,336 3.101,337 4.16,338 2.922,339 6.042,340 3.753,341 2.788,342 3.782,344 8.641,345 2.69,346 3.623,347 2.365,348 5.315,349 3.206,350 2.271,351 2.999,353 6.669,354 2.125,355 3.301,356 2.224,357 5.038,358 2.934,359 1.986,360 2.549,362 5.704,363 1.878,364 3.126,365 1.946,366 4.774,367 2.729,368 1.782,369 2.345,371 5.027,372 1.681,373 2.867,374 1.741,375 4.207,376 2.531,377 1.573,378 1.995,380 3.832,381 1.504,382 2.472,383 1.435,384 3.474,385 2.284,386 1.312,387 1.47,389 2.609,390 1.273,391 1.778,392 0.801,393 3.299,394 1.589,395 0.619,396 0.692,398 1.215,399 0.599,400 1.54,401 0.575,402 2.762,403 1.345,404 0.396,405 0.439,407 0.646,408 0.375,409 1.24,410 0.147,411 2.624,412 0.937,417 0.948,418 -0.05,419 2.412,420 0.668,421 -0.27,422 -0.314,423 -0.551,424 -0.253,425 0.826,426 -0.305,427 2.258,428 0.439,429 -0.478,430 -0.587,431 -1.148,432 -0.437,433 0.67,434 -0.569,435 2.104,436 0.268,437 -0.699,438 -0.871,439 -1.71,440 -0.673,441 0.233,442 -0.722,443 1.746,444 0.026,445 -0.92,446 -1.042,448 -1.99,449 -0.871,450 -0.008,451 -1.054,452 1.453,453 -0.219,454 -1.183,455 -1.361,457 -2.534,458 -1.14,459 9.8,460 0.467,461 0.524,462 0.025,463 27.5,464 1.31,465 14,466 0.667,467 13.5,468 0.643,469 15.4,470 0.733,471 23.8,472 0.567,473 19.826,474 0.944,475 5.392,476 0.257,477 4.67,478 0.222,479 0.214,481 0.357,485 1.382,486 1.298,487 0.992,488 0.969,489 1.513,490 0.925,491 0.621,492 1.124,493 0.794,494 1.075,495 0.543,496 0.977,497 1.014,498 1.045,499 0.876,500 0.903,501 0.828,502 0.873,503 0.951,504 1.282,505 1.044,506 1.23,507 0.798,508 1.162,509 1.213,510 1.303,511 1.242,512 1.292,513 1.263,514 1.275,515 0.819,516 0.996,517 0.999,518 1.089,519 0.896,520 1.075,521 0.985,522 0.783,523 0.993,524 0.875,525 1.174,526 0.928,527 0.972,528 0.922,529 0.938,530 0.912,531 0.84,532 0.918,533 4.5,534 0.054,535 2.444,536 2.063,537 1.418,538 0.847,539 0.545,540 0.24,541 0.127,542 0.086,543 3726,544 9832,545 1.941,546 50,547 3,548 7,551 9,552 2,555 1.634,556 1.775,557 3.108,558 6.825,560 1,564 61.284,565 1.459,566 3.504,567 4.511,568 4.946,569 4.946,570 4.946,571 2.743,572 4.202,573 4.356,574 3.254,575 683.299,576 7.481,577 7122.19,579 1,582 226.477,583 1.545,584 4.294,585 0.205,586 0.008,587 0.081,588 0.063,589 0.044,590 0.031,591 0.026,592 0.017,593 0.012,594 0.01,595 0.496,596 0.33,597 1,598 1.444,599 94.141,600 -0.309,601 0.066,602 -0.032,603 0.168,604 -0.379,605 0.119,606 0.238,607 0.08,608 0.148,609 0.062,610 0.198,611 0.087,612 -0.036,613 0.069,614 0.092,615 0.144,616 -0.012,617 0.139,618 -0.043,619 -0.124,620 -0.095,621 -0.138,622 0.04,623 -0.127,624 -0.247,625 -0.215,626 -0.283,627 -0.262,628 -0.226,629 -0.276,630 0.101,631 -0.093,632 -0.026,633 -0.131,634 0.102,635 -0.103,636 0.026,637 0.041,638 0.001,639 0.011,640 -0.102,641 0.003,642 -0.004,643 -0.09,644 0.049,645 -0.004,646 0.044,647 0.027,648 1.484,649 2.061,650 0.571,651 16.317,652 0.998,653 1.152,654 1.261,655 1.591,656 0.628,657 3.135,658 3.434,659 3.689,660 3.951,661 4.127,662 4.159,663 4.143,664 4.174,665 4.078,666 3.951,667 5.214,668 0.591,669 287.42,670 3.135,671 4.654,672 5.493,673 6.372,674 7.235,675 8.122,676 8.994,677 9.885,678 10.761,679 11.654,680 16.7,681 1,684 3,685 1,690 2,695 3,696 2,700 7,702 12,711 3,712 1,718 42,719 12,720 1,721 22,723 43,724 14,725 10,726 3,727 3,729 2,730 2,734 2,739 1,741 10,742 4,753 1,754 1,757 21,758 7,759 9,760 7,764 7,769 1,776 1,781 2,797 1,802 2,806 1,810 21,811 4,816 3,817 1,836 11.833,837 7.233,838 4.861,839 2.374,840 2.341,841 1.366,842 0.988,843 4.957,844 8.747,845 3.367,846 3.97,847 4.549,848 5.136,849 5.666,850 5.922,851 6.197,852 6.516,853 6.721,854 6.905,855 1,856 33,857 7.681,859 3.126,860 7.817,861 14.487,863 11.333,865 2.317,866 48.667,870 141.253,871 62.868,872 183.171,877 62.868,878 141.253,879 183.171,880 8.825,881 39.643,882 127.12,883 51.582,884 14.641,885 4.227,886 141.253,888 141.253,889 246.039,893 141.253,897 53.124,898 141.333,899 51.582,901 141.253,902 183.171,903 62.868,906 141.253,907 25.614,908 37.254,909 18.011,910 165.16,911 141.253,912 183.171,913 62.868,915 0.567,916 0.339,917 0.192,918 0.106,919 13,920 7,921 0.116,922 5,924 1,925 3.187,926 155.163,928 12,929 92.239,933 15.505,934 6.714,935 3.416,937 183.171,938 5.679,939 8.276,943 4.478,945 149.6,946 387.292,947 28,956 41.898,957 48.395,958 0.271,959 0.65,960 0.837,961 0.917,962 0.917,963 0.917,964 4.585,965 0.619,966 5.485,967 2.609,968 4.111,969 4.654,970 0.278,971 6.308,972 4.031,973 5.801,974 0.396,975 7.055,976 1.215,977 3.761,978 4.559,980 7.265,981 3.649,982 7.118,984 8.729,985 0.646,986 5.707,987 6.88,988 0.05,989 10.375,990 5.566,991 8.474,992 -0.27,993 10.461,995 6.155,996 7.56,998 12.162,999 5.993,1000 9.861,1001 -0.478,1002 12.233,1003 -0.551,1004 7.6,1005 9.394,1006 0.008,1007 14.806,1008 7.414,1009 11.27,1010 -0.699,1011 14.031,1012 -1.148,1013 8.423,1014 10.44,1016 16.949,1017 8.221,1018 12.696,1019 -0.92,1020 15.85,1021 -1.71,1022 9.673,1023 12.066,1024 0.001,1025 19.431,1026 9.449,1027 3.17,1028 -1.183,1029 17.684,1030 -1.99,1031 10.67,1032 13.297,1034 21.723,1035 10.429,1036 2.788,1037 11.071,1038 19.531,1039 -2.534,1040 11.845,1041 14.823,1043 24.149,1044 11.584,1045 2.271,1046 8.641,1047 21.389,1048 4.253,1049 12.919,1050 16.15,1052 26.504,1053 12.641,1054 1.986,1055 6.669,1056 23.255,1057 3.782,1058 14.068,1059 17.629,1061 28.911,1062 13.769,1063 1.782,1064 5.704,1065 25.128,1066 2.999,1067 15.178,1068 19.006,1070 31.292,1071 14.861,1072 1.573,1073 5.027,1074 27.006,1075 2.549,1076 16.319,1077 20.462,1079 33.694,1080 15.982,1081 1.312,1082 3.832,1083 28.89,1084 2.345,1085 17.446,1086 21.867,1088 36.087,1089 17.089,1090 3901,1091 6425,1092 13.929,1093 26.37,1094 31.886,1095 32.014,1096 34.269,1097 31.857,1098 31.792,1099 41.046,1100 0.8,1101 90.828,1102 30.451,1103 5.325,1104 5.249,1105 6.631,1106 5.217,1107 5.17,1108 7.253,1109 0.8,1110 17.961,1111 5.101,1112 12.544,1113 1.449,1114 1.455,1115 1.558,1116 1.448,1117 1.445,1118 1.866,1119 0.036,1120 4.129,1121 1.384,1122 4.019,1123 4.056,1124 3.982,1125 3.933,1126 5.288,1127 3.939,1128 3.785,1129 3.844,1130 3.734,1131 3.631,1132 5.103,1133 3.649,1134 3.54,1135 3.63,1136 3.376,1137 3.33,1138 5.005,1139 3.328,1140 3.392,1141 3.485,1142 3.204,1143 3.189,1144 4.978,1145 3.183,1146 3.128,1147 3.236,1148 3.016,1149 2.879,1150 4.542,1151 2.904,1152 3.02,1153 3.133,1154 2.859,1155 2.799,1156 4.387,1157 2.799,1158 2.957,1159 3.086,1160 2.783,1161 2.625,1162 4.015,1163 2.654,1164 2.772,1165 2.896,1166 2.551,1167 2.452,1168 3.964,1169 2.459,1170 0.206,1171 0.148,1172 0.308,1173 0.189,1174 0.144,1175 4.532,1176 0.193,1177 3.249,1178 0.018,1179 6.769,1180 0.503,1181 4.147,1182 0.141,1183 3.17,1184 4.253,1185 0.4,1186 11.071,1187 3.101,1188 1.967,1189 1.94,1190 2.047,1191 2.078,1192 1.201,1193 2.069,1194 1.729,1195 1.679,1196 1.889,1197 1.921,1198 1.064,1199 1.91,1200 1.512,1201 1.427,1202 1.785,1203 1.756,1204 0.963,1205 1.77,1206 1.38,1207 1.294,1208 1.62,1209 1.633,1210 0.603,1211 1.653,1212 1.039,1213 0.954,1214 1.293,1215 1.386,1216 0.215,1217 1.37,1218 0.972,1219 0.888,1220 1.265,1221 1.299,1222 0.188,1223 1.301,1224 0.87,1225 0.748,1226 1.218,1227 1.264,1228 0.122,1229 1.263,1230 0.724,1231 0.595,1232 1.113,1233 1.074,1234 0.019,1235 1.096,1236 3.807,1238 5.106,1240 6.616,1242 8.234,1244 9.907,1246 1.991,1250 23.169,1252 1.913,1253 3.161,1262 24.837,1263 61.284,1264 147.154,1265 189.458,1266 207.722,1267 207.722,1268 207.722,1269 36.15,1270 6.405,1271 141.89,1272 141.89,1273 12,1274 12.184,1275 3.7,1276 2.807,1277 39.206,1278 64,1279 81,1280 0.311,1281 160.272,1282 265.4,1283 382.824,1284 4044,1286 15.405,1287 0.734,1288 0.574,1289 15.405,1290 12.057,1291 10.062,1292 0.457,1293 0.31,1294 6.728,1295 9.709,1296 6.562,1297 5.514,1298 10.062,1299 6.821,1300 8.752,1301 0.292,1302 0.155,1303 8.752,1304 4.66,1305 7.065,1306 0.181,1307 0.081,1308 7.065,1309 3.164,1310 6.06,1311 0.119,1312 0.043,1313 6.06,1314 2.203,1315 4.618,1316 0.076,1317 0.023,1318 4.618,1319 1.428,1320 0.474,1321 62.863,1322 0.268,1323 20.618,1324 0.888,1325 104,1326 268.872,1327 113.825,1328 273.335,1329 380.07,1330 254,1331 121,1332 291.282,1333 130.048,1334 297.922,1335 433.71,1336 281,1337 4.602}
{0 CHEMBL79347,1 1.597,2 9.913,3 2.98,4 8.883,5 96.519,6 9.332,7 0.68,8 3.796,9 3.935,10 3.554,11 3.35,12 4.962,13 3.327,14 4.274,15 4.466,16 3.982,17 3.738,18 5.407,19 3.691,20 4.455,21 4.626,22 4.06,23 3.908,24 5.527,25 3.836,26 4.623,27 4.843,28 3.903,29 3.908,30 5.703,31 3.797,32 4.691,33 4.967,34 3.719,35 3.821,36 5.636,37 3.695,38 4.537,39 4.812,40 3.724,41 3.738,42 5.444,43 3.578,44 4.384,45 4.642,46 3.564,47 3.621,48 5.317,49 3.455,50 4.208,51 4.475,52 3.555,53 3.413,54 5.224,55 3.279,56 0.048,57 0.648,58 6,59 3.074,60 10.08,61 4.027,62 0.224,63 0.985,64 13.839,65 5.509,66 21.265,67 7.281,68 0.124,69 1.163,70 21.439,71 6.866,72 13.608,73 8.734,74 0.281,75 1.281,76 26.055,77 8.455,78 34.523,79 11.312,80 0.362,81 1.259,82 26.332,83 7.753,84 43.663,85 11.193,86 0.288,87 1.054,88 23.963,89 8.057,90 32.192,91 11.149,92 0.204,93 0.895,94 38.371,95 7.856,96 26.094,97 9.985,98 0.213,99 0.774,100 17.252,101 5.244,102 28.603,103 7.144,104 26,105 36,106 0.282,107 0.674,108 0.801,109 0.837,110 0.837,111 0.837,112 3.189,113 0.946,114 -4.77,115 -4.69,116 -4.4,117 1,119 40,120 1,124 1,125 1,139 4,140 3,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 5,169 2,170 7,172 3,173 3,175 1,178 7,180 1,182 6,187 1,189 4,191 1,192 2,193 7,195 3,196 3,197 1,198 3,200 2,201 2,204 3,205 1,207 1,212 1,215 4,218 1,220 2,221 2,223 1,224 1,226 2,229 6,231 2,234 2,241 5,246 4,248 1,249 1,251 2,254 1,256 2,260 5,265 2,268 2,270 2,273 689,274 15.085,275 15.085,276 15.085,277 15.085,278 15.085,279 12.924,280 19.053,281 8.648,282 15.584,283 12.289,284 12.289,285 12.289,286 12.289,287 12.289,288 9.102,289 25.869,290 4.094,291 13.175,292 3.725,293 1.509,294 0.788,295 0.588,296 0.588,297 0.588,298 3.864,300 1,301 1,302 1,303 486,304 2.828,307 191.131,311 100.256,314 1.403,315 16.464,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 48.75,327 228,328 4.656,329 3.337,330 6.837,331 4.19,332 3.217,333 4.616,334 0.916,335 11.242,336 3.134,337 4.122,338 3.081,339 6.075,340 3.775,341 2.831,342 3.674,343 0.172,344 8.762,345 2.668,346 3.897,347 2.833,348 5.756,349 3.466,350 2.515,351 3.409,353 7.712,354 2.393,355 3.567,356 2.616,357 5.1,358 3.131,359 2.257,360 2.868,362 6.06,363 1.942,364 3.451,365 2.181,366 5.033,367 2.961,368 2.034,369 2.852,371 5.867,372 1.845,373 3.363,374 2.046,375 4.991,376 2.89,377 1.965,378 2.68,380 5.774,381 1.787,382 2.718,383 1.692,384 4.316,385 2.349,386 1.406,387 1.788,389 3.767,390 1.307,391 2.515,392 1.416,393 3.98,394 2.147,395 1.218,396 1.518,398 3.134,399 1.097,400 2.5,401 1,402 3.414,403 2,404 1,405 1.5,407 2.275,408 1,409 1.6,410 0.629,411 3.049,412 1.254,413 0.317,414 0.386,415 0.774,416 0.292,417 1.198,418 0.312,419 2.822,420 0.838,421 -0.109,422 -0.135,423 -0.285,424 -0.102,425 1.079,426 0.112,427 2.659,428 0.598,429 -0.232,430 -0.285,431 -0.511,432 -0.137,433 0.935,434 -0.256,435 2.404,436 0.485,437 -0.415,438 -0.533,439 -1.091,440 -0.372,441 0.548,442 -0.363,443 2,444 0.272,445 -0.647,446 -0.734,448 -1.564,449 -0.59,450 0.5,451 -0.747,452 2,454 -0.936,455 -1.15,457 -2.399,458 -0.858,459 11.733,460 0.51,461 0.72,462 0.031,463 32.75,464 1.424,465 17.5,466 0.761,467 15.25,468 0.663,469 18.199,470 0.791,471 23.667,472 0.592,473 21.583,474 0.938,475 6.268,476 0.273,477 4.685,478 0.204,479 0.267,481 0.375,485 1.055,486 1.322,487 0.5,488 0.794,489 1.266,490 0.817,491 0.718,492 0.793,493 0.549,494 0.626,495 0.411,496 0.674,497 1.094,498 1.344,499 0.994,500 1.121,501 0.871,502 1.095,503 0.705,504 1.145,505 0.732,506 1.136,507 0.62,508 1.21,509 1.2,510 0.917,511 0.366,512 0.764,513 1.266,514 0.964,515 0.739,516 0.768,517 0.506,518 0.784,519 0.896,520 0.953,521 0.991,522 1.017,523 1.536,524 1.269,525 0.923,526 1.118,527 1.143,528 0.881,529 0.645,530 0.753,531 1.277,532 0.9,533 5.5,534 0.124,535 3.111,536 2.125,537 1.791,538 0.785,539 0.465,540 0.342,541 0.254,542 0.107,543 5409,544 16837,545 2.016,546 42.5,547 3,548 9,550 1,551 4,555 1.657,556 1.84,557 3.255,558 1.865,559 1,560 1,564 63.88,565 1.597,566 3.813,567 4.534,568 4.734,569 4.734,570 4.734,571 2.699,572 4.056,573 4.495,574 3.373,575 853.404,576 7.737,577 9515.94,578 1,579 1,580 1,581 1,582 212.877,583 1.538,584 4.428,585 0.22,586 0.014,587 0.086,588 0.056,589 0.054,590 0.03,591 0.02,592 0.016,593 0.014,594 0.007,595 0.518,596 0.17,597 1,598 0.675,599 107.02,600 -0.168,601 -0.127,602 -0.004,603 0.021,604 -0.3,605 0.039,606 0.235,607 0.318,608 0.066,609 0.231,610 0.334,611 0.227,612 -0.189,613 -0.245,614 -0.102,615 -0.178,616 -0.118,617 -0.174,618 0.184,619 -0.133,620 -0.078,621 -0.256,622 0.228,623 -0.272,624 -0.206,625 0.04,626 0.014,627 0.018,628 -0.242,629 -0.037,630 0.088,631 0.138,632 0.061,633 0.098,634 -0.026,635 0.041,636 -0.097,637 -0.134,638 -0.166,639 -0.146,640 -0.048,641 -0.062,642 -0.122,643 0.073,644 0.051,645 0.129,646 -0.147,647 0.055,648 1.526,649 1.995,650 0.696,651 17.433,652 1.004,653 1.133,654 3.543,655 12.554,656 0.699,657 3.258,658 3.611,659 3.871,660 4.127,661 4.344,662 4.382,663 4.382,664 4.466,665 4.564,666 4.477,667 5.622,668 0.658,669 373.29,670 3.258,671 4.812,672 5.666,673 6.555,674 7.426,675 8.318,676 9.195,677 10.089,678 10.97,679 11.866,680 15,684 2,686 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,714 1,717 1,718 40,719 17,720 1,721 25,722 1,723 42,724 16,725 13,726 2,727 4,729 3,730 4,734 1,741 13,742 3,753 1,754 1,757 17,758 6,759 4,760 7,761 1,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,805 1,806 2,810 23,811 2,816 1,821 1,828 1,836 12.5,837 7.776,838 4.972,839 2.133,840 3.278,841 1.471,842 1.011,843 4.374,844 10.237,845 3.541,846 4.22,847 4.836,848 5.447,849 6.027,850 6.291,851 6.583,852 6.953,853 7.338,854 7.401,855 0.857,856 38,857 8.413,859 3.493,860 7.699,861 16.005,863 12.83,865 2.199,866 50.583,869 1,870 153.024,871 86.978,872 165.229,877 132.932,878 153.024,879 119.275,880 17.222,881 2.106,882 103.699,883 62.128,884 28.643,885 4.227,886 141.253,887 45.954,888 153.024,889 206.253,892 45.954,893 154.74,897 21.877,898 132.304,899 50.357,900 45.954,901 153.024,902 119.275,903 132.932,906 153.024,907 22.804,908 67.298,909 45.954,910 116.151,911 153.024,912 119.275,913 132.932,915 0.595,916 0.348,917 0.185,918 0.101,919 18,920 9,921 0.071,922 3,923 1,924 1.125,925 3.429,926 184.563,927 0.125,928 16,929 100.042,933 15.967,934 6.301,935 3.234,936 1.295,937 119.275,938 9.981,939 12.558,943 4.779,945 65.794,946 405.232,947 33.5,956 40.142,957 45.323,958 0.3,959 0.716,960 0.852,961 0.89,962 0.89,963 0.89,964 4.781,965 1.218,966 5.68,967 3.767,968 4.29,969 4.905,970 0.918,971 6.512,972 4.165,973 6.027,974 1,975 7.261,976 3.134,977 4.007,978 4.856,979 0.325,980 7.455,981 3.799,982 7.357,983 0.317,984 8.938,985 2.275,986 5.911,987 7.203,988 0.671,989 10.56,990 5.698,991 8.722,992 -0.109,993 10.67,994 0.774,995 6.382,996 7.933,997 0.393,998 12.318,999 6.12,1000 10.115,1001 -0.232,1002 12.438,1003 -0.285,1004 7.811,1005 9.799,1006 0.533,1007 14.973,1008 7.538,1009 11.53,1010 -0.415,1011 14.232,1012 -0.511,1013 8.636,1014 10.921,1015 0.384,1016 17.096,1017 8.335,1018 12.962,1019 -0.647,1020 16.046,1021 -1.091,1022 9.882,1023 12.586,1024 0.438,1025 19.594,1026 9.565,1027 3.217,1028 -0.936,1029 17.877,1030 -1.564,1031 10.877,1032 13.913,1033 0.351,1034 21.881,1035 10.54,1036 2.831,1037 11.242,1038 19.721,1039 -2.399,1040 12.054,1041 15.492,1042 0.366,1043 24.322,1044 11.699,1045 2.515,1046 8.762,1047 21.576,1048 4.616,1049 13.131,1050 16.922,1051 0.312,1052 26.682,1053 12.757,1054 2.257,1055 7.712,1056 23.441,1057 3.674,1058 14.286,1059 18.466,1060 0.309,1061 29.105,1062 13.892,1063 2.034,1064 6.06,1065 25.315,1066 3.409,1067 15.403,1068 19.947,1069 0.273,1070 31.496,1071 14.988,1072 1.965,1073 5.867,1074 27.195,1075 2.868,1076 16.552,1077 21.478,1078 0.262,1079 33.914,1080 16.118,1081 1.406,1082 5.774,1083 29.081,1084 2.852,1085 17.689,1086 22.983,1087 0.236,1088 36.319,1089 17.234,1090 5311,1091 9479,1092 16.126,1093 27.955,1094 37.978,1095 38.028,1096 39.503,1097 37.766,1098 37.519,1099 50.584,1100 2.178,1101 110.735,1102 34.93,1103 5.486,1104 5.337,1105 6.251,1106 5.265,1107 5.217,1108 7.616,1109 1.605,1110 18.517,1111 5.134,1112 13.196,1113 1.519,1114 1.521,1115 1.58,1116 1.511,1117 1.501,1118 2.023,1119 0.087,1120 4.429,1121 1.397,1122 4.074,1123 4.114,1124 6.88,1125 3.964,1126 5.321,1127 3.979,1128 3.903,1129 3.935,1130 4.048,1131 3.851,1132 4.981,1133 3.836,1134 3.562,1135 3.627,1136 3.772,1137 3.384,1138 4.816,1139 3.401,1140 3.327,1141 3.416,1142 3.47,1143 3.126,1144 4.747,1145 3.122,1146 3.162,1147 3.261,1148 3.136,1149 2.933,1150 4.232,1151 2.94,1152 3.023,1153 3.153,1154 3.048,1155 2.736,1156 4.078,1157 2.725,1158 2.877,1159 2.986,1160 2.815,1161 2.735,1162 3.999,1163 2.715,1164 2.854,1165 2.925,1166 2.687,1167 2.705,1168 3.674,1169 2.667,1170 0.186,1171 0.133,1172 0.273,1173 0.168,1174 0.129,1175 4.656,1176 0.185,1177 3.337,1178 0.037,1179 6.837,1180 0.45,1181 4.19,1182 0.125,1183 3.217,1184 4.616,1185 0.916,1186 11.242,1187 3.134,1188 2,1189 1.969,1190 2.066,1191 2.134,1192 1.243,1193 2.114,1194 1.883,1195 1.857,1196 1.961,1197 1.977,1198 1.085,1199 1.984,1200 1.501,1201 1.439,1202 1.675,1203 1.714,1204 0.804,1205 1.711,1206 1.29,1207 1.203,1208 1.579,1209 1.549,1210 0.564,1211 1.57,1212 1.12,1213 1.03,1214 1.447,1215 1.4,1216 0.535,1217 1.409,1218 0.946,1219 0.827,1220 1.263,1221 1.337,1222 0.218,1223 1.341,1224 0.886,1225 0.821,1226 1.193,1227 1.163,1228 0.161,1229 1.192,1230 0.863,1231 0.758,1232 1.181,1233 1.062,1234 0.056,1235 1.107,1236 3.932,1238 5.273,1240 6.812,1242 8.447,1244 10.131,1245 3.447,1246 4.042,1250 11.623,1252 0.709,1257 2.149,1262 26.314,1263 63.88,1264 152.513,1265 181.367,1266 189.367,1267 189.367,1268 189.367,1269 30.581,1270 6.959,1271 93.95,1272 93.95,1273 18,1274 12.394,1275 4.17,1276 3.248,1277 36.897,1278 77,1279 83,1280 0.238,1281 171.328,1282 279.74,1283 409.801,1284 8947,1285 2.5,1286 16.56,1287 0.72,1288 0.63,1289 17.56,1290 14.501,1291 10.952,1292 0.438,1293 0.315,1294 7.043,1295 10.008,1296 6.736,1297 5.632,1298 11.53,1299 7.886,1300 10.321,1301 0.287,1302 0.176,1303 11.137,1304 6.322,1305 8.479,1306 0.18,1307 0.092,1308 9.057,1309 4.338,1310 7.147,1311 0.117,1312 0.046,1313 7.48,1314 2.799,1315 5.489,1316 0.072,1317 0.025,1318 5.917,1319 1.891,1320 0.369,1321 76.593,1322 0.249,1323 22.423,1324 0.665,1325 122,1326 333.859,1327 198.112,1328 372.259,1329 506.18,1330 346,1331 144,1332 357.987,1333 182.589,1334 381.106,1335 554.17,1336 356,1337 7.444}
{0 CHEMBL79407,1 1.404,2 10.731,3 3.085,4 9.518,5 110.479,6 6.97,7 0.643,8 3.991,9 4.143,10 3.489,11 3.512,12 5.127,13 3.482,14 4.469,15 4.669,16 3.831,17 3.887,18 5.532,19 3.83,20 4.691,21 4.9,22 3.929,23 4.052,24 5.702,25 3.976,26 4.829,27 5.059,28 3.941,29 4.11,30 5.847,31 4.011,32 4.931,33 5.178,34 3.838,35 4.136,36 5.945,37 4.01,38 4.97,39 5.274,40 3.712,41 4.049,42 5.883,43 3.883,44 4.731,45 5.018,46 3.518,47 3.845,48 5.661,49 3.689,50 4.559,51 4.851,52 3.346,53 3.652,54 5.462,55 3.5,56 0.074,57 0.781,58 11.124,59 3.982,60 14.282,61 5.91,62 0.211,63 1.178,64 18.786,65 6.98,66 23.744,67 10.195,68 0.184,69 1.428,70 23.671,71 8.311,72 23.188,73 12.511,74 0.233,75 1.569,76 27.709,77 9.57,78 35.067,79 14.523,80 0.302,81 1.668,82 31.342,83 9.795,84 51.839,85 15.316,86 0.356,87 1.555,88 34.001,89 11.299,90 58.864,91 17.459,92 0.307,93 1.264,94 26.434,95 8.63,96 43.403,97 13.318,98 0.212,99 1.053,100 22.282,101 7.127,102 35.041,103 11.175,104 27,105 39,106 0.237,107 0.589,108 0.75,109 0.85,110 0.859,111 0.859,112 3.304,113 0.917,114 -4.46,115 -4.39,116 -4.14,119 40,120 1,121 1,124 1,125 1,139 8,140 3,141 2,143 1,144 1,147 1,157 3,158 3,159 3,166 11,169 1,170 5,172 3,173 3,175 2,178 11,180 2,182 7,184 1,185 1,187 3,189 7,191 3,193 8,195 1,196 1,197 1,198 7,200 2,201 4,204 7,205 1,207 5,212 5,215 7,218 5,223 2,224 2,225 1,226 5,228 2,229 8,231 5,232 1,233 2,234 1,236 1,237 1,239 4,241 8,243 4,246 1,250 1,251 1,253 2,254 6,256 1,258 1,260 2,262 1,263 1,265 1,268 4,270 1,273 904,274 17.37,275 17.37,276 17.37,277 17.37,278 17.37,279 15.1,280 21.307,281 10.195,282 17.662,283 13.744,284 13.744,285 13.744,286 13.744,287 13.744,288 10.362,289 29.052,290 4.745,291 14.238,292 4.24,293 2.15,294 1.195,295 0.605,296 0.55,297 0.55,298 3.982,301 1,302 1,303 590,304 3,307 275.585,314 1.849,315 17.973,317 1,318 0.75,319 0.83,320 0.83,321 0.7,322 0.5,323 0.83,324 1,325 0.78,326 55,327 279,328 4.538,329 3.28,330 6.772,331 4.156,332 3.179,333 4.256,334 0.916,335 11.08,336 3.108,337 4.246,338 3.162,339 6.395,340 3.898,341 2.944,342 3.831,343 0.172,344 9.682,345 2.809,346 3.899,347 2.701,348 5.446,349 3.507,350 2.518,351 3.447,353 7.195,354 2.492,355 3.651,356 2.393,357 5.317,358 3.237,359 2.294,360 3.031,362 6.719,363 2.16,364 3.303,365 2.229,366 5.038,367 2.939,368 1.992,369 2.551,371 5.709,372 1.882,373 3.213,374 2.085,375 4.876,376 2.846,377 1.907,378 2.427,380 5.318,381 1.787,382 2.99,383 1.772,384 4.605,385 2.604,386 1.64,387 2.156,389 4.436,390 1.577,391 2.855,392 1.528,393 3.878,394 2.423,395 1.432,396 1.998,398 3.226,399 1.418,400 2.5,401 1.215,402 3.537,403 2.096,404 1.121,405 1.5,407 2.721,408 1.09,409 2.459,410 1,411 3.317,412 2,413 1,414 1.449,415 2.136,416 1,417 1.713,418 0.653,419 3.247,420 1.522,421 0.54,422 0.611,423 1.027,424 0.53,425 1.334,426 0.223,427 2.778,428 1.032,429 0.079,430 0.095,431 0.171,432 0.075,433 1.115,434 0.07,435 2.69,436 0.807,437 -0.151,438 -0.181,439 -0.376,440 -0.144,441 0.928,442 -0.105,443 2.42,444 0.617,445 -0.341,446 -0.403,448 -0.783,449 -0.325,450 0.826,451 -0.305,452 2.275,453 0.439,454 -0.478,455 -0.587,457 -1.148,458 -0.437,459 12.4,460 0.477,461 0.682,462 0.026,463 36.5,464 1.404,465 20,466 0.769,467 16.5,468 0.635,469 19.597,470 0.754,471 27.8,472 0.556,473 27.42,474 1.055,475 7.222,476 0.278,477 5.268,478 0.203,479 0.177,481 0.355,485 1.229,486 1.231,487 0.918,488 0.974,489 1.396,490 0.92,491 0.707,492 0.954,493 0.796,494 0.914,495 0.456,496 0.874,497 1.019,498 1.198,499 0.985,500 1.088,501 0.873,502 1.042,503 0.937,504 1.22,505 1.023,506 1.162,507 0.724,508 1.113,509 1.41,510 1.161,511 1.293,512 1.179,513 1.514,514 1.215,515 0.758,516 0.848,517 0.876,518 0.904,519 0.824,520 0.904,521 0.923,522 0.894,523 1.023,524 0.989,525 1.181,526 1.013,527 0.941,528 1.013,529 0.964,530 0.999,531 0.893,532 0.987,533 5.5,534 0.083,535 2.889,536 2.625,537 1.689,538 1.083,539 0.607,540 0.408,541 0.217,542 0.191,543 7666,544 18483,545 2.014,546 48,547 3,548 13,551 6,552 2,555 1.69,556 1.857,557 3.356,558 3.392,559 1,560 1,564 70.205,565 1.404,566 3.494,567 4.448,568 5.039,569 5.094,570 5.094,571 2.892,572 4.104,573 4.67,574 3.539,575 1150.27,576 8.091,577 14280.3,579 1,581 1,582 282.193,583 1.502,584 4.615,585 0.196,586 0.005,587 0.074,588 0.063,589 0.041,590 0.031,591 0.02,592 0.016,593 0.01,594 0.012,595 0.468,597 1,598 0.819,599 127.139,600 -0.174,601 0.011,602 0.011,603 0.079,604 -0.304,605 0.069,606 0.254,607 0.174,608 0.15,609 0.125,610 0.255,611 0.125,612 -0.044,613 -0.094,614 -0.036,615 -0.064,616 -0.062,617 -0.052,618 0.03,619 -0.167,620 -0.064,621 -0.155,622 0.136,623 -0.126,624 -0.292,625 -0.114,626 -0.316,627 -0.215,628 -0.306,629 -0.26,630 0.135,631 0.039,632 0.116,633 0.067,634 0.148,635 0.086,636 0.063,637 0.045,638 -0.033,639 -0.026,640 -0.097,641 -0.038,642 0.028,643 -0.093,644 0.029,645 -0.037,646 0.073,647 -0.01,648 1.477,649 2.337,650 0.692,651 23.692,652 0.991,653 1.135,654 3.234,655 10.456,656 0.658,657 3.367,658 3.689,659 3.951,660 4.22,661 4.382,662 4.419,663 4.466,664 4.564,665 4.533,666 4.595,667 6.3,668 0.617,669 348.5,670 3.367,671 4.905,672 5.753,673 6.635,674 7.497,675 8.385,676 9.254,677 10.145,678 11.017,679 11.91,680 12,684 3,686 1,690 2,695 8,696 2,700 8,702 18,711 3,714 1,718 50,719 18,720 2,721 28,723 52,724 20,725 16,726 4,727 8,729 3,730 3,734 1,739 1,741 16,742 4,754 1,757 24,758 6,759 6,760 6,764 6,769 1,776 1,781 3,802 3,806 2,810 26,811 3,816 2,821 1,836 14,837 9.267,838 5.806,839 2.856,840 3.181,841 1.45,842 1,843 5.402,844 10.255,845 3.638,846 4.256,847 4.83,848 5.405,849 5.922,850 6.119,851 6.434,852 6.802,853 7.077,854 7.415,855 1,856 42,857 9.538,859 3.935,860 7.667,861 18.263,863 14.604,865 2.167,866 56.333,869 1,870 211.88,871 119.726,872 135.387,877 119.726,878 211.88,879 135.387,880 17.222,881 4.64,882 174.502,883 33.571,884 20.951,885 4.227,886 211.88,888 211.88,889 255.113,893 211.88,897 18.121,898 203.42,899 33.571,901 211.88,902 135.387,903 119.726,906 211.88,907 26.694,908 96.156,910 132.263,911 211.88,912 135.387,913 119.726,915 0.58,916 0.345,917 0.194,918 0.1,919 18,920 9,921 0.096,922 5,924 1,925 3.702,926 215.408,928 18,929 118.211,933 18.176,934 7.727,935 3.979,937 135.387,938 16.193,939 8.402,943 5.946,945 98.692,946 466.993,947 37,956 49.563,957 56.727,958 0.249,959 0.619,960 0.788,961 0.893,962 0.903,963 0.903,964 4.864,965 1.432,966 5.746,967 4.436,968 4.369,969 4.942,970 0.918,971 6.567,972 4.301,973 6.082,974 1.121,975 7.314,976 3.226,977 4.007,978 4.745,979 0.325,980 7.499,981 3.888,982 7.391,983 1,984 8.982,985 2.721,986 5.969,987 7.143,988 0.671,989 10.612,990 5.838,991 8.737,992 0.54,993 10.71,994 2.136,995 6.399,996 7.72,997 0.393,998 12.381,999 6.224,1000 10.112,1001 0.079,1002 12.476,1003 1.027,1004 7.856,1005 9.615,1006 0.533,1007 15.023,1008 7.668,1009 11.508,1010 -0.151,1011 14.271,1012 0.171,1013 8.66,1014 10.579,1015 0.384,1016 17.149,1017 8.436,1018 12.923,1019 -0.341,1020 16.086,1021 -0.376,1022 9.916,1023 12.242,1024 0.438,1025 19.625,1026 9.675,1027 3.179,1028 -0.478,1029 17.917,1030 -0.783,1031 10.898,1032 13.415,1033 0.351,1034 21.902,1035 10.626,1036 2.944,1037 11.08,1038 19.761,1039 -1.148,1040 12.075,1041 14.962,1042 0.366,1043 24.319,1044 11.782,1045 2.518,1046 9.682,1047 21.616,1048 4.256,1049 13.14,1050 16.251,1051 0.312,1052 26.66,1053 12.819,1054 2.294,1055 7.195,1056 23.479,1057 3.831,1058 14.287,1059 17.739,1060 0.309,1061 29.057,1062 13.945,1063 1.992,1064 6.719,1065 25.349,1066 3.447,1067 15.39,1068 19.092,1069 0.273,1070 31.427,1071 15.022,1072 1.907,1073 5.709,1074 27.224,1075 3.031,1076 16.529,1077 20.551,1078 0.262,1079 33.819,1080 16.138,1081 1.64,1082 5.318,1083 29.104,1084 2.551,1085 17.651,1086 21.941,1087 0.236,1088 36.201,1089 17.236,1090 7523,1091 11800,1092 18.205,1093 32.887,1094 41.687,1095 41.261,1096 43.571,1097 41.378,1098 41.293,1099 54.702,1100 2.178,1101 118.838,1102 39.854,1103 5.366,1104 5.28,1105 6.574,1106 5.226,1107 5.179,1108 7.256,1109 1.605,1110 18.027,1111 5.108,1112 14.322,1113 1.489,1114 1.474,1115 1.556,1116 1.478,1117 1.475,1118 1.954,1119 0.078,1120 4.244,1121 1.423,1122 4.034,1123 4.071,1124 3.993,1125 3.949,1126 5.288,1127 3.954,1128 3.902,1129 3.939,1130 3.836,1131 3.836,1132 5.097,1133 3.83,1134 3.772,1135 3.822,1136 3.72,1137 3.629,1138 4.978,1139 3.646,1140 3.402,1141 3.49,1142 3.254,1143 3.218,1144 4.754,1145 3.21,1146 3.38,1147 3.469,1148 3.204,1149 3.165,1150 4.535,1151 3.169,1152 3.103,1153 3.219,1154 2.977,1155 2.857,1156 4.381,1157 2.872,1158 3.019,1159 3.133,1160 2.858,1161 2.805,1162 4.094,1163 2.799,1164 2.963,1165 3.054,1166 2.762,1167 2.762,1168 3.965,1169 2.756,1170 0.162,1171 0.117,1172 0.242,1173 0.148,1174 0.114,1175 4.538,1176 0.152,1177 3.28,1178 0.033,1179 6.772,1180 0.396,1181 4.156,1182 0.111,1183 3.179,1184 4.256,1185 0.916,1186 11.08,1187 3.108,1188 1.977,1189 1.949,1190 2.069,1191 2.086,1192 1.224,1193 2.08,1194 1.901,1195 1.872,1196 2.017,1197 1.999,1198 1.151,1199 2.007,1200 1.721,1201 1.674,1202 1.876,1203 1.889,1204 1.018,1205 1.884,1206 1.4,1207 1.317,1208 1.677,1209 1.637,1210 0.782,1211 1.663,1212 1.346,1213 1.261,1214 1.595,1215 1.598,1216 0.575,1217 1.612,1218 1.018,1219 0.936,1220 1.36,1221 1.378,1222 0.5,1223 1.362,1224 0.998,1225 0.907,1226 1.287,1227 1.297,1228 0.218,1229 1.3,1230 0.961,1231 0.868,1232 1.258,1233 1.222,1234 0.19,1235 1.275,1236 4.043,1238 5.361,1240 6.882,1242 8.499,1244 10.164,1246 4.034,1250 18.15,1252 1.486,1257 2.123,1262 30.87,1263 70.205,1264 174.709,1265 222.418,1266 251.928,1267 254.683,1268 254.683,1269 40.362,1270 7.073,1271 107.08,1272 107.08,1273 18,1274 12.441,1275 4.248,1276 3.322,1277 44.402,1278 101,1279 96,1280 0.224,1281 194.856,1282 327.02,1283 467.209,1284 10422,1286 18.681,1287 0.719,1288 0.581,1289 18.681,1290 15.107,1291 12.49,1292 0.446,1293 0.306,1294 8.469,1295 12.15,1296 8.18,1297 6.886,1298 12.49,1299 8.56,1300 11.231,1301 0.288,1302 0.16,1303 11.231,1304 6.258,1305 9.186,1306 0.18,1307 0.085,1308 9.186,1309 4.354,1310 8.095,1311 0.121,1312 0.047,1313 8.095,1314 3.117,1315 5.954,1316 0.075,1317 0.025,1318 5.954,1319 1.951,1320 0.351,1321 77.284,1322 0.234,1323 25.098,1324 0.619,1325 134,1326 326.872,1327 143.492,1328 334.404,1329 469.14,1330 312,1331 157,1332 360.634,1333 166.52,1334 373.281,1335 541.38,1336 350,1337 7}
{0 CHEMBL79417,1 1.405,2 9.217,3 2.419,4 5.851,5 98.007,6 6.648,7 0.48,8 3.934,9 4.094,10 3.393,11 3.419,12 4.992,13 3.385,14 4.465,15 4.678,16 3.75,17 3.825,18 5.447,19 3.755,20 4.738,21 4.987,22 3.843,23 3.994,24 5.643,25 3.904,26 4.777,27 5.017,28 3.846,29 4.034,30 5.752,31 3.928,32 4.855,33 5.108,34 3.733,35 4.034,36 5.844,37 3.903,38 4.883,39 5.193,40 3.496,41 3.897,42 5.775,43 3.711,44 4.631,45 4.96,46 3.196,47 3.594,48 5.432,49 3.403,50 4.283,51 4.58,52 3.132,53 3.359,54 5.124,55 3.226,56 0.075,57 0.742,58 11.225,59 3.717,60 12.034,61 5.898,62 0.21,63 1.139,64 19.556,65 6.869,66 22.775,67 10.476,68 0.243,69 1.378,70 26.136,71 8.137,72 24.951,73 13.171,74 0.235,75 1.433,76 27.015,77 8.901,78 32.668,79 14.093,80 0.278,81 1.47,82 29.583,83 8.704,84 46.001,85 14.453,86 0.359,87 1.306,88 30.96,89 9.291,90 55.885,91 15.185,92 0.322,93 0.969,94 24.259,95 7.016,96 38.067,97 11.576,98 0.176,99 0.758,100 16.844,101 4.807,102 22.69,103 8.078,104 18,105 35,106 0.243,107 0.589,108 0.76,109 0.833,110 0.833,111 0.833,112 3.189,113 0.98,114 -4,115 -3.95,116 -3.74,119 36.2,120 1,121 4,125 2,139 3,140 2,141 2,143 1,144 1,147 1,157 3,158 3,159 3,166 7,169 1,170 6,172 3,173 3,175 2,178 6,180 2,182 6,184 1,185 1,187 3,189 4,191 3,193 6,195 1,196 1,197 1,198 7,200 2,201 5,204 7,205 1,207 4,212 6,215 8,218 6,223 2,224 2,225 1,226 4,228 2,229 5,231 4,232 1,233 2,234 1,236 1,237 1,239 2,241 3,243 2,246 1,250 1,253 2,254 1,258 1,260 4,262 1,263 1,265 2,268 2,270 2,273 667,274 15.508,275 15.508,276 15.508,277 15.508,278 15.508,279 13.99,280 20.759,281 9.098,282 15.809,283 12.271,284 12.271,285 12.271,286 12.271,287 12.271,288 9.93,289 26.644,290 4.213,291 12.789,292 4.15,293 2.152,294 1.16,295 0.739,296 0.739,297 0.739,298 3.867,300 1,301 1,302 1,303 451,304 2.236,307 225.333,314 1.512,315 17.979,317 1,318 0.75,319 0.83,320 0.83,321 0.9,322 1,323 0.83,324 1,325 0.88,326 49,327 212,328 4.538,329 3.28,330 6.773,331 4.157,332 3.181,333 4.257,334 0.8,335 11.084,336 3.108,337 4.249,338 3.156,339 6.444,340 3.908,341 2.957,342 3.831,344 9.922,345 2.813,346 3.681,347 2.494,348 5.398,349 3.315,350 2.371,351 3.045,353 6.928,354 2.237,355 3.326,356 2.255,357 5.056,358 3.044,359 2.099,360 2.554,362 5.843,363 1.98,364 3.286,365 2.198,366 5.035,367 2.928,368 1.981,369 2.477,371 5.682,372 1.874,373 3.027,374 1.811,375 4.708,376 2.671,377 1.708,378 2.171,380 4.749,381 1.638,382 2.768,383 1.57,384 4.031,385 2.468,386 1.49,387 1.841,389 3.512,390 1.455,391 2.279,392 1.192,393 3.512,394 2.086,395 1.109,396 1.261,398 2.638,399 1.081,400 2,401 1.077,402 3.312,403 1.984,404 1,405 1,407 2.136,408 0.983,409 1.712,410 0.655,411 3.247,412 1.526,413 0.543,414 0.613,415 1.037,416 0.533,417 1.33,418 0.194,419 2.758,420 1.037,421 0.085,422 0.1,423 0.18,424 0.08,425 1.068,426 -0.03,427 2.59,428 0.749,429 -0.199,430 -0.238,431 -0.487,432 -0.188,433 0.826,434 -0.305,435 2.408,436 0.439,437 -0.478,438 -0.587,439 -1.148,440 -0.437,441 0.69,442 -0.557,443 2.255,444 0.309,445 -0.665,446 -0.788,448 -1.636,449 -0.645,450 0.268,451 -0.699,452 2.051,453 0.116,454 -0.849,455 -0.95,457 -1.906,458 -0.815,459 10.9,460 0.474,461 0.575,462 0.025,463 29,464 1.261,465 14,466 0.609,467 15,468 0.652,469 19.422,470 0.844,471 25.7,472 0.547,473 20.081,474 0.873,475 5.218,476 0.227,477 5.878,478 0.256,479 0.156,481 0.358,485 1.225,486 1.348,487 0.962,488 1.066,489 1.347,490 0.993,491 0.655,492 1.1,493 0.84,494 1.056,495 0.378,496 0.984,497 1.034,498 1.062,499 0.914,500 0.946,501 0.745,502 0.92,503 0.87,504 1.209,505 1.001,506 1.166,507 0.701,508 1.11,509 1.307,510 1.232,511 1.263,512 1.229,513 1.51,514 1.239,515 0.867,516 0.942,517 1.002,518 1.023,519 1.047,520 1.029,521 0.863,522 0.751,523 0.903,524 0.837,525 1.089,526 0.869,527 0.95,528 1.031,529 0.882,530 0.935,531 0.829,532 0.905,533 4.5,534 0.082,535 2.667,536 2.375,537 1.409,538 0.868,539 0.603,540 0.321,541 0.144,542 0.1,543 5243,544 11293,545 2.041,546 51.1,547 5,548 7,551 6,552 2,553 4,555 1.659,556 1.89,557 3.155,558 3.58,559 1,560 1,564 66.03,565 1.405,566 3.403,567 4.394,568 4.815,569 4.815,570 4.815,571 2.707,572 4.263,573 4.495,574 3.302,575 835.487,576 7.748,577 9267.15,579 1,581 1,582 261.066,583 1.478,584 4.443,585 0.18,586 0.008,587 0.076,588 0.063,589 0.038,590 0.028,591 0.026,592 0.019,593 0.008,594 0.007,595 0.453,596 0.33,597 1,598 0.832,599 106.357,600 -0.17,601 -0.022,602 0.02,603 0.074,604 -0.224,605 0.071,606 0.265,607 0.067,608 0.129,609 0.041,610 0.303,611 0.064,612 -0.044,613 0.017,614 0.065,615 0.083,616 0.032,617 0.087,618 0.036,619 -0.122,620 -0.035,621 -0.11,622 0.158,623 -0.086,624 -0.249,625 -0.16,626 -0.282,627 -0.229,628 -0.256,629 -0.255,630 0.067,631 -0.043,632 -0.028,633 -0.074,634 0.03,635 -0.065,636 0.114,637 0.1,638 0.08,639 0.077,640 -0.048,641 0.075,642 0.058,643 -0.093,644 0.104,645 0.015,646 0.088,647 0.058,648 1.457,649 2.313,650 0.783,651 17.739,652 0.991,653 1.143,654 2.769,655 7.668,656 0.636,657 3.258,658 3.584,659 3.871,660 4.159,661 4.344,662 4.369,663 4.443,664 4.543,665 4.522,666 4.554,667 5.432,668 0.593,669 312.47,670 3.258,671 4.796,672 5.652,673 6.541,674 7.414,675 8.308,676 9.187,677 10.083,678 10.964,679 11.862,680 12.8,684 3,686 1,690 2,695 3,696 2,700 7,702 12,711 3,714 1,718 47,719 12,720 1,721 25,723 49,724 17,725 10,726 3,727 3,729 3,730 3,734 1,736 3,739 4,741 10,742 7,753 1,754 1,757 24,758 6,759 6,760 6,764 6,769 1,776 1,781 3,802 3,806 1,810 23,811 3,816 6,821 1,836 12.167,837 8.35,838 5.139,839 3.019,840 2.333,841 1.338,842 1.002,843 4.689,844 9.229,845 3.466,846 4.06,847 4.64,848 5.226,849 5.745,850 6.018,851 6.343,852 6.7,853 6.934,854 7.193,855 1,856 38,857 8.484,859 3.551,860 7.616,861 16.511,863 13.621,865 2.116,866 48.667,869 1,870 211.88,871 70.472,872 135.387,877 70.472,878 211.88,879 135.387,880 8.825,881 14.35,882 127.12,883 33.571,884 17.766,885 4.227,886 211.88,888 211.88,889 205.859,893 164.795,894 47.084,897 27.831,898 144.457,899 33.571,901 211.88,902 135.387,903 70.472,906 211.88,907 33.218,908 40.378,910 132.263,911 211.88,912 135.387,913 70.472,915 0.579,916 0.35,917 0.202,918 0.107,919 17,920 8,921 0.061,922 3,924 1,925 3.421,926 185.686,928 18,929 100.042,933 16.029,934 6.728,935 3.258,937 135.387,938 6.088,939 8.4,943 5.098,945 98.692,946 417.739,947 31,956 46.563,957 53.727,958 0.253,959 0.613,960 0.791,961 0.867,962 0.867,963 0.867,964 4.71,965 1.109,966 5.645,967 3.512,968 4.263,969 4.745,970 0.673,971 6.482,972 4.183,973 5.912,974 1,975 7.22,976 2.638,977 3.892,978 4.62,979 0.325,980 7.448,981 3.757,982 7.226,983 0.543,984 8.898,985 2.136,986 5.872,987 6.938,988 0.379,989 10.575,990 5.718,991 8.577,992 0.085,993 10.637,994 1.037,995 6.312,996 7.612,997 0.268,998 12.382,999 6.114,1000 9.961,1001 -0.199,1002 12.416,1003 0.18,1004 7.78,1005 9.439,1006 0.239,1007 15.03,1008 7.563,1009 11.368,1010 -0.478,1011 14.222,1012 -0.487,1013 8.6,1014 10.488,1015 0.188,1016 17.18,1017 8.35,1018 12.794,1019 -0.665,1020 16.049,1021 -1.148,1022 9.864,1023 12.107,1024 0.156,1025 19.66,1026 9.593,1027 3.181,1028 -0.849,1029 17.891,1030 -1.636,1031 10.861,1032 13.343,1033 0.125,1034 21.949,1035 10.562,1036 2.957,1037 11.084,1038 19.745,1039 -1.906,1040 12.044,1041 14.865,1042 0.102,1043 24.368,1044 11.723,1045 2.371,1046 9.922,1047 21.609,1048 4.257,1049 13.12,1050 16.195,1051 0.082,1052 26.714,1053 12.773,1054 2.099,1055 6.928,1056 23.48,1057 3.831,1058 14.273,1059 17.672,1060 0.066,1061 29.111,1062 13.904,1063 1.981,1064 5.843,1065 25.357,1066 3.045,1067 15.384,1068 19.051,1069 0.054,1070 31.482,1071 14.992,1072 1.708,1073 5.682,1074 27.238,1075 2.554,1076 16.528,1077 20.506,1078 0.043,1079 33.873,1080 16.113,1081 1.49,1082 4.749,1083 29.123,1084 2.477,1085 17.655,1086 21.911,1087 0.035,1088 36.255,1089 17.218,1090 5159,1091 7706,1092 16.414,1093 29.887,1094 37.112,1095 37.057,1096 39.035,1097 37.127,1098 37.045,1099 46.303,1100 1.6,1101 107.418,1102 35.566,1103 5.538,1104 5.28,1105 6.575,1106 5.227,1107 5.181,1108 7.257,1109 1.2,1110 18.04,1111 5.108,1112 11.711,1113 1.484,1114 1.482,1115 1.561,1116 1.485,1117 1.482,1118 1.852,1119 0.064,1120 4.297,1121 1.423,1122 4.034,1123 4.073,1124 3.992,1125 3.944,1126 5.288,1127 3.951,1128 3.844,1129 3.906,1130 3.773,1131 3.69,1132 5.095,1133 3.7,1134 3.692,1135 3.748,1136 3.575,1137 3.565,1138 4.978,1139 3.562,1140 3.392,1141 3.485,1142 3.204,1143 3.192,1144 4.541,1145 3.184,1146 3.136,1147 3.237,1148 3.029,1149 2.941,1150 4.392,1151 2.934,1152 3.111,1153 3.206,1154 2.866,1155 2.913,1156 4.223,1157 2.91,1158 3.023,1159 3.134,1160 2.86,1161 2.806,1162 3.965,1163 2.806,1164 3,1165 3.111,1166 2.831,1167 2.702,1168 3.66,1169 2.721,1170 0.182,1171 0.131,1172 0.271,1173 0.166,1174 0.127,1175 4.538,1176 0.17,1177 3.28,1178 0.032,1179 6.773,1180 0.443,1181 4.157,1182 0.124,1183 3.181,1184 4.257,1185 0.8,1186 11.084,1187 3.108,1188 1.978,1189 1.949,1190 2.085,1191 2.095,1192 1.405,1193 2.092,1194 1.811,1195 1.754,1196 1.995,1197 1.991,1198 1.187,1199 1.993,1200 1.673,1201 1.621,1202 1.855,1203 1.833,1204 1.013,1205 1.841,1206 1.382,1207 1.296,1208 1.622,1209 1.633,1210 0.825,1211 1.653,1212 1.153,1213 1.064,1214 1.513,1215 1.386,1216 0.657,1217 1.429,1218 1.066,1219 0.987,1220 1.33,1221 1.376,1222 0.522,1223 1.371,1224 0.983,1225 0.897,1226 1.283,1227 1.299,1228 0.19,1229 1.303,1230 0.932,1231 0.82,1232 1.254,1233 1.266,1234 0.128,1235 1.285,1236 3.932,1238 5.252,1240 6.786,1242 8.418,1244 10.1,1246 2.024,1250 18.091,1252 6.612,1257 2.353,1262 27.87,1263 66.03,1264 159.933,1265 206.536,1266 226.311,1267 226.311,1268 226.311,1269 34.375,1270 6.896,1271 107.08,1272 107.08,1273 18,1274 12.389,1275 3.7,1276 2.807,1277 36.779,1278 75,1279 73,1280 0.248,1281 174.861,1282 293.94,1283 418.422,1284 7931,1286 16.397,1287 0.713,1288 0.589,1289 16.397,1290 13.548,1291 11.097,1292 0.444,1293 0.327,1294 8.078,1295 10.76,1296 7.884,1297 6.575,1298 11.097,1299 8.165,1300 9.912,1301 0.283,1302 0.17,1303 9.912,1304 5.964,1305 8.281,1306 0.176,1307 0.093,1308 8.281,1309 4.377,1310 7.388,1311 0.117,1312 0.052,1313 7.388,1314 3.249,1315 5.675,1316 0.075,1317 0.029,1318 5.675,1319 2.231,1320 0.38,1321 68.837,1322 0.247,1323 22.296,1324 0.706,1325 120,1326 280.872,1327 129.825,1328 284.441,1329 402.19,1330 266,1331 142,1332 313.986,1333 151.686,1334 320.453,1335 470.62,1336 303,1337 4.602}
{0 CHEMBL79464,1 1.61,2 15,3 4.374,4 19.129,5 147.14,6 8.348,7 0.659,8 4.262,9 4.37,10 3.922,11 3.827,12 5.497,13 3.838,14 4.733,15 4.866,16 4.306,17 4.213,18 6.018,19 4.209,20 4.998,21 5.161,22 4.431,23 4.392,24 6.178,25 4.371,26 5.094,27 5.281,28 4.355,29 4.409,30 6.245,31 4.356,32 5.123,33 5.331,34 4.279,35 4.425,36 6.165,37 4.345,38 5.062,39 5.282,40 4.244,41 4.36,42 6.085,43 4.284,44 5.025,45 5.235,46 4.228,47 4.303,48 6.123,49 4.241,50 4.917,51 5.121,52 4.197,53 4.236,54 5.987,55 4.186,56 0.123,57 0.955,58 10.05,59 4.898,60 19.538,61 5.525,62 0.386,63 1.511,64 17.875,65 8.255,66 49.582,67 9.755,68 0.437,69 1.933,70 25.277,71 10.683,72 43.964,73 12.83,74 0.586,75 2.023,76 30.721,77 12.548,78 65.502,79 15.32,80 0.557,81 2.025,82 33.712,83 13.626,84 69.487,85 17.5,86 0.455,87 1.949,88 31.921,89 12.761,90 53.431,91 16.911,92 0.672,93 1.83,94 31.438,95 11.892,96 72.852,97 15.311,98 0.426,99 1.689,100 26.938,101 10.635,102 46.062,103 13.742,104 18,105 63,106 0.252,107 0.614,108 0.759,109 0.86,110 0.887,111 0.892,112 3.693,113 0.827,114 -5,115 -4.91,116 -4.6,119 46.8,125 2,134 2,139 11,140 4,141 3,142 1,143 2,144 1,146 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 15,167 1,169 2,170 8,172 3,173 4,175 1,178 16,179 2,181 4,182 12,184 1,185 1,187 2,189 13,190 2,192 2,193 6,195 3,196 3,197 1,198 2,200 2,201 12,202 1,205 1,206 1,207 7,209 1,210 1,212 1,215 16,220 2,221 11,222 1,223 1,224 1,229 14,233 1,234 10,237 1,241 10,245 1,246 13,248 1,249 1,251 4,254 7,255 2,256 4,259 1,260 16,265 8,268 7,269 2,270 6,273 3317,274 26.549,275 26.549,276 26.549,277 26.549,278 26.549,279 22.813,280 29.536,281 15.448,282 27.05,283 21.742,284 21.742,285 21.742,286 21.742,287 21.742,288 16.033,289 40.227,290 7.367,291 22.607,292 4.344,293 2.034,294 1.11,295 0.464,296 0.29,297 0.258,298 4.411,302 1,303 1298,304 3.536,307 466.311,308 96.993,311 151.388,312 314.538,314 2.41,315 38.35,318 0.75,319 0.5,320 0.83,321 0.3,323 0.67,324 0.5,325 0.51,326 84.5,327 585,328 4.549,329 3.576,330 6.81,331 4.172,332 3.213,333 4.491,334 1.437,335 11.279,336 3.085,337 4.489,338 3.419,339 6.501,340 4.014,341 3.07,342 4.107,343 1.151,344 10.172,345 2.894,346 4.168,347 3.117,348 6.099,349 3.787,350 2.79,351 3.761,352 0.916,353 8.854,354 2.776,355 4.109,356 2.995,357 5.929,358 3.698,359 2.716,360 3.736,361 0.172,362 8.228,363 2.669,364 3.789,365 2.709,366 5.494,367 3.409,368 2.45,369 3.241,371 7.287,372 2.351,373 3.714,374 2.621,375 5.344,376 3.358,377 2.386,378 3.053,380 6.919,381 2.312,382 3.555,383 2.449,384 5.224,385 3.155,386 2.205,387 2.885,389 6.553,390 2.08,391 3.431,392 2.209,393 5.067,394 3.001,395 2.06,396 2.811,398 5.942,399 1.938,400 3.407,401 2.102,402 5.05,403 2.932,404 1.999,405 2.71,407 5.795,408 1.861,409 3.29,410 1.999,411 4.944,412 2.839,413 1.893,414 2.51,415 5.597,416 1.778,417 2.937,418 1.941,419 4.255,420 2.467,421 1.471,422 2.122,423 3.673,424 1.464,425 2.79,426 1.488,427 3.843,428 2.336,429 1.344,430 1.889,431 3.179,432 1.331,433 2.769,434 1.373,435 3.796,436 2.287,437 1.288,438 1.792,439 3,440 1.267,441 2.5,442 1.186,443 3.709,444 2,445 1.01,446 1.5,448 2.565,449 1,450 2.455,451 1.059,452 3.575,453 1.928,454 1,455 1.435,457 2.38,458 0.926,459 18.3,460 0.469,461 0.989,462 0.025,463 59.25,464 1.519,465 33,466 0.846,467 26.25,468 0.673,469 29.172,470 0.748,471 39.3,472 0.634,473 50.596,474 1.297,475 11.902,476 0.305,477 7.039,478 0.18,479 0.08,481 0.377,485 0.929,486 1.15,487 0.717,488 0.894,489 0.908,490 0.782,491 0.723,492 1.022,493 0.759,494 0.952,495 0.445,496 0.883,497 0.919,498 1.061,499 0.943,500 1.038,501 0.679,502 1,503 0.997,504 0.938,505 1.085,506 1.071,507 0.816,508 1.096,509 0.84,510 0.958,511 1.046,512 1.037,513 0.777,514 1.077,515 0.656,516 0.934,517 0.941,518 1.024,519 0.524,520 1.03,521 0.859,522 0.948,523 0.963,524 0.918,525 0.714,526 0.95,527 0.801,528 1.003,529 0.888,530 0.966,531 0.533,532 0.946,533 8,534 0.379,535 4.444,536 2.5,537 2.741,538 1.187,539 0.7,540 0.729,541 0.594,542 0.346,543 26098,544 77873,545 2.155,546 37.1,548 17,550 1,551 5,555 1.794,556 2.035,557 3.791,558 2.187,564 99.83,565 1.61,566 3.92,567 4.844,568 5.49,569 5.664,570 5.696,571 3.411,572 4.978,573 5.249,574 4.018,575 2977.67,576 9.265,577 50235,582 369.16,583 1.348,584 5.226,585 0.182,586 0.009,587 0.071,588 0.036,589 0.044,590 0.02,591 0.012,592 0.013,593 0.011,594 0.006,595 0.403,597 0.63,598 0.608,599 218.513,600 -0.135,601 -0.047,602 0.017,603 0.048,604 -0.188,605 0.063,606 0.146,607 0.051,608 0.048,609 -0.002,610 0.208,611 -0.003,612 -0.038,613 -0.004,614 -0.074,615 -0.088,616 -0.005,617 -0.091,618 -0.051,619 0.056,620 -0.143,621 -0.088,622 -0.002,623 -0.129,624 -0.043,625 -0.01,626 -0.071,627 -0.018,628 -0.066,629 -0.046,630 0.034,631 0.032,632 0.036,633 -0.012,634 -0.01,635 0.009,636 0.052,637 0.009,638 0.036,639 0.088,640 0.015,641 0.069,642 0.007,643 -0.023,644 0.075,645 0.032,646 0.033,647 0.06,648 2.623,649 4.1,650 0.795,651 52.776,652 1.012,653 1.12,654 3.774,655 14.246,656 0.702,657 3.807,658 4.159,659 4.454,660 4.745,661 5.043,662 5.182,663 5.342,664 5.533,665 5.762,666 5.894,667 8.538,668 0.686,669 517.59,670 3.807,671 5.371,672 6.236,673 7.127,674 8.008,675 8.902,676 9.79,677 10.687,678 11.578,679 12.477,680 11.3,684 2,688 1,690 4,694 2,695 12,696 4,700 10,702 29,709 1,711 2,714 1,716 1,718 62,719 31,720 3,721 44,723 67,724 29,725 24,726 7,727 11,728 3,729 6,730 10,741 27,742 2,744 2,748 1,749 2,751 1,757 23,758 10,759 5,760 10,764 7,769 0.5,770 3,774 1,776 1,781 5,782 1,785 1,786 2,795 2,800 1,802 3,810 39,811 2,815 1,816 2,818 1,821 1,829 4.8,831 1,832 1,834 1,836 19.167,837 11.117,838 8.361,839 3.424,840 6.215,841 1.673,842 1.031,843 6.47,844 15.454,845 4.119,846 4.771,847 5.392,848 5.999,849 6.614,850 6.927,851 7.346,852 7.784,853 8.297,854 8.649,855 1,856 70,857 14.333,859 6.238,860 7.838,861 26.939,863 22.331,865 2.338,866 91.167,870 211.88,871 174.189,872 136.061,874 78.828,877 174.189,878 290.708,879 136.061,881 6.698,882 188.986,883 147.651,884 53.287,885 4.227,886 200.109,888 211.88,889 310.25,890 78.828,893 213.595,894 78.828,897 25.67,898 196.77,899 86.095,901 211.88,902 214.889,903 174.189,906 211.88,907 41.95,908 135.363,910 211.765,911 211.88,912 214.889,913 174.189,915 0.589,916 0.345,917 0.188,918 0.107,919 32,920 14,921 0.09,922 6,923 3,924 1.194,925 4.866,926 404.728,927 0.194,928 31,929 200.131,933 24.649,934 10.236,935 5.068,936 0.754,937 214.889,938 22.342,939 17.248,943 6.746,945 108.478,946 600.958,947 60.5,951 11.1,952 4.132,954 -0.957,956 62.763,957 69.438,958 0.27,959 0.658,960 0.814,961 0.922,962 0.951,963 0.957,964 5.362,965 2.06,966 6.229,967 6.553,968 4.844,969 5.46,970 2.228,971 7.052,972 4.768,973 6.59,974 1.999,975 7.794,976 5.942,977 4.443,978 5.27,979 0.325,980 7.955,981 4.326,982 7.906,983 1.893,984 9.455,985 5.795,986 6.454,987 7.702,988 2.638,989 11.062,990 6.304,991 9.256,992 1.471,993 11.174,994 5.597,995 6.847,996 8.311,997 0.393,998 12.794,999 6.655,1000 10.634,1001 1.344,1002 12.93,1003 3.673,1004 8.33,1005 10.215,1006 3.175,1007 15.424,1008 8.107,1009 12.033,1010 1.288,1011 14.712,1012 3.179,1013 9.101,1014 11.224,1015 0.384,1016 17.52,1017 8.833,1018 13.449,1019 1.01,1020 16.513,1021 3,1022 10.369,1023 12.894,1024 3.784,1025 19.989,1026 10.068,1027 3.213,1028 1,1029 18.33,1030 2.565,1031 11.327,1032 14.119,1033 0.351,1034 22.251,1035 10.979,1036 3.07,1037 11.279,1038 20.159,1039 2.38,1040 12.507,1041 15.678,1042 4.437,1043 24.666,1044 12.123,1045 2.79,1046 10.172,1047 21.999,1048 4.491,1049 13.557,1050 17.02,1051 0.312,1052 27.003,1053 13.125,1054 2.716,1055 8.854,1056 23.848,1057 4.107,1058 14.704,1059 18.53,1060 5.117,1061 29.404,1062 14.233,1063 2.45,1064 8.228,1065 25.704,1066 3.761,1067 15.8,1068 19.936,1069 0.273,1070 31.776,1071 15.281,1072 2.386,1073 7.287,1074 27.567,1075 3.736,1076 16.939,1077 21.425,1078 5.813,1079 34.176,1080 16.377,1081 2.205,1082 6.919,1083 29.435,1084 3.241,1085 18.057,1086 22.866,1087 0.236,1088 36.565,1089 17.448,1090 24071,1091 41757,1092 29.937,1093 43.495,1094 67.397,1095 67.676,1096 67.965,1097 66.401,1098 66.393,1099 90.25,1100 7.353,1101 194.121,1102 63.816,1103 5.401,1104 5.576,1105 6.493,1106 5.253,1107 5.213,1108 7.491,1109 2.873,1110 18.65,1111 5.085,1112 18.03,1113 1.532,1114 1.538,1115 1.545,1116 1.509,1117 1.509,1118 2.051,1119 0.167,1120 4.412,1121 1.45,1122 4.089,1123 4.126,1124 4.055,1125 3.999,1126 7.475,1127 4.005,1128 3.987,1129 4.027,1130 3.963,1131 3.868,1132 6.351,1133 3.866,1134 3.931,1135 3.952,1136 3.877,1137 3.832,1138 5.342,1139 3.864,1140 3.792,1141 3.814,1142 3.735,1143 3.737,1144 4.99,1145 3.733,1146 3.514,1147 3.582,1148 3.449,1149 3.328,1150 4.916,1151 3.349,1152 3.391,1153 3.404,1154 3.328,1155 3.24,1156 4.853,1157 3.24,1158 3.295,1159 3.332,1160 3.199,1161 3.148,1162 4.744,1163 3.166,1164 3.164,1165 3.234,1166 3.088,1167 2.932,1168 4.642,1169 2.962,1170 0.103,1171 0.081,1172 0.155,1173 0.095,1174 0.073,1175 4.549,1176 0.102,1177 3.576,1178 0.033,1179 6.81,1180 0.256,1181 4.172,1182 0.07,1183 3.213,1184 4.491,1185 1.437,1186 11.279,1187 3.085,1188 1.95,1189 1.922,1190 2.037,1191 2.117,1192 1.181,1193 2.082,1194 1.928,1195 1.903,1196 2.025,1197 2.029,1198 1.151,1199 2.027,1200 1.899,1201 1.876,1202 1.991,1203 1.992,1204 1.114,1205 1.995,1206 1.875,1207 1.841,1208 1.93,1209 1.961,1210 0.971,1211 1.969,1212 1.441,1213 1.384,1214 1.597,1215 1.664,1216 0.715,1217 1.648,1218 1.339,1219 1.306,1220 1.528,1221 1.537,1222 0.63,1223 1.515,1224 1.251,1225 1.227,1226 1.442,1227 1.433,1228 0.555,1229 1.444,1230 1.074,1231 1.012,1232 1.284,1233 1.381,1234 0.245,1235 1.363,1236 4.489,1238 5.832,1240 7.367,1241 2.708,1242 8.991,1243 5.38,1244 10.661,1250 11.75,1251 9.103,1252 0.738,1254 6.041,1257 2.17,1262 42.509,1263 99.83,1264 243.049,1265 300.352,1266 340.405,1267 351.16,1268 353.16,1269 60.806,1270 9.24,1271 155.06,1272 155.06,1273 37,1274 13.001,1275 5,1276 4.129,1277 55.178,1278 193,1279 236,1280 0.134,1281 257.298,1282 442.73,1283 619.568,1284 170563,1286 26.932,1287 0.691,1288 0.53,1289 26.932,1290 20.652,1291 18.941,1292 0.43,1293 0.276,1294 11.959,1295 18.255,1296 11.738,1297 9.694,1298 18.941,1299 12.128,1300 17.547,1301 0.279,1302 0.143,1303 17.547,1304 8.99,1305 14.916,1306 0.175,1307 0.075,1308 14.916,1309 6.387,1310 12.781,1311 0.112,1312 0.039,1313 12.781,1314 4.487,1315 10.903,1316 0.071,1317 0.021,1318 10.903,1319 3.212,1320 0.213,1321 118.501,1322 0.183,1323 35.27,1324 0.363,1325 214,1326 634.471,1327 234.932,1328 622.317,1329 862.88,1330 582,1331 255,1332 652.248,1333 275.798,1334 662.66,1335 973.17,1336 624,1337 6.237}
{0 CHEMBL79465,1 1.631,2 9.846,3 2.1,4 4.41,5 104.541,6 7.295,7 0.429,8 3.997,9 4.144,10 3.534,11 3.43,12 5.15,13 3.426,14 4.531,15 4.739,16 3.895,17 3.833,18 5.718,19 3.807,20 4.763,21 4.983,22 3.996,23 4.041,24 5.784,25 3.989,26 4.898,27 5.12,28 4.042,29 4.112,30 5.995,31 4.035,32 4.981,33 5.229,34 3.981,35 4.079,36 6.074,37 4.004,38 4.945,39 5.205,40 3.839,41 3.924,42 6.07,43 3.843,44 4.725,45 4.979,46 3.758,47 3.668,48 6.071,49 3.615,50 4.445,51 4.662,52 3.507,53 3.499,54 5.676,55 3.464,56 0.167,57 0.778,58 10.741,59 3.559,60 14.562,61 5.567,62 0.401,63 1.178,64 20.129,65 6.192,66 53.165,67 9.606,68 0.35,69 1.432,70 25.51,71 7.955,72 29.404,73 12.433,74 0.411,75 1.526,76 29.619,77 9.782,78 49.475,79 15.011,80 0.495,81 1.514,82 33.598,83 8.876,84 68.468,85 14.644,86 0.685,87 1.295,88 33.987,89 8.644,90 92.709,91 13.694,92 0.875,93 0.998,94 27.786,95 6.677,96 114.256,97 10.686,98 0.397,99 0.839,100 19.832,101 4.891,102 53.675,103 7.635,104 41,105 40,106 0.277,107 0.609,108 0.766,109 0.824,110 0.824,111 0.824,112 3.305,113 0.916,114 -3.85,115 -3.81,116 -3.62,119 34.7,120 1,121 1,124 1,125 4,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 5,172 3,173 3,175 1,178 5,180 1,181 2,182 9,187 1,189 4,191 1,192 2,193 12,195 1,196 1,197 1,198 5,200 2,201 3,204 5,205 1,207 9,212 4,215 3,218 4,220 3,221 3,223 1,224 1,226 2,229 1,231 2,233 8,234 5,236 3,237 3,239 1,243 1,246 4,248 1,249 1,262 3,263 3,273 904,274 17.162,275 17.162,276 17.162,277 17.162,278 17.162,279 15.393,280 24.978,281 9.871,282 17.619,283 13.721,284 13.721,285 13.721,286 13.721,287 13.721,288 10.977,289 34.27,290 4.56,291 14.449,292 3.983,293 2.031,294 1.107,295 0.766,296 0.766,297 0.766,298 3.98,300 1,301 1,302 1,303 538,304 2.915,307 260.842,314 1.562,315 31.253,317 1,318 1,319 0.83,320 1,321 1,322 0.5,323 1,324 1,325 0.9,326 57.5,327 256,328 4.57,329 3.816,330 6.791,331 4.18,332 3.206,333 4.306,334 2.612,335 11.156,336 3.127,337 4.378,338 3.237,339 6.614,340 3.982,341 3.026,342 4.042,343 0.8,344 10.51,345 2.891,346 3.739,347 3.11,348 5.625,349 3.455,350 2.522,351 3.179,352 0.8,353 7.343,354 2.348,355 3.692,356 2.657,357 5.313,358 3.227,359 2.29,360 2.977,362 6.613,363 2.149,364 3.366,365 2.414,366 5.038,367 3.067,368 2.138,369 2.556,371 5.9,372 1.984,373 3.299,374 2.229,375 5.009,376 2.935,377 1.987,378 2.496,380 5.703,381 1.879,382 3.157,383 2.039,384 4.774,385 2.752,386 1.803,387 2.299,389 5.009,390 1.704,391 2.664,392 1.673,393 4.286,394 2.301,395 1.341,396 1.65,398 3.687,399 1.283,400 2.557,401 1.251,402 3.61,403 2,404 1,405 1.564,407 2.423,408 1,409 2,410 1.146,411 3.414,412 1.967,413 1,414 1,415 2.275,416 0.965,417 1.721,418 1,419 3.331,420 1.535,421 0.553,422 0.623,423 1.069,424 0.542,425 1.34,426 0.67,427 2.768,428 1.062,429 0.108,430 0.126,431 0.222,432 0.103,433 1.041,434 0.24,435 2.63,436 0.79,437 -0.161,438 -0.18,439 -0.378,440 -0.152,441 1,442 0.013,443 2.404,444 0.44,445 -0.477,446 -0.586,448 -1.146,449 -0.436,450 0.825,451 -0.305,452 2.258,453 0.373,454 -0.583,455 -0.714,457 -1.477,458 -0.556,459 11.967,460 0.46,461 0.771,462 0.03,463 34.25,464 1.317,465 16.5,466 0.635,467 17.75,468 0.683,469 21.195,470 0.815,471 29.433,472 0.601,473 27.245,474 1.048,475 6.633,476 0.255,477 5.768,478 0.222,479 0.206,481 0.393,485 0.648,486 1.525,487 0.814,488 1.16,489 0.673,490 1.027,491 0.652,492 1.007,493 0.763,494 0.885,495 0.315,496 0.836,497 0.797,498 1.072,499 0.917,500 1.016,501 0.521,502 0.977,503 0.662,504 1.267,505 0.906,506 1.268,507 0.684,508 1.159,509 1.082,510 1.141,511 1.057,512 1.112,513 1.013,514 1.071,515 1.343,516 0.938,517 1.068,518 1.004,519 1.586,520 1,521 1.1,522 0.788,523 0.894,524 0.836,525 1.477,526 0.853,527 1.735,528 1.166,529 1.208,530 1.119,531 1.872,532 1.089,533 6,534 0.148,535 3.333,536 2.563,537 1.84,538 1.215,539 0.971,540 0.549,541 0.271,542 0.122,543 6934,544 19238,545 1.992,546 46.9,547 3,548 14,551 4,552 2,555 1.696,556 1.814,557 3.241,558 1.811,559 1,560 1,564 79.941,565 1.631,566 3.584,567 4.507,568 4.849,569 4.849,570 4.849,571 2.738,572 3.796,573 4.67,574 3.386,575 1100.56,576 8.121,577 13277,579 1,581 1,582 275.121,583 1.549,584 4.601,585 0.214,586 0.012,587 0.083,588 0.058,589 0.042,590 0.03,591 0.029,592 0.018,593 0.011,594 0.007,595 0.506,596 0.17,597 1,598 0.954,599 125.155,600 0.104,601 -0.172,602 0.047,603 -0.011,604 -0.058,605 0.003,606 0.158,607 0.174,608 0.155,609 0.176,610 0.289,611 0.171,612 -0.069,613 0.08,614 -0.008,615 0.055,616 0.014,617 0.045,618 0.108,619 -0.191,620 0.011,621 -0.173,622 0.073,623 -0.114,624 -0.154,625 -0.125,626 -0.093,627 -0.123,628 -0.092,629 -0.089,630 -0.123,631 -0.032,632 -0.048,633 -0.059,634 -0.204,635 -0.045,636 0.334,637 0.088,638 0.162,639 0.075,640 0.174,641 0.074,642 -0.299,643 -0.174,644 -0.19,645 -0.154,646 -0.209,647 -0.154,648 2.35,649 4.692,650 0.692,651 21.42,652 1.009,653 1.148,654 2.621,655 6.868,656 0.633,657 3.367,658 3.714,659 3.989,660 4.277,661 4.511,662 4.575,663 4.691,664 4.771,665 4.82,666 4.796,667 5.74,668 0.608,669 357.47,670 3.367,671 4.92,672 5.778,673 6.673,674 7.552,675 8.452,676 9.339,677 10.24,678 11.131,679 12.033,680 14.3,683 1,684 2,686 1,690 2,691 1,695 3,696 2,700 7,702 12,711 2,713 1,714 1,718 49,719 14,720 1,721 28,723 51,724 17,725 10,726 3,727 3,729 3,730 3,734 1,739 1,741 10,742 7,744 2,746 1,748 2,753 1,754 1,757 23,758 8,759 4,760 9,764 7,769 1,770 2,776 1,781 3,799 1,802 3,806 2,810 26,811 2,816 5,821 2,829 4.1,835 2,836 14.333,837 9.25,838 5.75,839 2.953,840 2.42,841 1.339,842 0.97,843 5.368,844 9.556,845 3.611,846 4.22,847 4.766,848 5.357,849 5.899,850 6.211,851 6.608,852 6.923,853 7.27,854 7.476,855 0.857,856 44,857 9.609,859 4.083,860 7.929,861 18.072,863 14.637,865 2.429,866 63.167,870 223.651,871 75.476,872 111.284,874 50.747,877 75.476,878 274.398,879 111.284,880 22.892,881 10.957,882 94.223,883 33.571,884 20.89,885 4.227,886 223.651,887 50.747,888 223.651,889 186.76,890 50.747,893 223.651,895 50.747,897 27.563,898 119.956,899 39.241,901 223.651,902 162.031,903 75.476,906 223.651,907 29.826,908 57.569,910 150.112,911 223.651,912 162.031,913 75.476,915 0.587,916 0.348,917 0.194,918 0.111,919 19,920 10,921 0.078,922 4,924 1,925 3.58,926 222.683,928 18,929 114.211,933 18.516,934 7.538,935 3.803,937 156.361,938 5.178,939 8.237,943 2.933,945 65.794,946 461.158,947 36,949 -0.35,951 23.384,956 49.436,957 56.229,958 0.291,959 0.638,960 0.803,961 0.864,962 0.864,963 0.864,964 4.868,965 1.341,966 5.79,967 5.009,968 4.394,969 4.905,970 2.648,971 6.637,972 4.299,973 6.088,974 1,975 7.377,976 3.687,977 4.111,978 4.879,979 2.431,980 7.633,981 3.962,982 7.413,983 1,984 9.063,985 2.423,986 6.023,987 7.115,988 4.169,989 10.743,990 5.844,991 8.772,992 0.553,993 10.806,994 2.275,995 6.509,996 7.864,997 4.513,998 12.562,999 6.292,1000 10.161,1001 0.108,1002 12.587,1003 1.069,1004 7.941,1005 9.637,1006 5.949,1007 15.212,1008 7.696,1009 11.572,1010 -0.161,1011 14.394,1012 0.222,1013 8.781,1014 10.741,1015 6.557,1016 17.374,1017 8.51,1018 13.001,1019 -0.477,1020 16.222,1021 -0.378,1022 10.03,1023 12.331,1024 7.794,1025 19.861,1026 9.731,1027 3.206,1028 -0.583,1029 18.065,1030 -1.146,1031 11.036,1032 13.606,1033 8.548,1034 22.163,1035 10.714,1036 3.026,1037 11.156,1038 19.921,1039 -1.477,1040 12.215,1041 15.117,1042 9.67,1043 24.591,1044 11.867,1045 2.522,1046 10.51,1047 21.786,1048 4.306,1049 13.298,1050 16.475,1051 10.509,1052 26.948,1053 12.927,1054 2.29,1055 7.343,1056 23.66,1057 4.042,1058 14.452,1059 17.95,1060 11.563,1061 29.355,1062 14.056,1063 2.138,1064 6.613,1065 25.54,1066 3.179,1067 15.569,1068 19.35,1069 12.452,1070 31.734,1071 15.15,1072 1.987,1073 5.9,1074 27.425,1075 2.977,1076 16.717,1077 20.808,1078 13.468,1079 34.133,1080 16.273,1081 1.803,1082 5.703,1083 29.314,1084 2.556,1085 17.85,1086 22.23,1087 14.386,1088 36.522,1089 17.383,1090 6909,1091 11674,1092 17.918,1093 31.04,1094 42.109,1095 43.386,1096 44.754,1097 42.042,1098 41.949,1099 53.635,1100 8.425,1101 123.82,1102 39.951,1103 5.57,1104 5.816,1105 6.313,1106 5.251,1107 5.206,1108 7.306,1109 4.612,1110 18.197,1111 5.127,1112 15.832,1113 1.504,1114 1.549,1115 1.598,1116 1.502,1117 1.498,1118 1.916,1119 0.301,1120 4.422,1121 1.427,1122 4.067,1123 4.101,1124 4.035,1125 3.954,1126 7.815,1127 3.966,1128 3.854,1129 3.914,1130 3.814,1131 3.672,1132 6.999,1133 3.695,1134 3.749,1135 3.81,1136 3.649,1137 3.535,1138 5.285,1139 3.547,1140 3.457,1141 3.495,1142 3.414,1143 3.195,1144 4.98,1145 3.19,1146 3.39,1147 3.474,1148 3.204,1149 3.032,1150 4.685,1151 3.124,1152 3.197,1153 3.3,1154 3.051,1155 2.944,1156 4.423,1157 2.956,1158 3.111,1159 3.206,1160 2.903,1161 2.941,1162 4.323,1163 2.91,1164 3.067,1165 3.189,1166 2.866,1167 2.787,1168 3.966,1169 2.798,1170 0.163,1171 0.136,1172 0.243,1173 0.149,1174 0.115,1175 4.57,1176 0.154,1177 3.816,1178 0.093,1179 6.791,1180 0.398,1181 4.18,1182 0.112,1183 3.206,1184 4.306,1185 2.612,1186 11.156,1187 3.127,1188 1.987,1189 1.961,1190 2.069,1191 2.135,1192 1.313,1193 2.109,1194 1.786,1195 1.729,1196 1.96,1197 1.995,1198 1.179,1199 1.985,1200 1.667,1201 1.605,1202 1.85,1203 1.919,1204 1.012,1205 1.878,1206 1.385,1207 1.301,1208 1.626,1209 1.645,1210 0.825,1211 1.659,1212 1.186,1213 1.152,1214 1.532,1215 1.615,1216 0.666,1217 1.536,1218 1.169,1219 1.066,1220 1.513,1221 1.455,1222 0.582,1223 1.48,1224 1.153,1225 1.064,1226 1.286,1227 1.376,1228 0.253,1229 1.429,1230 0.98,1231 0.885,1232 1.257,1233 1.359,1234 0.213,1235 1.345,1236 4.043,1238 5.38,1240 6.919,1242 8.554,1244 10.239,1246 3.975,1250 11.707,1252 3.851,1257 4.252,1262 29.794,1263 79.941,1264 175.611,1265 220.856,1266 237.611,1267 237.611,1268 237.611,1269 53.563,1270 7.136,1271 130.12,1272 130.12,1273 18,1274 12.556,1275 3.907,1276 3.17,1277 44.117,1278 91,1279 96,1280 0.248,1281 186.721,1282 319.88,1283 447.359,1284 10402,1286 18.845,1287 0.725,1288 0.576,1289 18.845,1290 14.975,1291 12.401,1292 0.443,1293 0.305,1294 8.387,1295 11.741,1296 8.164,1297 6.789,1298 12.401,1299 8.545,1300 11.464,1301 0.287,1302 0.16,1303 11.464,1304 6.393,1305 9.267,1306 0.175,1307 0.088,1308 9.267,1309 4.669,1310 7.993,1311 0.113,1312 0.046,1313 7.993,1314 3.257,1315 6.523,1316 0.072,1317 0.026,1318 6.523,1319 2.303,1320 0.379,1321 78.971,1322 0.236,1323 24.635,1324 0.715,1325 136,1326 420.321,1327 152.723,1328 407.662,1329 550.53,1330 376,1331 161,1332 415.266,1333 177.893,1334 415.112,1335 603.59,1336 388,1337 5.409}
{0 CHEMBL79883,1 1.443,2 9.217,3 0.923,4 0.852,5 96.622,6 6.814,7 0.48,8 3.925,9 4.09,10 3.402,11 3.376,12 5.009,13 3.357,14 4.444,15 4.66,16 3.755,17 3.775,18 5.46,19 3.723,20 4.696,21 4.942,22 3.844,23 3.954,24 5.64,25 3.879,26 4.739,27 4.969,28 3.847,29 4.012,30 5.738,31 3.914,32 4.85,33 5.104,34 3.739,35 4.014,36 5.85,37 3.888,38 4.874,39 5.187,40 3.507,41 3.858,42 5.792,43 3.679,44 4.6,45 4.934,46 3.194,47 3.535,48 5.417,49 3.359,50 4.222,51 4.508,52 3.134,53 3.312,54 5.1,55 3.194,56 0.075,57 0.739,58 10.915,59 3.281,60 12.658,61 5.454,62 0.228,63 1.114,64 19.051,65 5.997,66 24.052,67 9.553,68 0.287,69 1.33,70 25.013,71 7.308,72 25.835,73 12.082,74 0.203,75 1.392,76 25.611,77 8.489,78 30.961,79 13.481,80 0.274,81 1.426,82 29.316,83 8.312,84 47.233,85 14.102,86 0.399,87 1.233,88 31.107,89 8.68,90 60.347,91 14.627,92 0.355,93 0.893,94 24.015,95 6.212,96 39.363,97 10.754,98 0.166,99 0.71,100 15.846,101 4.289,102 22.196,103 7.415,104 18,105 35,106 0.251,107 0.597,108 0.752,109 0.836,110 0.836,111 0.836,112 3.189,113 0.945,114 -3,115 -3,116 -2.89,119 34.8,120 1,121 1,125 4,139 3,140 2,141 2,143 1,144 1,147 1,157 3,158 3,159 3,166 5,169 1,170 4,172 3,173 3,175 2,178 5,180 2,182 5,184 1,185 2,187 3,189 4,191 3,193 6,195 1,196 1,197 1,198 7,200 2,201 3,204 7,205 1,207 4,212 5,215 3,218 4,223 2,224 2,225 2,226 5,228 3,229 1,231 3,232 1,233 2,234 1,236 1,237 1,239 3,243 2,246 1,250 1,251 1,253 2,258 1,262 1,263 1,273 667,274 15.508,275 15.508,276 15.508,277 15.508,278 15.508,279 13.99,280 22.995,281 9.098,282 15.886,283 12.271,284 12.271,285 12.271,286 12.271,287 12.271,288 9.93,289 31.644,290 4.213,291 12.894,292 4.08,293 2.087,294 1.196,295 0.712,296 0.712,297 0.712,298 3.867,301 1,302 1,303 451,304 2.236,307 225.333,314 1.512,315 19.325,318 0.75,319 0.83,320 0.83,321 0.9,322 1,323 0.83,324 1,325 0.88,326 49.5,327 212,328 4.538,329 3.281,330 6.773,331 4.157,332 3.181,333 4.257,334 0.8,335 11.084,336 3.108,337 4.249,338 3.159,339 6.444,340 3.907,341 2.957,342 3.831,343 0.4,344 9.922,345 2.811,346 3.681,347 2.507,348 5.398,349 3.312,350 2.371,351 3.045,353 6.928,354 2.229,355 3.326,356 2.268,357 5.056,358 3.035,359 2.099,360 2.554,362 5.843,363 1.958,364 3.286,365 2.209,366 5.035,367 2.928,368 1.981,369 2.477,371 5.682,372 1.873,373 3.027,374 1.869,375 4.708,376 2.662,377 1.708,378 2.171,380 4.749,381 1.624,382 2.768,383 1.716,384 4.031,385 2.443,386 1.49,387 1.841,389 3.512,390 1.418,391 2.279,392 1.263,393 3.512,394 2.059,395 1.109,396 1.261,398 2.638,399 1.05,400 2,401 1.146,402 3.312,403 1.967,404 1,405 1,407 2.136,408 0.965,409 1.712,410 0.659,411 3.247,412 1.524,413 0.543,414 0.613,415 1.037,416 0.532,417 1.33,418 0.204,419 2.758,420 1.034,421 0.085,422 0.1,423 0.18,424 0.08,425 1.068,426 -0.023,427 2.59,428 0.745,429 -0.199,430 -0.238,431 -0.487,432 -0.187,433 0.826,434 -0.305,435 2.408,436 0.439,437 -0.478,438 -0.587,439 -1.148,440 -0.437,441 0.69,442 -0.541,443 2.255,444 0.304,445 -0.665,446 -0.788,448 -1.636,449 -0.642,450 0.268,451 -0.6,452 2.051,453 0.108,454 -0.849,455 -0.95,457 -1.906,458 -0.81,459 10.8,460 0.47,461 0.575,462 0.025,463 29.5,464 1.283,465 14,466 0.609,467 15.5,468 0.674,469 18.352,470 0.798,471 25.8,472 0.561,473 21.151,474 0.92,475 5.66,476 0.246,477 5.437,478 0.236,479 0.157,481 0.361,485 1.272,486 1.429,487 0.946,488 1.067,489 1.377,490 0.974,491 0.832,492 1.094,493 0.848,494 0.995,495 0.459,496 0.934,497 1.08,498 0.989,499 0.941,500 0.904,501 0.805,502 0.902,503 0.784,504 1.27,505 1.006,506 1.26,507 0.701,508 1.179,509 1.195,510 1.262,511 1.239,512 1.273,513 1.463,514 1.264,515 0.818,516 0.93,517 0.979,518 1.027,519 1.003,520 1.027,521 0.92,522 0.71,523 0.892,524 0.775,525 1.071,526 0.822,527 0.928,528 1.114,529 0.906,530 1.014,531 0.858,532 0.965,533 4.5,534 0.082,535 2.667,536 2.375,537 1.409,538 0.868,539 0.603,540 0.321,541 0.144,542 0.1,543 5243,544 12303,545 2.041,546 50,547 3,548 11,551 7,552 2,555 1.659,556 1.89,557 3.155,558 4.573,560 1,564 66.39,565 1.443,566 3.436,567 4.327,568 4.811,569 4.811,570 4.811,571 2.707,572 4.263,573 4.495,574 3.302,575 835.487,576 7.748,577 9267.15,579 1,582 254.084,583 1.478,584 4.443,585 0.18,586 0.008,587 0.076,588 0.063,589 0.038,590 0.028,591 0.026,592 0.019,593 0.008,594 0.007,595 0.453,596 0.33,597 1,598 0.832,599 106.357,600 -0.21,601 -0.084,602 0.015,603 0.065,604 -0.267,605 0.072,606 0.156,607 0.092,608 0.117,609 0.084,610 0.249,611 0.093,612 -0.078,613 0.116,614 0.031,615 0.131,616 -0.013,617 0.101,618 0.027,619 -0.153,620 -0.065,621 -0.159,622 0.143,623 -0.13,624 -0.227,625 -0.199,626 -0.275,627 -0.254,628 -0.255,629 -0.269,630 0.1,631 -0.053,632 -0.002,633 -0.079,634 0.065,635 -0.059,636 0.073,637 0.115,638 0.103,639 0.124,640 -0.049,641 0.119,642 0.034,643 -0.16,644 0.073,645 -0.041,646 0.072,647 0.013,648 1.464,649 2.293,650 0.783,651 17.739,652 0.995,653 1.148,654 1.767,655 3.121,656 0.633,657 3.258,658 3.584,659 3.871,660 4.159,661 4.344,662 4.369,663 4.443,664 4.543,665 4.522,666 4.554,667 5.432,668 0.595,669 313.46,670 3.258,671 4.796,672 5.652,673 6.541,674 7.414,675 8.308,676 9.187,677 10.083,678 10.964,679 11.862,680 15.2,682 1,684 3,686 1,690 2,695 3,696 2,700 7,702 12,711 3,714 1,718 46,719 12,720 1,721 25,723 48,724 16,725 10,726 3,727 3,729 3,730 3,734 1,739 1,741 10,742 6,753 1,754 1,757 23,758 7,759 7,760 7,764 7,769 1,776 1,781 3,798 1,802 3,806 1,810 23,811 3,816 5,817 1,821 1,836 12.167,837 8.1,838 5.139,839 2.769,840 2.333,841 1.338,842 1.007,843 4.661,844 9.229,845 3.466,846 4.06,847 4.64,848 5.226,849 5.745,850 6.018,851 6.343,852 6.7,853 6.934,854 7.193,855 1,856 38,857 8.466,859 3.538,860 7.659,861 16.327,863 13.32,865 2.159,866 49.667,870 188.338,871 67.08,872 153.398,877 67.08,878 188.338,879 153.398,880 8.825,881 10.957,882 145.131,883 33.571,884 17.766,885 4.227,886 188.338,888 188.338,889 220.477,893 188.338,897 42.449,898 144.457,899 33.571,901 188.338,902 153.398,903 67.08,906 188.338,907 29.826,908 40.378,909 18.011,910 132.263,911 188.338,912 153.398,913 67.08,915 0.579,916 0.35,917 0.202,918 0.107,919 17,920 8,921 0.063,922 3,924 1,925 3.421,926 185.686,928 18,929 100.042,933 15.992,934 6.703,935 3.244,937 153.398,938 6.019,939 8.383,943 4.975,945 116.702,946 408.815,947 31,956 45.781,957 52.81,958 0.261,959 0.622,960 0.783,961 0.871,962 0.871,963 0.871,964 4.71,965 1.109,966 5.645,967 3.512,968 4.263,969 4.745,970 0.824,971 6.482,972 4.171,973 5.912,974 1,975 7.22,976 2.638,977 3.892,978 4.62,979 0.325,980 7.448,981 3.757,982 7.226,983 0.543,984 8.898,985 2.136,986 5.872,987 6.938,988 0.413,989 10.575,990 5.704,991 8.577,992 0.085,993 10.637,994 1.037,995 6.312,996 7.612,997 0.268,998 12.382,999 6.114,1000 9.961,1001 -0.199,1002 12.416,1003 0.18,1004 7.78,1005 9.439,1006 0.246,1007 15.03,1008 7.551,1009 11.368,1010 -0.478,1011 14.222,1012 -0.487,1013 8.6,1014 10.488,1015 0.188,1016 17.18,1017 8.349,1018 12.794,1019 -0.665,1020 16.049,1021 -1.148,1022 9.864,1023 12.107,1024 0.157,1025 19.66,1026 9.585,1027 3.181,1028 -0.849,1029 17.891,1030 -1.636,1031 10.861,1032 13.343,1033 0.125,1034 21.949,1035 10.56,1036 2.957,1037 11.084,1038 19.745,1039 -1.906,1040 12.044,1041 14.865,1042 0.102,1043 24.368,1044 11.717,1045 2.371,1046 9.922,1047 21.609,1048 4.257,1049 13.12,1050 16.195,1051 0.082,1052 26.714,1053 12.771,1054 2.099,1055 6.928,1056 23.48,1057 3.831,1058 14.273,1059 17.672,1060 0.067,1061 29.111,1062 13.9,1063 1.981,1064 5.843,1065 25.357,1066 3.045,1067 15.384,1068 19.051,1069 0.054,1070 31.482,1071 14.989,1072 1.708,1073 5.682,1074 27.238,1075 2.554,1076 16.528,1077 20.506,1078 0.043,1079 33.873,1080 16.11,1081 1.49,1082 4.749,1083 29.123,1084 2.477,1085 17.655,1086 21.911,1087 0.035,1088 36.255,1089 17.215,1090 5159,1091 8010,1092 16.414,1093 29.131,1094 37.112,1095 37.146,1096 39.035,1097 37.111,1098 37.045,1099 46.303,1100 2.4,1101 107.418,1102 35.298,1103 5.538,1104 5.281,1105 6.575,1106 5.227,1107 5.181,1108 7.257,1109 1.2,1110 18.04,1111 5.108,1112 11.711,1113 1.484,1114 1.486,1115 1.561,1116 1.484,1117 1.482,1118 1.852,1119 0.096,1120 4.297,1121 1.412,1122 4.031,1123 4.071,1124 3.991,1125 3.941,1126 5.288,1127 3.948,1128 3.831,1129 3.897,1130 3.769,1131 3.659,1132 5.096,1133 3.678,1134 3.667,1135 3.734,1136 3.553,1137 3.495,1138 4.978,1139 3.5,1140 3.392,1141 3.485,1142 3.204,1143 3.191,1144 4.546,1145 3.183,1146 3.126,1147 3.233,1148 3.02,1149 2.941,1150 4.419,1151 2.91,1152 3.111,1153 3.206,1154 2.866,1155 2.88,1156 4.306,1157 2.906,1158 3.02,1159 3.133,1160 2.859,1161 2.799,1162 3.966,1163 2.8,1164 2.95,1165 3.063,1166 2.8,1167 2.634,1168 3.733,1169 2.664,1170 0.182,1171 0.131,1172 0.271,1173 0.166,1174 0.127,1175 4.538,1176 0.17,1177 3.281,1178 0.032,1179 6.773,1180 0.443,1181 4.157,1182 0.124,1183 3.181,1184 4.257,1185 0.8,1186 11.084,1187 3.108,1188 1.974,1189 1.946,1190 2.062,1191 2.093,1192 1.284,1193 2.086,1194 1.772,1195 1.714,1196 1.947,1197 1.983,1198 1.167,1199 1.973,1200 1.633,1201 1.567,1202 1.838,1203 1.823,1204 0.995,1205 1.827,1206 1.381,1207 1.295,1208 1.619,1209 1.633,1210 0.825,1211 1.653,1212 1.153,1213 1.064,1214 1.513,1215 1.384,1216 0.609,1217 1.429,1218 1.036,1219 0.953,1220 1.29,1221 1.376,1222 0.339,1223 1.367,1224 0.971,1225 0.887,1226 1.262,1227 1.298,1228 0.189,1229 1.3,1230 0.868,1231 0.752,1232 1.186,1233 1.213,1234 0.126,1235 1.213,1236 3.932,1238 5.252,1240 6.786,1242 8.418,1244 10.1,1246 2.017,1250 18.057,1252 4.583,1253 3.342,1257 2.291,1262 27.364,1263 66.39,1264 158.062,1265 199.064,1266 221.329,1267 221.329,1268 221.329,1269 33.659,1270 6.896,1271 119.11,1272 119.11,1273 18,1274 12.389,1275 3.7,1276 2.807,1277 36.779,1278 75,1279 73,1280 0.248,1281 172.063,1282 287.64,1283 411.595,1284 7931,1286 16.397,1287 0.713,1288 0.58,1289 16.397,1290 13.341,1291 11.097,1292 0.444,1293 0.315,1294 7.761,1295 10.683,1296 7.584,1297 6.302,1298 11.097,1299 7.872,1300 9.912,1301 0.283,1302 0.162,1303 9.912,1304 5.653,1305 8.281,1306 0.176,1307 0.088,1308 8.281,1309 4.138,1310 7.388,1311 0.117,1312 0.048,1313 7.388,1314 3.02,1315 5.675,1316 0.075,1317 0.026,1318 5.675,1319 2.009,1320 0.38,1321 69.337,1322 0.247,1323 22.296,1324 0.706,1325 120,1326 295.205,1327 131.212,1328 296.931,1329 417.79,1330 278,1331 142,1332 323.113,1333 153.074,1334 329.104,1335 483.06,1336 311,1337 4.602}
{0 CHEMBL79890,1 1.522,2 10.565,3 3.345,4 11.188,5 93.52,6 6.733,7 0.5,8 3.921,9 4.06,10 3.381,11 3.372,12 5.019,13 3.349,14 4.437,15 4.635,16 3.665,17 3.711,18 5.468,19 3.654,20 4.624,21 4.845,22 3.713,23 3.826,24 5.575,25 3.751,26 4.69,27 4.925,28 3.626,29 3.838,30 5.653,31 3.732,32 4.7,33 4.954,34 3.591,35 3.822,36 5.603,37 3.699,38 4.653,39 4.912,40 3.62,41 3.741,42 5.606,43 3.642,44 4.55,45 4.776,46 3.534,47 3.668,48 5.563,49 3.574,50 4.522,51 4.781,52 3.268,53 3.601,54 5.444,55 3.458,56 0.044,57 0.669,58 10.999,59 4.043,60 11.6,61 5.851,62 0.256,63 0.971,64 19.409,65 6.91,66 29.172,67 9.687,68 0.219,69 1.113,70 23.553,71 7.633,72 27.556,73 11.423,74 0.334,75 1.141,76 25.475,77 8.203,78 41.307,79 12.136,80 0.336,81 1.121,82 25.693,83 8.41,84 36.701,85 12.73,86 0.387,87 1.046,88 24.816,89 7.598,90 40.049,91 11.671,92 0.398,93 0.971,94 22.36,95 6.781,96 38.897,97 10.255,98 0.304,99 0.936,100 21.639,101 6.367,102 36.437,103 10.086,104 25,105 31,106 0.264,107 0.597,108 0.803,109 0.871,110 0.878,111 0.878,112 3.188,113 0.975,114 -4,115 -3.95,116 -3.74,119 36.2,120 1,121 4,124 1,125 1,139 3,140 2,141 2,142 1,144 1,147 1,157 2,158 2,159 2,166 7,169 1,170 7,172 3,173 3,175 1,178 6,180 1,182 8,187 1,189 5,191 1,193 5,195 1,196 1,197 1,198 2,200 2,201 4,204 2,205 1,206 1,207 4,212 2,215 5,218 2,220 2,221 2,223 1,224 1,226 2,229 5,231 2,233 2,234 3,236 1,237 1,239 2,241 6,243 2,246 1,248 1,249 1,251 1,254 4,256 1,260 3,262 1,263 1,265 2,268 2,270 2,273 843,274 15.585,275 15.585,276 15.585,277 15.585,278 15.585,279 14.032,280 19.989,281 9.576,282 16.074,283 11.758,284 11.758,285 11.758,286 11.758,287 11.758,288 9.405,289 26.407,290 4.46,291 12.452,292 4.032,293 2.117,294 0.931,295 0.543,296 0.5,297 0.5,298 3.852,300 1,301 1,302 1,303 494,304 3.162,307 160.478,314 1.671,315 19.635,316 1,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 50,327 243,328 4.331,329 3.264,330 6.251,331 3.951,332 2.98,333 3.975,334 0.86,335 9.444,336 2.894,337 4.161,338 2.951,339 5.984,340 3.715,341 2.765,342 3.813,343 0.86,344 8.479,345 2.627,346 3.571,347 2.732,348 5.253,349 3.202,350 2.282,351 2.883,352 0.68,353 6.647,354 2.09,355 3.44,356 2.324,357 4.963,358 3.023,359 2.101,360 2.746,362 5.821,363 1.93,364 2.928,365 1.957,366 4.42,367 2.702,368 1.715,369 2.074,371 4.275,372 1.691,373 2.774,374 1.804,375 4.075,376 2.544,377 1.595,378 1.889,380 3.506,381 1.509,382 2.742,383 1.499,384 3.725,385 2.294,386 1.346,387 1.745,389 3.361,390 1.271,391 2.136,392 1.322,393 3.18,394 2.018,395 1.074,396 1.121,398 1.984,399 1.004,400 1.847,401 1.05,402 3.082,403 1.58,404 0.671,405 0.765,407 1.263,408 0.603,409 1.553,410 0.615,411 2.759,412 1.267,413 0.334,414 0.393,415 0.716,416 0.31,417 1.251,418 0.427,419 2.437,420 1.098,421 0.178,422 0.188,423 0.282,424 0.163,425 0.956,426 0.077,427 2.359,428 0.637,429 -0.297,430 -0.349,431 -0.556,432 -0.275,433 0.796,434 -0.254,435 2.241,436 0.444,437 -0.509,438 -0.589,439 -1.142,440 -0.465,441 0.719,442 -0.314,443 2.118,444 0.391,445 -0.521,446 -0.621,448 -1.243,449 -0.492,450 0.369,451 -0.678,452 1.72,453 0.044,454 -0.912,455 -1.024,457 -1.871,458 -0.863,459 10.767,460 0.468,461 0.451,462 0.02,463 28.5,464 1.239,465 14,466 0.609,467 14.5,468 0.63,469 18.461,470 0.803,471 26.433,472 0.562,473 19.67,474 0.855,475 5.49,476 0.239,477 5.645,478 0.245,479 0.167,481 0.279,485 1.012,486 1.386,487 0.928,488 1.228,489 1.179,490 1.078,491 1.066,492 0.96,493 0.897,494 1.031,495 0.664,496 0.969,497 1.174,498 1.144,499 0.961,500 1.067,501 0.897,502 0.997,503 1.219,504 0.995,505 1.114,506 1.08,507 1.08,508 1.088,509 0.862,510 1.057,511 0.948,512 1.068,513 0.861,514 1.031,515 0.915,516 0.966,517 0.835,518 0.934,519 0.781,520 0.887,521 1.236,522 1.143,523 1.08,524 1.094,525 0.938,526 1.086,527 1.092,528 1.084,529 1.229,530 1.138,531 1.234,532 1.189,533 4.5,534 0.07,535 2.222,536 1.125,537 1.227,538 0.611,539 0.467,540 0.335,541 0.222,542 0.117,543 5276,544 13014,545 1.971,546 51.1,547 9,548 8,550 1,551 4,553 2,555 1.659,556 1.84,557 3.347,558 1.822,559 1,560 1,564 71.54,565 1.522,566 3.437,567 4.623,568 5.012,569 5.054,570 5.054,571 2.893,572 4.437,573 4.486,574 3.491,575 883.197,576 7.738,577 10291.9,579 1,581 1,582 261.066,583 1.41,584 4.449,585 0.188,586 0.007,587 0.072,588 0.035,589 0.044,590 0.023,591 0.017,592 0.013,593 0.012,594 0.008,595 0.419,596 0.17,597 1,598 1.729,599 108.678,600 -0.083,601 -0.074,602 0.027,603 -0.044,604 -0.151,605 0.009,606 0.066,607 0.148,608 0.088,609 0.054,610 0.223,611 0.061,612 -0.1,613 -0.09,614 0.021,615 -0.02,616 -0.014,617 0.015,618 -0.109,619 0.032,620 -0.127,621 -0.063,622 -0.07,623 -0.095,624 0.073,625 -0.084,626 0.017,627 -0.045,628 0.007,629 -0.024,630 0.158,631 -0.008,632 0.155,633 0.05,634 0.171,635 0.094,636 0.049,637 -0.137,638 -0.071,639 -0.09,640 0.09,641 -0.108,642 -0.117,643 -0.069,644 -0.252,645 -0.169,646 -0.193,647 -0.221,648 1.494,649 2.297,650 0.522,651 21.868,652 0.998,653 1.14,654 2.769,655 7.668,656 0.629,657 3.219,658 3.466,659 3.664,660 3.85,661 4.06,662 4.078,663 4.078,664 4.111,665 4.159,666 4.06,667 6.063,668 0.591,669 316.45,670 3.219,671 4.71,672 5.517,673 6.358,674 7.191,675 8.041,676 8.886,677 9.742,678 10.592,679 11.451,680 8.5,684 2,690 2,695 4,696 2,700 6,702 12,711 2,716 2,718 47,719 12,720 1,721 24,723 48,724 17,725 10,726 3,727 3,729 2,730 2,734 1,739 4,741 10,742 7,753 1,754 1,757 24,758 6,759 4,760 6,764 4,769 1,770 2,776 1,781 2,802 2,806 2,810 23,811 2,816 5,818 2,829 4.3,834 2,836 12.5,837 8.733,838 5.389,839 2.869,840 2.286,841 1.35,842 0.94,843 6.623,844 8.813,845 3.434,846 3.97,847 4.472,848 4.972,849 5.501,850 5.6,851 5.77,852 6.105,853 6.435,854 6.623,855 1,856 32,857 8.449,859 3.354,860 7.696,861 16.196,863 12.448,865 2.196,866 50.5,869 1,870 235.422,871 93,872 99.365,874 22,877 93,878 257.422,879 99.365,880 19.708,881 14.731,882 94.223,883 45.342,884 47.905,885 4.227,886 223.651,888 235.422,889 192.365,890 22,893 211.88,894 45.542,897 34.502,898 124.292,899 33.571,901 235.422,902 121.365,903 93,906 235.422,907 35.816,908 57.184,910 121.365,911 235.422,912 121.365,913 93,915 0.556,916 0.317,917 0.164,918 0.091,919 12,920 6,921 0.167,922 8,924 1,925 3.519,926 167.39,928 12,929 104.042,933 17.509,934 8.701,935 5.082,937 121.365,938 7.433,939 7.989,943 3.94,945 65.794,946 449.787,947 30,956 46.898,957 53.564,958 0.274,959 0.619,960 0.832,961 0.902,962 0.91,963 0.91,964 4.625,965 1.074,966 5.468,967 3.361,968 4.143,969 4.654,970 1.586,971 6.205,972 4.037,973 5.798,974 0.671,975 6.982,976 1.984,977 3.611,978 4.407,980 6.969,981 3.461,982 7.08,983 0.334,984 8.596,985 1.263,986 5.659,987 6.795,988 1.285,989 10.024,990 5.467,991 8.4,992 0.178,993 10.268,994 0.716,995 5.943,996 7.341,998 11.598,999 5.708,1000 9.752,1001 -0.297,1002 11.978,1003 0.282,1004 7.442,1005 9.217,1006 1.035,1007 14.154,1008 7.178,1009 11.125,1010 -0.509,1011 13.713,1012 -0.556,1013 8.124,1014 10.136,1016 16.075,1017 7.824,1018 12.515,1019 -0.521,1020 15.465,1021 -1.142,1022 9.385,1023 11.781,1024 0.828,1025 18.441,1026 9.058,1027 2.98,1028 -0.912,1029 17.231,1030 -1.243,1031 10.266,1032 12.895,1034 20.521,1035 9.907,1036 2.765,1037 9.444,1038 19.008,1039 -1.871,1040 11.419,1041 14.419,1042 0.656,1043 22.807,1044 11.035,1045 2.282,1046 8.479,1047 20.792,1048 3.975,1049 12.399,1050 15.64,1052 24.964,1053 11.985,1054 2.101,1055 6.647,1056 22.582,1057 3.813,1058 13.505,1059 17.098,1060 0.515,1061 27.216,1062 13.066,1063 1.715,1064 5.821,1065 24.378,1066 2.883,1067 14.533,1068 18.38,1070 29.41,1071 14.065,1072 1.595,1073 4.275,1074 26.178,1075 2.746,1076 15.621,1077 19.8,1078 0.401,1079 31.649,1080 15.126,1081 1.346,1082 3.506,1083 27.981,1084 2.074,1085 16.673,1086 21.118,1088 33.862,1089 16.15,1090 5436,1091 8710,1092 15.603,1093 29.546,1094 33.966,1095 34.756,1096 35.716,1097 34.069,1098 34.084,1099 43.184,1100 4.8,1101 91.556,1102 32.182,1103 5.209,1104 5.264,1105 6.187,1106 5.02,1107 4.98,1108 6.975,1109 1.72,1110 15.9,1111 4.894,1112 12.4,1113 1.415,1114 1.448,1115 1.488,1116 1.42,1117 1.42,1118 1.799,1119 0.2,1120 3.815,1121 1.341,1122 3.987,1123 4.016,1124 3.939,1125 3.894,1126 5.291,1127 3.9,1128 3.808,1129 3.854,1130 3.768,1131 3.647,1132 4.98,1133 3.671,1134 3.699,1135 3.764,1136 3.528,1137 3.566,1138 4.898,1139 3.547,1140 3.356,1141 3.421,1142 3.193,1143 3.139,1144 4.575,1145 3.134,1146 3.228,1147 3.305,1148 3.075,1149 3.003,1150 4.447,1151 3.008,1152 3.193,1153 3.279,1154 2.996,1155 2.951,1156 4.193,1157 2.956,1158 3.002,1159 3.125,1160 2.843,1161 2.696,1162 4.048,1163 2.714,1164 2.854,1165 2.934,1166 2.664,1167 2.643,1168 3.777,1169 2.639,1170 0.18,1171 0.136,1172 0.26,1173 0.165,1174 0.124,1175 4.331,1176 0.166,1177 3.264,1178 0.036,1179 6.251,1180 0.394,1181 3.951,1182 0.121,1183 2.98,1184 3.975,1185 0.86,1186 9.444,1187 2.894,1188 1.932,1189 1.912,1190 2.032,1191 2.05,1192 1.306,1193 2.042,1194 1.743,1195 1.696,1196 1.985,1197 1.934,1198 1.205,1199 1.939,1200 1.703,1201 1.644,1202 1.817,1203 1.874,1204 0.901,1205 1.878,1206 1.339,1207 1.266,1208 1.672,1209 1.592,1210 0.847,1211 1.618,1212 1.185,1213 1.108,1214 1.565,1215 1.495,1216 0.572,1217 1.52,1218 1.157,1219 1.083,1220 1.399,1221 1.421,1222 0.423,1223 1.422,1224 0.909,1225 0.798,1226 1.247,1227 1.294,1228 0.395,1229 1.295,1230 0.847,1231 0.769,1232 1.234,1233 1.135,1234 0.119,1235 1.174,1236 3.892,1238 5.153,1240 6.613,1242 8.172,1244 9.784,1246 3.814,1250 11.443,1252 4.667,1254 11.215,1262 27.783,1263 71.54,1264 161.556,1265 217.291,1266 235.556,1267 237.556,1268 237.556,1269 39.8,1270 6.526,1271 96.28,1272 96.28,1273 12,1274 12.004,1275 3.7,1276 2.807,1277 45.234,1278 79,1279 106,1280 0.272,1281 176.659,1282 301.88,1283 422.807,1284 5160,1286 16.656,1287 0.724,1288 0.596,1289 16.656,1290 13.711,1291 11.135,1292 0.464,1293 0.325,1294 7.677,1295 10.638,1296 7.443,1297 6.287,1298 11.135,1299 7.802,1300 9.348,1301 0.302,1302 0.172,1303 9.348,1304 5.345,1305 7.453,1306 0.196,1307 0.094,1308 7.453,1309 3.566,1310 5.839,1311 0.127,1312 0.05,1313 5.839,1314 2.301,1315 4.54,1316 0.08,1317 0.025,1318 4.54,1319 1.443,1320 0.426,1321 70.271,1322 0.253,1323 22.804,1324 0.746,1325 110,1326 327.386,1327 122.472,1328 313.156,1329 426.86,1330 294,1331 124,1332 312.972,1333 135.641,1334 317.309,1335 456.37,1336 296,1337 4.357}
{0 CHEMBL79922,1 1.563,2 10,3 2.216,4 4.909,5 95.36,6 7.373,7 0.654,8 3.889,9 4.028,10 3.442,11 3.361,12 5.057,13 3.36,14 4.377,15 4.575,16 3.792,17 3.723,18 5.493,19 3.706,20 4.516,21 4.686,22 3.886,23 3.9,24 5.59,25 3.864,26 4.717,27 4.935,28 3.858,29 3.963,30 5.794,31 3.871,32 4.82,33 5.096,34 3.662,35 3.915,36 5.749,37 3.796,38 4.672,39 4.936,40 3.488,41 3.789,42 5.587,43 3.655,44 4.539,45 4.816,46 3.415,47 3.669,48 5.424,49 3.535,50 4.46,51 4.751,52 3.341,53 3.502,54 5.421,55 3.391,56 0.048,57 0.697,58 9.283,59 3.347,60 11,61 4.794,62 0.294,63 1.033,64 17.016,65 5.665,66 26.667,67 8.033,68 0.14,69 1.231,70 18.404,71 6.438,72 14.112,73 9.353,74 0.324,75 1.372,76 23.978,77 8.536,78 36.945,79 12.522,80 0.38,81 1.353,82 29.028,83 8.152,84 46.473,85 13.014,86 0.405,87 1.144,88 25.007,89 7.876,90 38.945,91 11.722,92 0.18,93 1.006,94 21.729,95 7.236,96 27.001,97 11.136,98 0.324,99 0.886,100 20.904,101 5.939,102 37.501,103 9.381,104 27,105 37,106 0.271,107 0.653,108 0.819,109 0.867,110 0.867,111 0.867,112 3.229,113 0.867,114 -3.89,115 -3.85,116 -3.65,119 38.6,120 1,124 2,125 1,139 4,140 3,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 5,169 2,170 9,172 3,173 3,175 1,178 6,180 1,182 6,187 1,189 1,191 1,192 3,193 9,195 3,196 3,197 1,198 3,200 2,201 2,204 3,205 1,212 1,215 3,218 1,220 2,221 3,223 1,224 1,226 2,229 6,231 2,234 2,241 3,245 1,246 7,248 1,249 1,251 2,254 2,256 2,260 2,265 1,270 1,273 770,274 15.955,275 15.955,276 15.955,277 15.955,278 15.955,279 13.847,280 21.722,281 9.187,282 16.469,283 12.734,284 12.734,285 12.734,286 12.734,287 12.734,288 9.531,289 31.55,290 4.259,291 13.473,292 3.896,293 1.691,294 0.733,295 0.461,296 0.461,297 0.461,298 3.905,300 1,301 1,302 1,303 509,304 3,307 201.148,311 105.143,314 1.417,315 18.296,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 52,327 240,328 4.656,329 3.338,330 6.837,331 4.19,332 3.217,333 4.616,334 0.916,335 11.242,336 3.134,337 4.161,338 3.096,339 6.102,340 3.81,341 2.861,342 3.724,343 0.86,344 8.895,345 2.715,346 3.904,347 2.784,348 5.77,349 3.49,350 2.533,351 3.41,352 0.172,353 7.795,354 2.422,355 3.543,356 2.582,357 5.245,358 3.199,359 2.275,360 2.862,362 6.527,363 2.096,364 3.45,365 2.177,366 5.094,367 2.965,368 2.032,369 2.804,371 5.891,372 1.891,373 3.355,374 2.045,375 5.006,376 2.891,377 1.964,378 2.657,380 5.784,381 1.814,382 2.772,383 1.704,384 4.312,385 2.395,386 1.441,387 1.867,389 3.755,390 1.369,391 2.695,392 1.486,393 3.981,394 2.259,395 1.301,396 1.767,398 3.175,399 1.243,400 2.391,401 1.116,402 3.477,403 2.007,404 1.035,405 1.363,407 2.473,408 1.003,409 1.587,410 0.935,411 3.044,412 1.294,413 0.429,414 0.481,415 0.729,416 0.367,417 1.581,418 0.577,419 2.822,420 1.237,421 0.294,422 0.36,423 0.616,424 0.277,425 1.196,426 0.112,427 2.698,428 0.838,429 -0.111,430 -0.137,431 -0.289,432 -0.105,433 0.969,434 -0.252,435 2.644,436 0.522,437 -0.399,438 -0.518,439 -1.075,440 -0.366,441 0.71,442 -0.357,443 2.398,444 0.321,445 -0.617,446 -0.72,448 -1.409,449 -0.574,450 0.584,451 -0.383,452 2,453 0.237,454 -0.703,455 -0.879,457 -1.57,458 -0.655,459 11.233,460 0.468,461 0.682,462 0.028,463 34.25,464 1.427,465 18,466 0.75,467 16.25,468 0.677,469 17.358,470 0.723,471 25.967,472 0.59,473 24.857,474 1.036,475 6.951,476 0.29,477 4.539,478 0.189,479 0.205,481 0.392,485 1.055,486 1.433,487 0.83,488 1.114,489 1.235,490 0.955,491 1.045,492 0.791,493 0.734,494 0.712,495 0.571,496 0.689,497 1.098,498 1.389,499 1.01,500 1.191,501 0.907,502 1.103,503 0.594,504 1.2,505 1.037,506 1.315,507 0.606,508 1.263,509 1.09,510 0.942,511 1.115,512 0.957,513 1.159,514 1.013,515 1.116,516 0.808,517 1.159,518 0.994,519 1.066,520 1.08,521 0.643,522 1.048,523 0.875,524 1.076,525 0.729,526 1.02,527 0.932,528 0.797,529 0.862,530 0.807,531 0.995,532 0.817,533 5.5,534 0.099,535 2.889,536 2.25,537 1.911,538 0.792,539 0.467,540 0.349,541 0.225,542 0.171,543 6010,544 16456,545 2.015,546 45.5,547 3,548 12,550 1,551 4,555 1.669,556 1.846,557 3.284,558 1.819,559 1,560 1,562 1,564 68.78,565 1.563,566 3.768,567 4.726,568 4.999,569 4.999,570 4.999,571 2.721,572 4.418,573 4.558,574 3.405,575 939.883,576 7.865,577 10861.6,579 1,581 1,582 240.215,583 1.528,584 4.493,585 0.212,586 0.008,587 0.078,588 0.056,589 0.053,590 0.027,591 0.019,592 0.015,593 0.011,594 0.01,595 0.49,596 0.17,597 1,598 0.854,599 113.449,600 -0.123,601 -0.19,602 0.036,603 -0.05,604 -0.252,605 0.013,606 0.087,607 0.32,608 0.213,609 0.294,610 0.262,611 0.269,612 -0.171,613 -0.225,614 -0.121,615 -0.143,616 -0.128,617 -0.128,618 0.215,619 -0.142,620 -0.115,621 -0.293,622 0.213,623 -0.272,624 -0.188,625 0.016,626 -0.127,627 -0.013,628 -0.19,629 -0.046,630 -0.109,631 0.126,632 -0.172,633 -0.012,634 -0.17,635 -0.094,636 0.048,637 -0.148,638 0.092,639 -0.057,640 0.056,641 0.014,642 0.069,643 0.084,644 0.161,645 0.14,646 0.061,647 0.166,648 1.534,649 2.005,650 0.667,651 18.597,652 1.003,653 1.139,654 2.665,655 7.1,656 0.655,657 3.296,658 3.638,659 3.912,660 4.174,661 4.382,662 4.407,663 4.454,664 4.511,665 4.595,666 4.564,667 5.772,668 0.626,669 324.43,670 3.296,671 4.844,672 5.7,673 6.589,674 7.461,675 8.353,676 9.231,677 10.125,678 11.007,679 11.902,680 13.6,684 2,686 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,714 1,716 1,718 44,719 17,720 1,721 26,723 46,724 17,725 13,726 2,727 4,729 3,730 4,734 1,741 13,742 4,753 1,754 1,757 20,758 7,759 4,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 3,810 24,811 2,816 1,818 1,821 1,829 2.3,834 1,836 13,837 8.8,838 5.306,839 2.306,840 3.314,841 1.47,842 0.989,843 4.513,844 10.368,845 3.57,846 4.234,847 4.86,848 5.475,849 6.044,850 6.306,851 6.627,852 6.967,853 7.348,854 7.44,855 0.857,856 40,857 8.778,859 3.615,860 7.722,861 16.644,863 13.155,865 2.222,866 53.333,870 188.338,871 100.049,872 119.275,874 11,877 100.049,878 199.338,879 119.275,880 28.105,881 2.106,882 103.699,883 62.128,884 41.831,885 4.227,886 176.567,888 188.338,889 219.325,890 11,893 190.053,894 11,897 21.877,898 145.375,899 50.357,901 188.338,902 130.275,903 100.049,906 188.338,907 24.992,908 78.181,910 127.151,911 188.338,912 130.275,913 100.049,915 0.587,916 0.353,917 0.192,918 0.102,919 18,920 9,921 0.087,922 4,923 1,924 1.125,925 3.506,926 195.501,927 0.125,928 16,929 110.039,933 16.43,934 6.593,935 3.28,936 1.269,937 130.275,938 9.708,939 12.563,943 4.415,945 65.794,946 418.662,947 34.5,956 44.123,957 50.106,958 0.286,959 0.69,960 0.866,961 0.916,962 0.916,963 0.916,964 4.806,965 1.301,966 5.707,967 3.755,968 4.317,969 4.92,970 1.382,971 6.541,972 4.215,973 6.044,974 1.035,975 7.287,976 3.175,977 4.007,978 4.856,979 0.325,980 7.486,981 3.864,982 7.372,983 0.429,984 8.964,985 2.473,986 5.938,987 7.213,988 1.115,989 10.595,990 5.754,991 8.736,992 0.294,993 10.697,994 0.729,995 6.399,996 7.941,997 0.393,998 12.35,999 6.186,1000 10.129,1001 -0.111,1002 12.465,1003 0.616,1004 7.838,1005 9.809,1006 0.921,1007 15.004,1008 7.593,1009 11.545,1010 -0.399,1011 14.26,1012 -0.289,1013 8.66,1014 10.933,1015 0.384,1016 17.122,1017 8.394,1018 12.978,1019 -0.617,1020 16.074,1021 -1.075,1022 9.91,1023 12.597,1024 0.764,1025 19.617,1026 9.616,1027 3.217,1028 -0.703,1029 17.904,1030 -1.409,1031 10.905,1032 13.925,1033 0.351,1034 21.9,1035 10.59,1036 2.861,1037 11.242,1038 19.747,1039 -1.57,1040 12.082,1041 15.503,1042 0.634,1043 24.339,1044 11.743,1045 2.533,1046 8.895,1047 21.601,1048 4.616,1049 13.159,1050 16.933,1051 0.312,1052 26.696,1053 12.799,1054 2.275,1055 7.795,1056 23.465,1057 3.724,1058 14.313,1059 18.475,1060 0.525,1061 29.116,1062 13.929,1063 2.032,1064 6.527,1065 25.336,1066 3.41,1067 15.429,1068 19.956,1069 0.273,1070 31.506,1071 15.023,1072 1.964,1073 5.891,1074 27.215,1075 2.862,1076 16.578,1077 21.486,1078 0.433,1079 33.922,1080 16.15,1081 1.441,1082 5.784,1083 29.099,1084 2.804,1085 17.713,1086 22.99,1087 0.236,1088 36.326,1089 17.263,1090 5921,1091 9920,1092 16.819,1093 28.819,1094 38.996,1095 39.382,1096 40.812,1097 38.741,1098 38.763,1099 51.823,1100 3.898,1101 113.764,1102 36.664,1103 5.49,1104 5.338,1105 6.427,1106 5.265,1107 5.217,1108 7.616,1109 1.776,1110 18.518,1111 5.134,1112 13.598,1113 1.5,1114 1.515,1115 1.57,1116 1.49,1117 1.491,1118 1.993,1119 0.15,1120 4.376,1121 1.41,1122 4.075,1123 4.115,1124 4.05,1125 3.962,1126 5.321,1127 3.978,1128 3.911,1129 3.942,1130 3.857,1131 3.821,1132 4.982,1133 3.825,1134 3.567,1135 3.633,1136 3.493,1137 3.378,1138 4.875,1139 3.399,1140 3.347,1141 3.43,1142 3.215,1143 3.107,1144 4.8,1145 3.119,1146 3.217,1147 3.293,1148 3.05,1149 2.955,1150 4.414,1151 2.96,1152 3.161,1153 3.26,1154 3.016,1155 2.923,1156 4.205,1157 2.933,1158 3.023,1159 3.153,1160 2.816,1161 2.706,1162 4.055,1163 2.724,1164 2.877,1165 2.986,1166 2.679,1167 2.653,1168 3.987,1169 2.642,1170 0.179,1171 0.128,1172 0.263,1173 0.161,1174 0.124,1175 4.656,1176 0.178,1177 3.338,1178 0.035,1179 6.837,1180 0.432,1181 4.19,1182 0.121,1183 3.217,1184 4.616,1185 0.916,1186 11.242,1187 3.134,1188 2,1189 1.969,1190 2.068,1191 2.135,1192 1.243,1193 2.114,1194 1.881,1195 1.856,1196 1.984,1197 2,1198 1.079,1199 1.996,1200 1.502,1201 1.44,1202 1.692,1203 1.731,1204 0.803,1205 1.723,1206 1.298,1207 1.213,1208 1.584,1209 1.575,1210 0.573,1211 1.585,1212 1.182,1213 1.103,1214 1.561,1215 1.481,1216 0.562,1217 1.51,1218 1.118,1219 1.028,1220 1.447,1221 1.4,1222 0.534,1223 1.409,1224 0.946,1225 0.827,1226 1.263,1227 1.337,1228 0.186,1229 1.341,1230 0.864,1231 0.76,1232 1.198,1233 1.164,1234 0.146,1235 1.193,1236 3.97,1238 5.303,1240 6.841,1242 8.475,1244 10.161,1246 5.668,1250 11.64,1252 0.672,1254 5.28,1257 2.118,1262 27.531,1263 68.78,1264 165.797,1265 207.95,1266 219.95,1267 219.95,1268 219.95,1269 32.719,1270 7.054,1271 103.18,1272 103.18,1273 18,1274 12.43,1275 4.17,1276 3.248,1277 39.302,1278 83,1279 84,1280 0.235,1281 173.003,1282 286.55,1283 413.887,1284 10186,1286 17.267,1287 0.719,1288 0.581,1289 17.267,1290 13.946,1291 11.49,1292 0.442,1293 0.289,1294 7.377,1295 10.962,1296 7.077,1297 5.96,1298 11.49,1299 7.517,1300 10.502,1301 0.284,1302 0.152,1303 10.502,1304 5.632,1305 8.82,1306 0.18,1307 0.082,1308 8.82,1309 4.036,1310 7.512,1311 0.117,1312 0.042,1313 7.512,1314 2.687,1315 5.775,1316 0.073,1317 0.022,1318 5.775,1319 1.746,1320 0.365,1321 72.565,1322 0.244,1323 23.243,1324 0.656,1325 126,1326 362.94,1327 139.12,1328 356.533,1329 495.2,1330 334,1331 149,1332 374.799,1333 161.983,1334 385.271,1335 558.7,1336 358,1337 7.745}
{0 CHEMBL80051,1 1.491,2 9.885,3 2.82,4 7.954,5 97.216,6 7.214,7 0.429,8 3.99,9 4.148,10 3.523,11 3.437,12 5.154,13 3.428,14 4.51,15 4.731,16 3.855,17 3.831,18 5.556,19 3.793,20 4.747,21 4.976,22 3.961,23 4.042,24 5.708,25 3.978,26 4.869,27 5.105,28 3.996,29 4.119,30 5.879,31 4.026,32 4.962,33 5.229,34 3.936,35 4.089,36 5.995,37 3.993,38 4.892,39 5.179,40 3.798,41 3.945,42 5.918,43 3.836,44 4.689,45 4.982,46 3.664,47 3.724,48 5.763,49 3.631,50 4.455,51 4.711,52 3.565,53 3.554,54 5.705,55 3.499,56 0.095,57 0.804,58 10.739,59 3.544,60 17.617,61 5.549,62 0.284,63 1.193,64 19.728,65 6.044,66 28.7,67 9.563,68 0.286,69 1.452,70 25.205,71 7.737,72 22.704,73 12.406,74 0.232,75 1.562,76 28.556,77 9.529,78 35.436,79 15.027,80 0.396,81 1.568,82 32.872,83 8.442,84 57.699,85 14.696,86 0.446,87 1.371,88 31.44,89 7.883,90 60,91 13.771,92 0.453,93 1.115,94 25.916,95 6.348,96 54.264,97 11.033,98 0.35,99 0.967,100 19.672,101 4.256,102 59.547,103 7.81,104 31,105 39,106 0.253,107 0.623,108 0.773,109 0.831,110 0.831,111 0.831,112 3.305,113 0.922,114 -3.22,115 -3.21,116 -3.08,119 34.7,120 1,121 1,124 1,125 4,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,162 1,166 5,168 1,169 1,170 5,171 1,172 3,173 3,175 1,178 5,180 1,181 2,182 7,187 1,189 4,191 2,193 8,195 2,196 1,197 1,198 5,200 2,201 3,202 1,204 7,205 1,207 5,208 1,212 4,215 3,216 2,218 6,220 3,221 3,223 1,224 1,226 2,229 1,230 2,231 2,233 2,234 3,236 4,237 1,239 1,240 1,243 2,244 1,246 2,247 3,248 1,249 1,252 1,255 1,256 1,257 1,262 1,263 1,267 1,269 1,272 1,273 924,274 17.533,275 17.533,276 17.533,277 17.533,278 17.533,279 15.592,280 24.768,281 10.318,282 17.971,283 13.712,284 13.712,285 13.712,286 13.712,287 13.712,288 10.939,289 31.859,290 4.712,291 14.427,292 4.124,293 1.949,294 1.067,295 0.725,296 0.725,297 0.725,298 3.984,300 1,301 1,302 1,303 540,304 2.739,307 261.522,314 1.527,315 21.417,317 1,318 1,319 0.83,320 1,321 1,322 0.5,323 1,324 1,325 0.9,326 56.5,327 257,328 4.544,329 3.297,330 6.776,331 4.163,332 3.188,333 4.265,334 0.8,335 11.103,336 3.113,337 4.286,338 3.177,339 6.495,340 3.935,341 2.984,342 3.886,343 0.8,344 10.163,345 2.838,346 3.693,347 2.73,348 5.44,349 3.406,350 2.471,351 3.058,353 7.053,354 2.307,355 3.507,356 2.428,357 5.211,358 3.201,359 2.271,360 2.657,362 6.392,363 2.111,364 3.302,365 2.249,366 5.038,367 2.941,368 2,369 2.552,371 5.721,372 1.881,373 3.264,374 2.201,375 4.936,376 2.896,377 1.965,378 2.452,380 5.643,381 1.824,382 3.156,383 1.847,384 4.72,385 2.689,386 1.73,387 2.293,389 4.825,390 1.652,391 2.775,392 1.413,393 4.062,394 2.261,395 1.293,396 1.761,398 3.382,399 1.248,400 2.565,401 1.146,402 3.414,403 2,404 1,405 1.579,407 2.275,408 1,409 2,410 1,411 3.332,412 1.967,413 1,414 1,415 1.778,416 0.965,417 1.723,418 0.67,419 3.187,420 1.535,421 0.553,422 0.624,423 1.07,424 0.543,425 1.442,426 0.257,427 2.762,428 1.098,429 0.14,430 0.164,431 0.278,432 0.134,433 1.292,434 0.036,435 2.612,436 0.849,437 -0.099,438 -0.119,439 -0.219,440 -0.094,441 0.973,442 -0.165,443 2.401,444 0.623,445 -0.339,446 -0.411,448 -0.656,449 -0.325,450 0.825,451 -0.305,452 2.258,453 0.439,454 -0.478,455 -0.587,457 -1.147,458 -0.436,459 12.1,460 0.465,461 0.644,462 0.025,463 33.25,464 1.279,465 16,466 0.615,467 17.25,468 0.663,469 21.677,470 0.834,471 28.7,472 0.586,473 25.735,474 0.99,475 6.607,476 0.254,477 5.922,478 0.228,479 0.182,481 0.355,485 0.898,486 1.437,487 0.842,488 1.173,489 0.767,490 1.022,491 0.833,492 0.964,493 0.796,494 0.878,495 0.299,496 0.837,497 0.977,498 1.052,499 0.952,500 1,501 0.553,502 0.976,503 0.642,504 1.265,505 0.917,506 1.279,507 0.511,508 1.164,509 1.153,510 1.135,511 1.082,512 1.075,513 1.073,514 1.068,515 1.006,516 1.021,517 0.998,518 1.007,519 1.071,520 1.002,521 0.889,522 0.869,523 0.884,524 0.872,525 1.403,526 0.877,527 1.287,528 1.139,529 1.13,530 1.05,531 1.594,532 1.062,533 5.5,534 0.148,535 3.111,536 2.438,537 1.64,538 1.069,539 0.827,540 0.49,541 0.308,542 0.158,543 7038,544 18822,545 2.014,546 46.9,547 3,548 14,551 4,552 2,555 1.696,556 1.857,557 3.255,558 1.811,560 1,564 73.063,565 1.491,566 3.666,567 4.548,568 4.89,569 4.89,570 4.89,571 2.724,572 3.719,573 4.67,574 3.402,575 1105.51,576 8.12,577 13463.7,579 1,581 1,582 275.121,583 1.502,584 4.615,585 0.196,586 0.011,587 0.08,588 0.057,589 0.038,590 0.027,591 0.025,592 0.017,593 0.012,594 0.008,595 0.472,596 0.17,597 1,598 1.104,599 125.504,600 0.031,601 -0.106,602 0.046,603 -0.038,604 0.005,606 0.12,607 0.189,608 0.142,609 0.183,610 0.241,611 0.168,612 -0.095,613 0.069,614 -0.022,615 0.074,616 -0.009,617 0.043,618 0.104,619 -0.198,620 0.004,621 -0.173,622 0.134,623 -0.112,624 -0.172,625 -0.132,626 -0.11,627 -0.089,628 -0.127,629 -0.089,630 -0.004,631 -0.083,632 -0.005,633 -0.053,634 -0.067,635 -0.032,636 0.181,637 0.056,638 0.124,639 0.052,640 -0.054,641 0.075,642 -0.041,643 -0.081,644 -0.131,645 -0.15,646 0.048,647 -0.155,648 1.507,649 3.003,650 0.692,651 22.071,652 1.002,653 1.151,654 1.989,655 3.957,656 0.64,657 3.367,658 3.689,659 3.97,660 4.263,661 4.489,662 4.564,663 4.663,664 4.762,665 4.804,666 4.836,667 5.817,668 0.61,669 353.49,670 3.367,671 4.905,672 5.759,673 6.648,674 7.522,675 8.418,676 9.3,677 10.199,678 11.085,679 11.985,680 18.4,683 1,684 2,686 1,690 2,692 1,693 1,695 3,696 2,700 7,702 12,711 2,714 1,718 49,719 14,720 1,721 28,723 51,724 17,725 10,726 3,727 3,729 3,730 3,734 1,739 1,741 10,742 7,744 2,750 1,753 1,754 1,757 23,758 8,759 4,760 9,764 9,765 1,769 1,776 1,781 3,799 1,802 3,806 2,810 26,811 2,816 5,821 2,836 14,837 9.333,838 5.889,839 2.978,840 2.515,841 1.352,842 0.969,843 5.479,844 9.651,845 3.611,846 4.19,847 4.749,848 5.357,849 5.899,850 6.228,851 6.607,852 6.985,853 7.271,854 7.581,855 0.857,856 43,857 9.527,859 3.936,860 7.776,861 18.172,863 14.571,865 2.276,866 59.167,870 223.651,871 75.476,872 169.142,877 75.476,878 223.651,879 169.142,880 17.222,881 4.211,882 103.699,883 53.297,884 33.571,885 4.227,886 164.795,888 223.651,889 244.618,893 164.795,894 22,897 21.877,898 140.145,899 50.357,901 223.651,902 169.142,903 75.476,906 223.651,907 29.826,908 51.899,910 162.893,911 223.651,912 169.142,913 75.476,915 0.573,916 0.343,917 0.199,918 0.113,919 18,920 9,921 0.078,922 4,924 1,925 3.627,926 220.233,928 18,929 118.211,933 18.277,934 7.794,935 3.86,937 153.827,938 5.784,939 8.372,943 4.316,945 65.794,946 468.269,947 36,953 3.909,956 49.101,957 56.391,958 0.266,959 0.653,960 0.81,961 0.871,962 0.871,963 0.871,964 4.852,965 1.293,966 5.753,967 4.825,968 4.369,969 4.875,970 1.072,971 6.586,972 4.274,973 6.053,974 1,975 7.326,976 3.382,977 4.007,978 4.677,979 0.57,980 7.548,981 3.854,982 7.36,983 1,984 8.999,985 2.275,986 5.979,987 7.048,988 0.653,989 10.664,990 5.799,991 8.701,992 0.553,993 10.732,994 1.778,995 6.415,996 7.658,997 0.479,998 12.463,999 6.196,1000 10.075,1001 0.14,1002 12.504,1003 1.07,1004 7.877,1005 9.523,1006 0.432,1007 15.107,1008 7.632,1009 11.472,1010 -0.099,1011 14.304,1012 0.278,1013 8.689,1014 10.535,1015 0.346,1016 17.257,1017 8.418,1018 12.889,1019 -0.339,1020 16.124,1021 -0.219,1022 9.949,1023 12.175,1024 0.291,1025 19.736,1026 9.651,1027 3.188,1028 -0.478,1029 17.961,1030 -0.656,1031 10.939,1032 13.394,1033 0.237,1034 22.028,1035 10.62,1036 2.984,1037 11.103,1038 19.811,1039 -1.147,1040 12.12,1041 14.927,1042 0.195,1043 24.448,1044 11.775,1045 2.471,1046 10.163,1047 21.671,1048 4.265,1049 13.192,1050 16.251,1051 0.158,1052 26.796,1053 12.826,1054 2.271,1055 7.053,1056 23.539,1057 3.886,1058 14.344,1059 17.732,1060 0.129,1061 29.195,1062 13.954,1063 2,1064 6.392,1065 25.414,1066 3.058,1067 15.454,1068 19.111,1069 0.104,1070 31.567,1071 15.042,1072 1.965,1073 5.721,1074 27.294,1075 2.657,1076 16.596,1077 20.568,1078 0.084,1079 33.96,1080 16.162,1081 1.73,1082 5.643,1083 29.178,1084 2.552,1085 17.724,1086 21.974,1087 0.068,1088 36.343,1089 17.268,1090 7004,1091 11602,1092 18.205,1093 31.381,1094 41.669,1095 41.162,1096 43.935,1097 41.298,1098 41.192,1099 52.578,1100 3.2,1101 119.367,1102 39.232,1103 5.544,1104 5.297,1105 6.539,1106 5.233,1107 5.188,1108 7.265,1109 1.2,1110 18.073,1111 5.113,1112 14.688,1113 1.488,1114 1.47,1115 1.569,1116 1.475,1117 1.471,1118 1.878,1119 0.114,1120 4.263,1121 1.401,1122 4.037,1123 4.078,1124 4,1125 3.943,1126 6.727,1127 3.952,1128 3.843,1129 3.909,1130 3.784,1131 3.667,1132 5.285,1133 3.687,1134 3.703,1135 3.77,1136 3.607,1137 3.528,1138 4.981,1139 3.536,1140 3.393,1141 3.486,1142 3.304,1143 3.192,1144 4.761,1145 3.185,1146 3.321,1147 3.429,1148 3.204,1149 2.968,1150 4.432,1151 3.022,1152 3.197,1153 3.3,1154 3.051,1155 2.941,1156 4.345,1157 2.95,1158 3.111,1159 3.206,1160 2.904,1161 2.922,1162 4.146,1163 2.91,1164 3.067,1165 3.191,1166 2.866,1167 2.787,1168 3.966,1169 2.798,1170 0.162,1171 0.118,1172 0.242,1173 0.149,1174 0.114,1175 4.544,1176 0.152,1177 3.297,1178 0.029,1179 6.776,1180 0.397,1181 4.163,1182 0.111,1183 3.188,1184 4.265,1185 0.8,1186 11.103,1187 3.113,1188 1.975,1189 1.947,1190 2.061,1191 2.097,1192 1.31,1193 2.087,1194 1.784,1195 1.724,1196 1.96,1197 1.994,1198 1.176,1199 1.985,1200 1.655,1201 1.593,1202 1.842,1203 1.85,1204 1.003,1205 1.841,1206 1.382,1207 1.297,1208 1.622,1209 1.634,1210 0.825,1211 1.654,1212 1.171,1213 1.07,1214 1.531,1215 1.515,1216 0.665,1217 1.485,1218 1.153,1219 1.064,1220 1.513,1221 1.454,1222 0.577,1223 1.429,1224 1.103,1225 1.008,1226 1.269,1227 1.376,1228 0.253,1229 1.423,1230 0.979,1231 0.884,1232 1.199,1233 1.359,1234 0.182,1235 1.343,1236 4.043,1238 5.361,1240 6.889,1242 8.517,1244 10.197,1246 4.086,1250 11.812,1252 4.379,1257 4.509,1262 29.88,1263 73.063,1264 179.611,1265 222.856,1266 239.611,1267 239.611,1268 239.611,1269 42.808,1270 7.136,1271 133.06,1272 133.06,1273 18,1274 12.51,1275 3.907,1276 3.17,1277 44.108,1278 92,1279 96,1280 0.244,1281 189.39,1282 321.66,1283 453.87,1284 10477,1286 18.681,1287 0.719,1288 0.579,1289 18.681,1290 15.067,1291 12.528,1292 0.447,1293 0.307,1294 8.458,1295 11.912,1296 8.221,1297 6.854,1298 12.528,1299 8.608,1300 11.105,1301 0.285,1302 0.163,1303 11.105,1304 6.339,1305 9.157,1306 0.176,1307 0.089,1308 9.157,1309 4.638,1310 8.026,1311 0.115,1312 0.046,1313 8.026,1314 3.249,1315 6.443,1316 0.073,1317 0.026,1318 6.443,1319 2.284,1320 0.374,1321 79.247,1322 0.234,1323 24.709,1324 0.7,1325 134,1326 384.432,1327 148.071,1328 382.776,1329 523.08,1330 356,1331 158,1332 391.725,1333 172.377,1334 398.013,1335 575.85,1336 372,1337 4.602}
{0 CHEMBL80061,1 1.441,2 9.864,3 0.382,4 0.146,5 94.447,6 6.699,7 0.522,8 3.884,9 4.058,10 3.322,11 3.322,12 5.023,13 3.298,14 4.361,15 4.578,16 3.642,17 3.693,18 5.423,19 3.627,20 4.606,21 4.86,22 3.739,23 3.833,24 5.602,25 3.758,26 4.648,27 4.888,28 3.747,29 3.88,30 5.712,31 3.789,32 4.747,33 5.007,34 3.635,35 3.895,36 5.762,37 3.775,38 4.758,39 5.059,40 3.481,41 3.789,42 5.721,43 3.627,44 4.597,45 4.914,46 3.232,47 3.551,48 5.556,49 3.378,50 4.354,51 4.679,52 2.912,53 3.28,54 5.256,55 3.106,56 0.091,57 0.698,58 10.762,59 3.11,60 15.721,61 5.312,62 0.192,63 1.008,64 17.614,65 5.887,66 24.843,67 9.253,68 0.231,69 1.178,70 23.035,71 6.394,72 29.059,73 11.053,74 0.258,75 1.232,76 23.906,77 7.026,78 37.593,79 11.751,80 0.278,81 1.25,82 26.711,83 7.031,84 45.434,85 12.467,86 0.323,87 1.114,88 27.343,89 7.604,90 53.185,91 13.006,92 0.347,93 0.888,94 23.586,95 6.055,96 50.49,97 10.614,98 0.26,99 0.676,100 18.575,101 4.256,102 39.253,103 7.963,104 33,105 31,106 0.253,107 0.617,108 0.811,109 0.882,110 0.882,111 0.882,112 3.146,113 0.955,114 -2.75,115 -2.76,116 -2.68,119 33.3,120 1,121 2,125 2,139 3,140 2,141 2,143 1,144 1,147 1,157 4,158 4,159 4,166 5,169 1,170 3,172 3,173 3,175 5,178 5,180 3,182 3,186 1,187 5,188 1,189 4,191 3,193 5,195 1,196 1,197 2,198 8,200 3,201 4,204 7,205 1,207 3,212 6,215 5,218 5,223 2,224 2,225 1,226 4,228 2,229 2,231 4,232 1,237 2,238 2,239 5,240 3,241 1,243 4,244 1,250 1,251 2,253 2,256 1,258 1,260 2,264 1,265 2,267 1,268 1,270 2,273 652,274 14.723,275 14.723,276 14.723,277 14.723,278 14.723,279 13.181,280 20.567,281 8.855,282 14.999,283 11.242,284 11.242,285 11.242,286 11.242,287 11.242,288 8.874,289 28.109,290 4.06,291 11.711,292 4.051,293 1.974,294 0.867,295 0.461,296 0.461,297 0.461,298 3.805,301 1,302 1,303 441,304 2.915,307 150.44,314 1.707,315 20.654,318 0.75,319 0.83,320 0.83,321 0.9,322 1,323 0.67,324 0.5,325 0.78,326 47.5,327 217,328 4.532,329 3.249,330 6.769,331 4.147,332 3.17,333 4.253,334 0.4,335 11.071,336 3.101,337 4.16,338 2.922,339 6.042,340 3.753,341 2.788,342 3.782,344 8.641,345 2.69,346 3.623,347 2.365,348 5.315,349 3.207,350 2.271,351 2.999,353 6.67,354 2.125,355 3.301,356 2.224,357 5.038,358 2.934,359 1.986,360 2.549,362 5.704,363 1.878,364 3.127,365 1.958,366 4.774,367 2.75,368 1.8,369 2.346,371 5.029,372 1.705,373 2.874,374 1.768,375 4.21,376 2.609,377 1.642,378 1.998,380 3.859,381 1.584,382 2.623,383 1.529,384 3.608,385 2.392,386 1.414,387 1.631,389 3.017,390 1.38,391 1.923,392 1.033,393 3.335,394 1.761,395 0.815,396 0.879,398 1.548,399 0.768,400 1.686,401 0.664,402 2.92,403 1.513,404 0.536,405 0.598,407 0.951,408 0.523,409 1.349,410 0.296,411 2.731,412 1.104,413 0.152,414 0.173,415 0.276,416 0.144,417 1.127,418 0.032,419 2.426,420 0.822,421 -0.118,422 -0.14,423 -0.265,424 -0.111,425 0.826,426 -0.3,427 2.302,428 0.44,429 -0.478,430 -0.572,431 -0.963,432 -0.437,433 0.737,434 -0.305,435 2.227,436 0.438,437 -0.51,438 -0.587,439 -1.148,440 -0.482,441 0.509,442 -0.611,443 1.885,444 0.212,445 -0.749,446 -0.909,448 -1.8,449 -0.718,450 0.222,451 -0.771,452 1.627,453 0.001,454 -0.951,455 -1.119,457 -2.203,458 -0.906,459 10.3,460 0.468,461 0.524,462 0.024,463 28,464 1.273,465 14,466 0.636,467 14,468 0.636,469 17.002,470 0.773,471 25.1,472 0.558,473 20.261,474 0.921,475 5.398,476 0.245,477 5.164,478 0.235,479 0.204,481 0.34,485 1.367,486 1.308,487 1.01,488 1.004,489 1.489,490 0.96,491 0.615,492 1.143,493 0.828,494 1.111,495 0.533,496 1.016,497 1.022,498 1.103,499 0.874,500 0.931,501 0.825,502 0.887,503 0.937,504 1.209,505 1.033,506 1.18,507 0.802,508 1.129,509 1.271,510 1.209,511 1.227,512 1.195,513 1.283,514 1.203,515 0.806,516 1.03,517 0.979,518 1.093,519 0.894,520 1.066,521 0.872,522 0.895,523 0.987,524 0.991,525 1.009,526 1.004,527 1.179,528 0.89,529 1.062,530 0.908,531 1.179,532 0.959,533 4.5,534 0.07,535 2.444,536 2.063,537 1.418,538 0.847,539 0.586,540 0.255,541 0.148,542 0.086,543 4379,544 11031,545 1.944,546 51.1,547 3,548 7,551 9,552 2,554 2,555 1.646,556 1.784,557 3.21,558 6.702,560 1,564 64.837,565 1.441,566 3.517,567 4.625,568 5.031,569 5.031,570 5.031,571 2.738,572 4.187,573 4.421,574 3.374,575 779.384,576 7.605,577 8502.31,579 1,582 247.133,583 1.529,584 4.365,585 0.196,586 0.008,587 0.079,588 0.061,589 0.043,590 0.03,591 0.025,592 0.015,593 0.012,594 0.009,595 0.478,596 0.17,597 1,598 1.611,599 101.103,600 -0.284,601 0.068,602 -0.027,603 0.153,604 -0.343,605 0.108,606 0.24,607 0.062,608 0.127,609 0.034,610 0.207,611 0.06,612 -0.055,613 -0.007,614 0.102,615 0.117,616 -0.014,617 0.131,618 0.013,619 -0.072,620 -0.066,621 -0.107,622 0.072,623 -0.099,624 -0.259,625 -0.131,626 -0.252,627 -0.18,628 -0.233,629 -0.21,630 0.077,631 -0.104,632 -0.015,633 -0.111,634 0.053,635 -0.081,636 0.113,637 -0.016,638 -0.006,639 -0.07,640 0.04,641 -0.058,642 -0.116,643 -0.03,644 -0.069,645 -0.024,646 -0.111,647 -0.037,648 1.48,649 2.112,650 0.545,651 18.843,652 0.995,653 1.151,654 1.517,655 2.302,656 0.625,657 3.178,658 3.466,659 3.714,660 3.97,661 4.143,662 4.19,663 4.19,664 4.205,665 4.143,666 4.06,667 5.609,668 0.586,669 301.45,670 3.178,671 4.691,672 5.525,673 6.399,674 7.258,675 8.142,676 9.011,677 9.9,678 10.774,679 11.666,680 15.6,681 1,684 3,685 1,690 2,695 3,696 2,700 7,702 12,711 3,712 1,718 45,719 12,720 1,721 23,723 46,724 15,725 10,726 3,727 3,729 2,730 2,734 2,739 2,741 10,742 5,753 1,754 1,757 23,758 7,759 9,760 7,764 7,769 1,776 1,781 2,797 1,802 2,806 1,810 22,811 4,816 4,817 1,836 12.333,837 7.733,838 5.111,839 2.624,840 2.338,841 1.36,842 0.983,843 5.546,844 8.832,845 3.401,846 3.989,847 4.559,848 5.142,849 5.67,850 5.93,851 6.209,852 6.526,853 6.742,854 6.94,855 0.857,856 34,857 8.061,859 3.27,860 7.78,861 15.304,863 11.999,865 2.28,866 50.167,870 164.795,871 65.403,872 183.171,877 65.403,878 164.795,879 183.171,880 8.825,881 42.178,882 127.12,883 51.582,884 14.641,885 4.227,886 164.795,888 164.795,889 248.573,893 141.253,894 23.542,897 55.659,898 141.333,899 51.582,901 164.795,902 183.171,903 65.403,906 164.795,907 28.149,908 37.254,909 18.011,910 165.16,911 164.795,912 183.171,913 65.403,915 0.564,916 0.334,917 0.187,918 0.101,919 13,920 7,921 0.13,922 6,924 1,925 3.31,926 163.617,928 12,929 98.107,933 16.487,934 7.401,935 3.867,937 183.171,938 5.747,939 8.303,943 4.568,945 149.6,946 413.369,947 29,956 44.781,957 51.81,958 0.262,959 0.64,960 0.842,961 0.916,962 0.916,963 0.916,964 4.615,965 0.815,966 5.509,967 3.017,968 4.143,969 4.673,970 0.278,971 6.323,972 4.066,973 5.822,974 0.536,975 7.072,976 1.548,977 3.761,978 4.559,980 7.265,981 3.649,982 7.133,983 0.152,984 8.74,985 0.951,986 5.727,987 6.886,988 0.05,989 10.378,990 5.588,991 8.485,992 -0.118,993 10.469,994 0.276,995 6.155,996 7.56,998 12.162,999 5.993,1000 9.868,1001 -0.478,1002 12.237,1003 -0.265,1004 7.61,1005 9.396,1006 0.008,1007 14.807,1008 7.426,1009 11.275,1010 -0.51,1011 14.034,1012 -0.963,1013 8.423,1014 10.44,1016 16.949,1017 8.221,1018 12.7,1019 -0.749,1020 15.851,1021 -1.148,1022 9.678,1023 12.066,1024 0.001,1025 19.431,1026 9.454,1027 3.17,1028 -0.951,1029 17.685,1030 -1.8,1031 10.67,1032 13.297,1034 21.723,1035 10.429,1036 2.788,1037 11.071,1038 19.532,1039 -2.203,1040 11.846,1041 14.823,1043 24.149,1044 11.586,1045 2.271,1046 8.641,1047 21.389,1048 4.253,1049 12.919,1050 16.15,1052 26.504,1053 12.641,1054 1.986,1055 6.67,1056 23.255,1057 3.782,1058 14.069,1059 17.629,1061 28.911,1062 13.77,1063 1.8,1064 5.704,1065 25.128,1066 2.999,1067 15.178,1068 19.006,1070 31.292,1071 14.861,1072 1.642,1073 5.029,1074 27.006,1075 2.549,1076 16.319,1077 20.462,1079 33.694,1080 15.982,1081 1.414,1082 3.859,1083 28.89,1084 2.346,1085 17.446,1086 21.867,1088 36.087,1089 17.09,1090 4565,1091 7347,1092 14.622,1093 28.131,1094 33.176,1095 33.34,1096 35.572,1097 33.209,1098 33.149,1099 42.415,1100 0.8,1101 93.528,1102 31.799,1103 5.376,1104 5.249,1105 6.678,1106 5.217,1107 5.17,1108 7.253,1109 0.8,1110 17.961,1111 5.101,1112 13.049,1113 1.442,1114 1.45,1115 1.547,1116 1.444,1117 1.441,1118 1.844,1119 0.035,1120 4.066,1121 1.383,1122 4.02,1123 4.057,1124 3.982,1125 3.934,1126 5.288,1127 3.94,1128 3.789,1129 3.848,1130 3.735,1131 3.634,1132 5.101,1133 3.652,1134 3.619,1135 3.697,1136 3.456,1137 3.449,1138 5.006,1139 3.439,1140 3.392,1141 3.485,1142 3.204,1143 3.192,1144 4.978,1145 3.184,1146 3.183,1147 3.29,1148 3.055,1149 2.928,1150 4.545,1151 2.951,1152 3.079,1153 3.205,1154 2.902,1155 2.81,1156 4.392,1157 2.813,1158 3.018,1159 3.132,1160 2.857,1161 2.74,1162 4.084,1163 2.757,1164 2.834,1165 2.94,1166 2.647,1167 2.563,1168 3.965,1169 2.577,1170 0.197,1171 0.141,1172 0.294,1173 0.18,1174 0.138,1175 4.532,1176 0.185,1177 3.249,1178 0.017,1179 6.769,1180 0.481,1181 4.147,1182 0.135,1183 3.17,1184 4.253,1185 0.4,1186 11.071,1187 3.101,1188 1.967,1189 1.94,1190 2.05,1191 2.078,1192 1.222,1193 2.07,1194 1.735,1195 1.684,1196 1.918,1197 1.93,1198 1.163,1199 1.924,1200 1.607,1201 1.534,1202 1.846,1203 1.811,1204 1.006,1205 1.826,1206 1.382,1207 1.297,1208 1.625,1209 1.633,1210 0.626,1211 1.654,1212 1.115,1213 1.018,1214 1.428,1215 1.446,1216 0.498,1217 1.449,1218 1.002,1219 0.906,1220 1.287,1221 1.373,1222 0.19,1223 1.359,1224 0.957,1225 0.855,1226 1.258,1227 1.297,1228 0.135,1229 1.3,1230 0.792,1231 0.683,1232 1.128,1233 1.101,1234 0.075,1235 1.12,1236 3.85,1238 5.142,1240 6.642,1242 8.252,1244 9.92,1246 1.997,1250 23.266,1252 3.028,1253 3.257,1262 26.364,1263 64.837,1264 158.286,1265 208.114,1266 226.379,1267 226.379,1268 226.379,1269 39.814,1270 6.494,1271 141.89,1272 141.89,1273 12,1274 12.197,1275 3.7,1276 2.807,1277 42.256,1278 72,1279 94,1280 0.295,1281 169.864,1282 282.7,1283 406.229,1284 4627,1286 16.113,1287 0.732,1288 0.58,1289 16.113,1290 12.764,1291 10.562,1292 0.459,1293 0.318,1294 7.228,1295 10.208,1296 7.052,1297 5.93,1298 10.562,1299 7.321,1300 9.106,1301 0.294,1302 0.162,1303 9.106,1304 5.013,1305 7.315,1306 0.183,1307 0.085,1308 7.315,1309 3.401,1310 6.25,1311 0.12,1312 0.045,1313 6.25,1314 2.321,1315 4.686,1316 0.076,1317 0.024,1318 4.686,1319 1.496,1320 0.456,1321 65.863,1322 0.262,1323 21.668,1324 0.827,1325 108,1326 272.872,1327 117.825,1328 277.497,1329 385.83,1330 258,1331 125,1332 295.282,1333 134.02,1334 302.083,1335 439.45,1336 285,1337 5.886}
{0 CHEMBL80065,1 1.623,2 9.955,3 2.627,4 6.901,5 92.284,6 9.71,7 0.708,8 3.729,9 3.868,10 3.516,11 3.295,12 4.92,13 3.277,14 4.186,15 4.361,16 3.941,17 3.679,18 5.369,19 3.632,20 4.383,21 4.564,22 4,23 3.811,24 5.477,25 3.741,26 4.473,27 4.688,28 3.805,29 3.751,30 5.609,31 3.649,32 4.521,33 4.804,34 3.587,35 3.618,36 5.499,37 3.506,38 4.295,39 4.561,40 3.47,41 3.514,42 5.265,43 3.374,44 4.143,45 4.386,46 3.396,47 3.422,48 5.126,49 3.287,50 4.047,51 4.311,52 3.497,53 3.3,54 5.037,55 3.163,56 0.067,57 0.608,58 4.966,59 2.742,60 10.737,61 3.432,62 0.193,63 0.917,64 10.826,65 5.083,66 20.67,67 6.532,68 0.153,69 1.072,70 20.549,71 6.307,72 16.632,73 7.773,74 0.28,75 1.12,76 22.045,77 7.036,78 33.382,79 9.114,80 0.383,81 1.064,82 22.699,83 6.192,84 44.288,85 8.67,86 0.261,87 0.848,88 21.313,89 6.326,90 29.556,91 8.523,92 0.183,93 0.74,94 21.326,95 5.438,96 23.361,97 6.963,98 0.15,99 0.653,100 15.311,101 5.106,102 20.972,103 6.853,104 17,105 34,106 0.291,107 0.685,108 0.805,109 0.844,110 0.844,111 0.844,112 3.147,113 0.938,114 -4.53,115 -4.46,116 -4.2,117 1,119 40.5,120 1,125 1,139 4,140 3,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 5,169 2,170 4,172 3,173 3,175 4,178 7,180 1,182 3,187 4,189 4,191 1,192 1,193 5,195 3,196 4,197 1,198 5,200 2,201 2,204 3,205 1,212 2,215 4,218 1,221 2,224 2,225 1,226 2,228 1,229 6,231 2,234 2,241 5,246 4,250 1,251 2,253 1,254 1,256 2,260 5,265 2,268 2,270 2,273 620,274 14.585,275 14.585,276 14.585,277 14.585,278 14.585,279 12.4,280 18.538,281 8.455,282 15.041,283 11.811,284 11.811,285 11.811,286 11.811,287 11.811,288 8.59,289 25.989,290 4.019,291 12.629,292 3.587,293 1.394,294 0.723,295 0.507,296 0.507,297 0.507,298 3.825,300 1,301 1,302 1,303 469,304 2.449,307 179.896,311 94.266,314 1.417,315 17.102,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 46.75,327 219,328 4.654,329 3.314,330 6.835,331 4.185,332 3.212,333 4.616,334 0.657,335 11.231,336 3.13,337 4.02,338 2.928,339 5.805,340 3.592,341 2.642,342 3.617,344 7.884,345 2.507,346 3.896,347 2.756,348 5.406,349 3.464,350 2.514,351 3.406,353 7.122,354 2.386,355 3.46,356 2.47,357 5.096,358 3.015,359 2.118,360 2.861,362 5.923,363 1.913,364 3.434,365 2.18,366 5.009,367 2.938,368 2.026,369 2.746,371 5.802,372 1.822,373 3.354,374 2.046,375 4.884,376 2.883,377 1.963,378 2.659,380 5.653,381 1.689,382 2.707,383 1.638,384 4.244,385 2.313,386 1.361,387 1.777,389 3.545,390 1.29,391 2.5,392 1.073,393 3.414,394 2,395 1,396 1.5,398 2.275,399 1,400 2.044,401 1,402 3.346,403 1.758,404 0.834,405 0.976,407 1.944,408 0.755,409 1.454,410 0.543,411 2.84,412 1.059,413 0.149,414 0.185,415 0.356,416 0.124,417 1.197,418 0.157,419 2.809,420 0.837,421 -0.11,422 -0.136,423 -0.286,424 -0.102,425 1.062,426 0.085,427 2.586,428 0.592,429 -0.27,430 -0.337,431 -0.617,432 -0.184,433 0.841,434 -0.295,435 2.17,436 0.418,437 -0.48,438 -0.596,439 -1.187,440 -0.42,441 0.5,442 -0.527,443 2,444 0.112,445 -0.794,446 -0.973,448 -2.022,449 -0.681,450 0.442,451 -0.806,452 2,454 -1,455 -1.34,457 -2.837,458 -0.861,459 11.233,460 0.511,461 0.63,462 0.029,463 32,464 1.455,465 17.5,466 0.795,467 14.5,468 0.659,469 16.166,470 0.735,471 22.367,472 0.605,473 20.239,474 0.92,475 6.103,476 0.277,477 4.439,478 0.202,479 0.234,481 0.356,485 1.109,486 1.2,487 0.495,488 0.705,489 1.297,490 0.744,491 0.584,492 0.885,493 0.556,494 0.722,495 0.435,496 0.769,497 1.109,498 1.314,499 0.99,500 1.086,501 0.905,502 1.054,503 0.771,504 1.188,505 0.786,506 1.182,507 0.675,508 1.263,509 1.359,510 0.838,511 0.374,512 0.673,513 1.4,514 0.892,515 0.745,516 0.756,517 0.612,518 0.833,519 0.886,520 0.96,521 1.082,522 0.955,523 0.995,524 1.037,525 1.149,526 1.085,527 0.675,528 0.929,529 0.623,530 0.791,531 0.715,532 0.862,533 5,534 0.124,535 2.667,536 1.75,537 1.591,538 0.639,539 0.303,540 0.326,541 0.209,542 0.107,543 5008,544 16102,545 2.043,546 40.5,547 3,548 6,550 1,551 5,555 1.642,556 1.886,557 3.251,558 2.779,559 1,560 1,562 1,564 60.033,565 1.623,566 3.815,567 4.486,568 4.703,569 4.703,570 4.703,571 2.716,572 3.971,573 4.43,574 3.385,575 781.901,576 7.595,577 8536.49,578 1,579 1,580 1,581 1,582 192.75,583 1.495,584 4.376,585 0.208,586 0.014,587 0.078,588 0.05,589 0.055,590 0.029,591 0.015,592 0.018,593 0.012,594 0.008,595 0.488,596 0.17,597 1,598 0.65,599 101.349,600 -0.231,601 -0.019,602 -0.009,603 0.083,604 -0.339,605 0.082,606 0.283,607 0.214,608 0.05,609 0.129,610 0.314,611 0.123,612 -0.191,613 -0.252,614 -0.092,615 -0.152,616 -0.127,617 -0.14,618 0.172,619 -0.174,620 -0.097,621 -0.314,622 0.226,623 -0.344,624 -0.278,625 0.115,626 0.024,627 0.098,628 -0.291,629 0.033,630 0.107,631 0.151,632 0.011,633 0.063,634 0.029,635 0.044,636 -0.198,637 -0.019,638 -0.095,639 -0.067,640 -0.241,641 -0.087,642 0.143,643 -0.049,644 0.115,645 0.154,646 0.18,647 0.171,648 1.53,649 1.954,650 0.727,651 17.273,652 1.007,653 1.133,654 3.303,655 10.909,656 0.708,657 3.219,658 3.555,659 3.807,660 4.06,661 4.277,662 4.29,663 4.277,664 4.394,665 4.466,666 4.431,667 5.658,668 0.67,669 359.26,670 3.219,671 4.762,672 5.609,673 6.491,674 7.354,675 8.24,676 9.111,677 9.999,678 10.875,679 11.766,680 16.2,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,717 1,718 37,719 17,720 1,721 24,722 1,723 39,724 15,725 13,726 2,727 4,729 3,730 4,734 1,741 13,742 2,753 1,754 1,757 15,758 6,759 5,760 7,761 1,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,805 1,806 1,810 22,811 2,816 1,817 1,828 1,836 11.667,837 6.826,838 4.778,839 1.97,840 3.316,841 1.48,842 1.027,843 4.138,844 10.217,845 3.512,846 4.19,847 4.804,848 5.414,849 5.996,850 6.239,851 6.52,852 6.908,853 7.282,854 7.359,855 0.857,856 35,857 8.04,859 3.355,860 7.731,861 15.223,863 12.211,865 2.231,866 49.083,870 117.711,871 78.582,872 180.116,877 124.536,878 117.711,879 134.162,880 8.825,881 2.106,882 103.699,883 80.138,884 25.519,885 4.227,886 105.94,887 45.954,888 117.711,889 212.743,892 45.954,893 119.426,897 21.877,898 120.783,899 68.367,900 45.954,901 117.711,902 134.162,903 124.536,906 117.711,907 22.804,908 55.778,909 63.965,910 116.151,911 117.711,912 134.162,913 124.536,915 0.59,916 0.342,917 0.182,918 0.1,919 17,920 8,921 0.077,922 3,923 1,924 1.125,925 3.412,926 170.954,927 0.125,928 16,929 94.107,933 15.005,934 6.067,935 3.157,936 1.277,937 134.162,938 9.776,939 12.458,943 4.617,945 83.805,946 376.408,947 32.5,956 37.258,957 41.907,958 0.311,959 0.732,960 0.861,961 0.903,962 0.903,963 0.903,964 4.738,965 1,966 5.609,967 3.545,968 4.234,969 4.875,970 0.623,971 6.422,972 4.114,973 5.98,974 0.834,975 7.174,976 2.275,977 3.892,978 4.808,980 7.334,981 3.696,982 7.307,983 0.149,984 8.836,985 1.944,986 5.832,987 7.179,988 0.317,989 10.437,990 5.631,991 8.669,992 -0.11,993 10.555,994 0.356,995 6.256,996 7.899,998 12.192,999 6.017,1000 10.06,1001 -0.27,1002 12.313,1003 -0.286,1004 7.707,1005 9.777,1006 0.149,1007 14.851,1008 7.455,1009 11.473,1010 -0.48,1011 14.099,1012 -0.617,1013 8.503,1014 10.895,1016 16.989,1017 8.233,1018 12.905,1019 -0.794,1020 15.908,1021 -1.187,1022 9.761,1023 12.566,1024 0.067,1025 19.495,1026 9.475,1027 3.212,1028 -1,1029 17.736,1030 -2.022,1031 10.744,1032 13.894,1034 21.799,1035 10.444,1036 2.642,1037 11.231,1038 19.581,1039 -2.837,1040 11.929,1041 15.476,1042 0.03,1043 24.249,1044 11.61,1045 2.514,1046 7.884,1047 21.439,1048 4.616,1049 13.004,1050 16.907,1052 26.621,1053 12.668,1054 2.118,1055 7.122,1056 23.308,1057 3.617,1058 14.164,1059 18.454,1060 0.013,1061 29.051,1062 13.809,1063 2.026,1064 5.923,1065 25.186,1066 3.406,1067 15.283,1068 19.936,1070 31.45,1071 14.909,1072 1.963,1073 5.802,1074 27.073,1075 2.861,1076 16.439,1077 21.469,1078 0.006,1079 33.873,1080 16.044,1081 1.361,1082 5.653,1083 28.965,1084 2.746,1085 17.579,1086 22.975,1088 36.284,1089 17.163,1090 4888,1091 8869,1092 15.72,1093 26.194,1094 35.964,1095 36.195,1096 37.092,1097 35.831,1098 35.64,1099 48.689,1100 1.315,1101 103.468,1102 33.231,1103 5.481,1104 5.314,1105 6.249,1106 5.26,1107 5.212,1108 7.616,1109 1.315,1110 18.466,1111 5.13,1112 11.595,1113 1.498,1114 1.508,1115 1.545,1116 1.493,1117 1.485,1118 2.029,1119 0.055,1120 4.311,1121 1.385,1122 4.071,1123 4.112,1124 6.88,1125 3.961,1126 5.321,1127 3.976,1128 3.893,1129 3.924,1130 4.046,1131 3.846,1132 4.982,1133 3.83,1134 3.546,1135 3.612,1136 3.752,1137 3.364,1138 4.822,1139 3.385,1140 3.216,1141 3.308,1142 3.464,1143 3.029,1144 4.755,1145 3.015,1146 3.136,1147 3.232,1148 3.054,1149 2.917,1150 4.228,1151 2.919,1152 3.023,1153 3.152,1154 2.996,1155 2.735,1156 4.054,1157 2.724,1158 2.854,1159 2.925,1160 2.806,1161 2.713,1162 3.974,1163 2.715,1164 2.797,1165 2.858,1166 2.687,1167 2.685,1168 3.674,1169 2.664,1170 0.194,1171 0.138,1172 0.285,1173 0.174,1174 0.134,1175 4.654,1176 0.192,1177 3.314,1178 0.027,1179 6.835,1180 0.468,1181 4.185,1182 0.13,1183 3.212,1184 4.616,1185 0.657,1186 11.231,1187 3.13,1188 1.998,1189 1.967,1190 2.062,1191 2.133,1192 1.228,1193 2.112,1194 1.877,1195 1.852,1196 1.954,1197 1.964,1198 1.068,1199 1.973,1200 1.479,1201 1.418,1202 1.626,1203 1.699,1204 0.736,1205 1.69,1206 1.194,1207 1.105,1208 1.528,1209 1.453,1210 0.559,1211 1.482,1212 1.045,1213 0.965,1214 1.274,1215 1.361,1216 0.218,1217 1.344,1218 0.946,1219 0.826,1220 1.254,1221 1.327,1222 0.207,1223 1.328,1224 0.886,1225 0.821,1226 1.181,1227 1.062,1228 0.066,1229 1.107,1230 0.761,1231 0.708,1232 0.949,1233 0.966,1235 0.981,1236 3.892,1238 5.22,1240 6.749,1242 8.375,1244 10.054,1245 3.418,1246 1.985,1250 11.555,1252 0.639,1253 3.357,1262 24.788,1263 60.033,1264 141.166,1265 165.995,1266 173.995,1267 173.995,1268 173.995,1269 28.212,1270 6.902,1271 102.74,1272 102.74,1273 18,1274 12.297,1275 4.17,1276 3.248,1277 34.625,1278 74,1279 80,1280 0.231,1281 161.736,1282 262.44,1283 386.395,1284 8522,1285 2.7,1286 15.69,1287 0.713,1288 0.616,1289 16.69,1290 13.554,1291 10.542,1292 0.439,1293 0.313,1294 6.673,1295 9.635,1296 6.434,1297 5.355,1298 11.119,1299 7.503,1300 9.791,1301 0.288,1302 0.172,1303 10.608,1304 5.85,1305 8.021,1306 0.182,1307 0.091,1308 8.598,1309 3.99,1310 6.765,1311 0.119,1312 0.045,1313 7.098,1314 2.541,1315 5.233,1316 0.074,1317 0.024,1318 5.705,1319 1.72,1320 0.362,1321 73.924,1322 0.252,1323 21.732,1324 0.637,1325 116,1326 322.547,1327 191.751,1328 361.329,1329 491.02,1330 336,1331 136,1332 346.212,1333 173.756,1334 367.382,1335 534.67,1336 345,1337 7.457}
{0 CHEMBL80066,1 1.623,2 9.318,3 2.543,4 6.466,5 89.466,6 8.508,7 0.708,8 3.732,9 3.87,10 3.399,11 3.277,12 4.936,13 3.27,14 4.189,15 4.364,16 3.786,17 3.654,18 5.395,19 3.622,20 4.388,21 4.569,22 3.841,23 3.78,24 5.504,25 3.729,26 4.477,27 4.691,28 3.778,29 3.735,30 5.646,31 3.652,32 4.528,33 4.804,34 3.46,35 3.636,36 5.524,37 3.521,38 4.302,39 4.563,40 3.346,41 3.503,42 5.3,43 3.373,44 4.143,45 4.392,46 3.329,47 3.4,48 5.148,49 3.29,50 4.062,51 4.312,52 3.374,53 3.295,54 5.147,55 3.182,56 0.075,57 0.605,58 6.345,59 2.659,60 11.455,61 3.452,62 0.202,63 0.902,64 11.878,65 4.873,66 21.703,67 6.487,68 0.185,69 1.044,70 16.732,71 5.709,72 20.47,73 7.591,74 0.321,75 1.087,76 18.549,77 6.489,78 35.892,79 8.954,80 0.416,81 1.027,82 23.871,83 6.117,84 49.015,85 8.718,86 0.294,87 0.819,88 19.182,89 5.992,90 33.391,91 8.398,92 0.186,93 0.715,94 14.453,95 4.828,96 24.33,97 6.762,98 0.206,99 0.615,100 15.822,101 4.808,102 25.372,103 6.73,104 17,105 34,106 0.291,107 0.685,108 0.825,109 0.883,110 0.883,111 0.883,112 3.147,113 0.886,114 -4.41,115 -4.34,116 -4.09,119 40.5,120 1,125 1,139 4,140 3,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 5,169 2,170 4,172 3,173 3,175 4,178 8,180 1,182 3,187 3,189 2,191 1,192 1,193 5,195 3,196 4,197 1,198 7,200 2,201 3,204 3,205 1,212 1,215 3,218 1,221 2,224 2,225 1,226 2,228 1,229 7,231 2,234 1,241 4,246 6,250 1,251 2,253 1,254 4,256 2,260 2,265 1,270 1,273 612,274 14.585,275 14.585,276 14.585,277 14.585,278 14.585,279 12.4,280 18.495,281 8.488,282 15.013,283 11.828,284 11.828,285 11.828,286 11.828,287 11.828,288 8.596,289 27.22,290 4.033,291 12.579,292 3.587,293 1.394,294 0.615,295 0.291,296 0.291,297 0.291,298 3.825,299 1,300 1,301 1,302 1,303 438,304 2.449,307 178.462,311 93.047,314 1.5,315 19.265,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47.333,327 205,328 4.654,329 3.314,330 6.835,331 4.185,332 3.212,333 4.616,334 0.657,335 11.231,336 3.13,337 4.048,338 2.992,339 5.806,340 3.617,341 2.67,342 3.65,344 7.895,345 2.522,346 3.897,347 2.749,348 5.496,349 3.472,350 2.52,351 3.406,353 7.394,354 2.395,355 3.455,356 2.412,357 5.097,358 2.998,359 2.073,360 2.861,362 5.918,363 1.914,364 3.4,365 2.173,366 5.009,367 2.912,368 2,369 2.719,371 5.796,372 1.822,373 3.279,374 2.045,375 4.746,376 2.833,377 1.925,378 2.535,380 5.288,381 1.671,382 2.71,383 1.638,384 4.242,385 2.314,386 1.362,387 1.784,389 3.541,390 1.29,391 2.669,392 1.3,393 3.493,394 2.18,395 1.206,396 1.746,398 2.629,399 1.149,400 1.999,401 0.953,402 3.32,403 1.71,404 0.768,405 0.916,407 1.821,408 0.721,409 1.386,410 0.302,411 2.834,412 0.996,413 0.059,414 0.074,415 0.147,416 0.055,417 1.19,418 0.204,419 2.803,420 0.836,421 -0.116,422 -0.143,423 -0.302,424 -0.111,425 0.964,426 0.104,427 2.582,428 0.497,429 -0.394,430 -0.502,431 -0.89,432 -0.255,433 0.883,434 -0.288,435 2.168,436 0.402,437 -0.452,438 -0.572,439 -1.156,440 -0.402,441 0.654,442 -0.443,443 2,444 0.254,445 -0.67,446 -0.812,448 -1.722,449 -0.618,450 0.424,451 -0.733,452 2,453 0.069,454 -0.867,455 -1.126,457 -2.209,458 -0.807,459 10.614,460 0.482,461 0.63,462 0.029,463 32.25,464 1.466,465 17.5,466 0.795,467 14.75,468 0.67,469 14.952,470 0.68,471 22.986,472 0.621,473 21.587,474 0.981,475 6.374,476 0.29,477 4.167,478 0.189,479 0.19,481 0.377,485 1.017,486 1.236,487 0.631,488 0.807,489 1.173,490 0.771,491 0.585,492 0.92,493 0.599,494 0.811,495 0.441,496 0.795,497 1.108,498 1.331,499 1.001,500 1.119,501 0.957,502 1.056,503 0.662,504 1.199,505 0.894,506 1.265,507 0.606,508 1.243,509 1.399,510 0.824,511 1.066,512 0.835,513 1.371,514 0.971,515 0.816,516 0.767,517 0.969,518 0.97,519 0.93,520 1.019,521 0.927,522 0.939,523 0.804,524 0.884,525 0.996,526 0.955,527 0.752,528 0.978,529 0.93,530 0.992,531 0.748,532 0.933,533 5,534 0.07,535 2.444,536 2,537 1.591,538 0.583,539 0.304,540 0.333,541 0.156,542 0.161,543 4940,544 15654,545 2.043,546 40.5,547 3,548 6,550 1,551 5,555 1.643,556 1.886,557 3.187,558 2.779,559 1,560 1,562 1,564 60.033,565 1.623,566 3.815,567 4.594,568 4.919,569 4.919,570 4.919,571 2.704,572 4.096,573 4.432,574 3.344,575 772.369,576 7.602,577 8430.85,578 1,579 1,581 1,582 192.75,583 1.495,584 4.376,585 0.208,586 0.007,587 0.072,588 0.057,589 0.053,590 0.027,591 0.015,592 0.018,593 0.009,594 0.012,595 0.478,596 0.17,597 1,598 0.65,599 101.079,600 -0.21,601 -0.03,602 -0.011,603 0.094,604 -0.308,605 0.084,606 0.235,607 0.195,608 0.126,609 0.128,610 0.278,611 0.119,612 -0.193,613 -0.259,614 -0.13,615 -0.166,616 -0.161,617 -0.136,618 0.237,619 -0.176,620 -0.078,621 -0.333,622 0.254,623 -0.308,624 -0.359,625 0.126,626 -0.17,627 0.077,628 -0.334,629 -0.017,630 0.046,631 0.141,632 -0.039,633 0.024,634 -0.029,635 0.005,636 -0.104,637 0.001,638 0.048,639 0.094,640 -0.137,641 0.05,642 0.193,643 -0.103,644 0.195,645 0.052,646 0.223,647 0.117,648 1.54,649 1.945,650 0.727,651 16.909,652 1.01,653 1.135,654 3.181,655 10.116,656 0.695,657 3.219,658 3.555,659 3.807,660 4.078,661 4.263,662 4.29,663 4.29,664 4.394,665 4.454,666 4.466,667 5.557,668 0.665,669 314.81,670 3.219,671 4.762,672 5.609,673 6.494,674 7.356,675 8.245,676 9.113,677 10.005,678 10.879,679 11.772,680 16.2,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,717 1,718 37,719 17,720 1,721 24,723 39,724 15,725 13,726 2,727 4,729 3,730 4,731 1,734 1,741 13,742 2,753 1,754 1,757 15,758 6,759 5,760 7,761 1,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,807 1,810 22,811 2,816 1,817 1,828 1,836 11.667,837 6.826,838 4.778,839 1.97,840 3.326,841 1.482,842 1.021,843 4.007,844 10.227,845 3.512,846 4.19,847 4.804,848 5.424,849 5.985,850 6.241,851 6.527,852 6.906,853 7.28,854 7.376,855 1,856 35,857 8.033,859 3.369,860 7.793,861 15.114,863 12.126,865 2.293,866 50.444,870 117.711,871 79.027,872 134.162,873 39.149,877 79.027,878 156.86,879 134.162,880 8.825,881 2.106,882 103.699,883 80.138,884 25.964,885 4.227,886 105.94,887 39.149,888 117.711,889 213.189,891 39.149,893 119.426,897 21.877,898 121.229,899 107.516,901 117.711,902 134.162,903 118.176,906 117.711,907 23.249,908 55.778,909 18.011,910 155.3,911 117.711,912 134.162,913 118.176,915 0.589,916 0.341,917 0.188,918 0.097,919 17,920 8,921 0.077,922 3,923 1,924 1.125,925 3.399,926 171.548,927 0.125,928 16,929 98.107,933 14.818,934 5.949,935 3.083,936 1.244,937 134.162,938 9.307,939 12.423,943 4.086,945 83.805,946 370.048,947 32.5,956 37.353,957 42.01,958 0.311,959 0.732,960 0.882,961 0.944,962 0.944,963 0.944,964 4.738,965 1.206,966 5.609,967 3.541,968 4.234,969 4.875,970 0.623,971 6.425,972 4.12,973 5.98,974 0.768,975 7.174,976 2.629,977 3.892,978 4.808,980 7.334,981 3.711,982 7.307,983 0.059,984 8.837,985 1.821,986 5.832,987 7.179,988 0.317,989 10.447,990 5.639,991 8.669,992 -0.116,993 10.557,994 0.147,995 6.256,996 7.899,998 12.199,999 6.027,1000 10.06,1001 -0.394,1002 12.315,1003 -0.302,1004 7.709,1005 9.779,1006 0.149,1007 14.862,1008 7.463,1009 11.474,1010 -0.452,1011 14.103,1012 -0.89,1013 8.509,1014 10.899,1016 16.997,1017 8.243,1018 12.906,1019 -0.67,1020 15.913,1021 -1.156,1022 9.768,1023 12.571,1024 0.067,1025 19.503,1026 9.483,1027 3.212,1028 -0.867,1029 17.742,1030 -1.722,1031 10.754,1032 13.899,1034 21.804,1035 10.452,1036 2.67,1037 11.231,1038 19.587,1039 -2.209,1040 11.939,1041 15.481,1042 0.03,1043 24.254,1044 11.617,1045 2.52,1046 7.895,1047 21.445,1048 4.616,1049 13.014,1050 16.913,1052 26.624,1053 12.675,1054 2.073,1055 7.394,1056 23.314,1057 3.65,1058 14.175,1059 18.458,1060 0.013,1061 29.054,1062 13.815,1063 2,1064 5.918,1065 25.192,1066 3.406,1067 15.293,1068 19.94,1070 31.452,1071 14.915,1072 1.925,1073 5.796,1074 27.079,1075 2.861,1076 16.448,1077 21.473,1078 0.006,1079 33.874,1080 16.048,1081 1.362,1082 5.288,1083 28.971,1084 2.719,1085 17.588,1086 22.979,1088 36.285,1089 17.167,1090 4824,1091 8693,1092 15.72,1093 25.699,1094 35.913,1095 36.019,1096 37.087,1097 35.77,1098 35.591,1099 48.614,1100 1.315,1101 103.32,1102 33.34,1103 5.482,1104 5.314,1105 6.396,1106 5.26,1107 5.212,1108 7.616,1109 1.315,1110 18.467,1111 5.13,1112 11.502,1113 1.496,1114 1.501,1115 1.545,1116 1.49,1117 1.483,1118 2.026,1119 0.055,1120 4.305,1121 1.389,1122 4.071,1123 4.112,1124 4.055,1125 3.96,1126 5.321,1127 3.976,1128 3.895,1129 3.926,1130 3.98,1131 3.83,1132 4.982,1133 3.825,1134 3.546,1135 3.613,1136 3.505,1137 3.361,1138 4.949,1139 3.383,1140 3.215,1141 3.309,1142 3.327,1143 3.002,1144 4.805,1145 3.003,1146 3.136,1147 3.233,1148 3.053,1149 2.886,1150 4.399,1151 2.907,1152 3.023,1153 3.152,1154 2.992,1155 2.79,1156 4.191,1157 2.765,1158 2.878,1159 2.922,1160 2.809,1161 2.705,1162 4.034,1163 2.722,1164 2.788,1165 2.865,1166 2.654,1167 2.623,1168 3.926,1169 2.624,1170 0.194,1171 0.138,1172 0.285,1173 0.174,1174 0.134,1175 4.654,1176 0.192,1177 3.314,1178 0.027,1179 6.835,1180 0.468,1181 4.185,1182 0.13,1183 3.212,1184 4.616,1185 0.657,1186 11.231,1187 3.13,1188 1.998,1189 1.967,1190 2.063,1191 2.133,1192 1.228,1193 2.112,1194 1.875,1195 1.85,1196 1.964,1197 1.969,1198 1.058,1199 1.976,1200 1.479,1201 1.418,1202 1.628,1203 1.701,1204 0.734,1205 1.691,1206 1.195,1207 1.104,1208 1.531,1209 1.457,1210 0.559,1211 1.484,1212 1.047,1213 0.962,1214 1.283,1215 1.364,1216 0.226,1217 1.345,1218 0.946,1219 0.826,1220 1.258,1221 1.329,1222 0.16,1223 1.332,1224 0.868,1225 0.824,1226 1.104,1227 1.023,1228 0.089,1229 1.063,1230 0.769,1231 0.701,1232 1.013,1233 0.982,1235 1.004,1236 3.892,1238 5.22,1240 6.749,1242 8.377,1244 10.057,1246 1.967,1247 5.974,1250 11.54,1252 0.596,1253 3.307,1262 24.59,1263 60.033,1264 141.166,1265 169.995,1266 181.995,1267 181.995,1268 181.995,1269 29.321,1270 6.902,1271 102.74,1272 102.74,1273 18,1274 12.303,1275 4.17,1276 3.248,1277 34.576,1278 73,1279 66,1280 0.235,1281 158.155,1282 258.37,1283 377.658,1284 8522,1285 2.7,1286 15.69,1287 0.713,1288 0.578,1289 16.19,1290 12.724,1291 10.542,1292 0.439,1293 0.295,1294 6.654,1295 9.899,1296 6.434,1297 5.356,1298 10.83,1299 7.088,1300 9.803,1301 0.288,1302 0.158,1303 10.211,1304 5.374,1305 7.93,1306 0.18,1307 0.084,1308 8.193,1309 3.677,1310 6.969,1311 0.12,1312 0.043,1313 7.237,1314 2.497,1315 5.119,1316 0.073,1317 0.022,1318 5.296,1319 1.535,1320 0.366,1321 68.728,1322 0.252,1323 21.658,1324 0.651,1325 116,1326 330.096,1327 141.4,1328 361.394,1329 491.04,1330 336,1331 136,1332 349.342,1333 155.251,1334 367.518,1335 534.96,1336 345,1337 7.432}
{0 CHEMBL80067,1 1.373,2 10,3 3.36,4 11.29,5 106.88,6 6.425,7 0.444,8 4.041,9 4.202,10 3.469,11 3.528,12 5.071,13 3.483,14 4.588,15 4.806,16 3.83,17 3.942,18 5.524,19 3.861,20 4.877,21 5.128,22 3.946,23 4.132,24 5.746,25 4.03,26 4.967,27 5.217,28 3.957,29 4.198,30 5.89,31 4.075,32 5.065,33 5.334,34 3.853,35 4.213,36 5.983,37 4.062,38 5.07,39 5.381,40 3.67,41 4.097,42 5.922,43 3.905,44 4.855,45 5.179,46 3.399,47 3.841,48 5.646,49 3.642,50 4.553,51 4.862,52 3.259,53 3.597,54 5.357,55 3.431,56 0.084,57 0.819,58 12.934,59 4.381,60 13.184,61 6.945,62 0.231,63 1.269,64 22.507,65 8.023,66 24.613,67 12.239,68 0.263,69 1.571,70 30.253,71 9.671,72 27.345,73 15.612,74 0.285,75 1.687,76 33.011,77 10.902,78 38.953,79 17.348,80 0.334,81 1.745,82 36.63,83 11.156,84 51.75,85 18.394,86 0.39,87 1.576,88 36.748,89 11.548,90 58.805,91 18.645,92 0.357,93 1.229,94 29.722,95 9.002,96 42.979,97 14.686,98 0.218,99 0.955,100 21.882,101 6.548,102 31.615,103 10.852,104 27,105 38,106 0.231,107 0.558,108 0.738,109 0.823,110 0.84,111 0.84,112 3.267,113 1.006,114 -4.47,115 -4.4,116 -4.14,119 35.8,120 1,121 6,124 1,127 1,139 3,140 2,141 2,143 1,144 1,147 1,157 3,158 3,159 3,166 9,169 1,170 6,172 3,173 3,175 2,178 9,180 2,182 7,184 1,185 1,187 3,189 6,191 3,193 7,195 1,196 1,197 1,198 7,200 2,201 5,204 7,205 1,207 4,212 6,215 9,218 6,223 2,224 2,225 1,226 5,228 2,229 8,231 5,232 1,233 2,234 1,236 1,237 1,239 3,241 6,243 3,246 1,250 1,253 2,254 3,258 1,260 4,262 1,263 1,265 2,268 3,270 2,273 806,274 16.715,275 16.715,276 16.715,277 16.715,278 16.715,279 15.197,280 20.759,281 9.74,282 17.01,283 13.228,284 13.228,285 13.228,286 13.228,287 13.228,288 10.884,289 29.144,290 4.5,291 13.731,292 4.355,293 2.417,294 1.354,295 0.849,296 0.745,297 0.745,298 3.944,300 1,301 1,302 1,303 529,304 2.828,307 257.124,314 1.6,315 18.56,317 1,318 0.75,319 0.83,320 0.83,321 0.9,322 1,323 0.83,324 1,325 0.88,326 53,327 250,328 4.539,329 3.312,330 6.775,331 4.162,332 3.188,333 4.257,334 0.8,335 11.089,336 3.111,337 4.272,338 3.199,339 6.568,340 3.972,341 3.021,342 3.836,344 10.245,345 2.872,346 3.741,347 2.612,348 5.684,349 3.482,350 2.513,351 3.064,353 7.536,354 2.436,355 3.502,356 2.319,357 5.305,358 3.177,359 2.232,360 2.652,362 6.582,363 2.105,364 3.299,365 2.22,366 5.038,367 2.934,368 1.986,369 2.546,371 5.703,372 1.878,373 3.104,374 1.917,375 4.791,376 2.76,377 1.804,378 2.29,380 5.051,381 1.719,382 2.872,383 1.735,384 4.403,385 2.584,386 1.615,387 1.982,389 4.041,390 1.561,391 2.547,392 1.393,393 3.804,394 2.325,395 1.338,396 1.551,398 3.128,399 1.32,400 2,401 1,402 3.403,403 2,404 1,405 1,407 2.136,408 1,409 1.936,410 0.947,411 3.264,412 1.795,413 0.827,414 0.898,415 1.98,416 0.798,417 1.678,418 0.626,419 3.247,420 1.497,421 0.516,422 0.581,423 0.957,424 0.506,425 1.293,426 0.143,427 2.747,428 0.981,429 0.034,430 0.041,431 0.076,432 0.032,433 1,434 -0.082,435 2.498,436 0.673,437 -0.276,438 -0.331,439 -0.66,440 -0.26,441 0.826,442 -0.305,443 2.398,444 0.439,445 -0.478,446 -0.587,448 -1.148,449 -0.437,450 0.664,451 -0.601,452 2.252,453 0.257,454 -0.716,455 -0.752,457 -1.609,458 -0.692,459 11.9,460 0.476,461 0.665,462 0.027,463 30,464 1.2,465 14,466 0.56,467 16,468 0.64,469 23.604,470 0.944,471 28.3,472 0.534,473 21.385,474 0.855,475 5.235,476 0.209,477 6.772,478 0.271,479 0.185,481 0.37,485 1.214,486 1.363,487 0.999,488 1.111,489 1.344,490 1.042,491 0.647,492 1.101,493 0.856,494 1.061,495 0.372,496 0.995,497 1.019,498 1.102,499 0.936,500 0.993,501 0.715,502 0.96,503 0.9,504 1.206,505 1.027,506 1.168,507 0.666,508 1.121,509 1.229,510 1.149,511 1.19,512 1.154,513 1.366,514 1.165,515 0.82,516 0.947,517 0.967,518 1.011,519 1.002,520 1.007,521 0.882,522 0.818,523 0.942,524 0.899,525 1.142,526 0.924,527 0.922,528 0.985,529 0.908,530 0.944,531 0.855,532 0.927,533 5,534 0.083,535 3.111,536 2.75,537 1.729,538 0.951,539 0.585,540 0.413,541 0.251,542 0.136,543 6625,544 13491,545 2.015,546 52.8,547 9,548 7,551 6,552 2,553 4,555 1.681,556 1.852,557 3.264,558 3.451,559 1,560 1,564 72.753,565 1.373,566 3.311,567 4.374,568 4.878,569 4.982,570 4.982,571 2.713,572 4.324,573 4.615,574 3.424,575 1027.35,576 7.987,577 12203.6,579 1,581 1,582 303.58,583 1.516,584 4.555,585 0.185,586 0.005,587 0.082,588 0.065,589 0.042,590 0.027,591 0.021,592 0.02,593 0.013,594 0.008,595 0.468,597 1,598 0.836,599 119.648,600 -0.142,601 -0.018,602 0.023,603 0.062,604 -0.203,605 0.062,606 0.273,607 0.073,608 0.135,609 0.052,610 0.312,611 0.073,612 -0.023,613 -0.008,614 0.057,615 0.052,616 0.054,617 0.062,618 0.03,619 -0.122,620 -0.045,621 -0.113,622 0.164,623 -0.092,624 -0.195,625 -0.107,626 -0.2,627 -0.153,628 -0.19,629 -0.174,630 0.083,631 -0.036,632 -0.001,633 -0.05,634 0.046,635 -0.038,636 0.086,637 0.066,638 0.03,639 0.028,640 -0.071,641 0.023,642 0.047,643 -0.063,644 0.068,645 0.007,646 0.081,647 0.035,648 1.459,649 2.39,650 0.72,651 21.03,652 0.987,653 1.143,654 3.239,655 10.491,656 0.63,657 3.332,658 3.664,659 3.951,660 4.22,661 4.394,662 4.419,663 4.489,664 4.585,665 4.585,666 4.595,667 5.875,668 0.583,669 340.53,670 3.332,671 4.875,672 5.733,673 6.621,674 7.495,675 8.388,676 9.267,677 10.163,678 11.044,679 11.941,680 11.3,684 3,686 1,690 2,695 3,696 2,700 7,702 12,711 3,714 1,718 53,719 12,720 1,721 27,723 55,724 19,725 10,726 3,727 3,729 3,730 3,734 1,736 6,739 7,741 10,742 9,753 1,754 1,757 28,758 6,759 6,760 6,764 6,769 1,776 1,781 3,802 3,806 2,810 25,811 3,816 6,820 1,821 1,836 13.5,837 9.683,838 5.583,839 3.419,840 2.318,841 1.33,842 0.981,843 5.45,844 9.334,845 3.526,846 4.111,847 4.677,848 5.247,849 5.758,850 6.028,851 6.35,852 6.707,853 6.946,854 7.203,855 0.857,856 42,857 9.236,859 3.852,860 7.58,861 18.085,863 14.992,865 2.08,866 52,868 1,869 1,870 258.964,871 79.726,872 135.387,877 79.726,878 258.964,879 135.387,880 17.222,881 15.207,882 127.12,883 33.571,884 17.766,885 4.227,886 258.964,888 258.964,889 215.113,893 211.88,894 47.084,897 28.688,898 152.854,899 33.571,901 258.964,902 135.387,903 79.726,906 258.964,907 34.076,908 48.775,910 132.263,911 258.964,912 135.387,913 79.726,915 0.582,916 0.355,917 0.2,918 0.104,919 18,920 9,921 0.073,922 4,924 1,925 3.57,926 207.596,928 18,929 112.096,933 17.962,934 7.586,935 3.725,937 135.387,938 6.1,939 8.437,943 5.046,945 98.692,946 474.077,947 33,956 52.33,957 60.557,958 0.24,959 0.578,960 0.764,961 0.852,962 0.87,963 0.87,964 4.779,965 1.338,966 5.733,967 4.041,968 4.344,969 4.796,970 0.673,971 6.575,972 4.271,973 5.98,974 1,975 7.317,976 3.128,977 4.007,978 4.677,979 0.325,980 7.554,981 3.876,982 7.294,983 0.827,984 9.002,985 2.136,986 5.964,987 6.97,988 0.379,989 10.68,990 5.82,991 8.643,992 0.516,993 10.748,994 1.98,995 6.431,996 7.646,997 0.268,998 12.483,999 6.234,1000 10.025,1001 0.034,1002 12.531,1003 0.957,1004 7.883,1005 9.459,1006 0.239,1007 15.137,1008 7.672,1009 11.43,1010 -0.276,1011 14.342,1012 0.076,1013 8.719,1014 10.507,1015 0.188,1016 17.279,1017 8.464,1018 12.853,1019 -0.478,1020 16.172,1021 -0.66,1022 9.975,1023 12.12,1024 0.156,1025 19.766,1026 9.702,1027 3.188,1028 -0.716,1029 18.016,1030 -1.148,1031 10.98,1032 13.354,1033 0.125,1034 22.049,1035 10.669,1036 3.021,1037 11.089,1038 19.872,1039 -1.609,1040 12.16,1041 14.874,1042 0.102,1043 24.472,1044 11.827,1045 2.513,1046 10.245,1047 21.737,1048 4.257,1049 13.24,1050 16.203,1051 0.082,1052 26.815,1053 12.874,1054 2.232,1055 7.536,1056 23.609,1057 3.836,1058 14.393,1059 17.678,1060 0.066,1061 29.215,1062 14.003,1063 1.986,1064 6.582,1065 25.487,1066 3.064,1067 15.507,1068 19.057,1069 0.054,1070 31.583,1071 15.087,1072 1.804,1073 5.703,1074 27.37,1075 2.652,1076 16.651,1077 20.511,1078 0.043,1079 33.975,1080 16.206,1081 1.615,1082 5.051,1083 29.256,1084 2.546,1085 17.78,1086 21.917,1087 0.035,1088 36.355,1089 17.308,1090 6527,1091 9482,1092 17.512,1093 33.41,1094 40.234,1095 40.112,1096 42.639,1097 40.226,1098 40.147,1099 49.397,1100 1.6,1101 117.049,1102 38.677,1103 5.539,1104 5.312,1105 6.577,1106 5.233,1107 5.188,1108 7.257,1109 1.2,1110 18.255,1111 5.111,1112 13.862,1113 1.49,1114 1.486,1115 1.579,1116 1.49,1117 1.487,1118 1.83,1119 0.059,1120 4.335,1121 1.432,1122 4.036,1123 4.075,1124 3.993,1125 3.946,1126 5.288,1127 3.952,1128 3.871,1129 3.929,1130 3.783,1131 3.745,1132 5.096,1133 3.739,1134 3.746,1135 3.799,1136 3.651,1137 3.613,1138 4.978,1139 3.622,1140 3.394,1141 3.486,1142 3.205,1143 3.199,1144 4.543,1145 3.189,1146 3.333,1147 3.424,1148 3.181,1149 3.12,1150 4.399,1151 3.124,1152 3.111,1153 3.218,1154 2.967,1155 2.941,1156 4.266,1157 2.91,1158 3.102,1159 3.206,1160 2.866,1161 2.843,1162 3.969,1163 2.861,1164 3.019,1165 3.133,1166 2.858,1167 2.791,1168 3.961,1169 2.791,1170 0.168,1171 0.123,1172 0.251,1173 0.154,1174 0.118,1175 4.539,1176 0.158,1177 3.312,1178 0.03,1179 6.775,1180 0.411,1181 4.162,1182 0.115,1183 3.188,1184 4.257,1185 0.8,1186 11.089,1187 3.111,1188 1.978,1189 1.949,1190 2.11,1191 2.095,1192 1.487,1193 2.097,1194 1.863,1195 1.81,1196 2.027,1197 2.016,1198 1.198,1199 2.024,1200 1.708,1201 1.659,1202 1.871,1203 1.876,1204 1.034,1205 1.875,1206 1.389,1207 1.304,1208 1.661,1209 1.635,1210 0.849,1211 1.659,1212 1.31,1213 1.222,1214 1.59,1215 1.565,1216 0.825,1217 1.587,1218 1.153,1219 1.064,1220 1.513,1221 1.378,1222 0.625,1223 1.429,1224 1.018,1225 0.929,1226 1.396,1227 1.376,1228 0.552,1229 1.362,1230 0.999,1231 0.898,1232 1.287,1233 1.297,1234 0.19,1235 1.306,1236 4.007,1238 5.333,1240 6.868,1242 8.499,1244 10.179,1246 4.165,1250 18.227,1252 7.135,1256 0.568,1257 2.321,1262 30.923,1263 72.753,1264 175.485,1265 231.831,1266 258.56,1267 264.07,1268 264.07,1269 41.526,1270 7.017,1271 107.08,1272 107.08,1273 18,1274 12.468,1275 3.7,1276 2.807,1277 41.752,1278 90,1279 84,1280 0.237,1281 194.046,1282 328.54,1283 465.233,1284 9375,1286 17.974,1287 0.719,1288 0.605,1289 17.974,1290 15.126,1291 12.007,1292 0.445,1293 0.335,1294 8.965,1295 11.669,1296 8.7,1297 7.29,1298 12.007,1299 9.055,1300 10.771,1301 0.283,1302 0.179,1303 10.771,1304 6.819,1305 9.094,1306 0.178,1307 0.102,1308 9.094,1309 5.183,1310 7.916,1311 0.118,1312 0.057,1313 7.916,1314 3.813,1315 5.929,1316 0.074,1317 0.033,1318 5.929,1319 2.603,1320 0.367,1321 74.348,1322 0.239,1323 24.056,1324 0.667,1325 130,1326 290.872,1327 139.825,1328 295.439,1329 417.57,1330 276,1331 154,1332 325.986,1333 163.686,1334 334.303,1335 489.16,1336 315,1337 5.071}
{0 CHEMBL80070,1 1.588,2 10.043,3 1.862,4 3.467,5 91.125,6 7.571,7 0.68,8 3.828,9 3.967,10 3.398,11 3.307,12 5.019,13 3.312,14 4.297,15 4.482,16 3.742,17 3.664,18 5.458,19 3.649,20 4.449,21 4.628,22 3.813,23 3.802,24 5.542,25 3.773,26 4.582,27 4.794,28 3.755,29 3.815,30 5.714,31 3.735,32 4.671,33 4.954,34 3.488,35 3.731,36 5.622,37 3.618,38 4.45,39 4.72,40 3.34,41 3.58,42 5.401,43 3.457,44 4.306,45 4.571,46 3.263,47 3.471,48 5.234,49 3.361,50 4.226,51 4.491,52 3.267,53 3.355,54 5.223,55 3.264,56 0.067,57 0.657,58 8.366,59 3.045,60 11.436,61 4.243,62 0.266,63 0.968,64 15.027,65 5.356,66 26.202,67 7.351,68 0.169,69 1.135,70 16.972,71 5.768,72 16.972,73 8.33,74 0.322,75 1.209,76 20.349,77 7.118,78 36.208,79 10.372,80 0.421,81 1.155,82 25.376,83 6.53,84 48.181,85 10.526,86 0.326,87 0.935,88 19.901,89 6.281,90 34.406,91 9.424,92 0.193,93 0.817,94 16.959,95 5.465,96 25.683,97 8.308,98 0.229,99 0.73,100 15.972,101 5.18,102 25.985,103 7.78,104 18,105 35,106 0.279,107 0.668,108 0.824,109 0.876,110 0.876,111 0.876,112 3.188,113 0.856,114 -3.65,115 -3.62,116 -3.45,119 39,120 1,124 1,125 1,139 4,140 3,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 5,169 2,170 6,172 3,173 3,175 4,178 6,180 1,182 4,187 3,189 1,191 1,192 1,193 6,195 3,196 5,197 1,198 6,200 2,201 2,204 3,205 1,212 1,215 3,218 1,221 3,224 2,225 1,226 2,228 1,229 6,231 2,234 2,241 3,245 1,246 7,250 1,251 2,253 1,254 2,256 2,260 2,265 1,270 1,273 700,274 15.455,275 15.455,276 15.455,277 15.455,278 15.455,279 13.322,280 21.208,281 8.991,282 15.926,283 12.256,284 12.256,285 12.256,286 12.256,287 12.256,288 9.019,289 31.669,290 4.179,291 12.927,292 3.77,293 1.56,294 0.671,295 0.378,296 0.378,297 0.378,298 3.868,300 1,301 1,302 1,303 492,304 2.646,307 189.913,311 99.153,314 1.44,315 19.2,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50,327 231,328 4.654,329 3.314,330 6.835,331 4.185,332 3.212,333 4.616,334 0.86,335 11.231,336 3.13,337 4.072,338 2.93,339 5.806,340 3.66,341 2.699,342 3.671,343 0.657,344 7.916,345 2.591,346 3.9,347 2.74,348 5.58,349 3.486,350 2.529,351 3.407,353 7.627,354 2.419,355 3.456,356 2.405,357 5.098,358 3.039,359 2.109,360 2.861,362 5.965,363 1.954,364 3.413,365 2.174,366 5.016,367 2.95,368 2.021,369 2.724,371 5.827,372 1.876,373 3.326,374 2.045,375 4.947,376 2.888,377 1.958,378 2.59,380 5.727,381 1.813,382 2.714,383 1.642,384 4.243,385 2.321,386 1.367,387 1.792,389 3.545,390 1.301,391 2.682,392 1.352,393 3.513,394 2.214,395 1.234,396 1.76,398 2.674,399 1.206,400 2,401 0.956,402 3.322,403 1.712,404 0.77,405 0.917,407 1.824,408 0.724,409 1.584,410 0.93,411 2.841,412 1.294,413 0.429,414 0.481,415 0.624,416 0.367,417 1.385,418 0.294,419 2.811,420 0.996,421 0.059,422 0.074,423 0.147,424 0.055,425 1.189,426 0.104,427 2.681,428 0.836,429 -0.116,430 -0.143,431 -0.302,432 -0.111,433 0.931,434 -0.286,435 2.576,436 0.487,437 -0.435,438 -0.561,439 -1.129,440 -0.399,441 0.699,442 -0.369,443 2.167,444 0.321,445 -0.625,446 -0.769,448 -1.378,449 -0.588,450 0.582,451 -0.472,452 2,453 0.154,454 -0.786,455 -0.988,457 -1.902,458 -0.724,459 10.733,460 0.467,461 0.592,462 0.026,463 33.5,464 1.457,465 18,466 0.783,467 15.5,468 0.674,469 15.369,470 0.668,471 24.667,472 0.602,473 23.355,474 1.015,475 6.786,476 0.295,477 4.294,478 0.187,479 0.168,481 0.373,485 1.093,486 1.323,487 0.821,488 1.026,489 1.258,490 0.89,491 0.959,492 0.876,493 0.743,494 0.829,495 0.595,496 0.777,497 1.11,498 1.363,499 0.978,500 1.145,501 0.94,502 1.056,503 0.639,504 1.243,505 1.073,506 1.361,507 0.626,508 1.308,509 1.233,510 0.87,511 1.176,512 0.863,513 1.316,514 0.97,515 0.869,516 0.789,517 1.045,518 0.96,519 0.934,520 1.022,521 0.808,522 0.941,523 0.938,524 0.994,525 0.935,526 0.982,527 0.726,528 0.93,529 0.746,530 0.945,531 0.638,532 0.873,533 5,534 0.099,535 2.444,536 2,537 1.631,538 0.646,539 0.304,540 0.333,541 0.18,542 0.171,543 5593,544 15735,545 2.041,546 43.9,547 3,548 9,550 1,551 5,555 1.655,556 1.89,557 3.281,558 2.718,559 1,560 1,562 1,564 65.091,565 1.588,566 3.797,567 4.687,568 4.979,569 4.979,570 4.979,571 2.736,572 4.35,573 4.496,574 3.418,575 864.745,576 7.73,577 9816.54,578 1,579 1,581 1,582 219.66,583 1.478,584 4.443,585 0.2,586 0.008,587 0.07,588 0.054,589 0.051,590 0.027,591 0.014,592 0.017,593 0.009,594 0.011,595 0.461,596 0.17,597 1,598 0.832,599 107.768,600 -0.169,601 -0.092,602 0.018,603 0.017,604 -0.284,605 0.052,606 0.113,607 0.229,608 0.173,609 0.193,610 0.242,611 0.183,612 -0.174,613 -0.238,614 -0.09,615 -0.125,616 -0.141,617 -0.099,618 0.213,619 -0.184,620 -0.156,621 -0.363,622 0.237,623 -0.34,624 -0.265,625 0.072,626 -0.163,627 0.051,628 -0.278,629 -0.017,630 -0.006,631 0.139,632 -0.058,633 0.023,634 -0.047,635 -0.021,636 -0.043,637 -0.014,638 0.034,639 0.014,640 -0.083,641 0.04,642 0.203,643 -0.049,644 0.257,645 0.067,646 0.259,647 0.154,648 1.538,649 1.964,650 0.696,651 18.193,652 1.006,653 1.139,654 2.421,655 5.863,656 0.66,657 3.258,658 3.584,659 3.85,660 4.111,661 4.304,662 4.331,663 4.344,664 4.431,665 4.5,666 4.522,667 5.82,668 0.634,669 310.4,670 3.258,671 4.796,672 5.645,673 6.526,674 7.391,675 8.277,676 9.148,677 10.037,678 10.912,679 11.803,680 14.6,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,716 1,718 41,719 17,720 1,721 25,723 43,724 16,725 13,726 2,727 4,729 3,730 4,734 1,741 13,742 3,753 1,754 1,757 18,758 7,759 5,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 2,810 23,811 2,816 1,817 1,818 1,829 2.4,834 1,836 12.167,837 7.85,838 5.111,839 2.143,840 3.351,841 1.479,842 1.002,843 4.279,844 10.351,845 3.541,846 4.205,847 4.828,848 5.443,849 6.007,850 6.264,851 6.56,852 6.918,853 7.293,854 7.399,855 0.857,856 37,857 8.404,859 3.476,860 7.754,861 15.862,863 12.536,865 2.254,866 51.833,870 153.024,871 91.653,872 134.162,874 11,877 91.653,878 164.024,879 134.162,880 19.708,881 2.106,882 103.699,883 80.138,884 38.707,885 4.227,886 141.253,888 153.024,889 225.815,890 11,893 154.74,894 11,897 21.877,898 133.855,899 68.367,901 153.024,902 145.162,903 91.653,906 153.024,907 24.992,908 66.661,909 18.011,910 127.151,911 153.024,912 145.162,913 91.653,915 0.582,916 0.347,917 0.19,918 0.099,919 17,920 8,921 0.093,922 4,923 1,924 1.125,925 3.491,926 181.445,927 0.125,928 16,929 104.042,933 15.466,934 6.363,935 3.183,936 1.252,937 145.162,938 9.515,939 12.464,943 4.245,945 83.805,946 389.839,947 33.5,956 41.24,957 46.69,958 0.296,959 0.709,960 0.875,961 0.929,962 0.929,963 0.929,964 4.764,965 1.234,966 5.638,967 3.545,968 4.263,969 4.89,970 1.207,971 6.454,972 4.166,973 5.997,974 0.77,975 7.203,976 2.674,977 3.892,978 4.808,980 7.368,981 3.768,982 7.322,983 0.429,984 8.865,985 1.824,986 5.861,987 7.189,988 0.903,989 10.475,990 5.691,991 8.684,992 0.059,993 10.585,994 0.624,995 6.275,996 7.908,998 12.227,999 6.09,1000 10.075,1001 -0.116,1002 12.344,1003 0.147,1004 7.737,1005 9.787,1006 0.678,1007 14.882,1008 7.516,1009 11.489,1010 -0.435,1011 14.131,1012 -0.302,1013 8.531,1014 10.907,1016 17.014,1017 8.298,1018 12.921,1019 -0.625,1020 15.94,1021 -1.129,1022 9.792,1023 12.578,1024 0.512,1025 19.515,1026 9.53,1027 3.212,1028 -0.786,1029 17.767,1030 -1.378,1031 10.774,1032 13.906,1034 21.813,1035 10.497,1036 2.699,1037 11.231,1038 19.61,1039 -1.902,1040 11.959,1041 15.486,1042 0.387,1043 24.261,1044 11.657,1045 2.529,1046 7.916,1047 21.466,1048 4.616,1049 13.032,1050 16.918,1052 26.629,1053 12.711,1054 2.109,1055 7.627,1056 23.332,1057 3.671,1058 14.191,1059 18.463,1060 0.293,1061 29.057,1062 13.847,1063 2.021,1064 5.965,1065 25.208,1066 3.407,1067 15.308,1068 19.944,1070 31.455,1071 14.943,1072 1.958,1073 5.827,1074 27.092,1075 2.861,1076 16.461,1077 21.476,1078 0.221,1079 33.876,1080 16.073,1081 1.367,1082 5.727,1083 28.983,1084 2.724,1085 17.6,1086 22.981,1088 36.286,1089 17.189,1090 5480,1091 9308,1092 16.414,1093 27.057,1094 36.892,1095 37.446,1096 38.425,1097 36.721,1098 36.773,1099 49.787,1100 3.035,1101 106.21,1102 34.869,1103 5.485,1104 5.314,1105 6.431,1106 5.26,1107 5.212,1108 7.616,1109 1.72,1110 18.467,1111 5.13,1112 11.983,1113 1.476,1114 1.498,1115 1.537,1116 1.469,1117 1.471,1118 1.991,1119 0.121,1120 4.248,1121 1.395,1122 4.072,1123 4.112,1124 4.048,1125 3.959,1126 5.321,1127 3.975,1128 3.903,1129 3.932,1130 3.847,1131 3.815,1132 4.982,1133 3.818,1134 3.549,1135 3.616,1136 3.479,1137 3.361,1138 4.883,1139 3.384,1140 3.278,1141 3.35,1142 3.131,1143 3.015,1144 4.801,1145 3.028,1146 3.187,1147 3.279,1148 3.05,1149 2.954,1150 4.423,1151 2.958,1152 3.12,1153 3.218,1154 2.975,1155 2.864,1156 4.202,1157 2.883,1158 3.023,1159 3.152,1160 2.809,1161 2.705,1162 4.038,1163 2.722,1164 2.802,1165 2.879,1166 2.655,1167 2.651,1168 3.935,1169 2.641,1170 0.186,1171 0.133,1172 0.273,1173 0.167,1174 0.128,1175 4.654,1176 0.185,1177 3.314,1178 0.034,1179 6.835,1180 0.449,1181 4.185,1182 0.125,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.13,1188 1.998,1189 1.967,1190 2.064,1191 2.133,1192 1.228,1193 2.112,1194 1.875,1195 1.85,1196 1.979,1197 1.99,1198 1.061,1199 1.988,1200 1.48,1201 1.419,1202 1.634,1203 1.709,1204 0.736,1205 1.696,1206 1.22,1207 1.143,1208 1.573,1209 1.529,1210 0.572,1211 1.542,1212 1.17,1213 1.083,1214 1.526,1215 1.44,1216 0.558,1217 1.471,1218 1.04,1219 0.953,1220 1.283,1221 1.359,1222 0.226,1223 1.344,1224 0.946,1225 0.826,1226 1.258,1227 1.327,1228 0.152,1229 1.329,1230 0.814,1231 0.743,1232 1.103,1233 1.015,1234 0.085,1235 1.047,1236 3.932,1238 5.252,1240 6.779,1242 8.405,1244 10.085,1246 3.619,1250 11.572,1252 0.603,1253 3.346,1254 5.218,1262 26.004,1263 65.091,1264 155.685,1265 192.15,1266 204.15,1267 204.15,1268 204.15,1269 30.223,1270 7,1271 111.97,1272 111.97,1273 18,1274 12.334,1275 4.17,1276 3.248,1277 36.963,1278 80,1279 81,1280 0.228,1281 163.411,1282 269.25,1283 390.482,1284 9747,1286 16.397,1287 0.713,1288 0.565,1289 16.397,1290 12.998,1291 11.08,1292 0.443,1293 0.285,1294 7.006,1295 10.589,1296 6.776,1297 5.683,1298 11.08,1299 7.133,1300 9.972,1301 0.285,1302 0.147,1303 9.972,1304 5.16,1305 8.354,1306 0.182,1307 0.08,1308 8.354,1309 3.687,1310 7.182,1311 0.12,1312 0.041,1313 7.182,1314 2.441,1315 5.395,1316 0.074,1317 0.021,1318 5.395,1319 1.531,1320 0.357,1321 69.896,1322 0.247,1323 22.566,1324 0.626,1325 120,1326 351.628,1327 132.759,1328 345.602,1329 480.04,1330 324,1331 141,1332 363.024,1333 153.15,1334 371.546,1335 539.19,1336 347,1337 7.096}
{0 CHEMBL80080,1 1.388,2 10,3 3.007,4 9.039,5 102.645,6 6.53,7 0.462,8 3.989,9 4.151,10 3.427,11 3.482,12 5.032,13 3.441,14 4.524,15 4.732,16 3.782,17 3.895,18 5.491,19 3.812,20 4.831,21 5.091,22 3.86,23 4.048,24 5.718,25 3.943,26 4.86,27 5.123,28 3.832,29 4.052,30 5.793,31 3.932,32 4.866,33 5.128,34 3.767,35 4.043,36 5.826,37 3.917,38 4.883,39 5.169,40 3.624,41 3.976,42 5.822,43 3.812,44 4.788,45 5.109,46 3.326,47 3.769,48 5.615,49 3.569,50 4.489,51 4.812,52 3.063,53 3.479,54 5.27,55 3.292,56 0.085,57 0.78,58 12.085,59 4.09,60 12.885,61 6.445,62 0.196,63 1.205,64 20.812,65 7.74,66 23.49,67 11.622,68 0.261,69 1.465,70 28.876,71 8.945,72 30.111,73 14.589,74 0.284,75 1.48,76 29.745,77 9.319,78 39.63,79 15.089,80 0.285,81 1.477,82 30.07,83 8.82,84 43.773,85 14.727,86 0.339,87 1.396,88 30.633,89 9.447,90 53.277,91 15.308,92 0.347,93 1.151,94 28.05,95 8.329,96 45.043,97 13.663,98 0.235,99 0.852,100 20.742,101 5.999,102 33.478,103 10.013,104 18,105 36,106 0.237,107 0.569,108 0.735,109 0.826,110 0.845,111 0.845,112 3.229,113 1,114 -4.24,115 -4.18,116 -3.95,119 36,120 1,121 6,127 1,139 3,140 2,141 2,143 1,144 1,147 1,157 3,158 3,159 3,166 9,169 1,170 3,172 3,173 3,175 5,178 9,180 2,182 3,186 1,187 7,188 1,189 6,191 3,193 5,195 1,196 1,197 1,198 9,200 2,201 5,204 7,205 1,207 3,212 7,215 9,218 6,223 2,224 2,225 1,226 5,228 2,229 8,231 5,232 1,237 2,238 1,239 4,240 1,241 6,243 3,250 1,251 1,253 2,254 3,258 1,260 4,264 1,265 2,267 1,268 3,270 2,273 762,274 16.162,275 16.162,276 16.162,277 16.162,278 16.162,279 14.62,280 20.567,281 9.541,282 16.413,283 12.777,284 12.777,285 12.777,286 12.777,287 12.777,288 10.419,289 30.609,290 4.459,291 13.217,292 4.256,293 2.311,294 1.34,295 0.805,296 0.695,297 0.695,298 3.908,300 1,301 1,302 1,303 510,304 2.449,307 243.871,314 1.667,315 19.188,317 1,318 0.75,319 0.83,320 0.83,321 0.9,322 1,323 0.83,324 1,325 0.88,326 51,327 240,328 4.533,329 3.25,330 6.769,331 4.148,332 3.171,333 4.253,334 0.4,335 11.071,336 3.102,337 4.173,338 2.981,339 6.078,340 3.797,341 2.833,342 3.786,344 8.819,345 2.728,346 3.65,347 2.54,348 5.373,349 3.423,350 2.45,351 3.008,353 6.977,354 2.387,355 3.443,356 2.319,357 5.24,358 3.173,359 2.232,360 2.552,362 6.482,363 2.098,364 3.299,365 2.22,366 5.038,367 2.933,368 1.985,369 2.502,371 5.702,372 1.877,373 3.096,374 1.854,375 4.763,376 2.696,377 1.741,378 2.29,380 4.972,381 1.656,382 2.831,383 1.624,384 4.154,385 2.496,386 1.518,387 1.952,389 3.716,390 1.482,391 2.442,392 1.389,393 3.59,394 2.325,395 1.337,396 1.44,398 3,399 1.319,400 2,401 1,402 3.34,403 2,404 1,405 1,407 2.136,408 1,409 1.766,410 0.723,411 3.247,412 1.574,413 0.596,414 0.672,415 1.261,416 0.582,417 1.479,418 0.418,419 2.911,420 1.255,421 0.294,422 0.335,423 0.573,424 0.282,425 1.193,426 0.055,427 2.729,428 0.874,429 -0.068,430 -0.082,431 -0.169,432 -0.064,433 0.826,434 -0.251,435 2.424,436 0.549,437 -0.413,438 -0.463,439 -0.975,440 -0.396,441 0.797,442 -0.305,443 2.284,444 0.439,445 -0.478,446 -0.587,448 -1.148,449 -0.437,450 0.601,451 -0.602,452 2.208,453 0.256,454 -0.716,455 -0.878,457 -1.785,458 -0.692,459 11.4,460 0.475,461 0.592,462 0.025,463 29.25,464 1.219,465 14,466 0.583,467 15.25,468 0.635,469 21.337,470 0.889,471 27,472 0.54,473 20.128,474 0.839,475 5.059,476 0.211,477 6.52,478 0.272,479 0.149,481 0.351,485 1.256,486 1.262,487 0.993,488 1.036,489 1.352,490 0.991,491 0.508,492 1.186,493 0.864,494 1.172,495 0.379,496 1.078,497 1.017,498 1.098,499 0.932,500 0.988,501 0.739,502 0.955,503 0.946,504 1.13,505 0.979,506 1.072,507 0.746,508 1.036,509 1.289,510 1.149,511 1.151,512 1.097,513 1.355,514 1.106,515 0.945,516 1.053,517 1.083,518 1.12,519 1.142,520 1.119,521 0.906,522 0.853,523 0.99,524 0.949,525 1.136,526 0.975,527 0.999,528 0.838,529 0.944,530 0.866,531 0.979,532 0.894,533 5,534 0.083,535 2.444,536 2.125,537 1.649,538 0.826,539 0.585,540 0.288,541 0.214,542 0.1,543 6148,544 12750,545 2.04,546 52,547 9,548 4,551 7,552 2,553 4,555 1.669,556 1.895,557 3.257,558 4.451,559 1,560 1,564 69.413,565 1.388,566 3.333,567 4.304,568 4.839,569 4.949,570 4.949,571 2.709,572 4.137,573 4.555,574 3.428,575 946.102,576 7.86,577 11012.2,579 1,581 1,582 282.193,583 1.459,584 4.507,585 0.192,586 0.006,587 0.068,588 0.056,589 0.046,590 0.025,591 0.022,592 0.015,593 0.014,594 0.006,595 0.45,597 1,598 0.813,599 113.736,600 -0.193,601 0.076,602 0.009,603 0.122,604 -0.219,605 0.095,606 0.311,607 -0.011,608 0.104,609 -0.037,610 0.312,611 0.001,612 -0.021,613 -0.04,614 0.054,615 0.032,616 0.056,617 0.049,618 0.031,619 -0.085,620 0.002,621 -0.055,622 0.138,623 -0.034,624 -0.205,625 -0.087,626 -0.158,627 -0.102,628 -0.171,629 -0.121,630 0.031,631 -0.073,632 -0.106,633 -0.141,634 -0.01,635 -0.14,636 0.07,637 0.031,638 -0.014,639 -0.022,640 -0.057,641 -0.028,642 -0.013,643 0.04,644 0.034,645 0.055,646 -0.012,647 0.051,648 1.461,649 2.279,650 0.75,651 20.417,652 0.989,653 1.143,654 3.007,655 9.04,656 0.633,657 3.296,658 3.611,659 3.871,660 4.143,661 4.344,662 4.344,663 4.394,664 4.489,665 4.522,666 4.511,667 5.875,668 0.588,669 326.5,670 3.296,671 4.828,672 5.673,673 6.553,674 7.415,675 8.3,676 9.169,677 10.057,678 10.93,679 11.819,680 12,684 3,685 1,690 2,695 3,696 2,700 7,702 12,711 3,712 1,718 50,719 12,720 1,721 26,723 52,724 18,725 10,726 3,727 3,729 3,730 3,734 1,736 6,739 7,741 10,742 8,753 1,754 1,757 26,758 6,759 7,760 6,764 6,769 1,776 1,781 3,802 3,806 1,810 24,811 3,816 6,817 1,820 1,836 12.667,837 8.733,838 5.361,839 3.249,840 2.325,841 1.334,842 0.992,843 5.217,844 9.283,845 3.497,846 4.078,847 4.63,848 5.204,849 5.73,850 5.981,851 6.282,852 6.633,853 6.89,854 7.115,855 0.857,856 38,857 8.863,859 3.715,860 7.604,861 17.303,863 14.37,865 2.104,866 50.5,869 1,870 223.651,871 71.33,872 150.273,877 71.33,878 223.651,879 150.273,880 8.825,881 15.207,882 127.12,883 51.582,884 14.641,885 4.227,886 223.651,888 223.651,889 221.603,893 176.567,894 47.084,897 28.688,898 141.333,899 51.582,901 223.651,902 150.273,903 71.33,906 223.651,907 34.076,908 37.254,909 18.011,910 132.263,911 223.651,912 150.273,913 71.33,915 0.577,916 0.342,917 0.193,918 0.106,919 17,920 8,921 0.077,922 4,924 1,925 3.557,926 193.248,928 18,929 106.039,933 16.994,934 7.367,935 3.817,937 150.273,938 5.982,939 8.397,943 4.893,945 116.702,946 445.254,947 32,956 49.447,957 57.142,958 0.246,959 0.591,960 0.763,961 0.857,962 0.877,963 0.877,964 4.736,965 1.337,966 5.659,967 3.716,968 4.29,969 4.762,970 0.278,971 6.469,972 4.224,973 5.931,974 1,975 7.217,976 3,977 3.892,978 4.62,980 7.372,981 3.78,982 7.237,983 0.596,984 8.876,985 2.136,986 5.878,987 6.936,988 0.05,989 10.484,990 5.752,991 8.578,992 0.294,993 10.593,994 1.261,995 6.275,996 7.59,998 12.233,999 6.112,1000 9.952,1001 -0.068,1002 12.349,1003 0.573,1004 7.748,1005 9.421,1006 0.008,1007 14.874,1008 7.571,1009 11.349,1010 -0.413,1011 14.134,1012 -0.169,1013 8.528,1014 10.456,1016 16.994,1017 8.322,1018 12.764,1019 -0.478,1020 15.94,1021 -0.975,1022 9.792,1023 12.078,1024 0.001,1025 19.472,1026 9.57,1027 3.171,1028 -0.716,1029 17.763,1030 -1.148,1031 10.759,1032 13.305,1034 21.753,1035 10.513,1036 2.833,1037 11.071,1038 19.6,1039 -1.785,1040 11.938,1041 14.83,1043 24.175,1044 11.674,1045 2.45,1046 8.819,1047 21.449,1048 4.253,1049 12.994,1050 16.156,1052 26.524,1053 12.708,1054 2.232,1055 6.977,1056 23.307,1057 3.786,1058 14.142,1059 17.634,1061 28.928,1062 13.837,1063 1.985,1064 6.482,1065 25.173,1066 3.008,1067 15.241,1068 19.011,1070 31.306,1071 14.915,1072 1.741,1073 5.702,1074 27.046,1075 2.552,1076 16.38,1077 20.466,1079 33.706,1080 16.034,1081 1.518,1082 4.972,1083 28.925,1084 2.502,1085 17.5,1086 21.871,1088 36.097,1089 17.133,1090 6023,1091 8831,1092 17.107,1093 31.648,1094 38.343,1095 38.372,1096 40.083,1097 38.401,1098 38.312,1099 47.578,1100 0.8,1101 109.417,1102 37.027,1103 5.533,1104 5.25,1105 6.571,1106 5.219,1107 5.171,1108 7.253,1109 0.8,1110 17.964,1111 5.102,1112 12.147,1113 1.475,1114 1.476,1115 1.542,1116 1.477,1117 1.474,1118 1.83,1119 0.031,1120 4.208,1121 1.424,1122 4.029,1123 4.068,1124 3.987,1125 3.941,1126 5.288,1127 3.947,1128 3.863,1129 3.922,1130 3.768,1131 3.738,1132 5.1,1133 3.731,1134 3.744,1135 3.797,1136 3.651,1137 3.611,1138 4.978,1139 3.621,1140 3.392,1141 3.485,1142 3.204,1143 3.194,1144 4.549,1145 3.185,1146 3.215,1147 3.302,1148 3.084,1149 3.019,1150 4.406,1151 3.021,1152 3.111,1153 3.209,1154 2.94,1155 2.941,1156 4.265,1157 2.91,1158 3.094,1159 3.206,1160 2.866,1161 2.843,1162 3.966,1163 2.857,1164 3.019,1165 3.132,1166 2.857,1167 2.789,1168 3.863,1169 2.791,1170 0.174,1171 0.125,1172 0.26,1173 0.16,1174 0.122,1175 4.533,1176 0.164,1177 3.25,1178 0.015,1179 6.769,1180 0.426,1181 4.148,1182 0.119,1183 3.171,1184 4.253,1185 0.4,1186 11.071,1187 3.102,1188 1.974,1189 1.945,1190 2.105,1191 2.089,1192 1.478,1193 2.09,1194 1.859,1195 1.805,1196 2.027,1197 2.012,1198 1.193,1199 2.024,1200 1.704,1201 1.656,1202 1.867,1203 1.872,1204 1.019,1205 1.87,1206 1.384,1207 1.298,1208 1.628,1209 1.634,1210 0.825,1211 1.655,1212 1.194,1213 1.113,1214 1.513,1215 1.436,1216 0.808,1217 1.455,1218 1.153,1219 1.064,1220 1.484,1221 1.376,1222 0.598,1223 1.429,1224 1.017,1225 0.928,1226 1.288,1227 1.371,1228 0.191,1229 1.36,1230 0.964,1231 0.878,1232 1.26,1233 1.297,1234 0.151,1235 1.3,1236 3.97,1238 5.283,1240 6.801,1242 8.416,1244 10.079,1246 2.021,1250 18.062,1252 7.056,1253 3.573,1256 0.517,1262 29.396,1263 69.413,1264 166.667,1265 215.199,1266 241.928,1267 247.438,1268 247.438,1269 38.856,1270 6.957,1271 115.87,1272 115.87,1273 18,1274 12.352,1275 3.7,1276 2.807,1277 39.301,1278 85,1279 84,1280 0.232,1281 184.454,1282 311.24,1283 441.827,1284 8902,1286 17.104,1287 0.713,1288 0.591,1289 17.104,1290 14.179,1291 11.58,1292 0.445,1293 0.333,1294 8.587,1295 11.28,1296 8.387,1297 7.012,1298 11.58,1299 8.664,1300 10.35,1301 0.287,1302 0.178,1303 10.35,1304 6.424,1305 8.498,1306 0.181,1307 0.099,1308 8.498,1309 4.669,1310 7.366,1311 0.119,1312 0.055,1313 7.366,1314 3.433,1315 5.806,1316 0.076,1317 0.032,1318 5.806,1319 2.426,1320 0.361,1321 71.569,1322 0.242,1323 23.37,1324 0.647,1325 124,1326 279.56,1327 133.464,1328 284.922,1329 401.97,1330 266,1331 145,1332 313.141,1333 153.854,1334 320.301,1335 468.14,1336 303,1337 4.602}
{0 CHEMBL80110,1 1.698,2 9.2,3 1.83,4 3.35,5 97.565,6 7.654,7 0.444,8 3.927,9 4.061,10 3.502,11 3.359,12 5.118,13 3.371,14 4.452,15 4.632,16 3.855,17 3.748,18 5.703,19 3.74,20 4.668,21 4.877,22 3.947,23 3.926,24 5.74,25 3.898,26 4.727,27 4.916,28 4.007,29 4.002,30 5.916,31 3.957,32 4.875,33 5.096,34 3.961,35 4.012,36 6.037,37 3.957,38 4.915,39 5.171,40 3.801,41 3.849,42 6.066,43 3.779,44 4.643,45 4.891,46 3.682,47 3.509,48 6.074,49 3.479,50 4.223,51 4.426,52 3.362,53 3.289,54 5.472,55 3.28,56 0.192,57 0.704,58 9.251,59 3.391,60 15.973,61 4.842,62 0.456,63 1.056,64 17.816,65 6.03,66 58.799,67 8.466,68 0.492,69 1.274,70 22.882,71 6.963,72 37.355,73 10.452,74 0.425,75 1.367,76 23.046,77 8.174,78 43.907,79 11.895,80 0.527,81 1.418,82 28.554,83 8.172,84 67.385,85 12.636,86 0.847,87 1.213,88 33.38,89 8.405,90 105.511,91 12.935,92 1.051,93 0.861,94 26.378,95 6.076,96 135.165,97 9.387,98 0.409,99 0.689,100 15.429,101 3.803,102 52.922,103 5.653,104 30,105 38,106 0.294,107 0.644,108 0.79,109 0.824,110 0.824,111 0.824,112 3.268,113 0.894,114 -3.61,115 -3.58,116 -3.41,119 35.6,120 1,121 1,125 4,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 5,172 3,173 3,175 1,178 5,180 1,181 2,182 9,187 1,189 4,191 1,192 2,193 12,195 1,196 1,197 1,198 5,200 2,201 3,204 5,205 1,207 9,212 4,215 3,218 4,220 3,221 3,223 1,224 1,226 2,229 1,231 2,233 8,234 5,236 3,237 3,239 1,243 1,246 4,248 1,249 1,262 3,263 3,273 821,274 16.715,275 16.715,276 16.715,277 16.715,278 16.715,279 14.945,280 23.326,281 9.785,282 17.212,283 13.255,284 13.255,285 13.255,286 13.255,287 13.255,288 10.511,289 30.597,290 4.523,291 14.035,292 3.793,293 1.769,294 0.922,295 0.728,296 0.728,297 0.728,298 3.945,300 1,301 1,302 1,303 485,304 2.828,307 247.099,314 1.408,315 33.778,317 1,318 1,319 0.83,320 1,321 0.8,322 0.5,323 1,324 1,325 0.88,326 56,327 230,328 4.57,329 3.816,330 6.791,331 4.18,332 3.205,333 4.306,334 2.612,335 11.156,336 3.127,337 4.377,338 3.236,339 6.614,340 3.978,341 3.022,342 4.042,343 0.86,344 10.507,345 2.888,346 3.725,347 3.095,348 5.609,349 3.36,350 2.427,351 3.179,352 0.8,353 7.271,354 2.261,355 3.68,356 2.485,357 5.311,358 3.213,359 2.272,360 2.971,362 6.58,363 2.138,364 3.306,365 2.308,366 5.038,367 2.936,368 1.988,369 2.553,371 5.703,372 1.88,373 3.231,374 2.224,375 4.774,376 2.785,377 1.835,378 2.452,380 5.01,381 1.735,382 2.909,383 1.985,384 4.404,385 2.594,386 1.669,387 1.966,389 4.127,390 1.539,391 2.607,392 1.635,393 3.631,394 2.033,395 1.135,396 1.596,398 2.682,399 1.009,400 2.27,401 1.256,402 3.509,403 2,404 1,405 1.251,407 2.422,408 1,409 2,410 1.234,411 3.312,412 1.952,413 1,414 1,415 2.136,416 0.946,417 1.712,418 1,419 3.247,420 1.523,421 0.543,422 0.613,423 1.035,424 0.531,425 1.319,426 0.662,427 2.754,428 1.01,429 0.064,430 0.077,431 0.138,432 0.061,433 1,434 0.186,435 2.546,436 0.575,437 -0.373,438 -0.452,439 -0.955,440 -0.352,441 0.947,442 -0.123,443 2.389,444 0.437,445 -0.48,446 -0.588,448 -1.152,449 -0.438,450 0.823,451 -0.305,452 2.255,453 0.175,454 -0.808,455 -0.943,457 -1.902,458 -0.79,459 11.4,460 0.456,461 0.665,462 0.027,463 33.5,464 1.34,465 16.5,466 0.66,467 17,468 0.68,469 19.293,470 0.772,471 28.2,472 0.627,473 26.178,474 1.047,475 6.521,476 0.261,477 5.487,478 0.219,479 0.173,481 0.377,485 0.682,486 1.404,487 0.769,488 1.121,489 0.687,490 0.976,491 0.797,492 1.041,493 0.78,494 0.96,495 0.395,496 0.885,497 0.883,498 1.021,499 0.876,500 0.882,501 0.573,502 0.865,503 0.658,504 1.33,505 0.929,506 1.307,507 0.746,508 1.202,509 0.994,510 1.252,511 1.118,512 1.252,513 1.04,514 1.199,515 1.218,516 0.908,517 1.059,518 0.995,519 1.514,520 0.998,521 1.059,522 0.683,523 0.866,524 0.733,525 1.431,526 0.775,527 1.584,528 1.167,529 1.186,530 1.047,531 1.912,532 1.037,533 5,534 0.082,535 2.889,536 2.5,537 1.649,538 1.104,539 0.85,540 0.47,541 0.234,542 0.1,543 6201,544 19147,545 2.015,546 44.4,547 3,548 11,551 4,552 2,555 1.686,556 1.852,557 3.164,558 1.855,559 1,560 1,564 76.43,565 1.698,566 3.723,567 4.569,568 4.764,569 4.764,570 4.764,571 2.699,572 4.404,573 4.615,574 3.3,575 989.998,576 8.013,577 11603.5,579 1,581 1,582 247.133,583 1.516,584 4.555,585 0.185,586 0.008,587 0.076,588 0.06,589 0.038,590 0.028,591 0.027,592 0.017,593 0.011,594 0.006,595 0.457,596 0.17,597 1,598 0.942,599 118.308,600 0.063,601 -0.081,602 0.041,603 0.013,604 -0.07,605 0.022,606 0.095,607 0.105,608 0.116,609 0.117,610 0.245,611 0.115,612 -0.09,613 0.093,614 0.03,615 0.158,616 -0.005,617 0.132,618 0.058,619 -0.186,620 -0.061,621 -0.207,622 0.041,623 -0.174,624 -0.164,625 -0.188,626 -0.192,627 -0.247,628 -0.128,629 -0.217,630 -0.103,631 -0.035,632 -0.027,633 -0.063,634 -0.204,635 -0.033,636 0.347,637 0.132,638 0.227,639 0.152,640 0.231,641 0.151,642 -0.318,643 -0.166,644 -0.191,645 -0.099,646 -0.286,647 -0.117,648 2.381,649 4.607,650 0.72,651 19.859,652 1.017,653 1.145,654 2.377,655 5.652,656 0.638,657 3.332,658 3.664,659 3.951,660 4.248,661 4.466,662 4.511,663 4.635,664 4.7,665 4.754,666 4.691,667 5.48,668 0.621,669 344.42,670 3.332,671 4.875,672 5.733,673 6.627,674 7.506,675 8.405,676 9.292,677 10.194,678 11.084,679 11.987,680 13.3,684 2,686 1,690 2,691 1,695 3,696 2,700 7,702 12,711 2,713 1,714 1,718 45,719 14,720 1,721 27,723 47,724 16,725 10,726 3,727 3,729 3,730 3,734 1,739 1,741 10,742 6,744 2,746 1,748 2,753 1,754 1,757 20,758 8,759 4,760 9,764 6,769 1,770 3,776 1,781 3,801 1,802 3,806 1,810 25,811 2,816 5,818 1,821 1,829 6.7,833 1,835 2,836 13.5,837 8.217,838 5.583,839 2.719,840 2.434,841 1.346,842 0.969,843 5.133,844 9.468,845 3.584,846 4.19,847 4.749,848 5.347,849 5.888,850 6.195,851 6.591,852 6.897,853 7.246,854 7.435,855 1,856 42,857 9.233,859 3.942,860 8.007,861 17.192,863 13.855,865 2.507,866 62.667,870 188.338,871 72.053,872 108.16,874 61.747,877 72.053,878 250.084,879 108.16,880 14.495,881 15.931,882 94.223,883 44.571,884 17.766,885 4.227,886 188.338,887 50.747,888 188.338,889 180.213,890 61.747,893 188.338,895 61.747,897 29.412,898 111.56,899 39.241,901 188.338,902 169.907,903 72.053,906 188.338,907 34.799,908 46.048,910 161.112,911 188.338,912 169.907,913 72.053,915 0.58,916 0.348,917 0.201,918 0.112,919 18,920 9,921 0.085,922 4,924 1,925 3.515,926 211.108,928 18,929 110.096,933 17.547,934 7.313,935 3.561,937 164.237,938 5.075,939 8.199,943 2.78,945 65.794,946 430.297,947 35,949 -0.381,951 23.213,956 45.778,957 51.524,958 0.309,959 0.678,960 0.832,961 0.867,962 0.867,963 0.867,964 4.828,965 1.135,966 5.733,967 4.127,968 4.344,969 4.875,970 2.684,971 6.581,972 4.244,973 6.044,974 1,975 7.317,976 2.682,977 4.007,978 4.832,979 2.396,980 7.579,981 3.876,982 7.368,983 1,984 9.003,985 2.422,986 5.964,987 7.095,988 4.179,989 10.708,990 5.784,991 8.729,992 0.543,993 10.751,994 2.136,995 6.431,996 7.844,997 4.51,998 12.541,999 6.234,1000 10.122,1001 0.064,1002 12.538,1003 1.035,1004 7.887,1005 9.627,1006 5.951,1007 15.195,1008 7.648,1009 11.538,1010 -0.373,1011 14.352,1012 0.138,1013 8.726,1014 10.733,1015 6.556,1016 17.366,1017 8.471,1018 12.972,1019 -0.48,1020 16.187,1021 -0.955,1022 9.987,1023 12.327,1024 7.795,1025 19.854,1026 9.697,1027 3.205,1028 -0.808,1029 18.036,1030 -1.152,1031 10.997,1032 13.603,1033 8.548,1034 22.159,1035 10.689,1036 3.022,1037 11.156,1038 19.898,1039 -1.902,1040 12.182,1041 15.115,1042 9.67,1043 24.588,1044 11.844,1045 2.427,1046 10.507,1047 21.768,1048 4.306,1049 13.268,1050 16.474,1051 10.509,1052 26.946,1053 12.909,1054 2.272,1055 7.271,1056 23.645,1057 4.042,1058 14.426,1059 17.949,1060 11.563,1061 29.353,1062 14.04,1063 1.988,1064 6.58,1065 25.528,1066 3.179,1067 15.547,1068 19.35,1069 12.452,1070 31.732,1071 15.137,1072 1.835,1073 5.703,1074 27.416,1075 2.971,1076 16.696,1077 20.808,1078 13.468,1079 34.131,1080 16.261,1081 1.669,1082 5.01,1083 29.307,1084 2.553,1085 17.832,1086 22.23,1087 14.386,1088 36.521,1089 17.373,1090 6159,1091 10956,1092 17.512,1093 28.728,1094 40.301,1095 42.049,1096 42.555,1097 40.371,1098 40.323,1099 52.008,1100 8.545,1101 117.533,1102 38.228,1103 5.57,1104 5.816,1105 6.593,1106 5.283,1107 5.205,1108 7.306,1109 4.612,1110 18.193,1111 5.127,1112 13.888,1113 1.493,1114 1.557,1115 1.576,1116 1.495,1117 1.493,1118 1.926,1119 0.316,1120 4.353,1121 1.416,1122 4.064,1123 4.096,1124 4.034,1125 3.952,1126 7.815,1127 3.964,1128 3.846,1129 3.898,1130 3.812,1131 3.662,1132 6.999,1133 3.687,1134 3.696,1135 3.743,1136 3.595,1137 3.464,1138 5.285,1139 3.478,1140 3.452,1141 3.493,1142 3.402,1143 3.193,1144 4.98,1145 3.189,1146 3.389,1147 3.469,1148 3.204,1149 3.031,1150 4.711,1151 3.124,1152 3.111,1153 3.206,1154 2.979,1155 2.941,1156 4.571,1157 2.91,1158 3.092,1159 3.204,1160 2.866,1161 2.832,1162 4.398,1163 2.857,1164 2.911,1165 2.993,1166 2.775,1167 2.614,1168 3.966,1169 2.642,1170 0.169,1171 0.141,1172 0.252,1173 0.155,1174 0.119,1175 4.57,1176 0.159,1177 3.816,1178 0.097,1179 6.791,1180 0.413,1181 4.18,1182 0.116,1183 3.205,1184 4.306,1185 2.612,1186 11.156,1187 3.127,1188 1.985,1189 1.96,1190 2.061,1191 2.131,1192 1.261,1193 2.102,1194 1.764,1195 1.716,1196 1.922,1197 1.978,1198 1.151,1199 1.955,1200 1.607,1201 1.555,1202 1.821,1203 1.878,1204 0.995,1205 1.84,1206 1.383,1207 1.299,1208 1.619,1209 1.642,1210 0.825,1211 1.658,1212 1.186,1213 1.152,1214 1.513,1215 1.605,1216 0.608,1217 1.526,1218 1.153,1219 1.064,1220 1.286,1221 1.376,1222 0.253,1223 1.429,1224 0.994,1225 0.913,1226 1.258,1227 1.367,1228 0.213,1229 1.349,1230 0.831,1231 0.732,1232 1.139,1233 1.149,1234 0.125,1235 1.148,1236 4.007,1238 5.333,1240 6.868,1242 8.502,1244 10.189,1246 1.918,1250 11.662,1252 2.932,1254 5.315,1257 1.953,1262 27.96,1263 76.43,1264 167.518,1265 205.624,1266 214.379,1267 214.379,1268 214.379,1269 50.995,1270 7.034,1271 136.11,1272 136.11,1273 18,1274 12.509,1275 3.907,1276 3.17,1277 41.502,1278 83,1279 79,1280 0.255,1281 174.33,1282 300.37,1283 417.126,1284 9135,1286 17.974,1287 0.719,1288 0.557,1289 17.974,1290 13.936,1291 12.007,1292 0.445,1293 0.298,1294 7.882,1295 11.314,1296 7.737,1297 6.381,1298 12.007,1299 8.043,1300 10.842,1301 0.285,1302 0.15,1303 10.842,1304 5.702,1305 8.857,1306 0.174,1307 0.082,1308 8.857,1309 4.177,1310 7.842,1311 0.114,1312 0.044,1313 7.842,1314 3.013,1315 6.293,1316 0.073,1317 0.023,1318 6.293,1319 2.02,1320 0.387,1321 76.911,1322 0.239,1323 23.753,1324 0.741,1325 130,1326 438.412,1327 147.853,1328 417.022,1329 560.09,1330 386,1331 154,1332 416.142,1333 171.441,1334 412.283,1335 602.02,1336 387,1337 5.097}
{0 CHEMBL80123,1 1.621,2 10.87,3 2.855,4 8.15,5 90.085,6 8.28,7 0.68,8 3.731,9 3.843,10 3.375,11 3.291,12 5.01,13 3.3,14 4.151,15 4.277,16 3.72,17 3.625,18 5.506,19 3.615,20 4.366,21 4.54,22 3.704,23 3.696,24 5.572,25 3.671,26 4.334,27 4.521,28 3.582,29 3.598,30 5.59,31 3.554,32 4.281,33 4.484,34 3.451,35 3.479,36 5.569,37 3.437,38 4.19,39 4.408,40 3.237,41 3.321,42 5.412,43 3.264,44 3.966,45 4.185,46 3.134,47 3.178,48 5.1,49 3.128,50 3.826,51 3.993,52 3.224,53 3.142,54 5.295,55 3.104,56 0.077,57 0.554,58 6.067,59 2.879,60 12.721,61 3.289,62 0.245,63 0.823,64 9.986,65 4.902,66 24.244,67 5.872,68 0.259,69 0.963,70 14.693,71 5.7,72 29.864,73 6.813,74 0.274,75 0.916,76 14.758,77 5.787,78 35.789,79 7.082,80 0.265,81 0.845,82 14.694,83 5.228,84 39.273,85 6.429,86 0.311,87 0.722,88 14.702,89 4.999,90 46.784,91 6.071,92 0.199,93 0.585,94 11.606,95 4.229,96 30.769,97 5.393,98 0.334,99 0.527,100 8.651,101 3.479,102 37.678,103 4.572,104 10,105 34,106 0.288,107 0.583,108 0.73,109 0.855,110 0.868,111 0.868,112 3.187,113 0.827,114 -4.63,115 -4.55,116 -4.28,119 45.9,134 2,139 8,140 2,141 1,143 1,144 1,147 1,153 1,157 2,158 2,159 2,166 10,169 2,170 7,172 3,173 3,175 1,178 11,180 1,182 7,187 1,189 8,191 1,193 8,195 1,196 1,197 1,198 4,200 2,201 4,204 4,205 1,207 9,212 4,215 4,218 4,221 7,226 2,229 5,231 2,239 1,241 7,243 1,245 4,248 2,249 2,251 1,254 9,256 1,268 6,273 712,274 15.447,275 15.447,276 15.447,277 15.447,278 15.447,279 13.099,280 11.746,281 9.275,282 15.724,283 12.371,284 12.371,285 12.371,286 12.371,287 12.371,288 8.833,289 13.087,290 4.475,291 12.828,292 3.589,293 1.925,294 1.101,295 0.399,296 0.324,297 0.324,298 3.87,300 1,301 1,302 1,303 537,304 3,307 203.809,311 104.866,314 1.626,315 23.748,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50,327 250,328 4.543,329 3.599,330 6.502,331 4.049,332 3.078,333 4.494,334 1.674,335 10.175,336 2.991,337 3.99,338 3.109,339 5.493,340 3.583,341 2.634,342 3.49,344 7.412,345 2.493,346 3.826,347 2.657,348 5.314,349 3.391,350 2.418,351 3.317,353 6.89,354 2.35,355 3.57,356 2.438,357 5.062,358 3.112,359 2.129,360 2.903,362 5.814,363 2.085,364 3.427,365 2.146,366 4.977,367 2.965,368 2.021,369 2.811,371 5.781,372 1.895,373 3.357,374 2.006,375 4.779,376 2.894,377 1.936,378 2.649,380 5.383,381 1.845,382 2.871,383 1.588,384 3.71,385 2.397,386 1.414,387 2.018,389 3.027,390 1.383,391 2.5,392 1.059,393 3.587,394 2,395 1.008,396 1.5,398 2.565,399 1,400 2.468,401 1,402 3.247,403 1.983,404 1,405 1.439,407 2.136,408 0.981,409 2.363,410 0.946,411 3.18,412 1.658,413 0.668,414 1.034,415 1.575,416 0.656,417 1.414,418 0.632,419 2.744,420 0.962,421 0.02,422 0.026,423 0.051,424 0.019,425 1.177,426 0.124,427 2.594,428 0.739,429 -0.227,430 -0.305,431 -0.537,432 -0.215,433 0.973,434 -0.293,435 2.475,436 0.483,437 -0.445,438 -0.577,439 -1.15,440 -0.41,441 0.63,442 -0.355,443 2.198,444 0.237,445 -0.755,446 -0.949,448 -1.925,449 -0.731,450 0.509,451 -0.653,452 1.811,453 0.145,454 -0.816,455 -1.112,457 -2.25,458 -0.795,459 10.767,460 0.468,461 0.558,462 0.024,463 35.25,464 1.533,465 20.5,466 0.891,467 14.75,468 0.641,469 12.551,470 0.546,471 23.433,472 0.633,473 24.811,474 1.079,475 7.243,476 0.315,477 3.871,478 0.168,479 0.105,481 0.325,485 0.902,486 1.045,487 0.736,488 0.865,489 0.894,490 0.77,491 0.513,492 0.958,493 0.73,494 1.061,495 0.438,496 0.971,497 1.21,498 1.084,499 1.022,500 1.001,501 0.907,502 0.977,503 1.103,504 1.084,505 1.068,506 1.133,507 0.987,508 1.11,509 1.298,510 1.073,511 1.136,512 1.087,513 1.439,514 1.074,515 1.542,516 0.865,517 1.175,518 0.938,519 1.762,520 0.982,521 1.154,522 0.86,523 0.885,524 0.877,525 1.254,526 0.845,527 0.353,528 0.783,529 0.81,530 0.983,531 0.566,532 1.005,533 5,534 0.078,535 2,536 1.375,537 1.489,538 0.382,539 0.363,540 0.283,541 0.094,542 0.184,543 6181,544 18733,545 2.067,546 37.8,548 10,551 4,555 1.651,556 1.944,557 3.398,558 1.822,559 1,560 1,562 1,564 59.96,565 1.621,566 3.285,567 4.108,568 4.811,569 4.885,570 4.885,571 2.877,572 4.35,573 4.497,574 3.549,575 897.974,576 7.71,577 10547.6,578 1,579 1,580 1,581 1,582 192.75,583 1.371,584 4.458,585 0.2,586 0.005,587 0.059,588 0.042,589 0.053,590 0.016,591 0.019,592 0.016,593 0.005,594 0.011,595 0.426,597 1,598 0.58,599 109.493,600 -0.142,601 0.066,603 0.081,604 -0.228,605 0.082,606 0.34,607 0.089,608 0.07,609 -0.091,610 0.234,611 -0.078,612 -0.201,613 -0.08,614 -0.108,615 -0.041,616 -0.114,617 -0.05,618 -0.08,619 -0.112,620 -0.116,621 -0.163,622 -0.008,623 -0.156,624 -0.2,625 -0.104,626 -0.141,627 -0.129,628 -0.13,629 -0.117,630 -0.262,631 0.039,632 -0.106,633 0.049,634 -0.271,635 0.015,636 -0.094,637 0.032,638 0.162,639 0.139,640 -0.112,641 0.192,642 0.743,643 0.193,644 0.132,645 -0.004,646 0.526,647 -0.06,648 2.127,649 4.786,650 0.696,651 19.603,652 1.013,653 1.121,654 3.398,655 11.548,656 0.696,657 3.258,658 3.555,659 3.761,660 4.007,661 4.22,662 4.159,663 4.205,664 4.263,665 4.29,666 4.234,667 6.326,668 0.68,669 306.35,670 3.258,671 4.779,672 5.602,673 6.463,674 7.303,675 8.168,676 9.016,677 9.883,678 10.736,679 11.605,680 10.8,684 2,690 2,694 2,695 8,696 2,700 4,702 17,711 2,718 37,719 19,720 2,721 25,723 39,724 17,725 14,726 4,727 8,728 3,729 3,730 4,741 17,744 2,748 1,749 2,751 1,753 1,754 1,757 14,758 6,759 4,760 6,764 4,769 0.667,770 2,776 1,781 3,785 1,793 1,795 2,802 2,810 23,811 2,818 1,829 5.4,832 1,834 1,836 11.833,837 6.483,838 5.056,839 1.95,840 3.8,841 1.552,842 1.01,843 4.217,844 10.684,845 3.597,846 4.22,847 4.806,848 5.403,849 6.001,850 6.237,851 6.614,852 7.018,853 7.35,854 7.409,855 1,856 33,857 8.41,859 3.533,860 7.942,861 15.56,863 12.266,865 2.442,866 56.167,870 117.711,871 119.327,872 99.365,874 36.145,877 119.327,878 153.856,879 99.365,882 160.557,883 65.907,884 24.146,885 4.227,886 117.711,888 117.711,889 218.692,890 36.145,893 117.711,894 36.145,897 4.043,898 162.126,899 52.524,901 117.711,902 135.51,903 119.327,906 117.711,907 24.564,908 94.762,910 135.51,911 117.711,912 135.51,913 119.327,915 0.577,916 0.323,917 0.176,918 0.099,919 16,920 7,921 0.103,922 4,923 1,924 1.125,925 3.623,926 174.496,927 0.125,928 16,929 100.042,933 15.005,934 6.464,935 3.649,936 1.33,937 135.51,938 14.229,939 8.022,943 1.704,945 65.794,946 372.548,947 35.5,951 11.786,952 2.989,954 -0.46,956 37.48,957 41.488,958 0.311,959 0.631,960 0.789,961 0.923,962 0.938,963 0.938,964 4.798,965 1.008,966 5.572,967 3.027,968 4.234,969 4.905,970 1.888,971 6.326,972 4.164,973 6.017,974 1,975 7.093,976 2.565,977 3.761,978 4.677,980 7.081,981 3.643,982 7.317,983 0.668,984 8.708,985 2.136,986 5.771,987 7.146,988 2.817,989 10.162,990 5.63,991 8.65,992 0.02,993 10.379,994 1.575,995 6.066,996 7.728,998 11.748,999 5.878,1000 10.012,1001 -0.227,1002 12.087,1003 0.051,1004 7.565,1005 9.669,1006 3.808,1007 14.354,1008 7.359,1009 11.396,1010 -0.445,1011 13.822,1012 -0.537,1013 8.249,1014 10.683,1016 16.335,1017 8,1018 12.798,1019 -0.755,1020 15.579,1021 -1.15,1022 9.521,1023 12.382,1024 4.825,1025 18.765,1026 9.256,1027 3.078,1028 -0.816,1029 17.353,1030 -1.925,1031 10.414,1032 13.636,1034 20.934,1035 10.111,1036 2.634,1037 10.175,1038 19.142,1039 -2.25,1040 11.587,1041 15.222,1042 5.851,1043 23.295,1044 11.264,1045 2.418,1046 7.412,1047 20.944,1048 4.494,1049 12.589,1050 16.601,1052 25.549,1053 12.233,1054 2.129,1055 6.89,1056 22.757,1057 3.49,1058 13.72,1059 18.137,1060 6.88,1061 27.884,1062 13.343,1063 2.021,1064 5.814,1065 24.579,1066 3.317,1067 14.778,1068 19.58,1070 30.175,1071 14.371,1072 1.936,1073 5.781,1074 26.41,1075 2.903,1076 15.896,1077 21.094,1078 7.91,1079 32.5,1080 15.465,1081 1.414,1082 5.383,1083 28.247,1084 2.811,1085 16.983,1086 22.568,1088 34.807,1089 16.524,1090 5956,1091 10495,1092 16.701,1093 25.739,1094 37.429,1095 38.034,1096 37.352,1097 36.708,1098 36.653,1099 51.358,1100 3.349,1101 101.618,1102 35.396,1103 5.322,1104 5.599,1105 6.304,1106 5.12,1107 5.078,1108 7.494,1109 3.349,1110 17.069,1111 4.991,1112 10.408,1113 1.497,1114 1.521,1115 1.494,1116 1.468,1117 1.466,1118 2.054,1119 0.134,1120 4.065,1121 1.416,1122 4.072,1123 4.104,1124 4.042,1125 3.989,1126 7.434,1127 3.997,1128 3.89,1129 3.913,1130 3.828,1131 3.811,1132 5.308,1133 3.809,1134 3.624,1135 3.66,1136 3.57,1137 3.479,1138 4.982,1139 3.497,1140 3.374,1141 3.413,1142 3.316,1143 3.162,1144 4.833,1145 3.193,1146 3.131,1147 3.236,1148 3.023,1149 2.903,1150 4.711,1151 2.923,1152 2.976,1153 3.013,1154 2.88,1155 2.765,1156 4.326,1157 2.786,1158 2.854,1159 2.925,1160 2.687,1161 2.735,1162 4.161,1163 2.715,1164 2.764,1165 2.83,1166 2.646,1167 2.58,1168 3.924,1169 2.593,1170 0.182,1171 0.144,1172 0.26,1173 0.162,1174 0.123,1175 4.543,1176 0.18,1177 3.599,1178 0.067,1179 6.502,1180 0.407,1181 4.049,1182 0.12,1183 3.078,1184 4.494,1185 1.674,1186 10.175,1187 2.991,1188 2.022,1189 1.998,1190 2.086,1191 2.126,1192 1.199,1193 2.114,1194 1.872,1195 1.848,1196 1.996,1197 1.974,1198 1.039,1199 1.979,1200 1.564,1201 1.533,1202 1.678,1203 1.742,1204 0.679,1205 1.725,1206 1.277,1207 1.232,1208 1.441,1209 1.524,1210 0.355,1211 1.499,1212 1.05,1213 0.977,1214 1.294,1215 1.386,1216 0.218,1217 1.371,1218 0.896,1219 0.855,1220 1.181,1221 1.149,1222 0.171,1223 1.131,1224 0.886,1225 0.821,1226 1.112,1227 1.062,1228 0.128,1229 1.107,1230 0.737,1231 0.669,1232 1.051,1233 0.973,1235 1.007,1236 3.932,1238 5.231,1240 6.723,1242 8.307,1244 9.942,1250 11.394,1254 5.171,1262 25.149,1263 59.96,1264 121.53,1265 151.995,1266 177.995,1267 180.75,1268 180.75,1269 33.126,1270 6.884,1271 104.12,1272 104.12,1273 18,1274 12.152,1275 4.322,1276 3.524,1277 37.124,1278 88,1279 80,1280 0.206,1281 157.556,1282 268.06,1283 376.196,1284 8888,1286 16.234,1287 0.706,1288 0.528,1289 16.234,1290 12.139,1291 11.114,1292 0.445,1293 0.276,1294 6.803,1295 10.717,1296 6.677,1297 5.565,1298 11.114,1299 6.894,1300 10.079,1301 0.296,1302 0.142,1303 10.079,1304 4.811,1305 7.895,1306 0.188,1307 0.075,1308 7.895,1309 3.14,1310 6.663,1311 0.123,1312 0.039,1313 6.663,1314 2.095,1315 5.355,1316 0.08,1317 0.021,1318 5.355,1319 1.376,1320 0.329,1321 69.473,1322 0.245,1323 22.986,1324 0.544,1325 118,1326 375.386,1327 130.915,1328 367.8,1329 502.54,1330 342,1331 135,1332 376.233,1333 145.978,1334 380.324,1335 550.77,1336 358,1337 5.889}
{0 CHEMBL80746,1 1.449,2 9.25,3 2.347,4 5.51,5 83.267,6 7.581,7 0.773,8 3.668,9 3.811,10 3.245,11 3.219,12 4.851,13 3.207,14 4.11,15 4.279,16 3.579,17 3.583,18 5.283,19 3.542,20 4.338,21 4.549,22 3.578,23 3.672,24 5.392,25 3.605,26 4.354,27 4.595,28 3.408,29 3.579,30 5.397,31 3.475,32 4.292,33 4.559,34 3.22,35 3.468,36 5.255,37 3.348,38 4.161,39 4.434,40 3.061,41 3.344,42 5.127,43 3.21,44 3.995,45 4.27,46 2.946,47 3.214,48 4.871,49 3.087,50 3.772,51 4.01,52 2.902,53 3.045,54 4.824,55 2.949,56 0.049,57 0.568,58 6.964,59 2.61,60 9.774,61 3.583,62 0.138,63 0.857,64 11.437,65 4.674,66 17.523,67 6.422,68 0.112,69 1.003,70 15.587,71 5.433,72 18.293,73 7.852,74 0.167,75 0.964,76 16.74,77 5.784,78 27.236,79 8.465,80 0.154,81 0.865,82 16.497,83 5.398,84 27.03,85 8.056,86 0.217,87 0.75,88 14.651,89 4.978,90 27.603,91 7.301,92 0.1,93 0.623,94 12.434,95 4.454,96 15.677,97 6.585,98 0.074,99 0.534,100 9.237,101 3.398,102 14.152,103 4.947,104 5,105 30,106 0.263,107 0.591,108 0.72,109 0.844,110 0.859,111 0.859,112 3.057,113 0.863,114 -4.25,115 -4.18,116 -3.95,119 42.9,125 1,139 8,140 2,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 8,169 1,170 3,172 3,173 3,175 4,178 8,180 1,182 3,187 5,189 4,191 1,193 3,195 1,196 1,197 1,198 7,200 2,201 2,204 4,205 1,207 1,212 3,215 6,218 3,224 2,225 1,226 1,228 1,229 9,231 1,241 6,246 4,250 1,251 2,253 1,254 2,256 2,260 4,265 2,270 2,273 466,274 13.585,275 13.585,276 13.585,277 13.585,278 13.585,279 11.497,280 16.037,281 8.156,282 13.821,283 10.888,284 10.888,285 10.888,286 10.888,287 10.888,288 7.817,289 23.348,290 3.93,291 11.284,292 3.68,293 1.875,294 1.164,295 0.479,296 0.4,297 0.4,298 3.741,300 1,301 1,302 1,303 400,304 2.236,307 160.195,311 82.75,314 1.45,315 13.04,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 42.5,327 185,328 4.541,329 3.132,330 6.502,331 4.048,332 3.078,333 4.491,334 0.657,335 10.175,336 2.99,337 3.913,338 2.764,339 5.406,340 3.528,341 2.559,342 3.451,344 7.147,345 2.478,346 3.749,347 2.494,348 5.24,349 3.326,350 2.355,351 3.224,353 6.685,354 2.29,355 3.429,356 2.177,357 5.062,358 2.974,359 2.039,360 2.811,362 5.801,363 1.898,364 3.371,365 2.04,366 4.966,367 2.909,368 1.958,369 2.697,371 5.741,372 1.856,373 2.916,374 1.562,375 3.711,376 2.475,377 1.492,378 2.086,380 3.148,381 1.465,382 2.5,383 1.059,384 3.639,385 2,386 1.008,387 1.5,389 2.565,390 1,391 2.454,392 1,393 3.247,394 1.983,395 1,396 1.434,398 2.136,399 0.981,400 1.907,401 0.894,402 3.166,403 1.638,404 0.687,405 0.81,407 1.615,408 0.651,409 1.368,410 0.176,411 2.721,412 0.966,413 0.022,414 0.029,415 0.055,416 0.021,417 0.976,418 -0.286,419 2.549,420 0.496,421 -0.433,422 -0.562,423 -1.125,424 -0.4,425 0.78,426 -0.354,427 2.392,428 0.404,429 -0.556,430 -0.688,431 -1.318,432 -0.532,433 0.562,434 -0.713,435 2.051,436 0.149,437 -0.815,438 -1.084,439 -2.08,440 -0.782,441 0.5,442 -0.788,443 1.562,444 0.065,445 -0.9,446 -1.204,448 -2.347,449 -0.873,450 0.414,451 -1,452 1.555,454 -1,455 -1.5,457 -2.452,458 -1,459 9.5,460 0.475,461 0.452,462 0.023,463 30.5,464 1.525,465 17.5,466 0.875,467 13,468 0.65,469 11.046,470 0.552,471 20.5,472 0.586,473 19.457,474 0.973,475 6.151,476 0.308,477 3.569,478 0.178,479 0.084,481 0.316,485 1.226,486 1.109,487 0.835,488 0.835,489 1.358,490 0.79,491 0.574,492 0.999,493 0.82,494 1.026,495 0.457,496 0.969,497 1.127,498 1.216,499 1.028,500 1.097,501 0.887,502 1.057,503 0.934,504 1.124,505 1.082,506 1.167,507 0.797,508 1.149,509 1.107,510 1.006,511 1.071,512 1.019,513 1.167,514 1.036,515 0.867,516 0.667,517 1.063,518 0.912,519 1.082,520 0.997,521 0.745,522 0.834,523 0.851,524 0.885,525 0.724,526 0.883,527 0.693,528 1.12,529 0.916,530 1.127,531 0.789,532 1.065,533 4,534 0.062,535 1.778,536 1,537 1.249,538 0.354,539 0.182,540 0.248,541 0.123,542 0.086,543 4058,544 10600,545 2.107,546 42.9,548 10,551 5,555 1.613,556 2,557 3.184,558 2.819,560 1,562 1,564 50.709,565 1.449,566 3.255,567 3.965,568 4.651,569 4.729,570 4.729,571 2.69,572 3.784,573 4.294,574 3.31,575 628.958,576 7.312,577 6456.33,578 1,579 1,581 1,582 179.525,583 1.295,584 4.266,585 0.182,586 0.009,587 0.059,588 0.034,589 0.054,590 0.019,591 0.011,592 0.017,593 0.009,594 0.008,595 0.402,596 0.33,597 1,598 0.548,599 89.233,600 -0.232,601 0.065,603 0.133,604 -0.344,605 0.105,606 0.319,607 0.102,608 0.043,609 -0.036,610 0.273,611 -0.034,612 -0.153,613 -0.184,614 -0.105,615 -0.131,616 -0.088,617 -0.115,618 0.035,619 -0.152,620 -0.118,621 -0.201,622 0.116,623 -0.184,624 -0.142,625 -0.076,626 -0.075,627 -0.048,628 -0.127,629 -0.051,630 0.09,631 0.261,632 -0.061,633 0.065,634 -0.104,635 -0.004,636 0.016,637 0.042,638 0.147,639 0.14,640 0.01,641 0.158,642 0.151,643 -0.171,644 0.041,645 -0.128,646 0.154,647 -0.071,648 1.467,649 1.882,650 0.8,651 15.1,652 0.998,653 1.131,654 3.015,655 9.091,656 0.681,657 3.135,658 3.434,659 3.664,660 3.912,661 4.143,662 4.094,663 4.143,664 4.22,665 4.317,666 4.234,667 5.405,668 0.65,669 265.35,670 3.135,671 4.654,672 5.485,673 6.347,674 7.195,675 8.062,676 8.918,677 9.788,678 10.649,679 11.521,680 14.3,684 2,685 1,690 2,694 2,695 8,696 2,700 4,702 17,711 2,712 1,718 35,719 17,720 2,721 22,723 37,724 15,725 14,726 4,727 8,729 3,730 4,741 14,742 1,753 1,754 1,757 15,758 5,759 5,760 5,764 5,769 0.667,776 1,781 3,785 1,802 2,810 20,811 2,816 1,817 1,836 10,837 5.983,838 4.389,839 1.86,840 3.277,841 1.489,842 1.039,843 3.396,844 9.977,845 3.45,846 4.094,847 4.694,848 5.301,849 5.895,850 6.082,851 6.417,852 6.776,853 7.181,854 7.162,855 1,856 29,857 7.309,859 3.053,860 7.7,861 13.908,863 11.189,865 2.2,866 44,867 0.001,870 117.711,871 92.802,872 117.376,877 92.802,878 117.711,879 117.376,881 2.106,882 141.604,883 51.582,884 10.659,885 4.227,886 117.711,888 117.711,889 210.178,893 117.711,897 6.149,898 152.448,899 51.582,901 117.711,902 117.376,903 92.802,906 117.711,907 16.992,908 75.81,909 18.011,910 99.365,911 117.711,912 117.376,913 92.802,915 0.576,916 0.327,917 0.179,918 0.1,919 15,920 6,921 0.081,922 3,923 1,924 1.125,925 3.336,926 146.888,927 0.125,928 16,929 82.439,933 12.696,934 5.35,935 2.833,936 1.588,937 117.376,938 15.937,939 8.147,943 2.801,945 83.805,946 327.889,947 30.5,956 34.927,957 39.568,958 0.282,959 0.635,960 0.773,961 0.907,962 0.922,963 0.922,964 4.647,965 1,966 5.451,967 2.565,968 4.111,969 4.779,970 0.623,971 6.213,972 4.042,973 5.862,974 0.687,975 6.974,976 2.136,977 3.611,978 4.559,980 6.986,981 3.498,982 7.164,983 0.022,984 8.595,985 1.615,986 5.652,987 7.043,988 0.317,989 10.075,990 5.52,991 8.503,992 -0.433,993 10.273,994 0.055,995 5.943,996 7.644,998 11.689,999 5.77,1000 9.871,1001 -0.556,1002 11.99,1003 -1.125,1004 7.459,1005 9.595,1006 0.149,1007 14.297,1008 7.269,1009 11.262,1010 -0.815,1011 13.734,1012 -1.318,1013 8.149,1014 10.626,1016 16.298,1017 7.923,1018 12.672,1019 -0.9,1020 15.5,1021 -2.08,1022 9.432,1023 12.332,1024 0.067,1025 18.73,1026 9.188,1027 3.078,1028 -1,1029 17.282,1030 -2.347,1031 10.333,1032 13.597,1034 20.911,1035 10.055,1036 2.559,1037 10.175,1038 19.08,1039 -2.452,1040 11.513,1041 15.188,1042 0.03,1043 23.275,1044 11.215,1045 2.355,1046 7.147,1047 20.889,1048 4.491,1049 12.523,1050 16.574,1052 25.535,1053 12.192,1054 2.039,1055 6.685,1056 22.709,1057 3.451,1058 13.661,1059 18.113,1060 0.013,1061 27.873,1062 13.307,1063 1.958,1064 5.801,1065 24.537,1066 3.224,1067 14.726,1068 19.559,1070 30.166,1071 14.341,1072 1.492,1073 5.741,1074 26.373,1075 2.811,1076 15.849,1077 21.075,1078 0.006,1079 32.494,1080 15.437,1081 1.008,1082 3.148,1083 28.215,1084 2.697,1085 16.942,1086 22.551,1088 34.802,1089 16.5,1090 3910,1091 6421,1092 14.909,1093 23.836,1094 32.605,1095 32.523,1096 32.785,1097 32.421,1098 32.398,1099 45.063,1100 1.315,1101 90.134,1102 31.26,1103 5.36,1104 5.132,1105 6.304,1106 5.12,1107 5.078,1108 7.491,1109 1.315,1110 17.069,1111 4.99,1112 7.675,1113 1.482,1114 1.478,1115 1.49,1116 1.474,1117 1.473,1118 2.048,1119 0.06,1120 4.097,1121 1.421,1122 4.073,1123 4.108,1124 4.04,1125 3.985,1126 5.307,1127 3.993,1128 3.89,1129 3.927,1130 3.82,1131 3.816,1132 4.982,1133 3.812,1134 3.533,1135 3.6,1136 3.46,1137 3.35,1138 4.79,1139 3.371,1140 3.193,1141 3.281,1142 3.069,1143 2.992,1144 4.68,1145 3,1146 3.127,1147 3.236,1148 3.012,1149 2.874,1150 4.217,1151 2.897,1152 2.854,1153 2.925,1154 2.696,1155 2.735,1156 3.974,1157 2.715,1158 2.826,1159 2.903,1160 2.687,1161 2.669,1162 3.781,1163 2.667,1164 2.684,1165 2.795,1166 2.484,1167 2.395,1168 3.674,1169 2.407,1170 0.206,1171 0.142,1172 0.296,1173 0.184,1174 0.14,1175 4.541,1176 0.204,1177 3.132,1178 0.03,1179 6.502,1180 0.462,1181 4.048,1182 0.136,1183 3.078,1184 4.491,1185 0.657,1186 10.175,1187 2.99,1188 2.021,1189 1.994,1190 2.094,1191 2.131,1192 1.235,1193 2.12,1194 1.882,1195 1.85,1196 2.004,1197 1.984,1198 1.062,1199 1.992,1200 1.468,1201 1.407,1202 1.623,1203 1.69,1204 0.742,1205 1.68,1206 1.149,1207 1.073,1208 1.39,1209 1.409,1210 0.349,1211 1.413,1212 1.039,1213 0.953,1214 1.292,1215 1.386,1216 0.218,1217 1.371,1218 0.886,1219 0.821,1220 1.181,1221 1.062,1222 0.189,1223 1.107,1224 0.817,1225 0.747,1226 1.092,1227 1.028,1228 0.081,1229 1.053,1230 0.654,1231 0.534,1232 1.023,1233 0.963,1235 0.99,1236 3.807,1238 5.106,1240 6.608,1242 8.205,1244 9.854,1250 11.465,1252 0.712,1253 3.35,1262 22.741,1263 50.709,1264 113.915,1265 138.77,1266 162.77,1267 165.525,1268 165.525,1269 22.12,1270 6.7,1271 89.85,1272 89.85,1273 18,1274 12.065,1275 4.17,1276 3.248,1277 30.133,1278 65,1279 60,1280 0.231,1281 143.028,1282 232.16,1283 340.748,1284 6718,1286 13.949,1287 0.697,1288 0.544,1289 13.949,1290 10.875,1291 9.72,1292 0.442,1293 0.288,1294 6.258,1295 9.451,1296 6.126,1297 5.112,1298 9.72,1299 6.328,1300 8.738,1301 0.291,1302 0.151,1303 8.738,1304 4.538,1305 7.075,1306 0.186,1307 0.081,1308 7.075,1309 3.077,1310 5.981,1311 0.122,1312 0.043,1313 5.981,1314 2.088,1315 4.853,1316 0.078,1317 0.023,1318 4.853,1319 1.427,1320 0.361,1321 60.17,1322 0.259,1323 20.094,1324 0.63,1325 104,1326 268.248,1327 112.104,1328 273.643,1329 383.7,1330 256,1331 120,1332 294.014,1333 127.494,1334 302.429,1335 437.73,1336 285,1337 6.357}
{0 CHEMBL80935,1 1.692,2 10.091,3 1.439,4 2.071,5 80.954,6 8.438,7 0.708,8 3.692,9 3.808,10 3.349,11 3.208,12 4.974,13 3.234,14 4.134,15 4.272,16 3.698,17 3.552,18 5.48,19 3.558,20 4.305,21 4.47,22 3.727,23 3.617,24 5.559,25 3.616,26 4.372,27 4.571,28 3.598,29 3.472,30 5.706,31 3.468,32 4.167,33 4.357,34 3.383,35 3.332,36 5.438,37 3.32,38 4.124,39 4.342,40 3.214,41 3.255,42 5.38,43 3.196,44 3.949,45 4.178,46 3.124,47 3.176,48 5.003,49 3.114,50 3.824,51 4.022,52 3.167,53 3.082,54 5.256,55 3.05,56 0.104,57 0.56,58 5.619,59 2.594,60 14.438,61 2.96,62 0.339,63 0.827,64 10.113,65 4.525,66 31.075,67 5.324,68 0.219,69 0.939,70 12.522,71 5.032,72 21.986,73 6.221,74 0.551,75 0.883,76 16.63,77 5.268,78 63.346,79 6.217,80 0.323,81 0.738,82 12.571,83 4.133,84 38.911,85 4.891,86 0.471,87 0.666,88 13.403,89 4.188,90 55.058,91 5.408,92 0.199,93 0.576,94 11.447,95 4.292,96 23.131,97 5.83,98 0.294,99 0.544,100 8.856,101 3.11,102 39.593,103 4.255,104 10,105 33,106 0.305,107 0.658,108 0.76,109 0.84,110 0.854,111 0.854,112 3.146,113 0.816,114 -3.87,115 -3.83,116 -3.63,119 42.9,125 1,139 6,140 3,142 1,144 1,146 1,147 1,153 1,157 2,158 2,159 2,166 8,169 3,170 7,172 3,173 3,175 1,178 7,180 1,182 8,187 1,189 3,191 1,192 2,193 8,195 3,196 3,197 1,198 2,200 2,201 1,204 2,205 1,207 3,212 1,215 3,218 1,220 3,221 2,223 1,224 1,226 1,229 5,231 1,234 2,241 5,245 2,246 4,248 2,249 2,251 1,254 3,256 1,260 5,265 2,268 1,270 2,273 616,274 14.792,275 14.792,276 14.792,277 14.792,278 14.792,279 12.613,280 12.82,281 8.795,282 15.123,283 11.849,284 11.849,285 11.849,286 11.849,287 11.849,288 8.571,289 14.402,290 4.203,291 12.366,292 3.438,293 1.483,294 0.922,295 0.479,296 0.4,297 0.4,298 3.828,300 1,301 1,302 1,303 477,304 2.828,307 187.699,311 96.927,314 1.463,315 25.912,317 1,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 48.5,327 222,328 4.541,329 3.664,330 6.502,331 4.038,332 3.079,333 4.491,334 1.727,335 10.175,336 2.956,337 4.143,338 3.129,339 6.02,340 3.779,341 2.788,342 3.671,343 0.636,344 8.546,345 2.754,346 3.768,347 2.671,348 5.311,349 3.364,350 2.403,351 3.233,353 6.879,354 2.31,355 3.43,356 2.213,357 5.062,358 2.978,359 2.048,360 2.811,362 5.803,363 1.897,364 3.387,365 2.173,366 4.971,367 2.893,368 1.971,369 2.711,371 5.757,372 1.815,373 3.256,374 2.05,375 4.286,376 2.774,377 1.785,378 2.524,380 4.181,381 1.752,382 2.602,383 1.445,384 3.71,385 2.128,386 1.166,387 1.601,389 2.682,390 1.11,391 2.5,392 1.323,393 3.502,394 2,395 1.006,396 1.5,398 2.565,399 1,400 2.453,401 1.057,402 3.247,403 1.944,404 1,405 1.431,407 2.136,408 0.941,409 1.852,410 1,411 3.057,412 1.482,413 0.525,414 0.658,415 1.229,416 0.494,417 1.335,418 0.352,419 2.699,420 0.888,421 -0.033,422 -0.044,423 -0.082,424 -0.031,425 0.97,426 -0.084,427 2.531,428 0.471,429 -0.444,430 -0.574,431 -1.149,432 -0.404,433 0.751,434 -0.299,435 2.351,436 0.282,437 -0.717,438 -0.883,439 -1.601,440 -0.682,441 0.618,442 -0.562,443 2.045,444 0.211,445 -0.782,446 -1.088,448 -1.926,449 -0.764,450 0.5,451 -0.722,452 1.604,453 0.123,454 -0.816,455 -1.146,457 -2.347,458 -0.799,459 10.167,460 0.462,461 0.541,462 0.025,463 33.25,464 1.511,465 18.5,466 0.841,467 14.75,468 0.67,469 12.296,470 0.559,471 22.833,472 0.652,473 23.159,474 1.053,475 6.811,476 0.31,477 3.82,478 0.174,479 0.111,481 0.344,485 0.922,486 1.187,487 0.719,488 0.931,489 0.887,490 0.79,491 0.676,492 0.854,493 0.743,494 0.932,495 0.527,496 0.881,497 0.969,498 1.382,499 0.917,500 1.273,501 0.803,502 1.112,503 1.482,504 0.789,505 1.138,506 0.932,507 1.431,508 0.974,509 1.511,510 1.119,511 1.235,512 1.127,513 1.444,514 1.116,515 1.103,516 0.671,517 1.196,518 0.855,519 1.377,520 1.014,521 0.743,522 0.965,523 0.729,524 0.978,525 0.66,526 0.891,527 0.511,528 0.938,529 0.848,530 0.956,531 0.68,532 0.974,533 4.5,534 0.07,535 2.444,536 1.375,537 1.289,538 0.528,539 0.282,540 0.227,541 0.201,542 0.132,543 5272,544 16531,545 2.07,546 37.1,548 8,550 1,551 4,555 1.64,556 1.941,557 3.304,558 1.914,560 1,562 1,564 59.206,565 1.692,566 3.646,567 4.207,568 4.651,569 4.729,570 4.729,571 2.738,572 4.187,573 4.434,574 3.433,575 793.09,576 7.589,577 8849.12,578 1,579 1,581 1,582 179.525,583 1.395,584 4.392,585 0.188,586 0.006,587 0.074,588 0.042,589 0.048,590 0.024,591 0.016,592 0.013,593 0.011,594 0.009,595 0.429,596 0.33,597 1,598 0.595,599 102.204,600 -0.166,601 -0.035,602 0.001,603 0.043,604 -0.218,605 0.07,606 0.254,607 0.222,608 0.073,609 0.055,610 0.164,611 0.017,612 -0.103,613 -0.353,614 -0.052,615 -0.3,616 -0.037,617 -0.184,618 -0.106,619 0.152,620 -0.1,621 0.005,622 -0.091,623 -0.05,624 -0.322,625 -0.151,626 -0.26,627 -0.182,628 -0.222,629 -0.193,630 0.059,631 0.255,632 -0.153,633 0.111,634 -0.13,635 -0.034,636 0.06,637 -0.114,638 0.305,639 0.09,640 0.075,641 0.219,642 0.389,643 0.058,644 0.104,645 0.013,646 0.382,647 -0.006,648 2.067,649 4.885,650 0.727,651 17.455,652 1.02,653 1.131,654 2.64,655 6.972,656 0.685,657 3.219,658 3.526,659 3.761,660 3.989,661 4.205,662 4.159,663 4.205,664 4.248,665 4.344,666 4.29,667 5.878,668 0.676,669 295.33,670 3.219,671 4.745,672 5.58,673 6.444,674 7.295,675 8.163,676 9.02,677 9.889,678 10.75,679 11.621,680 14.3,684 2,690 3,694 2,695 7,696 3,700 4,702 17,710 1,711 2,718 35,719 18,720 1,721 24,723 37,724 15,725 13,726 1,727 5,728 1,729 3,730 4,741 14,742 1,744 1,748 1,751 1,753 1,754 1,757 13,758 7,759 4,760 7,764 5,769 0.667,770 2,775 1,776 1,781 3,785 1,802 2,810 22,811 2,816 1,818 1,829 5.7,832 1,834 1,836 11.333,837 6.183,838 4.833,839 1.824,840 3.217,841 1.471,842 1.007,843 3.854,844 10.042,845 3.541,846 4.174,847 4.773,848 5.359,849 5.94,850 6.128,851 6.454,852 6.747,853 7.117,854 7.043,855 0.857,856 33,857 8.057,859 3.416,860 7.985,861 14.833,863 11.733,865 2.485,866 54.667,870 105.94,871 92.575,872 116.151,874 36.145,877 92.575,878 142.085,879 116.151,881 4.592,882 122.652,883 94.464,884 30.707,885 4.227,886 94.169,888 105.94,889 208.726,890 36.145,893 107.655,894 36.145,897 15.539,898 141.115,899 50.357,901 105.94,902 152.296,903 92.575,906 105.94,907 26.67,908 65.905,910 152.296,911 105.94,912 152.296,913 92.575,915 0.58,916 0.335,917 0.179,918 0.098,919 16,920 7,921 0.108,922 4,923 1,924 1.125,925 3.489,926 166.959,927 0.125,928 16,929 94.107,933 14.233,934 5.957,935 3.153,936 0.977,937 152.296,938 12.054,939 12.022,943 1.496,945 65.794,946 350.811,947 33.5,951 11.885,954 -0.401,956 35.698,957 39.571,958 0.33,959 0.711,960 0.82,961 0.907,962 0.922,963 0.922,964 4.747,965 1.006,966 5.557,967 2.682,968 4.205,969 4.86,970 2.051,971 6.333,972 4.123,973 5.967,974 1,975 7.096,976 2.565,977 3.761,978 4.677,980 7.154,981 3.66,982 7.275,983 0.525,984 8.733,985 2.136,986 5.765,987 7.115,988 2.951,989 10.235,990 5.614,991 8.618,992 -0.033,993 10.428,994 1.229,995 6.111,996 7.746,998 11.877,999 5.945,1000 9.991,1001 -0.444,1002 12.161,1003 -0.082,1004 7.597,1005 9.664,1006 3.994,1007 14.473,1008 7.387,1009 11.387,1010 -0.717,1011 13.919,1012 -1.149,1013 8.326,1014 10.71,1016 16.476,1017 8.096,1018 12.801,1019 -0.782,1020 15.696,1021 -1.601,1022 9.59,1023 12.395,1024 5.073,1025 18.893,1026 9.321,1027 3.079,1028 -0.816,1029 17.487,1030 -1.926,1031 10.512,1032 13.664,1034 21.061,1035 10.215,1036 2.788,1037 10.175,1038 19.291,1039 -2.347,1040 11.68,1041 15.242,1042 6.161,1043 23.409,1044 11.346,1045 2.403,1046 8.546,1047 21.104,1048 4.491,1049 12.696,1050 16.626,1052 25.653,1053 12.33,1054 2.048,1055 6.879,1056 22.925,1057 3.671,1058 13.825,1059 18.156,1060 7.253,1061 27.977,1062 13.421,1063 1.971,1064 5.803,1065 24.752,1066 3.233,1067 14.888,1068 19.598,1070 30.256,1071 14.447,1072 1.785,1073 5.757,1074 26.585,1075 2.811,1076 16.002,1077 21.108,1078 8.346,1079 32.572,1080 15.523,1081 1.166,1082 4.181,1083 28.423,1084 2.711,1085 17.089,1086 22.579,1088 34.869,1089 16.57,1090 5096,1091 9147,1092 16.008,1093 23.983,1094 35.947,1095 37.022,1096 36.338,1097 35.592,1098 35.542,1099 49.261,1100 4.727,1101 99.905,1102 34.055,1103 5.407,1104 5.664,1105 6.304,1106 5.114,1107 5.079,1108 7.491,1109 3.455,1110 17.069,1111 4.956,1112 10.027,1113 1.498,1114 1.543,1115 1.514,1116 1.483,1117 1.481,1118 2.053,1119 0.197,1120 4.163,1121 1.419,1122 4.052,1123 4.092,1124 4.027,1125 3.928,1126 7.433,1127 3.946,1128 3.907,1129 3.931,1130 3.849,1131 3.837,1132 5.324,1133 3.835,1134 3.544,1135 3.595,1136 3.478,1137 3.343,1138 4.982,1139 3.37,1140 3.277,1141 3.294,1142 3.228,1143 3.028,1144 4.824,1145 3.071,1146 3.109,1147 3.224,1148 3.003,1149 2.816,1150 4.732,1151 2.851,1152 2.953,1153 3.021,1154 2.838,1155 2.735,1156 4.387,1157 2.744,1158 2.854,1159 2.925,1160 2.687,1161 2.722,1162 4.108,1163 2.715,1164 2.641,1165 2.754,1166 2.454,1167 2.344,1168 3.84,1169 2.364,1170 0.189,1171 0.153,1172 0.271,1173 0.168,1174 0.128,1175 4.541,1176 0.187,1177 3.664,1178 0.072,1179 6.502,1180 0.424,1181 4.038,1182 0.123,1183 3.079,1184 4.491,1185 1.727,1186 10.175,1187 2.956,1188 1.971,1189 1.94,1190 2.032,1191 2.118,1192 1.139,1193 2.092,1194 1.895,1195 1.871,1196 2.007,1197 1.985,1198 1.067,1199 1.993,1200 1.458,1201 1.41,1202 1.602,1203 1.697,1204 0.687,1205 1.674,1206 1.135,1207 1.118,1208 1.308,1209 1.434,1210 0.244,1211 1.392,1212 1,1213 0.903,1214 1.257,1215 1.376,1216 0.218,1217 1.35,1218 0.892,1219 0.821,1220 1.181,1221 1.153,1222 0.156,1223 1.15,1224 0.886,1225 0.815,1226 1.148,1227 1.062,1229 1.107,1230 0.598,1231 0.479,1232 0.954,1233 0.916,1235 0.935,1236 3.892,1238 5.198,1240 6.706,1242 8.305,1244 9.954,1250 11.308,1252 0.084,1254 5.241,1262 23.644,1263 59.206,1264 127.609,1265 147.26,1266 162.77,1267 165.525,1268 165.525,1269 32.816,1270 6.825,1271 117.01,1272 117.01,1273 18,1274 12.165,1275 4.248,1276 3.392,1277 34.684,1278 78,1279 70,1280 0.219,1281 148.093,1282 247.1,1283 353.106,1284 7984,1286 15.527,1287 0.706,1288 0.526,1289 15.527,1290 11.561,1291 10.631,1292 0.443,1293 0.272,1294 6.418,1295 10.173,1296 6.304,1297 5.242,1298 10.631,1299 6.531,1300 9.61,1301 0.291,1302 0.14,1303 9.61,1304 4.624,1305 7.852,1306 0.187,1307 0.072,1308 7.852,1309 3.034,1310 6.471,1311 0.122,1312 0.037,1313 6.471,1314 1.981,1315 5.188,1316 0.079,1317 0.02,1318 5.188,1319 1.295,1320 0.346,1321 67.12,1322 0.25,1323 21.92,1324 0.589,1325 114,1326 381.031,1327 128.027,1328 369.76,1329 502.02,1330 344,1331 132,1332 369.88,1333 145.308,1334 375.197,1335 546.63,1336 351,1337 5.409}
{0 CHEMBL81019,1 1.478,2 9.24,3 2.82,4 7.954,5 97.216,6 7.201,7 0.444,8 3.944,9 4.098,10 3.475,11 3.429,12 5.104,13 3.41,14 4.462,15 4.67,16 3.804,17 3.827,18 5.51,19 3.772,20 4.735,21 4.98,22 3.909,23 4.001,24 5.668,25 3.928,26 4.772,27 5.001,28 3.958,29 4.048,30 5.816,31 3.97,32 4.864,33 5.108,34 3.906,35 4.056,36 5.944,37 3.967,38 4.879,39 5.167,40 3.742,41 3.935,42 5.893,43 3.814,44 4.664,45 4.967,46 3.567,47 3.672,48 5.717,49 3.564,50 4.352,51 4.614,52 3.472,53 3.452,54 5.608,55 3.403,56 0.088,57 0.771,58 10.201,59 3.666,60 16.98,61 5.47,62 0.203,63 1.159,64 18.373,65 6.611,66 26.962,67 9.864,68 0.234,69 1.395,70 25.361,71 7.878,72 24.45,73 12.57,74 0.218,75 1.474,76 25.744,77 8.5,78 32.202,79 13.273,80 0.302,81 1.532,82 28.94,83 8.01,84 51.318,85 13.334,86 0.39,87 1.381,88 31.014,89 8.208,90 59.684,91 13.916,92 0.42,93 1.087,94 25.532,95 6.383,96 55.657,97 10.929,98 0.307,99 0.895,100 17.876,101 3.826,102 56.163,103 6.951,104 22,105 37,106 0.253,107 0.628,108 0.781,109 0.833,110 0.833,111 0.833,112 3.268,113 0.948,114 -3.96,115 -3.91,116 -3.71,119 36.2,120 1,121 4,125 2,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,162 1,166 7,168 1,169 1,170 7,171 1,172 3,173 3,175 1,178 6,180 1,181 1,182 8,187 1,189 4,191 2,193 8,195 2,196 1,197 1,198 5,200 2,201 5,202 1,204 7,205 1,207 6,208 1,212 4,215 8,216 2,218 6,220 2,221 2,223 1,224 1,226 2,229 5,230 2,231 4,233 2,234 2,236 3,237 1,239 1,240 1,241 3,242 2,243 3,244 1,246 1,247 2,248 1,249 1,252 1,254 1,255 2,256 1,257 1,260 4,262 1,263 1,265 2,267 1,268 2,269 1,270 2,272 1,273 840,274 17.085,275 17.085,276 17.085,277 17.085,278 17.085,279 15.144,280 22.34,281 10.232,282 17.405,283 13.246,284 13.246,285 13.246,286 13.246,287 13.246,288 10.473,289 26.644,290 4.675,291 13.79,292 4.076,293 1.891,294 1,295 0.697,296 0.697,297 0.697,298 3.948,300 1,301 1,302 1,303 487,304 2.646,307 247.779,314 1.43,315 20.599,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 54,327 231,328 4.544,329 3.291,330 6.776,331 4.163,332 3.187,333 4.265,334 0.8,335 11.102,336 3.113,337 4.285,338 3.165,339 6.494,340 3.929,341 2.977,342 3.886,344 10.159,345 2.836,346 3.682,347 2.527,348 5.425,349 3.323,350 2.379,351 3.056,353 6.999,354 2.245,355 3.436,356 2.293,357 5.159,358 3.094,359 2.151,360 2.627,362 6.16,363 2.024,364 3.302,365 2.216,366 5.038,367 2.931,368 1.983,369 2.551,371 5.698,372 1.876,373 3.198,374 1.848,375 4.732,376 2.693,377 1.735,378 2.431,380 4.859,381 1.655,382 2.923,383 1.67,384 4.163,385 2.594,386 1.609,387 1.97,389 3.784,390 1.582,391 2.702,392 1.219,393 3.513,394 2.096,395 1.123,396 1.707,398 2.647,399 1.091,400 2.278,401 1.077,402 3.314,403 2,404 1,405 1.258,407 2.136,408 1,409 2,410 1,411 3.247,412 1.984,413 1,414 1,415 1.768,416 0.983,417 1.712,418 0.655,419 3.178,420 1.526,421 0.543,422 0.613,423 1.035,424 0.533,425 1.412,426 0.185,427 2.753,428 1.036,429 0.082,430 0.099,431 0.172,432 0.078,433 1.29,434 -0.025,435 2.534,436 0.796,437 -0.161,438 -0.209,439 -0.322,440 -0.154,441 0.876,442 -0.305,443 2.384,444 0.441,445 -0.477,446 -0.587,448 -1.143,449 -0.436,450 0.819,451 -0.488,452 2.255,453 0.396,454 -0.578,455 -0.722,457 -1.244,458 -0.562,459 11.7,460 0.468,461 0.537,462 0.021,463 32,464 1.28,465 16,466 0.64,467 16,468 0.64,469 21,470 0.84,471 27.3,472 0.581,473 23.469,474 0.939,475 5.996,476 0.24,477 6.139,478 0.246,479 0.145,481 0.333,485 0.853,486 1.262,487 0.845,488 1.09,489 0.746,490 0.984,491 0.566,492 1.05,493 0.793,494 1.061,495 0.266,496 0.978,497 0.908,498 1.037,499 0.845,500 0.928,501 0.503,502 0.884,503 0.761,504 1.211,505 0.92,506 1.175,507 0.536,508 1.088,509 1.232,510 1.224,511 1.181,512 1.181,513 1.149,514 1.174,515 1.03,516 1.022,517 1.022,518 1.018,519 1.057,520 1.018,521 0.935,522 0.836,523 0.892,524 0.837,525 1.413,526 0.855,527 1.403,528 1.078,529 1.09,530 0.925,531 1.663,532 0.953,533 4.5,534 0.082,535 2.667,536 2.375,537 1.449,538 0.958,539 0.704,540 0.443,541 0.246,542 0.136,543 6301,544 16361,545 2.038,546 46.8,547 5,548 7,551 4,552 2,553 4,555 1.686,556 1.899,557 3.178,558 1.815,560 1,564 69.471,565 1.478,566 3.664,567 4.554,568 4.858,569 4.858,570 4.858,571 2.677,572 4.484,573 4.615,574 3.317,575 995.013,576 8.013,577 11778.7,579 1,581 1,582 261.066,583 1.44,584 4.569,585 0.167,586 0.007,587 0.072,588 0.058,589 0.034,590 0.025,591 0.023,592 0.017,593 0.01,594 0.008,595 0.421,596 0.17,597 1,598 1.086,599 118.668,600 0.048,601 0.042,602 0.037,603 0.035,604 0.026,605 0.034,606 0.253,607 0.094,608 0.12,609 0.037,610 0.264,611 0.054,612 -0.04,613 0.006,614 0.102,615 0.116,616 0.04,617 0.13,618 0.073,619 -0.134,620 0.009,621 -0.108,622 0.126,623 -0.067,624 -0.216,625 -0.161,626 -0.223,627 -0.19,628 -0.176,629 -0.205,630 -0.025,631 -0.093,632 -0.027,633 -0.067,634 -0.074,635 -0.05,636 0.166,637 0.063,638 0.129,639 0.071,640 -0.067,641 0.09,642 -0.064,643 -0.031,644 -0.075,645 -0.054,646 0.06,647 -0.065,648 1.502,649 2.97,650 0.72,651 20.528,652 1,653 1.147,654 2.728,655 7.444,656 0.646,657 3.332,658 3.638,659 3.932,660 4.234,661 4.443,662 4.5,663 4.605,664 4.71,665 4.718,666 4.736,667 5.561,668 0.614,669 338.47,670 3.332,671 4.86,672 5.714,673 6.6,674 7.475,675 8.37,676 9.252,677 10.15,678 11.036,679 11.936,680 17,684 2,686 1,690 2,692 1,693 1,695 3,696 2,700 7,702 12,711 2,714 1,718 47,719 14,720 1,721 27,723 49,724 17,725 10,726 3,727 3,729 3,730 3,734 1,736 3,739 4,741 10,742 7,744 2,750 1,753 1,754 1,757 22,758 7,759 4,760 8,764 8,765 1,769 1,776 1,781 3,802 3,806 1,810 25,811 2,816 6,821 1,836 13.167,837 8.633,838 5.722,839 3.078,840 2.535,841 1.36,842 0.975,843 5.276,844 9.569,845 3.584,846 4.159,847 4.732,848 5.347,849 5.888,850 6.212,851 6.59,852 6.967,853 7.239,854 7.544,855 1,856 41,857 9.17,859 3.81,860 7.767,861 17.574,863 14.249,865 2.267,866 56.667,870 211.88,871 70.472,872 166.017,877 70.472,878 211.88,879 166.017,880 17.222,881 4.211,882 103.699,883 53.297,884 33.571,885 4.227,886 164.795,888 211.88,889 236.489,893 164.795,894 22,897 21.877,898 140.145,899 50.357,901 211.88,902 166.017,903 70.472,906 211.88,907 33.218,908 40.378,910 162.893,911 211.88,912 166.017,913 70.472,915 0.566,916 0.343,917 0.206,918 0.114,919 17,920 8,921 0.082,922 4,924 1,925 3.563,926 208.691,928 18,929 112.096,933 17.346,934 7.604,935 3.631,937 150.702,938 5.818,939 8.367,943 4.408,945 65.794,946 448.369,947 35,953 3.903,956 47,957 53.893,958 0.266,959 0.66,960 0.82,961 0.875,962 0.875,963 0.875,964 4.812,965 1.123,966 5.694,967 3.784,968 4.317,969 4.844,970 0.673,971 6.526,972 4.24,973 6.008,974 1,975 7.262,976 2.647,977 3.892,978 4.62,979 0.325,980 7.489,981 3.757,982 7.312,983 1,984 8.936,985 2.136,986 5.916,987 7.027,988 0.379,989 10.625,990 5.762,991 8.655,992 0.543,993 10.673,994 1.768,995 6.33,996 7.634,997 0.268,998 12.44,999 6.132,1000 10.033,1001 0.082,1002 12.451,1003 1.035,1004 7.819,1005 9.512,1006 0.239,1007 15.089,1008 7.601,1009 11.434,1010 -0.161,1011 14.258,1012 0.172,1013 8.628,1014 10.525,1015 0.188,1016 17.247,1017 8.377,1018 12.856,1019 -0.477,1020 16.086,1021 -0.322,1022 9.902,1023 12.17,1024 0.156,1025 19.728,1026 9.628,1027 3.187,1028 -0.578,1029 17.93,1030 -1.143,1031 10.895,1032 13.39,1033 0.125,1034 22.023,1035 10.594,1036 2.977,1037 11.102,1038 19.785,1039 -1.244,1040 12.083,1041 14.924,1042 0.102,1043 24.444,1044 11.759,1045 2.379,1046 10.159,1047 21.65,1048 4.265,1049 13.159,1050 16.25,1051 0.082,1052 26.793,1053 12.81,1054 2.151,1055 6.999,1056 23.522,1057 3.886,1058 14.315,1059 17.731,1060 0.066,1061 29.193,1062 13.943,1063 1.983,1064 6.16,1065 25.4,1066 3.056,1067 15.428,1068 19.11,1069 0.054,1070 31.565,1071 15.032,1072 1.735,1073 5.698,1074 27.283,1075 2.627,1076 16.574,1077 20.567,1078 0.043,1079 33.958,1080 16.154,1081 1.609,1082 4.859,1083 29.17,1084 2.551,1085 17.703,1086 21.974,1087 0.035,1088 36.341,1089 17.26,1090 6250,1091 10226,1092 17.8,1093 30.375,1094 39.837,1095 39.557,1096 41.805,1097 39.626,1098 39.543,1099 50.925,1100 1.6,1101 113.036,1102 38.03,1103 5.544,1104 5.291,1105 6.578,1106 5.233,1107 5.187,1108 7.265,1109 1.2,1110 18.071,1111 5.113,1112 12.641,1113 1.475,1114 1.465,1115 1.548,1116 1.468,1117 1.465,1118 1.886,1119 0.059,1120 4.187,1121 1.409,1122 4.038,1123 4.077,1124 4,1125 3.946,1126 6.727,1127 3.953,1128 3.846,1129 3.907,1130 3.782,1131 3.691,1132 5.285,1133 3.701,1134 3.702,1135 3.762,1136 3.591,1137 3.567,1138 4.981,1139 3.566,1140 3.393,1141 3.486,1142 3.303,1143 3.193,1144 4.759,1145 3.185,1146 3.32,1147 3.427,1148 3.204,1149 2.956,1150 4.429,1151 3.021,1152 3.115,1153 3.22,1154 3.002,1155 2.941,1156 4.253,1157 2.91,1158 3.111,1159 3.206,1160 2.866,1161 2.875,1162 4.14,1163 2.9,1164 3,1165 3.111,1166 2.832,1167 2.702,1168 3.965,1169 2.721,1170 0.168,1171 0.122,1172 0.251,1173 0.154,1174 0.118,1175 4.544,1176 0.158,1177 3.291,1178 0.03,1179 6.776,1180 0.411,1181 4.163,1182 0.115,1183 3.187,1184 4.265,1185 0.8,1186 11.102,1187 3.113,1188 1.978,1189 1.949,1190 2.083,1191 2.097,1192 1.405,1193 2.091,1194 1.812,1195 1.754,1196 1.994,1197 1.991,1198 1.189,1199 1.993,1200 1.674,1201 1.622,1202 1.85,1203 1.844,1204 1.014,1205 1.841,1206 1.382,1207 1.297,1208 1.62,1209 1.634,1210 0.825,1211 1.654,1212 1.153,1213 1.064,1214 1.513,1215 1.511,1216 0.657,1217 1.429,1218 1.109,1219 1.022,1220 1.33,1221 1.376,1222 0.522,1223 1.423,1224 1.043,1225 0.958,1226 1.259,1227 1.373,1228 0.183,1229 1.356,1230 0.932,1231 0.82,1232 1.199,1233 1.266,1234 0.127,1235 1.285,1236 4.007,1238 5.313,1240 6.836,1242 8.464,1244 10.145,1246 1.987,1250 11.795,1252 6.162,1257 2.265,1262 28.859,1263 69.471,1264 172.198,1265 214.046,1266 228.311,1267 228.311,1268 228.311,1269 40.812,1270 7.034,1271 129.82,1272 129.82,1273 18,1274 12.461,1275 3.907,1276 3.17,1277 41.497,1278 84,1279 79,1280 0.25,1281 182.595,1282 310.66,1283 437.292,1284 9206,1286 17.811,1287 0.712,1288 0.573,1289 17.811,1290 14.326,1291 12.135,1292 0.449,1293 0.316,1294 8.414,1295 11.631,1296 8.234,1297 6.865,1298 12.135,1299 8.528,1300 10.483,1301 0.283,1302 0.165,1303 10.483,1304 6.097,1305 8.746,1306 0.175,1307 0.09,1308 8.746,1309 4.491,1310 7.874,1311 0.116,1312 0.049,1313 7.874,1314 3.337,1315 6.213,1316 0.074,1317 0.028,1318 6.213,1319 2.32,1320 0.381,1321 76.187,1322 0.237,1323 23.833,1324 0.724,1325 128,1326 358.787,1327 140.323,1328 359.151,1329 493.28,1330 334,1331 151,1332 372.965,1333 163.156,1334 377.561,1335 547.8,1336 355,1337 5.071}
{0 CHEMBL81119,1 1.623,2 9.273,3 2.543,4 6.466,5 89.466,6 8.508,7 0.708,8 3.732,9 3.87,10 3.399,11 3.277,12 4.937,13 3.27,14 4.189,15 4.364,16 3.786,17 3.654,18 5.387,19 3.622,20 4.389,21 4.569,22 3.905,23 3.785,24 5.525,25 3.739,26 4.483,27 4.69,28 3.778,29 3.758,30 5.656,31 3.668,32 4.532,33 4.804,34 3.467,35 3.644,36 5.538,37 3.527,38 4.298,39 4.564,40 3.426,41 3.509,42 5.294,43 3.387,44 4.154,45 4.39,46 3.45,47 3.428,48 5.22,49 3.321,50 4.066,51 4.311,52 3.271,53 3.3,54 5.115,55 3.174,56 0.075,57 0.605,58 6.345,59 2.659,60 11.472,61 3.452,62 0.202,63 0.902,64 11.878,65 4.873,66 21.488,67 6.487,68 0.2,69 1.04,70 16.463,71 5.652,72 20.475,73 7.583,74 0.32,75 1.08,76 20.301,77 6.688,78 37.506,79 8.98,80 0.429,81 1.023,82 24.882,83 6.189,84 50.132,85 8.728,86 0.27,87 0.82,88 17.633,89 5.918,90 31.077,91 8.386,92 0.227,93 0.702,94 16.206,95 4.916,96 27.455,97 6.775,98 0.203,99 0.616,100 17.101,101 4.937,102 25.368,103 6.748,104 17,105 34,106 0.291,107 0.685,108 0.815,109 0.873,110 0.883,111 0.883,112 3.147,113 0.887,114 -4.41,115 -4.34,116 -4.09,119 40.5,120 1,125 1,139 4,140 3,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 6,169 2,170 4,172 3,173 3,175 3,178 6,180 1,182 3,187 5,189 3,191 1,192 1,193 5,195 3,196 4,197 1,198 6,200 2,201 2,204 3,205 1,212 1,215 4,218 1,221 1,224 2,225 1,226 2,228 1,229 6,231 2,234 3,241 7,246 3,250 1,251 1,253 1,254 2,256 1,260 6,265 3,270 3,273 604,274 14.637,275 14.637,276 14.637,277 14.637,278 14.637,279 12.424,280 16.828,281 8.508,282 15.038,283 11.806,284 11.806,285 11.806,286 11.806,287 11.806,288 8.57,289 23.144,290 4.008,291 12.528,292 3.587,293 1.394,294 0.669,295 0.345,296 0.291,297 0.291,298 3.825,299 1,300 1,301 1,302 1,303 436,304 2.449,307 177.228,311 92.001,314 1.455,315 19.542,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47.333,327 204,328 4.654,329 3.317,330 6.835,331 4.185,332 3.212,333 4.616,334 0.657,335 11.231,336 3.13,337 4.164,338 3.157,339 6.026,340 3.726,341 2.799,342 3.775,344 8.568,345 2.572,346 3.899,347 2.731,348 5.793,349 3.483,350 2.528,351 3.406,353 7.828,354 2.407,355 3.454,356 2.232,357 5.097,358 2.988,359 2.054,360 2.861,362 5.914,363 1.912,364 3.387,365 2.062,366 5.009,367 2.903,368 1.982,369 2.711,371 5.794,372 1.821,373 2.923,374 1.953,375 4.295,376 2.511,377 1.561,378 2.094,380 3.961,381 1.486,382 2.847,383 1.63,384 4.161,385 2.347,386 1.414,387 1.982,389 3.489,390 1.284,391 2.703,392 1.492,393 3.606,394 2.292,395 1.339,396 1.774,398 2.983,399 1.229,400 2.028,401 0.954,402 3.311,403 1.727,404 0.784,405 0.946,407 1.822,408 0.735,409 1.454,410 0.497,411 2.836,412 1.062,413 0.147,414 0.183,415 0.349,416 0.128,417 1.196,418 0.164,419 2.805,420 0.837,421 -0.11,422 -0.136,423 -0.286,424 -0.103,425 1.051,426 0.088,427 2.585,428 0.591,429 -0.274,430 -0.341,431 -0.631,432 -0.206,433 0.849,434 -0.294,435 2.169,436 0.419,437 -0.479,438 -0.595,439 -1.183,440 -0.423,441 0.62,442 -0.506,443 2,444 0.182,445 -0.746,446 -0.937,448 -1.817,449 -0.668,450 0.423,451 -0.754,452 2,453 0.066,454 -0.879,455 -1.173,457 -2.168,458 -0.821,459 10.614,460 0.482,461 0.613,462 0.028,463 32.25,464 1.466,465 17.5,466 0.795,467 14.75,468 0.67,469 15.092,470 0.686,471 22.986,472 0.621,473 21.625,474 0.983,475 6.389,476 0.29,477 4.169,478 0.19,479 0.19,481 0.377,485 1.017,486 1.236,487 0.631,488 0.807,489 1.169,490 0.771,491 0.585,492 0.92,493 0.599,494 0.811,495 0.472,496 0.795,497 0.986,498 1.335,499 0.893,500 1.089,501 0.854,502 1.012,503 0.906,504 1.187,505 1.169,506 1.319,507 0.784,508 1.291,509 1.476,510 0.825,511 1.188,512 0.881,513 1.437,514 1.002,515 0.687,516 0.754,517 0.721,518 0.832,519 0.8,520 0.911,521 1,522 0.948,523 1.026,524 0.979,525 1.042,526 0.992,527 1.038,528 0.974,529 1.27,530 1.106,531 1.056,532 1.042,533 4.5,534 0.091,535 2.889,536 2,537 1.511,538 0.639,539 0.345,540 0.286,541 0.238,542 0.096,543 4872,544 15206,545 2.043,546 40.5,547 3,548 6,550 1,551 5,555 1.644,556 1.886,557 3.163,558 2.779,559 1,560 1,562 1,564 60.033,565 1.623,566 3.815,567 4.54,568 4.865,569 4.919,570 4.919,571 2.681,572 4.187,573 4.433,574 3.315,575 765.843,576 7.608,577 8322.64,578 1,579 1,581 1,582 192.75,583 1.495,584 4.376,585 0.188,586 0.011,587 0.085,588 0.056,589 0.05,590 0.029,591 0.016,592 0.014,593 0.014,594 0.007,595 0.47,596 0.17,597 1,598 0.65,599 100.792,600 -0.21,601 -0.03,602 -0.011,603 0.094,604 -0.305,605 0.084,606 0.235,607 0.195,608 0.126,609 0.128,610 0.245,611 0.119,612 -0.068,613 -0.264,614 -0.019,615 -0.135,616 -0.055,617 -0.091,618 0.084,619 -0.169,620 -0.21,621 -0.362,622 0.142,623 -0.354,624 -0.393,625 0.123,626 -0.225,627 0.042,628 -0.368,629 -0.049,630 0.122,631 0.157,632 0.128,633 0.151,634 0.061,635 0.115,636 -0.045,637 -0.014,638 0.027,639 0.033,640 -0.087,641 0.015,642 -0.028,643 -0.102,644 -0.042,645 -0.045,646 -0.039,647 0.006,648 1.543,649 2.025,650 0.727,651 16.545,652 1.01,653 1.135,654 3.181,655 10.116,656 0.695,657 3.219,658 3.555,659 3.829,660 4.078,661 4.263,662 4.29,663 4.304,664 4.394,665 4.477,666 4.454,667 5.465,668 0.665,669 314.81,670 3.219,671 4.762,672 5.617,673 6.5,674 7.368,675 8.256,676 9.131,677 10.021,678 10.899,679 11.791,680 16.2,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,717 1,718 37,719 17,720 1,721 24,723 39,724 15,725 13,726 2,727 4,729 3,730 4,731 1,734 1,741 13,742 2,753 1,754 1,757 15,758 6,759 5,760 7,761 1,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,807 1,810 22,811 2,816 1,817 1,828 1,836 11.667,837 6.826,838 4.806,839 1.977,840 3.357,841 1.486,842 1.021,843 4.007,844 10.259,845 3.512,846 4.19,847 4.816,848 5.421,849 5.983,850 6.235,851 6.534,852 6.91,853 7.289,854 7.373,855 1,856 36,857 8.036,859 3.374,860 7.793,861 15.114,863 12.131,865 2.293,866 50.444,870 117.711,871 79.027,872 134.162,873 39.149,877 79.027,878 156.86,879 134.162,880 8.825,881 2.106,882 103.699,883 80.138,884 25.964,885 4.227,886 105.94,887 39.149,888 117.711,889 213.189,891 39.149,893 119.426,897 21.877,898 121.229,899 107.516,901 117.711,902 134.162,903 118.176,906 117.711,907 23.249,908 55.778,909 18.011,910 155.3,911 117.711,912 134.162,913 118.176,915 0.589,916 0.351,917 0.189,918 0.096,919 17,920 8,921 0.077,922 3,923 1,924 1.125,925 3.383,926 172.435,927 0.125,928 16,929 98.107,933 14.818,934 5.949,935 2.941,936 1.233,937 134.162,938 9.328,939 12.418,943 3.968,945 83.805,946 370.048,947 32.5,956 37.353,957 42.01,958 0.311,959 0.732,960 0.872,961 0.934,962 0.944,963 0.944,964 4.738,965 1.339,966 5.617,967 3.489,968 4.234,969 4.875,970 0.623,971 6.444,972 4.12,973 5.98,974 0.784,975 7.192,976 2.983,977 3.892,978 4.808,980 7.391,981 3.711,982 7.309,983 0.147,984 8.869,985 1.822,986 5.844,987 7.185,988 0.317,989 10.505,990 5.644,991 8.677,992 -0.11,993 10.604,994 0.349,995 6.293,996 7.924,998 12.283,999 6.044,1000 10.074,1001 -0.274,1002 12.378,1003 -0.286,1004 7.746,1005 9.799,1006 0.149,1007 14.936,1008 7.479,1009 11.495,1010 -0.479,1011 14.179,1012 -0.631,1013 8.569,1014 10.933,1016 17.071,1017 8.267,1018 12.934,1019 -0.746,1020 15.999,1021 -1.183,1022 9.826,1023 12.6,1024 0.067,1025 19.566,1026 9.504,1027 3.212,1028 -0.879,1029 17.836,1030 -1.817,1031 10.824,1032 13.933,1034 21.859,1035 10.476,1036 2.799,1037 11.231,1038 19.686,1039 -2.168,1040 12.006,1041 15.51,1042 0.03,1043 24.299,1044 11.639,1045 2.528,1046 8.568,1047 21.545,1048 4.616,1049 13.085,1050 16.942,1052 26.661,1053 12.697,1054 2.054,1055 7.828,1056 23.414,1057 3.775,1058 14.242,1059 18.484,1060 0.013,1061 29.083,1062 13.835,1063 1.982,1064 5.914,1065 25.29,1066 3.406,1067 15.359,1068 19.964,1070 31.476,1071 14.932,1072 1.561,1073 5.794,1074 27.172,1075 2.861,1076 16.51,1077 21.494,1078 0.006,1079 33.893,1080 16.064,1081 1.414,1082 3.961,1083 29.06,1084 2.711,1085 17.647,1086 22.997,1088 36.299,1089 17.181,1090 4761,1091 8518,1092 15.72,1093 25.699,1094 35.944,1095 36.283,1096 37.27,1097 35.781,1098 35.639,1099 48.695,1100 1.315,1101 103.878,1102 33.406,1103 5.486,1104 5.317,1105 6.524,1106 5.26,1107 5.212,1108 7.616,1109 1.315,1110 18.467,1111 5.13,1112 11.394,1113 1.498,1114 1.512,1115 1.553,1116 1.491,1117 1.485,1118 2.029,1119 0.055,1120 4.328,1121 1.392,1122 4.072,1123 4.112,1124 4.059,1125 3.96,1126 5.321,1127 3.976,1128 3.896,1129 3.926,1130 3.984,1131 3.83,1132 4.982,1133 3.826,1134 3.545,1135 3.613,1136 3.484,1137 3.36,1138 4.948,1139 3.382,1140 3.213,1141 3.31,1142 3.295,1143 2.998,1144 4.803,1145 2.999,1146 3.134,1147 3.233,1148 3.064,1149 2.881,1150 4.356,1151 2.904,1152 3.023,1153 3.152,1154 3.036,1155 2.796,1156 4.223,1157 2.77,1158 2.88,1159 2.922,1160 2.81,1161 2.705,1162 4.047,1163 2.722,1164 2.79,1165 2.865,1166 2.655,1167 2.628,1168 3.955,1169 2.627,1170 0.194,1171 0.138,1172 0.285,1173 0.174,1174 0.134,1175 4.654,1176 0.192,1177 3.317,1178 0.027,1179 6.835,1180 0.468,1181 4.185,1182 0.13,1183 3.212,1184 4.616,1185 0.657,1186 11.231,1187 3.13,1188 1.998,1189 1.967,1190 2.062,1191 2.133,1192 1.228,1193 2.111,1194 1.875,1195 1.85,1196 1.966,1197 1.968,1198 1.058,1199 1.975,1200 1.479,1201 1.418,1202 1.631,1203 1.703,1204 0.736,1205 1.693,1206 1.195,1207 1.104,1208 1.534,1209 1.46,1210 0.559,1211 1.487,1212 1.048,1213 0.962,1214 1.285,1215 1.366,1216 0.226,1217 1.346,1218 0.946,1219 0.826,1220 1.258,1221 1.329,1222 0.167,1223 1.333,1224 0.869,1225 0.824,1226 1.122,1227 1.028,1228 0.069,1229 1.069,1230 0.766,1231 0.702,1232 0.976,1233 0.978,1235 0.996,1236 3.892,1238 5.22,1240 6.756,1242 8.391,1244 10.078,1246 1.962,1247 6.136,1250 11.54,1252 0.572,1253 3.287,1262 24.59,1263 60.033,1264 141.166,1265 167.995,1266 179.995,1267 181.995,1268 181.995,1269 29.928,1270 6.902,1271 102.74,1272 102.74,1273 18,1274 12.322,1275 4.17,1276 3.248,1277 34.54,1278 72,1279 64,1280 0.239,1281 158.155,1282 258.37,1283 377.658,1284 8522,1285 2.7,1286 15.69,1287 0.713,1288 0.578,1289 16.19,1290 12.724,1291 10.559,1292 0.44,1293 0.296,1294 6.66,1295 9.936,1296 6.442,1297 5.365,1298 10.847,1299 7.094,1300 9.687,1301 0.285,1302 0.156,1303 10.058,1304 5.315,1305 8.137,1306 0.181,1307 0.085,1308 8.517,1309 3.807,1310 6.947,1311 0.12,1312 0.043,1313 7.216,1314 2.509,1315 5.115,1316 0.073,1317 0.022,1318 5.294,1319 1.532,1320 0.37,1321 68.829,1322 0.252,1323 21.591,1324 0.666,1325 116,1326 330.096,1327 141.4,1328 361.224,1329 491.64,1330 336,1331 137,1332 350.342,1333 158.694,1334 368.313,1335 538.26,1336 346,1337 7.056}
{0 CHEMBL81294,1 1.626,2 10.63,3 3.373,4 11.375,5 108.868,6 7.754,7 0.621,8 3.953,9 4.088,10 3.537,11 3.469,12 5.188,13 3.461,14 4.417,15 4.584,16 3.876,17 3.841,18 5.72,19 3.809,20 4.65,21 4.853,22 3.96,23 3.974,24 5.765,25 3.931,26 4.737,27 4.936,28 3.988,29 3.989,30 5.963,31 3.941,32 4.825,33 5.05,34 3.908,35 3.992,36 6.001,37 3.931,38 4.819,39 5.07,40 3.832,41 3.916,42 5.955,43 3.84,44 4.675,45 4.912,46 3.86,47 3.757,48 6.065,49 3.716,50 4.547,51 4.765,52 3.555,53 3.555,54 5.877,55 3.525,56 0.171,57 0.742,58 9.084,59 3.64,60 14.596,61 4.921,62 0.285,63 1.111,64 15.679,65 6.544,66 50.728,67 8.825,68 0.245,69 1.337,70 21.148,71 7.561,72 31.043,73 10.755,74 0.389,75 1.404,76 23.353,77 8.045,78 50.547,79 11.344,80 0.449,81 1.451,82 27.089,83 8.089,84 72.26,85 11.604,86 0.518,87 1.349,88 28.834,89 8.849,90 78.693,91 12.692,92 0.603,93 1.156,94 24.531,95 7.482,96 84.289,97 10.882,98 0.525,99 0.945,100 22.142,101 5.973,102 83.312,103 7.803,104 30,105 40,106 0.275,107 0.619,108 0.762,109 0.848,110 0.858,111 0.858,112 3.34,113 0.877,114 -4.83,115 -4.74,116 -4.45,119 40.4,120 1,121 1,125 1,139 8,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 11,169 2,170 4,172 3,173 3,175 3,178 11,180 1,182 7,185 1,187 5,189 7,191 1,193 11,195 1,196 3,197 1,198 8,200 2,201 4,204 5,205 1,207 8,212 6,215 7,218 4,220 2,221 5,223 1,224 1,226 2,229 8,231 2,233 4,234 9,236 2,237 4,238 1,239 2,240 1,241 8,243 1,246 7,248 1,249 1,251 1,254 6,260 4,262 2,263 2,264 1,265 1,267 1,268 4,270 1,273 1094,274 18.077,275 18.077,276 18.077,277 18.077,278 18.077,279 15.531,280 22.584,281 10.67,282 18.363,283 14.244,284 14.244,285 14.244,286 14.244,287 14.244,288 10.429,289 31.369,290 4.964,291 14.711,292 3.929,293 1.899,294 1.053,295 0.543,296 0.484,297 0.484,298 4.019,300 1,301 1,302 1,303 605,304 3.162,307 284.785,314 1.893,315 31.337,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 59,327 287,328 4.557,329 3.806,330 6.777,331 4.163,332 3.186,333 4.297,334 2.612,335 11.103,336 3.116,337 4.34,338 3.232,339 6.403,340 3.892,341 2.929,342 4.023,343 0.657,344 9.756,345 2.82,346 3.896,347 2.84,348 5.352,349 3.507,350 2.513,351 3.444,353 6.983,354 2.497,355 3.707,356 2.619,357 5.321,358 3.229,359 2.29,360 3.173,362 6.695,363 2.152,364 3.49,365 2.34,366 5.038,367 2.944,368 1.99,369 2.835,371 5.704,372 1.899,373 3.3,374 2.223,375 4.898,376 2.924,377 1.966,378 2.549,380 5.291,381 1.874,382 3.121,383 1.887,384 4.77,385 2.71,386 1.758,387 2.337,389 4.999,390 1.667,391 2.912,392 1.612,393 3.662,394 2.477,395 1.482,396 2.079,398 3.142,399 1.474,400 2.609,401 1.363,402 3.606,403 2,404 1,405 1.597,407 2.425,408 1,409 2.5,410 1,411 3.36,412 2,413 1,414 1.5,415 2.136,416 1,417 1.955,418 1,419 3.247,420 1.701,421 0.744,422 0.868,423 1.715,424 0.71,425 1.684,426 0.932,427 3.11,428 1.483,429 0.507,430 0.577,431 0.952,432 0.494,433 1.319,434 0.631,435 2.744,436 1.011,437 0.06,438 0.072,439 0.129,440 0.057,441 1.014,442 0.192,443 2.472,444 0.64,445 -0.324,446 -0.411,448 -0.833,449 -0.312,450 1,451 -0.072,452 2.363,453 0.438,454 -0.479,455 -0.588,457 -1.15,458 -0.437,459 12.567,460 0.465,461 0.682,462 0.025,463 39.75,464 1.472,465 22.5,466 0.833,467 17.25,468 0.639,469 18.643,470 0.69,471 28.833,472 0.613,473 30.946,474 1.146,475 7.861,476 0.291,477 5.129,478 0.19,479 0.156,481 0.35,485 0.626,486 1.123,487 0.781,488 0.9,489 0.705,490 0.861,491 0.43,492 1.039,493 0.736,494 1.037,495 0.352,496 0.96,497 0.751,498 1.167,499 0.857,500 1.046,501 0.573,502 0.972,503 0.862,504 1.247,505 1.003,506 1.2,507 0.801,508 1.139,509 1.27,510 1.103,511 1.183,512 1.066,513 1.186,514 1.087,515 1.12,516 0.9,517 0.983,518 0.937,519 1.241,520 0.939,521 0.771,522 0.902,523 0.788,524 0.978,525 0.851,526 0.905,527 2.135,528 0.907,529 1.299,530 0.937,531 2.33,532 0.981,533 5.5,534 0.083,535 2.889,536 2.25,537 1.649,538 1.118,539 0.852,540 0.439,541 0.303,542 0.187,543 8283,544 24338,545 2.014,546 42.6,547 3,548 10,551 5,552 2,555 1.703,556 1.862,557 3.343,558 2.547,559 1,560 1,564 76.407,565 1.626,566 3.655,567 4.501,568 5.012,569 5.07,570 5.07,571 2.893,572 4.533,573 4.723,574 3.535,575 1240.81,576 8.215,577 15806.6,579 1,581 1,582 261.066,583 1.487,584 4.672,585 0.19,586 0.005,587 0.072,588 0.052,589 0.039,590 0.029,591 0.024,592 0.013,593 0.012,594 0.01,595 0.447,597 1,598 0.905,599 133.315,600 0.096,601 0.109,602 0.016,603 0.134,604 -0.099,605 0.075,606 0.281,607 0.08,608 0.113,609 0.017,610 0.277,611 0.027,612 -0.031,613 -0.095,614 0.04,615 -0.035,617 0.011,618 0.048,619 -0.192,620 -0.082,621 -0.212,622 0.045,623 -0.181,624 -0.247,625 -0.082,626 -0.214,627 -0.119,628 -0.176,629 -0.145,630 -0.064,631 0.025,632 0.037,633 0.03,634 -0.141,635 0.048,636 0.406,637 0.039,638 0.24,639 -0.026,640 0.349,641 0.059,642 -0.404,643 -0.002,644 -0.221,645 -0.015,646 -0.329,647 -0.075,648 2.42,649 4.593,650 0.667,651 25.202,652 1.01,653 1.134,654 3.597,655 12.935,656 0.665,657 3.401,658 3.714,659 3.97,660 4.234,661 4.431,662 4.466,663 4.575,664 4.615,665 4.691,666 4.673,667 6.306,668 0.644,669 364.45,670 3.401,671 4.934,672 5.778,673 6.655,674 7.518,675 8.402,676 9.273,677 10.161,678 11.037,679 11.927,680 12.8,684 2,685 1,690 2,691 1,695 8,696 2,700 8,702 18,711 2,712 1,713 1,718 47,719 20,720 2,721 29,723 49,724 19,725 16,726 4,727 8,729 3,730 3,734 1,739 1,741 16,742 3,744 2,746 1,748 2,754 1,757 20,758 7,759 5,760 8,764 6,769 1,770 2,776 1,781 3,802 3,806 1,810 27,811 2,816 2,817 1,829 4.3,835 2,836 14.5,837 8.517,838 6.056,839 2.726,840 3.218,841 1.45,842 0.988,843 5.647,844 10.365,845 3.714,846 4.337,847 4.892,848 5.471,849 6.001,850 6.223,851 6.612,852 6.926,853 7.315,854 7.571,855 1,856 43,857 9.932,859 4.201,860 7.975,861 18.444,863 14.681,865 2.475,866 66.833,869 1,870 176.567,871 111.329,872 123.046,874 50.747,877 111.329,878 227.313,879 123.046,880 14.495,881 4.64,882 141.604,883 51.582,884 17.827,885 4.227,886 176.567,887 50.747,888 176.567,889 234.376,890 50.747,893 176.567,895 50.747,897 18.121,898 159.002,899 57.252,901 176.567,902 173.793,903 111.329,906 176.567,907 26.694,908 90.305,909 18.011,910 150.112,911 176.567,912 173.793,913 111.329,915 0.577,916 0.339,917 0.19,918 0.103,919 18,920 9,921 0.122,922 6,924 1,925 3.776,926 226.989,928 18,929 122.382,933 18.768,934 8.123,935 4.219,937 168.123,938 14.592,939 8.193,943 3.523,945 83.805,946 461.689,947 40,949 -0.42,951 23.186,956 47.451,957 53.315,958 0.293,959 0.658,960 0.81,961 0.902,962 0.913,963 0.913,964 4.931,965 1.482,966 5.765,967 4.999,968 4.394,969 5.024,970 2.57,971 6.578,972 4.333,973 6.154,974 1,975 7.327,976 3.142,977 4.007,978 4.89,979 2.361,980 7.513,981 3.909,982 7.47,983 1,984 8.991,985 2.425,986 5.984,987 7.25,988 4.16,989 10.617,990 5.865,991 8.823,992 0.744,993 10.716,994 2.136,995 6.399,996 7.898,997 4.506,998 12.4,999 6.249,1000 10.204,1001 0.507,1002 12.481,1003 1.715,1004 7.864,1005 9.751,1006 5.948,1007 15.033,1008 7.695,1009 11.607,1010 0.06,1011 14.274,1012 0.952,1013 8.658,1014 10.774,1015 6.556,1016 17.172,1017 8.462,1018 13.028,1019 -0.324,1020 16.089,1021 0.129,1022 9.918,1023 12.41,1024 7.794,1025 19.644,1026 9.703,1027 3.186,1028 -0.479,1029 17.92,1030 -0.833,1031 10.895,1032 13.628,1033 8.548,1034 21.931,1035 10.655,1036 2.929,1037 11.103,1038 19.765,1039 -1.15,1040 12.074,1041 15.161,1042 9.67,1043 24.346,1044 11.813,1045 2.513,1046 9.756,1047 21.621,1048 4.297,1049 13.138,1050 16.482,1051 10.509,1052 26.693,1053 12.852,1054 2.29,1055 6.983,1056 23.485,1057 4.023,1058 14.287,1059 17.966,1060 11.563,1061 29.091,1062 13.98,1063 1.99,1064 6.695,1065 25.356,1066 3.444,1067 15.391,1068 19.343,1069 12.452,1070 31.464,1071 15.06,1072 1.966,1073 5.704,1074 27.232,1075 3.173,1076 16.531,1077 20.803,1078 13.468,1079 33.857,1080 16.179,1081 1.758,1082 5.291,1083 29.114,1084 2.835,1085 17.655,1086 22.21,1087 14.386,1088 36.242,1089 17.28,1090 8156,1091 14145,1092 18.898,1093 31.273,1094 43.04,1095 44.372,1096 44.881,1097 42.893,1098 42.852,1099 58.704,1100 6.539,1101 122.06,1102 41.522,1103 5.389,1104 5.806,1105 6.579,1106 5.233,1107 5.186,1108 7.297,1109 4.612,1110 17.995,1111 5.116,1112 14.797,1113 1.484,1114 1.53,1115 1.548,1116 1.479,1117 1.478,1118 2.024,1119 0.225,1120 4.209,1121 1.432,1122 4.061,1123 4.092,1124 4.029,1125 3.954,1126 7.815,1127 3.964,1128 3.9,1129 3.936,1130 3.833,1131 3.836,1132 6.999,1133 3.83,1134 3.823,1135 3.867,1136 3.79,1137 3.638,1138 5.285,1139 3.663,1140 3.468,1141 3.501,1142 3.431,1143 3.199,1144 4.98,1145 3.192,1146 3.392,1147 3.481,1148 3.204,1149 3.09,1150 4.776,1151 3.125,1152 3.277,1153 3.357,1154 3.152,1155 3.029,1156 4.67,1157 3.094,1158 3.071,1159 3.19,1160 2.935,1161 2.817,1162 4.413,1163 2.833,1164 2.854,1165 2.942,1166 2.703,1167 2.735,1168 4.042,1169 2.715,1170 0.157,1171 0.131,1172 0.234,1173 0.144,1174 0.11,1175 4.557,1176 0.148,1177 3.806,1178 0.09,1179 6.777,1180 0.383,1181 4.163,1182 0.107,1183 3.186,1184 4.297,1185 2.612,1186 11.103,1187 3.116,1188 1.984,1189 1.959,1190 2.067,1191 2.124,1192 1.215,1193 2.096,1194 1.901,1195 1.872,1196 2.019,1197 1.996,1198 1.144,1199 2.006,1200 1.729,1201 1.685,1202 1.873,1203 1.947,1204 1.02,1205 1.908,1206 1.387,1207 1.304,1208 1.633,1209 1.653,1210 0.693,1211 1.659,1212 1.249,1213 1.175,1214 1.5,1215 1.627,1216 0.577,1217 1.55,1218 1.186,1219 1.152,1220 1.285,1221 1.478,1222 0.218,1223 1.483,1224 0.982,1225 0.895,1226 1.257,1227 1.356,1228 0.213,1229 1.343,1230 0.886,1231 0.821,1232 1.181,1233 1.094,1234 0.141,1235 1.114,1236 4.078,1238 5.389,1240 6.903,1242 8.513,1244 10.175,1246 1.912,1250 11.671,1252 1.058,1253 3.118,1262 30.246,1263 76.407,1264 171.805,1265 211.556,1266 235.556,1267 238.311,1268 238.311,1269 55.121,1270 7.147,1271 135.67,1272 135.67,1273 18,1274 12.459,1275 4.392,1276 3.585,1277 46.873,1278 102,1279 107,1280 0.228,1281 190.329,1282 324.66,1283 456.163,1284 11280,1286 19.389,1287 0.718,1288 0.55,1289 19.389,1290 14.846,1291 12.99,1292 0.448,1293 0.292,1294 8.364,1295 12.476,1296 8.172,1297 6.834,1298 12.99,1299 8.477,1300 11.622,1301 0.291,1302 0.149,1303 11.622,1304 5.97,1305 9.365,1306 0.18,1307 0.08,1308 9.365,1309 4.173,1310 8.067,1311 0.119,1312 0.043,1313 8.067,1314 2.897,1315 6.327,1316 0.076,1317 0.023,1318 6.327,1319 1.917,1320 0.354,1321 81.689,1322 0.23,1323 25.83,1324 0.637,1325 138,1326 429.364,1327 152.281,1328 423.043,1329 572.5,1330 390,1331 161,1332 431.379,1333 174.674,1334 433.708,1335 626.55,1336 407,1337 7.602}
{0 CHEMBL81493,1 1.675,2 8.455,3 2.138,4 4.571,5 89.004,6 7.559,7 0.522,8 3.789,9 3.936,10 3.339,11 3.232,12 5.031,13 3.232,14 4.261,15 4.453,16 3.68,17 3.594,18 5.583,19 3.569,20 4.469,21 4.69,22 3.786,23 3.734,24 5.605,25 3.712,26 4.53,27 4.711,28 3.862,29 3.801,30 5.831,31 3.774,32 4.675,33 4.888,34 3.745,35 3.818,36 5.9,37 3.761,38 4.71,39 4.981,40 3.549,41 3.667,42 5.85,43 3.571,44 4.481,45 4.753,46 3.444,47 3.339,48 5.87,49 3.278,50 4.094,51 4.323,52 3.043,53 3.029,54 5.387,55 3.002,56 0.178,57 0.627,58 8.285,59 2.848,60 14.248,61 4.269,62 0.312,63 0.908,64 14.566,65 5.21,66 52.934,67 7.586,68 0.308,69 1.066,70 18.761,71 5.457,72 32.924,73 8.638,74 0.367,75 1.131,76 19,77 6.197,78 44.639,79 9.209,80 0.438,81 1.167,82 23.315,83 6.312,84 66.717,85 9.939,86 0.581,87 1.006,88 26.978,89 6.823,90 79.281,91 10.952,92 0.728,93 0.726,94 22.364,95 5.121,96 108.972,97 8.351,98 0.401,99 0.532,100 14.337,101 2.96,102 58.593,103 4.659,104 47,105 32,106 0.298,107 0.652,108 0.795,109 0.861,110 0.861,111 0.861,112 3.147,113 0.903,114 -3.84,115 -3.8,116 -3.61,119 35,120 2,121 1,125 1,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 5,169 2,170 4,172 3,173 3,175 3,178 5,180 1,182 7,185 1,187 3,189 4,191 1,193 11,195 1,196 3,197 1,198 6,200 2,201 4,204 5,205 1,207 8,212 5,215 5,218 4,220 2,221 3,223 1,224 1,226 2,229 2,231 2,233 4,234 3,236 2,237 4,238 1,239 2,240 1,241 1,243 1,246 2,248 1,249 1,251 1,260 2,262 2,263 2,264 1,265 1,267 1,268 1,270 1,273 616,274 14.516,275 14.516,276 14.516,277 14.516,278 14.516,279 12.722,280 20.777,281 8.514,282 14.846,283 11.226,284 11.226,285 11.226,286 11.226,287 11.226,288 8.455,289 28.02,290 3.815,291 11.721,292 3.647,293 1.658,294 0.857,295 0.488,296 0.488,297 0.488,298 3.802,300 1,301 1,302 1,303 375,304 3.082,307 146.857,314 1.231,315 29.262,316 1,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 49,327 186,328 4.557,329 3.806,330 6.777,331 4.163,332 3.185,333 4.297,334 2.612,335 11.103,336 3.116,337 4.339,338 3.232,339 6.402,340 3.888,341 2.925,342 4.023,343 0.4,344 9.752,345 2.816,346 3.707,347 2.731,348 5.325,349 3.231,350 2.292,351 3.173,353 6.703,354 2.153,355 3.498,356 2.358,357 5.038,358 2.959,359 2,360 2.838,362 5.704,363 1.914,364 3.3,365 2.224,366 4.914,367 2.931,368 1.983,369 2.549,371 5.323,372 1.877,373 3.121,374 1.904,375 4.77,376 2.715,377 1.765,378 2.335,380 5,381 1.669,382 2.612,383 1.481,384 3.629,385 2.053,386 1.095,387 1.598,389 2.425,390 1.047,391 2.208,392 1.188,393 3.379,394 2,395 1,396 1.185,398 1.97,399 1,400 1.722,401 1,402 3.143,403 1.54,404 0.558,405 0.627,407 1.027,408 0.547,409 1.355,410 0.674,411 2.741,412 1.078,413 0.122,414 0.143,415 0.227,416 0.116,417 1.05,418 0.243,419 2.436,420 0.718,421 -0.235,422 -0.283,423 -0.491,424 -0.224,425 1,426 -0.049,427 2.289,428 0.438,429 -0.479,430 -0.587,431 -1.148,432 -0.437,433 0.825,434 -0.305,435 2.228,436 0.193,437 -0.789,438 -0.935,439 -1.625,440 -0.77,441 0.647,442 -0.597,443 1.884,444 0.13,445 -0.828,446 -1.051,448 -2,449 -0.793,450 0.364,451 -0.663,452 1.64,454 -1,455 -1.265,457 -2.043,458 -0.967,459 10.067,460 0.458,461 0.613,462 0.028,463 30.75,464 1.398,465 16.5,466 0.75,467 14.25,468 0.648,469 15.593,470 0.709,471 24.733,472 0.618,473 23.134,474 1.052,475 5.925,476 0.269,477 4.547,478 0.207,479 0.245,481 0.387,485 0.643,486 1.301,487 0.812,488 1.016,489 0.717,490 0.943,491 0.423,492 1.087,493 0.658,494 1.036,495 0.328,496 0.917,497 0.813,498 1.072,499 0.763,500 0.871,501 0.581,502 0.793,503 0.842,504 1.335,505 0.959,506 1.277,507 0.824,508 1.164,509 1.242,510 1.283,511 1.268,512 1.282,513 1.193,514 1.27,515 1.105,516 0.936,517 1.048,518 1.03,519 1.189,520 1.032,521 0.974,522 0.734,523 0.841,524 0.802,525 1.202,526 0.817,527 1.976,528 0.996,529 1.367,530 0.972,531 2.074,532 1.048,533 5,534 0.029,535 2.667,536 2.313,537 1.578,538 1.028,539 0.729,540 0.306,541 0.217,542 0.066,543 3951,544 12737,545 1.919,546 45,547 3,548 5,551 5,552 2,553 3,555 1.652,556 1.737,557 3.039,558 2.824,559 1,560 1,562 1,564 67.006,565 1.675,566 3.663,567 4.465,568 4.834,569 4.834,570 4.834,571 2.463,572 4.187,573 4.429,574 3.153,575 728.4,576 7.646,577 7822.09,578 1,579 1,581 1,582 212.877,583 1.573,584 4.349,585 0.217,586 0.01,587 0.083,588 0.064,589 0.043,590 0.033,591 0.03,592 0.015,593 0.016,594 0.007,595 0.518,596 0.17,597 1,598 1.309,599 99.256,600 0.083,601 0.032,602 0.01,603 0.108,604 -0.106,605 0.055,606 0.3,607 0.078,608 0.217,609 0.074,610 0.311,611 0.117,612 -0.068,613 0.045,614 0.146,615 0.165,616 0.002,617 0.207,618 0.038,619 -0.172,620 -0.072,621 -0.199,622 0.037,623 -0.169,624 -0.277,625 -0.205,626 -0.338,627 -0.285,628 -0.208,629 -0.311,630 -0.083,631 -0.059,632 -0.035,633 -0.09,634 -0.13,635 -0.059,636 0.329,637 0.067,638 0.236,639 0.081,640 0.215,641 0.119,642 -0.438,643 -0.088,644 -0.313,645 -0.099,646 -0.361,647 -0.171,648 2.429,649 4.257,650 0.545,651 16,652 1.014,653 1.147,654 2.611,655 6.817,656 0.638,657 3.178,658 3.497,659 3.761,660 4.043,661 4.22,662 4.263,663 4.317,664 4.29,665 4.263,666 4.007,667 5.003,668 0.618,669 302.38,670 3.178,671 4.71,672 5.557,673 6.447,674 7.319,675 8.216,676 9.096,677 9.994,678 10.877,679 11.776,680 15,684 2,685 1,690 2,691 1,695 3,696 2,700 7,702 12,711 2,712 1,713 1,718 40,719 14,720 1,721 23,723 41,724 14,725 10,726 3,727 3,729 2,730 2,734 2,739 1,741 10,742 4,744 2,746 1,748 2,753 1,754 1,757 18,758 7,759 5,760 8,764 6,769 1,770 2,776 1,781 2,802 2,806 2,810 22,811 2,816 2,817 1,829 5,835 2,836 12.667,837 7.6,838 5.056,839 2.49,840 2.512,841 1.386,842 0.955,843 4.905,844 9.011,845 3.466,846 4.094,847 4.659,848 5.263,849 5.793,850 6.088,851 6.45,852 6.715,853 7.029,854 7.15,855 0.833,856 36,857 8.079,859 3.367,860 8.098,861 14.841,863 11.53,865 2.598,866 57.167,870 153.024,871 69.588,872 123.046,874 50.747,877 69.588,878 203.771,879 123.046,880 23.32,881 4.64,882 94.223,883 51.582,884 14.641,885 4.227,886 153.024,887 50.747,888 153.024,889 192.634,890 50.747,893 117.711,894 35.313,895 50.747,897 26.946,898 108.436,899 57.252,901 153.024,902 173.793,903 69.588,906 153.024,907 23.509,908 51.749,909 18.011,910 150.112,911 153.024,912 173.793,913 69.588,915 0.573,916 0.345,917 0.201,918 0.11,919 14,920 8,921 0.122,922 5,924 1,925 3.184,926 169.406,928 12,929 96.107,933 16.142,934 6.685,935 3.347,937 168.123,938 4.893,939 8.114,943 2.606,945 83.805,946 396.405,947 31,949 -0.429,951 22.513,956 40.567,957 45.9,958 0.315,959 0.688,960 0.839,961 0.908,962 0.908,963 0.908,964 4.691,965 1,966 5.565,967 2.425,968 4.174,969 4.779,970 2.527,971 6.412,972 4.097,973 5.928,974 0.558,975 7.152,976 1.97,977 3.892,978 4.783,979 2.361,980 7.42,981 3.78,982 7.262,983 0.122,984 8.842,985 1.027,986 5.796,987 7.041,988 4.155,989 10.528,990 5.653,991 8.633,992 -0.235,993 10.589,994 0.227,995 6.293,996 7.803,997 4.506,998 12.348,999 6.128,1000 10.032,1001 -0.479,1002 12.374,1003 -0.491,1004 7.718,1005 9.589,1006 5.948,1007 14.991,1008 7.526,1009 11.452,1010 -0.789,1011 14.184,1012 -1.148,1013 8.571,1014 10.696,1015 6.556,1016 17.147,1017 8.36,1018 12.888,1019 -0.828,1020 16.013,1021 -1.625,1022 9.814,1023 12.293,1024 7.794,1025 19.625,1026 9.579,1027 3.185,1028 -1,1029 17.857,1030 -2,1031 10.829,1032 13.567,1033 8.548,1034 21.919,1035 10.574,1036 2.925,1037 11.103,1038 19.713,1039 -2.043,1040 12.003,1041 15.08,1042 9.67,1043 24.338,1044 11.726,1045 2.292,1046 9.752,1047 21.577,1048 4.297,1049 13.088,1050 16.437,1051 10.509,1052 26.688,1053 12.791,1054 2,1055 6.703,1056 23.449,1057 4.023,1058 14.238,1059 17.912,1060 11.563,1061 29.087,1062 13.92,1063 1.983,1064 5.704,1065 25.326,1066 3.173,1067 15.355,1068 19.31,1069 12.452,1070 31.461,1071 15.015,1072 1.765,1073 5.323,1074 27.208,1075 2.838,1076 16.498,1077 20.767,1078 13.468,1079 33.855,1080 16.137,1081 1.095,1082 5,1083 29.094,1084 2.549,1085 17.628,1086 22.187,1087 14.386,1088 36.241,1089 17.247,1090 4165,1091 7609,1092 14.334,1093 25.512,1094 33.883,1095 35.389,1096 36.67,1097 33.899,1098 33.847,1099 45.535,1100 6.025,1101 98.467,1102 32.509,1103 5.282,1104 5.806,1105 6.543,1106 5.233,1107 5.185,1108 7.297,1109 4.612,1110 17.995,1111 5.116,1112 14.077,1113 1.473,1114 1.539,1115 1.594,1116 1.474,1117 1.472,1118 1.98,1119 0.262,1120 4.281,1121 1.413,1122 4.053,1123 4.084,1124 4.024,1125 3.945,1126 7.815,1127 3.956,1128 3.831,1129 3.881,1130 3.803,1131 3.644,1132 6.999,1133 3.67,1134 3.524,1135 3.599,1136 3.446,1137 3.295,1138 5.285,1139 3.282,1140 3.435,1141 3.492,1142 3.289,1143 3.191,1144 4.98,1145 3.188,1146 3.387,1147 3.464,1148 3.204,1149 3.031,1150 4.7,1151 3.124,1152 3.088,1153 3.204,1154 2.957,1155 2.832,1156 4.419,1157 2.851,1158 2.888,1159 2.991,1160 2.716,1161 2.611,1162 4.168,1163 2.633,1164 2.707,1165 2.836,1166 2.51,1167 2.426,1168 3.965,1169 2.435,1170 0.198,1171 0.165,1172 0.295,1173 0.181,1174 0.138,1175 4.557,1176 0.187,1177 3.806,1178 0.114,1179 6.777,1180 0.483,1181 4.163,1182 0.135,1183 3.185,1184 4.297,1185 2.612,1186 11.103,1187 3.116,1188 1.979,1189 1.954,1190 2.053,1191 2.121,1192 1.208,1193 2.092,1194 1.74,1195 1.693,1196 1.894,1197 1.962,1198 1.054,1199 1.926,1200 1.488,1201 1.402,1202 1.795,1203 1.754,1204 0.945,1205 1.756,1206 1.382,1207 1.298,1208 1.621,1209 1.641,1210 0.609,1211 1.658,1212 1.186,1213 1.152,1214 1.289,1215 1.598,1216 0.219,1217 1.526,1218 0.999,1219 0.914,1220 1.259,1221 1.367,1222 0.213,1223 1.351,1224 0.837,1225 0.727,1226 1.166,1227 1.15,1228 0.123,1229 1.167,1230 0.677,1231 0.559,1232 1.091,1233 1.028,1234 0.025,1235 1.056,1236 3.85,1238 5.165,1240 6.688,1242 8.318,1244 10.002,1246 3.782,1250 11.539,1252 1.183,1253 2.964,1262 24.719,1263 67.006,1264 146.538,1265 178.612,1266 193.367,1267 193.367,1268 193.367,1269 49.301,1270 6.5,1271 135.67,1272 135.67,1273 12,1274 12.302,1275 3.907,1276 3.17,1277 41.907,1278 65,1279 72,1280 0.328,1281 158.543,1282 269.34,1283 378.605,1284 4420,1286 16.276,1287 0.74,1288 0.566,1289 16.276,1290 12.459,1291 10.473,1292 0.455,1293 0.301,1294 6.807,1295 9.947,1296 6.625,1297 5.576,1298 10.473,1299 6.92,1300 9.329,1301 0.292,1302 0.146,1303 9.329,1304 4.662,1305 7.354,1306 0.175,1307 0.077,1308 7.354,1309 3.214,1310 6.512,1311 0.116,1312 0.041,1313 6.512,1314 2.295,1315 4.989,1316 0.074,1317 0.022,1318 4.989,1319 1.484,1320 0.493,1321 66.583,1322 0.264,1323 21.164,1324 0.968,1325 110,1326 369.364,1327 124.281,1328 359.722,1329 483.05,1330 330,1331 129,1332 365.379,1333 142.341,1334 363.538,1335 526.65,1336 341,1337 6.796}
{0 CHEMBL81552,1 1.603,2 10.036,3 3.726,4 13.885,5 113.103,6 7.57,7 0.6,8 4.007,9 4.143,10 3.575,11 3.515,12 5.221,13 3.503,14 4.487,15 4.669,16 3.92,17 3.891,18 5.747,19 3.858,20 4.705,21 4.9,22 4.023,23 4.057,24 5.8,25 4.01,26 4.854,27 5.059,28 4.087,29 4.117,30 6.024,31 4.06,32 4.958,33 5.179,34 4.026,35 4.157,36 6.098,37 4.084,38 5.009,39 5.262,40 3.917,41 4.117,42 6.081,43 4.01,44 4.852,45 5.107,46 3.944,47 3.983,48 5.941,49 3.91,50 4.79,51 5.016,52 3.887,53 3.854,54 6.189,55 3.815,56 0.157,57 0.782,58 10.002,59 3.958,60 14.264,61 5.482,62 0.316,63 1.179,64 17.804,65 6.879,66 51.184,67 9.527,68 0.213,69 1.429,70 22.405,71 8.211,72 28.156,73 11.707,74 0.38,75 1.571,76 27.031,77 9.442,78 47.121,79 13.537,80 0.445,81 1.677,82 30.969,83 9.601,84 69.747,85 13.921,86 0.59,87 1.613,88 35.144,89 11.247,90 94.684,91 16.178,92 0.348,93 1.427,94 29.372,95 9.567,96 44.668,97 14.161,98 0.745,99 1.299,100 27.641,101 7.18,102 110.121,103 10.496,104 41,105 42,106 0.268,107 0.612,108 0.763,109 0.843,110 0.852,111 0.852,112 3.375,113 0.886,114 -5.05,115 -4.95,116 -4.64,119 40,120 1,121 1,124 1,125 1,139 8,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 11,169 2,170 6,172 3,173 3,175 1,178 11,180 1,181 1,182 11,187 1,189 7,191 1,192 2,193 14,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,207 8,212 4,215 7,218 4,220 2,221 7,223 1,224 1,226 2,229 9,231 2,233 2,234 8,236 1,237 1,239 1,241 9,243 1,245 4,246 10,248 3,249 3,251 1,254 7,256 1,260 8,262 1,263 1,265 2,268 5,270 2,273 1246,274 18.577,275 18.577,276 18.577,277 18.577,278 18.577,279 16.056,280 23.098,281 10.881,282 18.906,283 14.728,284 14.728,285 14.728,286 14.728,287 14.728,288 10.943,289 31.464,290 5.055,291 15.262,292 4.041,293 1.984,294 1.085,295 0.605,296 0.55,297 0.55,298 4.052,301 1,302 1,303 588,304 3.464,307 287.167,314 1.398,315 30.561,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 61,327 281,328 4.566,329 3.813,330 6.789,331 4.178,332 3.203,333 4.297,334 2.612,335 11.144,336 3.126,337 4.379,338 3.249,339 6.587,340 3.97,341 3.012,342 4.049,343 0.916,344 10.366,345 2.885,346 3.923,347 3.089,348 5.578,349 3.542,350 2.558,351 3.455,352 0.172,353 7.374,354 2.52,355 3.753,356 2.634,357 5.356,358 3.258,359 2.315,360 3.237,362 6.785,363 2.185,364 3.54,365 2.367,366 5.201,367 3.112,368 2.162,369 2.843,371 6.137,372 2.046,373 3.301,374 2.226,375 5.038,376 2.935,377 1.987,378 2.549,380 5.703,381 1.879,382 3.181,383 1.998,384 4.779,385 2.754,386 1.804,387 2.401,389 5.041,390 1.706,391 2.913,392 1.721,393 4.077,394 2.462,395 1.467,396 2.074,398 3.329,399 1.458,400 2.753,401 1.504,402 3.68,403 2.172,404 1.183,405 1.804,407 2.816,408 1.169,409 2.5,410 1.088,411 3.519,412 2,413 1,414 1.5,415 2.517,416 1,417 2.349,418 1,419 3.3,420 1.975,421 1,422 1.306,423 2.136,424 0.972,425 1.721,426 1,427 3.247,428 1.52,429 0.536,430 0.613,431 1.002,432 0.527,433 1.326,434 0.673,435 2.745,436 0.994,437 0.044,438 0.054,439 0.095,440 0.041,441 1.072,442 0.196,443 2.689,444 0.789,445 -0.184,446 -0.217,448 -0.453,449 -0.178,450 1,451 0.1,452 2.438,453 0.458,454 -0.474,455 -0.585,457 -1.143,458 -0.435,459 13.067,460 0.467,461 0.771,462 0.028,463 40.5,464 1.446,465 22.5,466 0.804,467 18,468 0.643,469 20.907,470 0.747,471 30.133,472 0.603,473 32.76,474 1.17,475 8.026,476 0.287,477 5.375,478 0.192,479 0.189,481 0.367,485 0.603,486 1.229,487 0.789,488 0.984,489 0.696,490 0.92,491 0.505,492 0.954,493 0.727,494 0.918,495 0.34,496 0.866,497 0.749,498 1.198,499 0.888,500 1.088,501 0.569,502 1.014,503 0.791,504 1.22,505 0.945,506 1.163,507 0.737,508 1.095,509 1.226,510 1.113,511 1.216,512 1.112,513 1.106,514 1.141,515 1.118,516 0.893,517 1.059,518 0.97,519 1.269,520 1.01,521 0.754,522 1.03,523 0.764,524 1.01,525 0.714,526 0.905,527 1.425,528 0.877,529 1.19,530 0.941,531 1.415,532 1.002,533 6,534 0.083,535 3.111,536 2.75,537 2.009,538 1.153,539 0.894,540 0.595,541 0.448,542 0.202,543 8516,544 24921,545 1.993,546 44,547 3,548 13,551 4,552 2,555 1.717,556 1.826,557 3.284,558 1.698,560 1,564 80.137,565 1.603,566 3.659,567 4.559,568 5.039,569 5.094,570 5.094,571 2.71,572 4.593,573 4.778,574 3.428,575 1295.74,576 8.348,577 16771.2,579 1,581 1,582 282.193,583 1.531,584 4.714,585 0.2,586 0.005,587 0.074,588 0.06,589 0.043,590 0.027,591 0.024,592 0.015,593 0.013,594 0.008,595 0.468,597 1,598 0.92,599 138.49,600 0.124,601 0.012,602 0.031,603 0.069,604 -0.088,605 0.039,606 0.25,607 0.174,608 0.153,609 0.123,610 0.285,611 0.121,612 -0.038,613 -0.094,615 -0.059,616 -0.006,617 -0.026,618 0.077,619 -0.167,620 -0.02,621 -0.155,622 0.063,623 -0.116,624 -0.243,625 -0.066,626 -0.264,627 -0.147,628 -0.163,629 -0.191,630 -0.094,631 0.027,632 -0.055,633 0.015,634 -0.175,635 -0.014,636 0.114,637 -0.09,638 0.227,639 -0.022,640 0.095,641 0.101,642 0.042,643 0.136,644 -0.155,645 -0.051,646 0.106,647 -0.115,648 2.385,649 4.574,650 0.643,651 24.643,652 1.007,653 1.135,654 3.824,655 14.624,656 0.661,657 3.434,658 3.761,659 4.025,660 4.304,661 4.5,662 4.543,663 4.673,664 4.745,665 4.771,666 4.745,667 6.017,668 0.635,669 378.48,670 3.434,671 4.977,672 5.826,673 6.713,674 7.582,675 8.475,676 9.353,677 10.248,678 11.131,679 12.029,680 12,684 2,686 1,690 2,691 1,695 8,696 2,700 8,702 18,711 2,713 1,714 1,718 50,719 20,720 2,721 30,723 52,724 20,725 16,726 4,727 8,729 3,730 3,734 1,739 1,741 16,742 4,744 2,746 1,748 2,754 1,757 22,758 7,759 4,760 8,764 6,769 1,770 2,776 1,781 3,802 3,806 2,810 28,811 2,816 2,821 1,829 4,835 2,836 15.333,837 9.467,838 6.25,839 2.889,840 3.234,841 1.449,842 0.978,843 5.879,844 10.433,845 3.738,846 4.363,847 4.922,848 5.508,849 6.032,850 6.273,851 6.675,852 7.037,853 7.347,854 7.665,855 0.857,856 46,857 10.303,859 4.334,860 7.94,861 19.226,863 15.299,865 2.44,866 68.333,868 1,869 1,870 211.88,871 119.726,872 108.16,874 50.747,877 119.726,878 262.627,879 108.16,880 22.892,881 4.64,882 141.604,883 33.571,884 20.951,885 4.227,886 211.88,887 50.747,888 211.88,889 227.886,890 50.747,893 211.88,895 50.747,897 18.121,898 170.523,899 39.241,901 211.88,902 158.907,903 119.726,906 211.88,907 26.694,908 101.826,910 150.112,911 211.88,912 158.907,913 119.726,915 0.581,916 0.344,917 0.194,918 0.105,919 19,920 10,921 0.115,922 6,924 1,925 3.763,926 243.768,928 18,929 128.606,933 19.74,934 8.339,935 4.299,937 153.237,938 14.681,939 8.323,943 4.011,945 65.794,946 490.512,947 41,949 -0.385,951 23.148,956 50.334,957 56.73,958 0.284,959 0.648,960 0.808,961 0.893,962 0.903,963 0.903,964 4.966,965 1.467,966 5.826,967 5.041,968 4.443,969 5.05,970 2.618,971 6.658,972 4.374,973 6.194,974 1.183,975 7.402,976 3.329,977 4.111,978 4.934,979 2.396,980 7.624,981 3.993,982 7.513,983 1,984 9.079,985 2.816,986 6.052,987 7.273,988 4.169,989 10.741,990 5.918,991 8.868,992 1,993 10.816,994 2.517,995 6.509,996 7.931,997 4.512,998 12.54,999 6.332,1000 10.252,1001 0.536,1002 12.592,1003 2.136,1004 7.955,1005 9.775,1006 5.95,1007 15.189,1008 7.762,1009 11.658,1010 0.044,1011 14.395,1012 1.002,1013 8.779,1014 10.805,1015 6.557,1016 17.338,1017 8.549,1018 13.081,1019 -0.184,1020 16.219,1021 0.095,1022 10.032,1023 12.436,1024 7.794,1025 19.823,1026 9.783,1027 3.203,1028 -0.474,1029 18.059,1030 -0.453,1031 11.029,1032 13.659,1033 8.548,1034 22.116,1035 10.748,1036 3.012,1037 11.144,1038 19.911,1039 -1.143,1040 12.208,1041 15.189,1042 9.67,1043 24.541,1044 11.904,1045 2.558,1046 10.366,1047 21.774,1048 4.297,1049 13.285,1050 16.513,1051 10.509,1052 26.893,1053 12.951,1054 2.315,1055 7.374,1056 23.644,1057 4.049,1058 14.438,1059 17.996,1060 11.563,1061 29.296,1062 14.08,1063 2.162,1064 6.785,1065 25.521,1066 3.455,1067 15.551,1068 19.374,1069 12.452,1070 31.672,1071 15.165,1072 1.987,1073 6.137,1074 27.404,1075 3.237,1076 16.696,1077 20.834,1078 13.468,1079 34.068,1080 16.286,1081 1.804,1082 5.703,1083 29.29,1084 2.843,1085 17.827,1086 22.242,1087 14.386,1088 36.455,1089 17.39,1090 8455,1091 14624,1092 19.304,1093 33.034,1094 44.959,1095 46,1096 47.099,1097 44.611,1098 44.544,1099 60.364,1100 7.402,1101 128.89,1102 43.032,1103 5.401,1104 5.813,1105 6.591,1106 5.248,1107 5.203,1108 7.297,1109 4.612,1110 18.108,1111 5.126,1112 16.45,1113 1.499,1114 1.533,1115 1.57,1116 1.487,1117 1.485,1118 2.012,1119 0.247,1120 4.296,1121 1.434,1122 4.065,1123 4.097,1124 4.033,1125 3.96,1126 7.815,1127 3.969,1128 3.9,1129 3.937,1130 3.837,1131 3.836,1132 6.999,1133 3.83,1134 3.831,1135 3.874,1136 3.798,1137 3.644,1138 5.285,1139 3.671,1140 3.481,1141 3.53,1142 3.438,1143 3.214,1144 4.98,1145 3.208,1146 3.399,1147 3.488,1148 3.25,1149 3.181,1150 4.767,1151 3.188,1152 3.369,1153 3.436,1154 3.204,1155 3.025,1156 4.663,1157 3.117,1158 3.065,1159 3.187,1160 2.932,1161 2.812,1162 4.406,1163 2.793,1164 2.964,1165 3.054,1166 2.768,1167 2.735,1168 4.11,1169 2.768,1170 0.152,1171 0.127,1172 0.226,1173 0.139,1174 0.107,1175 4.566,1176 0.143,1177 3.813,1178 0.087,1179 6.789,1180 0.371,1181 4.178,1182 0.104,1183 3.203,1184 4.297,1185 2.612,1186 11.144,1187 3.126,1188 1.988,1189 1.963,1190 2.073,1191 2.126,1192 1.234,1193 2.101,1194 1.901,1195 1.872,1196 2.018,1197 1.998,1198 1.149,1199 2.006,1200 1.736,1201 1.692,1202 1.878,1203 1.954,1204 1.026,1205 1.916,1206 1.396,1207 1.314,1208 1.673,1209 1.681,1210 0.776,1211 1.662,1212 1.364,1213 1.283,1214 1.61,1215 1.636,1216 0.597,1217 1.646,1218 1.174,1219 1.137,1220 1.361,1221 1.559,1222 0.501,1223 1.507,1224 1.002,1225 0.918,1226 1.289,1227 1.357,1228 0.218,1229 1.338,1230 0.939,1231 0.836,1232 1.2,1233 1.222,1234 0.174,1235 1.275,1236 4.111,1238 5.434,1240 6.957,1242 8.577,1244 10.248,1246 3.765,1250 11.809,1252 1.137,1257 1.844,1262 31.772,1263 80.137,1264 182.974,1265 227.928,1266 251.928,1267 254.683,1268 254.683,1269 58.082,1270 7.2,1271 126.88,1272 126.88,1273 18,1274 12.556,1275 4.392,1276 3.585,1277 49.311,1278 99,1279 106,1280 0.242,1281 199.921,1282 341.96,1283 479.568,1284 11794,1286 20.259,1287 0.724,1288 0.564,1289 20.259,1290 15.793,1291 13.401,1292 0.447,1293 0.295,1294 8.735,1295 12.849,1296 8.473,1297 7.111,1298 13.401,1299 8.861,1300 12.161,1301 0.29,1302 0.153,1303 12.161,1304 6.445,1305 9.762,1306 0.177,1307 0.082,1308 9.762,1309 4.499,1310 8.533,1311 0.117,1312 0.044,1313 8.533,1314 3.198,1315 6.644,1316 0.075,1317 0.024,1318 6.644,1319 2.112,1320 0.371,1321 84.359,1322 0.228,1323 26.294,1324 0.696,1325 144,1326 440.676,1327 158.641,1328 433.999,1329 587.68,1330 400,1331 169,1332 443.154,1333 183.506,1334 447.489,1335 646.3,1336 418,1337 6.357}
{0 CHEMBL81729,1 1.405,2 10,3 2.206,4 4.865,5 97.216,6 6.648,7 0.48,8 3.934,9 4.092,10 3.404,11 3.403,12 4.972,13 3.373,14 4.477,15 4.703,16 3.751,17 3.798,18 5.44,19 3.74,20 4.708,21 4.946,22 3.818,23 3.995,24 5.597,25 3.905,26 4.805,27 5.05,28 3.78,29 4.048,30 5.717,31 3.914,32 4.872,33 5.155,34 3.635,35 3.982,36 5.773,37 3.831,38 4.748,39 5.056,40 3.34,41 3.785,42 5.56,43 3.599,44 4.457,45 4.771,46 3.146,47 3.511,48 5.203,49 3.328,50 4.186,51 4.457,52 3.12,53 3.342,54 4.992,55 3.219,56 0.062,57 0.742,58 11.217,59 3.641,60 10.51,61 5.86,62 0.267,63 1.136,64 20.114,65 6.21,66 24.241,67 9.892,68 0.255,69 1.365,70 25.322,71 7.945,72 21.573,73 12.758,74 0.202,75 1.428,76 27.587,77 9.871,78 31.692,79 15.188,80 0.291,81 1.396,82 30.31,83 8.977,84 45.221,85 14.869,86 0.262,87 1.142,88 26.912,89 8.067,90 38.735,91 13.298,92 0.223,93 0.848,94 19.985,95 6.726,96 23.998,97 10.479,98 0.117,99 0.727,100 15.043,101 4.535,102 13.105,103 7.518,104 18,105 35,106 0.243,107 0.585,108 0.742,109 0.801,110 0.801,111 0.801,112 3.188,113 0.965,114 -3.73,115 -3.7,116 -3.52,119 36.2,120 1,121 1,124 1,125 4,139 4,140 2,141 1,143 1,144 1,147 1,157 2,158 2,159 2,166 6,169 1,170 5,172 3,173 3,175 1,178 7,180 1,181 1,182 5,187 1,189 6,191 1,193 6,195 1,196 1,197 1,198 5,200 2,201 3,204 5,205 1,207 8,212 5,215 4,218 5,221 2,226 2,229 2,231 2,233 2,234 2,236 1,237 1,239 2,243 2,246 2,262 1,263 1,273 676,274 15.455,275 15.455,276 15.455,277 15.455,278 15.455,279 13.99,280 22.069,281 8.972,282 15.862,283 12.253,284 12.253,285 12.253,286 12.253,287 12.253,288 10.003,289 31.341,290 4.154,291 12.912,292 4.15,293 2.17,294 1.266,295 0.926,296 0.926,297 0.926,298 3.867,300 1,301 1,302 1,303 489,304 2.236,307 229.051,314 1.565,315 15.334,317 1,318 1,319 1,320 1,321 1,322 1,323 1,324 1,325 1,326 49,327 230,328 4.518,329 3.243,330 6.762,331 4.134,332 3.158,333 4.231,334 0.8,335 11.039,336 3.085,337 4.09,338 3.118,339 6.143,340 3.797,341 2.857,342 3.604,343 0.8,344 9.054,345 2.687,346 3.692,347 2.641,348 5.353,349 3.342,350 2.4,351 3.028,353 6.806,354 2.258,355 3.392,356 2.411,357 5.045,358 3.174,359 2.25,360 2.557,362 6.091,363 2.078,364 3.299,365 2.228,366 5.037,367 2.937,368 1.989,369 2.505,371 5.705,372 1.88,373 3.157,374 1.986,375 4.795,376 2.781,377 1.842,378 2.3,380 5.133,381 1.723,382 2.592,383 1.547,384 4.293,385 2.336,386 1.382,387 1.604,389 3.9,390 1.314,391 2.5,392 1.146,393 3.414,394 2,395 1,396 1.5,398 2.275,399 1,400 2,401 1,402 3.414,403 1.967,404 1,405 1,407 2.275,408 0.965,409 1.72,410 0.668,411 3.298,412 1.535,413 0.553,414 0.623,415 1.049,416 0.542,417 1.326,418 0.194,419 2.746,420 1.043,421 0.091,422 0.106,423 0.185,424 0.086,425 0.968,426 -0.018,427 2.547,428 0.765,429 -0.186,430 -0.203,431 -0.429,432 -0.177,433 0.825,434 -0.305,435 2.292,436 0.439,437 -0.477,438 -0.587,439 -1.146,440 -0.436,441 0.614,442 -0.497,443 2.09,444 0.3,445 -0.658,446 -0.804,448 -1.556,449 -0.627,450 0.5,451 -0.6,452 2,453 0.002,454 -0.945,455 -1,457 -2.13,458 -0.893,459 10.9,460 0.474,461 0.592,462 0.026,463 29,464 1.261,465 13.5,466 0.587,467 15.5,468 0.674,469 18.626,470 0.81,471 25.7,472 0.547,473 20.204,474 0.878,475 5.592,476 0.243,477 5.488,478 0.239,479 0.165,481 0.349,485 1.15,486 1.544,487 0.936,488 1.18,489 1.276,490 1.053,491 1.009,492 0.963,493 0.876,494 0.87,495 0.434,496 0.858,497 1.174,498 1.019,499 1.035,500 0.971,501 0.822,502 0.983,503 0.63,504 1.233,505 1.002,506 1.277,507 0.62,508 1.201,509 1.141,510 1.062,511 1.107,512 1.068,513 1.3,514 1.081,515 1.007,516 0.949,517 1.033,518 0.998,519 1.194,520 1.015,521 0.457,522 0.818,523 0.788,524 0.937,525 0.625,526 0.909,527 0.956,528 1.235,529 0.955,530 1.106,531 0.943,532 1.042,533 5,534 0.148,535 2.889,536 2,537 1.329,538 0.729,539 0.584,540 0.278,541 0.18,542 0.122,543 5519,544 12089,545 2.041,546 51.1,547 3,548 15,551 4,552 2,555 1.655,556 1.89,557 3.25,558 1.822,559 1,560 1,564 66.03,565 1.405,566 3.384,567 4.288,568 4.629,569 4.629,570 4.629,571 2.686,572 3.849,573 4.493,574 3.409,575 862.56,576 7.728,577 9721.55,579 1,581 1,582 261.066,583 1.478,584 4.443,585 0.2,586 0.012,587 0.083,588 0.054,589 0.039,590 0.026,591 0.029,592 0.016,593 0.011,594 0.008,595 0.478,596 0.33,597 1,598 0.832,599 107.505,600 -0.092,601 -0.222,602 0.047,603 -0.043,604 -0.188,605 0.01,606 0.142,607 0.204,608 0.123,609 0.159,610 0.305,611 0.142,612 -0.146,613 0.102,614 -0.054,615 0.067,616 -0.042,617 0.026,618 0.102,619 -0.186,620 -0.059,621 -0.193,622 0.199,623 -0.153,624 -0.161,625 -0.081,626 -0.13,627 -0.091,628 -0.125,629 -0.104,630 -0.104,631 -0.047,632 -0.063,633 -0.038,634 -0.149,635 -0.044,636 0.288,637 0.047,638 0.166,639 0.052,640 0.119,641 0.087,642 -0.023,643 -0.238,644 0.018,645 -0.105,646 -0.08,647 -0.048,648 1.433,649 2.079,650 0.783,651 18.809,652 0.991,653 1.143,654 2.501,655 6.256,656 0.636,657 3.258,658 3.584,659 3.85,660 4.111,661 4.317,662 4.331,663 4.394,664 4.454,665 4.533,666 4.595,667 5.779,668 0.593,669 312.47,670 3.258,671 4.796,672 5.645,673 6.526,674 7.392,675 8.277,676 9.148,677 10.034,678 10.907,679 11.794,680 12.8,683 1,684 2,686 1,690 2,695 4,696 2,700 6,702 12,711 2,714 1,718 47,719 12,720 1,721 25,723 49,724 17,725 10,726 2,727 4,729 3,730 3,734 1,739 1,741 10,742 7,753 1,754 1,757 24,758 6,759 4,760 6,764 6,769 1,776 1,781 3,799 1,802 3,806 2,810 23,811 2,816 5,821 2,836 12.167,837 8.8,838 5.111,839 2.885,840 2.335,841 1.337,842 0.989,843 4.689,844 9.269,845 3.466,846 4.043,847 4.6,848 5.17,849 5.693,850 5.937,851 6.278,852 6.595,853 6.876,854 7.144,855 0.857,856 37,857 8.475,859 3.498,860 7.565,861 16.542,863 13.455,865 2.065,866 47.5,870 235.422,871 82.196,872 105.614,877 82.196,878 235.422,879 105.614,880 17.222,881 10.957,882 103.699,883 33.571,884 18.133,885 4.227,886 235.422,888 235.422,889 187.81,893 235.422,897 27.563,898 126.676,899 33.571,901 235.422,902 105.614,903 82.196,906 235.422,907 27.069,908 61.375,910 99.365,911 235.422,912 105.614,913 82.196,915 0.582,916 0.345,917 0.191,918 0.105,919 17,920 8,921 0.061,922 3,924 1,925 3.472,926 182.525,928 18,929 96.042,933 16.029,934 6.728,935 3.408,937 105.614,938 8.488,939 8.428,943 4.75,945 65.794,946 423.232,947 31,956 46.563,957 53.727,958 0.253,959 0.609,960 0.772,961 0.833,962 0.833,963 0.833,964 4.71,965 1,966 5.638,967 3.9,968 4.263,969 4.727,970 1.072,971 6.454,972 4.166,973 5.904,974 1,975 7.203,976 2.275,977 3.892,978 4.543,979 0.57,980 7.383,981 3.732,982 7.207,983 0.553,984 8.865,985 2.275,986 5.861,987 6.881,988 0.653,989 10.475,990 5.678,991 8.543,992 0.091,993 10.586,994 1.049,995 6.275,996 7.487,997 0.479,998 12.247,999 6.049,1000 9.912,1001 -0.186,1002 12.344,1003 0.185,1004 7.737,1005 9.339,1006 0.432,1007 14.873,1008 7.487,1009 11.303,1010 -0.477,1011 14.131,1012 -0.429,1013 8.523,1014 10.332,1015 0.346,1016 17.006,1017 8.245,1018 12.712,1019 -0.658,1020 15.939,1021 -1.146,1022 9.78,1023 11.97,1024 0.291,1025 19.473,1026 9.478,1027 3.158,1028 -0.945,1029 17.764,1030 -1.556,1031 10.747,1032 13.169,1033 0.237,1034 21.758,1035 10.425,1036 2.857,1037 11.039,1038 19.603,1039 -2.13,1040 11.921,1041 14.703,1042 0.195,1043 24.172,1044 11.577,1045 2.4,1046 9.054,1047 21.453,1048 4.231,1049 12.976,1050 16.011,1051 0.158,1052 26.519,1053 12.613,1054 2.25,1055 6.806,1056 23.313,1057 3.604,1058 14.119,1059 17.493,1060 0.129,1061 28.917,1062 13.736,1063 1.989,1064 6.091,1065 25.18,1066 3.028,1067 15.215,1068 18.861,1069 0.104,1070 31.291,1071 14.814,1072 1.842,1073 5.705,1074 27.053,1075 2.557,1076 16.35,1077 20.319,1078 0.084,1079 33.685,1080 15.929,1081 1.382,1082 5.133,1083 28.932,1084 2.505,1085 17.466,1086 21.718,1087 0.068,1088 36.071,1089 17.027,1090 5420,1091 8144,1092 16.414,1093 29.887,1094 37.293,1095 36.951,1096 39.109,1097 37.145,1098 37.044,1099 46.114,1100 3.2,1101 107.024,1102 35.236,1103 5.518,1104 5.243,1105 6.284,1106 5.204,1107 5.158,1108 7.231,1109 1.2,1110 17.923,1111 5.085,1112 12.135,1113 1.492,1114 1.478,1115 1.564,1116 1.486,1117 1.482,1118 1.845,1119 0.128,1120 4.281,1121 1.409,1122 4.026,1123 4.066,1124 3.982,1125 3.938,1126 5.285,1127 3.943,1128 3.84,1129 3.907,1130 3.768,1131 3.664,1132 4.981,1133 3.681,1134 3.683,1135 3.742,1136 3.58,1137 3.524,1138 4.735,1139 3.529,1140 3.392,1141 3.485,1142 3.204,1143 3.191,1144 4.426,1145 3.184,1146 3.198,1147 3.3,1148 3.057,1149 2.954,1150 4.33,1151 2.965,1152 3.111,1153 3.206,1154 2.908,1155 2.941,1156 3.966,1157 2.91,1158 3.074,1159 3.196,1160 2.866,1161 2.794,1162 3.852,1163 2.805,1164 2.854,1165 2.943,1166 2.687,1167 2.735,1168 3.674,1169 2.715,1170 0.181,1171 0.13,1172 0.27,1173 0.165,1174 0.126,1175 4.518,1176 0.169,1177 3.243,1178 0.032,1179 6.762,1180 0.442,1181 4.134,1182 0.123,1183 3.158,1184 4.231,1185 0.8,1186 11.039,1187 3.085,1188 1.974,1189 1.945,1190 2.071,1191 2.09,1192 1.308,1193 2.086,1194 1.783,1195 1.723,1196 1.96,1197 1.994,1198 1.174,1199 1.985,1200 1.651,1201 1.589,1202 1.85,1203 1.824,1204 1.002,1205 1.832,1206 1.381,1207 1.295,1208 1.624,1209 1.633,1210 0.825,1211 1.653,1212 1.17,1213 1.068,1214 1.531,1215 1.455,1216 0.665,1217 1.484,1218 1.153,1219 1.064,1220 1.513,1221 1.376,1222 0.579,1223 1.429,1224 0.989,1225 0.892,1226 1.269,1227 1.365,1228 0.253,1229 1.352,1230 0.886,1231 0.821,1232 1.181,1233 1.104,1234 0.218,1235 1.122,1236 3.932,1238 5.252,1240 6.779,1242 8.398,1244 10.064,1246 4.208,1250 11.781,1252 5.083,1257 4.762,1262 27.87,1263 66.03,1264 159.066,1265 201.556,1266 217.556,1267 217.556,1268 217.556,1269 30.749,1270 6.933,1271 84.3,1272 84.3,1273 18,1274 12.328,1275 3.7,1276 2.807,1277 36.945,1278 80,1279 84,1280 0.232,1281 174.861,1282 293.94,1283 418.422,1284 8553,1286 16.397,1287 0.713,1288 0.599,1289 16.397,1290 13.788,1291 11.08,1292 0.443,1293 0.322,1294 7.926,1295 10.664,1296 7.679,1297 6.403,1298 11.08,1299 8.04,1300 9.994,1301 0.286,1302 0.171,1303 9.994,1304 5.979,1305 8.293,1306 0.18,1307 0.095,1308 8.293,1309 4.389,1310 7.074,1311 0.118,1312 0.05,1313 7.074,1314 3.02,1315 5.637,1316 0.076,1317 0.029,1318 5.637,1319 2.113,1320 0.362,1321 69.144,1322 0.247,1323 22.531,1324 0.643,1325 120,1326 289.205,1327 130.546,1328 289.579,1329 407.34,1330 272,1331 141,1332 312.901,1333 151.713,1334 320.113,1335 467.78,1336 301,1337 4.602}
{0 CHEMBL81820,1 1.712,2 10.043,3 3.207,4 10.287,5 94.271,6 9.439,7 0.68,8 3.739,9 3.869,10 3.491,11 3.308,12 4.962,13 3.301,14 4.199,15 4.362,16 3.908,17 3.697,18 5.432,19 3.665,20 4.404,21 4.566,22 4.111,23 3.848,24 5.608,25 3.794,26 4.488,27 4.689,28 3.851,29 3.771,30 5.683,31 3.684,32 4.532,33 4.804,34 3.56,35 3.65,36 5.551,37 3.539,38 4.31,39 4.562,40 3.45,41 3.538,42 5.333,43 3.409,44 4.158,45 4.389,46 3.442,47 3.449,48 5.205,49 3.336,50 4.073,51 4.31,52 3.554,53 3.357,54 5.197,55 3.248,56 0.106,57 0.594,58 5.025,59 2.604,60 12.856,61 3.093,62 0.238,63 0.886,64 10.562,65 4.842,66 22.978,67 6.124,68 0.309,69 1.025,70 19.259,71 5.941,72 28.346,73 7.108,74 0.394,75 1.077,76 18.539,77 6.71,78 39.209,79 8.631,80 0.514,81 1.029,82 23.928,83 6.503,84 54.536,85 8.5,86 0.361,87 0.814,88 20.346,89 6.271,90 38.017,91 8.323,92 0.268,93 0.703,94 16.061,95 5.123,96 29.485,97 6.604,98 0.258,99 0.604,100 16.129,101 5.072,102 27.467,103 6.72,104 26,105 36,106 0.307,107 0.699,108 0.821,109 0.873,110 0.883,111 0.883,112 3.188,113 0.909,114 -4.65,115 -4.57,116 -4.3,119 40.5,120 1,125 1,139 3,140 3,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 4,169 2,170 4,172 3,173 3,175 4,178 6,180 1,182 3,187 3,189 5,191 1,192 1,193 5,195 3,196 4,197 1,198 6,200 2,201 3,204 3,205 1,212 2,215 3,218 1,221 2,224 2,225 1,226 2,228 1,229 6,231 2,234 1,241 4,246 5,250 1,251 2,253 1,254 3,256 2,260 3,265 1,268 2,270 1,273 692,274 15.085,275 15.085,276 15.085,277 15.085,278 15.085,279 12.847,280 19.062,281 8.621,282 15.611,283 12.279,284 12.279,285 12.279,286 12.279,287 12.279,288 8.977,289 27.486,290 4.072,291 13.279,292 3.498,293 1.317,294 0.635,295 0.345,296 0.291,297 0.291,298 3.865,299 2,300 1,301 1,302 1,303 492,304 2.55,307 190.708,311 100.112,314 1.44,315 22.849,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 49.667,327 231,328 4.654,329 3.325,330 6.835,331 4.185,332 3.212,333 4.616,334 0.657,335 11.231,336 3.13,337 4.215,338 3.303,339 5.952,340 3.736,341 2.831,342 3.87,344 8.331,345 2.555,346 3.908,347 2.77,348 5.801,349 3.498,350 2.547,351 3.41,353 7.856,354 2.411,355 3.521,356 2.481,357 5.207,358 3.112,359 2.207,360 2.862,362 6.407,363 1.933,364 3.451,365 2.187,366 5.093,367 2.966,368 2.035,369 2.829,371 5.895,372 1.854,373 3.368,374 2.126,375 5.005,376 2.893,377 1.968,378 2.689,380 5.785,381 1.807,382 2.82,383 2.045,384 4.245,385 2.314,386 1.414,387 1.949,389 3.555,390 1.292,391 2.707,392 1.635,393 4.042,394 2.305,395 1.361,396 1.777,398 3.516,399 1.199,400 2.048,401 1.07,402 3.365,403 1.761,404 0.836,405 0.98,407 1.959,408 0.761,409 1.512,410 0.72,411 2.873,412 1.095,413 0.231,414 0.281,415 0.531,416 0.173,417 1.243,418 0.298,419 2.818,420 0.839,421 -0.056,422 -0.07,423 -0.135,424 -0.043,425 1.174,426 0.107,427 2.614,428 0.747,429 -0.126,430 -0.153,431 -0.321,432 -0.117,433 0.897,434 -0.096,435 2.379,436 0.454,437 -0.449,438 -0.571,439 -1.157,440 -0.387,441 0.72,442 -0.297,443 2.311,444 0.262,445 -0.623,446 -0.764,448 -1.583,449 -0.464,450 0.444,451 -0.529,452 2,453 0.104,454 -0.808,455 -1.016,457 -2.065,458 -0.7,459 11.329,460 0.493,461 0.72,462 0.031,463 33,464 1.435,465 17.5,466 0.761,467 15.5,468 0.674,469 17.014,470 0.74,471 24.071,472 0.651,473 22.381,474 0.973,475 6.462,476 0.281,477 4.49,478 0.195,479 0.241,481 0.397,485 0.932,486 1.229,487 0.551,488 0.72,489 1.081,490 0.714,491 0.599,492 0.906,493 0.546,494 0.713,495 0.465,496 0.725,497 1.008,498 1.325,499 0.831,500 1.015,501 0.867,502 0.998,503 0.723,504 1.205,505 0.903,506 1.27,507 0.68,508 1.284,509 1.13,510 0.837,511 0.824,512 0.81,513 1.184,514 0.964,515 0.801,516 0.767,517 0.884,518 0.949,519 0.912,520 1.027,521 1.008,522 0.941,523 0.921,524 0.936,525 1.071,526 1.011,527 0.748,528 0.962,529 0.805,530 0.879,531 0.732,532 0.855,533 5.5,534 0.132,535 3.111,536 2.063,537 1.782,538 0.639,539 0.344,540 0.389,541 0.221,542 0.183,543 5573,544 20283,545 2.016,546 37.8,547 3,548 5,550 1,551 5,555 1.654,556 1.84,557 3.275,558 2.761,559 1,560 1,562 1,564 63.334,565 1.712,566 3.892,567 4.574,568 4.865,569 4.919,570 4.919,571 2.736,572 4.35,573 4.497,574 3.415,575 863.899,576 7.727,577 9782.39,578 1,579 1,580 1,581 1,582 192.75,583 1.538,584 4.428,585 0.22,586 0.011,587 0.086,588 0.054,589 0.057,590 0.028,591 0.016,592 0.019,593 0.011,594 0.011,595 0.515,596 0.17,597 1,598 0.675,599 107.709,600 -0.208,601 -0.024,602 -0.019,603 0.103,604 -0.298,605 0.089,606 0.171,607 0.209,608 0.117,609 0.173,610 0.23,611 0.158,612 -0.101,613 -0.257,614 0.029,615 -0.093,616 -0.057,617 -0.106,618 0.129,619 -0.18,620 -0.136,621 -0.363,622 0.151,623 -0.358,624 -0.231,625 0.126,626 -0.068,627 0.098,628 -0.25,629 0.014,630 0.02,631 0.147,632 -0.031,633 0.038,634 -0.047,635 0.015,636 -0.16,638 -0.046,639 0.044,640 -0.201,641 0.002,642 0.163,643 -0.084,644 0.221,645 0.16,646 0.21,647 0.213,648 1.552,649 1.947,650 0.696,651 17.837,652 1.018,653 1.134,654 3.424,655 11.722,656 0.718,657 3.258,658 3.611,659 3.871,660 4.111,661 4.317,662 4.344,663 4.331,664 4.443,665 4.522,666 4.533,667 5.811,668 0.687,669 349.25,670 3.258,671 4.812,672 5.666,673 6.553,674 7.421,675 8.31,676 9.184,677 10.074,678 10.951,679 11.843,680 16.2,684 2,685 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,712 1,717 2,718 37,719 17,720 1,721 25,723 39,724 15,725 13,726 3,727 3,729 3,730 4,731 2,734 1,741 13,742 2,753 1,754 1,757 14,758 6,759 5,760 8,761 2,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,807 2,810 23,811 2,816 1,817 1,828 2,836 12.5,837 6.886,838 4.972,839 1.958,840 3.341,841 1.477,842 1.017,843 4.436,844 10.342,845 3.541,846 4.234,847 4.852,848 5.453,849 6.026,850 6.282,851 6.548,852 6.926,853 7.308,854 7.418,855 0.857,856 38,857 8.391,859 3.542,860 7.857,861 15.674,863 12.608,865 2.357,866 54.222,870 105.94,871 73.051,872 134.162,873 78.297,877 73.051,878 184.237,879 134.162,880 8.825,881 2.106,882 94.223,883 80.138,884 29.465,885 4.227,886 94.169,887 78.297,888 105.94,889 207.213,891 78.297,893 107.655,897 21.877,898 115.253,899 146.665,901 105.94,902 134.162,903 151.349,906 105.94,907 26.75,908 46.301,909 18.011,910 194.448,911 105.94,912 134.162,913 151.349,915 0.596,916 0.352,917 0.182,918 0.096,919 18,920 9,921 0.077,922 3,923 1,924 1.125,925 3.456,926 182.758,927 0.125,928 16,929 104.042,933 16.054,934 6.355,935 3.268,936 1.207,937 134.162,938 7.114,939 12.406,943 4.253,945 83.805,946 391.45,947 33.5,956 37.676,957 41.954,958 0.329,959 0.747,960 0.878,961 0.934,962 0.944,963 0.944,964 4.781,965 1.361,966 5.68,967 3.555,968 4.29,969 4.92,970 0.623,971 6.509,972 4.146,973 6.034,974 0.836,975 7.261,976 3.516,977 4.007,978 4.913,980 7.445,981 3.768,982 7.371,983 0.231,984 8.937,985 1.959,986 5.911,987 7.238,988 0.317,989 10.544,990 5.668,991 8.743,992 -0.056,993 10.668,994 0.531,995 6.382,996 8,998 12.291,999 6.071,1000 10.142,1001 -0.126,1002 12.434,1003 -0.135,1004 7.808,1005 9.849,1006 0.149,1007 14.944,1008 7.492,1009 11.562,1010 -0.449,1011 14.225,1012 -0.321,1013 8.633,1014 10.989,1016 17.062,1017 8.275,1018 12.999,1019 -0.623,1020 16.036,1021 -1.157,1022 9.877,1023 12.642,1024 0.067,1025 19.56,1026 9.508,1027 3.212,1028 -0.808,1029 17.863,1030 -1.583,1031 10.872,1032 13.976,1034 21.847,1035 10.476,1036 2.831,1037 11.231,1038 19.704,1039 -2.065,1040 12.047,1041 15.546,1042 0.03,1043 24.289,1044 11.637,1045 2.547,1046 8.331,1047 21.557,1048 4.616,1049 13.122,1050 16.976,1052 26.65,1053 12.693,1054 2.207,1055 7.856,1056 23.42,1057 3.87,1058 14.275,1059 18.514,1060 0.013,1061 29.075,1062 13.831,1063 2.035,1064 6.407,1065 25.291,1066 3.41,1067 15.39,1068 19.991,1070 31.468,1071 14.928,1072 1.968,1073 5.895,1074 27.169,1075 2.862,1076 16.537,1077 21.517,1078 0.006,1079 33.887,1080 16.06,1081 1.414,1082 5.785,1083 29.054,1084 2.829,1085 17.672,1086 23.018,1088 36.294,1089 17.177,1090 5465,1091 10551,1092 16.126,1093 26.557,1094 37.608,1095 38.567,1096 39.251,1097 37.49,1098 37.283,1099 50.528,1100 1.315,1101 110.134,1102 34.23,1103 5.484,1104 5.325,1105 6.211,1106 5.26,1107 5.212,1108 7.616,1109 1.315,1110 18.467,1111 5.13,1112 13.4,1113 1.504,1114 1.543,1115 1.57,1116 1.5,1117 1.491,1118 2.021,1119 0.053,1120 4.405,1121 1.369,1122 4.072,1123 4.112,1124 4.12,1125 3.961,1126 5.321,1127 3.976,1128 3.902,1129 3.925,1130 4.034,1131 3.846,1132 5.046,1133 3.839,1134 3.547,1135 3.613,1136 3.518,1137 3.363,1138 4.981,1139 3.385,1140 3.219,1141 3.309,1142 3.402,1143 3.014,1144 4.807,1145 3.015,1146 3.138,1147 3.232,1148 3.316,1149 2.902,1150 4.492,1151 2.918,1152 3.023,1153 3.152,1154 3.051,1155 2.791,1156 4.384,1157 2.765,1158 2.878,1159 2.922,1160 2.9,1161 2.707,1162 4.165,1163 2.723,1164 2.805,1165 2.862,1166 2.797,1167 2.657,1168 4.021,1169 2.654,1170 0.186,1171 0.133,1172 0.273,1173 0.167,1174 0.128,1175 4.654,1176 0.185,1177 3.325,1178 0.026,1179 6.835,1180 0.449,1181 4.185,1182 0.125,1183 3.212,1184 4.616,1185 0.657,1186 11.231,1187 3.13,1188 1.998,1189 1.967,1190 2.061,1191 2.132,1192 1.228,1193 2.111,1194 1.869,1195 1.851,1196 1.928,1197 1.955,1198 1.056,1199 1.96,1200 1.478,1201 1.418,1202 1.623,1203 1.698,1204 0.732,1205 1.687,1206 1.193,1207 1.104,1208 1.526,1209 1.451,1210 0.559,1211 1.48,1212 1.042,1213 0.963,1214 1.273,1215 1.36,1216 0.203,1217 1.344,1218 0.946,1219 0.826,1220 1.254,1221 1.327,1222 0.159,1223 1.327,1224 0.868,1225 0.824,1226 1.099,1227 1.019,1228 0.006,1229 1.061,1230 0.752,1231 0.704,1232 0.926,1233 0.958,1235 0.969,1236 3.932,1238 5.273,1240 6.812,1242 8.448,1244 10.134,1246 1.95,1247 11.922,1250 11.543,1252 0.552,1253 3.276,1262 25.417,1263 63.334,1264 144.021,1265 169.24,1266 179.995,1267 181.995,1268 181.995,1269 34.338,1270 7.001,1271 102.74,1272 102.74,1273 18,1274 12.374,1275 4.17,1276 3.248,1277 36.993,1278 80,1279 77,1280 0.229,1281 166.488,1282 273.58,1283 397.99,1284 9655,1285 5.4,1286 16.56,1287 0.72,1288 0.599,1289 17.56,1290 13.781,1291 10.952,1292 0.438,1293 0.303,1294 6.79,1295 10.05,1296 6.535,1297 5.416,1298 11.53,1299 7.571,1300 10.299,1301 0.286,1302 0.163,1303 11.04,1304 5.871,1305 8.592,1306 0.183,1307 0.091,1308 9.507,1309 4.276,1310 7.068,1311 0.118,1312 0.044,1313 7.469,1314 2.613,1315 5.369,1316 0.073,1317 0.023,1318 5.749,1319 1.681,1320 0.358,1321 74.367,1322 0.249,1323 22.543,1324 0.628,1325 122,1326 364.299,1327 162.919,1328 423.456,1329 563.07,1330 392,1331 144,1332 377.204,1333 180.722,1334 405.159,1335 592.62,1336 380,1337 7.276}
{0 CHEMBL81995,1 1.581,2 10.172,3 2.935,4 8.613,5 111,6 8.336,7 0.697,8 3.976,9 4.097,10 3.638,11 3.534,12 5.213,13 3.547,14 4.431,15 4.577,16 4.031,17 3.925,18 5.666,19 3.923,20 4.71,21 4.884,22 4.167,23 4.113,24 5.883,25 4.095,26 4.78,27 4.976,28 4.088,29 4.143,30 5.904,31 4.086,32 4.83,33 5.037,34 4.016,35 4.164,36 5.889,37 4.08,38 4.806,39 5.046,40 3.934,41 4.047,42 5.855,43 3.967,44 4.661,45 4.89,46 3.847,47 3.911,48 5.74,49 3.85,50 4.483,51 4.693,52 3.776,53 3.739,54 5.697,55 3.709,56 0.095,57 0.764,58 7.633,59 3.385,60 15.805,61 3.928,62 0.205,63 1.202,64 12.889,65 5.767,66 21.775,67 7.131,68 0.349,69 1.529,70 18.924,71 7.433,72 35.805,73 9.188,74 0.376,75 1.574,76 21.669,77 8.779,78 39.703,79 11.321,80 0.324,81 1.587,82 23.651,83 9.763,84 41.099,85 12.911,86 0.396,87 1.504,88 25.91,89 9.446,90 47.09,91 12.791,92 0.297,93 1.297,94 22.122,95 8.004,96 39.238,97 10.687,98 0.315,99 1.106,100 17.692,101 6.203,102 40.721,103 8.014,104 10,105 48,106 0.265,107 0.638,108 0.774,109 0.868,110 0.897,111 0.904,112 3.409,113 0.819,114 -4.02,115 -3.97,116 -3.76,119 45.7,125 1,134 2,139 7,140 2,141 3,142 1,143 2,144 1,146 1,147 1,157 2,158 2,159 2,166 9,169 2,170 4,172 3,173 3,175 2,178 10,181 4,182 6,184 1,185 1,187 2,189 10,192 2,193 1,195 3,196 3,197 1,198 1,200 2,201 10,205 1,207 4,209 1,210 2,212 1,215 10,220 2,221 10,223 1,224 1,226 1,229 5,234 7,239 2,241 1,246 9,248 1,249 2,251 6,256 4,260 12,263 1,265 6,270 6,273 1319,274 19.756,275 19.756,276 19.756,277 19.756,278 19.756,279 16.835,280 21.87,281 11.462,282 20.174,283 16.324,284 16.324,285 16.324,286 16.324,287 16.324,288 11.907,289 30.427,290 5.483,291 17.068,292 3.943,293 1.715,294 0.905,295 0.348,296 0.174,297 0.13,298 4.123,301 1,302 1,303 659,304 2.55,307 227.962,308 62.741,311 102.822,312 200.946,314 1.282,315 25.709,318 1,319 1,320 1,321 0.4,323 1,324 1,325 0.77,326 62.5,327 295,328 4.549,329 3.416,330 6.81,331 4.17,332 3.211,333 4.491,334 0.916,335 11.276,336 3.084,337 4.487,338 3.116,339 6.501,340 4.013,341 3.07,342 4.104,343 0.172,344 10.172,345 2.894,346 4.099,347 2.787,348 6.093,349 3.683,350 2.696,351 3.732,353 8.813,354 2.661,355 3.785,356 2.622,357 5.456,358 3.388,359 2.434,360 3.24,362 7.179,363 2.32,364 3.529,365 2.385,366 5.185,367 3.129,368 2.189,369 2.85,371 6.333,372 2.052,373 3.428,374 2.192,375 5.062,376 2.978,377 2.04,378 2.811,380 5.8,381 1.917,382 3.393,383 2.087,384 4.966,385 2.927,386 1.988,387 2.701,389 5.74,390 1.86,391 3.289,392 1.99,393 4.861,394 2.838,395 1.889,396 2.509,398 5.408,399 1.778,400 2.933,401 1.482,402 4.25,403 2.464,404 1.468,405 2.118,407 3.673,408 1.462,409 2.771,410 1.369,411 3.837,412 2.33,413 1.338,414 1.885,415 3.165,416 1.326,417 2.455,418 1.06,419 3.708,420 1.925,421 1.009,422 1.435,423 2.565,424 0.923,425 2.362,426 1.009,427 3.573,428 1.868,429 0.902,430 1.234,431 2.337,432 0.869,433 2.138,434 0.646,435 3.201,436 1.582,437 0.597,438 0.891,439 1.462,440 0.587,441 1.491,442 0.353,443 2.925,444 1.069,445 0.142,446 0.184,448 0.361,449 0.131,450 1.211,451 0.111,452 2.695,453 0.88,454 -0.082,455 -0.101,457 -0.206,458 -0.078,459 13.633,460 0.47,461 0.763,462 0.026,463 45.5,464 1.569,465 25.5,466 0.879,467 20,468 0.69,469 19.288,470 0.665,471 28.967,472 0.63,473 34.863,474 1.202,475 8.99,476 0.31,477 5.09,478 0.176,479 0.083,481 0.396,485 1.087,486 1.18,487 0.736,488 0.843,489 1.17,490 0.747,491 0.666,492 1.054,493 0.711,494 0.961,495 0.501,496 0.865,497 0.992,498 1.011,499 0.935,500 0.952,501 0.861,502 0.937,503 0.767,504 0.891,505 1.018,506 1.041,507 0.626,508 1.067,509 0.723,510 1.038,511 1.081,512 1.172,513 0.759,514 1.187,515 0.855,516 0.858,517 0.976,518 0.969,519 0.88,520 0.987,521 1.032,522 1.015,523 0.93,524 0.976,525 0.952,526 0.946,527 1.187,528 1.03,529 0.934,530 0.954,531 1.219,532 0.915,533 6,534 0.223,535 3.333,536 2.25,537 2.278,538 0.826,539 0.579,540 0.546,541 0.444,542 0.207,543 10353,544 29326,545 2.171,546 37,548 11,550 1,551 5,555 1.725,556 2.047,557 3.262,558 2.46,559 1,560 1,564 72.707,565 1.581,566 3.809,567 4.618,568 5.176,569 5.35,570 5.393,571 2.598,572 4.72,573 4.832,574 3.416,575 1386.89,576 8.445,577 17936.2,579 1,581 1,582 254.084,583 1.361,584 4.797,585 0.182,586 0.012,587 0.069,588 0.042,589 0.046,590 0.018,591 0.014,592 0.014,593 0.013,594 0.007,595 0.418,596 0.33,597 0.88,598 0.506,599 144.105,600 -0.204,601 -0.062,602 0.006,603 0.085,604 -0.283,605 0.084,606 0.151,607 0.039,608 0.082,609 -0.023,610 0.151,611 0.004,612 -0.033,613 0.055,614 -0.07,615 -0.018,616 -0.063,617 -0.048,618 0.052,619 0.117,620 -0.109,621 -0.063,622 0.084,623 -0.108,624 0.008,625 -0.086,626 -0.144,627 -0.155,628 -0.037,629 -0.173,630 0.016,631 0.07,632 0.051,633 0.047,634 -0.049,635 0.055,636 -0.08,637 -0.089,638 0.091,639 0.037,640 -0.034,641 0.085,642 -0.025,643 -0.062,644 0.066,645 0.02,646 0.014,647 0.053,648 1.599,649 3.932,650 0.862,651 22.43,652 1.01,653 1.126,654 2.786,655 7.764,656 0.702,657 3.526,658 3.892,659 4.205,660 4.533,661 4.836,662 4.97,663 5.124,664 5.308,665 5.493,666 5.58,667 5.947,668 0.685,669 383.45,670 3.526,671 5.094,672 5.969,673 6.872,674 7.763,675 8.67,676 9.568,677 10.476,678 11.376,679 12.284,680 15.2,684 2,688 1,690 4,694 2,695 8,696 4,700 8,702 23,711 2,714 1,715 1,718 46,719 24,720 2,721 33,723 50,724 21,725 18,726 5,727 7,728 2,729 5,730 9,741 20,742 1,744 1,749 2,754 1,757 17,758 8,759 5,760 8,764 7,769 0.4,770 1,774 1,776 1,781 4,782 1,785 1,786 2,795 2,802 2,810 29,811 2,815 1,816 1,821 1,829 2.2,831 1,836 14.167,837 8.2,838 6.167,839 2.514,840 5.224,841 1.625,842 1.046,843 4.126,844 13.582,845 3.839,846 4.516,847 5.162,848 5.801,849 6.428,850 6.754,851 7.189,852 7.646,853 8.134,854 8.446,855 0.857,856 54,857 10.634,859 4.649,860 7.782,861 20.058,863 16.764,865 2.282,866 66.167,869 1,870 141.253,871 119.167,872 136.061,874 42.683,877 119.167,878 183.937,879 136.061,881 2.106,882 151.081,883 121.597,884 30.673,885 4.227,886 129.482,888 141.253,889 255.228,890 42.683,893 142.969,894 42.683,897 21.077,898 146.341,899 86.095,901 141.253,902 178.744,903 119.167,906 141.253,907 24.834,908 97.458,910 175.62,911 141.253,912 178.744,913 119.167,915 0.591,916 0.349,917 0.201,918 0.117,919 26,920 11,921 0.04,922 2,923 3,924 1.24,925 3.947,926 279.566,927 0.24,928 25,929 140.881,933 17.558,934 6.815,935 3.165,936 0.783,937 178.744,938 15.053,939 17.046,943 5.131,945 108.478,946 439.165,947 45.5,952 4.031,956 46.458,957 51.774,958 0.286,959 0.69,960 0.836,961 0.937,962 0.969,963 0.976,964 5.086,965 1.889,966 5.969,967 5.74,968 4.575,969 5.204,970 0.918,971 6.815,972 4.487,973 6.324,974 1.468,975 7.545,976 5.408,977 4.205,978 5.047,979 0.325,980 7.751,981 4.058,982 7.648,983 1.338,984 9.219,985 3.673,986 6.201,987 7.478,988 0.671,989 10.885,990 6.027,991 9.006,992 1.009,993 10.95,994 3.165,995 6.621,996 8.119,997 0.393,998 12.652,999 6.39,1000 10.393,1001 0.902,1002 12.719,1003 2.565,1004 8.102,1005 10.024,1006 0.533,1007 15.308,1008 7.843,1009 11.802,1010 0.597,1011 14.515,1012 2.337,1013 8.903,1014 11.068,1015 0.384,1016 17.432,1017 8.588,1018 13.227,1019 0.142,1020 16.331,1021 1.462,1022 10.175,1023 12.74,1024 0.438,1025 19.919,1026 9.829,1027 3.211,1028 -0.082,1029 18.163,1030 0.361,1031 11.16,1032 13.996,1033 0.351,1034 22.198,1035 10.761,1036 3.07,1037 11.276,1038 20.007,1039 -0.206,1040 12.348,1041 15.559,1042 0.366,1043 24.625,1044 11.913,1045 2.696,1046 10.172,1047 21.86,1048 4.491,1049 13.419,1050 16.925,1051 0.312,1052 26.972,1053 12.934,1054 2.434,1055 8.813,1056 23.723,1057 4.104,1058 14.577,1059 18.44,1060 0.309,1061 29.38,1062 14.051,1063 2.189,1064 7.179,1065 25.591,1066 3.732,1067 15.689,1068 19.863,1069 0.273,1070 31.757,1071 15.115,1072 2.04,1073 6.333,1074 27.466,1075 3.24,1076 16.837,1077 21.357,1078 0.262,1079 34.16,1080 16.22,1081 1.988,1082 5.8,1083 29.345,1084 2.85,1085 17.968,1086 22.81,1087 0.236,1088 36.553,1089 17.305,1090 9584,1091 16282,1092 22.482,1093 32.301,1094 50.81,1095 50.033,1096 51.399,1097 50.001,1098 49.948,1099 68.369,1100 2.178,1101 148.568,1102 47.73,1103 5.398,1104 5.416,1105 6.493,1106 5.252,1107 5.211,1108 7.491,1109 1.605,1110 18.644,1111 5.084,1112 12.259,1113 1.54,1114 1.516,1115 1.558,1116 1.515,1117 1.514,1118 2.072,1119 0.066,1120 4.502,1121 1.446,1122 4.081,1123 4.12,1124 4.049,1125 3.991,1126 6.471,1127 3.997,1128 3.984,1129 4.024,1130 3.959,1131 3.832,1132 5.342,1133 3.864,1134 3.793,1135 3.816,1136 3.733,1137 3.737,1138 4.989,1139 3.733,1140 3.513,1141 3.581,1142 3.448,1143 3.327,1144 4.877,1145 3.348,1146 3.314,1147 3.357,1148 3.208,1149 3.226,1150 4.811,1151 3.216,1152 3.166,1153 3.245,1154 3.085,1155 2.937,1156 4.549,1157 2.965,1158 3.1,1159 3.218,1160 2.992,1161 2.78,1162 4.227,1163 2.822,1164 2.859,1165 2.922,1166 2.744,1167 2.711,1168 4.128,1169 2.694,1170 0.138,1171 0.104,1172 0.206,1173 0.126,1174 0.097,1175 4.549,1176 0.136,1177 3.416,1178 0.028,1179 6.81,1180 0.342,1181 4.17,1182 0.093,1183 3.211,1184 4.491,1185 0.916,1186 11.276,1187 3.084,1188 1.946,1189 1.911,1190 2.027,1191 2.117,1192 1.172,1193 2.082,1194 1.908,1195 1.888,1196 2.002,1197 2.002,1198 1.116,1199 1.996,1200 1.879,1201 1.843,1202 1.931,1203 1.975,1204 0.969,1205 1.985,1206 1.44,1207 1.381,1208 1.596,1209 1.662,1210 0.711,1211 1.647,1212 1.324,1213 1.284,1214 1.519,1215 1.452,1216 0.562,1217 1.476,1218 1.084,1219 1.017,1220 1.288,1221 1.383,1222 0.243,1223 1.366,1224 0.981,1225 0.874,1226 1.254,1227 1.354,1228 0.178,1229 1.333,1230 0.843,1231 0.783,1232 1.123,1233 1.071,1234 0.124,1235 1.075,1236 4.205,1238 5.557,1240 7.106,1241 2.708,1242 8.748,1243 5.38,1244 10.439,1250 11.611,1251 9.932,1252 0.448,1257 2.133,1262 31.499,1263 72.707,1264 175.213,1265 212.432,1266 238.084,1267 246.084,1268 248.084,1269 38.243,1270 8.358,1271 128.76,1272 128.76,1273 31,1274 12.802,1275 4.644,1276 3.755,1277 39.374,1278 101,1279 114,1280 0.187,1281 191.67,1282 320.57,1283 459.435,1284 55049,1286 19.957,1287 0.688,1288 0.528,1289 19.957,1290 15.319,1291 14.081,1292 0.427,1293 0.273,1294 8.885,1295 13.595,1296 8.725,1297 7.207,1298 14.081,1299 9.006,1300 13.184,1301 0.275,1302 0.14,1303 13.184,1304 6.722,1305 11.252,1306 0.17,1307 0.073,1308 11.252,1309 4.793,1310 10.042,1311 0.109,1312 0.038,1313 10.042,1314 3.496,1315 8.668,1316 0.069,1317 0.02,1318 8.668,1319 2.501,1320 0.285,1321 87.854,1322 0.211,1323 26.873,1324 0.538,1325 162,1326 451,1327 177.065,1328 450.955,1329 635.28,1330 422,1331 195,1332 493.157,1333 210.483,1334 502.209,1335 739.14,1336 474,1337 7.387}
{0 CHEMBL82208,1 1.642,2 8.625,3 2.604,4 6.779,5 96.031,6 7.464,7 0.462,8 3.894,9 4.036,10 3.45,11 3.362,12 5.067,13 3.356,14 4.418,15 4.608,16 3.817,17 3.77,18 5.648,19 3.736,20 4.656,21 4.887,22 3.874,23 3.909,24 5.689,25 3.857,26 4.679,27 4.878,28 3.97,29 3.948,30 5.878,31 3.907,32 4.798,33 5.006,34 3.908,35 3.974,36 5.986,37 3.918,38 4.875,39 5.14,40 3.7,41 3.82,42 6.007,43 3.728,44 4.57,45 4.836,46 3.544,47 3.472,48 5.921,49 3.411,50 4.204,51 4.412,52 3.315,53 3.272,54 5.447,55 3.252,56 0.164,57 0.704,58 9.27,59 3.374,60 14.457,61 4.95,62 0.322,63 1.079,64 17.118,65 6.208,66 52.057,67 8.98,68 0.313,69 1.262,70 23.02,71 7.181,72 32.437,73 11.102,74 0.372,75 1.304,76 22.877,77 7.653,78 42.749,79 11.323,80 0.387,81 1.377,82 26.163,83 7.554,84 58.887,85 11.59,86 0.666,87 1.197,88 32.069,89 8.337,90 97.902,91 12.813,92 0.76,93 0.847,94 24.289,95 5.934,96 112.605,97 9.253,98 0.352,99 0.686,100 15.374,101 3.781,102 50.088,103 5.638,104 30,105 37,106 0.285,107 0.634,108 0.785,109 0.819,110 0.819,111 0.819,112 3.229,113 0.919,114 -4.35,115 -4.28,116 -4.04,119 36.4,120 1,121 3,125 2,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 6,169 2,170 7,172 3,173 3,175 1,178 5,180 1,181 1,182 9,187 1,189 4,191 1,192 2,193 12,195 1,196 1,197 1,198 5,200 2,201 5,204 5,205 1,207 10,212 4,215 7,218 4,220 2,221 5,223 1,224 1,226 2,229 3,231 2,233 6,234 4,236 3,237 3,239 1,241 2,243 1,246 3,248 1,249 1,260 4,262 3,263 3,265 2,268 2,270 2,273 742,274 16.008,275 16.008,276 16.008,277 16.008,278 16.008,279 14.238,280 22.55,281 9.285,282 16.346,283 12.755,284 12.755,285 12.755,286 12.755,287 12.755,288 10.011,289 29.056,290 4.273,291 13.312,292 3.817,293 1.809,294 0.943,295 0.744,296 0.744,297 0.744,298 3.903,300 1,301 1,302 1,303 437,304 2.828,306 67.112,307 157.24,314 1.271,315 30.025,317 1,318 1,319 1,320 1,321 0.8,322 0.5,323 1,324 1,325 0.9,326 53,327 207,328 4.57,329 3.816,330 6.791,331 4.18,332 3.206,333 4.306,334 2.612,335 11.156,336 3.128,337 4.378,338 3.236,339 6.614,340 3.981,341 3.025,342 4.042,343 0.8,344 10.509,345 2.892,346 3.729,347 3.086,348 5.613,349 3.382,350 2.439,351 3.179,353 7.284,354 2.296,355 3.684,356 2.451,357 5.311,358 3.215,359 2.273,360 2.975,362 6.583,363 2.141,364 3.306,365 2.234,366 5.038,367 2.936,368 1.988,369 2.553,371 5.703,372 1.88,373 3.235,374 2.118,375 4.774,376 2.789,377 1.831,378 2.457,380 5.01,381 1.75,382 2.9,383 1.768,384 4.416,385 2.593,386 1.615,387 1.962,389 4.138,390 1.575,391 2.604,392 1.347,393 3.622,394 2,395 1,396 1.594,398 2.425,399 1,400 2.019,401 1.01,402 3.385,403 1.878,404 0.907,405 0.983,407 2.114,408 0.879,409 1.693,410 1,411 3.234,412 1.591,413 0.618,414 0.618,415 1.372,416 0.6,417 1.618,418 0.744,419 3,420 1.51,421 0.528,422 0.595,423 0.993,424 0.518,425 1.302,426 0.637,427 2.747,428 0.988,429 0.041,430 0.049,431 0.091,432 0.039,433 1,434 0.146,435 2.476,436 0.493,437 -0.461,438 -0.58,439 -1.14,440 -0.431,441 0.894,442 -0.217,443 2.359,444 0.434,445 -0.488,446 -0.608,448 -1.262,449 -0.458,450 0.822,451 -0.305,452 2.251,453 0.166,454 -0.814,455 -1.005,457 -2,458 -0.792,459 11.067,460 0.461,461 0.665,462 0.028,463 32.5,464 1.354,465 16.5,466 0.688,467 16,468 0.667,469 18.621,470 0.776,471 26.733,472 0.608,473 24.329,474 1.014,475 6.022,476 0.251,477 5.485,478 0.229,479 0.178,481 0.389,485 0.604,486 1.338,487 0.794,488 1.05,489 0.664,490 0.961,491 0.473,492 1.079,493 0.73,494 1.03,495 0.298,496 0.941,497 0.755,498 1.059,499 0.831,500 0.951,501 0.506,502 0.896,503 0.763,504 1.226,505 0.865,506 1.153,507 0.777,508 1.05,509 1.204,510 1.31,511 1.237,512 1.311,513 1.13,514 1.269,515 1.355,516 0.893,517 1.088,518 0.982,519 1.553,520 0.995,521 1.12,522 0.69,523 0.864,524 0.742,525 1.408,526 0.777,527 1.845,528 1.141,529 1.228,530 1.02,531 1.951,532 1.026,533 5,534 0.058,535 2.889,536 2.34,537 1.618,538 1.087,539 0.825,540 0.39,541 0.217,542 0.11,543 5511,544 15529,545 2.015,546 45.5,547 3,548 7,551 4,552 2,553 4,555 1.675,556 1.846,557 3.091,558 1.86,559 1,560 1,562 1,564 72.267,565 1.642,566 3.65,567 4.516,568 4.715,569 4.715,570 4.715,571 2.505,572 4.252,573 4.557,574 3.226,575 890.437,576 7.898,577 10133.1,579 1,581 1,582 240.215,583 1.528,584 4.493,585 0.192,586 0.01,587 0.078,588 0.06,589 0.039,590 0.029,591 0.029,592 0.016,593 0.011,594 0.007,595 0.472,597 1,598 0.961,599 111.665,600 0.114,601 -0.022,602 0.037,603 0.069,604 -0.056,605 0.042,606 0.251,607 0.085,608 0.151,609 0.061,610 0.302,611 0.08,612 -0.042,613 0.019,614 0.087,615 0.081,616 0.037,617 0.113,618 0.089,619 -0.122,620 0.045,621 -0.091,622 0.049,623 -0.044,624 -0.237,625 -0.213,626 -0.306,627 -0.313,628 -0.163,629 -0.312,630 -0.139,631 -0.029,632 -0.052,633 -0.051,634 -0.207,635 -0.039,636 0.29,637 0.136,638 0.216,639 0.152,640 0.168,641 0.155,642 -0.351,643 -0.154,644 -0.206,645 -0.087,646 -0.281,647 -0.12,648 2.35,649 4.552,650 0.708,651 18.174,652 1.01,653 1.144,654 3.116,655 9.712,656 0.643,657 3.296,658 3.638,659 3.932,660 4.234,661 4.394,662 4.489,663 4.595,664 4.644,665 4.682,666 4.615,667 5.262,668 0.619,669 328.42,670 3.296,671 4.844,672 5.707,673 6.605,674 7.488,675 8.391,676 9.281,677 10.184,678 11.077,679 11.981,680 13.6,684 2,686 1,690 2,691 1,695 3,696 2,700 7,702 12,711 2,713 1,714 1,718 44,719 14,720 1,721 26,723 46,724 16,725 10,726 3,727 3,729 3,730 3,734 1,736 2,739 3,741 10,742 6,744 2,746 1,748 2,753 1,754 1,757 20,758 7,759 4,760 8,764 6,769 1,770 2,776 1,778 1,780 1,781 2,802 3,806 1,810 24,811 2,816 5,821 1,829 4.5,835 2,836 13,837 8.05,838 5.333,839 2.803,840 2.45,841 1.354,842 0.981,843 4.648,844 9.372,845 3.555,846 4.174,847 4.741,848 5.342,849 5.871,850 6.191,851 6.583,852 6.885,853 7.228,854 7.415,855 0.833,856 39,857 8.869,859 3.809,860 7.965,861 16.658,863 13.649,865 2.465,866 59.167,869 1,870 188.338,871 67.937,872 108.16,874 50.747,877 67.937,878 239.085,879 108.16,880 14.495,881 11.815,882 94.223,883 33.571,884 17.766,885 4.227,886 188.338,887 50.747,888 188.338,889 176.097,890 50.747,893 141.253,894 47.084,895 50.747,897 25.296,898 111.56,899 39.241,901 188.338,902 158.907,903 67.937,906 188.338,907 30.683,908 46.048,910 150.112,911 188.338,912 158.907,913 67.937,915 0.583,916 0.352,917 0.204,918 0.106,919 18,920 9,921 0.087,922 4,924 1,925 3.43,926 200.444,928 17,929 104.039,933 16.618,934 6.713,935 3.214,937 153.237,938 5.178,939 8.207,943 3.005,945 65.794,946 415.182,947 34,949 -0.35,951 23.104,956 44.451,957 50.315,958 0.301,959 0.669,960 0.827,961 0.864,962 0.864,963 0.864,964 4.804,965 1,966 5.714,967 4.138,968 4.317,969 4.86,970 2.577,971 6.569,972 4.237,973 6.027,974 0.907,975 7.303,976 2.425,977 4.007,978 4.832,979 2.396,980 7.579,981 3.876,982 7.356,983 0.618,984 8.995,985 2.114,986 5.948,987 7.09,988 4.162,989 10.705,990 5.79,991 8.722,992 0.528,993 10.746,994 1.372,995 6.447,996 7.848,997 4.51,998 12.543,999 6.25,1000 10.119,1001 0.041,1002 12.535,1003 0.993,1004 7.88,1005 9.626,1006 5.949,1007 15.195,1008 7.657,1009 11.537,1010 -0.461,1011 14.351,1012 0.091,1013 8.74,1014 10.735,1015 6.556,1016 17.367,1017 8.485,1018 12.972,1019 -0.488,1020 16.187,1021 -1.14,1022 9.986,1023 12.327,1024 7.794,1025 19.855,1026 9.707,1027 3.206,1028 -0.814,1029 18.037,1030 -1.262,1031 11.007,1032 13.604,1033 8.548,1034 22.16,1035 10.7,1036 3.025,1037 11.156,1038 19.898,1039 -2,1040 12.185,1041 15.115,1042 9.67,1043 24.589,1044 11.853,1045 2.439,1046 10.509,1047 21.769,1048 4.306,1049 13.277,1050 16.475,1051 10.509,1052 26.947,1053 12.919,1054 2.273,1055 7.284,1056 23.646,1057 4.042,1058 14.432,1059 17.949,1060 11.563,1061 29.353,1062 14.049,1063 1.988,1064 6.583,1065 25.529,1066 3.179,1067 15.554,1068 19.35,1069 12.452,1070 31.733,1071 15.146,1072 1.831,1073 5.703,1074 27.417,1075 2.975,1076 16.703,1077 20.808,1078 13.468,1079 34.132,1080 16.269,1081 1.615,1082 5.01,1083 29.308,1084 2.553,1085 17.839,1086 22.23,1087 14.386,1088 36.521,1089 17.381,1090 5480,1091 9351,1092 16.819,1093 28.273,1094 38.702,1095 40.355,1096 40.983,1097 39.012,1098 38.943,1099 50.626,1100 6.825,1101 114.758,1102 37.394,1103 5.471,1104 5.816,1105 6.387,1106 5.251,1107 5.206,1108 7.306,1109 4.612,1110 18.201,1111 5.128,1112 13.483,1113 1.489,1114 1.552,1115 1.576,1116 1.5,1117 1.498,1118 1.947,1119 0.262,1120 4.414,1121 1.438,1122 4.069,1123 4.102,1124 4.036,1125 3.957,1126 7.815,1127 3.968,1128 3.857,1129 3.914,1130 3.816,1131 3.69,1132 6.999,1133 3.707,1134 3.733,1135 3.787,1136 3.625,1137 3.553,1138 5.285,1139 3.556,1140 3.452,1141 3.493,1142 3.403,1143 3.194,1144 4.98,1145 3.19,1146 3.389,1147 3.47,1148 3.204,1149 3.031,1150 4.684,1151 3.124,1152 3.09,1153 3.204,1154 2.97,1155 2.838,1156 4.417,1157 2.86,1158 2.886,1159 2.982,1160 2.736,1161 2.671,1162 4.226,1163 2.64,1164 2.869,1165 2.979,1166 2.583,1167 2.617,1168 3.965,1169 2.635,1170 0.176,1171 0.147,1172 0.261,1173 0.161,1174 0.123,1175 4.57,1176 0.166,1177 3.816,1178 0.1,1179 6.791,1180 0.429,1181 4.18,1182 0.12,1183 3.206,1184 4.306,1185 2.612,1186 11.156,1187 3.128,1188 1.98,1189 1.955,1190 2.049,1191 2.12,1192 1.22,1193 2.09,1194 1.74,1195 1.695,1196 1.882,1197 1.961,1198 1.211,1199 1.921,1200 1.577,1201 1.507,1202 1.86,1203 1.751,1204 1.069,1205 1.793,1206 1.4,1207 1.318,1208 1.662,1209 1.69,1210 0.898,1211 1.662,1212 1.348,1213 1.267,1214 1.583,1215 1.637,1216 0.591,1217 1.631,1218 1.186,1219 1.152,1220 1.285,1221 1.554,1222 0.213,1223 1.516,1224 0.975,1225 0.88,1226 1.256,1227 1.359,1228 0.133,1229 1.344,1230 0.788,1231 0.69,1232 1.121,1233 1.086,1234 0.094,1235 1.107,1236 3.97,1238 5.303,1239 2.398,1240 6.834,1241 4.443,1242 8.465,1243 6.293,1244 10.151,1246 1.928,1250 11.655,1252 4.393,1257 2.047,1262 27.246,1263 72.267,1264 160.599,1265 198.705,1266 207.46,1267 207.46,1268 207.46,1269 47.494,1270 6.922,1271 126.88,1272 126.88,1273 17,1274 12.503,1275 3.907,1276 3.17,1277 38.998,1278 76,1279 68,1280 0.26,1281 170.334,1282 291.58,1283 407.375,1284 7759,1286 17.267,1287 0.719,1288 0.564,1289 17.267,1290 13.528,1291 11.507,1292 0.443,1293 0.306,1294 7.844,1295 10.959,1296 7.687,1297 6.383,1298 11.507,1299 7.965,1300 10.489,1301 0.283,1302 0.157,1303 10.489,1304 5.797,1305 8.607,1306 0.172,1307 0.085,1308 8.607,1309 4.272,1310 7.665,1311 0.113,1312 0.047,1313 7.665,1314 3.167,1315 5.681,1316 0.071,1317 0.023,1318 5.681,1319 1.866,1320 0.393,1321 72.911,1322 0.244,1323 22.865,1324 0.762,1325 126,1326 390.676,1327 140.974,1328 379.875,1329 514.97,1330 350,1331 150,1332 392.506,1333 164.673,1334 390.499,1335 569.78,1336 367,1337 5.77}
{0 CHEMBL82464,1 1.626,2 10.074,3 3.373,4 11.375,5 108.868,6 7.754,7 0.621,8 3.953,9 4.088,10 3.537,11 3.469,12 5.188,13 3.461,14 4.417,15 4.584,16 3.876,17 3.841,18 5.72,19 3.809,20 4.65,21 4.853,22 3.96,23 3.974,24 5.765,25 3.931,26 4.737,27 4.936,28 3.988,29 3.989,30 5.974,31 3.941,32 4.825,33 5.05,34 3.879,35 3.997,36 5.973,37 3.929,38 4.809,39 5.062,40 3.818,41 3.95,42 5.89,43 3.86,44 4.711,45 4.958,46 3.842,47 3.848,48 5.848,49 3.791,50 4.651,51 4.869,52 3.818,53 3.721,54 6.1,55 3.697,56 0.171,57 0.742,58 9.084,59 3.64,60 14.596,61 4.921,62 0.285,63 1.111,64 15.679,65 6.544,66 50.728,67 8.825,68 0.245,69 1.337,70 21.148,71 7.561,72 31.057,73 10.755,74 0.389,75 1.404,76 23.353,77 8.045,78 49.941,79 11.344,80 0.482,81 1.454,82 27.184,83 8.098,84 79.159,85 11.59,86 0.466,87 1.378,88 28.109,89 9.016,90 70.251,91 13.103,92 0.367,93 1.25,94 25.185,95 8.033,96 45.044,97 11.679,98 0.677,99 1.118,100 23.722,101 6.524,102 100.961,103 9.189,104 30,105 40,106 0.275,107 0.619,108 0.762,109 0.848,110 0.858,111 0.858,112 3.34,113 0.877,114 -4.83,115 -4.74,116 -4.45,119 40.4,120 1,121 1,125 1,139 8,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 11,169 2,170 4,172 3,173 3,175 3,178 11,180 1,182 7,185 1,187 5,189 7,191 1,193 10,195 1,196 3,197 1,198 9,200 2,201 4,204 5,205 1,207 7,212 5,215 7,218 4,221 6,224 2,225 1,226 3,228 1,229 9,231 2,233 2,234 7,236 1,237 1,239 2,241 9,243 1,245 4,246 10,248 2,249 2,250 1,251 1,253 1,254 7,256 1,260 8,262 1,263 1,265 2,268 5,270 2,273 1129,274 18.077,275 18.077,276 18.077,277 18.077,278 18.077,279 15.531,280 22.584,281 10.668,282 18.363,283 14.244,284 14.244,285 14.244,286 14.244,287 14.244,288 10.429,289 31.369,290 4.959,291 14.711,292 3.929,293 1.899,294 1.053,295 0.543,296 0.484,297 0.484,298 4.019,300 1,301 1,302 1,303 571,304 3.162,307 274.761,314 1.416,315 30.969,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 59,327 272,328 4.552,329 3.804,330 6.774,331 4.16,332 3.182,333 4.288,334 2.612,335 11.092,336 3.113,337 4.346,338 3.238,339 6.403,340 3.896,341 2.932,342 4.032,343 0.657,344 9.751,345 2.824,346 3.896,347 2.842,348 5.365,349 3.506,350 2.512,351 3.444,353 6.975,354 2.497,355 3.746,356 2.626,357 5.34,358 3.258,359 2.315,360 3.229,362 6.783,363 2.184,364 3.439,365 2.316,366 5.038,367 2.945,368 1.995,369 2.759,371 5.71,372 1.887,373 3.297,374 2.219,375 4.927,376 2.891,377 1.942,378 2.546,380 5.41,381 1.841,382 3.081,383 1.852,384 4.678,385 2.675,386 1.717,387 2.28,389 4.713,390 1.64,391 2.909,392 1.646,393 3.722,394 2.461,395 1.466,396 2.072,398 3.131,399 1.458,400 2.714,401 1.447,402 3.623,403 2.142,404 1.147,405 1.764,407 2.731,408 1.141,409 2.5,410 1,411 3.302,412 2,413 1,414 1.5,415 2.136,416 1,417 1.855,418 1,419 3.247,420 1.569,421 0.615,422 0.737,423 1.442,424 0.585,425 1.719,426 0.806,427 3.121,428 1.52,429 0.536,430 0.612,431 1.002,432 0.527,433 1.325,434 0.671,435 2.744,436 0.994,437 0.044,438 0.054,439 0.095,440 0.041,441 1.016,442 0.193,443 2.445,444 0.651,445 -0.32,446 -0.404,448 -0.817,449 -0.309,450 1,451 -0.056,452 2.413,453 0.439,454 -0.478,455 -0.587,457 -1.148,458 -0.437,459 12.567,460 0.465,461 0.682,462 0.025,463 39.75,464 1.472,465 22.5,466 0.833,467 17.25,468 0.639,469 18.772,470 0.695,471 28.833,472 0.613,473 30.974,474 1.147,475 7.861,476 0.291,477 5.129,478 0.19,479 0.156,481 0.35,485 0.626,486 1.123,487 0.781,488 0.9,489 0.705,490 0.861,491 0.43,492 1.039,493 0.736,494 1.037,495 0.352,496 0.96,497 0.751,498 1.167,499 0.857,500 1.046,501 0.574,502 0.972,503 0.862,504 1.247,505 1.003,506 1.2,507 0.778,508 1.139,509 1.307,510 1.075,511 1.232,512 1.037,513 1.243,514 1.096,515 0.899,516 0.913,517 0.969,518 0.964,519 0.935,520 0.976,521 0.859,522 0.965,523 0.813,524 0.98,525 0.818,526 0.897,527 1.332,528 0.887,529 1.066,530 0.941,531 1.397,532 0.954,533 5.5,534 0.083,535 2.889,536 2.375,537 1.649,538 1.063,539 0.691,540 0.549,541 0.403,542 0.202,543 8019,544 24050,545 2.014,546 42.6,547 3,548 10,551 5,552 2,555 1.706,556 1.862,557 3.286,558 2.547,559 1,560 1,564 76.407,565 1.626,566 3.655,567 4.501,568 5.012,569 5.07,570 5.07,571 2.713,572 4.357,573 4.725,574 3.443,575 1208.65,576 8.235,577 15431.5,579 1,581 1,582 261.066,583 1.487,584 4.672,585 0.19,586 0.005,587 0.072,588 0.055,589 0.039,590 0.029,591 0.02,592 0.015,593 0.012,594 0.008,595 0.446,597 1,598 0.905,599 132.638,600 0.096,601 0.109,602 0.016,603 0.134,604 -0.099,605 0.075,606 0.281,607 0.08,608 0.113,609 0.017,610 0.277,611 0.027,612 -0.031,613 -0.095,614 0.04,615 -0.035,616 -0.001,617 0.011,618 0.048,619 -0.192,620 -0.082,621 -0.212,622 0.068,623 -0.181,624 -0.285,625 -0.053,626 -0.265,627 -0.089,628 -0.231,629 -0.154,630 -0.022,631 0.032,632 0.024,633 0.018,634 -0.083,635 0.027,636 0.065,637 -0.014,638 0.185,639 -0.004,640 0.049,641 0.099,642 0.135,643 0.089,644 -0.028,645 -0.028,646 0.172,647 -0.049,648 2.416,649 4.415,650 0.667,651 23.97,652 1.01,653 1.134,654 3.597,655 12.935,656 0.665,657 3.401,658 3.714,659 3.97,660 4.234,661 4.419,662 4.477,663 4.585,664 4.673,665 4.682,666 4.7,667 6.064,668 0.644,669 364.45,670 3.401,671 4.934,672 5.778,673 6.655,674 7.517,675 8.402,676 9.271,677 10.16,678 11.035,679 11.926,680 12.8,684 2,685 1,690 2,691 1,695 8,696 2,700 8,702 18,711 2,712 1,713 1,718 47,719 20,720 2,721 29,723 49,724 19,725 16,726 4,727 8,729 3,730 3,734 1,739 1,741 16,742 3,744 2,746 1,748 2,754 1,757 20,758 7,759 5,760 8,764 6,769 1,770 2,776 1,781 3,802 3,806 1,810 27,811 2,816 2,817 1,829 4.3,835 2,836 14.5,837 8.517,838 6.056,839 2.726,840 3.266,841 1.457,842 0.988,843 5.647,844 10.413,845 3.714,846 4.337,847 4.892,848 5.471,849 5.984,850 6.228,851 6.614,852 6.986,853 7.277,854 7.628,855 0.857,856 43,857 9.925,859 4.191,860 7.975,861 18.444,863 14.681,865 2.475,866 66.833,869 1,870 176.567,871 111.329,872 123.046,874 50.747,877 111.329,878 227.313,879 123.046,880 14.495,881 4.64,882 141.604,883 51.582,884 17.827,885 4.227,886 176.567,887 50.747,888 176.567,889 234.376,890 50.747,893 176.567,895 50.747,897 18.121,898 159.002,899 57.252,901 176.567,902 173.793,903 111.329,906 176.567,907 26.694,908 90.305,909 18.011,910 150.112,911 176.567,912 173.793,913 111.329,915 0.577,916 0.339,917 0.189,918 0.1,919 18,920 9,921 0.122,922 6,924 1,925 3.756,926 228.11,928 18,929 122.382,933 18.768,934 8.123,935 4.219,937 168.123,938 14.458,939 8.271,943 3.807,945 83.805,946 461.689,947 40,949 -0.416,951 22.83,956 47.451,957 53.315,958 0.293,959 0.658,960 0.81,961 0.902,962 0.913,963 0.913,964 4.931,965 1.466,966 5.765,967 4.713,968 4.394,969 5.024,970 2.57,971 6.578,972 4.333,973 6.154,974 1.147,975 7.327,976 3.131,977 4.007,978 4.89,979 2.361,980 7.513,981 3.909,982 7.47,983 1,984 8.991,985 2.731,986 5.984,987 7.25,988 4.16,989 10.616,990 5.865,991 8.823,992 0.615,993 10.716,994 2.136,995 6.399,996 7.898,997 4.506,998 12.398,999 6.249,1000 10.204,1001 0.536,1002 12.481,1003 1.442,1004 7.864,1005 9.751,1006 5.948,1007 15.03,1008 7.695,1009 11.607,1010 0.044,1011 14.274,1012 1.002,1013 8.658,1014 10.774,1015 6.556,1016 17.168,1017 8.462,1018 13.028,1019 -0.32,1020 16.089,1021 0.095,1022 9.918,1023 12.41,1024 7.794,1025 19.639,1026 9.703,1027 3.182,1028 -0.478,1029 17.92,1030 -0.817,1031 10.894,1032 13.626,1033 8.548,1034 21.923,1035 10.654,1036 2.932,1037 11.092,1038 19.764,1039 -1.148,1040 12.072,1041 15.159,1042 9.67,1043 24.338,1044 11.811,1045 2.512,1046 9.751,1047 21.619,1048 4.288,1049 13.135,1050 16.478,1051 10.509,1052 26.684,1053 12.849,1054 2.315,1055 6.975,1056 23.483,1057 4.032,1058 14.283,1059 17.961,1060 11.563,1061 29.08,1062 13.976,1063 1.995,1064 6.783,1065 25.353,1066 3.444,1067 15.386,1068 19.335,1069 12.452,1070 31.452,1071 15.055,1072 1.942,1073 5.71,1074 27.23,1075 3.229,1076 16.525,1077 20.794,1078 13.468,1079 33.844,1080 16.173,1081 1.717,1082 5.41,1083 29.11,1084 2.759,1085 17.648,1086 22.198,1087 14.386,1088 36.228,1089 17.272,1090 7926,1091 13885,1092 18.898,1093 31.273,1094 43.006,1095 44.336,1096 44.877,1097 42.842,1098 42.807,1099 58.636,1100 6.539,1101 121.939,1102 41.478,1103 5.386,1104 5.804,1105 6.576,1106 5.23,1107 5.182,1108 7.288,1109 4.612,1110 17.997,1111 5.113,1112 14.845,1113 1.483,1114 1.529,1115 1.547,1116 1.477,1117 1.476,1118 2.022,1119 0.225,1120 4.205,1121 1.43,1122 4.059,1123 4.091,1124 4.027,1125 3.954,1126 7.815,1127 3.964,1128 3.898,1129 3.934,1130 3.832,1131 3.835,1132 6.999,1133 3.828,1134 3.83,1135 3.873,1136 3.798,1137 3.641,1138 5.285,1139 3.667,1140 3.46,1141 3.498,1142 3.425,1143 3.2,1144 4.981,1145 3.194,1146 3.39,1147 3.476,1148 3.204,1149 3.095,1150 4.775,1151 3.117,1152 3.278,1153 3.358,1154 3.145,1155 3.024,1156 4.669,1157 3.096,1158 3.065,1159 3.186,1160 2.931,1161 2.735,1162 4.409,1163 2.77,1164 2.854,1165 2.925,1166 2.7,1167 2.722,1168 4.061,1169 2.715,1170 0.157,1171 0.131,1172 0.234,1173 0.143,1174 0.11,1175 4.552,1176 0.148,1177 3.804,1178 0.09,1179 6.774,1180 0.382,1181 4.16,1182 0.107,1183 3.182,1184 4.288,1185 2.612,1186 11.092,1187 3.113,1188 1.984,1189 1.959,1190 2.068,1191 2.122,1192 1.216,1193 2.096,1194 1.9,1195 1.871,1196 2.018,1197 1.994,1198 1.142,1199 2.004,1200 1.732,1201 1.688,1202 1.874,1203 1.954,1204 1.02,1205 1.913,1206 1.388,1207 1.305,1208 1.632,1209 1.649,1210 0.685,1211 1.66,1212 1.256,1213 1.182,1214 1.511,1215 1.62,1216 0.592,1217 1.54,1218 1.174,1219 1.137,1220 1.289,1221 1.481,1222 0.218,1223 1.484,1224 0.939,1225 0.836,1226 1.2,1227 1.355,1228 0.191,1229 1.337,1230 0.886,1231 0.821,1232 1.181,1233 1.074,1234 0.145,1235 1.107,1236 4.078,1238 5.389,1240 6.903,1242 8.513,1244 10.174,1246 1.935,1250 11.741,1252 1.065,1253 3.141,1262 30.246,1263 76.407,1264 171.805,1265 211.556,1266 235.556,1267 238.311,1268 238.311,1269 54.228,1270 7.147,1271 135.67,1272 135.67,1273 18,1274 12.458,1275 4.392,1276 3.585,1277 46.691,1278 97,1279 102,1280 0.235,1281 190.329,1282 324.66,1283 456.163,1284 11280,1286 19.389,1287 0.718,1288 0.55,1289 19.389,1290 14.846,1291 12.99,1292 0.448,1293 0.292,1294 8.364,1295 12.476,1296 8.172,1297 6.834,1298 12.99,1299 8.477,1300 11.622,1301 0.291,1302 0.149,1303 11.622,1304 5.97,1305 9.358,1306 0.18,1307 0.08,1308 9.358,1309 4.172,1310 8.123,1311 0.119,1312 0.043,1313 8.123,1314 2.902,1315 6.201,1316 0.076,1317 0.023,1318 6.201,1319 1.912,1320 0.362,1321 81.689,1322 0.23,1323 25.659,1324 0.667,1325 138,1326 429.364,1327 152.281,1328 423.043,1329 572.5,1330 390,1331 161,1332 431.379,1333 174.674,1334 433.708,1335 626.54,1336 407,1337 5.036}
{0 CHEMBL82853,1 1.623,2 12.484,3 4.5,4 20.246,5 129.94,6 7.719,7 0.545,8 4.129,9 4.268,10 3.708,11 3.643,12 5.292,13 3.619,14 4.614,15 4.801,16 4.039,17 4.007,18 5.715,19 3.951,20 4.863,21 5.091,22 4.154,23 4.134,24 5.913,25 4.064,26 4.88,27 5.101,28 4.125,29 4.126,30 5.981,31 4.049,32 4.964,33 5.207,34 4.092,35 4.136,36 6.035,37 4.056,38 4.996,39 5.253,40 4.122,41 4.164,42 6.016,43 4.055,44 4.958,45 5.209,46 4.172,47 4.127,48 6.035,49 4.007,50 4.838,51 5.068,52 4,53 4.015,54 5.962,55 3.891,56 0.119,57 0.875,58 11.603,59 4.727,60 17.36,61 6.447,62 0.257,63 1.304,64 21.163,65 8.003,66 31.287,67 11.127,68 0.413,69 1.539,70 31.07,71 9.068,72 44.472,73 13.496,74 0.39,75 1.586,76 31.153,77 9.26,78 52.293,79 13.811,80 0.498,81 1.671,82 33.141,83 9.064,84 64.068,85 14.019,86 0.444,87 1.624,88 36.214,89 10.933,90 60.762,91 16.134,92 0.53,93 1.443,94 41.212,95 11.292,96 67.731,97 16.253,98 0.585,99 1.241,100 39.707,101 10.536,102 71.057,103 14.185,104 31,105 44,106 0.266,107 0.627,108 0.778,109 0.87,110 0.878,111 0.878,112 3.471,113 0.948,114 -5.16,115 -5.06,116 -4.73,119 38.6,120 1,121 2,125 3,139 8,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 12,169 2,170 5,172 3,173 3,175 1,178 14,180 1,182 9,185 1,187 1,189 11,191 1,193 15,195 1,196 2,197 1,198 5,200 2,201 5,204 5,205 1,207 13,210 1,212 5,215 4,218 4,220 2,221 8,223 1,224 1,226 3,229 2,231 2,233 2,234 7,236 1,237 1,239 5,241 5,243 2,245 2,246 3,248 2,249 2,251 5,254 8,260 1,262 1,263 1,265 4,268 10,270 1,273 1740,274 21.016,275 21.016,276 21.016,277 21.016,278 21.016,279 18.592,280 23.199,281 12.665,282 21.459,283 16.192,284 16.192,285 16.192,286 16.192,287 16.192,288 12.548,289 26.711,290 5.859,291 16.98,292 4.21,293 2.002,294 1.079,295 0.518,296 0.469,297 0.469,298 4.154,299 1,301 1,302 1,303 811,304 3.742,307 343.666,314 1.823,315 29.194,318 1,319 1,320 0.83,321 0.8,322 0.5,323 1,324 1,325 0.88,326 66.833,327 387,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.4,335 11.076,336 3.094,337 4.184,338 3.111,339 6.048,340 3.73,341 2.797,342 3.815,344 8.676,345 2.595,346 3.904,347 2.816,348 5.416,349 3.559,350 2.578,351 3.446,353 7.175,354 2.533,355 3.643,356 2.586,357 5.305,358 3.341,359 2.38,360 3.013,362 6.702,363 2.274,364 3.524,365 2.385,366 5.236,367 3.176,368 2.252,369 2.645,371 6.59,372 2.065,373 3.3,374 2.226,375 5.038,376 2.932,377 1.985,378 2.548,380 5.702,381 1.876,382 3.109,383 1.972,384 4.756,385 2.682,386 1.733,387 2.324,389 4.932,390 1.638,391 2.956,392 1.817,393 4.236,394 2.513,395 1.552,396 2.11,398 3.966,399 1.503,400 2.889,401 1.624,402 3.642,403 2.455,404 1.497,405 2.02,407 3.154,408 1.366,409 2.5,410 1.498,411 3.329,412 2.06,413 1.125,414 1.5,415 2.136,416 1.043,417 2.388,418 1,419 3.29,420 2,421 1,422 1.245,423 2.021,424 1,425 2.094,426 0.857,427 3.247,428 1.764,429 0.777,430 1.012,431 1.797,432 0.764,433 1.751,434 0.767,435 3.194,436 1.546,437 0.578,438 0.653,439 1.142,440 0.549,441 1.531,442 0.572,443 2.761,444 1.293,445 0.352,446 0.406,448 0.695,449 0.321,450 1.373,451 0.386,452 2.719,453 1.031,454 0.112,455 0.134,457 0.22,458 0.097,459 14.848,460 0.479,461 0.66,462 0.021,463 40.25,464 1.298,465 21,466 0.677,467 19.25,468 0.621,469 27.07,470 0.873,471 33.752,472 0.592,473 31.7,474 1.023,475 7.975,476 0.257,477 7.036,478 0.227,479 0.158,481 0.296,485 0.874,486 1.171,487 0.713,488 0.95,489 1.052,490 0.915,491 0.737,492 1.075,493 0.731,494 0.968,495 0.681,496 0.95,497 1.017,498 1.097,499 0.888,500 0.882,501 0.87,502 0.883,503 0.89,504 1.291,505 0.987,506 1.146,507 0.727,508 1.101,509 1.154,510 1.154,511 0.897,512 0.952,513 1.126,514 1.007,515 0.974,516 1.015,517 0.864,518 0.915,519 0.972,520 0.948,521 0.941,522 0.953,523 1.186,524 1.079,525 0.849,526 0.996,527 1.408,528 0.844,529 1.65,530 1.192,531 1.383,532 1.104,533 6,534 0.173,535 3.111,536 2.125,537 1.729,538 1.104,539 0.691,540 0.464,541 0.427,542 0.216,543 12735,544 35887,545 2.012,546 45.6,547 3,548 14,551 5,552 2,553 2,555 1.738,556 1.879,557 3.596,558 2.413,564 92.504,565 1.623,566 3.831,567 4.754,568 5.315,569 5.364,570 5.364,571 3.023,572 4.632,573 4.926,574 3.766,575 1751.23,576 8.614,577 25653.2,579 1,582 332.475,583 1.418,584 4.881,585 0.182,586 0.006,587 0.071,588 0.045,589 0.038,590 0.026,591 0.016,592 0.012,593 0.013,594 0.007,595 0.415,597 1,598 0.999,599 162.404,600 -0.026,601 0.088,602 0.006,603 0.066,604 -0.162,605 0.044,606 0.107,607 0.062,608 0.066,609 0.037,610 0.083,611 0.027,612 -0.054,613 -0.03,614 0.044,615 0.082,616 -0.051,617 0.075,618 0.028,619 -0.206,620 -0.071,621 -0.186,622 0.073,623 -0.148,624 -0.138,625 -0.085,626 -0.078,627 -0.054,628 -0.134,629 -0.088,630 -0.027,631 -0.028,632 0.067,633 0.041,634 -0.051,635 0.023,636 0.132,637 -0.022,638 0.085,639 -0.043,640 0.127,641 0.013,642 -0.027,643 0.069,644 -0.171,645 -0.115,646 -0.041,647 -0.095,648 1.527,649 3.382,650 0.581,651 32.327,652 1.004,653 1.137,654 3.933,655 15.467,656 0.666,657 3.526,658 3.807,659 4.043,660 4.277,661 4.466,662 4.489,663 4.543,664 4.575,665 4.625,666 4.605,667 7.375,668 0.631,669 440,670 3.526,671 5.043,672 5.872,673 6.732,674 7.58,675 8.448,676 9.305,677 10.178,678 11.04,679 11.916,680 12.3,684 2,687 1,690 2,692 2,695 8,696 2,700 8,702 18,711 2,717 1,718 57,719 19,720 2,721 33,723 59,724 22,725 16,726 4,727 8,729 3,730 3,731 1,734 2,739 2,741 16,742 6,744 1,750 2,757 26,758 8,759 5,760 9,761 1,764 7,769 1,770 1,771 1,776 1,781 3,800 1,802 3,806 1,807 1,810 31,811 2,815 1,816 5,821 1,828 1,829 1.8,830 1,836 16.5,837 10.176,838 7.111,839 3.388,840 3.705,841 1.506,842 0.952,843 8.18,844 11.031,845 3.784,846 4.35,847 4.907,848 5.462,849 5.987,850 6.187,851 6.512,852 6.843,853 7.179,854 7.426,855 1,856 47,857 11.384,859 4.671,860 7.789,861 21.561,863 16.984,865 2.289,866 70.944,869 1,870 247.193,871 116.713,872 135.571,873 39.149,874 42.683,877 116.713,878 329.025,879 135.571,880 8.825,881 12.282,882 184.288,883 33.571,884 18.571,885 37.431,886 247.193,887 39.149,888 247.193,889 252.284,890 42.683,891 39.149,893 223.651,894 23.542,895 42.683,897 25.763,898 159.746,899 105.923,901 247.193,902 178.254,903 155.862,906 247.193,907 32.078,908 87.637,910 214.401,911 247.193,912 178.254,913 155.862,915 0.565,916 0.331,917 0.183,918 0.099,919 18,920 9,921 0.153,922 9,924 1,925 4.184,926 265.111,928 18,929 149.58,933 22.947,934 11.051,935 6.138,937 178.254,938 15.452,939 8.38,943 4.815,945 108.478,946 581.309,947 43,953 8.632,956 57.2,957 64.794,958 0.278,959 0.657,960 0.815,961 0.911,962 0.92,963 0.92,964 4.994,965 1.552,966 5.838,967 4.932,968 4.489,969 5.037,970 0.278,971 6.613,972 4.399,973 6.186,974 1.497,975 7.375,976 3.966,977 4.007,978 4.745,980 7.469,981 3.835,982 7.475,983 1.125,984 9.013,985 3.154,986 6.043,987 7.196,988 0.05,989 10.561,990 5.88,991 8.802,992 1,993 10.712,994 2.136,995 6.382,996 7.72,998 12.283,999 6.149,1000 10.161,1001 0.777,1002 12.452,1003 2.021,1004 7.874,1005 9.64,1006 0.008,1007 14.905,1008 7.646,1009 11.543,1010 0.578,1011 14.221,1012 1.797,1013 8.611,1014 10.574,1016 17.012,1017 8.331,1018 12.943,1019 0.352,1020 16.014,1021 1.142,1022 9.878,1023 12.249,1024 0.001,1025 19.479,1026 9.593,1027 3.171,1028 0.112,1029 17.824,1030 0.695,1031 10.815,1032 13.407,1034 21.756,1035 10.493,1036 2.797,1037 11.076,1038 19.65,1039 0.22,1040 11.991,1041 14.959,1043 24.173,1044 11.656,1045 2.578,1046 8.676,1047 21.489,1048 4.257,1049 13.028,1050 16.241,1052 26.522,1053 12.665,1054 2.38,1055 7.175,1056 23.338,1057 3.815,1058 14.171,1059 17.732,1061 28.925,1062 13.792,1063 2.252,1064 6.702,1065 25.197,1066 3.446,1067 15.258,1068 19.082,1070 31.304,1071 14.856,1072 1.985,1073 6.59,1074 27.064,1075 3.013,1076 16.392,1077 20.542,1079 33.705,1080 15.972,1081 1.733,1082 5.702,1083 28.938,1084 2.645,1085 17.505,1086 21.931,1088 36.097,1089 17.064,1090 12506,1091 21170,1092 21.671,1093 37.966,1094 48.272,1095 48.539,1096 49.972,1097 48.003,1098 47.78,1099 62.253,1100 0.8,1101 131.968,1102 45.435,1103 5.412,1104 5.278,1105 6.572,1106 5.216,1107 5.171,1108 7.257,1109 0.8,1110 17.964,1111 5.094,1112 16.61,1113 1.463,1114 1.471,1115 1.514,1116 1.455,1117 1.448,1118 1.886,1119 0.024,1120 3.999,1121 1.377,1122 4.019,1123 4.054,1124 4.056,1125 3.939,1126 6.456,1127 3.943,1128 3.919,1129 3.954,1130 3.843,1131 3.857,1132 5.287,1133 3.849,1134 3.77,1135 3.821,1136 3.824,1137 3.629,1138 5.038,1139 3.644,1140 3.636,1141 3.704,1142 3.54,1143 3.42,1144 4.975,1145 3.432,1146 3.392,1147 3.485,1148 3.291,1149 3.193,1150 4.756,1151 3.185,1152 3.316,1153 3.383,1154 3.204,1155 3.137,1156 4.705,1157 3.124,1158 3.133,1159 3.23,1160 3.135,1161 2.904,1162 4.465,1163 2.928,1164 3.06,1165 3.159,1166 3.025,1167 2.817,1168 4.223,1169 2.833,1170 0.137,1171 0.099,1172 0.205,1173 0.126,1174 0.096,1175 4.535,1176 0.129,1177 3.278,1178 0.012,1179 6.77,1180 0.336,1181 4.146,1182 0.094,1183 3.171,1184 4.257,1185 0.4,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.058,1191 2.065,1192 1.247,1193 2.055,1194 1.92,1195 1.89,1196 2.023,1197 2.013,1198 1.189,1199 2.028,1200 1.708,1201 1.665,1202 1.854,1203 1.887,1204 1.027,1205 1.874,1206 1.58,1207 1.509,1208 1.811,1209 1.806,1210 1.002,1211 1.811,1212 1.381,1213 1.296,1214 1.616,1215 1.633,1216 0.83,1217 1.652,1218 1.313,1219 1.246,1220 1.614,1221 1.542,1222 0.596,1223 1.566,1224 1.023,1225 0.95,1226 1.267,1227 1.376,1228 0.268,1229 1.357,1230 0.965,1231 0.89,1232 1.181,1233 1.283,1234 0.218,1235 1.248,1236 4.205,1238 5.493,1240 6.98,1242 8.563,1244 10.198,1246 1.973,1247 6.352,1250 11.854,1251 9.382,1252 2.388,1257 1.716,1262 35.96,1263 92.504,1264 218.369,1265 270.965,1266 302.965,1267 305.72,1268 305.72,1269 62.902,1270 7.326,1271 126.01,1272 126.01,1273 18,1274 12.458,1275 4.322,1276 3.459,1277 58.168,1278 136,1279 141,1280 0.203,1281 230.237,1282 393.98,1283 553.538,1284 15452,1285 1.8,1286 22.217,1287 0.717,1288 0.585,1289 22.717,1290 18.126,1291 15.012,1292 0.455,1293 0.316,1294 9.95,1295 14.198,1296 9.687,1297 8.062,1298 15.3,1299 10.424,1300 12.923,1301 0.294,1302 0.166,1303 13.294,1304 7.318,1305 10.503,1306 0.188,1307 0.09,1308 10.883,1309 5.057,1310 8.757,1311 0.123,1312 0.047,1313 8.992,1314 3.348,1315 6.819,1316 0.079,1317 0.026,1318 7.062,1319 2.217,1320 0.323,1321 96.866,1322 0.215,1323 29.336,1324 0.548,1325 154,1326 445.203,1327 182.92,1328 470.223,1329 634.64,1330 438,1331 177,1332 450.809,1333 202.271,1334 466.331,1335 673.45,1336 439,1337 5.331}
{0 CHEMBL82924,1 1.75,2 10.08,3 4.225,4 17.852,5 103.311,6 9.943,7 0.63,8 3.813,9 3.935,10 3.611,11 3.392,12 5.026,13 3.378,14 4.295,15 4.465,16 4.055,17 3.794,18 5.503,19 3.761,20 4.49,21 4.626,22 4.368,23 4.001,24 5.733,25 3.939,26 4.646,27 4.843,28 4.195,29 3.972,30 5.837,31 3.877,32 4.709,33 4.966,34 3.889,35 3.901,36 5.725,37 3.781,38 4.578,39 4.807,40 3.742,41 3.829,42 5.618,43 3.67,44 4.407,45 4.646,46 3.726,47 3.673,48 5.441,49 3.541,50 4.249,51 4.472,52 3.833,53 3.541,54 5.456,55 3.439,56 0.12,57 0.624,58 4.538,59 2.86,60 13.053,61 3.352,62 0.311,63 0.938,64 12.137,65 5.279,66 25.063,67 6.546,68 0.393,69 1.096,70 21.683,71 6.555,72 32.616,73 7.456,74 0.522,75 1.226,76 23.981,77 8.283,78 44.147,79 10.526,80 0.591,81 1.213,82 27.3,83 8.535,84 57.289,85 10.804,86 0.57,87 0.982,88 32.817,89 8.723,90 53.713,91 10.814,92 0.402,93 0.833,94 25.952,95 7.421,96 40.073,97 9.471,98 0.412,99 0.702,100 19.136,101 5.546,102 40.346,103 6.777,104 50,105 40,106 0.309,107 0.689,108 0.807,109 0.837,110 0.837,111 0.837,112 3.267,113 0.938,114 -5.12,115 -5.02,116 -4.7,119 40,120 1,124 1,125 1,139 2,140 3,141 4,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 3,169 2,170 7,172 3,173 3,175 1,178 6,180 1,182 4,187 1,189 4,191 1,192 2,193 9,195 3,196 3,197 1,198 3,200 2,201 5,204 3,205 1,207 1,212 1,215 2,218 1,220 2,221 2,223 1,224 1,226 2,229 6,231 2,241 3,246 6,248 1,249 1,251 2,254 5,256 2,260 1,268 2,273 831,274 16.085,275 16.085,276 16.085,277 16.085,278 16.085,279 13.819,280 20.142,281 9.013,282 16.752,283 13.231,284 13.231,285 13.231,286 13.231,287 13.231,288 9.877,289 28.953,290 4.236,291 14.535,292 3.572,293 1.425,294 0.757,295 0.588,296 0.588,297 0.588,298 3.938,299 3,301 1,302 1,303 532,304 3,307 212.756,311 111.948,314 1.45,315 25.985,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 54,327 252,328 4.656,329 3.514,330 6.837,331 4.19,332 3.218,333 4.616,334 0.916,335 11.242,336 3.134,337 4.389,338 3.328,339 6.365,340 3.93,341 3.03,342 4.075,343 0.172,344 9.564,345 2.722,346 3.942,347 2.997,348 5.978,349 3.568,350 2.65,351 3.422,353 8.334,354 2.427,355 3.712,356 2.625,357 5.73,358 3.334,359 2.415,360 3.016,362 7.55,363 2.109,364 3.452,365 2.623,366 5.097,367 2.97,368 2.037,369 2.86,371 5.912,372 1.891,373 3.37,374 2.183,375 5.01,376 2.894,377 1.968,378 2.693,380 5.794,381 1.814,382 3.232,383 2.048,384 4.879,385 2.707,386 1.879,387 2.481,389 5.225,390 1.441,391 2.718,392 1.87,393 4.353,394 2.352,395 1.406,396 1.788,398 3.837,399 1.319,400 2.516,401 1.614,402 4.059,403 2.149,404 1.22,405 1.52,407 3.201,408 1.115,409 1.643,410 1.289,411 3.166,412 1.27,413 0.429,414 0.489,415 1.018,416 0.311,417 1.465,418 0.585,419 2.839,420 0.967,421 0.242,422 0.284,423 0.563,424 0.157,425 1.195,426 0.173,427 2.811,428 0.838,429 -0.111,430 -0.137,431 -0.289,432 -0.105,433 1,434 0.112,435 2.653,436 0.512,437 -0.347,438 -0.445,439 -0.898,440 -0.229,441 0.958,442 -0.229,443 2.603,444 0.473,445 -0.404,446 -0.523,448 -1.082,449 -0.368,450 0.559,451 -0.277,452 2.271,453 0.281,454 -0.639,455 -0.727,457 -1.558,458 -0.571,459 12.543,460 0.502,461 0.898,462 0.036,463 34.5,464 1.38,465 17.5,466 0.7,467 17,468 0.68,469 21.61,470 0.864,471 26.457,472 0.661,473 24.605,474 0.984,475 6.715,476 0.269,477 5.059,478 0.202,479 0.314,481 0.431,485 0.844,486 1.348,487 0.518,488 0.747,489 0.99,490 0.74,491 0.685,492 0.798,493 0.514,494 0.53,495 0.46,496 0.567,497 0.932,498 1.35,499 0.751,500 0.976,501 0.813,502 0.992,503 0.529,504 1.169,505 0.667,506 1.128,507 0.55,508 1.173,509 0.949,510 0.908,511 0.717,512 0.818,513 0.988,514 0.969,515 1.109,516 0.807,517 1.265,518 1.184,519 1.187,520 1.238,521 0.951,522 0.971,523 0.941,524 0.952,525 0.94,526 0.959,527 1.055,528 0.905,529 0.938,530 0.826,531 1.097,532 0.864,533 6.5,534 0.14,535 3.778,536 2.625,537 2.333,538 0.785,539 0.547,540 0.467,541 0.279,542 0.258,543 6583,544 25579,545 1.969,546 37.5,547 3,548 7,550 1,551 4,555 1.68,556 1.765,557 3.284,558 1.855,560 1,564 70.009,565 1.75,566 3.896,567 4.565,568 4.734,569 4.734,570 4.734,571 2.725,572 4.324,573 4.619,574 3.423,575 1027,576 7.985,577 12200.8,579 1,581 1,582 212.877,583 1.55,584 4.527,585 0.241,586 0.009,587 0.094,588 0.06,589 0.061,590 0.026,591 0.022,592 0.019,593 0.012,594 0.014,595 0.558,596 0.17,597 1,598 0.7,599 119.723,600 -0.164,601 -0.131,602 -0.012,603 0.04,604 -0.258,605 0.047,606 0.095,607 0.33,608 0.139,609 0.33,610 0.22,611 0.307,612 -0.044,613 -0.247,614 0.082,615 -0.081,616 -0.015,617 -0.132,618 0.259,619 -0.143,620 0.063,621 -0.222,622 0.22,623 -0.231,624 -0.141,625 0.069,626 0.003,627 0.102,628 -0.148,629 0.025,630 -0.165,631 0.098,632 -0.25,633 -0.163,634 -0.249,635 -0.198,636 -0.079,637 -0.085,638 0.011,639 0.072,640 -0.055,641 0.11,642 -0.026,643 0.048,644 0.077,645 0.161,646 -0.02,647 0.128,648 1.563,649 2,650 0.64,651 19.229,652 1.022,653 1.133,654 3.894,655 15.161,656 0.729,657 3.332,658 3.714,659 3.989,660 4.234,661 4.443,662 4.489,663 4.5,664 4.554,665 4.663,666 4.663,667 5.875,668 0.694,669 397.72,670 3.332,671 4.905,672 5.771,673 6.671,674 7.551,675 8.451,676 9.336,677 10.235,678 11.123,679 12.023,680 15,684 2,686 1,690 3,694 2,695 3,696 3,700 8,702 17,711 2,714 1,717 3,718 40,719 17,720 1,721 27,723 42,724 16,725 13,726 4,727 2,729 3,730 4,731 3,734 1,741 13,742 3,754 1,757 15,758 6,759 4,760 9,761 3,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 2,807 3,810 25,811 2,816 1,821 1,828 3,836 14.167,837 7.895,838 5.361,839 2.107,840 3.325,841 1.465,842 1,843 5.112,844 10.47,845 3.597,846 4.304,847 4.927,848 5.53,849 6.096,850 6.38,851 6.648,852 6.987,853 7.386,854 7.511,855 0.857,856 44,857 9.13,859 3.864,860 7.88,861 17.017,863 13.709,865 2.38,866 59.5,869 1,870 129.482,871 75.472,872 119.275,873 117.446,877 75.472,878 246.928,879 119.275,880 17.222,881 2.106,882 84.747,883 62.128,884 36.09,885 4.227,886 117.711,887 117.446,888 129.482,889 194.747,891 117.446,893 131.197,897 21.877,898 120.798,899 167.803,901 129.482,902 119.275,903 192.918,906 129.482,907 30.251,908 48.346,910 233.597,911 129.482,912 119.275,913 192.918,915 0.605,916 0.364,917 0.188,918 0.099,919 20,920 11,921 0.071,922 3,923 1,924 1.125,925 3.512,926 209.651,927 0.125,928 16,929 110.096,933 18.264,934 6.997,935 3.553,936 1.179,937 119.275,938 5.272,939 12.485,943 4.307,945 65.794,946 441.676,947 35.5,956 40.884,957 45.313,958 0.329,959 0.732,960 0.858,961 0.89,962 0.89,963 0.89,964 4.862,965 1.406,966 5.808,967 5.225,968 4.394,969 4.99,970 0.918,971 6.668,972 4.22,973 6.128,974 1.22,975 7.414,976 3.837,977 4.205,978 5.047,979 0.325,980 7.65,981 3.913,982 7.476,983 0.429,984 9.114,985 3.201,986 6.052,987 7.317,988 0.671,989 10.76,990 5.759,991 8.857,992 0.242,993 10.865,994 1.018,995 6.594,996 8.12,997 0.393,998 12.511,999 6.207,1000 10.265,1001 -0.111,1002 12.647,1003 0.563,1004 7.989,1005 9.937,1006 0.533,1007 15.171,1008 7.599,1009 11.692,1010 -0.347,1011 14.451,1012 -0.289,1013 8.86,1014 11.101,1015 0.384,1016 17.27,1017 8.405,1018 13.135,1019 -0.404,1020 16.272,1021 -0.898,1022 10.09,1023 12.737,1024 0.438,1025 19.765,1026 9.622,1027 3.218,1028 -0.639,1029 18.106,1030 -1.082,1031 11.11,1032 14.08,1033 0.351,1034 22.028,1035 10.598,1036 3.03,1037 11.242,1038 19.951,1039 -1.558,1040 12.28,1041 15.641,1042 0.366,1043 24.46,1044 11.749,1045 2.65,1046 9.564,1047 21.806,1048 4.616,1049 13.368,1050 17.072,1051 0.312,1052 26.8,1053 12.805,1054 2.415,1055 8.334,1056 23.668,1057 4.075,1058 14.518,1059 18.603,1060 0.309,1061 29.212,1062 13.935,1063 2.037,1064 7.55,1065 25.536,1066 3.422,1067 15.638,1068 20.078,1069 0.273,1070 31.588,1071 15.029,1072 1.968,1073 5.912,1074 27.411,1075 3.016,1076 16.784,1077 21.598,1078 0.262,1079 33.995,1080 16.155,1081 1.879,1082 5.794,1083 29.29,1084 2.86,1085 17.918,1086 23.095,1087 0.236,1088 36.39,1089 17.268,1090 6515,1091 13001,1092 16.937,1093 29.176,1094 41.268,1095 42.799,1096 43.69,1097 41.026,1098 40.988,1099 54.486,1100 2.178,1101 124.481,1102 36.879,1103 5.49,1104 5.514,1105 6.111,1106 5.265,1107 5.218,1108 7.616,1109 1.605,1110 18.519,1111 5.134,1112 16.541,1113 1.528,1114 1.585,1115 1.618,1116 1.519,1117 1.518,1118 2.018,1119 0.081,1120 4.61,1121 1.366,1122 4.075,1123 4.114,1124 4.196,1125 3.966,1126 5.321,1127 3.98,1128 3.916,1129 3.935,1130 4.039,1131 3.864,1132 5.102,1133 3.858,1134 3.565,1135 3.628,1136 3.582,1137 3.384,1138 4.981,1139 3.404,1140 3.332,1141 3.416,1142 3.552,1143 3.12,1144 4.806,1145 3.126,1146 3.163,1147 3.261,1148 3.37,1149 2.931,1150 4.632,1151 2.941,1152 3.023,1153 3.153,1154 3.233,1155 2.849,1156 4.445,1157 2.815,1158 2.901,1159 2.986,1160 3.05,1161 2.707,1162 4.297,1163 2.725,1164 2.877,1165 2.918,1166 2.86,1167 2.678,1168 4.137,1169 2.661,1170 0.172,1171 0.13,1172 0.253,1173 0.155,1174 0.119,1175 4.656,1176 0.171,1177 3.514,1178 0.034,1179 6.837,1180 0.416,1181 4.19,1182 0.116,1183 3.218,1184 4.616,1185 0.916,1186 11.242,1187 3.134,1188 2,1189 1.969,1190 2.063,1191 2.134,1192 1.243,1193 2.113,1194 1.87,1195 1.857,1196 1.904,1197 1.956,1198 1.074,1199 1.958,1200 1.498,1201 1.439,1202 1.65,1203 1.705,1204 0.792,1205 1.7,1206 1.287,1207 1.202,1208 1.575,1209 1.541,1210 0.563,1211 1.563,1212 1.119,1213 1.03,1214 1.447,1215 1.4,1216 0.534,1217 1.409,1218 0.946,1219 0.827,1220 1.263,1221 1.337,1222 0.152,1223 1.341,1224 0.862,1225 0.827,1226 1.191,1227 1.163,1228 0.105,1229 1.192,1230 0.849,1231 0.757,1232 1,1233 0.962,1235 1.004,1236 4.007,1238 5.371,1240 6.929,1242 8.581,1244 10.281,1246 3.868,1247 18.227,1250 11.615,1252 0.562,1257 1.984,1262 27.772,1263 70.009,1264 155.858,1265 182.612,1266 189.367,1267 189.367,1268 189.367,1269 43.403,1270 7.144,1271 93.95,1272 93.95,1273 18,1274 12.547,1275 4.17,1276 3.248,1277 41.821,1278 89,1279 80,1280 0.235,1281 184.413,1282 306.09,1283 441.728,1284 11247,1285 7.5,1286 18.301,1287 0.732,1288 0.631,1289 19.801,1290 15.784,1291 11.774,1292 0.436,1293 0.313,1294 7.296,1295 10.575,1296 6.937,1297 5.756,1298 12.64,1299 8.438,1300 11.346,1301 0.284,1302 0.171,1303 12.421,1304 6.846,1305 9.563,1306 0.18,1307 0.097,1308 11.06,1309 5.148,1310 7.798,1311 0.115,1312 0.047,1313 8.614,1314 3.186,1315 5.927,1316 0.071,1317 0.025,1318 6.509,1319 2.073,1320 0.365,1321 82.676,1322 0.243,1323 23.994,1324 0.656,1325 134,1326 409.815,1327 190.799,1328 496.572,1329 650.3,1330 458,1331 160,1332 416.842,1333 215.025,1334 456.811,1335 670.43,1336 426,1337 7.44}
{0 CHEMBL82936,1 1.624,2 14.139,3 3.667,4 13.451,5 135.908,6 7.928,7 0.575,8 4.232,9 4.35,10 3.843,11 3.754,12 5.428,13 3.76,14 4.728,15 4.883,16 4.212,17 4.135,18 5.96,19 4.12,20 5.009,21 5.203,22 4.321,23 4.312,24 6.111,25 4.28,26 5.049,27 5.251,28 4.269,29 4.35,30 6.128,31 4.287,32 5.105,33 5.315,34 4.225,35 4.387,36 6.131,37 4.3,38 5.088,39 5.317,40 4.185,41 4.312,42 6.149,43 4.225,44 4.984,45 5.214,46 4.134,47 4.241,48 5.967,49 4.168,50 4.905,51 5.115,52 4.145,53 4.176,54 5.999,55 4.126,56 0.114,57 0.954,58 11.279,59 4.953,60 19.014,61 6.135,62 0.391,63 1.496,64 20.672,65 8.518,66 54.376,67 10.955,68 0.582,69 1.878,70 30.538,71 10.87,72 65.58,73 14.228,74 0.569,75 1.923,76 31.883,77 12.094,78 65.204,79 15.979,80 0.525,81 1.969,82 34.36,83 13.264,84 66.459,85 17.88,86 0.729,87 1.897,88 35.549,89 12.762,90 81.585,91 17.665,92 0.409,93 1.747,94 31.491,95 11.377,96 45.16,97 15.897,98 0.41,99 1.633,100 28.05,101 10.225,102 44.877,103 13.945,104 23,105 56,106 0.258,107 0.65,108 0.802,109 0.88,110 0.901,111 0.906,112 3.616,113 0.867,114 -4.35,115 -4.28,116 -4.04,119 42.6,121 3,125 2,134 2,139 7,140 2,141 3,142 1,143 2,144 1,146 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 11,167 1,169 2,170 8,172 3,173 4,175 1,178 11,179 1,181 4,182 10,184 1,185 1,187 1,189 10,190 1,192 2,193 4,195 3,196 3,197 1,198 1,200 2,201 12,205 1,206 1,207 5,208 1,209 1,210 1,215 14,220 3,221 11,223 1,224 2,229 10,234 10,241 5,242 2,245 1,246 14,248 1,249 1,251 6,254 3,255 2,256 4,259 1,260 15,265 8,268 4,269 1,270 6,273 2794,274 24.447,275 24.447,276 24.447,277 24.447,278 24.447,279 21.371,280 28.247,281 14.56,282 24.966,283 19.807,284 19.807,285 19.807,286 19.807,287 19.807,288 15.088,289 36.971,290 6.999,291 20.696,292 4.307,293 1.838,294 0.88,295 0.393,296 0.262,297 0.23,298 4.326,302 1,303 1107,304 3.808,307 318.2,308 87.787,311 137.809,312 284.953,314 2.329,315 36.485,318 1,319 0.67,320 1,321 0.6,323 0.83,324 0.5,325 0.66,326 78.5,327 509,328 4.549,329 3.596,330 6.81,331 4.172,332 3.212,333 4.491,334 2.341,335 11.279,336 3.085,337 4.489,338 3.418,339 6.501,340 4.014,341 3.07,342 4.107,343 0.916,344 10.172,345 2.894,346 4.111,347 3.117,348 6.099,349 3.699,350 2.718,351 3.74,352 0.86,353 8.853,354 2.669,355 3.787,356 2.914,357 5.486,358 3.395,359 2.442,360 3.241,361 0.172,362 7.264,363 2.325,364 3.59,365 2.626,366 5.275,367 3.247,368 2.28,369 2.912,371 6.72,372 2.222,373 3.548,374 2.53,375 5.075,376 3.194,377 2.224,378 2.811,380 5.965,381 2.106,382 3.433,383 2.216,384 5.057,385 3.014,386 2.075,387 2.714,389 5.796,390 1.947,391 3.411,392 2.106,393 4.945,394 2.934,395 2.003,396 2.708,398 5.603,399 1.862,400 3.29,401 1.998,402 4.658,403 2.84,404 1.894,405 2.51,407 5.182,408 1.778,409 2.938,410 1.771,411 4.255,412 2.54,413 1.559,414 2.123,415 3.674,416 1.519,417 2.776,418 1.485,419 3.844,420 2.461,421 1.464,422 1.89,423 3.243,424 1.458,425 2.637,426 1.373,427 3.709,428 2.33,429 1.338,430 1.634,431 3.133,432 1.326,433 2.455,434 1.265,435 3.642,436 1.929,437 1.01,438 1.435,439 2.565,440 0.926,441 2.363,442 1.06,443 3.572,444 1.888,445 0.932,446 1.241,448 2.363,449 0.887,450 2.156,451 0.992,452 3.201,453 1.701,454 0.75,455 0.923,457 1.626,458 0.704,459 16.8,460 0.467,461 0.87,462 0.024,463 51.25,464 1.424,465 27,466 0.75,467 24.25,468 0.674,469 29.02,470 0.806,471 37.8,472 0.62,473 42.539,474 1.182,475 10.053,476 0.279,477 7.421,478 0.206,479 0.087,481 0.351,485 0.932,486 1.265,487 0.761,488 0.994,489 0.887,490 0.863,491 0.706,492 1.107,493 0.791,494 1.039,495 0.43,496 0.953,497 1.075,498 0.969,499 0.947,500 0.897,501 0.89,502 0.901,503 0.887,504 0.912,505 1.017,506 1.007,507 0.72,508 1.036,509 0.831,510 1.029,511 1.051,512 1.101,513 0.777,514 1.121,515 0.711,516 0.907,517 0.961,518 0.975,519 0.696,520 1.008,521 0.772,522 1.02,523 0.884,524 0.97,525 0.477,526 0.946,527 0.842,528 1.06,529 0.891,530 1.026,531 0.607,532 0.974,533 7,534 0.313,535 3.556,536 2.375,537 2.398,538 0.972,539 0.639,540 0.693,541 0.533,542 0.312,543 19840,544 59124,545 2.12,546 41,547 2,548 13,550 1,551 5,552 2,553 2,555 1.776,556 2,557 3.692,558 2.272,564 99.061,565 1.624,566 4.093,567 5.051,568 5.537,569 5.668,570 5.701,571 3.274,572 5.003,573 5.128,574 3.924,575 2471.85,576 9.036,577 39136.9,582 361.775,583 1.352,584 5.109,585 0.175,586 0.009,587 0.063,588 0.038,589 0.041,590 0.018,591 0.012,592 0.014,593 0.01,594 0.006,595 0.387,597 0.63,598 1.357,599 196.385,600 -0.129,601 -0.092,602 0.022,603 0.022,604 -0.148,605 0.049,606 0.16,607 -0.003,608 0.067,609 -0.036,610 0.23,611 -0.015,612 -0.091,613 0.081,614 -0.014,615 0.081,616 -0.091,617 0.047,618 -0.033,619 0.114,620 -0.09,621 -0.004,622 -0.017,623 -0.055,624 -0.05,625 -0.047,626 -0.116,627 -0.072,628 -0.086,629 -0.104,630 0.122,631 0.056,632 0.016,633 0.034,634 0.016,635 0.01,636 -0.04,637 -0.043,638 0.075,639 0.044,640 0.01,641 0.078,642 0.002,643 -0.054,644 0.054,645 -0.025,646 0.064,647 0.018,648 2.458,649 3.696,650 0.694,651 48.068,652 1.011,653 1.129,654 3.115,655 9.706,656 0.676,657 3.714,658 4.043,659 4.317,660 4.625,661 4.92,662 5.069,663 5.247,664 5.451,665 5.656,666 5.778,667 8.008,668 0.656,669 483.58,670 3.714,671 5.263,672 6.116,673 7.002,674 7.877,675 8.772,676 9.659,677 10.558,678 11.452,679 12.355,680 11.5,684 2,688 1,690 4,694 2,695 8,696 4,700 8,702 23,711 2,714 1,716 1,718 61,719 25,720 2,721 40,723 65,724 26,725 18,726 5,727 7,728 2,729 5,730 9,739 3,741 21,742 5,744 2,748 1,749 2,751 1,757 25,758 10,759 5,760 10,764 7,769 0.4,770 3,774 1,776 1,781 4,782 1,785 1,786 2,792 1,795 2,800 1,802 2,810 36,811 2,815 1,816 5,818 1,821 1,829 4.9,831 1,832 1,834 1,836 18,837 10.783,838 7.833,839 3.556,840 5.283,841 1.601,842 1.002,843 6.872,844 14.078,845 3.998,846 4.62,847 5.218,848 5.841,849 6.462,850 6.801,851 7.247,852 7.708,853 8.2,854 8.53,855 0.9,856 62,857 13.244,859 5.677,860 7.843,861 25.011,863 20.54,865 2.343,866 84.333,870 235.422,871 137.516,872 136.061,874 78.828,877 137.516,878 314.25,879 136.061,881 14.302,882 151.081,883 147.651,884 46.916,885 4.227,886 223.651,888 235.422,889 273.577,890 78.828,893 213.595,894 102.37,897 33.273,898 152.494,899 86.095,901 235.422,902 214.889,903 137.516,906 235.422,907 43.183,908 97.458,910 211.765,911 235.422,912 214.889,913 137.516,915 0.58,916 0.328,917 0.183,918 0.105,919 27,920 12,921 0.123,922 8,923 3,924 1.24,925 4.61,926 355.251,927 0.24,928 25,929 186.117,933 23.828,934 10.383,935 5.367,936 0.766,937 214.889,938 15.721,939 17.201,943 5.735,945 108.478,946 587.827,947 53.5,951 10.696,952 4.137,954 -0.791,956 61.647,957 68.853,958 0.274,959 0.69,960 0.852,961 0.934,962 0.956,963 0.961,964 5.235,965 2.003,966 6.098,967 5.796,968 4.727,969 5.308,970 2.529,971 6.911,972 4.641,973 6.448,974 1.894,975 7.652,976 5.603,977 4.29,978 5.121,979 2.283,980 7.803,981 4.153,982 7.757,983 1.559,984 9.306,985 5.182,986 6.315,987 7.533,988 3.681,989 10.932,990 6.143,991 9.101,992 1.464,993 11.022,994 3.674,995 6.686,996 8.161,997 4.12,998 12.681,999 6.46,1000 10.475,1001 1.338,1002 12.778,1003 3.243,1004 8.182,1005 10.054,1006 5.21,1007 15.331,1008 7.923,1009 11.873,1010 1.01,1011 14.564,1012 3.133,1013 8.949,1014 11.09,1015 5.89,1016 17.448,1017 8.637,1018 13.289,1019 0.932,1020 16.371,1021 2.565,1022 10.227,1023 12.756,1024 6.85,1025 19.932,1026 9.88,1027 3.212,1028 0.75,1029 18.196,1030 2.363,1031 11.193,1032 14.008,1033 7.625,1034 22.208,1035 10.794,1036 3.07,1037 11.279,1038 20.034,1039 1.626,1040 12.382,1041 15.569,1042 8.526,1043 24.633,1044 11.945,1045 2.718,1046 10.172,1047 21.884,1048 4.491,1049 13.444,1050 16.933,1051 9.342,1052 26.978,1053 12.956,1054 2.442,1055 8.853,1056 23.742,1057 4.107,1058 14.601,1059 18.446,1060 10.216,1061 29.385,1062 14.072,1063 2.28,1064 7.264,1065 25.608,1066 3.74,1067 15.707,1068 19.869,1069 11.051,1070 31.762,1071 15.131,1072 2.224,1073 6.72,1074 27.48,1075 3.241,1076 16.854,1077 21.363,1078 11.912,1079 34.165,1080 16.235,1081 2.075,1082 5.965,1083 29.357,1084 2.912,1085 17.983,1086 22.815,1087 12.755,1088 36.557,1089 17.317,1090 18804,1091 32600,1092 27.046,1093 41.256,1094 60.314,1095 60.621,1096 60.944,1097 59.468,1098 59.423,1099 78.917,1100 8.579,1101 170.521,1102 56.852,1103 5.458,1104 5.596,1105 6.582,1106 5.253,1107 5.212,1108 7.491,1109 3.925,1110 18.65,1111 5.085,1112 17.171,1113 1.508,1114 1.516,1115 1.524,1116 1.487,1117 1.486,1118 1.973,1119 0.214,1120 4.263,1121 1.421,1122 4.085,1123 4.124,1124 4.052,1125 3.994,1126 7.474,1127 4,1128 3.985,1129 4.025,1130 3.961,1131 3.832,1132 6.351,1133 3.864,1134 3.809,1135 3.835,1136 3.746,1137 3.743,1138 5.342,1139 3.74,1140 3.713,1141 3.757,1142 3.591,1143 3.565,1144 4.99,1145 3.559,1146 3.514,1147 3.581,1148 3.448,1149 3.328,1150 4.908,1151 3.349,1152 3.394,1153 3.42,1154 3.29,1155 3.234,1156 4.849,1157 3.23,1158 3.29,1159 3.336,1160 3.177,1161 3.112,1162 4.713,1163 3.131,1164 3.152,1165 3.232,1166 3.062,1167 2.925,1168 4.365,1169 2.951,1170 0.114,1171 0.09,1172 0.17,1173 0.104,1174 0.08,1175 4.549,1176 0.112,1177 3.596,1178 0.059,1179 6.81,1180 0.282,1181 4.172,1182 0.077,1183 3.212,1184 4.491,1185 2.341,1186 11.279,1187 3.085,1188 1.947,1189 1.913,1190 2.027,1191 2.117,1192 1.279,1193 2.082,1194 1.911,1195 1.891,1196 2.011,1197 2.009,1198 1.174,1199 2,1200 1.881,1201 1.845,1202 1.947,1203 1.982,1204 1.12,1205 1.993,1206 1.7,1207 1.649,1208 1.922,1209 1.881,1210 0.972,1211 1.898,1212 1.441,1213 1.383,1214 1.599,1215 1.665,1216 0.773,1217 1.649,1218 1.34,1219 1.303,1220 1.557,1221 1.576,1222 0.71,1223 1.56,1224 1.266,1225 1.223,1226 1.502,1227 1.435,1228 0.563,1229 1.46,1230 1.073,1231 1.005,1232 1.286,1233 1.381,1234 0.254,1235 1.364,1236 4.394,1238 5.72,1240 7.236,1241 2.708,1242 8.849,1243 5.38,1244 10.517,1250 11.714,1251 8.792,1252 2.3,1254 5.891,1257 2.172,1262 40.035,1263 99.061,1264 249.685,1265 308.123,1266 337.775,1267 345.775,1268 347.775,1269 60.243,1270 8.795,1271 155.06,1272 155.06,1273 31,1274 12.877,1275 4.7,1276 3.858,1277 54.407,1278 163,1279 224,1280 0.156,1281 244.697,1282 422.01,1283 588.821,1284 96876,1286 25.07,1287 0.696,1288 0.541,1289 25.07,1290 19.464,1291 17.474,1292 0.437,1293 0.289,1294 11.388,1295 16.775,1296 11.201,1297 9.246,1298 17.474,1299 11.557,1300 15.977,1301 0.285,1302 0.15,1303 15.977,1304 8.399,1305 12.992,1306 0.176,1307 0.079,1308 12.992,1309 5.835,1310 11.329,1311 0.112,1312 0.041,1313 11.329,1314 4.145,1315 9.643,1316 0.071,1317 0.021,1318 9.643,1319 2.918,1320 0.246,1321 109.703,1322 0.192,1323 33.007,1324 0.425,1325 192,1326 578.471,1327 212.932,1328 562.582,1329 775.04,1330 526,1331 226,1332 582.248,1333 245.802,1334 587.043,1335 860.19,1336 554,1337 5.886}
{0 CHEMBL82975,1 1.684,2 10,3 3.561,4 12.679,5 98.506,6 9.082,7 0.654,8 3.806,9 3.936,10 3.53,11 3.363,12 5.002,13 3.349,14 4.286,15 4.467,16 3.95,17 3.755,18 5.468,19 3.722,20 4.474,21 4.628,22 4.165,23 3.942,24 5.653,25 3.884,26 4.635,27 4.844,28 3.945,29 3.925,30 5.765,31 3.827,32 4.701,33 4.967,34 3.758,35 3.858,36 5.686,37 3.737,38 4.559,39 4.81,40 3.64,41 3.774,42 5.544,43 3.62,44 4.399,45 4.648,46 3.577,47 3.628,48 5.401,49 3.492,50 4.23,51 4.475,52 3.608,53 3.464,54 5.358,55 3.356,56 0.086,57 0.634,58 6.013,59 2.941,60 11.709,61 3.705,62 0.267,63 0.953,64 13.373,65 5.295,66 23.205,67 6.902,68 0.275,69 1.117,70 20.52,71 6.507,72 25.305,73 8.071,74 0.4,75 1.238,76 22.71,77 8.149,78 39.581,79 10.879,80 0.489,81 1.221,82 26.879,83 8.058,84 51.111,85 11.056,86 0.432,87 1.002,88 27.896,89 8.243,90 43.867,91 11.018,92 0.323,93 0.842,94 25.352,95 7.138,96 35.946,97 9.526,98 0.32,99 0.724,100 18.156,101 5.23,102 35.051,103 6.95,104 37,105 38,106 0.298,107 0.686,108 0.816,109 0.863,110 0.872,111 0.872,112 3.229,113 0.918,114 -4.89,115 -4.8,116 -4.5,119 40,120 1,124 1,125 1,139 3,140 3,141 3,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 4,169 2,170 7,172 3,173 3,175 1,178 6,180 1,182 5,187 1,189 5,191 1,192 2,193 8,195 3,196 3,197 1,198 3,200 2,201 3,204 3,205 1,207 1,212 1,215 3,218 1,220 2,221 2,223 1,224 1,226 2,229 6,231 2,234 1,241 4,246 5,248 1,249 1,251 2,254 3,256 2,260 3,265 1,268 2,270 1,273 762,274 15.585,275 15.585,276 15.585,277 15.585,278 15.585,279 13.371,280 19.576,281 8.818,282 16.154,283 12.757,284 12.757,285 12.757,286 12.757,287 12.757,288 9.488,289 27.366,290 4.153,291 13.825,292 3.638,293 1.438,294 0.707,295 0.438,296 0.388,297 0.388,298 3.902,299 2,300 1,301 1,302 1,303 509,304 2.915,307 201.943,311 106.102,314 1.417,315 21.998,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 51.667,327 240,328 4.656,329 3.365,330 6.837,331 4.19,332 3.218,333 4.616,334 0.916,335 11.242,336 3.134,337 4.261,338 3.303,339 6.154,340 3.844,341 2.92,342 3.897,343 0.172,344 9.014,345 2.695,346 3.93,347 2.989,348 5.848,349 3.525,350 2.604,351 3.419,353 7.98,354 2.411,355 3.686,356 2.625,357 5.681,358 3.296,359 2.395,360 2.985,362 7.341,363 2.05,364 3.452,365 2.187,366 5.096,367 2.97,368 2.037,369 2.86,371 5.909,372 1.886,373 3.37,374 2.138,375 5.009,376 2.894,377 1.968,378 2.692,380 5.792,381 1.812,382 2.821,383 2.045,384 4.335,385 2.355,386 1.414,387 1.95,389 3.809,390 1.321,391 2.718,392 1.676,393 4.076,394 2.305,395 1.405,396 1.788,398 3.52,399 1.203,400 2.515,401 1.399,402 3.971,403 2.149,404 1.217,405 1.518,407 3.14,408 1.111,409 1.609,410 0.72,411 3.071,412 1.259,413 0.329,414 0.4,415 0.802,416 0.298,417 1.318,418 0.551,419 2.823,420 0.839,421 0.062,422 0.074,423 0.136,424 0.038,425 1.195,426 0.113,427 2.68,428 0.812,429 -0.111,430 -0.137,431 -0.29,432 -0.105,433 0.959,434 -0.079,435 2.48,436 0.511,437 -0.403,438 -0.522,439 -1.081,440 -0.364,441 0.728,442 -0.257,443 2.374,444 0.29,445 -0.617,446 -0.721,448 -1.546,449 -0.445,450 0.547,451 -0.364,452 2.101,453 0.217,454 -0.678,455 -0.833,457 -1.7,458 -0.594,459 11.829,460 0.493,461 0.809,462 0.034,463 33.75,464 1.406,465 17.5,466 0.729,467 16.25,468 0.677,469 19.099,470 0.796,471 25.371,472 0.634,473 23.814,474 0.992,475 6.627,476 0.276,477 4.736,478 0.197,479 0.273,481 0.414,485 0.89,486 1.352,487 0.559,488 0.82,489 1.051,490 0.79,491 0.685,492 0.812,493 0.539,494 0.602,495 0.441,496 0.629,497 0.991,498 1.355,499 0.843,500 1.059,501 0.832,502 1.042,503 0.657,504 1.161,505 0.848,506 1.215,507 0.639,508 1.226,509 0.977,510 0.912,511 0.74,512 0.848,513 1.029,514 0.981,515 0.93,516 0.8,517 1.058,518 1.045,519 1.022,520 1.11,521 1.01,522 0.98,523 1.072,524 1.036,525 0.997,526 1.011,527 1.051,528 0.91,529 0.892,530 0.829,531 1.12,532 0.894,533 6,534 0.132,535 3.556,536 2.313,537 2.062,538 0.785,539 0.506,540 0.405,541 0.266,542 0.182,543 5990,544 21088,545 1.991,546 40,547 3,548 8,550 1,551 4,555 1.668,556 1.8,557 3.28,558 1.86,560 1,564 67.367,565 1.684,566 3.884,567 4.615,568 4.884,569 4.934,570 4.934,571 2.721,572 4.502,573 4.559,574 3.403,575 939.297,576 7.863,577 10827,578 1,579 1,581 1,582 212.877,583 1.555,584 4.478,585 0.231,586 0.011,587 0.094,588 0.056,589 0.059,590 0.028,591 0.021,592 0.018,593 0.013,594 0.011,595 0.541,596 0.17,597 1,598 0.691,599 113.392,600 -0.159,601 -0.135,602 -0.006,603 0.029,604 -0.265,605 0.043,606 0.136,607 0.315,608 0.148,609 0.291,610 0.25,611 0.267,612 -0.096,613 -0.248,614 0.001,615 -0.129,616 -0.042,617 -0.148,618 0.148,619 -0.137,620 -0.098,621 -0.292,622 0.143,623 -0.28,624 -0.145,625 0.057,626 -0.02,627 0.059,628 -0.168,629 -0.009,630 -0.05,631 0.107,632 -0.112,633 -0.044,634 -0.135,635 -0.08,636 -0.1,637 -0.1,638 -0.047,639 -0.007,640 -0.081,641 0.038,642 -0.047,643 0.043,644 0.076,645 0.136,646 -0.054,647 0.087,648 1.549,649 1.988,650 0.667,651 18.375,652 1.014,653 1.134,654 3.661,655 13.405,656 0.708,657 3.296,658 3.664,659 3.932,660 4.174,661 4.394,662 4.431,663 4.443,664 4.511,665 4.615,666 4.575,667 5.763,668 0.674,669 363.28,670 3.296,671 4.86,672 5.72,673 6.613,674 7.489,675 8.384,676 9.265,677 10.16,678 11.045,679 11.941,680 15,684 2,686 1,690 3,694 2,695 4,696 3,700 7,702 17,711 2,714 1,717 2,718 40,719 17,720 1,721 26,723 42,724 16,725 13,726 3,727 3,729 3,730 4,731 2,734 1,741 13,742 3,753 1,754 1,757 16,758 6,759 4,760 8,761 2,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 2,807 2,810 24,811 2,816 1,821 1,828 2,836 13.333,837 7.836,838 5.167,839 2.12,840 3.305,841 1.468,842 1.003,843 4.673,844 10.36,845 3.57,846 4.263,847 4.883,848 5.485,849 6.062,850 6.332,851 6.616,852 6.97,853 7.362,854 7.458,855 0.857,856 41,857 8.766,859 3.681,860 7.822,861 16.456,863 13.227,865 2.322,866 55.722,869 1,870 141.253,871 81.448,872 119.275,873 78.297,877 81.448,878 219.551,879 119.275,880 17.222,881 2.106,882 94.223,883 62.128,884 32.589,885 4.227,886 129.482,887 78.297,888 141.253,889 200.723,891 78.297,893 142.969,897 21.877,898 126.774,899 128.654,901 141.253,902 119.275,903 159.745,906 141.253,907 26.75,908 57.822,910 194.448,911 141.253,912 119.275,913 159.745,915 0.601,916 0.358,917 0.184,918 0.1,919 19,920 10,921 0.071,922 3,923 1,924 1.125,925 3.472,926 196.817,927 0.125,928 16,929 110.039,933 17.019,934 6.59,935 3.365,936 1.225,937 119.275,938 7.287,939 12.505,943 4.433,945 65.794,946 420.274,947 34.5,956 40.56,957 45.369,958 0.316,959 0.73,960 0.867,961 0.918,962 0.927,963 0.927,964 4.822,965 1.405,966 5.746,967 3.809,968 4.344,969 4.949,970 0.918,971 6.592,972 4.196,973 6.079,974 1.217,975 7.34,976 3.52,977 4.111,978 4.956,979 0.325,980 7.554,981 3.864,982 7.418,983 0.329,984 9.029,985 3.14,986 5.984,987 7.261,988 0.671,989 10.657,990 5.732,991 8.792,992 0.062,993 10.771,994 0.802,995 6.494,996 8.031,997 0.393,998 12.407,999 6.169,1000 10.193,1001 -0.111,1002 12.545,1003 0.136,1004 7.903,1005 9.87,1006 0.533,1007 15.059,1008 7.572,1009 11.614,1010 -0.403,1011 14.343,1012 -0.29,1013 8.751,1014 11.013,1015 0.384,1016 17.166,1017 8.373,1018 13.051,1019 -0.617,1020 16.159,1021 -1.081,1022 9.985,1023 12.661,1024 0.438,1025 19.658,1026 9.595,1027 3.218,1028 -0.678,1029 17.988,1030 -1.546,1031 10.991,1032 13.994,1033 0.351,1034 21.931,1035 10.57,1036 2.92,1037 11.242,1038 19.83,1039 -1.7,1040 12.161,1041 15.561,1042 0.366,1043 24.367,1044 11.724,1045 2.604,1046 9.014,1047 21.681,1048 4.616,1049 13.24,1050 16.991,1051 0.312,1052 26.717,1053 12.781,1054 2.395,1055 7.98,1056 23.541,1057 3.897,1058 14.389,1059 18.526,1060 0.309,1061 29.134,1062 13.913,1063 2.037,1064 7.341,1065 25.409,1066 3.419,1067 15.503,1068 20.003,1069 0.273,1070 31.52,1071 15.008,1072 1.968,1073 5.909,1074 27.283,1075 2.985,1076 16.648,1077 21.527,1078 0.262,1079 33.933,1080 16.136,1081 1.414,1082 5.792,1083 29.163,1084 2.86,1085 17.781,1086 23.028,1087 0.236,1088 36.335,1089 17.25,1090 5906,1091 11209,1092 16.531,1093 28.318,1094 39.496,1095 40.512,1096 41.693,1097 39.344,1098 39.14,1099 52.399,1100 2.178,1101 117.371,1102 35.919,1103 5.488,1104 5.365,1105 6.136,1106 5.265,1107 5.218,1108 7.616,1109 1.605,1110 18.518,1111 5.134,1112 14.916,1113 1.519,1114 1.558,1115 1.604,1116 1.513,1117 1.505,1118 2.015,1119 0.084,1120 4.514,1121 1.382,1122 4.075,1123 4.114,1124 4.123,1125 3.965,1126 5.321,1127 3.979,1128 3.911,1129 3.936,1130 4.035,1131 3.85,1132 5.042,1133 3.845,1134 3.564,1135 3.628,1136 3.552,1137 3.382,1138 4.981,1139 3.402,1140 3.331,1141 3.417,1142 3.402,1143 3.116,1144 4.806,1145 3.122,1146 3.163,1147 3.261,1148 3.347,1149 2.931,1150 4.492,1151 2.94,1152 3.023,1153 3.153,1154 3.051,1155 2.794,1156 4.37,1157 2.767,1158 2.878,1159 2.986,1160 2.976,1161 2.707,1162 4.165,1163 2.724,1164 2.877,1165 2.922,1166 2.812,1167 2.67,1168 4.023,1169 2.654,1170 0.179,1171 0.129,1172 0.263,1173 0.161,1174 0.124,1175 4.656,1176 0.178,1177 3.365,1178 0.035,1179 6.837,1180 0.432,1181 4.19,1182 0.121,1183 3.218,1184 4.616,1185 0.916,1186 11.242,1187 3.134,1188 2,1189 1.969,1190 2.064,1191 2.134,1192 1.243,1193 2.113,1194 1.876,1195 1.856,1196 1.938,1197 1.969,1198 1.075,1199 1.972,1200 1.499,1201 1.438,1202 1.667,1203 1.711,1204 0.796,1205 1.707,1206 1.288,1207 1.202,1208 1.578,1209 1.546,1210 0.564,1211 1.567,1212 1.119,1213 1.03,1214 1.447,1215 1.4,1216 0.535,1217 1.409,1218 0.946,1219 0.827,1220 1.263,1221 1.337,1222 0.176,1223 1.341,1224 0.868,1225 0.824,1226 1.194,1227 1.163,1228 0.147,1229 1.192,1230 0.862,1231 0.757,1232 1.098,1233 1.016,1235 1.059,1236 3.97,1238 5.323,1240 6.872,1242 8.515,1244 10.206,1246 3.935,1247 12.058,1250 11.611,1252 0.622,1257 2.048,1262 26.944,1263 67.367,1264 155.367,1265 184.612,1266 195.367,1267 197.367,1268 197.367,1269 37.063,1270 7.055,1271 93.95,1272 93.95,1273 18,1274 12.468,1275 4.17,1276 3.248,1277 39.33,1278 83,1279 80,1280 0.236,1281 176.08,1282 290.88,1283 421.395,1284 10092,1285 5,1286 17.43,1287 0.726,1288 0.614,1289 18.43,1290 14.728,1291 11.363,1292 0.437,1293 0.306,1294 7.16,1295 10.424,1296 6.836,1297 5.693,1298 11.94,1299 7.955,1300 10.829,1301 0.285,1302 0.167,1303 11.57,1304 6.343,1305 9.058,1306 0.181,1307 0.093,1308 9.972,1309 4.625,1310 7.398,1311 0.116,1312 0.045,1313 7.784,1314 2.854,1315 5.737,1316 0.072,1317 0.024,1318 6.154,1319 1.923,1320 0.366,1321 77.037,1322 0.246,1323 23.221,1324 0.658,1325 128,1326 375.612,1327 169.28,1328 434.386,1329 578.23,1330 402,1331 152,1332 388.979,1333 189.554,1334 418.884,1335 612.13,1336 391,1337 7.377}
{0 CHEMBL83164,1 1.592,2 9.923,3 3.648,4 13.304,5 105.269,6 7.13,7 0.429,8 4.005,9 4.151,10 3.517,11 3.485,12 5.135,13 3.463,14 4.542,15 4.732,16 3.875,17 3.899,18 5.714,19 3.841,20 4.843,21 5.091,22 3.96,23 4.053,24 5.811,25 3.977,26 4.884,27 5.123,28 3.994,29 4.059,30 5.992,31 3.984,32 4.895,33 5.128,34 3.935,35 4.052,36 6.007,37 3.978,38 4.917,39 5.169,40 3.869,41 3.99,42 5.993,43 3.899,44 4.852,45 5.109,46 3.804,47 3.79,48 6.153,49 3.719,50 4.576,51 4.813,52 3.42,53 3.506,54 5.813,55 3.451,56 0.161,57 0.78,58 11.142,59 4.073,60 15.132,61 6.036,62 0.275,63 1.206,64 20.056,65 7.65,66 53.344,67 11.082,68 0.298,69 1.466,70 28.774,71 8.877,72 37.717,73 14.098,74 0.428,75 1.482,76 30.192,77 9.216,78 57.973,79 14.412,80 0.397,81 1.479,82 30.597,83 8.628,84 68.276,85 13.702,86 0.451,87 1.398,88 32.03,89 9.217,90 64.568,91 14.337,92 0.79,93 1.155,94 31.411,95 8.088,96 121.973,97 12.546,98 0.56,99 0.855,100 24.046,101 5.595,102 90.447,103 8.39,104 30,105 39,106 0.269,107 0.594,108 0.747,109 0.819,110 0.838,111 0.838,112 3.305,113 0.96,114 -4.83,115 -4.74,116 -4.45,119 36,120 1,121 6,127 1,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 9,169 2,170 4,172 3,173 3,175 4,178 9,180 1,182 7,185 1,187 5,189 6,191 1,193 11,195 1,196 3,197 1,198 7,200 2,201 5,204 5,205 1,207 9,212 5,215 9,218 4,220 2,221 7,223 1,224 1,226 2,229 8,231 2,233 4,234 8,236 2,237 4,238 1,239 2,240 1,241 6,243 1,246 4,248 1,249 1,251 1,254 3,260 4,262 2,263 2,264 1,265 2,267 1,268 3,270 2,273 928,274 17.37,275 17.37,276 17.37,277 17.37,278 17.37,279 15.575,280 22.358,281 10.225,282 17.657,283 13.76,284 13.76,285 13.76,286 13.76,287 13.76,288 11,289 33.02,290 4.764,291 14.241,292 4.052,293 2.135,294 1.23,295 0.805,296 0.695,297 0.695,298 3.983,300 1,301 1,302 1,303 544,304 3,307 266.138,314 1.627,315 32.016,317 1,318 1,319 1,320 1,321 1,322 0.5,323 1,324 1,325 0.93,326 57,327 258,328 4.558,329 3.807,330 6.778,331 4.164,332 3.187,333 4.297,334 2.612,335 11.105,336 3.117,337 4.344,338 3.232,339 6.415,340 3.908,341 2.946,342 4.024,343 0.4,344 9.821,345 2.834,346 3.709,347 2.852,348 5.406,349 3.462,350 2.489,351 3.174,353 7.103,354 2.421,355 3.611,356 2.488,357 5.314,358 3.226,359 2.286,360 2.872,362 6.656,363 2.15,364 3.357,365 2.281,366 5.038,367 2.937,368 1.988,369 2.552,371 5.703,372 1.883,373 3.296,374 2.215,375 4.805,376 2.883,377 1.914,378 2.482,380 5.069,381 1.85,382 3.077,383 1.854,384 4.76,385 2.694,386 1.737,387 2.242,389 4.965,390 1.655,391 2.61,392 1.505,393 3.642,394 2.388,395 1.399,396 1.597,398 3.029,399 1.382,400 2.441,401 1.303,402 3.577,403 2,404 1,405 1.44,407 2.424,408 1,409 2,410 1,411 3.34,412 2,413 1,414 1,415 2.136,416 1,417 1.756,418 1,419 3.247,420 1.566,421 0.586,422 0.661,423 1.216,424 0.574,425 1.432,426 0.719,427 2.879,428 1.186,429 0.227,430 0.261,431 0.454,432 0.217,433 1.154,434 0.381,435 2.726,436 0.847,437 -0.098,438 -0.116,439 -0.253,440 -0.093,441 1,442 0.04,443 2.422,444 0.442,445 -0.477,446 -0.586,448 -1.146,449 -0.436,450 0.826,451 -0.305,452 2.269,453 0.405,454 -0.563,455 -0.653,457 -1.349,458 -0.544,459 12.067,460 0.464,461 0.682,462 0.026,463 33.25,464 1.279,465 16.5,466 0.635,467 16.75,468 0.644,469 22.469,470 0.864,471 29.333,472 0.587,473 25.05,474 0.963,475 5.863,476 0.226,477 6.627,478 0.255,479 0.163,481 0.365,485 0.619,486 1.261,487 0.849,488 1.045,489 0.669,490 0.984,491 0.39,492 1.186,493 0.783,494 1.179,495 0.294,496 1.072,497 0.714,498 1.098,499 0.833,500 0.987,501 0.481,502 0.925,503 0.78,504 1.13,505 0.892,506 1.071,507 0.693,508 1.008,509 1.189,510 1.15,511 1.114,512 1.091,513 1.137,514 1.079,515 1.078,516 1.054,517 1.028,518 1.107,519 1.162,520 1.065,521 1.229,522 0.853,523 0.954,524 0.932,525 1.479,526 0.919,527 2.327,528 0.839,529 1.342,530 0.851,531 2.65,532 0.947,533 5.5,534 0.083,535 2.667,536 2.375,537 1.729,538 1.063,539 0.871,540 0.42,541 0.345,542 0.1,543 7186,544 18490,545 2.014,546 48,547 9,548 4,551 5,552 2,553 4,555 1.695,556 1.857,557 3.253,558 2.596,560 1,564 79.585,565 1.592,566 3.509,567 4.414,568 4.839,569 4.949,570 4.949,571 2.738,572 3.902,573 4.67,574 3.421,575 1111.85,576 8.117,577 13579.8,579 1,581 1,582 282.193,583 1.502,584 4.615,585 0.196,586 0.006,587 0.068,588 0.057,589 0.041,590 0.027,591 0.025,592 0.014,593 0.016,594 0.006,595 0.456,597 1,598 0.923,599 125.748,600 0.11,601 0.077,602 0.028,603 0.113,604 -0.044,605 0.064,606 0.287,607 -0.011,608 0.111,609 -0.042,610 0.307,611 -0.009,612 -0.006,613 -0.041,614 0.104,615 0.041,616 0.053,617 0.089,618 0.087,619 -0.085,620 0.062,621 -0.051,622 0.099,623 -0.007,624 -0.197,625 -0.087,626 -0.148,627 -0.098,628 -0.143,629 -0.105,630 -0.048,631 -0.074,632 -0.044,633 -0.13,634 -0.114,635 -0.09,636 0.224,637 0.032,638 0.099,639 -0.019,640 0.136,641 0.008,642 -0.447,643 0.04,644 -0.248,645 0.04,646 -0.41,647 -0.061,648 2.366,649 4.624,650 0.692,651 22.485,652 1.004,653 1.143,654 3.597,655 12.94,656 0.636,657 3.367,658 3.689,659 3.951,660 4.234,661 4.443,662 4.489,663 4.595,664 4.654,665 4.736,666 4.691,667 5.882,668 0.606,669 356.48,670 3.367,671 4.905,672 5.753,673 6.637,674 7.505,675 8.396,676 9.272,677 10.166,678 11.046,679 11.941,680 12,684 2,685 1,690 2,691 1,695 3,696 2,700 7,702 12,711 2,712 1,713 1,718 50,719 14,720 1,721 28,723 52,724 18,725 10,726 3,727 3,729 3,730 3,734 1,736 6,739 7,741 10,742 8,744 2,746 1,748 2,753 1,754 1,757 24,758 7,759 5,760 8,764 6,769 1,770 2,776 1,781 3,802 3,806 1,810 26,811 2,816 6,817 1,820 1,829 4,835 2,836 14,837 8.933,838 5.806,839 3.282,840 2.422,841 1.342,842 0.969,843 5.694,844 9.514,845 3.611,846 4.205,847 4.741,848 5.328,849 5.858,850 6.164,851 6.544,852 6.843,853 7.192,854 7.382,855 0.857,856 42,857 9.631,859 4.121,860 7.904,861 18.266,863 15.065,865 2.404,866 62.5,868 1,869 1,870 223.651,871 71.33,872 123.046,874 50.747,877 71.33,878 274.398,879 123.046,880 14.495,881 15.207,882 94.223,883 51.582,884 14.641,885 4.227,886 223.651,887 50.747,888 223.651,889 194.376,890 50.747,893 176.567,894 47.084,895 50.747,897 28.688,898 108.436,899 57.252,901 223.651,902 173.793,903 71.33,906 223.651,907 34.076,908 42.924,909 18.011,910 150.112,911 223.651,912 173.793,913 71.33,915 0.578,916 0.341,917 0.194,918 0.107,919 18,920 9,921 0.096,922 5,924 1,925 3.648,926 218.887,928 18,929 116.211,933 18.554,934 7.979,935 4.137,937 168.123,938 5.107,939 8.229,943 2.821,945 83.805,946 468.774,947 36,949 -0.366,951 23.247,956 50.218,957 57.145,958 0.282,959 0.622,960 0.782,961 0.857,962 0.877,963 0.877,964 4.852,965 1.399,966 5.746,967 4.965,968 4.369,969 4.89,970 2.527,971 6.569,972 4.303,973 6.06,974 1,975 7.314,976 3.029,977 4.007,978 4.832,979 2.361,980 7.513,981 3.897,982 7.378,983 1,984 8.983,985 2.424,986 5.969,987 7.094,988 4.155,989 10.625,990 5.839,991 8.73,992 0.586,993 10.712,994 2.136,995 6.399,996 7.828,997 4.506,998 12.407,999 6.232,1000 10.115,1001 0.227,1002 12.479,1003 1.216,1004 7.858,1005 9.612,1006 5.948,1007 15.048,1008 7.674,1009 11.522,1010 -0.098,1011 14.275,1012 0.454,1013 8.663,1014 10.708,1015 6.556,1016 17.185,1017 8.449,1018 12.947,1019 -0.477,1020 16.092,1021 -0.253,1022 9.922,1023 12.303,1024 7.794,1025 19.661,1026 9.689,1027 3.187,1028 -0.563,1029 17.925,1030 -1.146,1031 10.906,1032 13.574,1033 8.548,1034 21.946,1035 10.647,1036 2.946,1037 11.105,1038 19.771,1039 -1.349,1040 12.085,1041 15.086,1042 9.67,1043 24.363,1044 11.806,1045 2.489,1046 9.821,1047 21.628,1048 4.297,1049 13.153,1050 16.441,1051 10.509,1052 26.709,1053 12.85,1054 2.286,1055 7.103,1056 23.493,1057 4.024,1058 14.303,1059 17.915,1060 11.563,1061 29.107,1062 13.98,1063 1.988,1064 6.656,1065 25.364,1066 3.174,1067 15.41,1068 19.313,1069 12.452,1070 31.48,1071 15.063,1072 1.914,1073 5.703,1074 27.242,1075 2.872,1076 16.551,1077 20.77,1078 13.468,1079 33.873,1080 16.184,1081 1.737,1082 5.069,1083 29.123,1084 2.552,1085 17.677,1086 22.19,1087 14.386,1088 36.257,1089 17.287,1090 7103,1091 11597,1092 18.205,1093 31.796,1094 41.526,1095 43.069,1096 43.542,1097 41.602,1098 41.519,1099 53.203,1100 6.025,1101 119.361,1102 40.165,1103 5.558,1104 5.807,1105 6.58,1106 5.235,1107 5.187,1108 7.297,1109 4.612,1110 17.998,1111 5.117,1112 14.344,1113 1.483,1114 1.538,1115 1.555,1116 1.486,1117 1.483,1118 1.9,1119 0.215,1120 4.263,1121 1.434,1122 4.062,1123 4.096,1124 4.03,1125 3.953,1126 7.815,1127 3.963,1128 3.865,1129 3.923,1130 3.809,1131 3.739,1132 6.999,1133 3.732,1134 3.803,1135 3.851,1136 3.695,1137 3.626,1138 5.285,1139 3.644,1140 3.463,1141 3.497,1142 3.423,1143 3.197,1144 4.98,1145 3.191,1146 3.39,1147 3.477,1148 3.204,1149 3.037,1150 4.7,1151 3.124,1152 3.214,1153 3.302,1154 3.076,1155 3.007,1156 4.422,1157 3.015,1158 3.111,1159 3.206,1160 2.914,1161 2.941,1162 4.276,1163 2.91,1164 3.068,1165 3.187,1166 2.866,1167 2.805,1168 3.966,1169 2.818,1170 0.163,1171 0.136,1172 0.242,1173 0.149,1174 0.114,1175 4.558,1176 0.153,1177 3.807,1178 0.093,1179 6.778,1180 0.397,1181 4.164,1182 0.111,1183 3.187,1184 4.297,1185 2.612,1186 11.105,1187 3.117,1188 1.986,1189 1.959,1190 2.106,1191 2.129,1192 1.478,1193 2.107,1194 1.859,1195 1.805,1196 2.03,1197 2.012,1198 1.201,1199 2.027,1200 1.72,1201 1.675,1202 1.87,1203 1.944,1204 1.028,1205 1.904,1206 1.386,1207 1.302,1208 1.629,1209 1.648,1210 0.825,1211 1.659,1212 1.195,1213 1.152,1214 1.513,1215 1.621,1216 0.808,1217 1.537,1218 1.185,1219 1.113,1220 1.485,1221 1.436,1222 0.605,1223 1.453,1224 1.153,1225 1.064,1226 1.286,1227 1.376,1228 0.213,1229 1.429,1230 0.982,1231 0.892,1232 1.257,1233 1.354,1234 0.156,1235 1.343,1236 4.043,1238 5.361,1240 6.882,1242 8.5,1244 10.17,1246 1.929,1250 11.695,1252 6.22,1253 3.338,1256 0.282,1262 30.299,1263 79.585,1264 175.464,1265 220.709,1266 241.928,1267 247.438,1268 247.438,1269 56.478,1270 7.092,1271 135.67,1272 135.67,1273 18,1274 12.469,1275 3.907,1276 3.17,1277 44.141,1278 93,1279 92,1280 0.241,1281 189.519,1282 326.18,1283 454.186,1284 10174,1286 18.681,1287 0.719,1288 0.572,1289 18.681,1290 14.865,1291 12.49,1292 0.446,1293 0.32,1294 8.853,1295 11.979,1296 8.68,1297 7.237,1298 12.49,1299 8.964,1300 11.28,1301 0.289,1302 0.17,1303 11.28,1304 6.611,1305 9.055,1306 0.178,1307 0.094,1308 9.055,1309 4.812,1310 7.927,1311 0.117,1312 0.052,1313 7.927,1314 3.544,1315 6.267,1316 0.075,1317 0.03,1318 6.267,1319 2.505,1320 0.37,1321 78.643,1322 0.234,1323 24.796,1324 0.686,1325 134,1326 393.364,1327 148.614,1328 384.517,1329 520.51,1330 354,1331 157,1332 395.661,1333 170.84,1334 394.508,1335 573.04,1336 371,1337 5.921}
{0 CHEMBL83283,1 1.423,2 8.591,3 1.963,4 3.852,5 93.406,6 6.783,7 0.5,8 3.876,9 4.036,10 3.353,11 3.359,12 4.956,13 3.332,14 4.398,15 4.608,16 3.718,17 3.765,18 5.407,19 3.704,20 4.641,21 4.887,22 3.765,23 3.903,24 5.579,25 3.818,26 4.649,27 4.878,28 3.804,29 3.939,30 5.678,31 3.85,32 4.766,33 5.006,34 3.679,35 3.962,36 5.794,37 3.839,38 4.822,39 5.14,40 3.381,41 3.8,42 5.709,43 3.606,44 4.501,45 4.836,46 3.116,47 3.452,48 5.309,49 3.273,50 4.135,51 4.412,52 3.077,53 3.252,54 5.038,55 3.14,56 0.07,57 0.703,58 10.354,59 3.388,60 11.981,61 5.367,62 0.199,63 1.078,64 18.04,65 6.297,66 21.981,67 9.583,68 0.228,69 1.262,70 23.578,71 7.261,72 23.446,73 11.735,74 0.199,75 1.303,76 23.446,77 7.779,78 30.389,79 12.238,80 0.254,81 1.376,82 26.775,83 7.768,84 43.902,85 12.899,86 0.358,87 1.194,88 29.468,89 8.649,90 56.186,91 14.207,92 0.301,93 0.844,94 21.6,95 6.076,96 34.638,97 10.096,98 0.155,99 0.684,100 14.447,101 4.004,102 20.598,103 6.775,104 18,105 34,106 0.25,107 0.607,108 0.77,109 0.827,110 0.827,111 0.827,112 3.147,113 0.958,114 -3.76,115 -3.72,116 -3.54,119 36.4,120 1,121 3,125 2,139 3,140 2,141 2,143 1,144 1,147 1,157 3,158 3,159 3,166 6,169 1,170 6,172 3,173 3,175 2,178 5,180 2,182 5,184 1,185 1,187 3,189 4,191 3,193 6,195 1,196 1,197 1,198 7,200 2,201 5,204 7,205 1,207 4,212 6,215 7,218 6,223 2,224 2,225 1,226 3,228 2,229 3,231 3,232 1,233 2,234 1,236 1,237 1,239 2,241 2,243 2,246 1,250 1,253 2,258 1,260 4,262 1,263 1,265 2,268 2,270 2,273 594,274 14.801,275 14.801,276 14.801,277 14.801,278 14.801,279 13.283,280 20.759,281 8.598,282 15.102,283 11.771,284 11.771,285 11.771,286 11.771,287 11.771,288 9.43,289 26.644,290 3.963,291 12.289,292 4.037,293 1.997,294 1.069,295 0.744,296 0.744,297 0.744,298 3.822,300 1,301 1,302 1,303 403,304 2.236,306 62.263,307 141.285,314 1.355,315 17.639,317 1,318 0.75,319 0.83,320 0.83,321 0.9,322 0.5,323 0.83,324 1,325 0.81,326 47,327 189,328 4.538,329 3.282,330 6.773,331 4.157,332 3.182,333 4.257,334 0.8,335 11.084,336 3.109,337 4.251,338 3.16,339 6.445,340 3.912,341 2.962,342 3.832,344 9.926,345 2.817,346 3.684,347 2.501,348 5.4,349 3.321,350 2.376,351 3.047,353 6.932,354 2.244,355 3.333,356 2.258,357 5.062,358 3.046,359 2.103,360 2.555,362 5.862,363 1.979,364 3.289,365 2.201,366 5.036,367 2.928,368 1.981,369 2.485,371 5.684,372 1.874,373 3.028,374 1.807,375 4.71,376 2.657,377 1.696,378 2.176,380 4.758,381 1.623,382 2.749,383 1.492,384 4.032,385 2.397,386 1.414,387 1.826,389 3.463,390 1.388,391 2.037,392 1.01,393 3.385,394 1.893,395 0.919,396 1.006,398 2.129,399 0.893,400 1.694,401 0.744,402 3.239,403 1.591,404 0.618,405 0.618,407 1.372,408 0.6,409 1.618,410 0.637,411 3,412 1.511,413 0.528,414 0.596,415 0.993,416 0.518,417 1.306,418 0.157,419 2.748,420 0.998,421 0.05,422 0.06,423 0.11,424 0.047,425 1.025,426 -0.065,427 2.501,428 0.696,429 -0.252,430 -0.303,431 -0.615,432 -0.238,433 0.826,434 -0.305,435 2.396,436 0.439,437 -0.478,438 -0.587,439 -1.148,440 -0.437,441 0.671,442 -0.596,443 2.251,444 0.254,445 -0.715,446 -0.895,448 -1.81,449 -0.69,450 0.228,451 -0.76,452 2,453 0.011,454 -0.94,455 -1.106,457 -2.281,458 -0.895,459 10.4,460 0.473,461 0.575,462 0.026,463 28.5,464 1.295,465 14,466 0.636,467 14.5,468 0.659,469 17.562,470 0.798,471 24.4,472 0.555,473 19.573,474 0.89,475 5.218,476 0.237,477 5.378,478 0.244,479 0.163,481 0.375,485 1.233,486 1.34,487 0.942,488 1.039,489 1.361,490 0.964,491 0.656,492 1.08,493 0.809,494 1.023,495 0.379,496 0.95,497 1.057,498 1.058,499 0.937,500 0.953,501 0.778,502 0.932,503 0.84,504 1.226,505 0.955,506 1.154,507 0.738,508 1.083,509 1.373,510 1.309,511 1.355,512 1.322,513 1.583,514 1.334,515 0.849,516 0.892,517 0.989,518 0.994,519 1.007,520 1.008,521 0.815,522 0.691,523 0.818,524 0.749,525 1.006,526 0.779,527 1.059,528 1.14,529 0.975,530 1.031,531 0.921,532 0.997,533 4.5,534 0.058,535 2.667,536 2.215,537 1.378,538 0.9,539 0.509,540 0.296,541 0.126,542 0.11,543 4605,544 10271,545 2.043,546 50,547 3,548 7,551 6,552 2,553 4,555 1.647,556 1.886,557 3.071,558 3.652,559 1,560 1,562 1,564 62.598,565 1.423,566 3.462,567 4.391,568 4.715,569 4.715,570 4.715,571 2.556,572 4.005,573 4.431,574 3.221,575 744.163,576 7.624,577 7966.58,579 1,581 1,582 240.215,583 1.495,584 4.376,585 0.188,586 0.01,587 0.078,588 0.063,589 0.038,590 0.031,591 0.025,592 0.018,593 0.008,594 0.008,595 0.468,596 0.5,597 1,598 0.853,599 99.75,600 -0.187,601 -0.024,602 0.018,603 0.081,604 -0.25,605 0.077,606 0.263,607 0.085,608 0.147,609 0.064,610 0.301,611 0.086,612 -0.07,613 0.02,614 0.035,615 0.071,616 0.013,617 0.067,618 0.055,619 -0.123,621 -0.091,622 0.154,623 -0.059,624 -0.302,625 -0.212,626 -0.383,627 -0.322,628 -0.313,629 -0.357,630 0.075,631 -0.029,632 -0.01,633 -0.056,634 0.041,635 -0.046,636 0.163,637 0.134,638 0.176,639 0.158,640 0.001,641 0.167,642 0.005,643 -0.154,644 0.014,645 -0.076,646 0.046,647 -0.037,648 1.459,649 2.262,650 0.773,651 15.909,652 0.993,653 1.143,654 2.526,655 6.38,656 0.639,657 3.219,658 3.555,659 3.85,660 4.143,661 4.263,662 4.344,663 4.394,664 4.477,665 4.477,666 4.466,667 5.18,668 0.599,669 298.44,670 3.219,671 4.762,672 5.624,673 6.518,674 7.394,675 8.292,676 9.174,677 10.073,678 10.956,679 11.856,680 13.6,684 3,686 1,690 2,695 3,696 2,700 7,702 12,711 3,714 1,718 44,719 12,720 1,721 24,723 46,724 16,725 10,726 3,727 3,729 3,730 3,734 1,736 2,739 3,741 10,742 6,753 1,754 1,757 22,758 6,759 6,760 6,764 6,769 1,776 1,778 1,780 1,781 2,802 3,806 1,810 22,811 3,816 5,821 1,836 11.667,837 7.85,838 4.889,839 2.769,840 2.339,841 1.345,842 1.009,843 4.182,844 9.113,845 3.434,846 4.043,847 4.63,848 5.22,849 5.726,850 6.013,851 6.332,852 6.685,853 6.921,854 7.167,855 0.833,856 35,857 8.104,859 3.407,860 7.644,861 15.695,863 12.954,865 2.144,866 47.167,870 188.338,871 67.937,872 135.387,877 67.937,878 188.338,879 135.387,880 8.825,881 11.815,882 127.12,883 33.571,884 17.766,885 4.227,886 188.338,888 188.338,889 203.324,893 141.253,894 47.084,897 25.296,898 144.457,899 33.571,901 188.338,902 135.387,903 67.937,906 188.338,907 30.683,908 40.378,910 132.263,911 188.338,912 135.387,913 67.937,915 0.582,916 0.355,917 0.205,918 0.1,919 17,920 8,921 0.065,922 3,924 1,925 3.331,926 175.616,928 17,929 94.107,933 15.067,934 6.107,935 2.9,937 135.387,938 6.053,939 8.375,943 5.078,945 98.692,946 391.662,947 30,956 43.68,957 50.311,958 0.261,959 0.634,960 0.804,961 0.864,962 0.864,963 0.864,964 4.682,965 0.919,966 5.624,967 3.463,968 4.234,969 4.727,970 0.673,971 6.469,972 4.152,973 5.893,974 0.618,975 7.206,976 2.129,977 3.892,978 4.62,979 0.325,980 7.448,981 3.757,982 7.212,983 0.528,984 8.889,985 1.372,986 5.855,987 6.932,988 0.379,989 10.572,990 5.698,991 8.569,992 0.05,993 10.631,994 0.993,995 6.33,996 7.617,997 0.268,998 12.385,999 6.132,1000 9.957,1001 -0.252,1002 12.413,1003 0.11,1004 7.772,1005 9.438,1006 0.239,1007 15.03,1008 7.552,1009 11.367,1010 -0.478,1011 14.221,1012 -0.615,1013 8.616,1014 10.49,1015 0.188,1016 17.181,1017 8.364,1018 12.794,1019 -0.715,1020 16.049,1021 -1.148,1022 9.863,1023 12.107,1024 0.156,1025 19.66,1026 9.589,1027 3.182,1028 -0.94,1029 17.892,1030 -1.81,1031 10.873,1032 13.344,1033 0.125,1034 21.95,1035 10.571,1036 2.962,1037 11.084,1038 19.746,1039 -2.281,1040 12.048,1041 14.866,1042 0.102,1043 24.369,1044 11.724,1045 2.376,1046 9.926,1047 21.61,1048 4.257,1049 13.13,1050 16.196,1051 0.082,1052 26.715,1053 12.781,1054 2.103,1055 6.932,1056 23.481,1057 3.832,1058 14.279,1059 17.672,1060 0.066,1061 29.112,1062 13.908,1063 1.981,1064 5.862,1065 25.358,1066 3.047,1067 15.393,1068 19.052,1069 0.054,1070 31.483,1071 14.998,1072 1.696,1073 5.684,1074 27.239,1075 2.555,1076 16.535,1077 20.506,1078 0.043,1079 33.874,1080 16.117,1081 1.414,1082 4.758,1083 29.125,1084 2.485,1085 17.664,1086 21.912,1087 0.035,1088 36.256,1089 17.223,1090 4534,1091 6889,1092 15.72,1093 28.125,1094 35.555,1095 35.673,1096 37.5,1097 35.741,1098 35.659,1099 44.912,1100 1.6,1101 104.626,1102 34.182,1103 5.434,1104 5.282,1105 6.369,1106 5.228,1107 5.182,1108 7.257,1109 1.2,1110 18.044,1111 5.109,1112 11.321,1113 1.481,1114 1.486,1115 1.562,1116 1.489,1117 1.486,1118 1.871,1119 0.067,1120 4.359,1121 1.424,1122 4.035,1123 4.074,1124 3.993,1125 3.945,1126 5.287,1127 3.951,1128 3.845,1129 3.906,1130 3.778,1131 3.686,1132 5.096,1133 3.699,1134 3.672,1135 3.73,1136 3.557,1137 3.542,1138 4.978,1139 3.538,1140 3.392,1141 3.485,1142 3.204,1143 3.191,1144 4.542,1145 3.184,1146 3.119,1147 3.228,1148 3.009,1149 2.876,1150 4.395,1151 2.9,1152 3.019,1153 3.133,1154 2.858,1155 2.798,1156 4.217,1157 2.798,1158 2.886,1159 2.98,1160 2.734,1161 2.671,1162 3.965,1163 2.639,1164 2.869,1165 2.979,1166 2.583,1167 2.615,1168 3.613,1169 2.635,1170 0.189,1171 0.137,1172 0.282,1173 0.173,1174 0.133,1175 4.538,1176 0.177,1177 3.282,1178 0.033,1179 6.773,1180 0.462,1181 4.157,1182 0.13,1183 3.182,1184 4.257,1185 0.8,1186 11.084,1187 3.109,1188 1.967,1189 1.941,1190 2.045,1191 2.076,1192 1.211,1193 2.067,1194 1.728,1195 1.679,1196 1.879,1197 1.91,1198 1.21,1199 1.897,1200 1.577,1201 1.507,1202 1.86,1203 1.751,1204 1.065,1205 1.793,1206 1.4,1207 1.318,1208 1.662,1209 1.637,1210 0.895,1211 1.662,1212 1.342,1213 1.258,1214 1.581,1215 1.591,1216 0.584,1217 1.599,1218 1.013,1219 0.923,1220 1.287,1221 1.377,1222 0.19,1223 1.361,1224 0.961,1225 0.871,1226 1.258,1227 1.297,1228 0.131,1229 1.3,1230 0.782,1231 0.676,1232 1.121,1233 1.086,1234 0.094,1235 1.107,1236 3.892,1238 5.22,1239 2.398,1240 6.749,1241 4.443,1242 8.377,1243 6.293,1244 10.057,1246 2.021,1250 18.005,1252 5.313,1257 2.322,1262 26.343,1263 62.598,1264 152.335,1265 193.195,1266 207.46,1267 207.46,1268 207.46,1269 31.572,1270 6.774,1271 107.08,1272 107.08,1273 17,1274 12.381,1275 3.7,1276 2.807,1277 34.396,1278 68,1279 60,1280 0.255,1281 165.269,1282 276.64,1283 395.017,1284 6643,1286 15.69,1287 0.713,1288 0.584,1289 15.69,1290 12.841,1291 10.597,1292 0.442,1293 0.319,1294 7.578,1295 10.26,1296 7.393,1297 6.158,1298 10.597,1299 7.665,1300 9.558,1301 0.281,1302 0.165,1303 9.558,1304 5.61,1305 8.031,1306 0.175,1307 0.09,1308 8.031,1309 4.127,1310 7.212,1311 0.116,1312 0.05,1313 7.212,1314 3.073,1315 5.063,1316 0.072,1317 0.025,1318 5.063,1319 1.756,1320 0.389,1321 65.837,1322 0.252,1323 21.372,1324 0.734,1325 116,1326 276.872,1327 125.825,1328 280.28,1329 396.43,1330 262,1331 138,1332 309.986,1333 147.686,1334 316.291,1335 464.86,1336 299,1337 4.602}
{0 CHEMBL83660,1 1.541,2 10.941,3 5.31,4 28.193,5 137.716,6 7.576,7 0.649,8 4.186,9 4.315,10 3.762,11 3.741,12 5.377,13 3.72,14 4.668,15 4.835,16 4.102,17 4.121,18 5.893,19 4.077,20 4.917,21 5.116,22 4.196,23 4.276,24 5.962,25 4.214,26 5.047,27 5.258,28 4.262,29 4.328,30 6.143,31 4.262,32 5.146,33 5.359,34 4.301,35 4.413,36 6.256,37 4.346,38 5.253,39 5.487,40 4.317,41 4.453,42 6.359,43 4.371,44 5.177,45 5.395,46 4.372,47 4.397,48 6.463,49 4.334,50 5.134,51 5.347,52 4.179,53 4.273,54 6.381,55 4.209,56 0.146,57 0.912,58 11.748,59 4.978,60 15.346,61 6.669,62 0.281,63 1.412,64 20.607,65 8.619,66 51.331,67 11.627,68 0.186,69 1.751,70 27.757,71 10.667,72 31.156,73 14.879,74 0.376,75 1.93,76 32.895,77 11.918,78 51.09,79 16.715,80 0.371,81 2.114,82 36.538,83 12.472,84 66.945,85 17.325,86 0.561,87 2.193,88 43.358,89 15.236,90 96.837,91 20.852,92 0.616,93 2.055,94 38.934,95 14.132,96 100.414,97 19.546,98 0.563,99 1.851,100 38.741,101 13.001,102 109.324,103 16.858,104 30,105 51,106 0.246,107 0.552,108 0.676,109 0.766,110 0.781,111 0.781,112 3.561,113 0.891,114 -6.12,115 -5.96,116 -5.54,119 43.3,120 1,121 1,125 2,139 13,140 4,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 17,169 2,170 7,172 3,173 3,175 1,178 17,180 1,181 1,182 13,187 1,189 10,191 1,192 2,193 16,195 1,196 1,197 1,198 5,200 2,201 6,204 5,205 1,207 12,212 4,215 15,218 4,220 2,221 9,223 1,224 1,226 2,229 23,231 2,233 6,234 16,236 3,237 3,239 1,241 26,243 1,246 13,248 1,249 1,254 20,260 8,262 3,263 3,265 2,268 12,270 2,273 2148,274 23.007,275 23.007,276 23.007,277 23.007,278 23.007,279 19.735,280 26.809,281 13.726,282 23.329,283 18.238,284 18.238,285 18.238,286 18.238,287 18.238,288 13.426,289 37.494,290 6.467,291 18.777,292 4.366,293 2.446,294 1.673,295 1.104,296 1.013,297 1.013,298 4.255,302 1,303 795,304 3.674,307 497.732,314 1.779,315 33.426,318 0.75,319 0.67,320 1,321 0.6,323 1,324 1,325 0.72,326 73,327 372,328 4.572,329 3.817,330 6.792,331 4.183,332 3.209,333 4.306,334 2.612,335 11.162,336 3.129,337 4.383,338 3.246,339 6.623,340 3.996,341 3.039,342 4.043,343 0.995,344 10.56,345 2.907,346 3.969,347 3.191,348 5.736,349 3.598,350 2.621,351 3.48,352 0.359,353 7.861,354 2.563,355 3.873,356 2.67,357 5.33,358 3.471,359 2.473,360 3.43,362 6.953,363 2.468,364 3.708,365 2.612,366 5.325,367 3.236,368 2.294,369 3.176,371 6.711,372 2.16,373 3.592,374 2.376,375 5.184,376 3.11,377 2.148,378 2.933,380 6.138,381 2.061,382 3.303,383 2.227,384 5.038,385 2.935,386 1.987,387 2.552,389 5.703,390 1.879,391 3.201,392 2.003,393 4.774,394 2.757,395 1.805,396 2.435,398 5.009,399 1.712,400 2.938,401 1.698,402 4.256,403 2.5,404 1.51,405 2.105,407 3.704,408 1.493,409 2.897,410 1.558,411 3.618,412 2.461,413 1.463,414 2.063,415 3.098,416 1.46,417 2.623,418 1.414,419 3.618,420 2.103,421 1.131,422 1.607,423 2.764,424 1.097,425 2.5,426 1.173,427 3.519,428 2,429 1,430 1.5,431 2.423,432 1,433 2.5,434 1,435 3.324,436 2,437 1,438 1.5,439 2.136,440 1,441 2.463,442 1,443 3.247,444 2,445 1,446 1.453,448 2.136,449 1,450 1.716,451 1,452 3.247,453 1.525,454 0.543,455 0.614,457 1.038,458 0.532,459 16.067,460 0.473,461 0.801,462 0.024,463 50,464 1.471,465 28.5,466 0.838,467 21.5,468 0.632,469 26.543,470 0.781,471 35.533,472 0.592,473 42.6,474 1.253,475 9.938,476 0.292,477 6.519,478 0.192,479 0.122,481 0.33,485 0.593,486 1.126,487 0.784,488 0.929,489 0.686,490 0.885,491 0.498,492 1.015,493 0.801,494 0.997,495 0.359,496 0.951,497 0.744,498 1.185,499 0.916,500 1.087,501 0.561,502 1.029,503 0.828,504 1.158,505 0.945,506 1.082,507 0.744,508 1.038,509 1.19,510 1.08,511 1.114,512 1.05,513 1.052,514 1.052,515 1.211,516 0.873,517 0.977,518 0.913,519 1.378,520 0.919,521 0.809,522 0.942,523 0.85,524 1.032,525 0.885,526 0.965,527 1.861,528 0.963,529 1.156,530 1.005,531 2.097,532 1.002,533 6.5,534 0.165,535 3.111,536 2.813,537 2.08,538 1.465,539 1.136,540 0.705,541 0.483,542 0.396,543 15041,544 40617,545 2.059,546 43.3,547 3,548 17,551 4,552 2,555 1.768,556 1.925,557 3.384,558 1.516,564 92.481,565 1.541,566 3.461,567 4.234,568 4.802,569 4.894,570 4.894,571 2.881,572 4.382,573 5.058,574 3.599,575 2018.78,576 8.92,577 30203.3,582 354.413,583 1.419,584 5.016,585 0.176,586 0.005,587 0.061,588 0.051,589 0.036,590 0.025,591 0.019,592 0.011,593 0.01,594 0.011,595 0.405,597 0.88,598 0.797,599 179.297,600 0.135,601 0.056,602 0.036,603 0.082,604 -0.075,605 0.049,606 0.25,607 0.085,608 0.07,609 0.018,610 0.26,611 0.015,612 -0.017,613 -0.123,614 -0.01,615 -0.089,616 -0.001,617 -0.054,618 0.081,619 -0.122,620 0.002,621 -0.103,622 0.053,623 -0.071,624 -0.185,625 -0.026,626 -0.159,627 -0.09,628 -0.116,629 -0.107,630 -0.077,631 0.079,632 0.028,633 0.078,634 -0.143,635 0.068,636 0.311,637 0.033,638 0.138,639 -0.041,640 0.279,641 0.013,642 -0.247,643 -0.034,644 -0.114,645 -0.027,646 -0.203,647 -0.05,648 2.359,649 5.205,650 0.706,651 34.118,652 1.002,653 1.126,654 4.886,655 23.875,656 0.676,657 3.638,658 3.951,659 4.22,660 4.511,661 4.745,662 4.812,663 4.977,664 5.1,665 5.215,666 5.273,667 6.817,668 0.647,669 454.58,670 3.638,671 5.176,672 6.023,673 6.905,674 7.773,675 8.662,676 9.54,677 10.434,678 11.318,679 12.214,680 10,684 2,686 1,690 2,691 1,695 13,696 2,700 9,702 24,711 2,713 1,714 1,718 60,719 26,720 3,721 37,723 63,724 26,725 22,726 5,727 13,729 4,730 4,734 1,739 1,741 22,742 4,744 2,746 1,748 2,757 26,758 7,759 4,760 8,764 6,769 1,770 2,776 1,781 4,802 4,806 1,810 34,811 2,816 3,821 1,829 3.3,835 2,836 17.667,837 10.883,838 7.583,839 3.525,840 3.305,841 1.431,842 0.998,843 7.167,844 10.971,845 3.951,846 4.564,847 5.118,848 5.698,849 6.241,850 6.444,851 6.875,852 7.257,853 7.684,854 8.019,855 1,856 55,857 12.549,859 5.324,860 7.838,861 23.645,863 19.105,865 2.338,866 79.5,870 258.964,871 164.002,872 108.16,874 50.747,877 164.002,878 309.711,879 108.16,880 14.495,881 6.746,882 188.986,883 33.571,884 24.137,885 4.227,886 258.964,887 50.747,888 258.964,889 272.162,890 50.747,893 258.964,895 50.747,897 20.227,898 212.694,899 39.241,901 258.964,902 158.907,903 164.002,906 258.964,907 31.985,908 140.811,910 150.112,911 258.964,912 158.907,913 164.002,915 0.574,916 0.336,917 0.192,918 0.108,919 23,920 11,921 0.127,922 8,924 1,925 4.288,926 326.045,928 24,929 148.974,933 23.369,934 10.428,935 5.419,937 153.237,938 24.944,939 8.345,943 4.725,945 65.794,946 581.873,947 51,949 -0.359,951 24.409,956 60.101,957 67.561,958 0.261,959 0.586,960 0.717,961 0.813,962 0.829,963 0.829,964 5.17,965 1.805,966 6.004,967 5.703,968 4.635,969 5.252,970 2.657,971 6.817,972 4.577,973 6.384,974 1.51,975 7.561,976 5.009,977 4.205,978 5.027,979 2.396,980 7.732,981 4.098,982 7.69,983 1.463,984 9.22,985 3.704,986 6.221,987 7.448,988 4.177,989 10.859,990 6.101,991 9.031,992 1.131,993 10.942,994 3.098,995 6.608,996 8.018,997 4.514,998 12.636,999 6.442,1000 10.402,1001 1,1002 12.705,1003 2.764,1004 8.097,1005 9.916,1006 5.951,1007 15.286,1008 7.917,1009 11.796,1010 1,1011 14.498,1012 2.423,1013 8.876,1014 10.88,1015 6.557,1016 17.426,1017 8.654,1018 13.209,1019 1,1020 16.313,1021 2.136,1022 10.149,1023 12.544,1024 7.795,1025 19.91,1026 9.909,1027 3.209,1028 0.543,1029 18.145,1030 2.136,1031 11.12,1032 13.72,1033 8.548,1034 22.202,1035 10.841,1036 3.039,1037 11.162,1038 19.992,1039 1.038,1040 12.306,1041 15.269,1042 9.67,1043 24.628,1044 12.006,1045 2.621,1046 10.56,1047 21.849,1048 4.306,1049 13.369,1050 16.564,1051 10.509,1052 26.981,1053 13.034,1054 2.473,1055 7.861,1056 23.715,1057 4.043,1058 14.524,1059 18.055,1060 11.563,1061 29.386,1062 14.163,1063 2.294,1064 6.953,1065 25.589,1066 3.48,1067 15.631,1068 19.416,1069 12.452,1070 31.764,1071 15.238,1072 2.148,1073 6.711,1074 27.468,1075 3.43,1076 16.776,1077 20.88,1078 13.468,1079 34.163,1080 16.357,1081 1.987,1082 6.138,1083 29.353,1084 3.176,1085 17.904,1086 22.278,1087 14.386,1088 36.552,1089 17.455,1090 14494,1091 24013,1092 24.561,1093 40.557,1094 55.126,1095 56.094,1096 56.659,1097 54.643,1098 54.574,1099 74.55,1100 7.932,1101 155.062,1102 53.043,1103 5.431,1104 5.817,1105 6.594,1106 5.253,1107 5.209,1108 7.306,1109 4.612,1110 18.27,1111 5.129,1112 17.225,1113 1.49,1114 1.516,1115 1.531,1116 1.477,1117 1.475,1118 2.015,1119 0.214,1120 4.191,1121 1.434,1122 4.078,1123 4.11,1124 4.044,1125 3.974,1126 7.815,1127 3.983,1128 3.922,1129 3.958,1130 3.86,1131 3.849,1132 6.999,1133 3.846,1134 3.872,1135 3.903,1136 3.796,1137 3.819,1138 5.285,1139 3.809,1140 3.821,1141 3.865,1142 3.79,1143 3.639,1144 4.98,1145 3.664,1146 3.477,1147 3.512,1148 3.439,1149 3.215,1150 4.791,1151 3.207,1152 3.394,1153 3.485,1154 3.244,1155 3.17,1156 4.73,1157 3.18,1158 3.349,1159 3.416,1160 3.204,1161 3.03,1162 4.653,1163 3.124,1164 3.074,1165 3.193,1166 2.942,1167 2.898,1168 4.406,1169 2.879,1170 0.124,1171 0.103,1172 0.184,1173 0.113,1174 0.087,1175 4.572,1176 0.116,1177 3.817,1178 0.071,1179 6.792,1180 0.302,1181 4.183,1182 0.085,1183 3.209,1184 4.306,1185 2.612,1186 11.162,1187 3.129,1188 1.997,1189 1.97,1190 2.087,1191 2.132,1192 1.261,1193 2.109,1194 1.913,1195 1.883,1196 2.019,1197 2.016,1198 1.167,1199 2.02,1200 1.887,1201 1.858,1202 2.017,1203 1.964,1204 1.11,1205 1.984,1206 1.728,1207 1.685,1208 1.871,1209 1.945,1210 1.019,1211 1.904,1212 1.392,1213 1.311,1214 1.64,1215 1.657,1216 0.768,1217 1.659,1218 1.329,1219 1.259,1220 1.552,1221 1.631,1222 0.583,1223 1.581,1224 1.186,1225 1.152,1226 1.33,1227 1.525,1228 0.53,1229 1.51,1230 1.039,1231 0.977,1232 1.285,1233 1.359,1234 0.218,1235 1.344,1236 4.317,1238 5.631,1240 7.146,1242 8.755,1244 10.415,1246 1.926,1250 11.9,1252 1.6,1257 2.01,1262 38.826,1263 92.481,1264 207.673,1265 254.043,1266 288.149,1267 293.659,1268 293.659,1269 68.756,1270 7.666,1271 126.88,1272 126.88,1273 24,1274 12.742,1275 4.755,1276 3.907,1277 56.373,1278 136,1279 136,1280 0.198,1281 241.3,1282 414.58,1283 580.532,1284 20367,1286 24.079,1287 0.708,1288 0.555,1289 24.079,1290 18.887,1291 16.457,1292 0.445,1293 0.297,1294 10.872,1295 15.916,1296 10.601,1297 8.856,1298 16.457,1299 10.994,1300 14.684,1301 0.288,1302 0.155,1303 14.684,1304 7.93,1305 11.928,1306 0.178,1307 0.084,1308 11.928,1309 5.598,1310 10.427,1311 0.116,1312 0.045,1313 10.427,1314 4.043,1315 8.474,1316 0.074,1317 0.024,1318 8.474,1319 2.772,1320 0.304,1321 102.608,1322 0.202,1323 30.926,1324 0.565,1325 176,1326 504.676,1327 190.974,1328 500.926,1329 684.29,1330 464,1331 206,1332 516.506,1333 221.006,1334 523.352,1335 757.38,1336 491,1337 6.585}
{0 CHEMBL83883,1 1.42,2 10.76,3 2.732,4 7.462,5 106.244,6 7.116,7 0.667,8 3.936,9 4.088,10 3.448,11 3.466,12 5.091,13 3.439,14 4.397,15 4.584,16 3.783,17 3.837,18 5.498,19 3.779,20 4.635,21 4.853,22 3.86,23 3.968,24 5.667,25 3.895,26 4.709,27 4.936,28 3.825,29 3.981,30 5.759,31 3.886,32 4.794,33 5.05,34 3.736,35 3.981,36 5.811,37 3.867,38 4.782,39 5.069,40 3.639,41 3.903,42 5.77,43 3.764,44 4.627,45 4.911,46 3.442,47 3.74,48 5.606,49 3.593,50 4.465,51 4.764,52 3.168,53 3.528,54 5.37,55 3.364,56 0.076,57 0.742,58 10.244,59 3.666,60 13.794,61 5.364,62 0.172,63 1.111,64 16.896,65 6.65,66 21.885,67 9.524,68 0.181,69 1.336,70 22.29,71 7.651,72 24.723,73 11.526,74 0.219,75 1.402,76 24.267,77 8.174,78 34.476,79 12.389,80 0.277,81 1.449,82 27.381,83 8.281,84 45.481,85 12.985,86 0.313,87 1.347,88 27.889,89 9.066,90 51.559,91 13.972,92 0.292,93 1.153,94 23.826,95 7.603,96 43.449,97 11.731,98 0.225,99 0.942,100 20.554,101 6.372,102 36.953,103 9.998,104 18,105 37,106 0.242,107 0.592,108 0.748,109 0.856,110 0.866,111 0.866,112 3.267,113 0.909,114 -4.24,115 -4.18,116 -3.95,119 40.4,120 1,121 1,125 1,139 8,140 3,141 2,143 1,144 1,147 1,157 3,158 3,159 3,166 11,169 1,170 3,172 3,173 3,175 4,178 11,180 2,182 3,186 1,187 7,188 1,189 7,191 3,193 5,195 1,196 1,197 1,198 10,200 2,201 4,204 7,205 1,207 3,212 7,215 7,218 5,223 2,224 2,225 1,226 5,228 2,229 8,231 5,232 1,237 2,238 1,239 5,240 1,241 8,243 4,250 1,251 2,253 2,254 6,256 1,258 1,260 2,264 1,265 1,267 1,268 4,270 1,273 860,274 16.87,275 16.87,276 16.87,277 16.87,278 16.87,279 14.576,280 20.793,281 9.986,282 17.119,283 13.26,284 13.26,285 13.26,286 13.26,287 13.26,288 9.848,289 28.957,290 4.659,291 13.687,292 4.135,293 2.086,294 1.171,295 0.543,296 0.484,297 0.484,298 3.947,300 1,301 1,302 1,303 571,304 2.646,307 262.093,314 1.888,315 18.728,317 1,318 0.75,319 0.83,320 0.83,321 0.5,323 0.83,324 1,325 0.68,326 53,327 269,328 4.532,329 3.249,330 6.769,331 4.147,332 3.17,333 4.253,334 0.657,335 11.071,336 3.101,337 4.164,338 2.957,339 6.044,340 3.764,341 2.798,342 3.784,344 8.652,345 2.701,346 3.889,347 2.696,348 5.35,349 3.495,350 2.501,351 3.441,353 6.967,354 2.486,355 3.618,356 2.352,357 5.3,358 3.198,359 2.261,360 2.997,362 6.646,363 2.117,364 3.3,365 2.223,366 5.038,367 2.933,368 1.985,369 2.549,371 5.703,372 1.878,373 3.123,374 1.891,375 4.772,376 2.71,377 1.759,378 2.345,380 5.016,381 1.667,382 2.935,383 1.69,384 4.192,385 2.53,386 1.55,387 2.103,389 3.794,390 1.518,391 2.83,392 1.512,393 3.635,394 2.4,395 1.414,396 1.962,398 3.122,399 1.391,400 2.5,401 1,402 3.36,403 2,404 1,405 1.5,407 2.136,408 1,409 1.982,410 0.933,411 3.247,412 1.728,413 0.77,414 0.903,415 1.767,416 0.736,417 1.685,418 0.631,419 3.124,420 1.488,421 0.51,422 0.58,423 0.955,424 0.498,425 1.329,426 0.218,427 2.744,428 1.03,429 0.076,430 0.091,431 0.163,432 0.072,433 1.103,434 0.002,435 2.492,436 0.768,437 -0.181,438 -0.22,439 -0.444,440 -0.172,441 0.826,442 -0.305,443 2.397,444 0.439,445 -0.478,446 -0.587,448 -1.148,449 -0.437,450 0.751,451 -0.417,452 2.252,453 0.365,454 -0.61,455 -0.774,457 -1.429,458 -0.594,459 11.9,460 0.476,461 0.592,462 0.024,463 35.75,464 1.43,465 20,466 0.8,467 15.75,468 0.63,469 17.587,470 0.703,471 26.5,472 0.564,473 25.864,474 1.035,475 7.057,476 0.282,477 5.022,478 0.201,479 0.143,481 0.336,485 1.277,486 1.124,487 0.913,488 0.891,489 1.412,490 0.861,491 0.557,492 1.039,493 0.805,494 1.03,495 0.476,496 0.962,497 1.019,498 1.167,499 0.953,500 1.046,501 0.862,502 1,503 1.024,504 1.248,505 1.085,506 1.198,507 0.852,508 1.157,509 1.393,510 1.102,511 1.198,512 1.07,513 1.409,514 1.103,515 0.864,516 0.899,517 0.936,518 0.943,519 0.921,520 0.947,521 0.973,522 0.902,523 1.052,524 1,525 1.198,526 1.03,527 1.053,528 0.905,529 1.041,530 0.961,531 1.05,532 0.994,533 5,534 0.083,535 2.667,536 2,537 1.489,538 0.993,539 0.567,540 0.283,541 0.18,542 0.156,543 7157,544 17662,545 2.038,546 46.8,547 3,548 10,551 7,552 2,555 1.678,556 1.899,557 3.351,558 4.378,559 1,560 1,564 66.738,565 1.42,566 3.468,567 4.384,568 5.012,569 5.07,570 5.07,571 2.873,572 4.324,573 4.612,574 3.546,575 1063.73,576 7.967,577 12986.8,579 1,581 1,582 261.066,583 1.44,584 4.569,585 0.185,586 0.005,587 0.072,588 0.051,589 0.041,590 0.031,591 0.02,592 0.012,593 0.011,594 0.011,595 0.44,597 1,598 0.795,599 121.224,600 -0.23,601 0.108,602 -0.005,603 0.144,604 -0.329,605 0.105,606 0.299,607 0.08,608 0.112,609 0.022,610 0.241,611 0.04,612 -0.037,613 -0.094,614 -0.005,615 -0.042,616 -0.034,617 -0.023,618 -0.011,619 -0.193,620 -0.13,621 -0.21,622 0.059,623 -0.189,624 -0.262,625 -0.081,626 -0.215,627 -0.122,628 -0.235,629 -0.156,630 0.1,631 0.026,632 0.059,633 0.025,634 0.117,635 0.035,636 0.048,637 0.039,638 -0.056,639 -0.043,640 -0.08,641 -0.06,642 -0.049,643 -0.001,644 -0.035,645 -0.011,646 -0.038,647 -0.019,648 1.479,649 2.226,650 0.72,651 23.264,652 0.993,653 1.134,654 3.006,655 9.036,656 0.662,657 3.332,658 3.638,659 3.892,660 4.143,661 4.331,662 4.344,663 4.369,664 4.443,665 4.466,666 4.511,667 6.33,668 0.624,669 334.47,670 3.332,671 4.86,672 5.7,673 6.572,674 7.43,675 8.308,676 9.172,677 10.054,678 10.922,679 11.806,680 12.8,684 3,685 1,690 2,695 8,696 2,700 8,702 18,711 3,712 1,718 47,719 18,720 2,721 27,723 49,724 19,725 16,726 4,727 8,729 3,730 3,734 1,739 1,741 16,742 3,753 1,754 1,757 22,758 6,759 7,760 6,764 6,769 1,776 1,781 3,802 3,806 1,810 25,811 3,816 2,817 1,836 13.167,837 8.317,838 5.611,839 2.693,840 3.217,841 1.458,842 1.013,843 5.17,844 10.234,845 3.611,846 4.227,847 4.798,848 5.364,849 5.891,850 6.066,851 6.358,852 6.717,853 7.029,854 7.344,855 1,856 39,857 9.165,859 3.796,860 7.693,861 17.481,863 13.986,865 2.193,866 54.833,869 1,870 176.567,871 111.329,872 150.273,877 111.329,878 176.567,879 150.273,880 8.825,881 4.64,882 174.502,883 51.582,884 17.827,885 4.227,886 176.567,888 176.567,889 261.603,893 176.567,897 18.121,898 191.9,899 51.582,901 176.567,902 150.273,903 111.329,906 176.567,907 26.694,908 84.635,909 18.011,910 132.263,911 176.567,912 150.273,913 111.329,915 0.575,916 0.34,917 0.188,918 0.101,919 17,920 8,921 0.102,922 5,924 1,925 3.687,926 201.106,928 18,929 112.096,933 17.208,934 7.511,935 3.898,937 150.273,938 15.958,939 8.362,943 5.758,945 116.702,946 438.169,947 36,956 46.68,957 53.311,958 0.256,959 0.624,960 0.789,961 0.902,962 0.913,963 0.913,964 4.824,965 1.414,966 5.68,967 3.794,968 4.317,969 4.913,970 0.623,971 6.479,972 4.256,973 6.037,974 1,975 7.232,976 3.122,977 3.892,978 4.691,980 7.372,981 3.794,982 7.343,983 0.77,984 8.885,985 2.136,986 5.894,987 7.117,988 0.317,989 10.474,990 5.78,991 8.685,992 0.51,993 10.598,994 1.767,995 6.275,996 7.678,998 12.224,999 6.131,1000 10.056,1001 0.076,1002 12.351,1003 0.955,1004 7.754,1005 9.587,1006 0.149,1007 14.857,1008 7.594,1009 11.449,1010 -0.181,1011 14.133,1012 0.163,1013 8.523,1014 10.539,1016 16.979,1017 8.338,1018 12.86,1019 -0.478,1020 15.936,1021 -0.444,1022 9.788,1023 12.21,1024 0.067,1025 19.454,1026 9.586,1027 3.17,1028 -0.61,1029 17.758,1030 -1.148,1031 10.747,1032 13.375,1034 21.737,1035 10.522,1036 2.798,1037 11.071,1038 19.593,1039 -1.429,1040 11.925,1041 14.927,1042 0.03,1043 24.159,1044 11.682,1045 2.501,1046 8.652,1047 21.44,1048 4.253,1049 12.977,1050 16.21,1052 26.51,1053 12.711,1054 2.261,1055 6.967,1056 23.297,1057 3.784,1058 14.124,1059 17.7,1060 0.013,1061 28.915,1062 13.838,1063 1.985,1064 6.646,1065 25.163,1066 3.441,1067 15.22,1068 19.051,1070 31.295,1071 14.912,1072 1.759,1073 5.703,1074 27.035,1075 2.997,1076 16.358,1077 20.511,1078 0.006,1079 33.696,1080 16.03,1081 1.55,1082 5.016,1083 28.913,1084 2.549,1085 17.477,1086 21.899,1088 36.089,1089 17.127,1090 6988,1091 11091,1092 17.8,1093 31.125,1094 39.787,1095 39.718,1096 41.376,1097 39.646,1098 39.59,1099 53.017,1100 1.315,1101 111.983,1102 38.332,1103 5.359,1104 5.249,1105 6.571,1106 5.218,1107 5.17,1108 7.253,1109 1.315,1110 17.961,1111 5.101,1112 12.578,1113 1.474,1114 1.471,1115 1.532,1116 1.468,1117 1.466,1118 1.964,1119 0.049,1120 4.148,1121 1.42,1122 4.028,1123 4.065,1124 3.988,1125 3.944,1126 5.288,1127 3.949,1128 3.899,1129 3.936,1130 3.831,1131 3.835,1132 5.1,1133 3.829,1134 3.765,1135 3.816,1136 3.713,1137 3.623,1138 4.978,1139 3.64,1140 3.393,1141 3.486,1142 3.204,1143 3.197,1144 4.757,1145 3.187,1146 3.277,1147 3.359,1148 3.153,1149 3.09,1150 4.539,1151 3.094,1152 3.1,1153 3.214,1154 2.969,1155 2.853,1156 4.386,1157 2.872,1158 3.019,1159 3.132,1160 2.858,1161 2.793,1162 4.041,1163 2.794,1164 2.854,1165 2.942,1166 2.702,1167 2.735,1168 3.965,1169 2.715,1170 0.168,1171 0.12,1172 0.251,1173 0.154,1174 0.117,1175 4.532,1176 0.158,1177 3.249,1178 0.024,1179 6.769,1180 0.41,1181 4.147,1182 0.115,1183 3.17,1184 4.253,1185 0.657,1186 11.071,1187 3.101,1188 1.973,1189 1.945,1190 2.065,1191 2.081,1192 1.207,1193 2.075,1194 1.9,1195 1.871,1196 2.017,1197 1.996,1198 1.144,1199 2.005,1200 1.715,1201 1.667,1202 1.87,1203 1.883,1204 1.01,1205 1.877,1206 1.385,1207 1.3,1208 1.632,1209 1.634,1210 0.693,1211 1.656,1212 1.248,1213 1.174,1214 1.5,1215 1.483,1216 0.571,1217 1.494,1218 1.017,1219 0.931,1220 1.287,1221 1.374,1222 0.218,1223 1.36,1224 0.964,1225 0.879,1226 1.258,1227 1.297,1228 0.19,1229 1.3,1230 0.886,1231 0.821,1232 1.181,1233 1.093,1234 0.137,1235 1.114,1236 4.007,1238 5.313,1240 6.823,1242 8.429,1244 10.084,1246 2.004,1250 17.985,1252 1.415,1253 3.353,1262 29.343,1263 66.738,1264 163.008,1265 206.046,1266 235.556,1267 238.311,1268 238.311,1269 37.606,1270 7.017,1271 115.87,1272 115.87,1273 18,1274 12.343,1275 4.248,1276 3.322,1277 41.905,1278 96,1279 95,1280 0.219,1281 185.264,1282 309.72,1283 443.804,1284 9936,1286 17.811,1287 0.712,1288 0.566,1289 17.811,1290 14.159,1291 12.08,1292 0.447,1293 0.303,1294 8.098,1295 11.777,1296 7.879,1297 6.608,1298 12.08,1299 8.177,1300 10.691,1301 0.289,1302 0.156,1303 10.691,1304 5.783,1305 8.807,1306 0.183,1307 0.084,1308 8.807,1309 4.03,1310 7.52,1311 0.121,1312 0.045,1313 7.52,1314 2.789,1315 5.791,1316 0.077,1317 0.024,1318 5.791,1319 1.825,1320 0.344,1321 74.615,1322 0.237,1323 24.428,1324 0.596,1325 128,1326 315.56,1327 137.131,1328 323.448,1329 453.96,1330 302,1331 149,1332 348.859,1333 157.687,1334 359.501,1335 521.65,1336 339,1337 6.301}
{0 CHEMBL83991,1 1.404,2 10.769,3 3.109,4 9.667,5 110.662,6 6.97,7 0.643,8 3.991,9 4.144,10 3.485,11 3.519,12 5.129,13 3.487,14 4.464,15 4.656,16 3.835,17 3.896,18 5.542,19 3.834,20 4.719,21 4.941,22 3.929,23 4.048,24 5.736,25 3.973,26 4.807,27 5.031,28 3.921,29 4.1,30 5.842,31 4.001,32 4.926,33 5.179,34 3.85,35 4.127,36 5.926,37 4.002,38 4.938,39 5.227,40 3.7,41 4.04,42 5.902,43 3.88,44 4.774,45 5.082,46 3.482,47 3.83,48 5.68,49 3.662,50 4.498,51 4.791,52 3.252,53 3.595,54 5.399,55 3.439,56 0.08,57 0.78,58 11.136,59 4.002,60 14.987,61 5.916,62 0.179,63 1.179,64 18.487,65 7.235,66 24.131,67 10.456,68 0.217,69 1.444,70 24.696,71 8.266,72 28.286,73 12.62,74 0.231,75 1.548,76 26.977,77 9.356,78 37.984,79 14.153,80 0.284,81 1.646,82 31.277,83 9.946,84 49.137,85 15.516,86 0.353,87 1.547,88 32.575,89 10.668,90 60.664,91 16.5,92 0.33,93 1.27,94 28.096,95 8.996,96 48.983,97 14.019,98 0.224,99 0.987,100 21.021,101 6.629,102 37.399,103 10.391,104 27,105 39,106 0.237,107 0.584,108 0.737,109 0.856,110 0.866,111 0.866,112 3.304,113 0.924,114 -4.46,115 -4.39,116 -4.14,119 40,120 2,121 1,127 1,139 8,140 3,141 2,143 1,144 1,147 1,157 3,158 3,159 3,166 11,169 1,170 3,172 3,173 3,175 5,178 12,180 2,182 3,186 1,187 7,188 1,189 9,191 3,193 5,195 1,196 1,197 1,198 10,200 2,201 7,204 7,205 1,207 3,212 8,215 10,218 6,223 2,224 2,225 1,226 5,228 2,229 9,231 5,232 1,237 2,238 1,239 5,240 1,241 9,243 4,250 1,251 2,253 2,254 6,256 1,258 1,260 4,264 1,265 2,267 1,268 5,270 2,273 900,274 17.37,275 17.37,276 17.37,277 17.37,278 17.37,279 15.1,280 21.755,281 10.18,282 17.625,283 13.738,284 13.738,285 13.738,286 13.738,287 13.738,288 10.359,289 31.404,290 4.733,291 14.177,292 4.24,293 2.179,294 1.275,295 0.565,296 0.51,297 0.51,298 3.982,301 1,302 1,303 592,304 3,307 275.682,314 1.822,315 19.498,317 1,318 0.75,319 0.83,320 0.83,321 0.7,322 0.5,323 0.83,324 1,325 0.78,326 55,327 280,328 4.533,329 3.256,330 6.769,331 4.149,332 3.172,333 4.253,334 0.657,335 11.071,336 3.102,337 4.194,338 3.144,339 6.152,340 3.858,341 2.888,342 3.792,344 9.027,345 2.804,346 4.008,347 2.819,348 5.913,349 3.645,350 2.662,351 3.527,353 8.205,354 2.612,355 3.619,356 2.352,357 5.314,358 3.198,359 2.261,360 2.999,362 6.663,363 2.119,364 3.301,365 2.223,366 5.038,367 2.934,368 1.986,369 2.55,371 5.704,372 1.878,373 3.172,374 1.94,375 4.777,376 2.794,377 1.827,378 2.387,380 5.055,381 1.767,382 3.059,383 1.792,384 4.367,385 2.657,386 1.689,387 2.255,389 4.207,390 1.627,391 2.832,392 1.54,393 4.027,394 2.408,395 1.428,396 1.963,398 3.504,399 1.397,400 2.5,401 1.102,402 3.459,403 2.02,404 1.036,405 1.5,407 2.475,408 1.018,409 2.368,410 1,411 3.324,412 2,413 1,414 1.335,415 2.136,416 1,417 1.75,418 0.695,419 3.247,420 1.556,421 0.575,422 0.651,423 1.163,424 0.564,425 1.438,426 0.352,427 2.808,428 1.183,429 0.224,430 0.261,431 0.438,432 0.214,433 1.17,434 0.035,435 2.704,436 0.836,437 -0.106,438 -0.128,439 -0.264,440 -0.099,441 0.826,442 -0.305,443 2.419,444 0.439,445 -0.478,446 -0.587,448 -1.148,449 -0.437,450 0.754,451 -0.394,452 2.273,453 0.385,454 -0.58,455 -0.702,457 -1.479,458 -0.557,459 12.4,460 0.477,461 0.682,462 0.026,463 36.25,464 1.394,465 20,466 0.769,467 16.25,468 0.625,469 19.991,470 0.769,471 27.8,472 0.556,473 26.912,474 1.035,475 7.014,476 0.27,477 5.476,478 0.211,479 0.177,481 0.363,485 1.267,486 1.141,487 0.931,488 0.922,489 1.425,490 0.892,491 0.525,492 1.076,493 0.784,494 1.038,495 0.451,496 0.958,497 1.115,498 1.113,499 0.961,500 0.987,501 0.866,502 0.961,503 0.982,504 1.239,505 1.083,506 1.205,507 0.837,508 1.164,509 1.276,510 1.141,511 1.182,512 1.126,513 1.291,514 1.14,515 0.907,516 0.937,517 1.016,518 1.013,519 1.028,520 1.025,521 0.869,522 0.809,523 0.928,524 0.885,525 1.06,526 0.909,527 1.064,528 0.908,529 1.029,530 0.951,531 1.071,532 0.98,533 5.5,534 0.112,535 3.111,536 2.375,537 1.769,538 1.083,539 0.607,540 0.283,541 0.279,542 0.186,543 7714,544 18567,545 2.014,546 48,547 3,548 9,551 7,552 2,553 3,555 1.69,556 1.857,557 3.362,558 4.308,559 1,560 1,564 70.205,565 1.404,566 3.465,567 4.368,568 5.079,569 5.134,570 5.134,571 2.873,572 3.998,573 4.671,574 3.546,575 1152.4,576 8.089,577 14366,579 1,581 1,582 282.193,583 1.502,584 4.615,585 0.196,586 0.006,587 0.08,588 0.057,589 0.044,590 0.03,591 0.02,592 0.012,593 0.015,594 0.01,595 0.47,597 1,598 0.819,599 127.32,600 -0.212,601 0.102,602 -0.001,603 0.132,604 -0.331,605 0.098,606 0.33,607 0.046,608 0.147,609 0.026,610 0.27,611 0.058,612 -0.069,613 -0.024,614 0.002,615 0.014,616 -0.034,617 0.016,618 -0.005,619 -0.17,620 -0.128,621 -0.196,622 0.05,623 -0.18,624 -0.212,625 -0.117,626 -0.205,627 -0.155,628 -0.181,629 -0.175,630 0.055,631 -0.008,632 -0.027,633 -0.047,634 0.035,635 -0.047,636 0.106,637 0.084,638 0.073,639 0.067,640 0.002,641 0.067,642 -0.053,643 0.021,644 -0.034,645 0.003,646 -0.055,647 -0.01,648 1.481,649 2.288,650 0.692,651 23.692,652 0.991,653 1.135,654 3.234,655 10.456,656 0.658,657 3.367,658 3.689,659 3.951,660 4.205,661 4.394,662 4.394,663 4.443,664 4.511,665 4.564,666 4.575,667 6.344,668 0.617,669 348.5,670 3.367,671 4.905,672 5.753,673 6.632,674 7.496,675 8.38,676 9.25,677 10.135,678 11.009,679 11.896,680 12,684 3,685 1,690 2,695 8,696 2,700 8,702 18,711 3,712 1,718 50,719 18,720 2,721 28,723 52,724 20,725 16,726 4,727 8,729 3,730 3,734 2,739 2,741 16,742 4,754 1,757 24,758 6,759 7,760 6,764 6,769 1,776 1,781 3,802 3,806 2,810 26,811 3,816 1,817 1,820 1,836 14,837 9.15,838 5.806,839 2.943,840 3.181,841 1.45,842 0.997,843 5.402,844 10.255,845 3.638,846 4.256,847 4.83,848 5.399,849 5.926,850 6.104,851 6.412,852 6.759,853 7.079,854 7.379,855 1,856 42,857 9.542,859 3.959,860 7.679,861 18.238,863 14.668,865 2.179,866 56.667,869 1,870 200.109,871 118.049,872 150.273,877 118.049,878 200.109,879 150.273,880 17.65,881 2.535,882 174.502,883 51.582,884 17.827,885 4.227,886 200.109,888 200.109,889 268.322,893 164.795,894 35.313,897 24.841,898 191.9,899 51.582,901 200.109,902 150.273,903 118.049,906 200.109,907 24.589,908 93.46,909 18.011,910 132.263,911 200.109,912 150.273,913 118.049,915 0.58,916 0.347,917 0.192,918 0.103,919 18,920 9,921 0.096,922 5,924 1,925 3.707,926 214.926,928 18,929 118.211,933 18.176,934 7.727,935 3.979,937 150.273,938 16.047,939 8.386,943 5.749,945 116.702,946 468.431,947 37,956 49.563,957 56.727,958 0.249,959 0.614,960 0.774,961 0.9,962 0.91,963 0.91,964 4.864,965 1.428,966 5.746,967 4.207,968 4.369,969 4.942,970 0.623,971 6.564,972 4.309,973 6.082,974 1.036,975 7.314,976 3.504,977 4.007,978 4.745,980 7.489,981 3.909,982 7.391,983 1,984 8.982,985 2.475,986 5.969,987 7.143,988 0.317,989 10.594,990 5.854,991 8.737,992 0.575,993 10.708,994 2.136,995 6.399,996 7.72,998 12.346,999 6.254,1000 10.111,1001 0.224,1002 12.472,1003 1.163,1004 7.854,1005 9.614,1006 0.149,1007 14.977,1008 7.694,1009 11.508,1010 -0.106,1011 14.261,1012 0.438,1013 8.653,1014 10.576,1016 17.087,1017 8.468,1018 12.921,1019 -0.478,1020 16.071,1021 -0.264,1022 9.905,1023 12.238,1024 0.067,1025 19.555,1026 9.703,1027 3.172,1028 -0.58,1029 17.895,1030 -1.148,1031 10.88,1032 13.408,1034 21.823,1035 10.655,1036 2.888,1037 11.071,1038 19.732,1039 -1.479,1040 12.051,1041 14.954,1042 0.03,1043 24.235,1044 11.807,1045 2.662,1046 9.027,1047 21.578,1048 4.253,1049 13.107,1050 16.239,1052 26.573,1053 12.841,1054 2.261,1055 8.205,1056 23.432,1057 3.792,1058 14.248,1059 17.725,1060 0.013,1061 28.97,1062 13.963,1063 1.986,1064 6.663,1065 25.294,1066 3.527,1067 15.344,1068 19.076,1070 31.34,1071 15.036,1072 1.827,1073 5.704,1074 27.161,1075 2.999,1076 16.477,1077 20.533,1078 0.006,1079 33.734,1080 16.148,1081 1.689,1082 5.055,1083 29.034,1084 2.55,1085 17.592,1086 21.921,1088 36.12,1089 17.241,1090 7569,1091 11864,1092 18.205,1093 32.887,1094 41.833,1095 41.552,1096 43.537,1097 41.579,1098 41.497,1099 54.946,1100 1.315,1101 119.292,1102 40.206,1103 5.364,1104 5.256,1105 6.571,1106 5.219,1107 5.172,1108 7.253,1109 1.315,1110 17.965,1111 5.102,1112 14.39,1113 1.494,1114 1.484,1115 1.555,1116 1.485,1117 1.482,1118 1.962,1119 0.047,1120 4.26,1121 1.436,1122 4.033,1123 4.069,1124 3.991,1125 3.949,1126 5.288,1127 3.954,1128 3.91,1129 3.947,1130 3.845,1131 3.845,1132 5.101,1133 3.84,1134 3.766,1135 3.816,1136 3.714,1137 3.624,1138 4.978,1139 3.641,1140 3.421,1141 3.498,1142 3.27,1143 3.268,1144 4.76,1145 3.256,1146 3.39,1147 3.482,1148 3.204,1149 3.188,1150 4.539,1151 3.182,1152 3.118,1153 3.228,1154 3,1155 2.873,1156 4.389,1157 2.896,1158 3.019,1159 3.133,1160 2.858,1161 2.797,1162 4.131,1163 2.797,1164 2.887,1165 2.99,1166 2.724,1167 2.735,1168 3.965,1169 2.715,1170 0.162,1171 0.116,1172 0.242,1173 0.148,1174 0.113,1175 4.533,1176 0.152,1177 3.256,1178 0.023,1179 6.769,1180 0.395,1181 4.149,1182 0.111,1183 3.172,1184 4.253,1185 0.657,1186 11.071,1187 3.102,1188 1.977,1189 1.949,1190 2.074,1191 2.085,1192 1.225,1193 2.08,1194 1.909,1195 1.88,1196 2.021,1197 2.006,1198 1.168,1199 2.014,1200 1.716,1201 1.669,1202 1.871,1203 1.883,1204 1.01,1205 1.878,1206 1.43,1207 1.357,1208 1.714,1209 1.637,1210 0.825,1211 1.667,1212 1.376,1213 1.291,1214 1.618,1215 1.618,1216 0.602,1217 1.64,1218 1.032,1219 0.947,1220 1.29,1221 1.382,1222 0.249,1223 1.366,1224 0.969,1225 0.885,1226 1.262,1227 1.298,1228 0.218,1229 1.3,1230 0.886,1231 0.821,1232 1.181,1233 1.149,1234 0.19,1235 1.167,1236 4.043,1238 5.361,1240 6.882,1242 8.497,1244 10.16,1246 4.106,1250 18.084,1252 0.706,1253 3.45,1256 0.139,1262 30.87,1263 70.205,1264 173.257,1265 218.418,1266 253.928,1267 256.683,1268 256.683,1269 41.936,1270 7.073,1271 115.87,1272 115.87,1273 18,1274 12.43,1275 4.248,1276 3.322,1277 44.43,1278 102,1279 94,1280 0.222,1281 194.856,1282 327.02,1283 467.209,1284 10462,1286 18.681,1287 0.719,1288 0.578,1289 18.681,1290 15.03,1291 12.49,1292 0.446,1293 0.308,1294 8.548,1295 12.188,1296 8.276,1297 6.956,1298 12.49,1299 8.625,1300 11.221,1301 0.288,1302 0.16,1303 11.221,1304 6.221,1305 9.266,1306 0.182,1307 0.086,1308 9.266,1309 4.376,1310 7.888,1311 0.12,1312 0.046,1313 7.888,1314 3.025,1315 6.142,1316 0.077,1317 0.025,1318 6.142,1319 1.984,1320 0.348,1321 77.033,1322 0.234,1323 25.119,1324 0.61,1325 134,1326 321.56,1327 143.464,1328 329.97,1329 464.92,1330 308,1331 157,1332 360.141,1333 165.854,1334 370.72,1335 539.09,1336 350,1337 4.456}
{0 CHEMBL84069,1 1.513,2 7.955,3 2.82,4 7.954,5 97.216,6 7.46,7 0.522,8 3.781,9 3.939,10 3.331,11 3.231,12 5.041,13 3.227,14 4.24,15 4.458,16 3.648,17 3.59,18 5.388,19 3.561,20 4.414,21 4.615,22 3.773,23 3.777,24 5.513,25 3.739,26 4.577,27 4.792,28 3.838,29 3.866,30 5.73,31 3.807,32 4.706,33 4.952,34 3.71,35 3.852,36 5.854,37 3.765,38 4.679,39 4.986,40 3.503,41 3.667,42 5.744,43 3.547,44 4.367,45 4.666,46 3.324,47 3.367,48 5.509,49 3.274,50 4.086,51 4.344,52 3.229,53 3.143,54 5.418,55 3.104,56 0.102,57 0.652,58 8.26,59 2.79,60 17.665,61 4.243,62 0.242,63 0.929,64 14.607,65 4.799,66 27.223,67 7.29,68 0.177,69 1.121,70 16.835,71 5.467,72 20.25,73 8.548,74 0.214,75 1.238,76 20.247,77 6.618,78 30.689,79 10.389,80 0.352,81 1.247,82 24.334,83 6.081,84 53.59,85 10.503,86 0.424,87 1.034,88 26.184,89 6.266,90 61.767,91 11.057,92 0.377,93 0.78,94 18.927,95 4.506,96 55.604,97 7.819,98 0.26,99 0.653,100 13.355,101 2.689,102 41.643,103 5.049,104 47,105 32,106 0.269,107 0.665,108 0.783,109 0.822,110 0.822,111 0.822,112 3.147,113 0.886,114 -3.21,115 -3.2,116 -3.07,119 35,120 1,121 1,124 2,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,162 1,166 5,168 1,169 1,170 5,171 1,172 3,173 3,175 1,178 5,180 1,181 1,182 7,187 1,189 4,191 2,193 8,195 2,196 1,197 1,198 5,200 2,201 3,202 1,204 7,205 1,207 4,208 1,212 4,215 3,216 2,218 6,220 2,221 1,223 1,224 1,226 2,229 1,230 2,231 2,233 2,234 2,236 3,237 1,239 1,240 1,243 2,244 1,246 1,247 2,248 1,249 1,252 1,255 1,256 1,257 1,262 1,263 1,267 1,269 1,272 1,273 616,274 14.516,275 14.516,276 14.516,277 14.516,278 14.516,279 12.575,280 19.178,281 8.512,282 14.835,283 11.226,284 11.226,285 11.226,286 11.226,287 11.226,288 8.439,289 23.109,290 3.811,291 11.747,292 3.809,293 1.589,294 0.925,295 0.707,296 0.707,297 0.707,298 3.802,300 1,301 1,302 1,303 351,304 3.082,307 146.951,314 1.149,315 18.828,317 1,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 48,327 175,328 4.542,329 3.271,330 6.774,331 4.159,332 3.182,333 4.264,334 0.8,335 11.092,336 3.111,337 4.265,338 3.11,339 6.402,340 3.884,341 2.928,342 3.878,344 9.746,345 2.8,346 3.66,347 2.433,348 5.36,349 3.252,350 2.315,351 3.047,353 6.784,354 2.168,355 3.344,356 2.239,357 5.038,358 2.944,359 2,360 2.564,362 5.71,363 1.883,364 3.302,365 2.182,366 4.937,367 2.896,368 1.959,369 2.551,371 5.428,372 1.831,373 3.172,374 1.846,375 4.684,376 2.688,377 1.729,378 2.401,380 4.727,381 1.652,382 2.758,383 1.299,384 3.714,385 2.132,386 1.168,387 1.744,389 2.74,390 1.122,391 2.451,392 1,393 3.303,394 2,395 1,396 1.44,398 1.758,399 1,400 1.707,401 0.649,402 3.164,403 1.518,404 0.536,405 0.606,407 1.002,408 0.526,409 1.391,410 0.157,411 2.744,412 0.998,413 0.051,414 0.061,415 0.108,416 0.048,417 1.288,418 -0.052,419 2.439,420 0.762,421 -0.197,422 -0.265,423 -0.371,424 -0.189,425 0.839,426 -0.305,427 2.286,428 0.44,429 -0.477,430 -0.587,431 -1.146,432 -0.436,433 0.8,434 -0.557,435 2.228,436 0.304,437 -0.664,438 -0.867,439 -1.52,440 -0.641,441 0.603,442 -0.6,443 1.884,444 0.004,445 -0.945,446 -1,448 -2,449 -0.897,450 0.222,451 -0.75,452 1.645,454 -1,455 -1.116,457 -2.07,458 -0.9,459 10.2,460 0.464,461 0.613,462 0.028,463 30,464 1.364,465 16,466 0.727,467 14,468 0.636,469 15.99,470 0.727,471 24,472 0.6,473 22.693,474 1.031,475 6.088,476 0.277,477 4.385,478 0.199,479 0.265,481 0.382,485 0.888,486 1.317,487 0.829,488 1.103,489 0.824,490 0.976,491 0.631,492 0.838,493 0.654,494 0.784,495 0.285,496 0.732,497 0.924,498 1.221,499 0.886,500 1.075,501 0.623,502 0.988,503 0.744,504 1.317,505 0.924,506 1.277,507 0.562,508 1.153,509 1.322,510 1.246,511 1.298,512 1.252,513 1.212,514 1.268,515 0.976,516 0.909,517 0.948,518 0.907,519 1.01,520 0.92,521 0.86,522 0.814,523 0.896,524 0.866,525 1.59,526 0.884,527 1.242,528 1.252,529 1.102,530 1.116,531 0.886,532 1.088,533 5,535 2.667,536 2.438,537 1.578,538 1.028,539 0.566,540 0.415,541 0.222,542 0.107,543 3951,544 12251,545 1.919,546 45,547 3,548 9,551 4,552 2,555 1.652,556 1.737,557 2.992,558 1.959,560 1,564 60.516,565 1.513,566 3.733,567 4.396,568 4.615,569 4.615,570 4.615,571 2.447,572 4.187,573 4.43,574 3.131,575 723.347,576 7.648,577 7823.94,579 1,581 1,582 212.877,583 1.573,584 4.349,585 0.217,587 0.083,588 0.068,589 0.043,590 0.034,591 0.024,592 0.021,593 0.012,594 0.013,595 0.515,596 0.33,597 1,598 1.309,599 99.266,600 0.017,601 -0.013,602 0.022,603 0.003,604 -0.066,605 0.012,606 0.243,607 0.292,608 0.26,609 0.29,610 0.278,611 0.28,612 -0.096,613 -0.052,614 -0.001,615 0.023,616 -0.061,617 0.028,618 0.067,619 -0.206,620 -0.024,621 -0.191,622 0.106,623 -0.133,624 -0.304,625 -0.199,626 -0.35,627 -0.282,628 -0.249,629 -0.319,630 0.006,631 -0.058,632 0.072,633 0.028,634 -0.007,635 0.058,636 0.208,637 0.067,638 0.128,639 0.043,640 -0.132,641 0.067,642 0.005,643 -0.235,644 -0.105,645 -0.251,646 0.307,647 -0.205,648 1.515,649 2.753,650 0.545,651 16,652 1.006,653 1.152,654 1.98,655 3.919,656 0.646,657 3.178,658 3.497,659 3.761,660 4.043,661 4.205,662 4.277,663 4.304,664 4.344,665 4.19,666 4.094,667 4.994,668 0.62,669 298.4,670 3.178,671 4.71,672 5.557,673 6.447,674 7.318,675 8.215,676 9.093,677 9.993,678 10.873,679 11.774,680 20,684 2,686 1,690 2,692 1,693 1,695 3,696 2,700 7,702 12,711 2,714 1,718 40,719 14,720 1,721 23,723 41,724 14,725 10,726 3,727 3,729 2,730 2,734 1,739 1,741 10,742 4,744 2,750 1,753 1,754 1,757 18,758 7,759 4,760 8,764 8,765 1,769 1,776 1,781 2,802 2,806 3,810 22,811 2,816 1,821 1,836 12.667,837 8.133,838 5.056,839 2.278,840 2.651,841 1.408,842 0.948,843 4.714,844 9.151,845 3.466,846 4.078,847 4.659,848 5.278,849 5.813,850 6.129,851 6.469,852 6.817,853 7.038,854 7.323,855 1,856 36,857 7.998,859 3.223,860 7.917,861 14.906,863 11.428,865 2.417,866 53.167,870 164.795,871 75.45,872 166.017,877 75.45,878 164.795,879 166.017,880 17.222,881 4.211,882 103.699,883 53.297,884 33.571,885 4.227,886 164.795,888 164.795,889 241.467,893 164.795,894 22,897 21.877,898 140.145,899 50.357,901 164.795,902 166.017,903 75.45,906 164.795,907 21.403,908 57.171,910 162.893,911 164.795,912 166.017,913 75.45,915 0.573,916 0.345,917 0.201,918 0.108,919 14,920 8,921 0.098,922 4,924 1,925 3.184,926 169.292,928 12,929 96.107,933 15.9,934 6.523,935 3.247,937 150.702,938 5.546,939 8.257,943 4.068,945 65.794,946 406.263,947 31,953 3.749,956 40.232,957 46.062,958 0.284,959 0.701,960 0.826,961 0.867,962 0.867,963 0.867,964 4.691,965 1,966 5.565,967 2.74,968 4.174,969 4.762,970 0.673,971 6.412,972 4.091,973 5.92,974 0.536,975 7.152,976 1.758,977 3.892,978 4.62,979 0.325,980 7.42,981 3.757,982 7.239,983 0.051,984 8.842,985 1.002,986 5.796,987 6.989,988 0.379,989 10.527,990 5.642,991 8.595,992 -0.197,993 10.589,994 0.108,995 6.293,996 7.624,997 0.268,998 12.347,999 6.103,1000 9.981,1001 -0.477,1002 12.374,1003 -0.371,1004 7.718,1005 9.493,1006 0.239,1007 14.988,1008 7.509,1009 11.389,1010 -0.664,1011 14.184,1012 -1.146,1013 8.571,1014 10.515,1015 0.188,1016 17.143,1017 8.335,1018 12.815,1019 -0.945,1020 16.013,1021 -1.52,1022 9.814,1023 12.158,1024 0.156,1025 19.619,1026 9.557,1027 3.182,1028 -1,1029 17.857,1030 -2,1031 10.828,1032 13.381,1033 0.125,1034 21.912,1035 10.547,1036 2.928,1037 11.092,1038 19.712,1039 -2.07,1040 12.001,1041 14.916,1042 0.102,1043 24.329,1044 11.7,1045 2.315,1046 9.746,1047 21.576,1048 4.264,1049 13.085,1050 16.241,1051 0.082,1052 26.678,1053 12.762,1054 2,1055 6.784,1056 23.447,1057 3.878,1058 14.234,1059 17.723,1060 0.066,1061 29.076,1062 13.89,1063 1.959,1064 5.71,1065 25.324,1066 3.047,1067 15.35,1068 19.102,1069 0.054,1070 31.449,1071 14.983,1072 1.729,1073 5.428,1074 27.206,1075 2.564,1076 16.491,1077 20.559,1078 0.043,1079 33.842,1080 16.104,1081 1.168,1082 4.727,1083 29.091,1084 2.551,1085 17.621,1086 21.966,1087 0.035,1088 36.226,1089 17.212,1090 4165,1091 7445,1092 14.334,1093 25.853,1094 34.227,1095 33.693,1096 36.665,1097 33.81,1098 33.736,1099 45.113,1100 1.6,1101 98.189,1102 32.282,1103 5.233,1104 5.271,1105 6.537,1106 5.229,1107 5.182,1108 7.264,1109 1.2,1110 17.997,1111 5.111,1112 14.133,1113 1.488,1114 1.465,1115 1.594,1116 1.47,1117 1.467,1118 1.961,1119 0.07,1120 4.269,1121 1.404,1122 4.025,1123 4.062,1124 3.992,1125 3.936,1126 6.727,1127 3.944,1128 3.796,1129 3.855,1130 3.756,1131 3.636,1132 5.285,1133 3.657,1134 3.436,1135 3.535,1136 3.321,1137 3.223,1138 4.981,1139 3.215,1140 3.391,1141 3.486,1142 3.259,1143 3.164,1144 4.765,1145 3.169,1146 3.318,1147 3.42,1148 3.204,1149 2.942,1150 4.43,1151 3.016,1152 3.072,1153 3.195,1154 2.933,1155 2.789,1156 4.206,1157 2.809,1158 2.874,1159 3.009,1160 2.648,1161 2.618,1162 4.125,1163 2.598,1164 2.822,1165 2.924,1166 2.581,1167 2.58,1168 3.965,1169 2.57,1170 0.197,1171 0.142,1172 0.295,1173 0.181,1174 0.138,1175 4.542,1176 0.185,1177 3.271,1178 0.035,1179 6.774,1180 0.482,1181 4.159,1182 0.135,1183 3.182,1184 4.264,1185 0.8,1186 11.092,1187 3.111,1188 1.969,1189 1.942,1190 2.045,1191 2.082,1192 1.204,1193 2.07,1194 1.732,1195 1.682,1196 1.886,1197 1.926,1198 1.04,1199 1.909,1200 1.417,1201 1.328,1202 1.722,1203 1.668,1204 0.801,1205 1.689,1206 1.361,1207 1.27,1208 1.601,1209 1.631,1210 0.572,1211 1.641,1212 1.104,1213 1.011,1214 1.417,1215 1.506,1216 0.469,1217 1.423,1218 0.975,1219 0.879,1220 1.267,1221 1.36,1222 0.183,1223 1.342,1224 0.934,1225 0.804,1226 1.199,1227 1.239,1228 0.128,1229 1.308,1230 0.79,1231 0.689,1232 1.12,1233 1.087,1234 0.028,1235 1.107,1236 3.85,1238 5.165,1240 6.688,1242 8.318,1244 10.002,1246 5.723,1250 11.655,1252 0.665,1257 1.872,1262 24.805,1263 60.516,1264 149.314,1265 175.858,1266 184.612,1267 184.612,1268 184.612,1269 38.247,1270 6.5,1271 129.82,1272 129.82,1273 12,1274 12.3,1275 3.907,1276 3.17,1277 41.896,1278 65,1279 62,1280 0.328,1281 161.212,1282 271.12,1283 385.116,1284 4420,1286 16.276,1287 0.74,1288 0.581,1289 16.276,1290 12.791,1291 10.473,1292 0.455,1293 0.295,1294 6.668,1295 9.955,1296 6.401,1297 5.434,1298 10.473,1299 6.79,1300 9.329,1301 0.292,1302 0.154,1303 9.329,1304 4.943,1305 7.347,1306 0.175,1307 0.078,1308 7.347,1309 3.276,1310 6.569,1311 0.117,1312 0.041,1313 6.569,1314 2.312,1315 4.851,1316 0.074,1317 0.022,1318 4.851,1319 1.43,1320 0.493,1321 66.386,1322 0.264,1323 21.155,1324 0.967,1325 110,1326 340.787,1327 121.656,1328 342.226,1329 463.64,1330 316,1331 129,1332 346.26,1333 140.49,1334 354.566,1335 507.76,1336 329,1337 5.796}
{0 CHEMBL84234,1 1.507,2 9.24,3 2.82,4 7.954,5 97.216,6 7.38,7 0.444,8 3.935,9 4.093,10 3.483,11 3.386,12 5.119,13 3.383,14 4.441,15 4.652,16 3.809,17 3.778,18 5.522,19 3.741,20 4.694,21 4.935,22 3.91,23 3.96,24 5.664,25 3.904,26 4.733,27 4.952,28 3.959,29 4.027,30 5.803,31 3.957,32 4.859,33 5.104,34 3.911,35 4.037,36 5.949,37 3.953,38 4.87,39 5.161,40 3.75,41 3.898,42 5.905,43 3.786,44 4.633,45 4.938,46 3.57,47 3.619,48 5.712,49 3.525,50 4.307,51 4.563,52 3.478,53 3.403,54 5.612,55 3.368,56 0.111,57 0.765,58 9.832,59 3.254,60 18.236,61 5.022,62 0.256,63 1.13,64 17.791,65 5.762,66 29.058,67 8.905,68 0.321,69 1.349,70 24.042,71 7.029,72 26.892,73 11.395,74 0.232,75 1.435,76 24.014,77 8.078,78 31.681,79 12.598,80 0.352,81 1.486,82 28.481,83 7.642,84 53.679,85 12.97,86 0.474,87 1.308,88 30.915,89 7.625,90 63.882,91 13.342,92 0.483,93 1.009,94 24.97,95 5.765,96 58.552,97 10.198,98 0.338,99 0.839,100 16.781,101 3.433,102 58.434,103 6.369,104 22,105 37,106 0.259,107 0.64,108 0.773,109 0.836,110 0.836,111 0.836,112 3.268,113 0.915,114 -2.98,115 -2.98,116 -2.87,119 34.8,120 1,121 1,125 4,139 3,140 2,141 2,143 1,144 1,147 1,157 2,158 2,159 2,162 1,166 5,168 1,169 1,170 5,171 1,172 3,173 3,175 1,178 5,180 1,181 1,182 7,185 1,187 1,189 4,191 2,193 8,195 2,196 1,197 1,198 5,200 2,201 3,202 1,204 7,205 1,207 4,208 1,212 5,215 3,216 2,218 6,220 2,221 1,223 1,224 2,226 4,229 1,230 2,231 2,233 2,234 2,236 3,237 1,239 2,240 2,243 2,244 1,246 1,247 2,248 1,249 1,251 1,252 2,255 1,256 1,257 1,262 1,263 1,267 1,269 1,272 1,273 840,274 17.085,275 17.085,276 17.085,277 17.085,278 17.085,279 15.144,280 24.576,281 10.232,282 17.481,283 13.246,284 13.246,285 13.246,286 13.246,287 13.246,288 10.473,289 31.644,290 4.675,291 13.896,292 4.017,293 1.809,294 1.033,295 0.669,296 0.669,297 0.669,298 3.948,300 1,301 1,302 1,303 487,304 2.646,307 247.779,314 1.43,315 21.97,317 1,318 1,319 0.83,320 1,321 0.8,322 0.5,323 0.83,324 0.5,325 0.78,326 54.5,327 231,328 4.544,329 3.293,330 6.776,331 4.163,332 3.187,333 4.265,334 0.8,335 11.102,336 3.113,337 4.285,338 3.167,339 6.494,340 3.929,341 2.977,342 3.886,343 0.4,344 10.159,345 2.834,346 3.682,347 2.541,348 5.425,349 3.32,350 2.379,351 3.056,353 6.999,354 2.235,355 3.436,356 2.303,357 5.159,358 3.087,359 2.151,360 2.627,362 6.16,363 2.009,364 3.302,365 2.218,366 5.038,367 2.931,368 1.983,369 2.551,371 5.698,372 1.876,373 3.198,374 1.87,375 4.732,376 2.692,377 1.735,378 2.431,380 4.859,381 1.654,382 2.923,383 1.835,384 4.163,385 2.561,386 1.609,387 1.97,389 3.784,390 1.53,391 2.702,392 1.318,393 3.513,394 2.065,395 1.123,396 1.707,398 2.647,399 1.055,400 2.278,401 1.146,402 3.314,403 2,404 1,405 1.258,407 2.136,408 1,409 2,410 1,411 3.247,412 1.967,413 1,414 1,415 1.768,416 0.965,417 1.712,418 0.659,419 3.178,420 1.524,421 0.543,422 0.613,423 1.035,424 0.532,425 1.412,426 0.194,427 2.753,428 1.033,429 0.082,430 0.099,431 0.172,432 0.078,433 1.29,434 -0.019,435 2.534,436 0.794,437 -0.161,438 -0.209,439 -0.322,440 -0.153,441 0.876,442 -0.305,443 2.384,444 0.441,445 -0.477,446 -0.587,448 -1.143,449 -0.436,450 0.819,451 -0.47,452 2.255,453 0.39,454 -0.578,455 -0.722,457 -1.244,458 -0.558,459 11.6,460 0.464,461 0.537,462 0.021,463 32.5,464 1.3,465 16,466 0.64,467 16.5,468 0.66,469 19.899,470 0.796,471 27.4,472 0.596,473 24.57,474 0.983,475 6.437,476 0.257,477 5.697,478 0.228,479 0.147,481 0.336,485 0.935,486 1.341,487 0.834,488 1.092,489 0.78,490 0.965,491 0.735,492 1.046,493 0.806,494 0.996,495 0.324,496 0.925,497 0.973,498 0.973,499 0.875,500 0.88,501 0.552,502 0.863,503 0.708,504 1.275,505 0.93,506 1.272,507 0.545,508 1.159,509 1.158,510 1.255,511 1.164,512 1.224,513 1.131,514 1.199,515 0.988,516 1.014,517 1.005,518 1.02,519 1.042,520 1.016,521 0.909,522 0.797,523 0.873,524 0.805,525 1.417,526 0.828,527 1.294,528 1.099,529 1.08,530 0.969,531 1.635,532 0.984,533 4.5,534 0.082,535 2.667,536 2.375,537 1.449,538 0.958,539 0.704,540 0.443,541 0.246,542 0.136,543 6301,544 17547,545 2.038,546 45.7,547 3,548 11,551 5,552 2,555 1.686,556 1.899,557 3.178,558 2.686,560 1,564 69.316,565 1.507,566 3.714,567 4.491,568 4.855,569 4.855,570 4.855,571 2.677,572 4.484,573 4.615,574 3.317,575 995.013,576 8.013,577 11778.7,579 1,581 1,582 254.084,583 1.44,584 4.569,585 0.167,586 0.007,587 0.072,588 0.058,589 0.034,590 0.025,591 0.023,592 0.017,593 0.01,594 0.008,595 0.421,596 0.17,597 1,598 1.086,599 118.668,600 -0.014,601 -0.019,602 0.031,603 0.026,604 -0.01,605 0.035,606 0.151,607 0.114,608 0.105,609 0.085,610 0.225,611 0.086,612 -0.08,613 0.099,614 0.064,615 0.168,616 0.005,617 0.145,618 0.063,619 -0.162,620 -0.026,621 -0.162,622 0.115,623 -0.117,624 -0.207,625 -0.2,626 -0.219,627 -0.214,628 -0.178,629 -0.218,630 -0.002,631 -0.106,632 -0.004,633 -0.069,634 -0.063,635 -0.042,636 0.175,637 0.078,638 0.157,639 0.097,640 -0.064,641 0.12,642 -0.029,643 -0.053,644 -0.081,645 -0.093,646 0.102,647 -0.095,648 1.509,649 2.957,650 0.72,651 20.528,652 1.005,653 1.152,654 1.746,655 3.049,656 0.644,657 3.332,658 3.638,659 3.932,660 4.234,661 4.443,662 4.5,663 4.605,664 4.71,665 4.718,666 4.736,667 5.561,668 0.616,669 339.46,670 3.332,671 4.86,672 5.714,673 6.6,674 7.475,675 8.37,676 9.252,677 10.15,678 11.036,679 11.936,680 19.6,682 1,684 2,686 1,690 2,692 1,693 1,695 3,696 2,700 7,702 12,711 2,714 1,718 46,719 14,720 1,721 27,723 48,724 16,725 10,726 3,727 3,729 3,730 3,734 1,739 1,741 10,742 6,744 2,750 1,753 1,754 1,757 21,758 8,759 5,760 9,764 9,765 1,769 1,776 1,781 3,798 1,802 3,806 1,810 25,811 2,816 5,817 1,821 1,836 13.167,837 8.383,838 5.722,839 2.828,840 2.535,841 1.36,842 0.98,843 5.247,844 9.569,845 3.584,846 4.159,847 4.732,848 5.347,849 5.888,850 6.212,851 6.59,852 6.967,853 7.239,854 7.544,855 1,856 41,857 9.153,859 3.797,860 7.807,861 17.39,863 13.949,865 2.307,866 57.667,870 188.338,871 67.08,872 184.028,877 67.08,878 188.338,879 184.028,880 17.222,881 4.211,882 103.699,883 53.297,884 33.571,885 4.227,886 164.795,888 188.338,889 251.108,893 164.795,894 22,897 21.877,898 140.145,899 50.357,901 188.338,902 184.028,903 67.08,906 188.338,907 29.826,908 40.378,909 18.011,910 162.893,911 188.338,912 184.028,913 67.08,915 0.566,916 0.343,917 0.206,918 0.114,919 17,920 8,921 0.083,922 4,924 1,925 3.563,926 208.691,928 18,929 112.096,933 17.308,934 7.578,935 3.616,937 168.713,938 5.75,939 8.35,943 4.286,945 83.805,946 439.446,947 35,953 3.883,956 46.218,957 52.976,958 0.273,959 0.672,960 0.813,961 0.879,962 0.879,963 0.879,964 4.812,965 1.123,966 5.694,967 3.784,968 4.317,969 4.844,970 0.824,971 6.526,972 4.228,973 6.008,974 1,975 7.262,976 2.647,977 3.892,978 4.62,979 0.325,980 7.489,981 3.757,982 7.312,983 1,984 8.936,985 2.136,986 5.916,987 7.027,988 0.413,989 10.625,990 5.749,991 8.655,992 0.543,993 10.673,994 1.768,995 6.33,996 7.634,997 0.268,998 12.44,999 6.132,1000 10.033,1001 0.082,1002 12.451,1003 1.035,1004 7.819,1005 9.512,1006 0.246,1007 15.089,1008 7.589,1009 11.434,1010 -0.161,1011 14.258,1012 0.172,1013 8.628,1014 10.525,1015 0.188,1016 17.247,1017 8.376,1018 12.856,1019 -0.477,1020 16.086,1021 -0.322,1022 9.902,1023 12.17,1024 0.157,1025 19.728,1026 9.62,1027 3.187,1028 -0.578,1029 17.93,1030 -1.143,1031 10.895,1032 13.39,1033 0.125,1034 22.023,1035 10.593,1036 2.977,1037 11.102,1038 19.785,1039 -1.244,1040 12.083,1041 14.924,1042 0.102,1043 24.444,1044 11.754,1045 2.379,1046 10.159,1047 21.65,1048 4.265,1049 13.159,1050 16.25,1051 0.082,1052 26.793,1053 12.808,1054 2.151,1055 6.999,1056 23.522,1057 3.886,1058 14.315,1059 17.731,1060 0.067,1061 29.193,1062 13.939,1063 1.983,1064 6.16,1065 25.4,1066 3.056,1067 15.428,1068 19.11,1069 0.054,1070 31.565,1071 15.03,1072 1.735,1073 5.698,1074 27.283,1075 2.627,1076 16.574,1077 20.567,1078 0.043,1079 33.958,1080 16.151,1081 1.609,1082 4.859,1083 29.17,1084 2.551,1085 17.703,1086 21.974,1087 0.035,1088 36.341,1089 17.258,1090 6250,1091 10560,1092 17.8,1093 29.62,1094 39.837,1095 39.638,1096 41.805,1097 39.611,1098 39.543,1099 50.925,1100 2.4,1101 113.036,1102 37.762,1103 5.544,1104 5.293,1105 6.578,1106 5.233,1107 5.187,1108 7.265,1109 1.2,1110 18.071,1111 5.113,1112 12.641,1113 1.475,1114 1.468,1115 1.548,1116 1.467,1117 1.465,1118 1.886,1119 0.089,1120 4.187,1121 1.399,1122 4.035,1123 4.075,1124 3.999,1125 3.942,1126 6.727,1127 3.951,1128 3.834,1129 3.899,1130 3.779,1131 3.66,1132 5.285,1133 3.681,1134 3.677,1135 3.748,1136 3.569,1137 3.497,1138 4.981,1139 3.502,1140 3.393,1141 3.486,1142 3.302,1143 3.191,1144 4.761,1145 3.184,1146 3.32,1147 3.427,1148 3.204,1149 2.95,1150 4.434,1151 3.02,1152 3.111,1153 3.212,1154 2.99,1155 2.941,1156 4.356,1157 2.91,1158 3.1,1159 3.206,1160 2.866,1161 2.84,1162 4.145,1163 2.866,1164 2.952,1165 3.064,1166 2.802,1167 2.635,1168 3.966,1169 2.664,1170 0.168,1171 0.122,1172 0.251,1173 0.154,1174 0.118,1175 4.544,1176 0.158,1177 3.293,1178 0.03,1179 6.776,1180 0.411,1181 4.163,1182 0.115,1183 3.187,1184 4.265,1185 0.8,1186 11.102,1187 3.113,1188 1.974,1189 1.947,1190 2.058,1191 2.095,1192 1.285,1193 2.085,1194 1.773,1195 1.715,1196 1.947,1197 1.983,1198 1.167,1199 1.973,1200 1.634,1201 1.568,1202 1.833,1203 1.834,1204 0.996,1205 1.827,1206 1.381,1207 1.295,1208 1.616,1209 1.634,1210 0.825,1211 1.653,1212 1.153,1213 1.064,1214 1.513,1215 1.511,1216 0.609,1217 1.429,1218 1.107,1219 1.016,1220 1.274,1221 1.376,1222 0.339,1223 1.423,1224 1.003,1225 0.917,1226 1.199,1227 1.369,1228 0.182,1229 1.349,1230 0.868,1231 0.752,1232 1.186,1233 1.214,1234 0.125,1235 1.213,1236 4.007,1238 5.313,1240 6.836,1242 8.464,1244 10.145,1246 1.98,1250 11.781,1252 4.191,1253 3.311,1257 2.202,1262 28.353,1263 69.316,1264 170.859,1265 206.574,1266 223.329,1267 223.329,1268 223.329,1269 40.006,1270 7.034,1271 141.85,1272 141.85,1273 18,1274 12.461,1275 3.907,1276 3.17,1277 41.497,1278 84,1279 79,1280 0.25,1281 179.797,1282 304.36,1283 430.465,1284 9206,1286 17.811,1287 0.712,1288 0.565,1289 17.811,1290 14.119,1291 12.135,1292 0.449,1293 0.305,1294 8.098,1295 11.554,1296 7.934,1297 6.592,1298 12.135,1299 8.235,1300 10.483,1301 0.283,1302 0.156,1303 10.483,1304 5.786,1305 8.746,1306 0.175,1307 0.085,1308 8.746,1309 4.252,1310 7.874,1311 0.116,1312 0.046,1313 7.874,1314 3.107,1315 6.213,1316 0.074,1317 0.025,1318 6.213,1319 2.099,1320 0.381,1321 76.687,1322 0.237,1323 23.833,1324 0.724,1325 128,1326 373.12,1327 141.71,1328 371.641,1329 508.88,1330 346,1331 151,1332 382.091,1333 164.544,1334 386.212,1335 560.24,1336 363,1337 4.602}
{0 CHEMBL84273,1 1.66,2 12.618,3 2.89,4 8.353,5 126.553,6 8.282,7 0.605,8 4.144,9 4.258,10 3.792,11 3.668,12 5.38,13 3.687,14 4.622,15 4.766,16 4.172,17 4.046,18 5.911,19 4.049,20 4.892,21 5.065,22 4.284,23 4.226,24 6.056,25 4.214,26 4.936,27 5.119,28 4.237,29 4.273,30 6.116,31 4.222,32 4.997,33 5.204,34 4.175,35 4.325,36 6.022,37 4.241,38 5,39 5.23,40 4.152,41 4.245,42 6.059,43 4.171,44 4.91,45 5.125,46 4.106,47 4.143,48 6.009,49 4.096,50 4.792,51 4.994,52 4.069,53 4.045,54 5.939,55 4.014,56 0.14,57 0.877,58 9.297,59 4.289,60 20.097,61 4.975,62 0.409,63 1.367,64 16.906,65 7.294,66 52.202,67 8.877,68 0.595,69 1.714,70 24.762,71 9.188,72 62.816,73 11.129,74 0.715,75 1.766,76 26.022,77 10.416,78 70.563,79 13.199,80 0.455,81 1.835,82 28.696,83 11.922,84 48.745,85 15.933,86 0.512,87 1.781,88 31.207,89 11.709,90 54.278,91 15.96,92 0.524,93 1.605,94 28.447,95 10.118,96 58.822,97 13.256,98 0.488,99 1.456,100 24.286,101 8.701,102 51.263,103 11.253,104 21,105 54,106 0.269,107 0.664,108 0.801,109 0.877,110 0.9,111 0.906,112 3.561,113 0.833,114 -3.93,115 -3.89,116 -3.69,119 43.6,121 1,125 2,134 2,139 7,140 2,141 3,142 1,143 2,144 1,146 1,147 1,153 1,157 2,158 2,159 2,161 1,165 1,166 9,167 1,169 2,170 8,172 3,173 4,175 1,178 10,181 4,182 8,183 1,184 1,185 1,189 10,192 3,193 2,195 3,196 4,197 1,200 2,201 12,205 1,206 1,207 5,209 1,210 1,215 12,216 2,220 2,221 13,223 1,224 1,226 2,229 6,230 2,234 12,239 2,241 2,242 1,245 1,246 12,247 1,248 1,249 1,251 5,254 1,255 1,256 4,259 2,260 13,263 1,265 7,268 2,269 1,270 6,273 2296,274 23.032,275 23.032,276 23.032,277 23.032,278 23.032,279 19.957,280 26.762,281 13.56,282 23.552,283 18.807,284 18.807,285 18.807,286 18.807,287 18.807,288 14.088,289 36.452,290 6.501,291 19.691,292 4.122,293 1.68,294 0.83,295 0.364,296 0.218,297 0.182,298 4.271,301 1,302 1,303 936,304 3.536,307 289.76,308 79.598,311 126.847,312 257.969,314 2.043,315 35.691,318 1,319 0.67,320 1,321 0.6,323 0.83,324 0.5,325 0.66,326 74.5,327 429,328 4.549,329 3.599,330 6.81,331 4.172,332 3.212,333 4.491,334 2.341,335 11.279,336 3.085,337 4.489,338 3.418,339 6.501,340 4.014,341 3.07,342 4.107,343 0.916,344 10.172,345 2.894,346 4.111,347 3.117,348 6.099,349 3.699,350 2.719,351 3.741,352 0.86,353 8.853,354 2.669,355 3.787,356 2.908,357 5.487,358 3.396,359 2.443,360 3.241,361 0.172,362 7.265,363 2.326,364 3.608,365 2.625,366 5.276,367 3.262,368 2.303,369 2.916,371 6.723,372 2.21,373 3.525,374 2.525,375 5.076,376 3.151,377 2.178,378 2.811,380 5.968,381 2.083,382 3.432,383 2.215,384 5.057,385 3.006,386 2.064,387 2.72,389 5.796,390 1.941,391 3.408,392 2.104,393 4.945,394 2.933,395 2.001,396 2.692,398 5.606,399 1.861,400 3.29,401 1.997,402 4.648,403 2.839,404 1.893,405 2.51,407 5.147,408 1.778,409 2.937,410 1.618,411 4.255,412 2.468,413 1.472,414 2.123,415 3.673,416 1.465,417 2.774,418 1.471,419 3.842,420 2.335,421 1.344,422 1.889,423 3.178,424 1.331,425 2.455,426 1.366,427 3.709,428 2.034,429 1.098,430 1.436,431 2.565,432 1.012,433 2.372,434 1.06,435 3.575,436 1.92,437 1.008,438 1.292,439 2.464,440 0.918,441 2.267,442 1.01,443 3.303,444 1.844,445 0.876,446 1.136,448 2.155,449 0.844,450 2.093,451 0.753,452 3.2,453 1.58,454 0.596,455 0.879,457 1.461,458 0.586,459 15.8,460 0.465,461 0.87,462 0.026,463 50.25,464 1.478,465 27,466 0.794,467 23.25,468 0.684,469 25.387,470 0.747,471 35.2,472 0.64,473 41.604,474 1.224,475 10.053,476 0.296,477 6.421,478 0.189,479 0.093,481 0.373,485 0.947,486 1.246,487 0.729,488 0.954,489 0.907,490 0.815,491 0.728,492 1.077,493 0.754,494 0.993,495 0.445,496 0.903,497 1.136,498 0.975,499 0.984,500 0.892,501 0.943,502 0.907,503 0.708,504 0.897,505 1.035,506 1.014,507 0.631,508 1.079,509 0.575,510 1.043,511 1.007,512 1.144,513 0.479,514 1.162,515 0.661,516 0.939,517 0.904,518 1.029,519 0.557,520 1.015,521 1.024,522 1.017,523 0.954,524 0.967,525 0.89,526 0.949,527 1.004,528 1.035,529 0.931,530 0.985,531 0.829,532 0.948,533 7,534 0.324,535 3.556,536 2.375,537 2.318,538 1.028,539 0.68,540 0.677,541 0.541,542 0.276,543 16354,544 51086,545 2.127,546 38.2,548 13,550 1,551 5,552 2,555 1.764,556 2,557 3.547,558 2.336,560 1,564 91.291,565 1.66,566 4.102,567 4.951,568 5.418,569 5.563,570 5.6,571 3.054,572 4.97,573 5.05,574 3.759,575 2108.93,576 8.887,577 31351.8,582 317.975,583 1.379,584 5.023,585 0.184,586 0.01,587 0.066,588 0.04,589 0.041,590 0.019,591 0.013,592 0.014,593 0.012,594 0.006,595 0.405,596 0.17,597 0.75,598 1.111,599 180.541,600 -0.153,601 -0.095,602 0.014,603 0.029,604 -0.181,605 0.057,606 0.142,607 0.021,608 0.071,609 -0.013,610 0.212,611 0.002,612 -0.144,613 0.088,614 -0.085,615 0.069,616 -0.142,617 0.009,618 0.119,619 0.138,620 -0.139,621 -0.021,622 0.068,623 -0.117,624 0.022,625 -0.06,626 -0.095,627 -0.11,628 -0.003,629 -0.125,630 0.043,631 0.017,632 0.076,633 -0.01,634 0.037,635 0.033,636 -0.118,637 -0.06,638 0.034,639 0.037,640 -0.069,641 0.065,642 -0.06,643 -0.045,644 0.034,645 0.002,646 -0.013,647 0.033,648 2.568,649 3.799,650 0.735,651 39.415,652 1.016,653 1.128,654 2.703,655 7.308,656 0.686,657 3.664,658 4.007,659 4.29,660 4.605,661 4.905,662 5.063,663 5.236,664 5.438,665 5.649,666 5.768,667 7.253,668 0.672,669 455.52,670 3.664,671 5.22,672 6.08,673 6.973,674 7.853,675 8.752,676 9.642,677 10.546,678 11.441,679 12.347,680 12.7,684 2,688 1,690 4,694 2,695 8,696 4,700 8,702 23,711 2,714 1,716 1,718 55,719 25,720 2,721 38,723 59,724 24,725 18,726 5,727 7,728 2,729 5,730 9,739 1,741 21,742 3,744 2,748 1,749 2,751 1,754 1,757 21,758 10,759 5,760 10,764 7,769 0.4,770 3,774 1,776 1,781 4,782 1,785 1,786 2,792 1,795 2,800 1,802 2,810 34,811 2,815 1,816 3,818 1,821 1,829 5.5,831 1,832 1,834 1,836 17,837 9.783,838 7.333,839 3.056,840 5.288,841 1.609,842 1.012,843 5.904,844 13.975,845 3.961,846 4.6,847 5.207,848 5.835,849 6.459,850 6.804,851 7.249,852 7.71,853 8.205,854 8.535,855 0.889,856 60,857 12.491,859 5.398,860 7.892,861 23.378,863 19.207,865 2.392,866 81.333,869 1,870 188.338,871 132.447,872 136.061,874 78.828,877 132.447,878 267.166,879 136.061,881 9.233,882 151.081,883 147.651,884 46.916,885 4.227,886 176.567,888 188.338,889 268.508,890 78.828,893 190.053,894 78.828,897 28.204,898 152.494,899 86.095,901 188.338,902 214.889,903 132.447,906 188.338,907 38.114,908 97.458,910 211.765,911 188.338,912 214.889,913 132.447,915 0.584,916 0.332,917 0.186,918 0.107,919 27,920 12,921 0.102,922 6,923 3,924 1.24,925 4.391,926 335.57,927 0.24,928 25,929 172.974,933 21.924,934 9.157,935 4.616,936 0.741,937 214.889,938 15.366,939 17.117,943 5.411,945 108.478,946 535.674,947 51.5,951 10.799,952 4.05,954 -0.901,956 55.88,957 62.023,958 0.287,959 0.709,960 0.856,961 0.937,962 0.962,963 0.969,964 5.203,965 2.001,966 6.071,967 5.796,968 4.691,969 5.288,970 2.529,971 6.895,972 4.602,973 6.426,974 1.893,975 7.633,976 5.606,977 4.29,978 5.121,979 2.283,980 7.803,981 4.153,982 7.741,983 1.472,984 9.294,985 5.147,986 6.293,987 7.527,988 3.681,989 10.929,990 6.117,991 9.089,992 1.344,993 11.014,994 3.673,995 6.686,996 8.161,997 4.12,998 12.681,999 6.46,1000 10.467,1001 1.098,1002 12.773,1003 3.178,1004 8.17,1005 10.052,1006 5.21,1007 15.33,1008 7.908,1009 11.867,1010 1.008,1011 14.561,1012 2.565,1013 8.949,1014 11.09,1015 5.89,1016 17.448,1017 8.636,1018 13.285,1019 0.876,1020 16.369,1021 2.464,1022 10.222,1023 12.755,1024 6.85,1025 19.932,1026 9.872,1027 3.212,1028 0.596,1029 18.195,1030 2.155,1031 11.193,1032 14.008,1033 7.625,1034 22.208,1035 10.793,1036 3.07,1037 11.279,1038 20.034,1039 1.461,1040 12.38,1041 15.569,1042 8.526,1043 24.633,1044 11.941,1045 2.719,1046 10.172,1047 21.883,1048 4.491,1049 13.444,1050 16.933,1051 9.342,1052 26.978,1053 12.955,1054 2.443,1055 8.853,1056 23.742,1057 4.107,1058 14.6,1059 18.446,1060 10.216,1061 29.385,1062 14.07,1063 2.303,1064 7.265,1065 25.608,1066 3.741,1067 15.707,1068 19.869,1069 11.051,1070 31.762,1071 15.13,1072 2.178,1073 6.723,1074 27.48,1075 3.241,1076 16.854,1077 21.363,1078 11.912,1079 34.165,1080 16.234,1081 2.064,1082 5.968,1083 29.357,1084 2.916,1085 17.983,1086 22.815,1087 12.755,1088 36.557,1089 17.317,1090 15438,1091 27426,1092 25.66,1093 37.733,1094 57.807,1095 58.078,1096 58.456,1097 56.905,1098 56.861,1099 76.352,1100 8.579,1101 165.38,1102 54.289,1103 5.41,1104 5.599,1105 6.493,1106 5.253,1107 5.212,1108 7.491,1109 3.925,1110 18.65,1111 5.085,1112 16.316,1113 1.521,1114 1.528,1115 1.538,1116 1.498,1117 1.496,1118 2.009,1119 0.226,1120 4.352,1121 1.429,1122 4.084,1123 4.123,1124 4.052,1125 3.993,1126 7.474,1127 3.999,1128 3.985,1129 4.025,1130 3.961,1131 3.832,1132 6.351,1133 3.864,1134 3.806,1135 3.828,1136 3.746,1137 3.742,1138 5.342,1139 3.739,1140 3.622,1141 3.65,1142 3.528,1143 3.418,1144 4.99,1145 3.435,1146 3.51,1147 3.576,1148 3.445,1149 3.326,1150 4.907,1151 3.346,1152 3.311,1153 3.353,1154 3.211,1155 3.22,1156 4.849,1157 3.21,1158 3.173,1159 3.244,1160 3.098,1161 2.937,1162 4.712,1163 2.967,1164 3.1,1165 3.218,1166 2.992,1167 2.78,1168 4.351,1169 2.822,1170 0.12,1171 0.095,1172 0.179,1173 0.11,1174 0.085,1175 4.549,1176 0.118,1177 3.599,1178 0.062,1179 6.81,1180 0.297,1181 4.172,1182 0.081,1183 3.212,1184 4.491,1185 2.341,1186 11.279,1187 3.085,1188 1.947,1189 1.913,1190 2.027,1191 2.117,1192 1.177,1193 2.082,1194 1.91,1195 1.89,1196 2.006,1197 2.008,1198 1.126,1199 1.998,1200 1.881,1201 1.844,1202 1.932,1203 1.981,1204 1.03,1205 1.991,1206 1.555,1207 1.519,1208 1.778,1209 1.79,1210 0.967,1211 1.78,1212 1.436,1213 1.378,1214 1.594,1215 1.657,1216 0.712,1217 1.643,1218 1.319,1219 1.278,1220 1.514,1221 1.448,1222 0.564,1223 1.47,1224 1.082,1225 1.02,1226 1.287,1227 1.384,1228 0.251,1229 1.365,1230 0.981,1231 0.874,1232 1.254,1233 1.357,1234 0.178,1235 1.332,1236 4.344,1238 5.68,1240 7.207,1241 2.708,1242 8.829,1243 5.38,1244 10.503,1250 11.673,1251 8.862,1252 0.448,1254 5.632,1257 2.135,1262 36.982,1263 91.291,1264 225.594,1265 272.323,1266 297.975,1267 305.975,1268 307.975,1269 53.742,1270 8.688,1271 155.06,1272 155.06,1273 31,1274 12.867,1275 4.7,1276 3.858,1277 49.813,1278 140,1279 180,1280 0.167,1281 225.512,1282 387.41,1283 542.01,1284 83162,1286 23.656,1287 0.696,1288 0.531,1289 23.656,1290 18.049,1291 16.474,1292 0.434,1293 0.278,1294 10.388,1295 15.775,1296 10.221,1297 8.414,1298 16.474,1299 10.557,1300 15.27,1301 0.283,1302 0.142,1303 15.27,1304 7.692,1305 12.492,1306 0.174,1307 0.075,1308 12.492,1309 5.366,1310 10.981,1311 0.111,1312 0.039,1313 10.981,1314 3.833,1315 9.349,1316 0.07,1317 0.02,1318 9.349,1319 2.728,1320 0.259,1321 103.703,1322 0.197,1323 31.176,1324 0.465,1325 184,1326 570.471,1327 204.932,1328 554.258,1329 763.52,1330 518,1331 218,1332 574.248,1333 237.802,1334 578.723,1335 848.75,1336 546,1337 5.959}
{0 CHEMBL84439,1 1.659,2 9.792,3 1.023,4 1.046,5 97.071,6 7.365,7 0.48,8 3.902,9 4.058,10 3.422,11 3.326,12 5.127,13 3.323,14 4.381,15 4.578,16 3.748,17 3.698,18 5.661,19 3.662,20 4.621,21 4.86,22 3.851,23 3.839,24 5.706,25 3.799,26 4.678,27 4.888,28 3.922,29 3.889,30 5.925,31 3.849,32 4.779,33 5.007,34 3.825,35 3.906,36 5.962,37 3.845,38 4.796,39 5.059,40 3.704,41 3.802,42 5.912,43 3.714,44 4.653,45 4.914,46 3.676,47 3.57,48 6.02,49 3.516,50 4.438,51 4.679,52 3.316,53 3.307,54 5.822,55 3.268,56 0.198,57 0.699,58 9.794,59 3.103,60 19.565,61 4.905,62 0.331,63 1.009,64 16.886,65 5.806,66 58.58,67 8.725,68 0.341,69 1.179,70 22.684,71 6.32,72 41.68,73 10.496,74 0.454,75 1.234,76 23.537,77 6.908,78 56.026,79 10.917,80 0.481,81 1.252,82 26.841,83 6.843,84 72.916,85 11.399,86 0.563,87 1.116,88 28.898,89 7.407,90 81.531,91 12.156,92 0.745,93 0.891,94 25.664,95 5.943,96 107,97 9.937,98 0.648,99 0.678,100 20.999,101 3.989,102 105.758,103 6.722,104 49,105 34,106 0.288,107 0.648,108 0.825,109 0.874,110 0.874,111 0.874,112 3.229,113 0.915,114 -3.36,115 -3.34,116 -3.2,119 33.3,120 1,121 2,125 2,139 3,140 2,141 2,143 1,144 1,147 1,157 3,158 3,159 3,160 2,166 5,169 2,170 4,172 3,173 3,175 4,178 5,180 2,182 7,185 1,187 3,189 4,191 1,193 11,195 1,196 3,197 2,198 6,200 3,201 4,204 5,205 1,207 8,212 5,215 5,218 4,220 2,221 3,223 1,224 1,226 3,229 2,231 3,233 4,234 3,236 3,237 5,238 1,239 4,240 1,241 1,243 3,246 2,248 3,249 3,251 2,256 1,260 2,262 2,263 2,264 1,265 2,267 1,268 1,270 2,273 808,274 15.93,275 15.93,276 15.93,277 15.93,278 15.93,279 14.136,280 22.358,281 9.539,282 16.243,283 12.226,284 12.226,285 12.226,286 12.226,287 12.226,288 9.455,289 30.52,290 4.364,291 12.735,292 3.833,293 1.76,294 0.745,295 0.461,296 0.461,297 0.461,298 3.887,301 1,302 1,303 475,304 3.391,307 166.395,314 1.642,315 32.92,318 0.75,319 0.67,320 0.83,321 0.9,323 0.67,324 0.5,325 0.62,326 53.5,327 235,328 4.557,329 3.806,330 6.777,331 4.163,332 3.185,333 4.297,334 2.612,335 11.103,336 3.116,337 4.339,338 3.232,339 6.402,340 3.889,341 2.926,342 4.023,343 0.4,344 9.753,345 2.817,346 3.707,347 2.735,348 5.326,349 3.231,350 2.292,351 3.173,353 6.703,354 2.153,355 3.5,356 2.362,357 5.038,358 2.978,359 2.018,360 2.84,362 5.704,363 1.933,364 3.3,365 2.224,366 4.918,367 2.934,368 1.986,369 2.549,371 5.351,372 1.878,373 3.126,374 1.932,375 4.77,376 2.733,377 1.782,378 2.338,380 5.001,381 1.689,382 2.652,383 1.712,384 3.672,385 2.535,386 1.558,387 1.646,389 3.078,390 1.519,391 2.595,392 1.368,393 3.58,394 2,395 1,396 1.59,398 2.424,399 1,400 1.9,401 1.032,402 3.335,403 1.74,404 0.797,405 0.853,407 1.497,408 0.75,409 1.684,410 1,411 2.891,412 1.513,413 0.536,414 0.598,415 0.949,416 0.523,417 1.334,418 0.664,419 2.729,420 1.063,421 0.112,422 0.13,423 0.212,424 0.106,425 1.044,426 0.26,427 2.426,428 0.743,429 -0.2,430 -0.232,431 -0.411,432 -0.188,433 1,434 -0.005,435 2.276,436 0.438,437 -0.478,438 -0.587,439 -1.146,440 -0.437,441 0.825,442 -0.305,443 2.215,444 0.298,445 -0.656,446 -0.77,448 -1.353,449 -0.624,450 0.655,451 -0.406,452 1.895,453 0.161,454 -0.816,455 -1.009,457 -2,458 -0.792,459 10.967,460 0.457,461 0.613,462 0.026,463 32,464 1.333,465 16.5,466 0.688,467 15.5,468 0.646,469 18.045,470 0.752,471 27.433,472 0.61,473 25.037,474 1.043,475 6.202,476 0.258,477 5.271,478 0.22,479 0.216,481 0.356,485 0.724,486 1.307,487 0.858,488 1.014,489 0.784,490 0.951,491 0.474,492 1.143,493 0.746,494 1.116,495 0.383,496 1.002,497 0.773,498 1.104,499 0.769,500 0.926,501 0.571,502 0.839,503 0.838,504 1.209,505 0.938,506 1.177,507 0.791,508 1.09,509 1.224,510 1.209,511 1.192,512 1.189,513 1.148,514 1.174,515 1.068,516 1.031,517 1.008,518 1.086,519 1.171,520 1.049,521 0.916,522 0.895,523 0.865,524 0.976,525 1.093,526 0.933,527 1.989,528 0.891,529 1.341,530 0.896,531 2.144,532 1.003,533 5,534 0.07,535 2.667,536 2.313,537 1.578,538 1.028,539 0.831,540 0.411,541 0.238,542 0.086,543 5273,544 16457,545 1.925,546 46.7,547 3,548 7,551 7,552 2,554 2,555 1.674,556 1.756,557 3.21,558 4.575,559 1,560 1,564 74.64,565 1.659,566 3.732,567 4.747,568 5.031,569 5.031,570 5.031,571 2.757,572 4.418,573 4.549,574 3.37,575 930.08,576 7.882,577 10751.5,579 1,582 247.133,583 1.555,584 4.483,585 0.2,586 0.008,587 0.078,588 0.061,589 0.04,590 0.03,591 0.029,592 0.015,593 0.013,594 0.007,595 0.482,596 0.17,597 1,598 1.639,599 113.009,600 0.034,601 0.069,602 -0.003,603 0.143,604 -0.123,605 0.078,606 0.251,607 0.062,608 0.138,609 0.031,610 0.267,611 0.056,612 -0.039,613 -0.007,614 0.155,615 0.13,616 0.014,617 0.184,618 0.052,619 -0.072,620 -0.015,621 -0.105,622 0.048,623 -0.08,624 -0.256,625 -0.132,626 -0.246,627 -0.175,628 -0.181,629 -0.196,630 -0.067,631 -0.104,632 -0.022,633 -0.105,634 -0.135,635 -0.063,636 0.318,637 -0.016,638 0.169,639 -0.064,640 0.211,641 0.006,642 -0.319,643 -0.029,644 -0.26,645 -0.038,646 -0.225,647 -0.131,648 2.436,649 4.39,650 0.5,651 20.833,652 1.012,653 1.151,654 2.128,655 4.528,656 0.628,657 3.258,658 3.555,659 3.807,660 4.078,661 4.263,662 4.331,663 4.407,664 4.394,665 4.394,666 4.248,667 5.652,668 0.606,669 331.43,670 3.258,671 4.779,672 5.617,673 6.497,674 7.362,675 8.252,676 9.129,677 10.023,678 10.905,679 11.801,680 15.6,681 1,684 2,685 1,690 2,691 1,695 3,696 2,700 7,702 12,711 2,712 1,713 1,718 45,719 14,720 1,721 25,723 46,724 15,725 10,726 3,727 3,729 2,730 2,734 2,739 2,741 10,742 5,744 2,746 1,748 2,753 1,754 1,757 21,758 8,759 7,760 9,764 7,769 1,770 2,776 1,781 2,797 1,802 2,806 1,810 24,811 3,816 4,817 1,829 4.4,835 2,836 13.667,837 7.933,838 5.556,839 2.657,840 2.482,841 1.372,842 0.958,843 6.034,844 9.147,845 3.526,846 4.127,847 4.677,848 5.273,849 5.805,850 6.109,851 6.48,852 6.75,853 7.074,854 7.221,855 0.857,856 38,857 8.825,859 3.671,860 8.09,861 16.267,863 12.694,865 2.59,866 62.167,870 164.795,871 65.403,872 155.943,874 50.747,877 65.403,878 215.542,879 155.943,880 14.495,881 42.178,882 94.223,883 51.582,884 14.641,885 4.227,886 164.795,887 50.747,888 164.795,889 221.346,890 50.747,893 141.253,894 23.542,895 50.747,897 55.659,898 108.436,899 57.252,901 164.795,902 206.69,903 65.403,906 164.795,907 28.149,908 42.924,909 18.011,910 183.01,911 164.795,912 206.69,913 65.403,915 0.567,916 0.334,917 0.189,918 0.104,919 14,920 8,921 0.152,922 7,924 1,925 3.412,926 187.638,928 12,929 108.039,933 18.072,934 8.013,935 4.186,937 201.02,938 4.872,939 8.135,943 2.495,945 116.702,946 436.889,947 33,949 -0.436,951 22.78,956 45.552,957 51.813,958 0.302,959 0.679,960 0.864,961 0.916,962 0.916,963 0.916,964 4.745,965 1,966 5.609,967 3.078,968 4.234,969 4.812,970 2.527,971 6.438,972 4.158,973 5.965,974 0.797,975 7.183,976 2.424,977 3.892,978 4.783,979 2.361,980 7.42,981 3.78,982 7.288,983 0.536,984 8.862,985 1.497,986 5.832,987 7.051,988 4.155,989 10.534,990 5.69,991 8.651,992 0.112,993 10.602,994 0.949,995 6.293,996 7.803,997 4.506,998 12.348,999 6.128,1000 10.044,1001 -0.2,1002 12.382,1003 0.212,1004 7.736,1005 9.591,1006 5.948,1007 14.992,1008 7.544,1009 11.46,1010 -0.478,1011 14.189,1012 -0.411,1013 8.571,1014 10.696,1015 6.556,1016 17.147,1017 8.36,1018 12.894,1019 -0.656,1020 16.016,1021 -1.146,1022 9.822,1023 12.293,1024 7.794,1025 19.626,1026 9.587,1027 3.185,1028 -0.816,1029 17.859,1030 -1.353,1031 10.829,1032 13.567,1033 8.548,1034 21.919,1035 10.574,1036 2.926,1037 11.103,1038 19.714,1039 -2,1040 12.007,1041 15.08,1042 9.67,1043 24.338,1044 11.73,1045 2.292,1046 9.753,1047 21.578,1048 4.297,1049 13.089,1050 16.437,1051 10.509,1052 26.688,1053 12.792,1054 2.018,1055 6.703,1056 23.449,1057 4.023,1058 14.24,1059 17.912,1060 11.563,1061 29.087,1062 13.922,1063 1.986,1064 5.704,1065 25.327,1066 3.173,1067 15.356,1068 19.31,1069 12.452,1070 31.461,1071 15.016,1072 1.782,1073 5.351,1074 27.209,1075 2.84,1076 16.499,1077 20.767,1078 13.468,1079 33.855,1080 16.139,1081 1.558,1082 5.001,1083 29.094,1084 2.549,1085 17.629,1086 22.187,1087 14.386,1088 36.241,1089 17.248,1090 5519,1091 9889,1092 15.72,1093 28.279,1094 36.352,1095 37.903,1096 39.037,1097 36.437,1098 36.386,1099 48.073,1100 6.025,1101 103.551,1102 34.966,1103 5.404,1104 5.806,1105 6.686,1106 5.233,1107 5.185,1108 7.297,1109 4.612,1110 17.995,1111 5.116,1112 15.118,1113 1.454,1114 1.516,1115 1.561,1116 1.457,1117 1.455,1118 1.923,1119 0.241,1120 4.142,1121 1.399,1122 4.055,1123 4.086,1124 4.025,1125 3.946,1126 7.815,1127 3.957,1128 3.833,1129 3.883,1130 3.804,1131 3.647,1132 6.999,1133 3.672,1134 3.64,1135 3.719,1136 3.494,1137 3.451,1138 5.285,1139 3.443,1140 3.458,1141 3.496,1142 3.402,1143 3.195,1144 5.008,1145 3.19,1146 3.39,1147 3.476,1148 3.204,1149 3.032,1150 4.98,1151 3.124,1152 3.179,1153 3.29,1154 3.038,1155 2.905,1156 4.695,1157 2.928,1158 3.056,1159 3.183,1160 2.886,1161 2.74,1162 4.416,1163 2.759,1164 2.834,1165 2.94,1166 2.649,1167 2.576,1168 4.086,1169 2.59,1170 0.182,1171 0.152,1172 0.271,1173 0.167,1174 0.127,1175 4.557,1176 0.172,1177 3.806,1178 0.104,1179 6.777,1180 0.444,1181 4.163,1182 0.125,1183 3.185,1184 4.297,1185 2.612,1186 11.103,1187 3.116,1188 1.979,1189 1.955,1190 2.054,1191 2.122,1192 1.228,1193 2.093,1194 1.746,1195 1.697,1196 1.918,1197 1.964,1198 1.164,1199 1.935,1200 1.612,1201 1.538,1202 1.848,1203 1.849,1204 1.016,1205 1.848,1206 1.385,1207 1.301,1208 1.626,1209 1.646,1210 0.631,1211 1.659,1212 1.186,1213 1.152,1214 1.428,1215 1.619,1216 0.5,1217 1.536,1218 1.109,1219 1.008,1220 1.285,1221 1.445,1222 0.213,1223 1.448,1224 0.965,1225 0.857,1226 1.257,1227 1.355,1228 0.139,1229 1.342,1230 0.796,1231 0.694,1232 1.128,1233 1.102,1234 0.079,1235 1.12,1236 3.932,1238 5.231,1240 6.737,1242 8.351,1244 10.025,1246 1.905,1250 17.023,1252 2.371,1253 3.022,1262 27.267,1263 74.64,1264 167.918,1265 213.624,1266 226.379,1267 226.379,1268 226.379,1269 59.917,1270 6.664,1271 161.69,1272 161.69,1273 12,1274 12.329,1275 3.907,1276 3.17,1277 48.195,1278 80,1279 102,1280 0.305,1281 174.93,1282 297.64,1283 418.588,1284 5607,1286 17.69,1287 0.737,1288 0.56,1289 17.69,1290 13.451,1291 11.473,1292 0.459,1293 0.305,1294 7.494,1295 10.907,1296 7.345,1297 6.155,1298 11.473,1299 7.621,1300 10.036,1301 0.295,1302 0.153,1303 10.036,1304 5.2,1305 7.873,1306 0.179,1307 0.081,1308 7.873,1309 3.544,1310 6.798,1311 0.117,1312 0.042,1313 6.798,1314 2.429,1315 5.214,1316 0.074,1317 0.023,1318 5.214,1319 1.587,1320 0.466,1321 72.937,1322 0.252,1323 23.152,1324 0.871,1325 118,1326 386.676,1327 132.974,1328 377.092,1329 504.37,1330 346,1331 137,1332 377.802,1333 151.007,1334 376.291,1335 544.35,1336 353,1337 6}
{0 CHEMBL84440,1 1.686,2 9.087,3 0.96,4 0.922,5 92.206,6 7.557,7 0.5,8 3.842,9 3.997,10 3.383,11 3.26,12 5.095,13 3.267,14 4.308,15 4.5,16 3.716,17 3.63,18 5.628,19 3.606,20 4.536,21 4.766,22 3.823,23 3.773,24 5.673,25 3.747,26 4.594,27 4.79,28 3.891,29 3.832,30 5.874,31 3.804,32 4.712,33 4.929,34 3.799,35 3.851,36 5.935,37 3.799,38 4.751,39 5.016,40 3.654,41 3.723,42 5.905,43 3.64,44 4.577,45 4.847,46 3.583,47 3.438,48 6.041,49 3.387,50 4.257,51 4.495,52 3.122,53 3.134,54 5.55,55 3.099,56 0.205,57 0.66,58 8.873,59 2.776,60 19.429,61 4.369,62 0.339,63 0.948,64 15.261,65 5.242,66 58.277,67 7.818,68 0.367,69 1.107,70 20.344,71 5.727,72 40.997,73 9.297,74 0.429,75 1.163,76 20.774,77 6.271,78 50.793,79 9.746,80 0.473,81 1.184,82 24.314,83 6.363,84 70.533,85 10.394,86 0.624,87 1.035,88 27.772,89 6.801,90 86.352,91 11.223,92 0.83,93 0.774,94 24.329,95 5.188,96 126.836,97 8.934,98 0.531,99 0.561,100 17.461,101 3.404,102 82.022,103 5.515,104 48,105 33,106 0.297,107 0.658,108 0.818,109 0.872,110 0.872,111 0.872,112 3.189,113 0.89,114 -3.1,115 -3.1,116 -2.98,119 33.3,120 1,121 1,125 2,139 3,140 2,141 2,143 1,144 1,147 1,157 3,158 3,159 3,160 2,166 5,169 2,170 4,172 3,173 3,175 2,178 5,180 1,182 7,185 1,186 1,187 3,188 1,189 4,191 1,193 11,195 1,196 3,197 1,198 6,200 2,201 3,204 5,205 1,207 7,212 6,215 3,218 5,220 2,221 1,223 2,224 2,226 4,229 1,231 4,233 4,234 3,236 4,237 6,238 1,239 3,240 1,243 2,246 2,248 1,249 1,251 2,256 1,262 2,263 2,264 1,267 1,273 708,274 15.223,275 15.223,276 15.223,277 15.223,278 15.223,279 13.429,280 20.314,281 9.039,282 15.538,283 11.726,284 11.726,285 11.726,286 11.726,287 11.726,288 8.955,289 27.288,290 4.11,291 12.243,292 3.706,293 1.659,294 0.75,295 0.447,296 0.447,297 0.447,298 3.845,301 1,302 1,303 422,304 3.24,307 156.519,314 1.403,315 32.255,318 0.75,319 0.67,320 0.83,321 0.7,323 0.67,324 0.5,325 0.59,326 51.5,327 209,328 4.557,329 3.806,330 6.777,331 4.163,332 3.185,333 4.297,334 2.612,335 11.103,336 3.116,337 4.339,338 3.232,339 6.402,340 3.889,341 2.926,342 4.023,343 0.4,344 9.753,345 2.817,346 3.707,347 2.735,348 5.326,349 3.231,350 2.292,351 3.173,353 6.703,354 2.153,355 3.5,356 2.361,357 5.038,358 2.97,359 2.011,360 2.839,362 5.704,363 1.924,364 3.3,365 2.224,366 4.918,367 2.933,368 1.985,369 2.549,371 5.347,372 1.877,373 3.124,374 1.924,375 4.77,376 2.723,377 1.773,378 2.337,380 5.001,381 1.676,382 2.616,383 1.637,384 3.639,385 2.347,386 1.386,387 1.6,389 2.641,390 1.329,391 2.471,392 1.318,393 3.473,394 2,395 1,396 1.47,398 2.422,399 1,400 1.766,401 1,402 3.298,403 1.578,404 0.604,405 0.676,407 1.183,408 0.587,409 1.503,410 0.796,411 2.757,412 1.298,413 0.355,414 0.392,415 0.57,416 0.334,417 1.234,418 0.569,419 2.583,420 0.937,425 1,426 0.14,427 2.4,428 0.5,429 -0.447,430 -0.545,431 -0.971,432 -0.42,433 0.849,434 -0.173,435 2.257,436 0.435,437 -0.483,438 -0.59,439 -1.152,440 -0.443,441 0.817,442 -0.305,443 2.1,444 0.168,445 -0.813,446 -0.995,448 -1.964,449 -0.792,450 0.63,451 -0.638,452 1.819,453 0.026,454 -0.923,455 -1.178,457 -2,458 -0.879,459 10.467,460 0.455,461 0.613,462 0.027,463 31.5,464 1.37,465 16.5,466 0.717,467 15,468 0.652,469 16.404,470 0.713,471 26.133,472 0.622,473 24.516,474 1.066,475 6.196,476 0.269,477 4.777,478 0.208,479 0.226,481 0.373,485 0.731,486 1.297,487 0.838,488 0.979,489 0.794,490 0.916,491 0.481,492 1.124,493 0.714,494 1.081,495 0.391,496 0.963,497 0.778,498 1.046,499 0.768,500 0.896,501 0.581,502 0.82,503 0.86,504 1.282,505 0.947,506 1.227,507 0.807,508 1.122,509 1.205,510 1.303,511 1.213,512 1.288,513 1.151,514 1.249,515 1.078,516 0.996,517 1.033,518 1.083,519 1.193,520 1.061,521 0.872,522 0.782,523 0.85,524 0.865,525 1.014,526 0.869,527 2.094,528 0.923,529 1.36,530 0.902,531 2.287,532 1.001,533 5,534 0.054,535 2.667,536 2.313,537 1.578,538 1.028,539 0.831,540 0.333,541 0.217,542 0.086,543 4564,544 15024,545 1.922,546 45.2,547 3,548 7,551 7,552 2,555 1.663,556 1.747,557 3.121,558 4.659,560 1,562 1,564 70.812,565 1.686,566 3.733,567 4.642,568 4.946,569 4.946,570 4.946,571 2.72,572 4.35,573 4.49,574 3.261,575 825.073,576 7.768,577 9181.7,578 1,579 1,582 226.477,583 1.565,584 4.417,585 0.208,586 0.008,587 0.081,588 0.063,589 0.042,590 0.031,591 0.031,592 0.014,593 0.014,594 0.008,595 0.499,596 0.17,597 1,598 1.479,599 106.025,600 0.02,601 0.067,602 -0.007,603 0.158,604 -0.14,605 0.088,606 0.248,607 0.08,608 0.157,609 0.059,610 0.263,611 0.084,612 -0.038,613 0.068,614 0.143,615 0.159,616 0.009,617 0.196,618 0.014,619 -0.123,620 -0.049,621 -0.138,622 0.027,623 -0.112,624 -0.26,625 -0.216,626 -0.286,627 -0.26,628 -0.189,629 -0.269,630 -0.066,631 -0.094,632 -0.035,633 -0.125,634 -0.148,635 -0.082,636 0.392,637 0.042,638 0.211,639 0.014,640 0.331,641 0.06,642 -0.476,643 -0.09,644 -0.284,645 -0.022,646 -0.421,647 -0.111,648 2.456,649 4.314,650 0.522,651 18.208,652 1.016,653 1.152,654 1.872,655 3.504,656 0.631,657 3.219,658 3.526,659 3.784,660 4.06,661 4.248,662 4.304,663 4.369,664 4.344,665 4.344,666 4.159,667 5.308,668 0.613,669 317.4,670 3.219,671 4.745,672 5.587,673 6.472,674 7.341,675 8.235,676 9.114,677 10.01,678 10.893,679 11.791,680 16.7,681 1,684 2,685 1,690 2,691 1,695 3,696 2,700 7,702 12,711 2,712 1,713 1,718 42,719 14,720 1,721 24,723 43,724 14,725 10,726 3,727 3,729 2,730 2,734 2,739 1,741 10,742 4,744 2,746 1,748 2,753 1,754 1,757 19,758 8,759 7,760 9,764 7,769 1,770 2,776 1,781 2,797 1,802 2,806 1,810 23,811 3,816 3,817 1,829 4.8,835 2,836 13.167,837 7.433,838 5.306,839 2.407,840 2.496,841 1.379,842 0.962,843 5.444,844 9.081,845 3.497,846 4.111,847 4.668,848 5.268,849 5.802,850 6.102,851 6.47,852 6.735,853 7.06,854 7.194,855 1,856 37,857 8.443,859 3.525,860 8.138,861 15.45,863 12.028,865 2.638,866 60.667,870 141.253,871 62.868,872 155.943,874 50.747,877 62.868,878 192,879 155.943,880 14.495,881 39.643,882 94.223,883 51.582,884 14.641,885 4.227,886 141.253,887 50.747,888 141.253,889 218.812,890 50.747,893 141.253,895 50.747,897 53.124,898 108.436,899 57.252,901 141.253,902 206.69,903 62.868,906 141.253,907 25.614,908 42.924,909 18.011,910 183.01,911 141.253,912 206.69,913 62.868,915 0.57,916 0.338,917 0.194,918 0.109,919 14,920 8,921 0.14,922 6,924 1,925 3.296,926 178.648,928 12,929 102.042,933 17.087,934 7.328,935 3.737,937 201.02,938 4.803,939 8.108,943 2.406,945 116.702,946 410.812,947 32,949 -0.456,951 22.628,956 42.669,957 48.398,958 0.313,959 0.692,960 0.861,961 0.917,962 0.917,963 0.917,964 4.718,965 1,966 5.587,967 2.641,968 4.205,969 4.796,970 2.527,971 6.425,972 4.126,973 5.947,974 0.604,975 7.168,976 2.422,977 3.892,978 4.783,979 2.361,980 7.42,981 3.78,982 7.275,983 0.355,984 8.852,985 1.183,986 5.814,987 7.046,988 4.155,989 10.531,990 5.67,991 8.642,993 10.596,994 0.57,995 6.293,996 7.803,997 4.506,998 12.348,999 6.128,1000 10.038,1001 -0.447,1002 12.378,1004 7.727,1005 9.59,1006 5.948,1007 14.992,1008 7.533,1009 11.456,1010 -0.483,1011 14.186,1012 -0.971,1013 8.571,1014 10.696,1015 6.556,1016 17.147,1017 8.36,1018 12.891,1019 -0.813,1020 16.015,1021 -1.152,1022 9.818,1023 12.293,1024 7.794,1025 19.625,1026 9.582,1027 3.185,1028 -0.923,1029 17.858,1030 -1.964,1031 10.829,1032 13.567,1033 8.548,1034 21.919,1035 10.574,1036 2.926,1037 11.103,1038 19.713,1039 -2,1040 12.005,1041 15.08,1042 9.67,1043 24.338,1044 11.728,1045 2.292,1046 9.753,1047 21.578,1048 4.297,1049 13.089,1050 16.437,1051 10.509,1052 26.688,1053 12.792,1054 2.011,1055 6.703,1056 23.449,1057 4.023,1058 14.24,1059 17.912,1060 11.563,1061 29.087,1062 13.921,1063 1.985,1064 5.704,1065 25.327,1066 3.173,1067 15.355,1068 19.31,1069 12.452,1070 31.461,1071 15.016,1072 1.773,1073 5.347,1074 27.209,1075 2.839,1076 16.499,1077 20.767,1078 13.468,1079 33.855,1080 16.138,1081 1.386,1082 5.001,1083 29.094,1084 2.549,1085 17.629,1086 22.187,1087 14.386,1088 36.241,1089 17.248,1090 4795,1091 8823,1092 15.027,1093 26.517,1094 35.101,1095 36.716,1096 37.796,1097 35.094,1098 35.036,1099 46.712,1100 6.025,1101 100.855,1102 33.624,1103 5.355,1104 5.806,1105 6.639,1106 5.233,1107 5.185,1108 7.297,1109 4.612,1110 17.995,1111 5.116,1112 14.6,1113 1.463,1114 1.53,1115 1.575,1116 1.462,1117 1.46,1118 1.946,1119 0.251,1120 4.202,1121 1.401,1122 4.054,1123 4.085,1124 4.024,1125 3.945,1126 7.815,1127 3.956,1128 3.832,1129 3.882,1130 3.803,1131 3.644,1132 6.999,1133 3.67,1134 3.569,1135 3.654,1136 3.46,1137 3.331,1138 5.285,1139 3.331,1140 3.449,1141 3.493,1142 3.356,1143 3.193,1144 5.011,1145 3.189,1146 3.389,1147 3.47,1148 3.204,1149 3.031,1150 4.98,1151 3.124,1152 3.103,1153 3.215,1154 2.982,1155 2.843,1156 4.689,1157 2.866,1158 2.959,1159 3.088,1160 2.786,1161 2.626,1162 4.414,1163 2.654,1164 2.776,1165 2.896,1166 2.567,1167 2.461,1168 4.016,1169 2.483,1170 0.19,1171 0.159,1172 0.282,1173 0.173,1174 0.133,1175 4.557,1176 0.179,1177 3.806,1178 0.109,1179 6.777,1180 0.463,1181 4.163,1182 0.13,1183 3.185,1184 4.297,1185 2.612,1186 11.103,1187 3.116,1188 1.979,1189 1.954,1190 2.052,1191 2.121,1192 1.21,1193 2.092,1194 1.741,1195 1.694,1196 1.891,1197 1.963,1198 1.067,1199 1.928,1200 1.515,1201 1.429,1202 1.786,1203 1.797,1204 0.969,1205 1.788,1206 1.383,1207 1.299,1208 1.621,1209 1.643,1210 0.609,1211 1.658,1212 1.186,1213 1.152,1214 1.291,1215 1.608,1216 0.215,1217 1.528,1218 1.009,1219 0.924,1220 1.262,1221 1.374,1222 0.213,1223 1.357,1224 0.87,1225 0.748,1226 1.218,1227 1.264,1228 0.122,1229 1.263,1230 0.73,1231 0.609,1232 1.113,1233 1.074,1234 0.024,1235 1.096,1236 3.892,1238 5.198,1240 6.713,1242 8.334,1244 10.014,1246 1.899,1250 16.966,1252 1.387,1253 2.926,1262 25.74,1263 70.812,1264 156.787,1265 194.968,1266 207.722,1267 207.722,1268 207.722,1269 55.212,1270 6.585,1271 161.69,1272 161.69,1273 12,1274 12.317,1275 3.907,1276 3.17,1277 44.99,1278 72,1279 87,1280 0.317,1281 165.337,1282 280.34,1283 395.183,1284 4984,1286 16.983,1287 0.738,1288 0.554,1289 16.983,1290 12.744,1291 10.973,1292 0.457,1293 0.297,1294 6.994,1295 10.408,1296 6.855,1297 5.739,1298 10.973,1299 7.121,1300 9.683,1301 0.293,1302 0.147,1303 9.683,1304 4.847,1305 7.623,1306 0.177,1307 0.077,1308 7.623,1309 3.307,1310 6.608,1311 0.116,1312 0.041,1313 6.608,1314 2.311,1315 5.146,1316 0.075,1317 0.022,1318 5.146,1319 1.518,1320 0.48,1321 69.937,1322 0.258,1323 22.149,1324 0.921,1325 114,1326 382.676,1327 128.974,1328 372.93,1329 498.61,1330 342,1331 133,1332 373.802,1333 147.034,1334 372.13,1335 538.61,1336 349,1337 5.585}
{0 CHEMBL84457,1 1.588,2 9.391,3 1.862,4 3.467,5 91.125,6 7.571,7 0.68,8 3.828,9 3.967,10 3.398,11 3.307,12 5.019,13 3.312,14 4.297,15 4.482,16 3.742,17 3.664,18 5.452,19 3.649,20 4.45,21 4.628,22 3.843,23 3.802,24 5.556,25 3.778,26 4.591,27 4.795,28 3.78,29 3.822,30 5.73,31 3.755,32 4.696,33 4.971,34 3.499,35 3.765,36 5.659,37 3.651,38 4.512,39 4.796,40 3.379,41 3.626,42 5.419,43 3.491,44 4.34,45 4.602,46 3.351,47 3.494,48 5.306,49 3.4,50 4.225,51 4.461,52 3.275,53 3.399,54 5.241,55 3.312,56 0.067,57 0.657,58 8.366,59 3.045,60 11.504,61 4.243,62 0.266,63 0.968,64 15.027,65 5.356,66 25.826,67 7.351,68 0.192,69 1.135,70 16.97,71 5.786,72 17.07,73 8.401,74 0.317,75 1.221,76 20.489,77 6.971,78 36.513,79 9.996,80 0.455,81 1.19,82 25.786,83 6.599,84 50.044,85 10.504,86 0.291,87 0.97,88 21.508,89 7.116,90 34.547,91 10.763,92 0.261,93 0.832,94 17.755,95 5.601,96 28.712,97 8.44,98 0.2,99 0.761,100 15.274,101 5.065,102 23.368,103 7.364,104 18,105 35,106 0.279,107 0.668,108 0.816,109 0.867,110 0.876,111 0.876,112 3.188,113 0.857,114 -3.65,115 -3.62,116 -3.45,119 39,120 1,124 1,125 1,139 4,140 3,141 2,142 1,144 1,146 1,147 1,157 2,158 2,159 2,166 6,169 2,170 5,172 3,173 3,175 3,178 5,180 1,182 5,185 1,187 4,189 1,191 1,192 1,193 6,195 3,196 4,197 1,198 6,200 2,201 1,204 3,205 1,207 1,212 1,215 3,218 1,221 2,224 2,225 1,226 2,228 1,229 5,231 2,233 1,234 4,241 5,246 3,250 1,251 1,253 1,254 2,256 1,259 2,260 4,262 1,263 1,265 2,270 2,273 686,274 15.508,275 15.508,276 15.508,277 15.508,278 15.508,279 13.347,280 19.439,281 9.027,282 15.968,283 12.244,284 12.244,285 12.244,286 12.244,287 12.244,288 8.997,289 27.377,290 4.156,291 12.904,292 3.77,293 1.56,294 0.72,295 0.427,296 0.378,297 0.378,298 3.868,300 1,301 1,302 1,303 459,304 2.646,307 187.505,311 97.113,314 1.505,315 19.456,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 50,327 216,328 4.654,329 3.316,330 6.835,331 4.185,332 3.212,333 4.616,334 0.86,335 11.231,336 3.13,337 4.195,338 3.09,339 6.132,340 3.794,341 2.84,342 3.801,343 0.657,344 8.99,345 2.706,346 3.9,347 2.728,348 5.796,349 3.488,350 2.531,351 3.407,353 7.842,354 2.422,355 3.454,356 2.233,357 5.097,358 2.99,359 2.055,360 2.861,362 5.917,363 1.914,364 3.388,365 2.065,366 5.009,367 2.904,368 1.983,369 2.711,371 5.795,372 1.822,373 2.927,374 1.985,375 4.419,376 2.563,377 1.629,378 2.099,380 4.289,381 1.519,382 2.916,383 1.649,384 4.224,385 2.453,386 1.474,387 2.059,389 3.518,390 1.435,391 2.703,392 1.496,393 3.632,394 2.296,395 1.34,396 1.774,398 3.05,399 1.277,400 2.044,401 0.958,402 3.311,403 1.738,404 0.791,405 0.962,407 1.829,408 0.746,409 1.675,410 0.931,411 2.855,412 1.373,413 0.487,414 0.558,415 0.806,416 0.427,417 1.35,418 0.335,419 2.818,420 0.977,421 0.054,422 0.067,423 0.119,424 0.05,425 1.188,426 0.108,427 2.675,428 0.836,429 -0.116,430 -0.142,431 -0.3,432 -0.11,433 0.934,434 -0.184,435 2.533,436 0.501,437 -0.419,438 -0.537,439 -1.004,440 -0.383,441 0.717,442 -0.307,443 2.079,444 0.354,445 -0.572,446 -0.678,448 -1.243,449 -0.525,450 0.569,451 -0.583,452 2,453 0.129,454 -0.81,455 -1.022,457 -1.925,458 -0.747,459 10.733,460 0.467,461 0.575,462 0.025,463 33.5,464 1.457,465 18,466 0.783,467 15.5,468 0.674,469 15.513,470 0.674,471 24.667,472 0.602,473 23.488,474 1.021,475 6.801,476 0.296,477 4.295,478 0.187,479 0.168,481 0.373,485 1.093,486 1.323,487 0.821,488 1.026,489 1.255,490 0.89,491 0.959,492 0.876,493 0.743,494 0.829,495 0.624,496 0.777,497 0.982,498 1.363,499 0.911,500 1.142,501 0.849,502 1.032,503 0.93,504 1.259,505 1.131,506 1.343,507 0.732,508 1.295,509 1.369,510 0.862,511 1.282,512 0.893,513 1.402,514 1.03,515 0.584,516 0.791,517 0.876,518 0.97,519 0.741,520 0.971,521 0.887,522 0.874,523 0.88,524 0.905,525 0.902,526 0.893,527 1.069,528 1.087,529 0.991,530 1.114,531 0.933,532 1.068,533 4.5,534 0.099,535 2.889,536 2,537 1.551,538 0.701,539 0.345,540 0.318,541 0.25,542 0.131,543 5457,544 15287,545 2.041,546 43.9,547 3,548 9,550 1,551 5,555 1.657,556 1.89,557 3.199,558 2.718,559 1,560 1,562 1,564 65.091,565 1.588,566 3.797,567 4.638,568 4.93,569 4.979,570 4.979,571 2.703,572 4.176,573 4.498,574 3.359,575 849.834,576 7.74,577 9597.34,578 1,579 1,581 1,582 219.66,583 1.478,584 4.443,585 0.18,586 0.009,587 0.083,588 0.053,589 0.047,590 0.029,591 0.016,592 0.014,593 0.013,594 0.008,595 0.451,596 0.17,597 1,598 0.832,599 107.242,600 -0.169,601 -0.092,602 0.018,603 0.017,604 -0.28,605 0.052,606 0.113,607 0.229,608 0.173,609 0.193,610 0.213,611 0.183,612 -0.043,613 -0.238,614 -0.021,615 -0.122,616 -0.05,617 -0.075,618 0.062,619 -0.194,620 -0.208,621 -0.354,622 0.169,623 -0.344,624 -0.338,625 0.098,626 -0.275,627 0.017,628 -0.358,629 -0.09,630 0.138,631 0.094,632 0.114,633 0.038,634 0.094,635 0.067,636 0.036,637 0.039,638 0.112,639 0.098,640 -0.004,641 0.119,642 -0.047,643 -0.15,644 -0.017,645 -0.099,646 -0.019,647 -0.066,648 1.54,649 1.968,650 0.696,651 17.558,652 1.006,653 1.139,654 2.421,655 5.863,656 0.66,657 3.258,658 3.584,659 3.871,660 4.127,661 4.304,662 4.331,663 4.357,664 4.443,665 4.522,666 4.533,667 5.649,668 0.634,669 310.4,670 3.258,671 4.796,672 5.652,673 6.535,674 7.405,675 8.293,676 9.169,677 10.059,678 10.938,679 11.83,680 14.6,684 2,685 1,690 3,694 2,695 5,696 3,700 6,702 17,711 2,712 1,716 1,718 41,719 17,720 1,721 25,723 43,724 16,725 13,726 2,727 4,729 3,730 4,734 1,741 13,742 3,753 1,754 1,757 18,758 7,759 5,760 7,764 6,769 0.667,770 1,775 1,776 1,781 3,785 1,802 2,806 2,810 23,811 2,816 1,817 1,818 1,829 2.4,834 1,836 12.167,837 7.85,838 5.139,839 2.15,840 3.405,841 1.486,842 1.002,843 4.279,844 10.406,845 3.541,846 4.205,847 4.84,848 5.447,849 6.004,850 6.258,851 6.563,852 6.927,853 7.304,854 7.405,855 1,856 38,857 8.406,859 3.48,860 7.754,861 15.862,863 12.541,865 2.254,866 51.833,870 153.024,871 91.653,872 134.162,874 11,877 91.653,878 164.024,879 134.162,880 19.708,881 2.106,882 103.699,883 80.138,884 38.707,885 4.227,886 141.253,888 153.024,889 225.815,890 11,893 154.74,894 11,897 21.877,898 133.855,899 68.367,901 153.024,902 145.162,903 91.653,906 153.024,907 24.992,908 66.661,909 18.011,910 127.151,911 153.024,912 145.162,913 91.653,915 0.581,916 0.354,917 0.196,918 0.098,919 17,920 8,921 0.093,922 4,923 1,924 1.125,925 3.463,926 182.939,927 0.125,928 16,929 104.042,933 15.466,934 6.363,935 3.042,936 1.243,937 145.162,938 9.509,939 12.469,943 4.155,945 83.805,946 389.839,947 33.5,956 41.24,957 46.69,958 0.296,959 0.709,960 0.866,961 0.92,962 0.929,963 0.929,964 4.764,965 1.34,966 5.645,967 3.518,968 4.263,969 4.89,970 1.207,971 6.475,972 4.166,973 5.997,974 0.791,975 7.22,976 3.05,977 3.892,978 4.808,980 7.434,981 3.768,982 7.325,983 0.487,984 8.897,985 1.829,986 5.872,987 7.196,988 0.903,989 10.547,990 5.701,991 8.691,992 0.054,993 10.634,994 0.806,995 6.312,996 7.932,998 12.336,999 6.122,1000 10.089,1001 -0.116,1002 12.409,1003 0.119,1004 7.775,1005 9.808,1006 0.678,1007 14.982,1008 7.548,1009 11.511,1010 -0.419,1011 14.211,1012 -0.3,1013 8.595,1014 10.943,1016 17.121,1017 8.35,1018 12.951,1019 -0.572,1020 16.034,1021 -1.004,1022 9.856,1023 12.608,1024 0.512,1025 19.61,1026 9.58,1027 3.212,1028 -0.81,1029 17.872,1030 -1.243,1031 10.853,1032 13.942,1034 21.901,1035 10.558,1036 2.84,1037 11.231,1038 19.722,1039 -1.925,1040 12.037,1041 15.518,1042 0.387,1043 24.336,1044 11.715,1045 2.531,1046 8.99,1047 21.583,1048 4.616,1049 13.115,1050 16.95,1052 26.694,1053 12.772,1054 2.055,1055 7.842,1056 23.452,1057 3.801,1058 14.272,1059 18.491,1060 0.293,1061 29.112,1062 13.905,1063 1.983,1064 5.917,1065 25.328,1066 3.407,1067 15.389,1068 19.971,1070 31.501,1071 14.999,1072 1.629,1073 5.795,1074 27.209,1075 2.861,1076 16.539,1077 21.499,1078 0.221,1079 33.914,1080 16.126,1081 1.474,1082 4.289,1083 29.096,1084 2.711,1085 17.674,1086 23.002,1088 36.317,1089 17.238,1090 5353,1091 9077,1092 16.414,1093 27.057,1094 36.933,1095 37.455,1096 38.654,1097 36.752,1098 36.795,1099 49.832,1100 3.035,1101 106.768,1102 34.896,1103 5.493,1104 5.316,1105 6.531,1106 5.26,1107 5.212,1108 7.616,1109 1.72,1110 18.467,1111 5.13,1112 11.88,1113 1.477,1114 1.498,1115 1.546,1116 1.47,1117 1.472,1118 1.993,1119 0.121,1120 4.271,1121 1.396,1122 4.072,1123 4.112,1124 4.048,1125 3.959,1126 5.321,1127 3.976,1128 3.903,1129 3.932,1130 3.849,1131 3.815,1132 4.982,1133 3.819,1134 3.546,1135 3.614,1136 3.476,1137 3.36,1138 4.883,1139 3.382,1140 3.249,1141 3.315,1142 3.07,1143 3,1144 4.799,1145 3.004,1146 3.213,1147 3.31,1148 3.058,1149 2.966,1150 4.398,1151 2.973,1152 3.133,1153 3.232,1154 3.033,1155 2.871,1156 4.224,1157 2.897,1158 3.023,1159 3.152,1160 2.81,1161 2.705,1162 4.047,1163 2.722,1164 2.807,1165 2.883,1166 2.655,1167 2.661,1168 3.956,1169 2.649,1170 0.186,1171 0.133,1172 0.273,1173 0.167,1174 0.128,1175 4.654,1176 0.185,1177 3.316,1178 0.034,1179 6.835,1180 0.449,1181 4.185,1182 0.125,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.13,1188 1.998,1189 1.967,1190 2.064,1191 2.133,1192 1.228,1193 2.112,1194 1.875,1195 1.85,1196 1.98,1197 1.991,1198 1.061,1199 1.988,1200 1.479,1201 1.418,1202 1.632,1203 1.706,1204 0.736,1205 1.694,1206 1.201,1207 1.126,1208 1.573,1209 1.514,1210 0.574,1211 1.533,1212 1.191,1213 1.101,1214 1.534,1215 1.459,1216 0.559,1217 1.487,1218 1.046,1219 0.959,1220 1.284,1221 1.366,1222 0.226,1223 1.346,1224 0.946,1225 0.826,1226 1.258,1227 1.329,1228 0.161,1229 1.333,1230 0.826,1231 0.755,1232 1.121,1233 1.02,1234 0.062,1235 1.057,1236 3.932,1238 5.252,1240 6.786,1242 8.421,1244 10.109,1246 3.616,1250 11.579,1252 0.582,1253 3.346,1254 5.334,1262 26.004,1263 65.091,1264 155.685,1265 190.15,1266 202.15,1267 204.15,1268 204.15,1269 30.76,1270 7,1271 111.97,1272 111.97,1273 18,1274 12.36,1275 4.17,1276 3.248,1277 36.888,1278 78,1279 68,1280 0.235,1281 163.411,1282 269.25,1283 390.482,1284 9747,1286 16.397,1287 0.713,1288 0.565,1289 16.397,1290 12.998,1291 11.097,1292 0.444,1293 0.286,1294 7.012,1295 10.612,1296 6.784,1297 5.691,1298 11.097,1299 7.139,1300 9.878,1301 0.282,1302 0.147,1303 9.878,1304 5.128,1305 8.439,1306 0.18,1307 0.079,1308 8.439,1309 3.711,1310 7.327,1311 0.12,1312 0.041,1313 7.327,1314 2.492,1315 5.39,1316 0.074,1317 0.021,1318 5.39,1319 1.534,1320 0.365,1321 69.997,1322 0.247,1323 22.443,1324 0.652,1325 120,1326 351.628,1327 132.759,1328 345.408,1329 480.62,1330 324,1331 142,1332 364.024,1333 154.704,1334 372.264,1335 542.27,1336 348,1337 6.772}
{0 CHEMBL85188,1 1.659,2 12.618,3 5.044,4 25.439,5 139.378,6 7.775,7 0.5,8 4.21,9 4.343,10 3.797,11 3.716,12 5.378,13 3.697,14 4.708,15 4.895,16 4.145,17 4.068,18 5.858,19 4.026,20 4.919,21 5.118,22 4.235,23 4.202,24 6.021,25 4.146,26 4.977,27 5.195,28 4.207,29 4.209,30 6.073,31 4.135,32 5.049,33 5.29,34 4.19,35 4.212,36 6.115,37 4.14,38 5.061,39 5.307,40 4.24,41 4.247,42 6.114,43 4.153,44 5.081,45 5.329,46 4.294,47 4.232,48 6.168,49 4.131,50 4.934,51 5.15,52 4.219,53 4.179,54 6.043,55 4.086,56 0.115,57 0.935,58 12.272,59 5.223,60 15.455,61 6.988,62 0.403,63 1.382,64 23.587,65 8.729,66 40.722,67 11.98,68 0.522,69 1.628,70 31.807,71 9.526,72 54.729,73 13.497,74 0.467,75 1.729,76 34.042,77 10.29,78 59.432,79 15.144,80 0.635,81 1.808,82 36.127,83 9.912,84 69.284,85 15.195,86 0.511,87 1.772,88 37.578,89 11.508,90 66.426,91 16.95,92 0.753,93 1.62,94 46.112,95 12.369,96 87.45,97 17.638,98 0.62,99 1.448,100 40.256,101 11.459,102 61.245,103 15.287,104 57,105 49,106 0.266,107 0.628,108 0.79,109 0.857,110 0.867,111 0.867,112 3.56,113 0.935,114 -5.58,115 -5.45,116 -5.09,119 38.7,120 3,121 1,125 3,139 7,140 4,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 12,169 3,170 7,172 3,173 3,175 1,178 14,180 1,181 1,182 10,187 1,189 11,191 1,192 1,193 16,195 1,196 1,197 1,198 5,200 2,201 5,204 5,205 1,206 2,207 15,212 4,215 4,218 4,220 3,221 10,223 1,224 1,226 2,229 2,231 2,233 3,234 11,236 1,237 1,239 2,241 7,243 2,245 2,246 9,248 2,249 2,254 13,260 7,262 1,263 1,265 1,268 14,270 1,273 2220,274 22.455,275 22.455,276 22.455,277 22.455,278 22.455,279 19.799,280 28.566,281 13.293,282 22.966,283 17.692,284 17.692,285 17.692,286 17.692,287 17.692,288 13.677,289 32.981,290 6.264,291 18.559,292 4.295,293 2.045,294 1.031,295 0.617,296 0.553,297 0.553,298 4.239,299 1,302 1,303 890,304 4.183,307 383.051,314 1.78,315 34.494,318 0.75,319 0.5,320 0.83,321 1,322 0.5,323 1,324 1,325 0.8,326 73.833,327 429,328 4.535,329 3.627,330 6.77,331 4.146,332 3.171,333 4.257,334 2.443,335 11.076,336 3.094,337 4.185,338 3.278,339 6.048,340 3.741,341 2.803,342 3.815,343 0.657,344 8.678,345 2.664,346 4.031,347 3.113,348 5.594,349 3.663,350 2.689,351 3.62,352 0.286,353 7.726,354 2.572,355 3.653,356 2.955,357 5.304,358 3.363,359 2.397,360 3.014,362 6.627,363 2.307,364 3.587,365 2.582,366 5.161,367 3.186,368 2.257,369 2.802,371 6.433,372 2.108,373 3.527,374 2.385,375 5.038,376 3.168,377 2.202,378 2.706,380 5.702,381 2.078,382 3.303,383 2.226,384 4.813,385 2.945,386 1.985,387 2.55,389 5.478,390 1.923,391 3.289,392 2.221,393 4.756,394 2.93,395 1.954,396 2.492,398 5.138,399 1.875,400 3.102,401 1.975,402 4.645,403 2.679,404 1.731,405 2.31,407 4.931,408 1.633,409 2.905,410 1.844,411 4.232,412 2.457,413 1.532,414 2.018,415 3.954,416 1.364,417 2.5,418 1.717,419 3.414,420 2.042,421 1.083,422 1.5,423 2.318,424 1.026,425 2.391,426 1,427 3.341,428 2,429 1,430 1.256,431 2.275,432 1,433 2.027,434 0.846,435 3.327,436 1.594,437 0.639,438 0.85,439 1.481,440 0.596,441 1.748,442 0.718,443 3.146,444 1.537,445 0.56,446 0.643,448 1.11,449 0.543,450 1.398,451 0.641,452 2.753,453 1.103,454 0.165,455 0.193,457 0.343,458 0.144,459 16.181,460 0.476,461 0.911,462 0.027,463 43.75,464 1.287,465 22.5,466 0.662,467 21.25,468 0.625,469 31.409,470 0.924,471 37.219,472 0.6,473 36.63,474 1.077,475 8.769,476 0.258,477 7.492,478 0.22,479 0.207,481 0.334,485 0.766,486 1.23,487 0.696,488 1.032,489 0.815,490 0.953,491 0.696,492 1.016,493 0.671,494 0.899,495 0.479,496 0.863,497 1.247,498 1.17,499 0.999,500 0.948,501 1.091,502 0.969,503 0.869,504 1.32,505 0.988,506 1.157,507 0.815,508 1.114,509 1.046,510 1.145,511 0.876,512 0.917,513 1.003,514 0.972,515 0.827,516 1.075,517 0.863,518 0.966,519 0.735,520 0.98,521 1.031,522 0.847,523 1.146,524 0.942,525 0.869,526 0.896,527 1.205,528 0.817,529 1.424,530 1.06,531 0.948,532 0.999,533 8,534 0.355,535 3.556,536 2.563,537 1.92,538 1.132,539 0.892,540 0.62,541 0.534,542 0.349,543 15810,544 46505,545 1.977,546 45.2,547 6,548 13,551 4,552 5,555 1.765,556 1.821,557 3.598,558 1.575,564 102.864,565 1.659,566 3.909,567 4.923,568 5.337,569 5.402,570 5.402,571 2.992,572 4.735,573 5.06,574 3.795,575 2128.73,576 8.898,577 33627.3,582 369.16,583 1.508,584 4.999,585 0.222,586 0.009,587 0.073,588 0.05,589 0.039,590 0.024,591 0.019,592 0.013,593 0.012,594 0.008,595 0.468,597 0.75,598 1.308,599 183.073,600 0.002,601 0.031,602 0.019,603 -0.001,604 -0.115,605 0.014,606 0.207,607 0.098,608 0.145,609 0.105,610 0.219,611 0.114,612 -0.167,613 -0.076,614 -0.067,615 0.024,616 -0.165,617 -0.025,619 -0.238,620 -0.073,621 -0.191,622 -0.003,623 -0.154,624 -0.09,625 -0.075,626 -0.045,627 -0.016,628 -0.12,629 -0.047,630 0.022,631 -0.047,632 0.061,633 -0.01,634 0.018,635 -0.01,636 0.073,637 0.088,638 0.103,639 0.074,640 0.084,641 0.101,642 -0.028,643 0.158,644 -0.067,645 0.009,646 -0.019,647 0.007,648 2.016,649 4.178,650 0.529,651 37.294,652 1.007,653 1.136,654 4.352,655 18.94,656 0.664,657 3.611,658 3.912,659 4.111,660 4.344,661 4.554,662 4.595,663 4.654,664 4.718,665 4.771,666 4.796,667 7.685,668 0.632,669 482.04,670 3.611,671 5.142,672 5.964,673 6.828,674 7.671,675 8.541,676 9.394,677 10.268,678 11.128,679 12.005,680 11.3,684 2,687 1,690 2,692 2,695 7,696 2,700 9,702 18,711 2,717 1,718 62,719 20,720 2,721 36,723 64,724 24,725 16,726 5,727 7,729 3,730 3,731 1,734 3,739 1,741 17,742 7,744 2,748 1,750 2,751 1,757 28,758 9,759 4,760 10,761 1,764 7,769 1,770 2,776 1,781 3,793 1,802 3,806 3,807 1,810 34,811 2,816 4,818 1,821 1,828 1,829 3.2,832 1,834 1,836 18.667,837 11.976,838 7.611,839 3.649,840 3.713,841 1.495,842 0.956,843 8.939,844 11.207,845 3.871,846 4.449,847 4.961,848 5.511,849 6.051,850 6.264,851 6.58,852 6.935,853 7.275,854 7.561,855 1,856 51,857 12.489,859 5.107,860 7.832,861 23.505,863 18.318,865 2.332,866 79.278,870 282.506,871 137.322,872 135.571,873 39.149,874 36.145,877 137.322,878 357.8,879 135.571,880 26.476,881 14.34,882 132.128,883 65.907,884 32.756,885 37.431,886 282.506,887 39.149,888 282.506,889 272.893,890 36.145,891 39.149,893 282.506,894 36.145,897 45.472,898 160.647,899 105.923,901 282.506,902 171.716,903 176.471,906 282.506,907 44.513,908 95.811,910 207.862,911 282.506,912 171.716,913 176.471,915 0.576,916 0.321,917 0.169,918 0.096,919 20,920 11,921 0.156,922 10,924 1,925 4.368,926 301.944,928 18,929 168.974,933 25.569,934 11.887,935 7.222,937 171.716,938 13.441,939 8.4,943 5.703,945 65.794,946 630.693,947 47,951 11.178,953 8.762,954 -0.349,956 62.411,957 70.418,958 0.279,959 0.657,960 0.827,961 0.896,962 0.907,963 0.907,964 5.097,965 1.954,966 5.948,967 5.478,968 4.595,969 5.136,970 2.477,971 6.72,972 4.506,973 6.304,974 1.731,975 7.487,976 5.138,977 4.205,978 4.945,979 2.243,980 7.567,981 4.061,982 7.602,983 1.532,984 9.122,985 4.931,986 6.155,987 7.292,988 3.849,989 10.635,990 5.992,991 8.931,992 1.083,993 10.813,994 3.954,995 6.524,996 7.861,997 4.269,998 12.33,999 6.314,1000 10.289,1001 1,1002 12.543,1003 2.318,1004 7.975,1005 9.723,1006 5.487,1007 14.947,1008 7.749,1009 11.666,1010 0.639,1011 14.301,1012 2.275,1013 8.715,1014 10.674,1015 6.158,1016 17.038,1017 8.45,1018 13.061,1019 0.56,1020 16.082,1021 1.481,1022 9.963,1023 12.32,1024 7.208,1025 19.503,1026 9.682,1027 3.171,1028 0.165,1029 17.882,1030 1.11,1031 10.895,1032 13.483,1033 7.992,1034 21.771,1035 10.584,1036 2.803,1037 11.076,1038 19.699,1039 0.343,1040 12.06,1041 15.019,1042 8.963,1043 24.186,1044 11.731,1045 2.689,1046 8.678,1047 21.53,1048 4.257,1049 13.091,1050 16.301,1051 9.802,1052 26.531,1053 12.737,1054 2.397,1055 7.726,1056 23.373,1057 3.815,1058 14.227,1059 17.782,1060 10.734,1061 28.933,1062 13.854,1063 2.257,1064 6.627,1065 25.227,1066 3.62,1067 15.309,1068 19.13,1069 11.599,1070 31.31,1071 14.913,1072 2.202,1073 6.433,1074 27.089,1075 3.014,1076 16.438,1077 20.584,1078 12.512,1079 33.709,1080 16.023,1081 1.985,1082 5.702,1083 28.959,1084 2.802,1085 17.546,1086 21.97,1087 13.391,1088 36.1,1089 17.11,1090 15674,1091 27079,1092 23.175,1093 41.182,1094 53.236,1095 54.028,1096 55.021,1097 52.672,1098 52.51,1099 68.253,1100 6.772,1101 146.909,1102 50.011,1103 5.443,1104 5.627,1105 6.326,1106 5.216,1107 5.171,1108 7.257,1109 4.174,1110 17.964,1111 5.094,1112 21.247,1113 1.479,1114 1.501,1115 1.528,1116 1.463,1117 1.459,1118 1.896,1119 0.188,1120 4.081,1121 1.389,1122 4.022,1123 4.058,1124 4.057,1125 3.942,1126 7.434,1127 3.945,1128 3.934,1129 3.968,1130 3.869,1131 3.874,1132 5.287,1133 3.868,1134 3.768,1135 3.816,1136 3.824,1137 3.629,1138 5.04,1139 3.643,1140 3.659,1141 3.703,1142 3.57,1143 3.421,1144 4.975,1145 3.444,1146 3.471,1147 3.523,1148 3.388,1149 3.236,1150 4.762,1151 3.254,1152 3.392,1153 3.485,1154 3.287,1155 3.193,1156 4.685,1157 3.185,1158 3.218,1159 3.297,1160 3.204,1161 3.066,1162 4.465,1163 3.048,1164 3.128,1165 3.227,1166 3.035,1167 2.904,1168 4.428,1169 2.924,1170 0.126,1171 0.101,1172 0.188,1173 0.115,1174 0.088,1175 4.535,1176 0.118,1177 3.627,1178 0.068,1179 6.77,1180 0.308,1181 4.146,1182 0.086,1183 3.171,1184 4.257,1185 2.443,1186 11.076,1187 3.094,1188 1.959,1189 1.935,1190 2.062,1191 2.066,1192 1.213,1193 2.057,1194 1.933,1195 1.904,1196 2.023,1197 2.024,1198 1.188,1199 2.034,1200 1.707,1201 1.664,1202 1.853,1203 1.881,1204 1.038,1205 1.869,1206 1.573,1207 1.52,1208 1.802,1209 1.819,1210 1.003,1211 1.814,1212 1.398,1213 1.341,1214 1.674,1215 1.662,1216 0.763,1217 1.662,1218 1.38,1219 1.296,1220 1.614,1221 1.632,1222 0.685,1223 1.649,1224 1.244,1225 1.17,1226 1.571,1227 1.451,1228 0.596,1229 1.496,1230 1.026,1231 0.951,1232 1.309,1233 1.376,1234 0.433,1235 1.358,1236 4.29,1238 5.595,1240 7.081,1242 8.658,1244 10.287,1246 5.362,1247 6.405,1250 11.901,1252 1.674,1254 5.084,1257 1.717,1262 39.202,1263 102.864,1264 242.37,1265 305.244,1266 330.896,1267 334.896,1268 334.896,1269 74.832,1270 7.494,1271 132.08,1272 132.08,1273 18,1274 12.547,1275 4.392,1276 3.585,1277 67.063,1278 157,1279 154,1280 0.204,1281 250.49,1282 434.73,1283 602.957,1284 18470,1285 1.6,1286 24.665,1287 0.725,1288 0.594,1289 25.165,1290 20.211,1291 16.261,1292 0.452,1293 0.312,1294 10.716,1295 15.318,1296 10.322,1297 8.634,1298 16.55,1299 11.215,1300 14.74,1301 0.301,1302 0.166,1303 15.111,1304 8.119,1305 11.294,1306 0.188,1307 0.089,1308 11.674,1309 5.338,1310 9.199,1311 0.121,1312 0.046,1313 9.434,1314 3.483,1315 7.356,1316 0.078,1317 0.025,1318 7.599,1319 2.39,1320 0.323,1321 105.143,1322 0.208,1323 31.523,1324 0.554,1325 170,1326 528.524,1327 203.349,1328 544.403,1329 729.63,1330 506,1331 194,1332 518.385,1333 222.428,1334 532.698,1335 766.26,1336 499,1337 5.415}
{0 CHEMBL85573,1 1.751,2 12.088,3 5.222,4 27.268,5 139.141,6 8.516,7 0.5,8 4.171,9 4.297,10 3.835,11 3.694,12 5.367,13 3.68,14 4.662,15 4.836,16 4.201,17 4.049,18 5.86,19 4.011,20 4.884,21 5.078,22 4.287,23 4.177,24 6.019,25 4.125,26 4.905,27 5.106,28 4.27,29 4.176,30 6.052,31 4.115,32 5.004,33 5.225,34 4.233,35 4.196,36 6.121,37 4.129,38 5.047,39 5.292,40 4.306,41 4.238,42 6.124,43 4.149,44 5.034,45 5.263,46 4.352,47 4.224,48 6.175,49 4.124,50 4.898,51 5.105,52 4.283,53 4.157,54 6.05,55 4.066,56 0.15,57 0.887,58 10.119,59 4.837,60 17.017,61 6.139,62 0.447,63 1.305,64 20.959,65 8.27,66 41.259,67 10.781,68 0.65,69 1.523,70 31.893,71 9.379,72 63.046,73 12.251,74 0.549,75 1.607,76 30.93,77 9.617,78 61.625,79 13.126,80 0.768,81 1.726,82 35.333,83 9.686,84 74.754,85 13.566,86 0.661,87 1.717,88 37.208,89 11.591,90 73.736,91 16.366,92 0.861,93 1.522,94 45.95,95 12.412,96 94.445,97 16.621,98 0.78,99 1.344,100 41.86,101 11.502,102 68.658,103 14.56,104 57,105 49,106 0.284,107 0.65,108 0.818,109 0.889,110 0.894,111 0.894,112 3.56,113 0.94,114 -5.58,115 -5.45,116 -5.09,119 39,120 2,121 1,125 3,139 7,140 3,141 3,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 9,169 3,170 7,172 3,173 3,175 1,178 12,180 1,181 1,182 10,187 1,189 10,191 1,192 1,193 15,195 1,196 1,197 1,198 5,200 2,201 5,204 5,205 1,206 2,207 15,212 4,215 4,218 4,220 3,221 9,223 1,224 1,226 2,229 2,231 2,233 3,234 10,236 1,237 1,239 2,241 7,243 2,245 2,246 9,248 2,249 2,254 12,260 5,262 1,263 1,265 1,268 11,270 1,273 2200,274 22.455,275 22.455,276 22.455,277 22.455,278 22.455,279 19.799,280 27.742,281 13.326,282 23.103,283 17.709,284 17.709,285 17.709,286 17.709,287 17.709,288 13.683,289 33.122,290 6.278,291 18.843,292 4.132,293 1.875,294 0.833,295 0.398,296 0.365,297 0.365,298 4.239,299 2,303 851,304 4.183,307 381.62,314 1.794,315 37.93,318 0.5,319 0.5,320 0.67,321 0.7,322 0.5,323 0.83,324 1,325 0.67,326 74.167,327 411,328 4.535,329 3.627,330 6.77,331 4.146,332 3.171,333 4.257,334 2.443,335 11.076,336 3.094,337 4.185,338 3.278,339 6.048,340 3.742,341 2.805,342 3.815,343 0.657,344 8.678,345 2.637,346 4.059,347 3.115,348 5.638,349 3.667,350 2.712,351 3.653,352 0.286,353 7.863,354 2.558,355 3.647,356 3.051,357 5.305,358 3.324,359 2.394,360 3.013,362 6.649,363 2.218,364 3.577,365 2.779,366 5.205,367 3.186,368 2.256,369 2.745,371 6.548,372 2.1,373 3.51,374 2.385,375 5.038,376 3.151,377 2.194,378 2.683,380 5.702,381 2.05,382 3.3,383 2.257,384 4.756,385 2.932,386 1.985,387 2.549,389 5.197,390 1.876,391 3.217,392 2.226,393 4.686,394 2.782,395 1.862,396 2.432,398 5.041,399 1.654,400 3.1,401 1.975,402 4.632,403 2.677,404 1.731,405 2.304,407 4.929,408 1.612,409 2.903,410 1.844,411 4.231,412 2.456,413 1.531,414 2.018,415 3.951,416 1.363,417 2.661,418 1.72,419 3.483,420 2.176,421 1.196,422 1.733,423 2.605,424 1.147,425 2.39,426 1.27,427 3.341,428 2.035,429 1.073,430 1.256,431 2.308,432 1.02,433 2.009,434 0.845,435 3.327,436 1.574,437 0.624,438 0.823,439 1.435,440 0.575,441 1.747,442 0.716,443 3.13,444 1.53,445 0.553,446 0.641,448 1.103,449 0.538,450 1.39,451 0.568,452 2.753,453 1.048,454 0.138,455 0.165,457 0.272,458 0.116,459 16.395,460 0.482,461 0.911,462 0.027,463 44,464 1.294,465 22.5,466 0.662,467 21.5,468 0.632,469 31.455,470 0.925,471 37.005,472 0.627,473 36.772,474 1.082,475 8.801,476 0.259,477 7.46,478 0.219,479 0.217,481 0.329,485 0.748,486 1.215,487 0.604,488 0.94,489 0.79,490 0.89,491 0.704,492 1.038,493 0.624,494 0.858,495 0.487,496 0.847,497 1.262,498 1.127,499 0.997,500 0.888,501 1.105,502 0.917,503 0.908,504 1.332,505 0.933,506 1.102,507 0.838,508 1.083,509 1.06,510 1.193,511 0.951,512 1.002,513 1.054,514 1.057,515 0.746,516 1.012,517 0.712,518 0.872,519 0.679,520 0.912,521 0.993,522 0.879,523 1.125,524 1.016,525 0.895,526 0.969,527 1.098,528 0.764,529 1.32,530 1.063,531 0.919,532 0.982,533 8,534 0.297,535 3.333,536 2.813,537 1.84,538 1.187,539 0.892,540 0.589,541 0.518,542 0.387,543 15694,544 52571,545 1.977,546 42.4,547 3,548 13,551 4,552 5,555 1.765,556 1.821,557 3.541,558 1.604,564 103.286,565 1.751,566 4.008,567 5.049,568 5.484,569 5.518,570 5.518,571 2.922,572 4.852,573 5.061,574 3.771,575 2115.3,576 8.901,577 33396.3,582 347.076,583 1.508,584 4.999,585 0.222,586 0.007,587 0.068,588 0.055,589 0.037,590 0.025,591 0.018,592 0.013,593 0.012,594 0.009,595 0.465,597 0.75,598 1.308,599 182.85,600 -0.021,601 0.036,602 0.008,603 0.009,604 -0.12,605 0.018,606 0.163,607 0.077,608 0.116,609 0.1,610 0.203,611 0.096,612 -0.207,613 -0.055,614 -0.08,615 0.061,616 -0.182,617 0.01,618 -0.047,619 -0.235,620 -0.082,621 -0.169,622 -0.022,623 -0.15,624 -0.127,625 -0.107,626 -0.141,627 -0.112,628 -0.181,629 -0.147,630 0.052,631 0.001,632 0.113,633 0.059,634 0.045,635 0.062,636 0.062,637 0.055,638 0.034,639 0.006,640 0.05,641 0.039,642 0.028,643 0.18,644 -0.054,645 0.001,646 -0.002,647 0.031,648 2.037,649 4.167,650 0.529,651 36.706,652 1.014,653 1.135,654 4.352,655 18.94,656 0.683,657 3.611,658 3.912,659 4.111,660 4.357,661 4.543,662 4.605,663 4.644,664 4.718,665 4.779,666 4.804,667 7.619,668 0.653,669 502.45,670 3.611,671 5.142,672 5.964,673 6.83,674 7.672,675 8.545,676 9.396,677 10.273,678 11.131,679 12.011,680 11.9,684 2,687 1,690 2,692 2,695 7,696 2,700 9,702 18,711 2,717 2,718 59,719 20,720 2,721 36,723 61,724 23,725 16,726 5,727 7,729 3,730 3,731 2,734 2,739 1,741 17,742 6,744 2,748 1,750 2,751 1,757 25,758 9,759 4,760 11,761 2,764 7,769 1,770 2,776 1,781 3,793 1,802 3,806 2,807 2,810 34,811 2,816 4,818 1,821 1,828 2,829 3.4,832 1,834 1,836 18.667,837 11.119,838 7.611,839 3.435,840 3.722,841 1.497,842 0.958,843 9.19,844 11.216,845 3.871,846 4.449,847 4.961,848 5.52,849 6.04,850 6.27,851 6.578,852 6.932,853 7.283,854 7.562,855 0.875,856 51,857 12.473,859 5.128,860 7.894,861 23.291,863 18.153,865 2.394,866 81.389,870 247.193,871 128.812,872 135.571,873 78.297,874 36.145,877 128.812,878 361.635,879 135.571,880 17.65,881 14.34,882 132.128,883 65.907,884 33.071,885 37.431,886 247.193,887 78.297,888 247.193,889 264.383,890 36.145,891 78.297,893 247.193,894 36.145,897 36.646,898 160.962,899 145.072,901 247.193,902 171.716,903 207.11,906 247.193,907 44.828,908 86.986,910 247.011,911 247.193,912 171.716,913 207.11,915 0.575,916 0.32,917 0.172,918 0.094,919 20,920 11,921 0.164,922 10,924 1,925 4.355,926 302.726,928 18,929 172.974,933 25.849,934 12.088,935 7.366,937 171.716,938 12.683,939 8.38,943 4.913,945 65.794,946 626.018,947 47,951 11.167,953 8.698,954 -0.37,956 59.851,957 66.947,958 0.298,959 0.681,960 0.858,961 0.932,962 0.938,963 0.938,964 5.097,965 1.862,966 5.948,967 5.197,968 4.595,969 5.136,970 2.477,971 6.723,972 4.479,973 6.304,974 1.731,975 7.487,976 5.041,977 4.205,978 4.945,979 2.243,980 7.567,981 3.997,982 7.602,983 1.531,984 9.122,985 4.929,986 6.155,987 7.292,988 3.849,989 10.643,990 5.95,991 8.931,992 1.196,993 10.815,994 3.951,995 6.524,996 7.861,997 4.269,998 12.335,999 6.248,1000 10.289,1001 1.073,1002 12.545,1003 2.605,1004 7.977,1005 9.725,1006 5.487,1007 14.957,1008 7.702,1009 11.667,1010 0.624,1011 14.304,1012 2.308,1013 8.719,1014 10.679,1015 6.158,1016 17.045,1017 8.395,1018 13.062,1019 0.553,1020 16.086,1021 1.435,1022 9.968,1023 12.325,1024 7.208,1025 19.511,1026 9.638,1027 3.171,1028 0.138,1029 17.887,1030 1.103,1031 10.903,1032 13.492,1033 7.992,1034 21.777,1035 10.539,1036 2.805,1037 11.076,1038 19.705,1039 0.272,1040 12.069,1041 15.028,1042 8.963,1043 24.192,1044 11.693,1045 2.712,1046 8.678,1047 21.536,1048 4.257,1049 13.101,1050 16.311,1051 9.802,1052 26.535,1053 12.701,1054 2.394,1055 7.863,1056 23.379,1057 3.815,1058 14.237,1059 17.792,1060 10.734,1061 28.936,1062 13.823,1063 2.256,1064 6.649,1065 25.233,1066 3.653,1067 15.319,1068 19.14,1069 11.599,1070 31.312,1071 14.885,1072 2.194,1073 6.548,1074 27.095,1075 3.013,1076 16.447,1077 20.594,1078 12.512,1079 33.711,1080 15.998,1081 1.985,1082 5.702,1083 28.964,1084 2.745,1085 17.555,1086 21.98,1087 13.391,1088 36.101,1089 17.087,1090 15562,1091 28651,1092 23.175,1093 40.279,1094 53.294,1095 54.109,1096 55.017,1097 52.768,1098 52.451,1099 68.175,1100 6.772,1101 146.714,1102 49.116,1103 5.443,1104 5.627,1105 6.331,1106 5.216,1107 5.171,1108 7.257,1109 4.174,1110 17.964,1111 5.094,1112 21.168,1113 1.48,1114 1.503,1115 1.528,1116 1.466,1117 1.457,1118 1.894,1119 0.188,1120 4.075,1121 1.364,1122 4.02,1123 4.055,1124 4.062,1125 3.94,1126 7.434,1127 3.944,1128 3.92,1129 3.95,1130 3.993,1131 3.862,1132 5.287,1133 3.854,1134 3.767,1135 3.814,1136 3.824,1137 3.629,1138 5.043,1139 3.643,1140 3.655,1141 3.695,1142 3.595,1143 3.414,1144 4.976,1145 3.439,1146 3.458,1147 3.511,1148 3.431,1149 3.214,1150 4.932,1151 3.235,1152 3.392,1153 3.485,1154 3.296,1155 3.192,1156 4.717,1157 3.184,1158 3.146,1159 3.235,1160 3.25,1161 2.966,1162 4.465,1163 2.949,1164 3.104,1165 3.202,1166 3.204,1167 2.9,1168 4.429,1169 2.917,1170 0.126,1171 0.101,1172 0.188,1173 0.115,1174 0.088,1175 4.535,1176 0.118,1177 3.627,1178 0.068,1179 6.77,1180 0.308,1181 4.146,1182 0.086,1183 3.171,1184 4.257,1185 2.443,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.025,1191 2.065,1192 1.192,1193 2.054,1194 1.906,1195 1.881,1196 2.007,1197 1.999,1198 1.182,1199 2.007,1200 1.707,1201 1.664,1202 1.852,1203 1.872,1204 1.013,1205 1.864,1206 1.564,1207 1.514,1208 1.79,1209 1.813,1210 1.002,1211 1.805,1212 1.385,1213 1.321,1214 1.661,1215 1.648,1216 0.695,1217 1.655,1218 1.375,1219 1.295,1220 1.614,1221 1.631,1222 0.62,1223 1.641,1224 1.126,1225 1.056,1226 1.417,1227 1.382,1228 0.596,1229 1.389,1230 1.015,1231 0.942,1232 1.267,1233 1.358,1234 0.184,1235 1.354,1236 4.29,1238 5.595,1240 7.081,1242 8.66,1244 10.29,1246 3.309,1247 12.494,1250 11.885,1252 1.504,1254 5.062,1257 1.662,1262 38.502,1263 103.286,1264 236.47,1265 297.915,1266 323.566,1267 325.566,1268 325.566,1269 77.335,1270 7.494,1271 132.08,1272 132.08,1273 18,1274 12.552,1275 4.392,1276 3.585,1277 67.04,1278 156,1279 138,1280 0.206,1281 249.231,1282 432.64,1283 599.884,1284 18470,1285 3.4,1286 24.665,1287 0.725,1288 0.598,1289 25.665,1290 20.345,1291 16.261,1292 0.452,1293 0.313,1294 10.435,1295 15.009,1296 10.078,1297 8.377,1298 16.839,1299 11.282,1300 14.752,1301 0.301,1302 0.167,1303 15.531,1304 8.2,1305 11.204,1306 0.187,1307 0.089,1308 11.846,1309 5.341,1310 9.408,1311 0.122,1312 0.047,1313 9.912,1314 3.637,1315 7.202,1316 0.077,1317 0.025,1318 7.61,1319 2.333,1320 0.325,1321 108.318,1322 0.208,1323 31.473,1324 0.56,1325 170,1326 554.728,1327 218.868,1328 597.704,1329 788.45,1330 554,1331 194,1332 535.247,1333 232.186,1334 557.624,1335 803.61,1336 523,1337 5.889}
{0 CHEMBL85576,1 1.638,2 12.714,3 5.687,4 32.341,5 143.538,6 7.632,7 0.486,8 4.252,9 4.387,10 3.823,11 3.758,12 5.404,13 3.734,14 4.758,15 4.946,16 4.168,17 4.116,18 5.873,19 4.066,20 4.996,21 5.209,22 4.284,23 4.239,24 6.094,25 4.181,26 5.057,27 5.275,28 4.231,29 4.215,30 6.185,31 4.154,32 5.035,33 5.257,34 4.212,35 4.239,36 6.119,37 4.169,38 5.144,39 5.403,40 4.262,41 4.299,42 6.155,43 4.193,44 5.134,45 5.39,46 4.326,47 4.269,48 6.197,49 4.167,50 4.979,51 5.191,52 4.258,53 4.229,54 6.087,55 4.137,56 0.107,57 0.973,58 13.233,59 5.561,60 15.669,61 7.533,62 0.391,63 1.449,64 25.138,65 9.329,66 43.44,67 12.913,68 0.456,69 1.709,70 35.119,71 10.516,72 51.588,73 15.25,74 0.703,75 1.748,76 38.902,77 10.589,78 89.067,79 15.217,80 0.571,81 1.833,82 34.76,83 9.742,84 64.646,85 14.938,86 0.515,87 1.881,88 41.835,89 12.714,90 71.117,91 19.015,92 0.77,93 1.702,94 48.747,95 12.816,96 89.601,97 18.598,98 0.61,99 1.538,100 41.59,101 11.81,102 63.066,103 15.937,104 58,105 50,106 0.261,107 0.611,108 0.769,109 0.848,110 0.855,111 0.855,112 3.588,113 0.953,114 -5.79,115 -5.65,116 -5.26,119 38.5,120 3,121 1,122 1,125 3,139 8,140 3,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 13,169 3,170 7,172 3,173 3,175 1,178 13,180 1,181 1,182 14,187 1,189 9,191 1,192 1,193 16,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 2,207 15,212 4,215 4,218 4,220 3,221 11,223 1,224 1,226 2,229 2,231 2,233 3,234 12,236 1,237 1,239 2,241 7,243 2,245 2,246 10,248 2,249 2,254 15,260 6,262 1,263 1,265 1,268 18,270 1,273 2433,274 23.214,275 23.214,276 23.214,277 23.214,278 23.214,279 20.66,280 28.566,281 13.785,282 23.726,283 18.167,284 18.167,285 18.167,286 18.167,287 18.167,288 14.248,289 34.324,290 6.455,291 19.026,292 4.384,293 2.182,294 1.189,295 0.693,296 0.65,297 0.65,298 4.267,299 1,302 1,303 921,304 4.472,307 399.071,314 1.812,315 36.222,318 0.75,319 0.33,320 0.83,321 1,322 1,323 0.83,324 0.5,325 0.75,326 75.833,327 445,328 4.535,329 3.776,330 6.77,331 4.146,332 3.171,333 4.257,334 2.443,335 11.076,336 3.094,337 4.185,338 3.278,339 6.048,340 3.737,341 2.802,342 3.815,343 0.657,344 8.678,345 2.627,346 3.94,347 3.113,348 5.737,349 3.643,350 2.669,351 3.458,352 0.286,353 7.683,354 2.593,355 3.856,356 2.938,357 5.574,358 3.605,359 2.623,360 3.031,362 7.409,363 2.546,364 3.633,365 2.4,366 5.304,367 3.225,368 2.273,369 3.011,371 6.621,372 2.172,373 3.468,374 2.385,375 5.038,376 3.156,377 2.214,378 2.618,380 6.098,381 2.053,382 3.3,383 2.226,384 5.037,385 2.932,386 1.985,387 2.548,389 5.702,390 1.876,391 3.108,392 1.98,393 4.756,394 2.682,395 1.733,396 2.323,398 4.932,399 1.637,400 2.954,401 1.881,402 4.234,403 2.478,404 1.554,405 2.104,407 3.964,408 1.443,409 2.834,410 1.798,411 3.769,412 2.447,413 1.475,414 1.95,415 3.172,416 1.377,417 2.501,418 1.718,419 3.59,420 2.295,421 1.346,422 1.5,423 2.988,424 1.257,425 2.5,426 1.488,427 3.329,428 2,429 1,430 1.47,431 2.136,432 1,433 2.292,434 1,435 3.251,436 1.861,437 0.854,438 1.089,439 1.89,440 0.849,441 1.954,442 0.844,443 3.247,444 1.561,445 0.603,446 0.751,448 1.336,449 0.56,450 1.747,451 0.703,452 3.006,453 1.518,454 0.539,455 0.638,457 1.094,458 0.526,459 16.681,460 0.477,461 0.894,462 0.026,463 44.25,464 1.264,465 22.5,466 0.643,467 21.75,468 0.621,469 33.482,470 0.957,471 38.519,472 0.593,473 37.309,474 1.066,475 8.644,476 0.247,477 8.134,478 0.232,479 0.201,481 0.324,485 0.762,486 1.24,487 0.711,488 1.049,489 0.813,490 0.972,491 0.69,492 1.049,493 0.7,494 0.947,495 0.52,496 0.911,497 1.123,498 1.206,499 0.918,500 1.005,501 0.946,502 0.962,503 1.508,504 1.151,505 1.053,506 0.958,507 1.528,508 0.975,509 1.111,510 1.251,511 0.956,512 1.022,513 1.066,514 1.077,515 0.778,516 1.061,517 0.823,518 0.946,519 0.698,520 0.95,521 1.048,522 0.823,523 1.11,524 0.885,525 0.848,526 0.843,527 1.247,528 0.869,529 1.441,530 1.086,531 0.975,532 1.031,533 7.5,534 0.355,535 3.778,536 2.625,537 1.809,538 1.076,539 0.892,540 0.589,541 0.543,542 0.367,543 17143,544 48666,545 1.978,546 46.2,547 9,548 14,551 4,552 3,555 1.772,556 1.826,557 3.62,558 1.548,564 106.499,565 1.638,566 3.841,567 4.833,568 5.33,569 5.372,570 5.372,571 3.015,572 4.786,573 5.102,574 3.823,575 2274.67,576 8.985,577 36873.1,582 391.454,583 1.495,584 5.043,585 0.203,586 0.008,587 0.076,588 0.05,589 0.036,590 0.022,591 0.018,592 0.012,593 0.012,594 0.008,595 0.443,597 0.63,598 1.433,599 190.337,600 0.009,601 0.029,602 0.021,603 -0.003,604 -0.106,605 0.012,606 0.207,607 0.072,608 0.121,609 0.067,610 0.178,611 0.075,612 -0.065,613 -0.136,614 0.022,615 -0.029,616 -0.037,617 -0.004,618 -0.171,619 -0.119,620 -0.089,621 -0.019,622 -0.157,623 -0.049,624 -0.121,625 -0.128,626 -0.132,627 -0.112,628 -0.154,629 -0.159,630 0.054,631 -0.058,632 0.103,633 0.01,634 0.043,635 0.027,636 0.075,637 0.113,638 0.132,639 0.117,640 0.101,641 0.145,642 -0.045,643 0.136,644 -0.096,645 -0.023,646 -0.033,647 -0.033,648 1.924,649 4.839,650 0.514,651 39.272,652 1.005,653 1.136,654 4.556,655 20.761,656 0.661,657 3.638,658 3.932,659 4.143,660 4.344,661 4.533,662 4.575,663 4.654,664 4.718,665 4.787,666 4.812,667 7.86,668 0.627,669 496.07,670 3.638,671 5.165,672 5.989,673 6.847,674 7.69,675 8.555,676 9.407,677 10.276,678 11.134,679 12.007,680 10.8,684 2,687 1,690 2,692 2,695 8,696 2,700 8,702 18,711 2,717 1,718 65,719 20,720 2,721 37,723 67,724 25,725 16,726 4,727 8,729 3,730 3,731 1,734 3,739 1,741 17,742 8,743 1,744 2,748 1,750 2,751 1,757 30,758 9,759 4,760 10,761 1,764 7,769 1,770 2,776 1,781 3,793 1,802 3,806 3,807 1,810 35,811 2,816 4,818 1,820 1,821 1,828 1,829 3.1,832 1,834 1,836 19.167,837 12.393,838 7.889,839 3.955,840 3.626,841 1.483,842 0.948,843 9.553,844 11.127,845 3.892,846 4.449,847 4.972,848 5.492,849 6.015,850 6.226,851 6.567,852 6.921,853 7.268,854 7.548,855 1,856 53,857 12.888,859 5.289,860 7.813,861 24.304,863 19.023,865 2.313,866 80.944,870 306.049,871 143.613,872 135.571,873 39.149,874 36.145,877 143.613,878 381.342,879 135.571,880 26.476,881 14.34,882 141.604,883 65.907,884 29.571,885 37.431,886 306.049,887 39.149,888 306.049,889 279.184,890 36.145,891 39.149,893 306.049,894 36.145,897 45.472,898 166.938,899 105.923,901 306.049,902 171.716,903 182.762,906 306.049,907 41.327,908 105.287,910 207.862,911 306.049,912 171.716,913 182.762,915 0.576,916 0.331,917 0.167,918 0.09,919 20,920 11,921 0.164,922 11,924 1,925 4.452,926 312.916,928 18,929 173.525,933 26.551,934 12.593,935 7.463,937 171.716,938 15.185,939 8.412,943 4.536,945 65.794,946 660.526,947 48,951 11.839,953 8.802,954 -0.257,956 65.294,957 73.833,958 0.272,959 0.638,960 0.803,961 0.885,962 0.892,963 0.892,964 5.115,965 1.733,966 5.969,967 5.702,968 4.615,969 5.136,970 2.477,971 6.742,972 4.528,973 6.311,974 1.554,975 7.512,976 4.932,977 4.205,978 4.89,979 2.243,980 7.597,981 4.061,982 7.602,983 1.475,984 9.153,985 3.964,986 6.176,987 7.272,988 3.849,989 10.669,990 6.017,991 8.928,992 1.346,993 10.853,994 3.172,995 6.553,996 7.813,997 4.269,998 12.37,999 6.348,1000 10.283,1001 1,1002 12.591,1003 2.988,1004 8.008,1005 9.693,1006 5.487,1007 14.98,1008 7.787,1009 11.661,1010 0.854,1011 14.357,1012 2.136,1013 8.757,1014 10.63,1015 6.158,1016 17.066,1017 8.5,1018 13.056,1019 0.603,1020 16.143,1021 1.89,1022 10.004,1023 12.285,1024 7.208,1025 19.524,1026 9.728,1027 3.171,1028 0.539,1029 17.947,1030 1.336,1031 10.94,1032 13.44,1033 7.992,1034 21.787,1035 10.634,1036 2.802,1037 11.076,1038 19.764,1039 1.094,1040 12.102,1041 14.982,1042 8.963,1043 24.198,1044 11.776,1045 2.669,1046 8.678,1047 21.594,1048 4.257,1049 13.132,1050 16.261,1051 9.802,1052 26.539,1053 12.781,1054 2.623,1055 7.683,1056 23.435,1057 3.815,1058 14.264,1059 17.746,1060 10.734,1061 28.938,1062 13.892,1063 2.273,1064 7.409,1065 25.285,1066 3.458,1067 15.342,1068 19.093,1069 11.599,1070 31.313,1071 14.948,1072 2.214,1073 6.621,1074 27.143,1075 3.031,1076 16.467,1077 20.551,1078 12.512,1079 33.712,1080 16.052,1081 1.985,1082 6.098,1083 29.008,1084 3.011,1085 17.572,1086 21.938,1087 13.391,1088 36.102,1089 17.135,1090 16998,1091 28841,1092 23.868,1093 42.944,1094 54.879,1095 55.891,1096 56.394,1097 54.139,1098 53.958,1099 69.452,1100 6.772,1101 150.096,1102 51.449,1103 5.468,1104 5.776,1105 6.572,1106 5.216,1107 5.171,1108 7.257,1109 4.174,1110 17.964,1111 5.094,1112 21.608,1113 1.483,1114 1.511,1115 1.524,1116 1.463,1117 1.458,1118 1.877,1119 0.183,1120 4.057,1121 1.391,1122 4.021,1123 4.056,1124 4.057,1125 3.94,1126 7.432,1127 3.944,1128 3.915,1129 3.952,1130 3.844,1131 3.848,1132 5.287,1133 3.842,1134 3.767,1135 3.815,1136 3.824,1137 3.629,1138 5.041,1139 3.643,1140 3.737,1141 3.772,1142 3.64,1143 3.56,1144 4.975,1145 3.566,1146 3.555,1147 3.632,1148 3.449,1149 3.345,1150 4.77,1151 3.353,1152 3.392,1153 3.485,1154 3.289,1155 3.193,1156 4.689,1157 3.185,1158 3.218,1159 3.287,1160 3.204,1161 2.991,1162 4.465,1163 2.994,1164 3.11,1165 3.214,1166 3.082,1167 2.899,1168 4.433,1169 2.915,1170 0.123,1171 0.102,1172 0.183,1173 0.112,1174 0.086,1175 4.535,1176 0.115,1177 3.776,1178 0.066,1179 6.77,1180 0.299,1181 4.146,1182 0.084,1183 3.171,1184 4.257,1185 2.443,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.043,1191 2.065,1192 1.192,1193 2.055,1194 1.911,1195 1.88,1196 2.022,1197 2.01,1198 1.182,1199 2.019,1200 1.708,1201 1.664,1202 1.929,1203 1.897,1204 1.115,1205 1.901,1206 1.686,1207 1.642,1208 1.852,1209 1.865,1210 1.009,1211 1.86,1212 1.516,1213 1.441,1214 1.764,1215 1.747,1216 1,1217 1.759,1218 1.381,1219 1.296,1220 1.615,1221 1.633,1222 0.634,1223 1.652,1224 1.16,1225 1.094,1226 1.438,1227 1.435,1228 0.596,1229 1.428,1230 1.015,1231 0.942,1232 1.417,1233 1.37,1234 0.469,1235 1.355,1236 4.317,1238 5.617,1240 7.102,1242 8.677,1244 10.301,1246 5.554,1247 6.423,1250 11.92,1252 1.675,1254 5.326,1256 -0.196,1257 1.726,1262 40.728,1263 106.499,1264 249.64,1265 314.17,1266 346.434,1267 349.189,1268 349.189,1269 83.972,1270 7.501,1271 132.08,1272 132.08,1273 18,1274 12.551,1275 4.392,1276 3.585,1277 70.191,1278 165,1279 154,1280 0.202,1281 260.083,1282 452.03,1283 626.362,1284 18595,1285 1.5,1286 25.372,1287 0.725,1288 0.596,1289 25.872,1290 20.866,1291 16.778,1292 0.453,1293 0.318,1294 11.248,1295 15.858,1296 10.858,1297 9.103,1298 17.067,1299 11.748,1300 14.945,1301 0.299,1302 0.172,1303 15.316,1304 8.601,1305 11.899,1306 0.192,1307 0.088,1308 12.279,1309 5.471,1310 9.305,1311 0.122,1312 0.046,1313 9.539,1314 3.496,1315 7.251,1316 0.079,1317 0.025,1318 7.494,1319 2.319,1320 0.32,1321 108.244,1322 0.205,1323 32.303,1324 0.548,1325 174,1326 530.524,1327 207.349,1328 546.577,1329 733.62,1330 508,1331 199,1332 522.385,1333 228.757,1334 536.377,1335 774.42,1336 503,1337 5.432}
{0 CHEMBL85875,1 1.785,2 12.088,3 4.763,4 22.686,5 134.553,6 8.237,7 0.5,8 4.174,9 4.302,10 3.805,11 3.671,12 5.396,13 3.668,14 4.665,15 4.842,16 4.159,17 4.016,18 5.903,19 3.995,20 4.89,21 5.089,22 4.246,23 4.137,24 6.071,25 4.106,26 4.909,27 5.113,28 4.229,29 4.141,30 6.093,31 4.098,32 5.009,33 5.235,34 4.204,35 4.171,36 6.163,37 4.118,38 5.049,39 5.297,40 4.265,41 4.216,42 6.162,43 4.136,44 5.039,45 5.273,46 4.31,47 4.191,48 6.226,49 4.107,50 4.904,51 5.116,52 4.235,53 4.125,54 6.114,55 4.049,56 0.169,57 0.958,58 10.524,59 4.915,60 19.437,61 6.156,62 0.478,63 1.414,64 21.004,65 8.2,66 43.514,67 10.631,68 0.725,69 1.665,70 30.245,71 8.995,72 76.042,73 11.806,74 0.606,75 1.714,76 30.204,77 9.28,78 71.067,79 12.823,80 0.876,81 1.816,82 33.051,83 9.232,84 89.594,85 13.2,86 0.735,87 1.772,88 36.727,89 11.261,90 83.983,91 16.24,92 0.962,93 1.635,94 43.596,95 11.944,96 111.954,97 16.137,98 0.907,99 1.445,100 39.307,101 11.178,102 85.735,103 14.139,104 57,105 49,106 0.289,107 0.661,108 0.829,109 0.894,110 0.894,111 0.894,112 3.56,113 0.909,114 -5.48,115 -5.36,116 -5,119 39,120 2,121 1,125 3,139 7,140 3,141 3,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 9,169 3,170 7,172 3,173 3,175 1,178 10,180 1,181 1,182 10,187 1,189 8,191 1,192 1,193 15,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 2,207 14,212 4,215 4,218 4,220 3,221 8,223 1,224 1,226 2,229 2,231 2,233 3,234 9,236 1,237 1,239 2,241 7,243 2,245 2,246 8,248 2,249 2,254 12,260 5,262 1,263 1,265 1,268 10,270 1,273 2200,274 22.455,275 22.455,276 22.455,277 22.455,278 22.455,279 19.799,280 27.768,281 13.326,282 23.029,283 17.709,284 17.709,285 17.709,286 17.709,287 17.709,288 13.683,289 33.159,290 6.278,291 18.697,292 4.098,293 1.807,294 0.765,295 0.365,296 0.365,297 0.365,298 4.239,299 1,302 1,303 851,304 4.183,307 381.62,314 1.794,315 44.524,318 0.75,319 0.5,320 0.83,321 0.8,322 0.5,323 1,324 1,325 0.77,326 75.333,327 411,328 4.535,329 3.627,330 6.77,331 4.146,332 3.171,333 4.257,334 2.443,335 11.076,336 3.094,337 4.185,338 3.278,339 6.048,340 3.744,341 2.805,342 3.815,343 0.657,344 8.678,345 2.656,346 4.059,347 3.114,348 5.638,349 3.674,350 2.712,351 3.653,352 0.286,353 7.863,354 2.567,355 3.647,356 3.042,357 5.305,358 3.337,359 2.394,360 3.013,362 6.649,363 2.25,364 3.577,365 2.768,366 5.205,367 3.186,368 2.256,369 2.745,371 6.548,372 2.102,373 3.51,374 2.385,375 5.038,376 3.154,377 2.194,378 2.683,380 5.702,381 2.059,382 3.3,383 2.252,384 4.756,385 2.932,386 1.985,387 2.549,389 5.197,390 1.876,391 3.217,392 2.226,393 4.686,394 2.816,395 1.862,396 2.432,398 5.041,399 1.758,400 3.1,401 1.975,402 4.632,403 2.678,404 1.731,405 2.304,407 4.929,408 1.631,409 2.903,410 1.844,411 4.231,412 2.456,413 1.531,414 2.018,415 3.951,416 1.364,417 2.661,418 1.72,419 3.483,420 2.184,421 1.196,422 1.733,423 2.605,424 1.177,425 2.39,426 1.268,427 3.341,428 2.035,429 1.073,430 1.256,431 2.308,432 1.02,433 2.009,434 0.845,435 3.327,436 1.574,437 0.624,438 0.823,439 1.435,440 0.575,441 1.747,442 0.716,443 3.13,444 1.53,445 0.553,446 0.641,448 1.103,449 0.538,450 1.39,451 0.568,452 2.753,453 1.048,454 0.138,455 0.165,457 0.272,458 0.116,459 15.967,460 0.47,461 0.911,462 0.027,463 44,464 1.294,465 22.5,466 0.662,467 21.5,468 0.632,469 30.501,470 0.897,471 37.433,472 0.634,473 37.726,474 1.11,475 8.932,476 0.263,477 7.329,478 0.216,479 0.196,481 0.338,483 1,485 0.704,486 1.135,487 0.652,488 1.013,489 0.699,490 0.923,491 0.686,492 1.021,493 0.659,494 0.935,495 0.507,496 0.881,497 1.225,498 1.118,499 0.992,500 0.892,501 1.079,502 0.915,503 0.879,504 1.25,505 0.989,506 1.147,507 0.804,508 1.104,509 1.026,510 1.058,511 0.941,512 0.941,513 1.016,514 1.036,515 0.669,516 0.892,517 0.805,518 0.909,519 0.575,520 0.939,521 0.958,522 0.834,523 1.187,524 1.003,525 0.873,526 0.966,527 1.047,528 0.776,529 1.401,530 1.029,531 0.918,532 0.974,533 8,534 0.297,535 3.333,536 2.813,537 1.84,538 1.187,539 0.892,540 0.589,541 0.518,542 0.387,543 15694,544 52571,545 1.977,546 42.4,547 3,548 13,551 4,552 5,555 1.765,556 1.821,557 3.541,558 1.604,564 105.286,565 1.785,566 4.076,567 5.117,568 5.518,569 5.518,570 5.518,571 2.922,572 4.852,573 5.061,574 3.771,575 2115.3,576 8.901,577 33396.3,582 347.076,583 1.508,584 4.999,585 0.222,586 0.007,587 0.068,588 0.055,589 0.037,590 0.025,591 0.018,592 0.013,593 0.012,594 0.009,595 0.465,597 0.75,598 1.308,599 182.85,600 -0.025,601 0.01,602 0.013,604 -0.096,605 0.017,606 0.128,607 0.013,608 0.127,609 0.059,610 0.149,611 0.083,612 -0.198,613 -0.069,614 -0.066,615 0.069,616 -0.16,617 0.018,618 -0.054,619 -0.226,620 -0.091,621 -0.192,622 -0.033,623 -0.158,624 -0.117,625 -0.026,626 -0.129,627 -0.046,628 -0.164,629 -0.121,630 0.059,632 0.112,633 0.038,634 0.051,635 0.05,636 0.049,637 0.069,638 0.055,639 0.026,640 0.024,641 0.046,642 0.038,643 0.165,644 -0.049,645 0.048,646 -0.005,647 0.044,648 2.076,649 5.617,650 0.529,651 36.706,652 1.018,653 1.141,654 4.249,655 18.051,656 0.667,657 3.611,658 3.912,659 4.111,660 4.357,661 4.543,662 4.605,663 4.644,664 4.718,665 4.779,666 4.804,667 7.619,668 0.645,669 486,670 3.611,671 5.142,672 5.964,673 6.83,674 7.672,675 8.545,676 9.396,677 10.273,678 11.131,679 12.011,680 11.9,684 2,687 1,690 2,692 2,695 7,696 2,700 9,702 18,711 2,717 2,718 59,719 20,720 2,721 36,723 61,724 23,725 16,726 5,727 7,729 3,730 3,731 1,734 2,739 1,741 17,742 6,744 2,748 1,750 2,751 1,755 1,757 25,758 10,759 4,760 11,761 1,764 7,769 1,770 2,776 1,781 3,793 1,802 3,806 2,807 1,808 1,810 34,811 2,816 4,818 1,821 1,828 2,829 3.4,832 1,834 1,836 18.667,837 11.119,838 7.611,839 3.435,840 3.722,841 1.497,842 0.959,843 8.883,844 11.216,845 3.871,846 4.449,847 4.961,848 5.52,849 6.04,850 6.27,851 6.578,852 6.932,853 7.283,854 7.562,855 0.875,856 51,857 12.517,859 5.2,860 8.008,861 23.152,863 18.045,865 2.508,866 85.278,870 247.193,871 134.433,872 135.571,873 39.149,874 36.145,875 14.96,877 134.433,878 322.487,879 150.531,880 17.65,881 14.34,882 132.128,883 65.907,884 38.692,885 52.391,886 247.193,887 39.149,888 247.193,889 270.003,890 51.105,891 39.149,893 262.153,894 36.145,897 36.646,898 166.582,899 105.923,901 262.153,902 171.716,903 173.581,906 247.193,907 50.449,908 86.986,910 222.822,911 247.193,912 186.676,913 173.581,915 0.575,916 0.32,917 0.172,918 0.094,919 20,920 11,921 0.164,922 10,924 1,925 4.355,926 302.726,928 18,929 172.974,933 25.505,934 11.842,935 7.189,937 186.676,938 11.322,939 8.34,943 3.489,945 65.794,946 607.45,947 47,951 11.135,953 8.558,954 -0.409,956 60.04,957 67.343,958 0.303,959 0.693,960 0.87,961 0.938,962 0.938,963 0.938,964 5.097,965 1.862,966 5.948,967 5.197,968 4.595,969 5.136,970 2.477,971 6.723,972 4.492,973 6.304,974 1.731,975 7.487,976 5.041,977 4.205,978 4.945,979 2.243,980 7.567,981 4.03,982 7.602,983 1.531,984 9.122,985 4.929,986 6.155,987 7.292,988 3.849,989 10.643,990 5.969,991 8.931,992 1.196,993 10.815,994 3.951,995 6.524,996 7.861,997 4.269,998 12.335,999 6.278,1000 10.289,1001 1.073,1002 12.545,1003 2.605,1004 7.977,1005 9.725,1006 5.487,1007 14.957,1008 7.723,1009 11.667,1010 0.624,1011 14.304,1012 2.308,1013 8.719,1014 10.679,1015 6.158,1016 17.045,1017 8.421,1018 13.062,1019 0.553,1020 16.086,1021 1.435,1022 9.968,1023 12.325,1024 7.208,1025 19.511,1026 9.659,1027 3.171,1028 0.138,1029 17.887,1030 1.103,1031 10.903,1032 13.492,1033 7.992,1034 21.777,1035 10.561,1036 2.805,1037 11.076,1038 19.705,1039 0.272,1040 12.069,1041 15.028,1042 8.963,1043 24.192,1044 11.713,1045 2.712,1046 8.678,1047 21.536,1048 4.257,1049 13.101,1050 16.311,1051 9.802,1052 26.535,1053 12.72,1054 2.394,1055 7.863,1056 23.379,1057 3.815,1058 14.237,1059 17.792,1060 10.734,1061 28.936,1062 13.84,1063 2.256,1064 6.649,1065 25.233,1066 3.653,1067 15.319,1068 19.14,1069 11.599,1070 31.312,1071 14.901,1072 2.194,1073 6.548,1074 27.095,1075 3.013,1076 16.447,1077 20.594,1078 12.512,1079 33.711,1080 16.012,1081 1.985,1082 5.702,1083 28.964,1084 2.745,1085 17.555,1086 21.98,1087 13.391,1088 36.101,1089 17.101,1090 15562,1091 28651,1092 23.175,1093 39.358,1094 53.294,1095 54.095,1096 55.017,1097 52.659,1098 52.451,1099 68.175,1100 6.772,1101 146.714,1102 49.569,1103 5.443,1104 5.627,1105 6.331,1106 5.216,1107 5.171,1108 7.257,1109 4.174,1110 17.964,1111 5.094,1112 21.168,1113 1.48,1114 1.503,1115 1.528,1116 1.463,1117 1.457,1118 1.894,1119 0.188,1120 4.075,1121 1.377,1122 4.021,1123 4.056,1124 4.057,1125 3.939,1126 8.201,1127 3.943,1128 3.923,1129 3.957,1130 3.87,1131 3.847,1132 7.434,1133 3.846,1134 3.767,1135 3.815,1136 3.824,1137 3.629,1138 5.287,1139 3.643,1140 3.655,1141 3.697,1142 3.568,1143 3.412,1144 5.04,1145 3.438,1146 3.459,1147 3.513,1148 3.382,1149 3.211,1150 4.975,1151 3.233,1152 3.392,1153 3.485,1154 3.286,1155 3.192,1156 4.734,1157 3.184,1158 3.146,1159 3.235,1160 3.204,1161 2.953,1162 4.613,1163 2.944,1164 3.105,1165 3.203,1166 2.993,1167 2.899,1168 4.465,1169 2.915,1170 0.126,1171 0.101,1172 0.188,1173 0.115,1174 0.088,1175 4.535,1176 0.118,1177 3.627,1178 0.068,1179 6.77,1180 0.308,1181 4.146,1182 0.086,1183 3.171,1184 4.257,1185 2.443,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.027,1191 2.065,1192 1.191,1193 2.055,1194 1.903,1195 1.875,1196 2.014,1197 2.011,1198 1.177,1199 2.012,1200 1.707,1201 1.664,1202 1.852,1203 1.875,1204 1.01,1205 1.865,1206 1.563,1207 1.513,1208 1.791,1209 1.815,1210 1.001,1211 1.807,1212 1.385,1213 1.32,1214 1.661,1215 1.65,1216 0.694,1217 1.656,1218 1.375,1219 1.295,1220 1.614,1221 1.632,1222 0.615,1223 1.642,1224 1.125,1225 1.052,1226 1.419,1227 1.383,1228 0.595,1229 1.39,1230 1.015,1231 0.941,1232 1.267,1233 1.361,1234 0.184,1235 1.354,1236 4.29,1238 5.595,1240 7.081,1242 8.66,1244 10.29,1246 3.259,1247 6.359,1248 13.617,1250 11.85,1252 1.189,1254 5.014,1257 1.554,1262 38.058,1263 105.286,1264 240.47,1265 301.915,1266 325.566,1267 325.566,1268 325.566,1269 86.108,1270 7.494,1271 132.08,1272 132.08,1273 18,1274 12.552,1275 4.392,1276 3.585,1277 67.04,1278 156,1279 138,1280 0.206,1281 242.096,1282 423.5,1283 582.475,1284 18470,1285 3.4,1286 24.665,1287 0.725,1288 0.576,1289 24.294,1290 19.589,1291 16.261,1292 0.452,1293 0.303,1294 10.379,1295 15.199,1296 10.078,1297 8.377,1298 16.156,1299 10.904,1300 14.752,1301 0.301,1302 0.158,1303 14.489,1304 7.763,1305 11.204,1306 0.187,1307 0.085,1308 11.263,1309 5.106,1310 9.408,1311 0.122,1312 0.044,1313 9.292,1314 3.424,1315 7.202,1316 0.077,1317 0.024,1318 7.308,1319 2.225,1320 0.325,1321 106.009,1322 0.208,1323 31.473,1324 0.56,1325 170,1326 614.636,1327 207.179,1328 597.704,1329 788.45,1330 554,1331 194,1332 551.718,1333 225.338,1334 557.624,1335 803.61,1336 523,1337 5.412}
{0 CHEMBL85919,1 1.751,2 12.059,3 5.222,4 27.268,5 139.141,6 8.516,7 0.5,8 4.171,9 4.297,10 3.835,11 3.694,12 5.367,13 3.68,14 4.662,15 4.836,16 4.201,17 4.049,18 5.856,19 4.011,20 4.885,21 5.078,22 4.323,23 4.185,24 6.023,25 4.135,26 4.912,27 5.104,28 4.287,29 4.186,30 6.077,31 4.122,32 5.002,33 5.225,34 4.267,35 4.199,36 6.123,37 4.136,38 5.051,39 5.292,40 4.313,41 4.248,42 6.137,43 4.156,44 5.034,45 5.263,46 4.359,47 4.222,48 6.181,49 4.123,50 4.895,51 5.105,52 4.303,53 4.168,54 6.027,55 4.076,56 0.15,57 0.887,58 10.119,59 4.837,60 17.021,61 6.139,62 0.447,63 1.305,64 20.959,65 8.27,66 41.195,67 10.781,68 0.64,69 1.519,70 31.352,71 9.383,72 62.245,73 12.249,74 0.611,75 1.594,76 34.232,77 9.781,78 65.109,79 13.172,80 0.745,81 1.727,82 33.782,83 9.613,84 74.201,85 13.544,86 0.686,87 1.709,88 39.23,89 11.744,90 76.133,91 16.404,92 0.891,93 1.527,94 46.218,95 12.456,96 95.125,97 16.618,98 0.703,99 1.341,100 39.771,101 11.452,102 63.685,103 14.553,104 57,105 49,106 0.284,107 0.65,108 0.813,109 0.883,110 0.894,111 0.894,112 3.56,113 0.941,114 -5.58,115 -5.45,116 -5.09,119 39,120 2,121 1,125 3,139 7,140 3,141 3,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 9,169 3,170 7,172 3,173 3,175 1,178 12,180 1,181 1,182 9,187 1,189 10,191 1,192 1,193 16,195 1,196 1,197 1,198 5,200 2,201 5,204 5,205 1,206 2,207 15,212 4,215 4,218 4,220 3,221 9,223 1,224 1,226 2,229 2,231 2,233 3,234 11,236 1,237 1,239 2,241 6,243 2,245 2,246 7,248 2,249 2,254 10,260 7,262 1,263 1,265 1,268 16,270 1,273 2180,274 22.507,275 22.507,276 22.507,277 22.507,278 22.507,279 19.824,280 26.396,281 13.349,282 23.129,283 17.687,284 17.687,285 17.687,286 17.687,287 17.687,288 13.657,289 30.524,290 6.258,291 18.79,292 4.132,293 1.875,294 0.867,295 0.432,296 0.365,297 0.365,298 4.239,299 2,303 849,304 4.183,307 380.374,314 1.765,315 38.321,318 0.5,319 0.5,320 0.67,321 0.7,322 0.5,323 0.83,324 1,325 0.67,326 74.167,327 410,328 4.535,329 3.627,330 6.77,331 4.146,332 3.171,333 4.257,334 2.443,335 11.076,336 3.094,337 4.196,338 3.279,339 6.068,340 3.796,341 2.852,342 3.816,343 0.657,344 8.772,345 2.675,346 4.165,347 3.231,348 6.042,349 3.714,350 2.782,351 3.778,352 0.286,353 8.654,354 2.57,355 3.642,356 3.109,357 5.311,358 3.325,359 2.389,360 3.012,362 6.755,363 2.223,364 3.569,365 2.682,366 5.276,367 3.186,368 2.256,369 2.724,371 6.594,372 2.1,373 3.478,374 2.385,375 5.038,376 3.142,377 2.183,378 2.618,380 5.702,381 2.048,382 3.3,383 2.226,384 4.756,385 2.932,386 1.985,387 2.548,389 5.156,390 1.876,391 3.109,392 1.986,393 4.65,394 2.681,395 1.733,396 2.324,398 4.932,399 1.637,400 2.955,401 1.941,402 4.244,403 2.48,404 1.549,405 2.104,407 3.989,408 1.438,409 2.867,410 1.84,411 4.132,412 2.416,413 1.434,414 2.018,415 3.685,416 1.359,417 2.798,418 1.691,419 3.599,420 2.337,421 1.414,422 1.903,423 2.971,424 1.23,425 2.39,426 1.479,427 3.341,428 2.035,429 1.073,430 1.256,431 2.308,432 1.02,433 2.021,434 0.845,435 3.327,436 1.582,437 0.63,438 0.839,439 1.449,440 0.582,441 1.748,442 0.716,443 3.126,444 1.534,445 0.558,446 0.643,448 1.107,449 0.541,450 1.398,451 0.627,452 2.753,453 1.065,454 0.163,455 0.192,457 0.337,458 0.133,459 16.395,460 0.482,461 0.894,462 0.026,463 44,464 1.294,465 22.5,466 0.662,467 21.5,468 0.632,469 31.664,470 0.931,471 37.005,472 0.627,473 36.808,474 1.083,475 8.817,476 0.259,477 7.461,478 0.219,479 0.217,481 0.329,485 0.748,486 1.215,487 0.604,488 0.94,489 0.789,490 0.89,491 0.704,492 1.038,493 0.624,494 0.858,495 0.497,496 0.847,497 1.248,498 1.12,499 0.946,500 0.842,501 1.084,502 0.877,503 0.986,504 1.344,505 1.155,506 1.222,507 0.922,508 1.161,509 1.012,510 1.185,511 0.836,512 0.933,513 0.998,514 1.002,515 0.812,516 1.014,517 0.843,518 0.925,519 0.731,520 0.949,521 0.958,522 0.876,523 1.117,524 1.027,525 0.884,526 0.971,527 1.124,528 0.748,529 1.211,530 0.947,531 0.919,532 0.906,533 7.5,534 0.293,535 3.778,536 2.688,537 2,538 1.187,539 0.851,540 0.589,541 0.592,542 0.326,543 15578,544 51755,545 1.977,546 42.4,547 3,548 13,551 4,552 5,555 1.765,556 1.821,557 3.538,558 1.604,564 103.286,565 1.751,566 4.008,567 5.016,568 5.45,569 5.518,570 5.518,571 2.913,572 4.793,573 5.061,574 3.758,575 2108.02,576 8.902,577 33161.3,582 347.076,583 1.508,584 4.999,585 0.208,586 0.008,587 0.077,588 0.052,589 0.04,590 0.024,591 0.017,592 0.013,593 0.013,594 0.007,595 0.459,597 0.75,598 1.308,599 182.616,600 -0.021,601 0.036,602 0.008,603 0.009,604 -0.119,605 0.018,606 0.163,607 0.077,608 0.116,609 0.1,610 0.193,611 0.096,612 -0.192,613 -0.048,614 -0.028,615 0.108,616 -0.161,617 0.051,618 -0.062,619 -0.252,620 -0.175,621 -0.263,622 -0.064,623 -0.226,624 -0.098,625 -0.098,626 -0.065,627 -0.051,628 -0.138,629 -0.092,630 0.022,631 -0.004,632 0.056,633 0.022,634 0.018,635 0.026,636 0.098,637 0.058,638 0.042,639 -0.005,640 0.062,641 0.037,642 -0.021,643 0.197,644 0.013,645 0.109,646 -0.018,647 0.108,648 2.041,649 4.173,650 0.529,651 36.118,652 1.014,653 1.135,654 4.352,655 18.94,656 0.683,657 3.611,658 3.912,659 4.127,660 4.357,661 4.554,662 4.595,663 4.644,664 4.718,665 4.796,666 4.787,667 7.559,668 0.653,669 502.45,670 3.611,671 5.142,672 5.969,673 6.834,674 7.682,675 8.554,676 9.411,677 10.286,678 11.149,679 12.027,680 11.9,684 2,687 1,690 2,692 2,695 7,696 2,700 9,702 18,711 2,717 2,718 59,719 20,720 2,721 36,723 61,724 23,725 16,726 5,727 7,729 3,730 3,731 2,734 2,739 1,741 17,742 6,744 2,748 1,750 2,751 1,757 25,758 9,759 4,760 11,761 2,764 7,769 1,770 2,776 1,781 3,793 1,802 3,806 2,807 2,810 34,811 2,816 4,818 1,821 1,828 2,829 3.4,832 1,834 1,836 18.667,837 11.119,838 7.639,839 3.442,840 3.751,841 1.5,842 0.958,843 9.19,844 11.245,845 3.871,846 4.449,847 4.972,848 5.517,849 6.042,850 6.26,851 6.578,852 6.933,853 7.287,854 7.563,855 0.875,856 52,857 12.477,859 5.135,860 7.894,861 23.291,863 18.157,865 2.394,866 81.389,870 247.193,871 128.812,872 135.571,873 78.297,874 36.145,877 128.812,878 361.635,879 135.571,880 17.65,881 14.34,882 132.128,883 65.907,884 33.071,885 37.431,886 247.193,887 78.297,888 247.193,889 264.383,890 36.145,891 78.297,893 247.193,894 36.145,897 36.646,898 160.962,899 145.072,901 247.193,902 171.716,903 207.11,906 247.193,907 44.828,908 86.986,910 247.011,911 247.193,912 171.716,913 207.11,915 0.576,916 0.326,917 0.173,918 0.095,919 20,920 11,921 0.164,922 10,924 1,925 4.34,926 303.852,928 18,929 172.974,933 25.849,934 12.088,935 7.115,937 171.716,938 12.692,939 8.379,943 4.805,945 65.794,946 626.018,947 47,951 11.173,953 8.691,954 -0.375,956 59.851,957 66.947,958 0.298,959 0.681,960 0.853,961 0.927,962 0.938,963 0.938,964 5.097,965 1.733,966 5.953,967 5.156,968 4.595,969 5.136,970 2.477,971 6.737,972 4.479,973 6.304,974 1.549,975 7.501,976 4.932,977 4.205,978 4.945,979 2.243,980 7.612,981 3.997,982 7.604,983 1.434,984 9.147,985 3.989,986 6.163,987 7.298,988 3.849,989 10.693,990 5.954,991 8.937,992 1.414,993 10.852,994 3.685,995 6.553,996 7.886,997 4.269,998 12.41,999 6.264,1000 10.3,1001 1.073,1002 12.595,1003 2.971,1004 8.005,1005 9.747,1006 5.487,1007 15.027,1008 7.716,1009 11.684,1010 0.63,1011 14.367,1012 2.308,1013 8.768,1014 10.721,1015 6.158,1016 17.12,1017 8.419,1018 13.087,1019 0.558,1020 16.159,1021 1.449,1022 10.017,1023 12.362,1024 7.208,1025 19.578,1026 9.659,1027 3.171,1028 0.163,1029 17.97,1030 1.107,1031 10.965,1032 13.542,1033 7.992,1034 21.839,1035 10.566,1036 2.852,1037 11.076,1038 19.794,1039 0.337,1040 12.13,1041 15.074,1042 8.963,1043 24.246,1044 11.718,1045 2.782,1046 8.772,1047 21.629,1048 4.257,1049 13.169,1050 16.365,1051 9.802,1052 26.582,1053 12.728,1054 2.389,1055 8.654,1056 23.475,1057 3.816,1058 14.304,1059 17.842,1060 10.734,1061 28.976,1062 13.848,1063 2.256,1064 6.755,1065 25.329,1066 3.778,1067 15.388,1068 19.194,1069 11.599,1070 31.345,1071 14.91,1072 2.183,1073 6.594,1074 27.19,1075 3.012,1076 16.515,1077 20.644,1078 12.512,1079 33.738,1080 16.021,1081 1.985,1082 5.702,1083 29.057,1084 2.724,1085 17.622,1086 22.03,1087 13.391,1088 36.124,1089 17.11,1090 15451,1091 28334,1092 23.175,1093 40.279,1094 53.204,1095 54.39,1096 55.199,1097 52.775,1098 52.515,1099 68.263,1100 6.772,1101 147.342,1102 49.194,1103 5.444,1104 5.627,1105 6.458,1106 5.216,1107 5.171,1108 7.257,1109 4.174,1110 17.964,1111 5.094,1112 21.079,1113 1.478,1114 1.511,1115 1.533,1116 1.466,1117 1.459,1118 1.896,1119 0.188,1120 4.093,1121 1.366,1122 4.021,1123 4.055,1124 4.064,1125 3.94,1126 7.434,1127 3.944,1128 3.92,1129 3.95,1130 4.001,1131 3.864,1132 5.287,1133 3.856,1134 3.767,1135 3.814,1136 3.824,1137 3.629,1138 5.044,1139 3.643,1140 3.654,1141 3.695,1142 3.578,1143 3.413,1144 4.976,1145 3.437,1146 3.457,1147 3.511,1148 3.39,1149 3.211,1150 4.924,1151 3.232,1152 3.392,1153 3.485,1154 3.294,1155 3.192,1156 4.713,1157 3.184,1158 3.145,1159 3.235,1160 3.28,1161 2.956,1162 4.465,1163 2.943,1164 3.103,1165 3.202,1166 3.204,1167 2.9,1168 4.429,1169 2.915,1170 0.126,1171 0.101,1172 0.188,1173 0.115,1174 0.088,1175 4.535,1176 0.118,1177 3.627,1178 0.068,1179 6.77,1180 0.308,1181 4.146,1182 0.086,1183 3.171,1184 4.257,1185 2.443,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.025,1191 2.065,1192 1.192,1193 2.054,1194 1.905,1195 1.881,1196 2.005,1197 1.997,1198 1.182,1199 2.005,1200 1.707,1201 1.664,1202 1.852,1203 1.873,1204 1.013,1205 1.864,1206 1.564,1207 1.514,1208 1.792,1209 1.814,1210 1.002,1211 1.807,1212 1.386,1213 1.321,1214 1.663,1215 1.649,1216 0.695,1217 1.656,1218 1.376,1219 1.295,1220 1.614,1221 1.631,1222 0.627,1223 1.642,1224 1.129,1225 1.055,1226 1.429,1227 1.383,1228 0.596,1229 1.393,1230 1.015,1231 0.942,1232 1.267,1233 1.361,1234 0.184,1235 1.354,1236 4.29,1238 5.595,1240 7.086,1242 8.671,1244 10.307,1246 3.305,1247 12.692,1250 11.886,1252 1.435,1254 5.062,1257 1.644,1262 38.502,1263 103.286,1264 236.47,1265 295.915,1266 321.566,1267 325.566,1268 325.566,1269 78.47,1270 7.494,1271 132.08,1272 132.08,1273 18,1274 12.568,1275 4.392,1276 3.585,1277 67.029,1278 155,1279 138,1280 0.207,1281 249.231,1282 432.64,1283 599.884,1284 18470,1285 3.4,1286 24.665,1287 0.725,1288 0.598,1289 25.665,1290 20.345,1291 16.278,1292 0.452,1293 0.314,1294 10.441,1295 15.042,1296 10.087,1297 8.383,1298 16.855,1299 11.288,1300 14.636,1301 0.299,1302 0.166,1303 15.377,1304 8.132,1305 11.417,1306 0.187,1307 0.091,1308 12.177,1309 5.532,1310 9.335,1311 0.121,1312 0.047,1313 9.823,1314 3.597,1315 7.313,1316 0.078,1317 0.025,1318 7.782,1319 2.39,1320 0.327,1321 108.419,1322 0.208,1323 31.428,1324 0.566,1325 170,1326 554.728,1327 218.868,1328 597.486,1329 789.01,1330 554,1331 195,1332 536.247,1333 235.138,1334 558.323,1335 806.42,1336 524,1337 5.076}
{0 CHEMBL85958,1 1.797,2 13.361,3 4.452,4 19.819,5 141.661,6 8.41,7 0.474,8 4.216,9 4.34,10 3.863,11 3.693,12 5.475,13 3.698,14 4.701,15 4.868,16 4.214,17 4.047,18 6.027,19 4.034,20 4.921,21 5.111,22 4.307,23 4.179,24 6.122,25 4.157,26 4.976,27 5.171,28 4.285,29 4.189,30 6.214,31 4.155,32 5.047,33 5.27,34 4.235,35 4.201,36 6.2,37 4.152,38 5.063,39 5.306,40 4.277,41 4.236,42 6.15,43 4.158,44 5.08,45 5.311,46 4.342,47 4.218,48 6.256,49 4.137,50 4.936,51 5.142,52 4.299,53 4.16,54 6.154,55 4.096,56 0.273,57 0.938,58 10.49,59 4.847,60 20.224,61 6.116,62 0.615,63 1.366,64 21.009,65 8.186,66 72.131,67 10.672,68 0.763,69 1.604,70 29.708,71 8.878,72 70.04,73 11.948,74 0.765,75 1.686,76 31.393,77 9.5,78 86.411,79 13.03,80 0.924,81 1.762,82 33.765,83 9.441,84 101.348,85 13.633,86 0.787,87 1.734,88 36.31,89 11.198,90 83.361,91 16.179,92 1.115,93 1.572,94 44.859,95 12.015,96 118.798,97 16.568,98 0.917,99 1.415,100 39.145,101 11.024,102 83.728,103 14.261,104 77,105 52,106 0.288,107 0.664,108 0.815,109 0.867,110 0.867,111 0.867,112 3.615,113 0.892,114 -5.3,115 -5.19,116 -4.85,119 37.7,120 2,121 1,125 3,139 7,140 3,141 3,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 4,166 9,169 4,170 9,172 3,173 3,175 1,178 10,180 1,181 1,182 16,187 1,189 8,191 1,192 1,193 21,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 2,207 16,212 4,215 4,218 4,220 4,221 8,223 1,224 1,226 2,229 2,231 2,233 6,234 9,236 1,237 1,239 2,241 7,243 2,245 5,246 7,248 2,249 2,254 13,259 3,260 6,262 1,263 1,265 1,268 13,270 1,273 2642,274 23.662,275 23.662,276 23.662,277 23.662,278 23.662,279 20.754,280 31.094,281 13.928,282 24.23,283 18.66,284 18.66,285 18.66,286 18.66,287 18.66,288 14.247,289 36.653,290 6.523,291 19.607,292 4.133,293 1.78,294 0.839,295 0.517,296 0.517,297 0.517,298 4.293,299 1,303 995,304 4.528,307 411.262,314 1.861,315 49.157,318 0.5,319 0.5,320 0.5,321 0.6,323 0.33,325 0.35,326 80.333,327 481,328 4.535,329 3.778,330 6.77,331 4.146,332 3.171,333 4.257,334 2.612,335 11.076,336 3.094,337 4.257,338 3.627,339 6.048,340 3.784,341 2.817,342 3.952,343 2.443,344 8.678,345 2.736,346 4.184,347 3.278,348 5.932,349 3.723,350 2.782,351 3.815,352 0.657,353 8.26,354 2.588,355 3.837,356 3.113,357 5.552,358 3.515,359 2.561,360 3.257,361 0.286,362 7.556,363 2.441,364 3.629,365 2.938,366 5.304,367 3.206,368 2.261,369 3.01,371 6.62,372 2.14,373 3.557,374 2.423,375 5.038,376 3.186,377 2.236,378 2.719,380 6.01,381 2.094,382 3.427,383 2.385,384 5.018,385 3.068,386 2.095,387 2.586,389 5.702,390 2.01,391 3.3,392 2.226,393 4.756,394 2.932,395 1.985,396 2.547,398 5.147,399 1.876,400 3.107,401 1.98,402 4.647,403 2.68,404 1.732,405 2.32,407 4.931,408 1.634,409 2.962,410 1.935,411 4.233,412 2.459,413 1.535,414 2.087,415 3.957,416 1.366,417 2.866,418 1.841,419 3.781,420 2.253,421 1.258,422 1.954,423 2.946,424 1.25,425 2.5,426 1.697,427 3.414,428 2.035,429 1.073,430 1.5,431 2.31,432 1.02,433 2.39,434 1,435 3.341,436 2,437 1,438 1.256,439 2.275,440 1,441 2.018,442 1,443 3.327,444 1.578,445 0.627,446 0.832,448 1.446,449 0.58,450 1.748,451 0.845,452 3.126,453 1.532,454 0.555,455 0.642,457 1.105,458 0.54,459 16.748,460 0.465,461 1,462 0.028,463 48.5,464 1.347,465 25.5,466 0.708,467 23,468 0.639,469 31.345,470 0.871,471 39.652,472 0.65,473 42.663,474 1.185,475 9.755,476 0.271,477 7.417,478 0.206,479 0.21,481 0.346,485 0.608,486 1.209,487 0.639,488 0.996,489 0.653,490 0.917,491 0.615,492 1.076,493 0.648,494 0.942,495 0.411,496 0.884,497 1.084,498 1.173,499 0.955,500 0.929,501 0.807,502 0.927,503 0.97,504 1.316,505 1.027,506 1.163,507 0.907,508 1.13,509 0.993,510 1.16,511 0.921,512 0.952,513 0.914,514 1.033,515 0.671,516 1.014,517 0.84,518 0.954,519 0.515,520 0.986,521 0.891,522 0.847,523 1.178,524 0.99,525 0.809,526 0.97,527 0.946,528 0.78,529 1.367,530 1.055,531 0.695,532 0.982,533 8.5,534 0.371,535 4,536 2.813,537 2,538 1.312,539 0.892,540 0.682,541 0.584,542 0.369,543 18552,544 66441,545 1.963,546 41,547 3,548 13,551 4,552 5,555 1.778,556 1.8,557 3.674,558 1.605,564 109.637,565 1.797,566 4.15,567 5.092,568 5.414,569 5.414,570 5.414,571 3.059,572 4.781,573 5.141,574 3.883,575 2446.4,576 9.062,577 40514,582 361.775,583 1.53,584 5.076,585 0.224,586 0.009,587 0.077,588 0.051,589 0.038,590 0.026,591 0.018,592 0.014,593 0.012,594 0.008,595 0.476,597 0.63,598 1.355,599 197.82,600 0.087,601 0.07,602 0.021,603 0.029,604 -0.069,605 0.013,606 0.197,607 0.051,608 0.135,609 0.075,610 0.243,611 0.088,612 -0.179,613 -0.084,614 -0.047,615 0.048,616 -0.086,617 0.021,618 -0.112,619 -0.231,620 -0.132,621 -0.193,622 -0.068,623 -0.178,624 -0.15,625 -0.1,626 -0.103,627 -0.035,628 -0.15,629 -0.09,630 0.028,631 0.001,632 0.084,633 0.018,634 0.02,635 0.026,636 0.068,637 0.077,638 0.065,639 0.05,640 -0.003,641 0.062,642 0.034,643 0.188,644 -0.031,645 0.029,646 0.032,647 0.046,648 2.472,649 4.178,650 0.5,651 42.022,652 1.023,653 1.139,654 4.071,655 16.574,656 0.665,657 3.664,658 3.97,659 4.174,660 4.394,661 4.595,662 4.673,663 4.727,664 4.787,665 4.836,666 4.86,667 8.114,668 0.649,669 513.01,670 3.664,671 5.198,672 6.023,673 6.889,674 7.734,675 8.605,676 9.459,677 10.334,678 11.194,679 12.071,680 13.1,684 2,687 1,690 2,691 1,692 2,695 7,696 2,700 9,702 18,711 2,713 1,717 1,718 61,719 22,720 2,721 38,723 63,724 23,725 16,726 5,727 7,729 3,730 3,731 1,734 2,739 1,741 17,742 6,744 4,746 1,748 3,750 2,751 1,757 25,758 11,759 4,760 13,761 1,764 8,769 1,770 4,776 1,781 3,793 1,802 3,806 2,807 1,810 36,811 2,816 4,818 1,821 1,828 1,829 6.6,832 1,834 1,835 2,836 20,837 11.51,838 8.056,839 3.516,840 3.939,841 1.516,842 0.947,843 9.392,844 11.574,845 3.951,846 4.538,847 5.042,848 5.581,849 6.113,850 6.385,851 6.695,852 6.986,853 7.33,854 7.603,855 0.889,856 55,857 13.218,859 5.503,860 8.091,861 24.261,863 18.853,865 2.591,866 93.278,870 247.193,871 128.068,872 141.241,873 39.149,874 86.892,877 128.068,878 373.234,879 141.241,880 23.32,881 14.34,882 132.128,883 65.907,884 32.327,885 37.431,886 247.193,887 89.896,888 247.193,889 269.309,890 86.892,891 39.149,893 247.193,894 36.145,895 50.747,897 36.646,898 160.218,899 111.593,901 247.193,902 228.132,903 167.217,906 247.193,907 44.084,908 92.656,910 258.609,911 247.193,912 228.132,913 167.217,915 0.579,916 0.324,917 0.168,918 0.092,919 21,920 12,921 0.175,922 11,924 1,925 4.507,926 325.889,928 18,929 180.117,933 27.113,934 12.471,935 7.507,937 222.462,938 11.211,939 8.337,943 3.81,945 65.794,946 642.543,947 51,949 -0.472,951 33.013,953 8.583,954 -0.423,956 62.4,957 69.505,958 0.303,959 0.7,960 0.859,961 0.913,962 0.913,963 0.913,964 5.179,965 1.985,966 6.014,967 5.702,968 4.654,969 5.226,970 3.14,971 6.795,972 4.562,973 6.395,974 1.732,975 7.562,976 5.147,977 4.29,978 5.103,979 2.946,980 7.667,981 4.141,982 7.702,983 1.535,984 9.206,985 4.931,986 6.225,987 7.405,988 4.698,989 10.725,990 6.054,991 9.041,992 1.258,993 10.906,994 3.957,995 6.621,996 8.047,997 5.082,998 12.427,999 6.402,1000 10.407,1001 1.073,1002 12.644,1003 2.946,1004 8.06,1005 9.865,1006 6.435,1007 15.03,1008 7.823,1009 11.794,1010 1,1011 14.408,1012 2.31,1013 8.817,1014 10.873,1015 7.069,1016 17.111,1017 8.541,1018 13.197,1019 0.627,1020 16.193,1021 2.275,1022 10.056,1023 12.486,1024 8.236,1025 19.563,1026 9.763,1027 3.171,1028 0.555,1029 17.995,1030 1.446,1031 10.995,1032 13.684,1033 9.001,1034 21.82,1035 10.672,1036 2.817,1037 11.076,1038 19.811,1039 1.105,1040 12.154,1041 15.199,1042 10.071,1043 24.225,1044 11.812,1045 2.782,1046 8.678,1047 21.639,1048 4.257,1049 13.185,1050 16.5,1051 10.91,1052 26.561,1053 12.818,1054 2.561,1055 8.26,1056 23.478,1057 3.952,1058 14.315,1059 17.967,1060 11.925,1061 28.956,1062 13.929,1063 2.261,1064 7.556,1065 25.327,1066 3.815,1067 15.393,1068 19.322,1069 12.807,1070 31.327,1071 14.986,1072 2.236,1073 6.62,1074 27.183,1075 3.257,1076 16.516,1077 20.767,1078 13.793,1079 33.723,1080 16.09,1081 2.095,1082 6.01,1083 29.046,1084 3.01,1085 17.619,1086 22.153,1087 14.701,1088 36.11,1089 17.173,1090 18446,1091 35109,1092 24.274,1093 40.574,1094 56.471,1095 58.259,1096 58.498,1097 55.814,1098 55.66,1099 73.81,1100 11.997,1101 156.593,1102 52.974,1103 5.443,1104 5.778,1105 6.326,1106 5.216,1107 5.171,1108 7.257,1109 4.612,1110 17.964,1111 5.094,1112 23.719,1113 1.486,1114 1.533,1115 1.539,1116 1.469,1117 1.465,1118 1.942,1119 0.316,1120 4.121,1121 1.394,1122 4.032,1123 4.066,1124 4.059,1125 3.941,1126 7.815,1127 3.946,1128 3.977,1129 4.006,1130 3.949,1131 3.871,1132 7.434,1133 3.877,1134 3.771,1135 3.822,1136 3.824,1137 3.629,1138 6.999,1139 3.643,1140 3.679,1141 3.724,1142 3.612,1143 3.42,1144 5.287,1145 3.45,1146 3.543,1147 3.568,1148 3.484,1149 3.236,1150 5.04,1151 3.278,1152 3.394,1153 3.485,1154 3.327,1155 3.193,1156 4.975,1157 3.185,1158 3.388,1159 3.44,1160 3.279,1161 3.07,1162 4.744,1163 3.116,1164 3.134,1165 3.23,1166 3.204,1167 2.904,1168 4.653,1169 2.926,1170 0.119,1171 0.099,1172 0.178,1173 0.109,1174 0.083,1175 4.535,1176 0.112,1177 3.778,1178 0.069,1179 6.77,1180 0.291,1181 4.146,1182 0.081,1183 3.171,1184 4.257,1185 2.612,1186 11.076,1187 3.094,1188 1.959,1189 1.935,1190 2.04,1191 2.094,1192 1.195,1193 2.066,1194 1.932,1195 1.905,1196 2.022,1197 2.061,1198 1.186,1199 2.048,1200 1.707,1201 1.664,1202 1.852,1203 1.9,1204 1.02,1205 1.873,1206 1.572,1207 1.521,1208 1.794,1209 1.83,1210 1.003,1211 1.819,1212 1.397,1213 1.346,1214 1.664,1215 1.716,1216 0.697,1217 1.674,1218 1.38,1219 1.296,1220 1.614,1221 1.633,1222 0.635,1223 1.651,1224 1.238,1225 1.188,1226 1.449,1227 1.585,1228 0.596,1229 1.546,1230 1.025,1231 0.953,1232 1.267,1233 1.377,1234 0.218,1235 1.358,1236 4.344,1238 5.652,1240 7.143,1242 8.723,1244 10.353,1246 3.241,1247 6.371,1250 11.86,1252 1.161,1254 5.026,1257 1.561,1262 39.599,1263 109.637,1264 253.169,1265 310.614,1266 330.265,1267 330.265,1268 330.265,1269 97.489,1270 7.634,1271 177.9,1272 177.9,1273 18,1274 12.613,1275 4.524,1276 3.807,1277 73.489,1278 175,1279 172,1280 0.2,1281 252.758,1282 443.37,1283 608.488,1284 22258,1285 1.6,1286 26.242,1287 0.729,1288 0.569,1289 26.742,1290 20.475,1291 17.172,1292 0.452,1293 0.297,1294 10.761,1295 15.98,1296 10.463,1297 8.702,1298 17.461,1299 11.304,1300 15.639,1301 0.301,1302 0.155,1303 16.009,1304 8.057,1305 11.993,1306 0.187,1307 0.084,1308 12.373,1309 5.364,1310 9.725,1311 0.122,1312 0.044,1313 9.96,1314 3.512,1315 7.542,1316 0.077,1317 0.024,1318 7.785,1319 2.333,1320 0.317,1321 112.506,1322 0.203,1323 33.098,1324 0.538,1325 180,1326 651.641,1327 219.525,1328 653.694,1329 859.65,1330 602,1331 206,1332 609.75,1333 240.247,1334 614.989,1335 882.1,1336 575,1337 5.478}
{0 CHEMBL86085,1 1.623,2 11.806,3 4.241,4 17.984,5 130.05,6 7.719,7 0.545,8 4.129,9 4.268,10 3.708,11 3.643,12 5.292,13 3.619,14 4.614,15 4.801,16 4.039,17 4.007,18 5.716,19 3.951,20 4.862,21 5.088,22 4.156,23 4.129,24 5.908,25 4.061,26 4.891,27 5.12,28 4.137,29 4.114,30 5.983,31 4.046,32 4.933,33 5.165,34 4.125,35 4.144,36 6.026,37 4.075,38 5.018,39 5.273,40 4.142,41 4.2,42 6.059,43 4.09,44 4.978,45 5.23,46 4.179,47 4.176,48 6.022,49 4.047,50 4.85,51 5.077,52 4.06,53 4.094,54 5.924,55 3.966,56 0.119,57 0.875,58 11.603,59 4.727,60 17.36,61 6.447,62 0.257,63 1.304,64 21.163,65 8.003,66 31.27,67 11.127,68 0.346,69 1.54,70 30.888,71 9.102,72 44.004,73 13.516,74 0.454,75 1.591,76 32.195,77 9.008,78 53.212,79 13.573,80 0.455,81 1.682,82 31.199,83 8.508,84 57.034,85 13.288,86 0.514,87 1.672,88 36.791,89 11.146,90 68.715,91 16.435,92 0.526,93 1.484,94 41.833,95 11.982,96 66.285,97 17.168,98 0.431,99 1.298,100 37.409,101 11.184,102 54.804,103 15.064,104 32,105 44,106 0.266,107 0.639,108 0.801,109 0.87,110 0.878,111 0.878,112 3.472,113 0.948,114 -5.16,115 -5.06,116 -4.73,119 38.6,120 1,121 2,125 3,139 8,140 3,141 2,143 1,144 1,147 1,157 2,158 2,159 2,160 2,166 11,169 2,170 6,172 3,173 3,175 2,178 12,180 1,182 11,187 1,189 9,191 1,193 17,195 1,196 2,197 1,198 5,200 2,201 5,204 5,205 1,207 13,210 1,212 4,215 6,218 4,220 2,221 6,223 1,224 2,226 3,229 5,231 2,233 2,234 5,236 1,237 1,239 4,241 10,243 2,245 2,246 2,248 2,249 2,251 3,254 13,260 1,262 1,263 1,265 5,268 11,270 1,273 1712,274 21.016,275 21.016,276 21.016,277 21.016,278 21.016,279 18.592,280 24.967,281 12.741,282 21.448,283 16.208,284 16.208,285 16.208,286 16.208,287 16.208,288 12.575,289 31.671,290 5.947,291 16.987,292 4.21,293 1.932,294 0.939,295 0.518,296 0.469,297 0.469,298 4.154,299 1,302 1,303 764,304 3.742,307 340.19,314 1.709,315 29.08,318 1,319 1,320 0.83,321 0.8,322 0.5,323 1,324 1,325 0.88,326 66.833,327 366,328 4.535,329 3.278,330 6.77,331 4.146,332 3.171,333 4.257,334 0.657,335 11.076,336 3.094,337 4.185,338 3.113,339 6.048,340 3.737,341 2.801,342 3.815,344 8.678,345 2.624,346 3.939,347 2.936,348 5.575,349 3.618,350 2.649,351 3.458,353 7.677,354 2.547,355 3.633,356 2.388,357 5.304,358 3.23,359 2.275,360 3.012,362 6.621,363 2.181,364 3.472,365 2.385,366 5.039,367 3.16,368 2.219,369 2.621,371 6.1,372 2.056,373 3.3,374 2.226,375 5.037,376 2.932,377 1.985,378 2.548,380 5.702,381 1.876,382 3.109,383 1.97,384 4.756,385 2.682,386 1.733,387 2.324,389 4.932,390 1.639,391 2.955,392 1.822,393 4.234,394 2.488,395 1.56,396 2.104,398 3.963,399 1.461,400 2.839,401 1.714,402 3.606,403 2.468,404 1.483,405 1.955,407 3.07,408 1.4,409 2.502,410 1.492,411 3.446,412 2.296,413 1.329,414 1.5,415 2.614,416 1.27,417 2.5,418 1,419 3.328,420 2,421 1,422 1.466,423 2.136,424 1,425 2.162,426 0.851,427 3.247,428 1.63,429 0.671,430 0.935,431 1.495,432 0.632,433 1.748,434 0.749,435 3.134,436 1.541,437 0.567,438 0.645,439 1.109,440 0.545,441 1.392,442 0.566,443 2.751,444 1.148,445 0.235,446 0.247,448 0.395,449 0.209,450 1.292,451 0.402,452 2.646,453 1.047,454 0.132,455 0.156,457 0.262,458 0.113,459 14.848,460 0.479,461 0.66,462 0.021,463 40.25,464 1.298,465 21,466 0.677,467 19.25,468 0.621,469 27.147,470 0.876,471 33.752,472 0.592,473 31.947,474 1.031,475 7.956,476 0.257,477 7.055,478 0.228,479 0.158,481 0.296,485 0.874,486 1.171,487 0.713,488 0.95,489 1.052,490 0.915,491 0.737,492 1.075,493 0.731,494 0.968,495 0.68,496 0.95,497 1.038,498 1.183,499 0.882,500 0.936,501 0.876,502 0.908,503 1.012,504 1.23,505 0.961,506 1.022,507 0.836,508 0.994,509 1.112,510 1.213,511 0.913,512 0.982,513 1.008,514 1.032,515 0.961,516 0.957,517 0.889,518 0.897,519 0.972,520 0.958,521 0.827,522 0.89,523 1.157,524 1.054,525 0.759,526 0.987,527 1.21,528 0.872,529 1.476,530 1.149,531 1.176,532 1.093,533 6,534 0.231,535 2.889,536 2.375,537 1.729,538 0.965,539 0.77,540 0.495,541 0.419,542 0.218,543 12315,544 34975,545 2.012,546 45.6,547 3,548 14,551 5,552 2,554 2,555 1.74,556 1.879,557 3.516,558 2.413,564 92.504,565 1.623,566 3.901,567 4.894,568 5.315,569 5.364,570 5.364,571 2.889,572 4.761,573 4.927,574 3.695,575 1718.09,576 8.626,577 25032.2,579 1,582 332.475,583 1.418,584 4.881,585 0.182,586 0.008,587 0.066,588 0.051,589 0.038,590 0.021,591 0.018,592 0.012,593 0.011,594 0.006,595 0.413,597 1,598 1.159,599 161.617,600 -0.026,601 0.088,602 0.006,603 0.066,604 -0.162,605 0.044,606 0.107,607 0.062,608 0.066,609 0.037,610 0.084,611 0.027,612 -0.088,613 -0.12,614 0.049,615 0.033,616 -0.057,617 0.053,618 -0.008,619 -0.157,620 -0.03,621 -0.08,622 0.03,623 -0.054,624 -0.146,625 -0.095,626 -0.108,627 -0.09,628 -0.122,629 -0.124,630 -0.012,631 0.043,632 0.033,633 0.057,634 -0.047,635 0.008,636 0.146,637 0.037,638 0.092,639 -0.002,640 0.122,641 0.039,642 -0.04,643 0.064,644 -0.099,645 -0.055,646 -0.056,647 -0.063,648 1.521,649 3.215,650 0.581,651 31.136,652 1.004,653 1.137,654 3.933,655 15.467,656 0.666,657 3.526,658 3.807,659 4.043,660 4.29,661 4.489,662 4.511,663 4.575,664 4.625,665 4.663,666 4.654,667 7.137,668 0.631,669 440,670 3.526,671 5.043,672 5.872,673 6.735,674 7.584,675 8.456,676 9.314,677 10.19,678 11.054,679 11.933,680 12.3,684 2,687 1,690 2,692 2,695 8,696 2,700 8,702 18,711 2,717 1,718 57,719 19,720 2,721 33,723 59,724 22,725 16,726 4,727 8,729 3,730 3,731 1,734 2,739 2,741 16,742 6,744 1,750 2,757 26,758 8,759 5,760 9,761 1,764 7,769 1,770 1,771 1,776 1,781 3,800 1,802 3,806 1,807 1,810 31,811 2,815 1,816 5,821 1,828 1,829 1.8,830 1,836 16.5,837 10.176,838 7.111,839 3.388,840 3.705,841 1.506,842 0.952,843 8.18,844 11.031,845 3.784,846 4.35,847 4.907,848 5.471,849 6.003,850 6.21,851 6.549,852 6.9,853 7.239,854 7.506,855 0.875,856 47,857 11.381,859 4.669,860 7.789,861 21.561,863 16.984,865 2.289,866 70.944,869 1,870 247.193,871 116.713,872 135.571,873 39.149,874 42.683,877 116.713,878 329.025,879 135.571,880 8.825,881 12.282,882 184.288,883 33.571,884 18.571,885 37.431,886 247.193,887 39.149,888 247.193,889 252.284,890 42.683,891 39.149,893 223.651,894 23.542,895 42.683,897 25.763,898 159.746,899 105.923,901 247.193,902 178.254,903 155.862,906 247.193,907 32.078,908 87.637,910 214.401,911 247.193,912 178.254,913 155.862,915 0.564,916 0.328,917 0.182,918 0.103,919 18,920 9,921 0.153,922 9,924 1,925 4.153,926 267.356,928 18,929 149.58,933 22.947,934 11.051,935 6.138,937 178.254,938 15.35,939 8.394,943 4.767,945 108.478,946 581.309,947 43,953 8.757,956 57.2,957 64.794,958 0.278,959 0.669,960 0.839,961 0.911,962 0.92,963 0.92,964 4.994,965 1.56,966 5.838,967 4.932,968 4.489,969 5.037,970 0.623,971 6.616,972 4.399,973 6.186,974 1.483,975 7.375,976 3.963,977 4.007,978 4.745,980 7.469,981 3.835,982 7.475,983 1.329,984 9.013,985 3.07,986 6.043,987 7.196,988 0.317,989 10.572,990 5.878,991 8.802,992 1,993 10.713,994 2.614,995 6.382,996 7.72,998 12.291,999 6.147,1000 10.161,1001 0.671,1002 12.454,1003 2.136,1004 7.876,1005 9.64,1006 0.149,1007 14.919,1008 7.645,1009 11.543,1010 0.567,1011 14.225,1012 1.495,1013 8.616,1014 10.575,1016 17.023,1017 8.333,1018 12.945,1019 0.235,1020 16.019,1021 1.109,1022 9.885,1023 12.251,1024 0.067,1025 19.491,1026 9.596,1027 3.171,1028 0.132,1029 17.83,1030 0.395,1031 10.826,1032 13.409,1034 21.765,1035 10.499,1036 2.801,1037 11.076,1038 19.657,1039 0.262,1040 12.003,1041 14.961,1042 0.03,1043 24.182,1044 11.664,1045 2.649,1046 8.678,1047 21.496,1048 4.257,1049 13.042,1050 16.244,1052 26.528,1053 12.675,1054 2.275,1055 7.677,1056 23.346,1057 3.815,1058 14.185,1059 17.734,1060 0.013,1061 28.931,1062 13.802,1063 2.219,1064 6.621,1065 25.205,1066 3.458,1067 15.273,1068 19.084,1070 31.308,1071 14.867,1072 1.985,1073 6.1,1074 27.072,1075 3.012,1076 16.407,1077 20.544,1078 0.006,1079 33.708,1080 15.983,1081 1.733,1082 5.702,1083 28.945,1084 2.621,1085 17.52,1086 21.933,1088 36.099,1089 17.075,1090 12148,1091 20638,1092 21.671,1093 37.966,1094 48.057,1095 48.533,1096 49.883,1097 47.79,1098 47.622,1099 62.089,1100 1.315,1101 131.66,1102 45.293,1103 5.405,1104 5.278,1105 6.633,1106 5.216,1107 5.171,1108 7.257,1109 1.315,1110 17.964,1111 5.094,1112 16.636,1113 1.456,1114 1.471,1115 1.512,1116 1.448,1117 1.443,1118 1.881,1119 0.04,1120 3.99,1121 1.373,1122 4.02,1123 4.055,1124 4.057,1125 3.939,1126 6.456,1127 3.943,1128 3.915,1129 3.952,1130 3.843,1131 3.848,1132 5.287,1133 3.842,1134 3.767,1135 3.815,1136 3.824,1137 3.629,1138 5.04,1139 3.643,1140 3.65,1141 3.714,1142 3.529,1143 3.466,1144 4.975,1145 3.465,1146 3.392,1147 3.485,1148 3.296,1149 3.194,1150 4.768,1151 3.185,1152 3.325,1153 3.404,1154 3.206,1155 3.081,1156 4.687,1157 3.093,1158 3.112,1159 3.217,1160 3.202,1161 2.899,1162 4.465,1163 2.916,1164 3.004,1165 3.086,1166 2.939,1167 2.808,1168 4.223,1169 2.817,1170 0.137,1171 0.099,1172 0.205,1173 0.126,1174 0.096,1175 4.535,1176 0.129,1177 3.278,1178 0.02,1179 6.77,1180 0.336,1181 4.146,1182 0.094,1183 3.171,1184 4.257,1185 0.657,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.045,1191 2.065,1192 1.225,1193 2.055,1194 1.911,1195 1.88,1196 2.022,1197 2.011,1198 1.188,1199 2.021,1200 1.708,1201 1.664,1202 1.878,1203 1.878,1204 1.107,1205 1.875,1206 1.622,1207 1.556,1208 1.848,1209 1.823,1210 1.004,1211 1.836,1212 1.382,1213 1.297,1214 1.615,1215 1.633,1216 0.691,1217 1.653,1218 1.254,1219 1.179,1220 1.509,1221 1.541,1222 0.596,1223 1.528,1224 1.015,1225 0.942,1226 1.267,1227 1.372,1228 0.415,1229 1.355,1230 0.95,1231 0.88,1232 1.241,1233 1.197,1234 0.218,1235 1.205,1236 4.205,1238 5.493,1240 6.98,1242 8.565,1244 10.202,1246 1.976,1247 6.376,1250 11.871,1251 9.215,1252 2.44,1257 1.798,1262 35.96,1263 92.504,1264 222.369,1265 278.965,1266 302.965,1267 305.72,1268 305.72,1269 62.862,1270 7.326,1271 126.01,1272 126.01,1273 18,1274 12.473,1275 4.322,1276 3.459,1277 58.035,1278 132,1279 126,1280 0.21,1281 230.237,1282 393.98,1283 553.538,1284 14975,1285 1.8,1286 22.217,1287 0.717,1288 0.585,1289 22.717,1290 18.126,1291 15.012,1292 0.455,1293 0.316,1294 9.95,1295 14.2,1296 9.682,1297 8.076,1298 15.3,1299 10.424,1300 12.935,1301 0.294,1302 0.167,1303 13.306,1304 7.356,1305 10.455,1306 0.187,1307 0.089,1308 10.835,1309 4.98,1310 8.735,1311 0.121,1312 0.046,1313 8.97,1314 3.331,1315 6.952,1316 0.079,1317 0.025,1318 7.194,1319 2.222,1320 0.331,1321 96.866,1322 0.215,1323 29.157,1324 0.573,1325 154,1326 445.203,1327 182.92,1328 470.488,1329 634.76,1330 438,1331 177,1332 450.809,1333 202.383,1334 467.105,1335 674.72,1336 439,1337 5.134}
{0 CHEMBL87013,1 1.637,2 14.026,3 6.222,4 38.711,5 154.509,6 8.032,7 0.585,8 4.282,9 4.406,10 3.904,11 3.831,12 5.467,13 3.814,14 4.763,15 4.928,16 4.243,17 4.187,18 5.933,19 4.146,20 5.001,21 5.204,22 4.347,23 4.3,24 6.109,25 4.247,26 5.041,27 5.244,28 4.313,29 4.258,30 6.207,31 4.209,32 5.072,33 5.285,34 4.28,35 4.269,36 6.211,37 4.217,38 5.129,39 5.367,40 4.307,41 4.331,42 6.184,43 4.237,44 5.144,45 5.388,46 4.371,47 4.317,48 6.224,49 4.218,50 5.005,51 5.217,52 4.327,53 4.271,54 6.12,55 4.19,56 0.114,57 0.995,58 12.06,59 5.528,60 16.22,61 7.063,62 0.378,63 1.505,64 22.63,65 9.293,66 38.786,67 12.148,68 0.429,69 1.801,70 33.073,71 10.97,72 47.989,73 14.901,74 0.552,75 1.84,76 35.376,77 11.019,78 73.15,79 14.717,80 0.676,81 1.927,82 34.81,83 10.31,84 78,85 13.998,86 0.531,87 1.972,88 39.065,89 12.914,90 73.922,91 17.995,92 0.732,93 1.839,94 47.824,95 13.867,96 89.697,97 19.044,98 0.619,99 1.647,100 41.621,101 12.308,102 63.115,103 15.986,104 27,105 55,106 0.257,107 0.589,108 0.732,109 0.832,110 0.866,111 0.87,112 3.668,113 0.912,114 -6.17,115 -6.01,116 -5.59,119 42.4,120 1,121 1,125 3,139 13,140 4,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 17,169 3,170 7,172 3,173 3,175 1,178 18,180 1,181 1,182 14,187 1,189 12,191 1,192 1,193 20,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 2,207 17,212 4,215 4,218 4,220 3,221 11,223 1,224 1,226 2,229 2,231 2,233 3,234 14,236 1,237 1,239 2,241 7,243 2,245 2,246 13,248 2,249 2,254 15,260 9,262 1,263 1,265 1,268 20,270 1,273 3148,274 25.783,275 25.783,276 25.783,277 25.783,278 25.783,279 22.517,280 26.463,281 15.498,282 26.295,283 20.187,284 20.187,285 20.187,286 20.187,287 20.187,288 15.304,289 31.934,290 7.3,291 21.046,292 4.407,293 2.288,294 1.381,295 0.743,296 0.527,297 0.496,298 4.361,299 1,303 1135,304 4.183,307 588.122,314 1.924,315 37.756,318 0.5,319 0.33,320 0.67,321 0.5,323 0.67,324 0.5,325 0.45,326 81.833,327 533,328 4.535,329 3.658,330 6.77,331 4.146,332 3.171,333 4.257,334 1.674,335 11.076,336 3.094,337 4.185,338 3.278,339 6.048,340 3.778,341 2.804,342 3.815,343 0.657,344 8.678,345 2.753,346 4.14,347 3.113,348 6.018,349 3.735,350 2.783,351 3.67,353 8.538,354 2.622,355 3.938,356 2.937,357 5.575,358 3.616,359 2.647,360 3.458,362 7.677,363 2.546,364 3.633,365 2.401,366 5.304,367 3.227,368 2.274,369 3.012,371 6.621,372 2.174,373 3.474,374 2.385,375 5.039,376 3.158,377 2.218,378 2.63,380 6.102,381 2.054,382 3.3,383 2.226,384 5.038,385 2.932,386 1.985,387 2.55,389 5.702,390 1.876,391 3.284,392 2.202,393 4.756,394 2.817,395 1.842,396 2.54,398 4.932,399 1.785,400 3.108,401 1.974,402 4.314,403 2.681,404 1.732,405 2.323,407 4.278,408 1.636,409 2.954,410 1.843,411 4.232,412 2.477,413 1.544,414 2.104,415 3.955,416 1.439,417 2.834,418 1.752,419 3.607,420 2.424,421 1.439,422 1.951,423 3.064,424 1.365,425 2.63,426 1.488,427 3.539,428 2.225,429 1.272,430 1.645,431 2.821,432 1.2,433 2.5,434 1.323,435 3.329,436 2,437 1,438 1.5,439 2.136,440 1,441 2.5,442 1,443 3.287,444 2,445 1,446 1.5,448 2.136,449 1,450 2.36,451 1,452 3.247,453 1.88,454 0.876,455 1.175,457 2.005,458 0.87,459 18.181,460 0.478,461 0.818,462 0.022,463 52.25,464 1.375,465 28.5,466 0.75,467 23.75,468 0.625,469 32.59,470 0.858,471 40.019,472 0.606,473 44.62,474 1.174,475 10.561,476 0.278,477 7.879,478 0.207,479 0.129,481 0.297,485 0.757,486 1.115,487 0.672,488 0.945,489 0.8,490 0.881,491 0.712,492 1.029,493 0.732,494 0.955,495 0.539,496 0.933,497 1.029,498 1.158,499 0.904,500 0.987,501 0.835,502 0.946,503 1.282,504 1.241,505 1.024,506 1.091,507 1.252,508 1.045,509 1.42,510 1.156,511 0.991,512 0.951,513 1.413,514 1.018,515 0.911,516 1.068,517 0.903,518 0.982,519 0.862,520 1.006,521 1.012,522 0.897,523 1.138,524 0.967,525 0.858,526 0.914,527 1.219,528 0.856,529 1.387,530 1.024,531 0.926,532 0.957,533 7,534 0.314,535 3.778,536 2.813,537 1.84,538 1.118,539 0.871,540 0.569,541 0.498,542 0.338,543 23189,544 66211,545 2.053,546 42.4,547 3,548 19,551 4,552 2,555 1.792,556 1.932,557 3.743,558 1.475,564 108.067,565 1.637,566 3.756,567 4.664,568 5.302,569 5.518,570 5.548,571 3.169,572 4.827,573 5.221,574 3.941,575 2770.32,576 9.22,577 47972.1,582 398.93,583 1.359,584 5.183,585 0.171,586 0.006,587 0.069,588 0.048,589 0.033,590 0.021,591 0.017,592 0.011,593 0.01,594 0.006,595 0.392,597 0.63,598 0.661,599 212.556,600 0.004,601 0.071,602 0.02,603 0.025,604 -0.111,605 0.031,606 0.185,607 0.066,608 0.06,609 0.02,610 0.152,611 0.008,612 -0.042,613 -0.104,614 0.026,615 -0.027,616 -0.017,617 0.001,618 -0.074,619 -0.199,620 -0.076,621 -0.154,622 -0.042,623 -0.122,624 -0.194,625 -0.073,626 -0.146,627 -0.062,628 -0.223,629 -0.129,630 0.008,631 -0.062,632 0.04,633 -0.026,634 -0.015,635 -0.033,636 0.1,637 0.034,638 0.118,639 0.051,640 0.098,641 0.096,642 -0.014,643 0.112,644 -0.038,645 0.016,646 0.004,647 0.034,648 2.062,649 5.341,650 0.632,651 44.825,652 1.006,653 1.128,654 4.941,655 24.416,656 0.685,657 3.738,658 4.025,659 4.263,660 4.489,661 4.673,662 4.673,663 4.745,664 4.804,665 4.883,666 4.934,667 8.453,668 0.655,669 530.08,670 3.738,671 5.263,672 6.094,673 6.952,674 7.798,675 8.662,676 9.514,677 10.382,678 11.239,679 12.109,680 10.6,684 2,687 1,690 2,692 2,695 13,696 2,700 9,702 24,710 1,711 2,717 1,718 66,719 26,720 3,721 41,723 69,724 28,725 22,726 5,727 13,728 1,729 4,730 4,731 1,734 1,739 1,741 23,742 5,744 2,748 1,750 2,751 1,757 28,758 9,759 4,760 10,761 1,764 7,769 1,770 2,776 1,781 4,802 4,806 1,807 1,810 38,811 2,816 4,818 1,821 1,828 1,829 3,832 1,834 1,836 19.667,837 11.976,838 8.556,839 3.878,840 3.864,841 1.496,842 0.981,843 9.387,844 11.65,845 4.025,846 4.595,847 5.147,848 5.684,849 6.197,850 6.334,851 6.66,852 6.964,853 7.307,854 7.593,855 1,856 58,857 13.983,859 5.818,860 7.797,861 26.334,863 20.823,865 2.297,866 87.278,870 282.506,871 176.529,872 135.571,873 39.149,874 36.145,877 176.529,878 357.8,879 135.571,880 8.825,881 14.34,882 188.986,883 65.907,884 32.756,885 37.431,886 282.506,887 39.149,888 282.506,889 312.1,890 36.145,891 39.149,893 282.506,894 36.145,897 27.821,898 217.504,899 105.923,901 282.506,902 171.716,903 215.678,906 282.506,907 44.513,908 135.018,910 207.862,911 282.506,912 171.716,913 215.678,915 0.571,916 0.333,917 0.181,918 0.097,919 23,920 11,921 0.159,922 11,924 1,925 4.806,926 355.72,928 24,929 191.421,933 27.21,934 13.11,935 7.367,937 171.716,938 24.002,939 8.431,943 4.957,945 65.794,946 669.9,947 55,951 12.341,953 8.853,954 -0.395,956 66.411,957 74.418,958 0.271,959 0.621,960 0.772,961 0.877,962 0.913,963 0.918,964 5.236,965 1.842,966 6.057,967 5.702,968 4.71,969 5.283,970 2.011,971 6.825,972 4.63,973 6.43,974 1.732,975 7.589,976 4.932,977 4.205,978 4.945,980 7.656,981 4.061,982 7.717,983 1.544,984 9.223,985 4.278,986 6.26,987 7.431,988 2.839,989 10.749,990 6.114,991 9.039,992 1.439,993 10.918,994 3.955,995 6.581,996 7.909,998 12.447,999 6.382,1000 10.393,1001 1.272,1002 12.654,1003 3.064,1004 8.084,1005 9.852,1006 3.812,1007 15.057,1008 7.881,1009 11.769,1010 1,1011 14.419,1012 2.821,1013 8.805,1014 10.744,1016 17.138,1017 8.56,1018 13.165,1019 1,1020 16.206,1021 2.136,1022 10.076,1023 12.434,1024 4.825,1025 19.589,1026 9.821,1027 3.171,1028 0.876,1029 18.011,1030 2.136,1031 10.998,1032 13.555,1034 21.844,1035 10.71,1036 2.804,1037 11.076,1038 19.829,1039 2.005,1040 12.171,1041 15.114,1042 5.851,1043 24.246,1044 11.869,1045 2.783,1046 8.678,1047 21.66,1048 4.257,1049 13.193,1050 16.366,1052 26.579,1053 12.864,1054 2.647,1055 8.538,1056 23.501,1057 3.815,1058 14.329,1059 17.857,1060 6.88,1061 28.971,1062 13.982,1063 2.274,1064 7.677,1065 25.35,1066 3.67,1067 15.403,1068 19.184,1070 31.34,1071 15.031,1072 2.218,1073 6.621,1074 27.207,1075 3.458,1076 16.528,1077 20.642,1078 7.91,1079 33.733,1080 16.136,1081 1.985,1082 6.102,1083 29.07,1084 3.012,1085 17.628,1086 22.014,1088 36.119,1089 17.214,1090 22201,1091 37733,1092 27.334,1093 45.182,1094 60.701,1095 61.653,1096 61.765,1097 59.956,1098 59.754,1099 79.434,1100 4.663,1101 164.924,1102 57.248,1103 5.468,1104 5.658,1105 6.572,1106 5.216,1107 5.171,1108 7.257,1109 3.349,1110 17.964,1111 5.094,1112 19.043,1113 1.481,1114 1.504,1115 1.506,1116 1.462,1117 1.457,1118 1.937,1119 0.114,1120 4.023,1121 1.396,1122 4.024,1123 4.059,1124 4.058,1125 3.942,1126 7.433,1127 3.946,1128 3.927,1129 3.958,1130 3.867,1131 3.856,1132 5.287,1133 3.852,1134 3.897,1135 3.925,1136 3.832,1137 3.834,1138 5.041,1139 3.829,1140 3.766,1141 3.814,1142 3.821,1143 3.629,1144 4.975,1145 3.643,1146 3.6,1147 3.662,1148 3.505,1149 3.375,1150 4.774,1151 3.393,1152 3.392,1153 3.485,1154 3.297,1155 3.193,1156 4.732,1157 3.185,1158 3.311,1159 3.345,1160 3.25,1161 3.061,1162 4.689,1163 3.094,1164 3.115,1165 3.217,1166 3.204,1167 2.906,1168 4.465,1169 2.918,1170 0.111,1171 0.089,1172 0.165,1173 0.101,1174 0.077,1175 4.535,1176 0.104,1177 3.658,1178 0.041,1179 6.77,1180 0.27,1181 4.146,1182 0.075,1183 3.171,1184 4.257,1185 1.674,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.043,1191 2.065,1192 1.192,1193 2.055,1194 1.911,1195 1.881,1196 2.022,1197 2.013,1198 1.181,1199 2.021,1200 1.896,1201 1.873,1202 2.014,1203 1.985,1204 1.073,1205 1.995,1206 1.707,1207 1.664,1208 1.852,1209 1.872,1210 1.009,1211 1.863,1212 1.537,1213 1.472,1214 1.771,1215 1.775,1216 1,1217 1.777,1218 1.381,1219 1.296,1220 1.615,1221 1.633,1222 0.635,1223 1.652,1224 1.197,1225 1.156,1226 1.443,1227 1.48,1228 0.596,1229 1.451,1230 1.032,1231 0.991,1232 1.267,1233 1.372,1234 0.245,1235 1.355,1236 4.419,1238 5.714,1240 7.203,1242 8.781,1244 10.407,1246 1.966,1247 6.456,1250 11.958,1252 1.543,1254 5.451,1257 1.717,1262 43.202,1263 108.067,1264 247.91,1265 307.805,1266 349.91,1267 364.175,1268 366.175,1269 78.077,1270 7.787,1271 132.08,1272 132.08,1273 24,1274 12.655,1275 4.755,1276 3.907,1277 67.313,1278 191,1279 198,1280 0.163,1281 272.684,1282 472.75,1283 657.11,1284 27621,1285 1.5,1286 26.907,1287 0.708,1288 0.57,1289 27.407,1290 21.675,1291 18.44,1292 0.45,1293 0.304,1294 11.966,1295 17.52,1296 11.659,1297 9.708,1298 18.729,1299 12.465,1300 16.099,1301 0.293,1302 0.16,1303 16.47,1304 8.781,1305 13.216,1306 0.189,1307 0.086,1308 13.596,1309 5.997,1310 10.91,1311 0.124,1312 0.045,1313 11.145,1314 3.979,1315 8.53,1316 0.08,1317 0.025,1318 8.773,1319 2.631,1320 0.26,1321 118.215,1322 0.191,1323 34.692,1324 0.439,1325 192,1326 580.524,1327 225.349,1328 598.872,1329 809.65,1330 558,1331 221,1332 580.385,1333 250.757,1334 596.963,1335 864.12,1336 561,1337 6.161}
{0 CHEMBL87383,1 1.735,2 13.487,3 4.508,4 20.325,5 153.726,6 7.861,7 0.439,8 4.358,9 4.478,10 3.949,11 3.792,12 5.55,13 3.799,14 4.865,15 5.046,16 4.285,17 4.126,18 6.02,19 4.12,20 5.012,21 5.179,22 4.437,23 4.288,24 6.177,25 4.276,26 5.122,27 5.299,28 4.463,29 4.369,30 6.277,31 4.336,32 5.298,33 5.505,34 4.411,35 4.427,36 6.378,37 4.37,38 5.327,39 5.564,40 4.417,41 4.454,42 6.356,43 4.354,44 5.349,45 5.615,46 4.463,47 4.4,48 6.38,49 4.299,50 5.173,51 5.393,52 4.416,53 4.324,54 6.278,55 4.252,56 0.194,57 1.021,58 14.091,59 6.026,60 18.595,61 7.755,62 0.738,63 1.464,64 28.918,65 9.547,66 57.376,67 12.591,68 0.895,69 1.736,70 33.863,71 10.071,72 64.631,73 13.865,74 0.744,75 1.954,76 37.033,77 11.709,78 65.945,79 16.522,80 1.252,81 2.148,82 45.81,83 12.655,84 95.775,85 18.3,86 1.022,87 2.147,88 48.902,89 14.961,90 90.057,91 21.939,92 1.301,93 1.95,94 60.341,95 15.337,96 117.927,97 22.843,98 1.216,99 1.723,100 50.15,101 13.245,102 88.317,103 18.167,104 110,105 56,106 0.271,107 0.612,108 0.788,109 0.824,110 0.83,111 0.848,112 3.693,113 0.906,114 -3.82,115 -3.78,116 -3.59,119 36.6,120 2,121 1,124 3,125 3,139 5,140 3,141 5,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 7,169 3,170 9,172 3,173 3,175 1,178 7,180 1,181 3,182 14,187 1,189 6,191 1,192 2,193 17,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 4,207 12,212 4,215 4,218 4,220 6,221 6,223 1,224 1,226 2,229 2,231 2,233 6,234 7,236 1,237 1,239 2,241 7,243 2,245 5,246 7,248 2,249 2,254 11,259 1,260 6,262 1,263 1,265 1,268 5,270 1,273 3272,274 26.066,275 26.066,276 26.066,277 26.066,278 26.066,279 23.461,280 36.292,281 15.231,282 27.087,283 19.957,284 19.957,285 19.957,286 19.957,287 19.957,288 15.737,289 45.454,290 6.856,291 21.352,292 4.415,293 2.236,294 1.115,295 0.884,296 0.846,297 0.729,298 4.371,299 1,303 1082,304 4.637,307 447.118,314 1.834,315 46.537,318 0.5,319 0.5,320 0.5,321 0.8,322 1,323 0.33,325 0.52,326 86.833,327 526,328 4.535,329 3.627,330 6.77,331 4.146,332 3.171,333 4.257,334 2.443,335 11.076,336 3.094,337 4.422,338 3.382,339 6.524,340 4.014,341 3.066,342 4.105,343 0.86,344 10.263,345 2.903,346 4.184,347 3.278,348 6.048,349 3.73,350 2.797,351 3.815,352 0.86,353 8.677,354 2.589,355 3.723,356 3.112,357 5.548,358 3.497,359 2.551,360 3.02,361 0.86,362 7.568,363 2.404,364 3.615,365 2.875,366 5.304,367 3.186,368 2.259,369 2.94,370 0.657,371 6.619,372 2.115,373 3.546,374 2.555,375 5.19,376 3.185,377 2.221,378 2.713,379 0.286,380 6.118,381 2.085,382 3.355,383 2.385,384 5.038,385 2.996,386 2.061,387 2.604,389 5.99,390 1.949,391 3.341,392 2.311,393 5.022,394 2.972,395 2.026,396 2.552,398 5.702,399 1.875,400 3.299,401 2.226,402 4.756,403 2.932,404 1.984,405 2.517,407 5.147,408 1.867,409 3.103,410 1.978,411 4.647,412 2.679,413 1.732,414 2.311,415 4.931,416 1.633,417 2.906,418 1.949,419 4.233,420 2.457,421 1.532,422 2.019,423 3.956,424 1.364,425 2.392,426 1.843,427 3.783,428 2.051,429 1.16,430 1.256,431 2.452,432 1.032,433 2.213,434 1.709,435 3.341,436 1.965,437 1.07,438 1.195,439 2.275,440 0.938,441 1.994,442 1.031,443 3.327,444 1.575,445 0.629,446 0.822,448 1.425,449 0.578,450 1.747,451 0.916,452 3.125,453 1.531,454 0.557,455 0.642,457 1.103,458 0.539,459 18.181,460 0.466,461 0.975,462 0.025,463 49.25,464 1.263,465 24,466 0.615,467 25.25,468 0.647,469 38.676,470 0.992,471 44.219,472 0.623,473 45.679,474 1.171,475 10.212,476 0.262,477 8.484,478 0.218,479 0.239,481 0.352,485 0.85,486 1.379,487 0.695,488 1.187,489 0.826,490 1.017,491 1.087,492 0.92,493 0.7,494 0.766,495 0.658,496 0.729,497 1.117,498 1.187,499 0.95,500 0.934,501 1.079,502 0.913,503 0.887,504 1.421,505 0.981,506 1.258,507 0.814,508 1.166,509 1.248,510 1.149,511 1.027,512 0.977,513 1.103,514 1.086,515 0.765,516 1.138,517 0.911,518 1.07,519 0.721,520 1.108,521 0.793,522 0.821,523 0.989,524 0.868,525 0.74,526 0.835,527 1.008,528 0.801,529 1.284,530 0.959,531 0.887,532 0.93,533 9,534 0.487,535 4.222,536 3.563,537 2.502,538 1.597,539 1.056,540 0.682,541 0.584,542 0.509,543 22063,544 70886,545 1.951,546 45.1,547 3,548 20,551 4,552 5,555 1.799,556 1.786,557 3.668,558 1.529,564 123.159,565 1.735,566 3.914,567 5.035,568 5.265,569 5.304,570 5.421,571 3.004,572 4.907,573 5.26,574 3.884,575 2878.17,576 9.304,577 50057.5,582 436.632,583 1.539,584 5.189,585 0.22,586 0.009,587 0.075,588 0.057,589 0.039,590 0.027,591 0.019,592 0.012,593 0.011,594 0.009,595 0.477,596 0.17,597 0.63,598 1.41,599 218.487,600 -0.037,601 -0.083,602 0.03,603 -0.101,604 -0.106,605 -0.026,606 -0.011,607 0.17,608 0.159,609 0.239,610 0.132,611 0.238,612 -0.065,613 -0.034,614 -0.022,615 0.074,616 -0.127,617 0.036,618 -0.011,619 -0.262,620 -0.096,621 -0.241,622 -0.003,623 -0.193,624 -0.197,625 -0.072,626 -0.194,627 -0.046,628 -0.221,629 -0.157,630 0.029,631 -0.111,632 -0.011,633 -0.093,634 -0.005,635 -0.114,636 0.109,637 0.086,638 0.184,639 0.122,640 0.129,641 0.178,642 0.041,643 0.182,644 -0.015,645 0.078,646 0.013,647 0.067,648 2.064,649 4.331,650 0.462,651 44.043,652 1.016,653 1.139,654 2.586,655 6.689,656 0.649,657 3.738,658 4.043,659 4.29,660 4.543,661 4.727,662 4.796,663 4.86,664 4.905,665 4.956,666 5.004,667 8.258,668 0.625,669 558.1,670 3.738,671 5.273,672 6.111,673 6.987,674 7.846,675 8.728,676 9.594,677 10.478,678 11.349,679 12.235,680 9.9,684 2,687 1,690 2,692 2,695 5,696 2,700 11,702 18,711 2,716 3,717 1,718 71,719 20,720 2,721 41,723 73,724 26,725 16,726 7,727 5,729 3,730 3,731 1,734 2,739 1,741 17,742 9,744 2,748 1,750 2,751 1,757 32,758 12,759 4,760 13,761 1,764 7,769 1,770 5,776 1,781 3,793 1,802 3,806 5,807 1,810 39,811 2,816 4,818 4,821 1,828 1,829 7,832 1,834 4,836 21.833,837 14.31,838 9,839 3.927,840 3.85,841 1.492,842 0.932,843 11.124,844 11.672,845 3.97,846 4.549,847 5.098,848 5.66,849 6.177,850 6.436,851 6.735,852 7.033,853 7.362,854 7.651,855 0.889,856 63,857 14.319,859 5.806,860 7.887,861 26.658,863 20.347,865 2.387,866 93.111,870 329.591,871 154.739,872 135.571,873 39.149,874 69.144,877 154.739,878 437.884,879 135.571,880 50.3,881 14.34,882 113.176,883 65.907,884 78.301,885 37.431,886 329.591,887 39.149,888 329.591,889 290.309,890 69.144,891 39.149,893 329.591,894 69.144,897 36.646,898 186.888,899 105.923,901 329.591,902 204.715,903 193.887,906 329.591,907 57.058,908 100.683,910 240.862,911 329.591,912 204.715,913 193.887,915 0.57,916 0.339,917 0.188,918 0.101,919 22,920 13,921 0.178,922 13,924 1,925 4.624,926 369.896,928 18,929 198.131,933 30.374,934 14.283,935 7.924,937 204.715,938 8.863,939 8.41,943 5.482,945 65.794,946 728.193,947 52,951 11.331,953 8.794,954 -0.398,956 72.16,957 80.877,958 0.282,959 0.636,960 0.819,961 0.856,962 0.862,963 0.881,964 5.207,965 2.026,966 6.103,967 5.99,968 4.727,969 5.236,970 2.794,971 6.913,972 4.605,973 6.416,974 1.984,975 7.666,976 5.702,977 4.369,978 5.121,979 2.243,980 7.842,981 4.197,982 7.727,983 1.732,984 9.327,985 5.147,986 6.323,987 7.422,988 3.917,989 10.923,990 6.109,991 9.073,992 1.532,993 11.045,994 4.931,995 6.746,996 8.082,997 4.269,998 12.67,999 6.482,1000 10.447,1001 1.16,1002 12.8,1003 3.956,1004 8.188,1005 9.898,1006 5.497,1007 15.291,1008 7.896,1009 11.843,1010 1.07,1011 14.581,1012 2.452,1013 8.981,1014 10.929,1015 6.158,1016 17.398,1017 8.643,1018 13.256,1019 0.629,1020 16.383,1021 2.275,1022 10.225,1023 12.543,1024 7.21,1025 19.86,1026 9.863,1027 3.171,1028 0.557,1029 18.201,1030 1.425,1031 11.197,1032 13.766,1033 7.992,1034 22.124,1035 10.795,1036 3.066,1037 11.076,1038 20.032,1039 1.103,1040 12.363,1041 15.284,1042 8.963,1043 24.53,1044 11.937,1045 2.797,1046 10.263,1047 21.875,1048 4.257,1049 13.42,1050 16.605,1051 9.802,1052 26.86,1053 12.959,1054 2.551,1055 8.677,1056 23.726,1057 4.105,1058 14.559,1059 18.077,1060 10.734,1061 29.249,1062 14.074,1063 2.259,1064 7.568,1065 25.585,1066 3.815,1067 15.655,1068 19.449,1069 11.599,1070 31.609,1071 15.14,1072 2.221,1073 6.619,1074 27.451,1075 3.02,1076 16.786,1077 20.899,1078 12.512,1079 33.994,1080 16.246,1081 2.061,1082 6.118,1083 29.322,1084 2.94,1085 17.902,1086 22.298,1087 13.391,1088 36.368,1089 17.334,1090 22046,1091 39701,1092 26.065,1093 46.068,1094 59.861,1095 61.699,1096 63.659,1097 59.367,1098 59.371,1099 75.476,1100 11.932,1101 169.231,1102 55.406,1103 5.445,1104 5.627,1105 6.326,1106 5.216,1107 5.171,1108 7.257,1109 4.174,1110 17.996,1111 5.094,1112 26.321,1113 1.46,1114 1.505,1115 1.553,1116 1.448,1117 1.448,1118 1.841,1119 0.291,1120 4.128,1121 1.351,1122 4.025,1123 4.058,1124 4.059,1125 3.941,1126 7.434,1127 3.945,1128 3.945,1129 3.962,1130 3.911,1131 3.851,1132 5.288,1133 3.861,1134 3.768,1135 3.816,1136 3.824,1137 3.629,1138 5.046,1139 3.643,1140 3.66,1141 3.7,1142 3.576,1143 3.414,1144 4.977,1145 3.441,1146 3.477,1147 3.524,1148 3.399,1149 3.222,1150 4.961,1151 3.248,1152 3.392,1153 3.485,1154 3.288,1155 3.193,1156 4.718,1157 3.185,1158 3.303,1159 3.355,1160 3.204,1161 3.034,1162 4.58,1163 3.036,1164 3.261,1165 3.325,1166 3.144,1167 3.006,1168 4.466,1169 3.026,1170 0.111,1171 0.088,1172 0.165,1173 0.101,1174 0.077,1175 4.535,1176 0.104,1177 3.627,1178 0.06,1179 6.77,1180 0.27,1181 4.146,1182 0.075,1183 3.171,1184 4.257,1185 2.443,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.024,1191 2.066,1192 1.193,1193 2.054,1194 1.896,1195 1.883,1196 1.986,1197 2.022,1198 1.184,1199 2.009,1200 1.707,1201 1.664,1202 1.851,1203 1.882,1204 1.015,1205 1.866,1206 1.565,1207 1.517,1208 1.789,1209 1.82,1210 1.002,1211 1.81,1212 1.389,1213 1.333,1214 1.664,1215 1.666,1216 0.697,1217 1.66,1218 1.379,1219 1.296,1220 1.614,1221 1.632,1222 0.649,1223 1.649,1224 1.227,1225 1.163,1226 1.59,1227 1.558,1228 0.596,1229 1.565,1230 1.226,1231 1.16,1232 1.577,1233 1.516,1234 0.584,1235 1.536,1236 4.419,1238 5.727,1240 7.229,1242 8.83,1244 10.485,1246 7.901,1247 6.453,1250 11.951,1252 1.253,1254 21.44,1257 1.63,1262 44.4,1263 123.159,1264 277.861,1265 357.474,1266 373.838,1267 376.593,1268 384.858,1269 100.427,1270 7.822,1271 159.77,1272 159.77,1273 18,1274 12.77,1275 4.392,1276 3.585,1277 83.454,1278 192,1279 178,1280 0.205,1281 281.664,1282 495.7,1283 679.02,1284 27811,1285 1.4,1286 28.526,1287 0.731,1288 0.597,1289 29.026,1290 23.281,1291 18.697,1292 0.456,1293 0.302,1294 11.761,1295 17.299,1296 11.307,1297 9.477,1298 18.985,1299 12.386,1300 16.36,1301 0.292,1302 0.155,1303 16.731,1304 8.667,1305 13.162,1306 0.183,1307 0.083,1308 13.542,1309 5.942,1310 11.12,1311 0.12,1312 0.043,1313 11.354,1314 4.016,1315 8.614,1316 0.077,1317 0.024,1318 8.857,1319 2.665,1320 0.323,1321 123.101,1322 0.196,1323 35.065,1324 0.557,1325 194,1326 687.731,1327 235.984,1328 674.469,1329 899.47,1330 630,1331 225,1332 632.021,1333 262.951,1334 644.936,1335 931.2,1336 599,1337 6.347}
{0 CHEMBL87423,1 1.881,2 13.459,3 5.5,4 30.248,5 140.31,6 8.645,7 0.462,8 4.233,9 4.356,10 3.893,11 3.711,12 5.478,13 3.725,14 4.754,15 4.923,16 4.319,17 4.062,18 6.348,19 4.064,20 4.941,21 5.13,22 4.357,23 4.196,24 6.197,25 4.182,26 5.018,27 5.22,28 4.343,29 4.201,30 6.323,31 4.18,32 5.077,33 5.307,34 4.267,35 4.207,36 6.27,37 4.167,38 5.071,39 5.312,40 4.303,41 4.244,42 6.175,43 4.171,44 5.11,45 5.347,46 4.373,47 4.228,48 6.324,49 4.154,50 4.958,51 5.163,52 4.353,53 4.175,54 6.236,55 4.12,56 0.271,57 1.129,58 9.914,59 5.314,60 38.462,61 6.152,62 1.152,63 1.992,64 22.408,65 8.918,66 163.691,67 10.76,68 0.896,69 1.892,70 29.369,71 9.631,72 84.27,73 12.174,74 1.026,75 2.059,76 32.76,77 10.483,78 118.673,79 13.087,80 1.186,81 1.944,82 35.09,83 10.02,84 137.708,85 13.545,86 0.911,87 1.782,88 35.884,89 11.525,90 103.57,91 16.332,92 1.433,93 1.731,94 46.771,95 12.417,96 152.838,97 16.564,98 1.098,99 1.66,100 39.388,101 11.513,102 109.821,103 14.481,104 94,105 55,106 0.302,107 0.662,108 0.806,109 0.857,110 0.867,111 0.867,112 3.642,113 0.887,114 -5.89,115 -5.74,116 -5.35,119 38.7,120 2,121 1,125 3,131 1,139 7,140 4,141 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 11,169 3,170 7,172 3,173 3,175 1,178 12,180 1,181 1,182 10,187 1,189 9,191 1,192 1,193 16,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 2,207 15,212 4,215 4,218 4,220 3,221 9,223 1,224 1,226 2,229 2,231 2,233 3,234 10,236 1,237 1,239 2,241 7,243 2,245 2,246 8,248 2,249 2,254 13,260 6,262 1,263 1,265 1,268 14,270 1,273 2869,274 23.927,275 23.927,276 23.927,277 23.927,278 23.927,279 21.362,280 30.595,281 13.924,282 24.69,283 19.167,284 19.167,285 19.167,286 19.167,287 19.167,288 15.215,289 35.664,290 6.531,291 20.519,292 4.073,293 1.828,294 0.934,295 0.617,296 0.553,297 0.553,298 4.317,299 1,303 1028,304 4.848,307 425.368,314 1.907,315 62.219,318 0.5,319 0.33,320 0.67,321 0.9,322 0.5,323 0.83,324 1,325 0.68,326 84.333,327 498,328 4.535,329 4.46,330 7.111,331 4.171,332 3.314,333 4.257,334 3.825,335 11.657,336 3.094,337 4.439,338 3.627,339 6.77,340 4.146,341 3.171,342 3.836,343 2.443,344 11.076,345 2.883,346 4.184,347 3.278,348 6.048,349 3.735,350 2.801,351 3.814,352 0.657,353 8.678,354 2.6,355 3.877,356 3.113,357 5.578,358 3.596,359 2.639,360 3.187,361 0.286,362 7.687,363 2.499,364 3.631,365 2.94,366 5.304,367 3.237,368 2.284,369 3.01,371 6.622,372 2.159,373 3.559,374 2.431,375 5.067,376 3.186,377 2.252,378 2.719,380 6.181,381 2.096,382 3.435,383 2.385,384 5.038,385 3.108,386 2.148,387 2.581,389 5.702,390 2.025,391 3.3,392 2.226,393 4.756,394 2.932,395 1.985,396 2.546,398 5.153,399 1.876,400 3.107,401 1.983,402 4.65,403 2.681,404 1.733,405 2.319,407 4.932,408 1.635,409 2.959,410 1.951,411 4.559,412 2.517,413 1.593,414 2.083,415 4.624,416 1.424,417 2.858,418 1.842,419 4.232,420 2.448,421 1.519,422 1.957,423 3.951,424 1.36,425 2.5,426 1.699,427 3.414,428 2.038,429 1.079,430 1.5,431 2.316,432 1.023,433 2.39,434 1,435 3.341,436 2,437 1,438 1.256,439 2.275,440 1,441 2.016,442 0.845,443 3.327,444 1.581,445 0.63,446 0.834,448 1.461,449 0.583,450 1.747,451 0.717,452 3.169,453 1.533,454 0.557,455 0.642,457 1.107,458 0.54,459 17.038,460 0.46,461 1.199,462 0.032,463 46,464 1.243,465 22.5,466 0.608,467 23.5,468 0.635,469 34.96,470 0.945,471 41.762,472 0.674,473 43.063,474 1.164,475 9.408,476 0.254,477 8.065,478 0.218,479 0.217,480 0.029,481 0.317,482 3,485 0.647,486 1.054,487 0.619,488 1.031,489 0.671,490 0.926,491 0.506,492 0.803,493 0.609,494 0.893,495 0.376,496 0.865,497 0.883,498 1.01,499 0.904,500 0.949,501 0.694,502 0.945,503 0.983,504 1.203,505 1.032,506 1.152,507 0.922,508 1.132,509 0.924,510 0.944,511 0.934,512 0.907,513 0.853,514 1.021,515 0.524,516 0.785,517 0.795,518 0.954,519 0.421,520 1.005,521 0.815,522 0.658,523 1.169,524 0.926,525 0.771,526 0.956,527 0.755,528 0.677,529 1.287,530 1.052,531 0.607,532 0.997,533 10,534 0.421,535 4.444,536 3.063,537 2.04,538 1.431,539 0.933,540 0.745,541 0.633,542 0.409,543 19929,544 76952,545 1.942,546 40.3,547 3,548 13,551 4,552 5,555 1.785,556 1.769,557 3.678,558 1.579,564 116.618,565 1.881,566 4.126,567 5.02,568 5.337,569 5.402,570 5.402,571 3.068,572 4.703,573 5.182,574 3.909,575 2603.68,576 9.14,577 44055,582 369.16,583 1.68,584 5.102,585 0.256,586 0.009,587 0.081,588 0.054,589 0.037,590 0.028,591 0.018,592 0.015,593 0.012,594 0.008,595 0.519,597 0.75,598 1.353,599 205.1,600 -0.039,601 -0.014,602 0.007,603 -0.003,604 -0.118,605 0.018,606 0.366,607 0.253,608 0.176,609 0.113,610 0.426,611 0.093,612 -0.125,613 -0.136,614 -0.031,615 0.016,616 -0.05,617 0.011,618 -0.126,619 -0.193,620 -0.143,621 -0.186,622 -0.08,623 -0.181,624 -0.149,625 -0.059,626 -0.122,627 -0.012,628 -0.138,629 -0.08,630 0.031,631 -0.07,632 0.095,633 -0.014,634 0.028,635 0.014,636 0.037,637 0.136,638 0.04,639 0.08,640 -0.028,641 0.073,642 0.06,643 0.115,644 -0.01,645 0.006,646 0.043,647 0.036,648 5.689,649 4.891,650 0.486,651 43.528,652 1.031,653 1.152,654 4.657,655 21.691,656 0.661,657 3.689,658 4.025,659 4.205,660 4.419,661 4.615,662 4.71,663 4.762,664 4.82,665 4.868,666 4.89,667 8.279,668 0.651,669 536.01,670 3.689,671 5.242,672 6.066,673 6.944,674 7.789,675 8.67,676 9.525,677 10.408,678 11.267,679 12.152,680 11.3,684 2,687 1,690 2,692 2,695 7,696 2,700 9,702 18,711 2,717 1,718 62,719 20,720 2,721 39,723 64,724 24,725 16,726 5,727 7,729 3,730 3,731 1,734 3,738 1,739 1,741 17,742 7,744 2,748 1,750 2,751 1,755 3,757 25,758 12,759 4,760 13,761 1,764 7,769 1,770 2,776 1,781 3,793 1,802 3,806 2,807 1,808 3,810 37,811 2,816 4,818 1,821 1,822 1,828 4,829 3.2,832 1,834 1,836 20.917,837 11.655,838 8.111,839 3.569,840 3.795,841 1.493,842 0.957,843 9.439,844 11.494,845 3.932,846 4.516,847 5.022,848 5.564,849 6.098,850 6.356,851 6.668,852 6.974,853 7.316,854 7.592,855 0.889,856 57,857 14.064,859 6.314,860 8.271,861 24.753,863 19.412,865 2.771,866 102.528,870 247.193,871 136.257,872 135.571,873 39.149,874 36.145,875 44.88,877 136.257,878 322.487,879 180.451,880 17.65,881 14.34,882 132.128,883 65.907,884 77.637,885 37.431,886 247.193,887 46.908,888 247.193,889 271.827,890 81.025,891 39.149,893 247.193,894 81.025,897 44.406,898 160.647,899 105.923,901 292.073,902 171.716,903 175.405,906 254.953,907 44.513,908 86.986,910 252.743,911 247.193,912 216.596,913 175.405,915 0.588,916 0.322,917 0.163,918 0.089,919 23,920 13,921 0.156,922 10,924 1,925 4.541,926 340.004,928 18,929 183.995,933 28.327,934 12.33,935 7.866,937 216.596,938 9.704,939 8.289,943 2.582,945 65.794,946 639.194,947 50,951 11.165,953 8.448,954 -0.475,956 63.949,957 71.437,958 0.316,959 0.693,960 0.843,961 0.896,962 0.907,963 0.907,964 5.185,965 1.985,966 6.094,967 5.702,968 4.71,969 5.204,970 3.458,971 6.917,972 4.582,973 6.413,974 1.733,975 7.674,976 5.153,977 4.511,978 5.103,979 4.06,980 8.028,981 4.233,982 7.732,983 1.593,984 9.361,985 4.932,986 6.361,987 7.371,988 5.605,989 11.028,990 6.102,991 9.084,992 1.519,993 11.113,994 4.624,995 6.919,996 8.003,997 6.774,998 12.95,999 6.503,1000 10.464,1001 1.079,1002 12.909,1003 3.951,1004 8.32,1005 9.819,1006 8.131,1007 15.552,1008 7.905,1009 11.864,1010 1,1011 14.736,1012 2.316,1013 9.214,1014 10.81,1015 9.427,1016 17.792,1017 8.66,1018 13.281,1019 0.63,1020 16.588,1021 2.275,1022 10.457,1023 12.427,1024 10.763,1025 20.276,1026 9.875,1027 3.314,1028 0.557,1029 18.458,1030 1.461,1031 11.504,1032 13.611,1033 12.091,1034 22.637,1035 10.807,1036 3.171,1037 11.657,1038 20.343,1039 1.107,1040 12.693,1041 15.129,1042 13.428,1043 25.085,1044 11.945,1045 2.801,1046 11.076,1047 22.241,1048 4.257,1049 13.808,1050 16.42,1051 14.765,1052 27.493,1053 12.964,1054 2.639,1055 8.678,1056 24.147,1057 3.836,1058 14.981,1059 17.889,1060 16.104,1061 29.931,1062 14.075,1063 2.284,1064 7.687,1065 26.062,1066 3.814,1067 16.129,1068 19.239,1069 17.444,1070 32.357,1071 15.137,1072 2.252,1073 6.622,1074 27.983,1075 3.187,1076 17.3,1077 20.685,1078 18.785,1079 34.795,1080 16.24,1081 2.148,1082 6.181,1083 29.909,1084 3.01,1085 18.463,1086 22.069,1087 20.126,1088 37.229,1089 17.325,1090 19844,1091 39253,1092 24.561,1093 40.995,1094 58.835,1095 58.564,1096 60.132,1097 58.086,1098 57.694,1099 73.424,1100 14.423,1101 167.408,1102 53.836,1103 5.444,1104 6.46,1105 6.666,1106 5.241,1107 5.314,1108 7.257,1109 5.556,1110 18.546,1111 5.094,1112 25.584,1113 1.509,1114 1.502,1115 1.542,1116 1.489,1117 1.479,1118 1.883,1119 0.37,1120 4.293,1121 1.38,1122 4.024,1123 4.059,1124 4.058,1125 3.942,1126 8.513,1127 3.946,1128 3.946,1129 3.976,1130 3.905,1131 3.873,1132 7.999,1133 3.873,1134 3.769,1135 3.818,1136 3.824,1137 3.629,1138 7.999,1139 3.643,1140 3.664,1141 3.707,1142 3.586,1143 3.42,1144 7.434,1145 3.447,1146 3.488,1147 3.532,1148 3.435,1149 3.234,1150 5.287,1151 3.264,1152 3.392,1153 3.485,1154 3.301,1155 3.193,1156 5.04,1157 3.185,1158 3.308,1159 3.363,1160 3.263,1161 3.061,1162 4.975,1163 3.082,1164 3.132,1165 3.229,1166 3.204,1167 2.904,1168 4.744,1169 2.925,1170 0.116,1171 0.114,1172 0.182,1173 0.107,1174 0.085,1175 4.535,1176 0.109,1177 4.46,1178 0.098,1179 7.111,1180 0.299,1181 4.171,1182 0.079,1183 3.314,1184 4.257,1185 3.825,1186 11.657,1187 3.094,1188 1.958,1189 1.935,1190 2.036,1191 2.066,1192 1.201,1193 2.055,1194 1.925,1195 1.9,1196 2.021,1197 2.026,1198 1.188,1199 2.026,1200 1.707,1201 1.664,1202 1.852,1203 1.882,1204 1.026,1205 1.867,1206 1.569,1207 1.519,1208 1.793,1209 1.82,1210 1.003,1211 1.811,1212 1.391,1213 1.335,1214 1.663,1215 1.664,1216 0.701,1217 1.658,1218 1.379,1219 1.296,1220 1.614,1221 1.632,1222 0.652,1223 1.646,1224 1.194,1225 1.14,1226 1.431,1227 1.464,1228 0.596,1229 1.438,1230 1.021,1231 0.948,1232 1.267,1233 1.376,1234 0.218,1235 1.356,1236 4.369,1238 5.7,1240 7.209,1242 8.803,1244 10.444,1246 3.174,1247 6.341,1248 38.674,1250 11.824,1252 0.809,1254 4.98,1257 1.451,1258 -4.439,1262 40.352,1263 116.618,1264 255.799,1265 311.244,1266 330.896,1267 334.896,1268 334.896,1269 113.258,1270 7.698,1271 132.08,1272 132.08,1273 18,1274 12.69,1275 4.392,1276 3.585,1277 76.806,1278 183,1279 166,1280 0.198,1281 254.085,1282 452.94,1283 611.728,1284 24155,1285 6.5,1286 27.165,1287 0.734,1288 0.563,1289 25.165,1290 20.845,1291 17.473,1292 0.448,1293 0.296,1294 10.957,1295 16.233,1296 10.685,1297 8.837,1298 16.55,1299 11.532,1300 16.698,1301 0.304,1302 0.151,1303 15.111,1304 8.328,1305 12.23,1306 0.185,1307 0.083,1308 11.674,1309 5.499,1310 9.899,1311 0.121,1312 0.044,1313 9.434,1314 3.588,1315 7.621,1316 0.076,1317 0.024,1318 7.599,1319 2.377,1320 0.315,1321 114.661,1322 0.202,1323 33.835,1324 0.535,1325 188,1326 804.858,1327 238.366,1328 724.057,1329 937.11,1330 668,1331 215,1332 642.385,1333 253.904,1334 635.797,1335 938.7,1336 595,1337 5.179}
{0 CHEMBL87549,1 1.785,2 12.618,3 4.763,4 22.686,5 134.553,6 8.237,7 0.5,8 4.174,9 4.302,10 3.805,11 3.671,12 5.396,13 3.668,14 4.665,15 4.842,16 4.159,17 4.016,18 5.903,19 3.995,20 4.89,21 5.089,22 4.246,23 4.137,24 6.077,25 4.106,26 4.908,27 5.114,28 4.209,29 4.142,30 6.082,31 4.093,32 4.998,33 5.228,34 4.195,35 4.172,36 6.11,37 4.115,38 5.052,39 5.299,40 4.248,41 4.217,42 6.156,43 4.134,44 5.032,45 5.269,46 4.307,47 4.192,48 6.199,49 4.104,50 4.903,51 5.116,52 4.231,53 4.124,54 6.102,55 4.049,56 0.169,57 0.958,58 10.524,59 4.915,60 19.437,61 6.156,62 0.478,63 1.414,64 21.004,65 8.2,66 43.509,67 10.631,68 0.725,69 1.665,70 30.245,71 8.995,72 75.706,73 11.806,74 0.627,75 1.689,76 30.288,77 9.277,78 73.905,79 12.813,80 0.749,81 1.746,82 32.471,83 9.196,84 77.154,85 13.544,86 0.784,87 1.769,88 36.989,89 11.276,90 85.801,91 16.085,92 0.907,93 1.59,94 43.242,95 11.908,96 102.784,97 16.427,98 0.847,99 1.472,100 39.258,101 11.168,102 84.198,103 14.123,104 57,105 49,106 0.289,107 0.661,108 0.818,109 0.872,110 0.872,111 0.872,112 3.56,113 0.909,114 -5.48,115 -5.36,116 -5,119 39,120 2,121 1,125 3,139 7,140 3,141 3,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 9,169 3,170 7,172 3,173 3,175 1,178 10,180 1,181 1,182 10,187 1,189 8,191 1,192 1,193 16,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 2,207 14,212 4,215 4,218 4,220 3,221 8,223 1,224 1,226 2,229 2,231 2,233 3,234 9,236 1,237 1,239 2,241 7,243 2,245 2,246 7,248 2,249 2,254 13,260 6,262 1,263 1,265 1,268 13,270 1,273 2220,274 22.455,275 22.455,276 22.455,277 22.455,278 22.455,279 19.799,280 27.768,281 13.293,282 23.029,283 17.692,284 17.692,285 17.692,286 17.692,287 17.692,288 13.677,289 32.172,290 6.264,291 18.684,292 4.098,293 1.807,294 0.833,295 0.5,296 0.5,297 0.5,298 4.239,299 1,302 1,303 890,304 4.183,307 383.051,314 1.78,315 43.932,318 0.75,319 0.5,320 0.83,321 0.8,322 0.5,323 1,324 1,325 0.77,326 75.333,327 429,328 4.535,329 3.627,330 6.77,331 4.146,332 3.171,333 4.257,334 2.443,335 11.076,336 3.094,337 4.185,338 3.278,339 6.048,340 3.74,341 2.803,342 3.815,343 0.657,344 8.678,345 2.642,346 4.031,347 3.113,348 5.594,349 3.655,350 2.689,351 3.62,352 0.286,353 7.726,354 2.562,355 3.653,356 3.002,357 5.304,358 3.341,359 2.397,360 3.014,362 6.627,363 2.252,364 3.587,365 2.805,366 5.161,367 3.186,368 2.257,369 2.802,371 6.433,372 2.103,373 3.527,374 2.385,375 5.038,376 3.161,377 2.202,378 2.706,380 5.702,381 2.064,382 3.303,383 2.307,384 4.813,385 2.933,386 1.985,387 2.55,389 5.478,390 1.877,391 3.289,392 2.226,393 4.756,394 2.91,395 1.954,396 2.492,398 5.138,399 1.846,400 3.102,401 1.975,402 4.645,403 2.679,404 1.731,405 2.31,407 4.931,408 1.632,409 2.905,410 1.844,411 4.232,412 2.456,413 1.532,414 2.018,415 3.954,416 1.364,417 2.5,418 1.722,419 3.414,420 2.041,421 1.083,422 1.5,423 2.318,424 1.026,425 2.391,426 1,427 3.341,428 2,429 1,430 1.256,431 2.275,432 1,433 2.027,434 0.849,435 3.327,436 1.591,437 0.639,438 0.85,439 1.481,440 0.593,441 1.748,442 0.748,443 3.146,444 1.537,445 0.56,446 0.643,448 1.11,449 0.543,450 1.398,451 0.709,452 2.753,453 1.078,454 0.165,455 0.193,457 0.343,458 0.14,459 15.967,460 0.47,461 0.911,462 0.027,463 44,464 1.294,465 22.5,466 0.662,467 21.5,468 0.632,469 30.406,470 0.894,471 37.433,472 0.634,473 37.633,474 1.107,475 8.932,476 0.263,477 7.329,478 0.216,479 0.196,481 0.338,483 1,485 0.704,486 1.135,487 0.652,488 1.013,489 0.699,490 0.923,491 0.686,492 1.021,493 0.659,494 0.935,495 0.508,496 0.881,497 1.225,498 1.118,499 0.992,500 0.892,501 1.067,502 0.915,503 0.897,504 1.215,505 1.02,506 1.144,507 0.831,508 1.122,509 0.852,510 1.024,511 0.876,512 0.942,513 0.743,514 1.017,515 0.753,516 0.887,517 0.853,518 0.906,519 0.704,520 0.959,521 0.818,522 0.784,523 1.143,524 1.002,525 0.691,526 0.958,527 1.1,528 0.762,529 1.407,530 1.03,531 0.938,532 0.973,533 8,534 0.355,535 3.556,536 2.563,537 1.92,538 1.132,539 0.892,540 0.62,541 0.534,542 0.349,543 15810,544 53387,545 1.977,546 42.4,547 3,548 13,551 4,552 5,555 1.765,556 1.821,557 3.598,558 1.604,564 105.286,565 1.785,566 4.076,567 5.049,568 5.382,569 5.382,570 5.382,571 2.992,572 4.735,573 5.06,574 3.795,575 2128.73,576 8.898,577 33627.3,582 347.076,583 1.508,584 4.999,585 0.222,586 0.009,587 0.073,588 0.05,589 0.039,590 0.024,591 0.019,592 0.013,593 0.012,594 0.008,595 0.468,597 0.75,598 1.308,599 183.073,600 -0.025,601 0.01,602 0.013,604 -0.096,605 0.017,606 0.128,607 0.013,608 0.127,609 0.059,610 0.148,611 0.083,612 -0.198,613 -0.069,614 -0.066,615 0.069,616 -0.148,617 0.018,618 -0.072,619 -0.191,620 -0.123,621 -0.188,622 -0.061,623 -0.177,624 -0.097,625 -0.103,626 -0.077,627 -0.052,628 -0.103,629 -0.089,630 0.023,631 0.04,632 0.067,633 0.043,634 -0.012,635 0.026,636 0.091,637 0.049,638 0.091,639 0.023,640 0.071,641 0.063,642 -0.016,643 0.179,644 -0.054,645 0.047,646 -0.026,647 0.045,648 2.065,649 5.259,650 0.529,651 37.294,652 1.018,653 1.141,654 4.249,655 18.051,656 0.667,657 3.611,658 3.912,659 4.111,660 4.344,661 4.554,662 4.595,663 4.654,664 4.718,665 4.771,666 4.796,667 7.685,668 0.645,669 486,670 3.611,671 5.142,672 5.964,673 6.828,674 7.671,675 8.541,676 9.394,677 10.268,678 11.128,679 12.005,680 11.9,684 2,687 1,690 2,692 2,695 7,696 2,700 9,702 18,711 2,717 2,718 59,719 20,720 2,721 36,723 61,724 23,725 16,726 5,727 7,729 3,730 3,731 1,734 2,739 1,741 17,742 6,744 2,748 1,750 2,751 1,755 1,757 25,758 10,759 4,760 11,761 1,764 7,769 1,770 2,776 1,781 3,793 1,802 3,806 2,807 1,808 1,810 34,811 2,816 4,818 1,821 1,828 2,829 3.4,832 1,834 1,836 18.667,837 11.119,838 7.611,839 3.435,840 3.713,841 1.495,842 0.959,843 8.883,844 11.207,845 3.871,846 4.449,847 4.961,848 5.511,849 6.051,850 6.264,851 6.58,852 6.935,853 7.275,854 7.561,855 1,856 51,857 12.507,859 5.189,860 8.008,861 23.152,863 18.045,865 2.508,866 85.278,870 247.193,871 134.433,872 135.571,873 39.149,874 36.145,875 14.96,877 134.433,878 322.487,879 150.531,880 17.65,881 14.34,882 132.128,883 65.907,884 38.692,885 52.391,886 247.193,887 39.149,888 247.193,889 270.003,890 51.105,891 39.149,893 262.153,894 36.145,897 36.646,898 166.582,899 105.923,901 262.153,902 171.716,903 173.581,906 247.193,907 50.449,908 86.986,910 222.822,911 247.193,912 186.676,913 173.581,915 0.576,916 0.321,917 0.169,918 0.096,919 20,920 11,921 0.164,922 10,924 1,925 4.368,926 301.944,928 18,929 168.974,933 25.505,934 11.842,935 7.189,937 186.676,938 11.231,939 8.346,943 3.691,945 65.794,946 607.45,947 47,951 11.136,953 8.594,954 -0.399,956 60.04,957 67.343,958 0.303,959 0.693,960 0.858,961 0.915,962 0.915,963 0.915,964 5.097,965 1.954,966 5.948,967 5.478,968 4.595,969 5.136,970 2.477,971 6.72,972 4.492,973 6.304,974 1.731,975 7.487,976 5.138,977 4.205,978 4.945,979 2.243,980 7.567,981 4.03,982 7.602,983 1.532,984 9.122,985 4.931,986 6.155,987 7.292,988 3.849,989 10.635,990 5.969,991 8.931,992 1.083,993 10.813,994 3.954,995 6.524,996 7.861,997 4.269,998 12.33,999 6.278,1000 10.289,1001 1,1002 12.543,1003 2.318,1004 7.975,1005 9.723,1006 5.487,1007 14.947,1008 7.721,1009 11.666,1010 0.639,1011 14.301,1012 2.275,1013 8.715,1014 10.674,1015 6.158,1016 17.038,1017 8.417,1018 13.061,1019 0.56,1020 16.082,1021 1.481,1022 9.963,1023 12.32,1024 7.208,1025 19.503,1026 9.654,1027 3.171,1028 0.165,1029 17.882,1030 1.11,1031 10.895,1032 13.483,1033 7.992,1034 21.771,1035 10.554,1036 2.803,1037 11.076,1038 19.699,1039 0.343,1040 12.06,1041 15.019,1042 8.963,1043 24.186,1044 11.705,1045 2.689,1046 8.678,1047 21.53,1048 4.257,1049 13.091,1050 16.301,1051 9.802,1052 26.531,1053 12.712,1054 2.397,1055 7.726,1056 23.373,1057 3.815,1058 14.227,1059 17.782,1060 10.734,1061 28.933,1062 13.832,1063 2.257,1064 6.627,1065 25.227,1066 3.62,1067 15.309,1068 19.13,1069 11.599,1070 31.31,1071 14.892,1072 2.202,1073 6.433,1074 27.089,1075 3.014,1076 16.438,1077 20.584,1078 12.512,1079 33.709,1080 16.004,1081 1.985,1082 5.702,1083 28.959,1084 2.802,1085 17.546,1086 21.97,1087 13.391,1088 36.1,1089 17.093,1090 15674,1091 28969,1092 23.175,1093 39.358,1094 53.236,1095 54.32,1096 55.021,1097 52.708,1098 52.51,1099 68.253,1100 6.772,1101 146.909,1102 49.63,1103 5.443,1104 5.627,1105 6.326,1106 5.216,1107 5.171,1108 7.257,1109 4.174,1110 17.964,1111 5.094,1112 21.247,1113 1.479,1114 1.509,1115 1.528,1116 1.464,1117 1.459,1118 1.896,1119 0.188,1120 4.081,1121 1.379,1122 4.021,1123 4.056,1124 4.057,1125 3.939,1126 8.201,1127 3.943,1128 3.923,1129 3.957,1130 3.869,1131 3.847,1132 7.434,1133 3.846,1134 3.767,1135 3.815,1136 3.824,1137 3.629,1138 5.287,1139 3.643,1140 3.656,1141 3.697,1142 3.569,1143 3.412,1144 5.04,1145 3.438,1146 3.46,1147 3.513,1148 3.385,1149 3.211,1150 4.975,1151 3.234,1152 3.392,1153 3.485,1154 3.287,1155 3.192,1156 4.734,1157 3.184,1158 3.149,1159 3.236,1160 3.204,1161 2.952,1162 4.608,1163 2.948,1164 3.108,1165 3.205,1166 2.993,1167 2.899,1168 4.465,1169 2.917,1170 0.126,1171 0.101,1172 0.188,1173 0.115,1174 0.088,1175 4.535,1176 0.118,1177 3.627,1178 0.068,1179 6.77,1180 0.308,1181 4.146,1182 0.086,1183 3.171,1184 4.257,1185 2.443,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.027,1191 2.065,1192 1.191,1193 2.055,1194 1.903,1195 1.875,1196 2.014,1197 2.011,1198 1.178,1199 2.012,1200 1.707,1201 1.664,1202 1.852,1203 1.876,1204 1.01,1205 1.864,1206 1.563,1207 1.513,1208 1.79,1209 1.815,1210 1.001,1211 1.806,1212 1.385,1213 1.319,1214 1.66,1215 1.65,1216 0.694,1217 1.655,1218 1.375,1219 1.295,1220 1.614,1221 1.632,1222 0.604,1223 1.641,1224 1.119,1225 1.048,1226 1.402,1227 1.383,1228 0.594,1229 1.387,1230 1.014,1231 0.941,1232 1.267,1233 1.361,1234 0.218,1235 1.354,1236 4.29,1238 5.595,1240 7.081,1242 8.658,1244 10.287,1246 3.27,1247 6.364,1248 13.259,1250 11.854,1252 1.313,1254 5.024,1257 1.595,1262 38.058,1263 105.286,1264 240.47,1265 297.915,1266 317.566,1267 317.566,1268 317.566,1269 84.874,1270 7.494,1271 132.08,1272 132.08,1273 18,1274 12.547,1275 4.392,1276 3.585,1277 67.063,1278 157,1279 154,1280 0.204,1281 242.096,1282 423.5,1283 582.475,1284 18470,1285 3.4,1286 24.665,1287 0.725,1288 0.576,1289 24.294,1290 19.589,1291 16.261,1292 0.452,1293 0.303,1294 10.379,1295 15.199,1296 10.079,1297 8.376,1298 16.156,1299 10.904,1300 14.74,1301 0.301,1302 0.158,1303 14.489,1304 7.76,1305 11.294,1306 0.188,1307 0.086,1308 11.263,1309 5.131,1310 9.199,1311 0.121,1312 0.044,1313 9.292,1314 3.379,1315 7.356,1316 0.078,1317 0.024,1318 7.308,1319 2.257,1320 0.323,1321 106.009,1322 0.208,1323 31.523,1324 0.554,1325 170,1326 614.636,1327 207.179,1328 597.639,1329 788.43,1330 554,1331 194,1332 551.718,1333 225.338,1334 557.488,1335 803.34,1336 523,1337 5.417}
{0 CHEMBL87730,1 1.717,2 12,3 3.407,4 11.607,5 132.18,6 8.086,7 0.514,8 4.156,9 4.289,10 3.776,11 3.643,12 5.36,13 3.639,14 4.644,15 4.828,16 4.115,17 3.986,18 5.835,19 3.959,20 4.85,21 5.052,22 4.198,23 4.112,24 5.973,25 4.073,26 4.878,27 5.083,28 4.184,29 4.127,30 6.018,31 4.073,32 4.992,33 5.226,34 4.174,35 4.159,36 6.095,37 4.099,38 5.026,39 5.273,40 4.222,41 4.201,42 6.099,43 4.113,44 5.016,45 5.257,46 4.265,47 4.171,48 6.141,49 4.076,50 4.864,51 5.08,52 4.182,53 4.098,54 6.002,55 4.013,56 0.143,57 0.899,58 10.775,59 4.609,60 16.761,61 6.077,62 0.451,63 1.305,64 21.181,65 7.608,66 42.167,67 10.359,68 0.609,69 1.506,70 29.3,71 8.295,72 59.082,73 11.645,74 0.504,75 1.588,76 29.474,77 8.859,78 57.828,79 12.822,80 0.722,81 1.706,82 32.901,83 8.893,84 71.436,85 13.429,86 0.611,87 1.675,88 35.916,89 10.945,90 70.692,91 16.014,92 0.815,93 1.493,94 43.02,95 11.493,96 90.7,97 16.152,98 0.718,99 1.314,100 38.025,101 10.509,102 63.669,103 13.888,104 44,105 47,106 0.279,107 0.663,108 0.832,109 0.87,110 0.87,111 0.87,112 3.532,113 0.913,114 -4.43,115 -4.36,116 -4.11,119 37.9,120 2,121 1,125 3,139 5,140 3,141 2,142 2,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 2,166 7,169 3,170 9,172 3,173 3,175 1,178 7,180 1,181 1,182 11,187 1,189 6,191 1,192 1,193 14,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 3,207 12,212 4,215 4,218 4,220 4,221 6,223 1,224 1,226 2,229 2,231 2,233 4,234 7,236 1,237 1,239 2,241 7,243 2,245 3,246 7,248 2,249 2,254 11,260 5,262 1,263 1,265 1,268 5,270 1,273 2052,274 22.007,275 22.007,276 22.007,277 22.007,278 22.007,279 19.376,280 26.14,281 13.207,282 22.592,283 17.226,284 17.226,285 17.226,286 17.226,287 17.226,288 13.272,289 31.51,290 6.228,291 18.193,292 4.141,293 1.781,294 0.743,295 0.509,296 0.509,297 0.509,298 4.212,299 1,302 1,303 822,304 4.123,307 369.4,314 1.758,315 35.82,318 1,319 0.5,320 0.83,321 0.8,322 0.5,323 0.83,324 0.5,325 0.71,326 72.333,327 396,328 4.535,329 3.627,330 6.77,331 4.146,332 3.171,333 4.257,334 2.443,335 11.076,336 3.094,337 4.185,338 3.278,339 6.048,340 3.737,341 2.801,342 3.815,343 0.657,344 8.678,345 2.619,346 3.939,347 3.113,348 5.575,349 3.616,350 2.651,351 3.458,352 0.286,353 7.678,354 2.541,355 3.634,356 2.937,357 5.304,358 3.249,359 2.291,360 3.012,362 6.621,363 2.183,364 3.562,365 2.398,366 5.041,367 3.186,368 2.253,369 2.722,371 6.11,372 2.098,373 3.451,374 2.385,375 5.038,376 3.115,377 2.152,378 2.604,380 5.702,381 2.036,382 3.3,383 2.226,384 4.756,385 2.932,386 1.985,387 2.548,389 5.149,390 1.876,391 3.108,392 1.976,393 4.647,394 2.681,395 1.732,396 2.323,398 4.931,399 1.635,400 2.953,401 1.846,402 4.233,403 2.466,404 1.543,405 2.104,407 3.959,408 1.376,409 2.83,410 1.755,411 3.599,412 2.366,413 1.429,414 1.945,415 3.055,416 1.33,417 2.5,418 1.488,419 3.34,420 2.034,421 1.074,422 1.5,423 2.306,424 1.019,425 2.39,426 1,427 3.327,428 1.984,429 1,430 1.256,431 2.136,432 0.983,433 2.008,434 0.845,435 3.247,436 1.572,437 0.623,438 0.822,439 1.424,440 0.573,441 1.747,442 0.716,443 3.084,444 1.528,445 0.553,446 0.641,448 1.101,449 0.537,450 1.39,451 0.565,452 2.751,453 1.048,454 0.138,455 0.165,457 0.272,458 0.116,459 15.581,460 0.472,461 0.805,462 0.024,463 43.75,464 1.326,465 22.5,466 0.682,467 21.25,468 0.644,469 28.694,470 0.87,471 36.019,472 0.621,473 36.104,474 1.094,475 8.81,476 0.267,477 7.058,478 0.214,479 0.183,481 0.314,485 0.787,486 1.3,487 0.668,488 1.042,489 0.806,490 0.938,491 0.758,492 1.054,493 0.685,494 0.906,495 0.517,496 0.868,497 1.279,498 1.124,499 0.988,500 0.879,501 1.111,502 0.907,503 0.895,504 1.355,505 1.006,506 1.189,507 0.836,508 1.136,509 1.05,510 1.112,511 0.902,512 0.925,513 1.026,514 1,515 0.777,516 1.008,517 0.839,518 0.947,519 0.711,520 0.969,521 0.993,522 0.838,523 1.18,524 0.998,525 0.885,526 0.949,527 1.137,528 0.75,529 1.425,530 1.031,531 0.927,532 0.968,533 7,534 0.281,535 3.111,536 2.5,537 1.729,538 1.076,539 0.811,540 0.557,541 0.493,542 0.307,543 14585,544 46384,545 1.994,546 43.1,547 3,548 11,550 2,551 4,552 5,555 1.757,556 1.85,557 3.542,558 1.633,564 99.559,565 1.717,566 4.077,567 5.115,568 5.349,569 5.349,570 5.349,571 2.923,572 4.863,573 5.017,574 3.753,575 1981.52,576 8.812,577 30561.4,582 339.763,583 1.462,584 4.964,585 0.2,586 0.008,587 0.066,588 0.051,589 0.036,590 0.023,591 0.017,592 0.012,593 0.011,594 0.007,595 0.432,597 0.75,598 1.304,599 175.846,600 -0.021,601 -0.034,602 0.019,603 -0.024,604 -0.112,605 0.004,606 0.156,607 0.066,608 0.118,609 0.086,610 0.193,611 0.091,612 -0.207,613 -0.049,614 -0.055,615 0.085,616 -0.181,617 0.029,618 -0.035,619 -0.261,620 -0.103,621 -0.217,622 -0.021,623 -0.183,624 -0.117,625 -0.045,626 -0.086,627 -0.025,628 -0.156,629 -0.079,630 0.039,631 -0.01,632 0.083,633 0.019,634 0.028,635 0.019,636 0.075,637 0.081,638 0.078,639 0.041,640 0.065,641 0.067,642 0.01,643 0.195,644 -0.045,645 0.057,646 -0.005,647 0.054,648 2.026,649 4.132,650 0.545,651 35.46,652 1.013,653 1.139,654 3.202,655 10.256,656 0.667,657 3.584,658 3.871,659 4.078,660 4.317,661 4.511,662 4.554,663 4.615,664 4.682,665 4.736,666 4.745,667 7.49,668 0.641,669 469,670 3.584,671 5.106,672 5.927,673 6.788,674 7.63,675 8.499,676 9.351,677 10.225,678 11.084,679 11.962,680 13.8,684 2,687 1,690 3,692 2,695 7,696 3,700 8,702 18,711 2,717 1,718 58,719 20,720 1,721 35,723 60,724 22,725 15,726 3,727 3,729 3,730 3,731 1,734 2,739 1,741 16,742 6,744 2,748 1,750 2,751 1,757 25,758 10,759 4,760 11,761 1,764 8,769 1,770 2,775 1,776 1,781 3,793 1,802 3,806 2,807 1,810 33,811 2,816 4,818 1,821 1,828 1,829 3.4,832 1,834 1,836 17.833,837 10.926,838 7.444,839 3.366,840 3.673,841 1.495,842 0.956,843 8.666,844 11.09,845 3.85,846 4.413,847 4.929,848 5.483,849 6.011,850 6.222,851 6.562,852 6.915,853 7.261,854 7.536,855 0.875,856 49,857 12.098,859 4.947,860 7.882,861 22.601,863 17.492,865 2.382,866 78.611,870 247.193,871 124.454,872 152.356,873 39.149,874 36.145,877 124.454,878 322.487,879 152.356,880 17.65,881 14.34,882 113.176,883 106.235,884 47.666,885 37.431,886 223.651,887 39.149,888 247.193,889 276.81,890 36.145,891 39.149,893 247.193,894 36.145,897 54.741,898 138.509,899 122.709,901 247.193,902 188.501,903 163.603,906 247.193,907 41.327,908 86.128,910 224.648,911 247.193,912 188.501,913 163.603,915 0.571,916 0.32,917 0.173,918 0.095,919 19,920 10,921 0.167,922 10,924 1,925 4.31,926 289.581,928 18,929 162.465,933 24.524,934 11.661,935 6.93,937 188.501,938 12.444,939 12.398,943 4.411,945 65.794,946 599.297,947 46,951 11.132,953 8.686,954 -0.36,956 58.745,957 66.086,958 0.293,959 0.696,960 0.873,961 0.913,962 0.913,963 0.913,964 5.066,965 1.732,966 5.9,967 5.149,968 4.554,969 5.1,970 2.477,971 6.668,972 4.452,973 6.263,974 1.543,975 7.433,976 4.931,977 4.111,978 4.844,979 2.243,980 7.509,981 3.952,982 7.553,983 1.429,984 9.066,985 3.959,986 6.103,987 7.242,988 3.849,989 10.595,990 5.918,991 8.877,992 1.074,993 10.758,994 3.055,995 6.447,996 7.772,997 4.269,998 12.303,999 6.219,1000 10.231,1001 1,1002 12.491,1003 2.306,1004 7.923,1005 9.668,1006 5.487,1007 14.926,1008 7.671,1009 11.607,1010 0.623,1011 14.255,1012 2.136,1013 8.655,1014 10.6,1015 6.158,1016 17.026,1017 8.371,1018 13.001,1019 0.553,1020 16.042,1021 1.424,1022 9.917,1023 12.265,1024 7.208,1025 19.493,1026 9.611,1027 3.171,1028 0.138,1029 17.848,1030 1.101,1031 10.849,1032 13.421,1033 7.992,1034 21.766,1035 10.518,1036 2.801,1037 11.076,1038 19.67,1039 0.272,1040 12.022,1041 14.968,1042 8.963,1043 24.182,1044 11.67,1045 2.651,1046 8.678,1047 21.506,1048 4.257,1049 13.056,1050 16.249,1051 9.802,1052 26.529,1053 12.683,1054 2.291,1055 7.678,1056 23.354,1057 3.815,1058 14.196,1059 17.737,1060 10.734,1061 28.931,1062 13.803,1063 2.253,1064 6.621,1065 25.211,1066 3.458,1067 15.281,1068 19.086,1069 11.599,1070 31.308,1071 14.869,1072 2.152,1073 6.11,1074 27.076,1075 3.012,1076 16.413,1077 20.546,1078 12.512,1079 33.708,1080 15.982,1081 1.985,1082 5.702,1083 28.948,1084 2.722,1085 17.524,1086 21.934,1087 13.391,1088 36.099,1089 17.074,1090 14430,1091 25901,1092 22.77,1093 38.665,1094 51.634,1095 52.237,1096 52.948,1097 50.946,1098 50.794,1099 66.342,1100 6.772,1101 140.393,1102 48.033,1103 5.442,1104 5.627,1105 6.572,1106 5.216,1107 5.171,1108 7.257,1109 4.174,1110 17.964,1111 5.094,1112 19.172,1113 1.475,1114 1.492,1115 1.513,1116 1.456,1117 1.451,1118 1.895,1119 0.193,1120 4.011,1121 1.372,1122 4.019,1123 4.054,1124 4.057,1125 3.937,1126 7.434,1127 3.941,1128 3.892,1129 3.938,1130 3.828,1131 3.783,1132 5.287,1133 3.787,1134 3.765,1135 3.812,1136 3.822,1137 3.628,1138 5.042,1139 3.643,1140 3.648,1141 3.69,1142 3.56,1143 3.401,1144 4.976,1145 3.428,1146 3.449,1147 3.507,1148 3.372,1149 3.198,1150 4.895,1151 3.217,1152 3.392,1153 3.485,1154 3.285,1155 3.19,1156 4.712,1157 3.184,1158 3.139,1159 3.233,1160 3.204,1161 2.909,1162 4.465,1163 2.928,1164 3.091,1165 3.194,1166 2.993,1167 2.866,1168 4.428,1169 2.869,1170 0.13,1171 0.104,1172 0.193,1173 0.118,1174 0.091,1175 4.535,1176 0.122,1177 3.627,1178 0.07,1179 6.77,1180 0.316,1181 4.146,1182 0.088,1183 3.171,1184 4.257,1185 2.443,1186 11.076,1187 3.094,1188 1.958,1189 1.935,1190 2.024,1191 2.065,1192 1.19,1193 2.054,1194 1.858,1195 1.818,1196 1.982,1197 2,1198 1.15,1199 1.996,1200 1.706,1201 1.663,1202 1.851,1203 1.872,1204 1.004,1205 1.862,1206 1.555,1207 1.506,1208 1.783,1209 1.812,1210 0.972,1211 1.802,1212 1.383,1213 1.308,1214 1.657,1215 1.646,1216 0.69,1217 1.655,1218 1.368,1219 1.294,1220 1.614,1221 1.631,1222 0.596,1223 1.638,1224 1.079,1225 0.994,1226 1.372,1227 1.38,1228 0.517,1229 1.374,1230 1.009,1231 0.932,1232 1.267,1233 1.353,1234 0.218,1235 1.351,1236 4.263,1238 5.557,1240 7.038,1242 8.612,1244 10.24,1246 3.318,1247 6.38,1250 11.874,1252 1.596,1254 5.052,1257 1.68,1262 37.169,1263 99.559,1264 236.444,1265 296.643,1266 310.253,1267 310.253,1268 310.253,1269 70.351,1270 7.416,1271 144.97,1272 144.97,1273 18,1274 12.504,1275 4.392,1276 3.585,1277 63.959,1278 148,1279 136,1280 0.206,1281 238.1,1282 411.13,1283 572.724,1284 16711,1285 1.7,1286 23.794,1287 0.721,1288 0.581,1289 24.294,1290 19.158,1291 15.867,1292 0.453,1293 0.304,1294 10.137,1295 14.845,1296 9.831,1297 8.191,1298 16.156,1299 10.654,1300 14.118,1301 0.3,1302 0.159,1303 14.489,1304 7.489,1305 10.883,1306 0.188,1307 0.086,1308 11.263,1309 4.967,1310 9.057,1311 0.122,1312 0.044,1313 9.292,1314 3.277,1315 7.065,1316 0.079,1317 0.024,1318 7.308,1319 2.146,1320 0.325,1321 103.28,1322 0.21,1323 30.741,1324 0.561,1325 164,1326 540.17,1327 198.736,1328 552.655,1329 738.44,1330 514,1331 187,1332 522.497,1333 216.76,1334 534.323,1335 768.2,1336 501,1337 5.208}
{0 CHEMBL88004,1 1.797,2 12.778,3 4.452,4 19.819,5 141.661,6 8.41,7 0.474,8 4.216,9 4.34,10 3.863,11 3.693,12 5.475,13 3.698,14 4.701,15 4.868,16 4.214,17 4.047,18 6.027,19 4.034,20 4.921,21 5.111,22 4.307,23 4.179,24 6.121,25 4.157,26 4.976,27 5.171,28 4.298,29 4.192,30 6.204,31 4.16,32 5.052,33 5.269,34 4.276,35 4.212,36 6.23,37 4.172,38 5.111,39 5.352,40 4.305,41 4.247,42 6.249,43 4.174,44 5.068,45 5.295,46 4.373,47 4.224,48 6.273,49 4.152,50 4.972,51 5.175,52 4.307,53 4.17,54 6.215,55 4.108,56 0.273,57 0.938,58 10.49,59 4.847,60 20.224,61 6.116,62 0.615,63 1.366,64 21.009,65 8.186,66 72.175,67 10.672,68 0.763,69 1.604,70 29.708,71 8.878,72 69.704,73 11.948,74 0.762,75 1.692,76 31.44,77 9.488,78 89.689,79 13.04,80 0.909,81 1.79,82 33.063,83 9.326,84 91.915,85 13.375,86 0.997,87 1.765,88 38.996,89 11.491,90 108.83,91 16.416,92 1.04,93 1.584,94 43.495,95 11.778,96 112.776,97 16.3,98 1.025,99 1.427,100 40.678,101 11.222,102 101.789,103 14.375,104 77,105 52,106 0.288,107 0.664,108 0.825,109 0.888,110 0.888,111 0.888,112 3.615,113 0.892,114 -5.3,115 -5.19,116 -4.85,119 37.7,120 2,121 1,125 3,139 7,140 3,141 3,143 1,144 1,147 1,153 1,157 2,158 2,159 2,160 4,166 9,169 4,170 9,172 3,173 3,175 1,178 10,180 1,181 1,182 16,187 1,189 8,191 1,192 1,193 20,195 1,196 1,197 1,198 5,200 2,201 4,204 5,205 1,206 3,207 16,212 4,215 4,218 4,220 6,221 8,223 1,224 1,226 2,229 2,231 2,233 6,234 9,236 1,237 1,239 2,241 7,243 2,245 5,246 8,248 2,249 2,254 12,259 2,260 6,262 1,263 1,265 1,268 10,270 1,273 2588,274 23.662,275 23.662,276 23.662,277 23.662,278 23.662,279 20.754,280 31.094,281 13.969,282 24.23,283 18.677,284 18.677,285 18.677,286 18.677,287 18.677,288 14.253,289 38.571,290 6.549,291 19.622,292 4.133,293 1.78,294 0.773,295 0.385,296 0.385,297 0.385,298 4.293,299 1,303 950,304 4.528,307 407.141,314 1.815,315 49.893,318 0.5,319 0.5,320 0.5,321 0.6,323 0.33,325 0.35,326 80.333,327 460,328 4.535,329 3.78,330 6.77,331 4.146,332 3.171,333 4.257,334 2.612,335 11.076,336 3.094,337 4.28,338 3.627,339 6.049,340 3.817,341 2.844,342 3.977,343 2.443,344 8.681,345 2.771,346 4.184,347 3.278,348 5.983,349 3.724,350 2.789,351 3.815,352 0.657,353 8.521,354 2.586,355 3.795,356 3.113,357 5.515,358 3.477,359 2.527,360 3.197,361 0.286,362 7.391,363 2.399,364 3.627,365 2.938,366 5.303,367 3.192,368 2.259,369 3.01,371 6.618,372 2.124,373 3.556,374 2.431,375 5.038,376 3.186,377 2.225,378 2.719,380 5.885,381 2.091,382 3.425,383 2.385,384 4.991,385 3.041,386 2.066,387 2.589,389 5.702,390 1.994,391 3.3,392 2.226,393 4.756,394 2.932,395 1.985,396 2.547,398 5.145,399 1.876,400 3.107,401 1.977,402 4.647,403 2.68,404 1.732,405 2.321,407 4.931,408 1.634,409 2.958,410 1.882,411 4.233,412 2.461,413 1.536,414 2.094,415 3.956,416 1.372,417 2.852,418 1.836,419 3.767,420 2.335,421 1.34,422 1.95,423 3.022,424 1.329,425 2.587,426 1.676,427 3.436,428 2.035,429 1.074,430 1.585,431 2.324,432 1.021,433 2.39,434 1.183,435 3.341,436 2,437 1,438 1.256,439 2.308,440 1,441 2.009,442 1,443 3.327,444 1.574,445 0.623,446 0.823,448 1.433,449 0.575,450 1.747,451 0.845,452 3.124,453 1.53,454 0.553,455 0.641,457 1.102,458 0.538,459 16.748,460 0.465,461 1,462 0.028,463 48.5,464 1.347,465 25.5,466 0.708,467 23,468 0.639,469 31.484,470 0.875,471 39.652,472 0.65,473 42.975,474 1.194,475 9.755,476 0.271,477 7.417,478 0.206,479 0.21,481 0.346,485 0.608,486 1.209,487 0.639,488 0.996,489 0.653,490 0.917,491 0.615,492 1.076,493 0.648,494 0.942,495 0.411,496 0.884,497 1.084,498 1.173,499 0.955,500 0.929,501 0.81,502 0.927,503 0.963,504 1.326,505 1.006,506 1.15,507 0.914,508 1.107,509 0.99,510 1.176,511 0.924,512 0.99,513 0.889,514 1.055,515 0.809,516 0.964,517 0.865,518 0.887,519 0.807,520 0.951,521 0.828,522 0.885,523 1.157,524 1.029,525 0.658,526 0.978,527 1.07,528 0.761,529 1.391,530 1.028,531 0.935,532 0.981,533 8.5,534 0.413,535 3.778,536 2.938,537 2,538 1.312,539 0.974,540 0.651,541 0.543,542 0.407,543 18204,544 64605,545 1.963,546 41,547 3,548 13,551 4,552 5,555 1.779,556 1.8,557 3.619,558 1.605,564 109.637,565 1.797,566 4.15,567 5.158,568 5.545,569 5.545,570 5.545,571 3.006,572 4.781,573 5.143,574 3.831,575 2413.53,576 9.068,577 39809.8,582 361.775,583 1.53,584 5.076,585 0.224,586 0.009,587 0.073,588 0.053,589 0.037,590 0.025,591 0.019,592 0.013,593 0.011,594 0.008,595 0.472,597 0.63,598 1.355,599 197.209,600 0.087,601 0.07,602 0.021,603 0.029,604 -0.069,605 0.013,606 0.197,607 0.051,608 0.135,609 0.075,610 0.244,611 0.088,612 -0.179,613 -0.084,614 -0.047,615 0.048,616 -0.089,617 0.021,618 -0.104,619 -0.241,620 -0.11,621 -0.179,622 -0.074,623 -0.155,624 -0.141,625 -0.094,626 -0.116,627 -0.08,628 -0.132,629 -0.125,630 0.016,631 0.024,632 0.072,633 0.072,634 -0.045,635 0.045,636 0.095,637 0.064,638 0.078,639 0.01,640 0.072,641 0.049,642 -0.004,643 0.19,644 -0.061,645 0.046,646 -0.037,647 0.037,648 2.476,649 4.185,650 0.5,651 40.105,652 1.023,653 1.139,654 4.071,655 16.574,656 0.665,657 3.664,658 3.97,659 4.174,660 4.407,661 4.605,662 4.663,663 4.736,664 4.771,665 4.844,666 4.883,667 7.935,668 0.649,669 513.01,670 3.664,671 5.198,672 6.023,673 6.891,674 7.737,675 8.609,676 9.465,677 10.34,678 11.202,679 12.079,680 13.1,684 2,687 1,690 2,691 1,692 2,695 7,696 2,700 9,702 18,711 2,713 1,717 1,718 61,719 22,720 2,721 38,723 63,724 23,725 16,726 5,727 7,729 3,730 3,731 1,734 2,739 1,741 17,742 6,744 4,746 1,748 3,750 2,751 1,757 25,758 11,759 4,760 13,761 1,764 8,769 1,770 4,776 1,781 3,793 1,802 3,806 2,807 1,810 36,811 2,816 4,818 1,821 1,828 1,829 6.6,832 1,834 1,835 2,836 20,837 11.51,838 8.056,839 3.516,840 3.971,841 1.52,842 0.947,843 9.392,844 11.605,845 3.951,846 4.538,847 5.042,848 5.59,849 6.123,850 6.359,851 6.707,852 6.977,853 7.328,854 7.625,855 1,856 55,857 13.229,859 5.515,860 8.091,861 24.261,863 18.853,865 2.591,866 93.278,870 247.193,871 128.068,872 141.241,873 39.149,874 86.892,877 128.068,878 373.234,879 141.241,880 23.32,881 14.34,882 132.128,883 65.907,884 32.327,885 37.431,886 247.193,887 89.896,888 247.193,889 269.309,890 86.892,891 39.149,893 247.193,894 36.145,895 50.747,897 36.646,898 160.218,899 111.593,901 247.193,902 228.132,903 167.217,906 247.193,907 44.084,908 92.656,910 258.609,911 247.193,912 228.132,913 167.217,915 0.578,916 0.324,917 0.17,918 0.094,919 21,920 12,921 0.175,922 11,924 1,925 4.477,926 327.878,928 18,929 184.117,933 27.113,934 12.471,935 7.507,937 222.462,938 11.283,939 8.33,943 3.592,945 65.794,946 642.543,947 51,949 -0.476,951 33.433,953 8.55,954 -0.437,956 62.4,957 69.505,958 0.303,959 0.7,960 0.87,961 0.935,962 0.935,963 0.935,964 5.179,965 1.985,966 6.014,967 5.702,968 4.654,969 5.226,970 3.14,971 6.797,972 4.562,973 6.395,974 1.732,975 7.562,976 5.145,977 4.29,978 5.103,979 2.946,980 7.667,981 4.141,982 7.702,983 1.536,984 9.206,985 4.931,986 6.225,987 7.405,988 4.698,989 10.734,990 6.054,991 9.041,992 1.34,993 10.908,994 3.956,995 6.621,996 8.047,997 5.082,998 12.434,999 6.402,1000 10.407,1001 1.074,1002 12.646,1003 3.022,1004 8.062,1005 9.867,1006 6.435,1007 15.043,1008 7.825,1009 11.794,1010 1,1011 14.411,1012 2.324,1013 8.821,1014 10.877,1015 7.069,1016 17.124,1017 8.546,1018 13.198,1019 0.623,1020 16.197,1021 2.308,1022 10.062,1023 12.491,1024 8.236,1025 19.578,1026 9.77,1027 3.171,1028 0.553,1029 18,1030 1.433,1031 11.004,1032 13.693,1033 9.001,1034 21.833,1035 10.682,1036 2.844,1037 11.076,1038 19.817,1039 1.102,1040 12.164,1041 15.209,1042 10.071,1043 24.238,1044 11.824,1045 2.789,1046 8.681,1047 21.646,1048 4.257,1049 13.197,1050 16.512,1051 10.91,1052 26.573,1053 12.833,1054 2.527,1055 8.521,1056 23.486,1057 3.977,1058 14.328,1059 17.98,1060 11.925,1061 28.966,1062 13.946,1063 2.259,1064 7.391,1065 25.335,1066 3.815,1067 15.408,1068 19.338,1069 12.807,1070 31.336,1071 15.004,1072 2.225,1073 6.618,1074 27.192,1075 3.197,1076 16.532,1077 20.783,1078 13.793,1079 33.73,1080 16.109,1081 2.066,1082 5.885,1083 29.055,1084 3.01,1085 17.636,1086 22.172,1087 14.701,1088 36.117,1089 17.193,1090 18110,1091 34317,1092 24.274,1093 40.574,1094 56.537,1095 58.364,1096 58.483,1097 55.872,1098 55.723,1099 73.891,1100 11.997,1101 156.736,1102 53.036,1103 5.444,1104 5.78,1105 6.328,1106 5.216,1107 5.171,1108 7.257,1109 4.612,1110 17.964,1111 5.094,1112 23.582,1113 1.488,1114 1.536,1115 1.539,1116 1.47,1117 1.466,1118 1.944,1119 0.316,1120 4.125,1121 1.396,1122 4.033,1123 4.067,1124 4.059,1125 3.942,1126 7.815,1127 3.946,1128 3.978,1129 4.007,1130 3.951,1131 3.872,1132 7.434,1133 3.878,1134 3.771,1135 3.821,1136 3.824,1137 3.629,1138 6.999,1139 3.643,1140 3.674,1141 3.719,1142 3.603,1143 3.418,1144 5.287,1145 3.446,1146 3.532,1147 3.559,1148 3.477,1149 3.225,1150 5.04,1151 3.262,1152 3.405,1153 3.485,1154 3.337,1155 3.193,1156 4.975,1157 3.185,1158 3.392,1159 3.453,1160 3.282,1161 3.058,1162 4.743,1163 3.122,1164 3.139,1165 3.232,1166 3.204,1167 2.912,1168 4.656,1169 2.929,1170 0.119,1171 0.099,1172 0.178,1173 0.109,1174 0.083,1175 4.535,1176 0.112,1177 3.78,1178 0.069,1179 6.77,1180 0.291,1181 4.146,1182 0.081,1183 3.171,1184 4.257,1185 2.612,1186 11.076,1187 3.094,1188 1.959,1189 1.935,1190 2.04,1191 2.095,1192 1.196,1193 2.067,1194 1.933,1195 1.906,1196 2.022,1197 2.061,1198 1.186,1199 2.048,1200 1.707,1201 1.664,1202 1.852,1203 1.897,1204 1.02,1205 1.872,1206 1.57,1207 1.519,1208 1.794,1209 1.828,1210 1.003,1211 1.817,1212 1.392,1213 1.336,1214 1.663,1215 1.709,1216 0.696,1217 1.668,1218 1.379,1219 1.296,1220 1.614,1221 1.633,1222 0.633,1223 1.651,1224 1.224,1225 1.18,1226 1.44,1227 1.596,1228 0.596,1229 1.548,1230 1.075,1231 1.008,1232 1.267,1233 1.379,1234 0.213,1235 1.366,1236 4.344,1238 5.652,1240 7.143,1242 8.724,1244 10.357,1246 3.227,1247 6.368,1250 11.857,1252 1.013,1254 5.019,1257 1.517,1262 39.599,1263 109.637,1264 253.169,1265 314.614,1266 338.265,1267 338.265,1268 338.265,1269 98.985,1270 7.634,1271 177.9,1272 177.9,1273 18,1274 12.621,1275 4.524,1276 3.807,1277 73.415,1278 172,1279 150,1280 0.203,1281 252.758,1282 443.37,1283 608.488,1284 22258,1285 1.6,1286 26.242,1287 0.729,1288 0.569,1289 26.742,1290 20.475,1291 17.172,1292 0.452,1293 0.297,1294 10.761,1295 15.98,1296 10.462,1297 8.704,1298 17.461,1299 11.304,1300 15.651,1301 0.301,1302 0.155,1303 16.021,1304 8.06,1305 11.925,1306 0.186,1307 0.083,1308 12.305,1309 5.339,1310 9.787,1311 0.121,1312 0.044,1313 10.021,1314 3.558,1315 7.682,1316 0.078,1317 0.024,1318 7.925,1319 2.338,1320 0.322,1321 112.506,1322 0.203,1323 32.97,1324 0.553,1325 180,1326 651.641,1327 219.525,1328 653.759,1329 859.67,1330 602,1331 206,1332 609.75,1333 240.247,1334 615.125,1335 882.35,1336 575,1337 5.793}
{0 CHEMBL88430,1 1.748,2 10.16,3 2.979,4 8.874,5 100.998,6 8.369,7 0.63,8 3.883,9 4.004,10 3.532,11 3.374,12 5.092,13 3.382,14 4.356,15 4.517,16 3.898,17 3.735,18 5.535,19 3.727,20 4.506,21 4.659,22 4.069,23 3.901,24 5.668,25 3.875,26 4.633,27 4.803,28 4.081,29 3.923,30 5.851,31 3.854,32 4.684,33 4.916,34 3.742,35 3.853,36 5.697,37 3.734,38 4.574,39 4.83,40 3.7,41 3.709,42 5.581,43 3.602,44 4.45,45 4.67,46 3.687,47 3.629,48 5.476,49 3.547,50 4.288,51 4.479,52 3.658,53 3.56,54 5.409,55 3.484,56 0.113,57 0.648,58 7.735,59 3.383,60 12.761,61 4.188,62 0.361,63 0.95,64 15.582,65 5.908,66 29.571,67 7.255,68 0.325,69 1.104,70 17.718,71 6.593,72 23.711,73 8.306,74 0.532,75 1.141,76 25.796,77 7.844,78 47.134,79 10.206,80 0.566,81 1.139,82 28.936,83 8.396,84 49.617,85 11.45,86 0.477,87 0.989,88 24.482,89 7.631,90 46.082,91 10.586,92 0.523,93 0.819,94 25.288,95 7.126,96 41.524,97 9.047,98 0.317,99 0.78,100 17.72,101 6.105,102 27.401,103 7.851,104 30,105 38,106 0.304,107 0.666,108 0.77,109 0.842,110 0.858,111 0.882,112 3.267,113 0.874,114 -3.71,115 -3.68,116 -3.5,119 39.5,124 2,125 1,139 5,140 2,141 4,143 1,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 6,172 3,173 3,175 3,178 6,180 1,182 4,185 1,187 2,189 3,193 5,195 1,196 2,197 1,198 9,200 2,201 2,204 5,205 1,206 1,207 2,212 2,215 2,218 2,221 2,224 2,225 1,226 2,228 1,229 5,231 2,234 4,241 4,246 5,250 1,251 1,253 1,254 3,256 1,259 2,260 2,262 1,263 1,265 1,270 1,273 853,274 16.826,275 16.826,276 16.826,277 16.826,278 16.826,279 14.692,280 23.151,281 9.666,282 17.494,283 13.154,284 13.154,285 13.154,286 13.154,287 13.154,288 9.83,289 32.048,290 4.382,291 14.108,292 3.678,293 1.601,294 1.003,295 0.593,296 0.5,297 0.361,298 3.946,299 1,300 1,301 1,302 1,303 536,304 2.915,307 209.768,311 109.065,314 1.446,315 24.981,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 54.833,327 254,328 4.654,329 3.43,330 6.835,331 4.165,332 3.212,333 4.616,334 0.86,335 11.231,336 3.047,337 4.267,338 3.151,339 6.174,340 3.859,341 2.905,342 3.911,343 0.86,344 9.174,345 2.768,346 3.903,347 2.78,348 5.797,349 3.473,350 2.537,351 3.408,352 0.657,353 7.845,354 2.372,355 3.545,356 2.679,357 5.221,358 3.159,359 2.24,360 2.862,362 6.492,363 2.049,364 3.454,365 2.273,366 5.097,367 2.991,368 2.054,369 2.855,371 5.916,372 1.912,373 3.386,374 2.068,375 5.009,376 2.926,377 1.982,378 2.708,380 5.795,381 1.863,382 2.927,383 2.019,384 4.421,385 2.554,386 1.623,387 2.065,389 4.305,390 1.505,391 2.703,392 1.794,393 4.223,394 2.24,395 1.343,396 1.774,398 3.51,399 1.146,400 2.072,401 1.252,402 3.349,403 1.761,404 0.823,405 0.996,407 1.876,408 0.762,409 1.865,410 0.961,411 3.044,412 1.589,413 0.711,414 0.793,415 1.275,416 0.615,417 1.484,418 0.912,419 2.836,420 1.2,421 0.341,422 0.377,423 0.488,424 0.289,425 1.343,426 0.502,427 2.81,428 0.973,429 0.054,430 0.067,431 0.12,432 0.047,433 1.188,434 0.184,435 2.642,436 0.716,437 -0.116,438 -0.142,439 -0.3,440 -0.084,441 0.935,442 -0.035,443 2.516,444 0.514,445 -0.41,446 -0.517,448 -0.855,449 -0.374,450 0.742,451 -0.294,452 2.233,453 0.37,454 -0.527,455 -0.627,457 -1.183,458 -0.463,459 11.881,460 0.475,461 0.644,462 0.026,463 35.25,464 1.41,465 18.5,466 0.74,467 16.75,468 0.67,469 18.241,470 0.73,471 27.119,472 0.631,473 26.101,474 1.044,475 7.239,476 0.29,477 4.789,478 0.192,479 0.212,481 0.379,485 0.993,486 1.276,487 0.647,488 0.945,489 1.126,490 0.842,491 1.116,492 0.858,493 0.658,494 0.711,495 0.717,496 0.699,497 1.077,498 1.25,499 0.865,500 0.957,501 0.934,502 0.93,503 0.913,504 1.282,505 1.275,506 1.379,507 0.848,508 1.286,509 0.984,510 1.047,511 1.249,512 1.124,513 1.168,514 1.162,515 0.805,516 0.736,517 0.788,518 0.861,519 0.776,520 0.911,521 1.308,522 0.761,523 1.168,524 0.895,525 1.027,526 0.859,527 0.859,528 1.14,529 0.973,530 1.201,531 0.832,532 1.114,533 5.5,534 0.136,535 3.111,536 2.188,537 1.862,538 0.819,539 0.427,540 0.38,541 0.287,542 0.217,543 6747,544 21445,545 2.015,546 41.9,548 13,551 5,555 1.681,556 1.852,557 3.298,558 2.647,559 1,560 1,564 75.174,565 1.748,566 3.826,567 4.423,568 4.833,569 4.926,570 5.066,571 2.713,572 4.484,573 4.618,574 3.446,575 1033.72,576 7.987,577 12491.4,579 1,581 1,582 233.329,583 1.516,584 4.555,585 0.204,586 0.009,587 0.082,588 0.052,589 0.05,590 0.029,591 0.016,592 0.015,593 0.011,594 0.01,595 0.479,596 0.17,597 1,598 0.942,599 120.291,600 -0.157,601 -0.053,602 0.002,603 0.012,604 -0.263,605 0.05,606 -0.056,607 0.231,608 0.118,609 0.257,610 0.109,611 0.226,612 -0.128,613 -0.129,614 0.012,615 0.025,616 -0.1,617 -0.007,618 0.083,619 -0.242,620 -0.128,621 -0.351,622 0.133,623 -0.326,624 -0.087,625 -0.092,626 -0.197,627 -0.132,628 -0.206,629 -0.165,630 0.059,631 0.19,632 0.133,633 0.106,634 0.103,635 0.101,636 -0.106,637 0.102,638 0.03,639 0.154,640 -0.049,641 0.166,642 0.085,643 -0.176,644 0.044,645 -0.162,646 0.074,647 -0.106,648 1.548,649 2.39,650 0.64,651 20.125,652 1.016,653 1.134,654 2.482,655 6.161,656 0.677,657 3.332,658 3.664,659 3.951,660 4.205,661 4.407,662 4.466,663 4.466,664 4.522,665 4.615,666 4.673,667 5.998,668 0.652,669 359.85,670 3.332,671 4.875,672 5.733,673 6.619,674 7.492,675 8.382,676 9.26,677 10.152,678 11.032,679 11.925,680 11.6,684 2,685 1,690 2,694 2,695 5,696 2,700 7,702 17,711 2,712 1,716 2,717 1,718 43,719 17,720 2,721 27,723 45,724 17,725 14,726 7,727 5,729 3,730 4,731 1,741 14,742 3,753 1,754 1,757 18,758 7,759 5,760 8,761 1,764 5,769 0.667,770 2,776 1,781 3,785 1,802 2,806 2,807 1,810 25,811 2,816 1,817 1,818 2,828 1,829 4.7,834 2,836 13.5,837 8.21,838 5.639,839 2.166,840 3.427,841 1.478,842 0.99,843 5.247,844 10.605,845 3.597,846 4.263,847 4.898,848 5.503,849 6.071,850 6.346,851 6.619,852 6.956,853 7.342,854 7.482,855 0.857,856 42,857 9.137,859 3.794,860 7.824,861 17.087,863 13.455,865 2.324,866 58.111,869 1,870 153.024,871 100.127,872 117.376,873 39.149,874 22,877 100.127,878 214.173,879 117.376,880 21.766,881 2.106,882 113.176,883 51.582,884 46.647,885 4.227,886 153.024,887 39.149,888 153.024,889 217.503,890 22,891 39.149,893 153.024,894 22,897 6.149,898 159.772,899 90.73,901 153.024,902 139.376,903 139.276,906 153.024,907 30.98,908 69.147,909 18.011,910 160.514,911 153.024,912 139.376,913 139.276,915 0.581,916 0.356,917 0.194,918 0.102,919 18,920 9,921 0.111,922 5,923 1,924 1.125,925 3.6,926 205.324,927 0.125,928 16,929 116.096,933 17.698,934 7.412,935 3.62,936 1.2,937 139.376,938 9.199,939 8.127,943 3.929,945 83.805,946 431.676,947 35.5,956 43.673,957 48.761,958 0.322,959 0.705,960 0.815,961 0.891,962 0.908,963 0.934,964 4.83,965 1.343,966 5.733,967 4.305,968 4.344,969 4.949,970 1.573,971 6.567,972 4.212,973 6.067,974 0.823,975 7.313,976 3.51,977 4.007,978 4.913,980 7.526,981 3.807,982 7.399,983 0.711,984 8.989,985 1.876,986 5.964,987 7.258,988 1.27,989 10.623,990 5.733,991 8.77,992 0.341,993 10.722,994 1.275,995 6.415,996 8.015,998 12.392,999 6.109,1000 10.169,1001 0.054,1002 12.492,1003 0.488,1004 7.862,1005 9.867,1006 1.022,1007 15.034,1008 7.536,1009 11.59,1010 -0.116,1011 14.287,1012 0.12,1013 8.682,1014 11.007,1016 17.159,1017 8.282,1018 13.029,1019 -0.41,1020 16.102,1021 -0.3,1022 9.934,1023 12.659,1024 0.818,1025 19.646,1026 9.509,1027 3.212,1028 -0.527,1029 17.932,1030 -0.855,1031 10.928,1032 13.993,1034 21.929,1035 10.436,1036 2.905,1037 11.231,1038 19.775,1039 -1.183,1040 12.106,1041 15.562,1042 0.65,1043 24.362,1044 11.58,1045 2.537,1046 9.174,1047 21.63,1048 4.616,1049 13.182,1050 16.992,1052 26.716,1053 12.595,1054 2.24,1055 7.845,1056 23.493,1057 3.911,1058 14.336,1059 18.528,1060 0.511,1061 29.131,1062 13.707,1063 2.054,1064 6.492,1065 25.364,1066 3.408,1067 15.45,1068 20.005,1070 31.517,1071 14.764,1072 1.982,1073 5.916,1074 27.242,1075 2.862,1076 16.597,1077 21.53,1078 0.399,1079 33.929,1080 15.865,1081 1.623,1082 5.795,1083 29.126,1084 2.855,1085 17.731,1086 23.03,1088 36.329,1089 16.943,1090 6663,1091 12005,1092 17.512,1093 29.125,1094 39.652,1095 41.167,1096 42.086,1097 39.734,1098 39.649,1099 52.866,1100 4.755,1101 116.055,1102 36.752,1103 5.496,1104 5.43,1105 6.403,1106 5.237,1107 5.212,1108 7.616,1109 1.72,1110 18.468,1111 5.047,1112 14.243,1113 1.469,1114 1.525,1115 1.559,1116 1.472,1117 1.468,1118 1.958,1119 0.176,1120 4.298,1121 1.361,1122 4.079,1123 4.109,1124 4.137,1125 3.998,1126 5.315,1127 4.005,1128 3.917,1129 3.937,1130 3.874,1131 3.82,1132 4.99,1133 3.829,1134 3.54,1135 3.603,1136 3.583,1137 3.354,1138 4.93,1139 3.377,1140 3.325,1141 3.374,1142 3.3,1143 3.038,1144 4.834,1145 3.063,1146 3.204,1147 3.29,1148 3.185,1149 2.984,1150 4.604,1151 2.99,1152 3.138,1153 3.236,1154 3.057,1155 2.898,1156 4.441,1157 2.914,1158 3.119,1159 3.215,1160 2.923,1161 2.862,1162 4.246,1163 2.851,1164 2.838,1165 2.905,1166 2.885,1167 2.682,1168 4.097,1169 2.678,1170 0.172,1171 0.127,1172 0.253,1173 0.154,1174 0.119,1175 4.654,1176 0.171,1177 3.43,1178 0.032,1179 6.835,1180 0.416,1181 4.165,1182 0.113,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.047,1188 2.017,1189 1.995,1190 2.061,1191 2.121,1192 1.238,1193 2.108,1194 1.871,1195 1.853,1196 1.96,1197 1.997,1198 1.064,1199 1.985,1200 1.468,1201 1.409,1202 1.625,1203 1.693,1204 0.742,1205 1.681,1206 1.24,1207 1.181,1208 1.59,1209 1.568,1210 0.586,1211 1.571,1212 1.157,1213 1.075,1214 1.535,1215 1.46,1216 0.556,1217 1.484,1218 1.115,1219 1.028,1220 1.386,1221 1.384,1222 0.344,1223 1.396,1224 1.03,1225 0.951,1226 1.277,1227 1.378,1228 0.185,1229 1.367,1230 0.831,1231 0.763,1232 1.106,1233 1.021,1234 0.039,1235 1.051,1236 4.007,1238 5.333,1240 6.868,1242 8.504,1244 10.193,1246 3.221,1247 6.501,1250 11.568,1252 0.46,1253 3.296,1254 10.609,1262 28.052,1263 75.174,1264 164.5,1265 190.21,1266 207.82,1267 211.82,1268 217.82,1269 39.291,1270 7.178,1271 108.31,1272 108.31,1273 18,1274 12.454,1275 4.17,1276 3.248,1277 41.794,1278 91,1279 83,1280 0.229,1281 178.538,1282 299.55,1283 427.392,1284 12143,1285 2.3,1286 17.974,1287 0.719,1288 0.584,1289 18.474,1290 14.593,1291 12.028,1292 0.445,1293 0.291,1294 7.368,1295 11.175,1296 7.115,1297 5.939,1298 12.317,1299 7.869,1300 10.681,1301 0.281,1302 0.15,1303 11.014,1304 5.698,1305 9.198,1306 0.18,1307 0.083,1308 9.626,1309 4.234,1310 7.811,1311 0.118,1312 0.044,1313 8.278,1314 2.876,1315 5.851,1316 0.072,1317 0.022,1318 6.074,1319 1.801,1320 0.357,1321 79.425,1322 0.239,1323 24.115,1324 0.632,1325 130,1326 413.922,1327 159.38,1328 428.042,1329 577.59,1330 400,1331 154,1332 404.968,1333 181.025,1334 422.858,1335 616.71,1336 394,1337 7.357}
{0 CHEMBL88555,1 1.77,2 10.963,3 2.963,4 8.776,5 107.462,6 8.295,7 0.586,8 3.972,9 4.088,10 3.612,11 3.43,12 5.183,13 3.447,14 4.456,15 4.618,16 3.973,17 3.784,18 5.622,19 3.789,20 4.576,21 4.711,22 4.178,23 3.967,24 5.77,25 3.957,26 4.739,27 4.894,28 4.231,29 4.02,30 5.986,31 3.973,32 4.843,33 5.047,34 3.895,35 3.973,36 5.885,37 3.883,38 4.747,39 4.98,40 3.744,41 3.859,42 5.761,43 3.74,44 4.68,45 4.964,46 3.614,47 3.758,48 5.532,49 3.613,50 4.444,51 4.684,52 3.755,53 3.58,54 5.498,55 3.522,56 0.142,57 0.691,58 8.664,59 3.77,60 13.675,61 4.649,62 0.48,63 1.001,64 18.127,65 6.43,66 35.289,67 7.819,68 0.493,69 1.17,70 18.801,71 7.042,72 27.396,73 8.82,74 0.669,75 1.241,76 27.843,77 8.782,78 50.269,79 11.42,80 0.816,81 1.26,82 33.189,83 9.496,84 62.09,85 12.155,86 0.709,87 1.158,88 27.863,89 8.586,90 56.661,91 11.541,92 0.546,93 0.992,94 33.103,95 9.158,96 48.009,97 13.106,98 0.5,99 0.837,100 23.022,101 6.906,102 39.575,103 9.466,104 46,105 41,106 0.303,107 0.645,108 0.732,109 0.778,110 0.788,111 0.818,112 3.34,113 0.869,114 -3.2,115 -3.19,116 -3.06,119 38.3,124 3,125 1,139 4,140 2,141 5,143 1,144 1,147 1,157 2,158 2,159 2,166 2,169 1,170 5,172 3,173 3,175 4,178 6,180 1,181 2,182 3,187 1,189 2,192 1,193 7,195 1,196 3,197 1,198 8,200 2,201 3,204 5,205 1,207 1,210 1,212 2,215 2,218 2,221 2,224 2,225 1,226 2,228 1,229 6,231 2,234 3,246 11,250 1,251 2,253 1,256 2,260 3,273 1015,274 18.196,275 18.196,276 18.196,277 18.196,278 18.196,279 16.062,280 26.444,281 10.393,282 19.026,283 14.076,284 14.076,285 14.076,286 14.076,287 14.076,288 10.65,289 38.367,290 4.61,291 15.193,292 3.784,293 1.786,294 1.277,295 1.006,296 0.947,297 0.772,298 4.018,299 1,300 1,301 1,302 1,303 621,304 3.162,307 237.221,311 125.42,314 1.525,315 28.971,318 1,319 1,320 1,321 0.8,323 1,324 1,325 0.83,326 59.833,327 296,328 4.654,329 3.43,330 6.835,331 4.165,332 3.212,333 4.616,334 0.86,335 11.231,336 3.047,337 4.42,338 3.371,339 6.523,340 4.004,341 3.061,342 4.104,343 0.86,344 10.257,345 2.881,346 3.91,347 2.798,348 5.804,349 3.494,350 2.555,351 3.412,352 0.86,353 7.875,354 2.394,355 3.565,356 2.555,357 5.289,358 3.193,359 2.255,360 2.883,361 0.657,362 6.728,363 2.108,364 3.452,365 2.515,366 5.19,367 2.98,368 2.061,369 2.859,371 6.118,372 1.909,373 3.372,374 2.195,375 5.095,376 2.972,377 2.038,378 2.694,380 5.902,381 1.867,382 3.355,383 2.063,384 5.006,385 2.915,386 1.97,387 2.604,389 5.788,390 1.853,391 2.707,392 1.971,393 4.248,394 2.25,395 1.365,396 1.778,398 3.553,399 1.15,400 2.246,401 1.859,402 3.809,403 2.008,404 1.17,405 1.23,407 2.537,408 0.976,409 1.968,410 1.097,411 3.31,412 1.707,413 0.786,414 0.901,415 1.744,416 0.711,417 1.576,418 0.93,419 2.859,420 1.27,421 0.396,422 0.452,423 0.603,424 0.342,425 1.446,426 0.916,427 2.838,428 1.171,429 0.328,430 0.352,431 0.445,432 0.273,433 1.334,434 0.509,435 2.809,436 0.972,437 0.054,438 0.067,439 0.12,440 0.047,441 1.188,442 0.203,443 2.594,444 0.716,445 -0.116,446 -0.142,448 -0.3,449 -0.084,450 0.936,451 0.048,452 2.486,453 0.522,454 -0.398,455 -0.493,457 -0.81,458 -0.36,459 12.714,460 0.471,461 0.695,462 0.026,463 37.25,464 1.38,465 19,466 0.704,467 18.25,468 0.676,469 20.972,470 0.777,471 29.886,472 0.636,473 29.025,474 1.075,475 7.739,476 0.287,477 5.238,478 0.194,479 0.237,481 0.393,485 0.992,486 1.349,487 0.656,488 1.031,489 1.104,490 0.888,491 1.233,492 0.807,493 0.664,494 0.643,495 0.813,496 0.628,497 0.943,498 1.274,499 0.838,500 0.974,501 0.897,502 0.922,503 0.774,504 1.311,505 1.176,506 1.414,507 0.712,508 1.269,509 1.444,510 1.052,511 1.329,512 1.091,513 1.361,514 1.17,515 1.097,516 0.858,517 1.036,518 0.984,519 1.043,520 1.149,521 0.746,522 0.747,523 1.003,524 0.874,525 0.756,526 0.841,527 0.653,528 0.875,529 0.58,530 0.868,531 0.543,532 0.737,533 6,534 0.206,535 3.333,536 2.75,537 2.333,538 0.882,539 0.384,540 0.451,541 0.283,542 0.298,543 8309,544 27067,545 1.992,546 42.6,548 15,551 5,555 1.7,556 1.82,557 3.389,558 2.584,559 1,560 1,564 83.204,565 1.77,566 3.769,567 4.277,568 4.549,569 4.607,570 4.783,571 2.834,572 4.282,573 4.731,574 3.549,575 1245.77,576 8.205,577 16015.3,579 1,581 1,582 261.066,583 1.541,584 4.659,585 0.207,586 0.009,587 0.081,588 0.059,589 0.053,590 0.027,591 0.015,592 0.018,593 0.01,594 0.011,595 0.49,596 0.17,597 1,598 1.011,599 133.844,600 -0.148,601 -0.105,602 0.009,603 -0.038,604 -0.242,605 0.027,606 -0.12,607 0.273,608 0.141,609 0.334,610 0.061,611 0.304,612 0.02,613 -0.111,614 0.037,615 0.035,616 -0.051,617 0.007,618 0.21,619 -0.244,620 -0.059,621 -0.362,622 0.253,623 -0.298,624 -0.3,625 -0.102,626 -0.296,627 -0.102,628 -0.324,629 -0.205,630 -0.151,631 0.11,632 -0.15,633 -0.034,634 -0.166,635 -0.176,636 0.017,637 0.082,638 0.133,639 0.156,640 0.055,641 0.246,642 0.249,643 0.012,644 0.399,645 0.14,646 0.349,647 0.306,648 1.556,649 2.409,650 0.593,651 22.733,652 1.019,653 1.136,654 1.966,655 3.866,656 0.667,657 3.401,658 3.738,659 4.043,660 4.317,661 4.5,662 4.533,663 4.543,664 4.625,665 4.71,666 4.771,667 6.429,668 0.645,669 389.88,670 3.401,671 4.949,672 5.814,673 6.708,674 7.587,675 8.484,676 9.367,677 10.264,678 11.149,679 12.046,680 10.6,684 2,685 1,690 2,694 2,695 4,696 2,700 8,702 17,711 2,712 1,716 3,717 1,718 47,719 17,720 2,721 29,723 49,724 18,725 14,726 8,727 4,729 3,730 4,731 1,741 14,742 4,754 1,757 20,758 8,759 5,760 9,761 1,764 5,769 0.667,770 3,776 1,781 3,785 1,802 2,806 3,807 1,810 27,811 2,816 1,817 1,818 3,828 1,829 6.4,834 3,836 14.833,837 9.293,838 6.167,839 2.326,840 3.389,841 1.462,842 0.974,843 5.987,844 10.723,845 3.651,846 4.317,847 4.963,848 5.577,849 6.129,850 6.408,851 6.678,852 7.006,853 7.379,854 7.537,855 1,856 47,857 9.871,859 4.077,860 7.844,861 18.396,863 14.347,865 2.344,866 63.278,869 1,870 176.567,871 106.777,872 117.376,873 39.149,874 33,877 106.777,878 248.715,879 117.376,880 32.649,881 2.106,882 103.699,883 51.582,884 62.89,885 4.227,886 176.567,887 39.149,888 176.567,889 224.153,890 33,891 39.149,893 176.567,894 33,897 6.149,898 166.423,899 90.73,901 176.567,902 150.376,903 145.926,906 176.567,907 36.223,908 70.554,909 18.011,910 171.514,911 176.567,912 150.376,913 145.926,915 0.578,916 0.365,917 0.208,918 0.107,919 19,920 10,921 0.122,922 6,923 1,924 1.125,925 3.724,926 228.859,927 0.125,928 16,929 120.382,933 19.601,934 8.247,935 3.924,936 1.177,937 150.376,938 7.298,939 8.135,943 4.076,945 83.805,946 472.868,947 37.5,956 47.883,957 53.385,958 0.319,959 0.679,960 0.77,961 0.819,962 0.829,963 0.861,964 4.892,965 1.365,966 5.82,967 5.788,968 4.419,969 5.004,970 1.841,971 6.673,972 4.276,973 6.132,974 1.17,975 7.412,976 3.553,977 4.111,978 5.007,980 7.67,981 3.909,982 7.471,983 0.786,984 9.101,985 2.537,986 6.057,987 7.323,988 1.538,989 10.778,990 5.811,991 8.849,992 0.396,993 10.846,994 1.744,995 6.538,996 8.113,998 12.575,999 6.221,1000 10.256,1001 0.328,1002 12.627,1003 0.603,1004 7.978,1005 9.943,1006 1.278,1007 15.224,1008 7.631,1009 11.684,1010 0.054,1011 14.433,1012 0.445,1013 8.823,1014 11.105,1016 17.364,1017 8.402,1018 13.129,1019 -0.116,1020 16.257,1021 0.12,1022 10.074,1023 12.745,1024 1.053,1025 19.854,1026 9.621,1027 3.212,1028 -0.398,1029 18.097,1030 -0.3,1031 11.087,1032 14.09,1034 22.142,1035 10.565,1036 3.061,1037 11.231,1038 19.949,1039 -0.81,1040 12.268,1041 15.651,1042 0.858,1043 24.574,1044 11.707,1045 2.555,1046 10.257,1047 21.811,1048 4.616,1049 13.357,1050 17.085,1052 26.925,1053 12.732,1054 2.255,1055 7.875,1056 23.68,1057 4.104,1058 14.514,1059 18.615,1060 0.691,1061 29.335,1062 13.844,1063 2.061,1064 6.728,1065 25.557,1066 3.412,1067 15.636,1068 20.091,1070 31.714,1071 14.907,1072 2.038,1073 6.118,1074 27.439,1075 2.883,1076 16.786,1077 21.611,1078 0.549,1079 34.118,1080 16.008,1081 1.97,1082 5.902,1083 29.326,1084 2.859,1085 17.924,1086 23.108,1088 36.51,1089 17.09,1090 8238,1091 14996,1092 18.611,1093 31.341,1094 42.386,1095 44.354,1096 45.749,1097 42.532,1098 42.501,1099 55.903,1100 6.475,1101 125.8,1102 39.115,1103 5.49,1104 5.43,1105 6.378,1106 5.237,1107 5.212,1108 7.616,1109 1.72,1110 18.467,1111 5.047,1112 16.525,1113 1.462,1114 1.529,1115 1.578,1116 1.467,1117 1.466,1118 1.928,1119 0.223,1120 4.338,1121 1.349,1122 4.08,1123 4.109,1124 4.138,1125 3.998,1126 5.316,1127 4.005,1128 3.929,1129 3.942,1130 3.897,1131 3.821,1132 4.992,1133 3.836,1134 3.547,1135 3.609,1136 3.585,1137 3.356,1138 4.978,1139 3.38,1140 3.303,1141 3.362,1142 3.314,1143 3.043,1144 4.838,1145 3.065,1146 3.296,1147 3.355,1148 3.167,1149 3.006,1150 4.58,1151 3.026,1152 3.207,1153 3.286,1154 3.144,1155 2.949,1156 4.471,1157 2.953,1158 3.137,1159 3.236,1160 2.984,1161 2.896,1162 4.441,1163 2.897,1164 3.068,1165 3.164,1166 2.923,1167 2.821,1168 4.328,1169 2.824,1170 0.16,1171 0.118,1172 0.236,1173 0.144,1174 0.111,1175 4.654,1176 0.159,1177 3.43,1178 0.03,1179 6.835,1180 0.387,1181 4.165,1182 0.105,1183 3.212,1184 4.616,1185 0.86,1186 11.231,1187 3.047,1188 2.017,1189 1.995,1190 2.061,1191 2.121,1192 1.238,1193 2.108,1194 1.866,1195 1.855,1196 1.94,1197 2.002,1198 1.065,1199 1.982,1200 1.47,1201 1.412,1202 1.631,1203 1.703,1204 0.743,1205 1.688,1206 1.227,1207 1.163,1208 1.59,1209 1.558,1210 0.584,1211 1.565,1212 1.224,1213 1.156,1214 1.57,1215 1.523,1216 0.572,1217 1.535,1218 1.163,1219 1.076,1220 1.526,1221 1.487,1222 0.556,1223 1.503,1224 1.08,1225 1.008,1226 1.362,1227 1.384,1228 0.339,1229 1.367,1230 1.015,1231 0.92,1232 1.276,1233 1.319,1234 0.09,1235 1.347,1236 4.078,1238 5.407,1240 6.95,1242 8.597,1244 10.298,1246 4.688,1247 6.52,1250 11.593,1252 0.442,1253 3.292,1254 16.057,1262 30.293,1263 83.204,1264 177.138,1265 201.027,1266 213.781,1267 216.536,1268 224.801,1269 46.511,1270 7.334,1271 117.54,1272 117.54,1273 18,1274 12.572,1275 4.17,1276 3.248,1277 47.089,1278 107,1279 93,1280 0.221,1281 192.126,1282 325.64,1283 460.548,1284 14587,1285 2.1,1286 19.552,1287 0.724,1288 0.59,1289 20.052,1290 15.924,1291 12.977,1292 0.447,1293 0.29,1294 7.856,1295 11.977,1296 7.558,1297 6.328,1298 13.266,1299 8.398,1300 11.411,1301 0.278,1302 0.147,1303 11.745,1304 6.045,1305 9.889,1306 0.177,1307 0.08,1308 10.317,1309 4.506,1310 8.675,1311 0.117,1312 0.042,1313 9.142,1314 3.114,1315 6.547,1316 0.074,1317 0.022,1318 6.77,1319 1.983,1320 0.347,1321 86.232,1322 0.232,1323 25.796,1324 0.604,1325 140,1326 469.658,1327 172.259,1328 474.427,1329 638.66,1330 444,1331 167,1332 446.513,1333 197.679,1334 464.749,1335 679.21,1336 431,1337 8.229}
{0 CHEMBL89528,1 1.623,2 9.955,3 3.072,4 9.435,5 89.406,6 8.508,7 0.708,8 3.732,9 3.868,10 3.405,11 3.268,12 4.931,13 3.263,14 4.196,15 4.375,16 3.789,17 3.633,18 5.39,19 3.61,20 4.398,21 4.589,22 3.83,23 3.762,24 5.558,25 3.71,26 4.452,27 4.675,28 3.643,29 3.721,30 5.525,31 3.624,32 4.454,33 4.71,34 3.49,35 3.634,36 5.465,37 3.519,38 4.375,39 4.656,40 3.402,41 3.532,42 5.316,43 3.395,44 4.134,45 4.37,46 3.291,47 3.39,48 5.134,49 3.27,50 3.944,51 4.168,52 3.269,53 3.212,54 5.119,55 3.135,56 0.067,57 0.606,58 6.29,59 2.661,60 10.739,61 3.468,62 0.203,63 0.907,64 12.107,65 4.597,66 19.53,67 6.153,68 0.3,69 1.051,70 17.197,71 5.563,72 28.089,73 7.351,74 0.243,75 1.038,76 19.266,77 6.598,78 29.893,79 9.11,80 0.296,81 0.999,82 19.054,83 6.3,84 36.113,85 9.05,86 0.323,87 0.859,88 19.813,89 6.279,90 34.44,91 8.987,92 0.216,93 0.67,94 19.476,95 5.336,96 23.951,97 7.226,98 0.214,99 0.612,100 11.172,101 3.347,102 25.059,103 4.623,104 17,105 34,106 0.291,107 0.647,108 0.769,109 0.844,110 0.844,111 0.844,112 3.146,113 0.882,114 -4.11,115 -4.06,116 -3.84,119 40.5,124 1,125 1,139 6,141 2,143 3,144 1,147 1,157 2,158 2,159 2,166 3,169 1,170 4,172 3,173 3,178 4,181 3,182 5,184 1,185 1,189 4,193 2,195 1,196 1,197 1,198 2,200 2,204 2,205 1,207 4,209 1,210 1,212 2,215 2,218 2,220 2,221 2,223 1,224 1,229 4,241 2,246 5,248 1,249 1,251 2,254 1,256 2,260 4,265 2,268 1,270 2,273 608,274 14.533,275 14.533,276 14.533,277 14.533,278 14.533,279 12.445,280 18.153,281 8.432,282 15.002,283 11.832,284 11.832,285 11.832,286 11.832,287 11.832,288 8.733,289 23.87,290 4.035,291 12.674,292 3.587,293 1.605,294 0.926,295 0.507,296 0.507,297 0.507,298 3.824,299 1,300 1,301 1,302 1,303 469,304 2.739,307 183.676,311 95.805,314 1.417,315 17.791,316 1,317 1,318 1,319 1,320 1,321 0.6,323 1,324 1,325 0.8,326 47.333,327 219,328 4.542,329 3.184,330 6.503,331 4.036,332 3.083,333 4.491,334 0.916,335 10.18,336 2.937,337 4.119,338 3.065,339 6.054,340 3.774,341 2.83,342 3.673,343 0.172,344 8.698,345 2.668,346 3.782,347 2.86,348 5.31,349 3.351,350 2.414,351 3.241,353 6.86,354 2.265,355 3.551,356 2.489,357 5.063,358 3.109,359 2.219,360 2.856,362 5.996,363 1.931,364 3.427,365 2.17,366 5.018,367 2.958,368 2.027,369 2.811,371 5.798,372 1.879,373 3.345,374 2.035,375 4.955,376 2.883,377 1.94,378 2.662,380 5.715,381 1.797,382 2.515,383 1.51,384 4.029,385 2.185,386 1.258,387 1.518,389 3.317,390 1.137,391 2.5,392 1.058,393 3.708,394 2,395 1.005,396 1.5,398 2.565,399 1,400 2.441,401 1,402 3.414,403 1.951,404 1,405 1.418,407 2.275,408 0.947,409 1.504,410 0.482,411 2.896,412 1.119,413 0.184,414 0.231,415 0.462,416 0.17,417 1.084,418 0.288,419 2.659,420 0.633,421 -0.217,422 -0.267,423 -0.485,424 -0.15,425 0.975,426 -0.199,427 2.504,428 0.497,429 -0.414,430 -0.517,431 -1.079,432 -0.374,433 0.73,434 -0.307,435 2.247,436 0.396,437 -0.515,438 -0.614,439 -1.297,440 -0.465,441 0.512,442 -0.719,443 2,444 0.132,445 -0.815,446 -1.09,448 -2.212,449 -0.77,450 0.5,451 -0.78,452 1.885,454 -1,455 -1.251,457 -2.672,458 -0.922,459 10.614,460 0.482,461 0.647,462 0.029,463 32.5,464 1.477,465 17.5,466 0.795,467 15,468 0.682,469 14.244,470 0.647,471 22.986,472 0.621,473 22.05,474 1.002,475 6.473,476 0.294,477 4.052,478 0.184,479 0.19,481 0.367,485 0.985,486 1.347,487 0.62,488 0.874,489 1.162,490 0.809,491 0.759,492 1.024,493 0.615,494 0.791,495 0.452,496 0.768,497 1.112,498 1.025,499 1.05,500 1.009,501 0.922,502 1.028,503 0.846,504 1.192,505 0.956,506 1.202,507 0.732,508 1.183,509 0.783,510 1.047,511 0.759,512 1.057,513 0.959,514 1.117,515 0.773,516 0.671,517 0.746,518 0.776,519 0.887,520 0.89,521 1.177,522 1,523 1.466,524 1.19,525 1.019,526 1.075,527 1.105,528 1.001,529 0.94,530 0.97,531 1.271,532 1.049,533 5.5,534 0.124,535 2.667,536 1.563,537 1.56,538 0.556,539 0.384,540 0.326,541 0.209,542 0.107,543 5036,544 16074,545 2.043,546 40.5,548 11,551 4,555 1.642,556 1.886,557 3.279,558 1.914,559 1,560 1,562 1,564 60.033,565 1.623,566 3.604,567 4.283,568 4.703,569 4.703,570 4.703,571 2.716,572 4.187,573 4.432,574 3.39,575 783.141,576 7.596,577 8575.88,578 1,579 1,580 1,581 1,582 192.75,583 1.495,584 4.376,585 0.229,586 0.014,587 0.078,588 0.046,589 0.056,590 0.024,591 0.019,592 0.017,593 0.012,594 0.008,595 0.503,596 0.33,597 1,598 0.65,599 101.475,600 -0.177,601 -0.145,603 0.025,604 -0.303,605 0.045,606 0.129,607 0.099,608 0.118,609 0.124,610 0.256,611 0.127,612 -0.097,613 0.068,614 -0.17,615 -0.086,616 -0.071,617 -0.136,618 -0.018,619 -0.209,620 -0.125,621 -0.238,622 0.071,623 -0.209,624 0.003,625 -0.092,626 -0.036,627 -0.124,628 -0.09,629 -0.135,630 0.069,631 0.222,632 0.114,633 0.199,634 -0.038,635 0.139,636 -0.155,637 -0.126,638 -0.185,639 -0.111,640 -0.093,641 -0.023,642 -0.089,643 0.035,644 -0.074,645 -0.057,646 -0.149,647 -0.135,648 1.516,649 1.863,650 0.727,651 16.545,652 1.01,653 1.135,654 2.88,655 8.292,656 0.695,657 3.219,658 3.555,659 3.784,660 4.025,661 4.263,662 4.263,663 4.29,664 4.357,665 4.466,666 4.369,667 5.677,668 0.665,669 314.81,670 3.219,671 4.762,672 5.602,673 6.479,674 7.335,675 8.213,676 9.076,677 9.954,678 10.82,679 11.699,680 16.2,684 2,686 1,690 3,694 2,695 6,696 3,700 5,702 17,711 2,714 1,717 1,718 37,719 17,720 1,721 24,723 39,724 15,725 13,726 2,727 4,729 3,730 4,731 1,741 13,742 2,753 1,754 1,757 15,758 6,759 4,760 7,761 1,764 6,769 0.667,775 1,776 1,781 3,785 1,802 2,806 1,807 1,810 22,811 2,816 1,821 1,828 1,836 11.667,837 6.86,838 4.75,839 1.936,840 3.258,841 1.474,842 1.013,843 4.007,844 10.129,845 3.512,846 4.174,847 4.769,848 5.369,849 5.97,850 6.188,851 6.496,852 6.849,853 7.258,854 7.263,855 0.857,856 34,857 8.03,859 3.356,860 7.785,861 15.121,863 12.084,865 2.285,866 50.278,870 129.482,871 84.889,872 119.275,873 39.149,877 84.889,878 168.631,879 119.275,880 8.396,881 2.106,882 122.652,883 50.357,884 16.427,885 4.227,886 129.482,887 39.149,888 129.482,889 204.164,891 39.149,893 129.482,897 11.05,898 142.758,899 89.505,901 129.482,902 119.275,903 124.038,906 129.482,907 19.635,908 68.378,910 155.3,911 129.482,912 119.275,913 124.038,915 0.591,916 0.337,917 0.176,918 0.1,919 17,920 8,921 0.077,922 3,923 1,924 1.125,925 3.42,926 170.203,927 0.125,928 16,929 94.107,933 14.818,934 5.949,935 3.235,936 1.208,937 119.275,938 11.386,939 12.59,943 3.067,945 65.794,946 372.795,947 32.5,956 37.353,957 42.01,958 0.311,959 0.692,960 0.822,961 0.903,962 0.903,963 0.903,964 4.738,965 1.005,966 5.602,967 3.317,968 4.234,969 4.86,970 0.918,971 6.395,972 4.104,973 5.972,974 1,975 7.155,976 2.565,977 3.892,978 4.745,979 0.325,980 7.235,981 3.653,982 7.289,983 0.184,984 8.801,985 2.275,986 5.82,987 7.13,988 0.671,989 10.302,990 5.578,991 8.638,992 -0.217,993 10.499,994 0.462,995 6.217,996 7.783,997 0.393,998 11.928,999 5.88,1000 10.014,1001 -0.414,1002 12.23,1003 -0.485,1004 7.662,1005 9.679,1006 0.533,1007 14.527,1008 7.319,1009 11.41,1010 -0.515,1011 13.984,1012 -1.079,1013 8.414,1014 10.73,1015 0.384,1016 16.515,1017 7.994,1018 12.822,1019 -0.815,1020 15.756,1021 -1.297,1022 9.658,1023 12.407,1024 0.438,1025 18.936,1026 9.219,1027 3.083,1028 -1,1029 17.543,1030 -2.212,1031 10.589,1032 13.674,1033 0.351,1034 21.096,1035 10.085,1036 2.83,1037 10.18,1038 19.342,1039 -2.672,1040 11.747,1041 15.249,1042 0.366,1043 23.446,1044 11.214,1045 2.414,1046 8.698,1047 21.15,1048 4.491,1049 12.768,1050 16.631,1051 0.312,1052 25.685,1053 12.178,1054 2.219,1055 6.86,1056 22.967,1057 3.673,1058 13.892,1059 18.16,1060 0.309,1061 28.009,1062 13.266,1063 2.027,1064 5.996,1065 24.791,1066 3.241,1067 14.957,1068 19.601,1069 0.273,1070 30.286,1071 14.278,1072 1.94,1073 5.798,1074 26.621,1075 2.856,1076 16.069,1077 21.111,1078 0.262,1079 32.601,1080 15.349,1081 1.258,1082 5.715,1083 28.456,1084 2.811,1085 17.157,1086 22.582,1087 0.236,1088 34.896,1089 16.387,1090 4911,1091 8882,1092 15.72,1093 25.699,1094 36.367,1095 36.396,1096 37.234,1097 36.147,1098 35.922,1099 48.8,1100 2.178,1101 103.732,1102 33.463,1103 5.367,1104 5.184,1105 5.917,1106 5.109,1107 5.083,1108 7.491,1109 1.605,1110 17.074,1111 4.937,1112 11.665,1113 1.515,1114 1.517,1115 1.551,1116 1.506,1117 1.497,1118 2.033,1119 0.091,1120 4.322,1121 1.394,1122 4.056,1123 4.1,1124 4.042,1125 3.929,1126 5.323,1127 3.947,1128 3.905,1129 3.937,1130 3.978,1131 3.832,1132 4.989,1133 3.83,1134 3.547,1135 3.614,1136 3.54,1137 3.364,1138 4.944,1139 3.382,1140 3.315,1141 3.399,1142 3.345,1143 3.109,1144 4.774,1145 3.117,1146 3.115,1147 3.229,1148 3.03,1149 2.826,1150 4.397,1151 2.859,1152 2.916,1153 3.018,1154 2.994,1155 2.735,1156 4.202,1157 2.715,1158 2.854,1159 2.925,1160 2.71,1161 2.714,1162 3.935,1163 2.712,1164 2.766,1165 2.808,1166 2.687,1167 2.658,1168 3.895,1169 2.623,1170 0.189,1171 0.133,1172 0.271,1173 0.168,1174 0.128,1175 4.542,1176 0.187,1177 3.184,1178 0.038,1179 6.503,1180 0.424,1181 4.036,1182 0.122,1183 3.083,1184 4.491,1185 0.916,1186 10.18,1187 2.937,1188 1.974,1189 1.938,1190 2.041,1191 2.124,1192 1.164,1193 2.1,1194 1.881,1195 1.854,1196 1.965,1197 1.981,1198 1.049,1199 1.986,1200 1.487,1201 1.424,1202 1.679,1203 1.703,1204 0.801,1205 1.702,1206 1.269,1207 1.189,1208 1.515,1209 1.523,1210 0.544,1211 1.532,1212 1.008,1213 0.912,1214 1.291,1215 1.383,1216 0.311,1217 1.364,1218 0.92,1219 0.821,1220 1.268,1221 1.189,1222 0.218,1223 1.23,1224 0.886,1225 0.819,1226 1.181,1227 1.062,1228 0.045,1229 1.107,1230 0.738,1231 0.7,1232 0.924,1233 0.924,1235 0.939,1236 3.892,1238 5.22,1240 6.742,1242 8.353,1244 10.01,1246 1.984,1247 5.903,1250 11.445,1252 0.626,1257 2.068,1262 24.59,1263 60.033,1264 133.366,1265 158.485,1266 173.995,1267 173.995,1268 173.995,1269 28.295,1270 6.871,1271 93.95,1272 93.95,1273 18,1274 12.238,1275 4.17,1276 3.248,1277 34.62,1278 75,1279 76,1280 0.229,1281 158.155,1282 258.37,1283 377.658,1284 8161,1285 2.7,1286 15.69,1287 0.713,1288 0.579,1289 16.19,1290 12.749,1291 10.525,1292 0.439,1293 0.294,1294 6.613,1295 9.849,1296 6.395,1297 5.324,1298 10.814,1299 7.059,1300 9.89,1301 0.291,1302 0.159,1303 10.298,1304 5.406,1305 7.937,1306 0.185,1307 0.083,1308 8.226,1309 3.563,1310 6.558,1311 0.119,1312 0.043,1313 6.725,1314 2.34,1315 5.279,1316 0.075,1317 0.022,1318 5.493,1319 1.567,1320 0.359,1321 68.786,1322 0.252,1323 21.74,1324 0.628,1325 116,1326 333.408,1327 142.038,1328 363.663,1329 493.45,1330 338,1331 135,1332 351.468,1333 155.527,1334 369.346,1335 536,1336 346,1337 7.658}
{0 CHEMBL89641,1 1.708,2 14.097,3 1.984,4 3.936,5 110.567,6 8.323,7 0.515,8 4.048,9 4.146,10 3.667,11 3.539,12 5.353,13 3.563,14 4.517,15 4.65,16 4.022,17 3.91,18 5.941,19 3.906,20 4.813,21 4.989,22 4.074,23 4.045,24 6.079,25 4.019,26 4.887,27 5.084,28 3.98,29 3.991,30 6.151,31 3.958,32 4.822,33 5.026,34 3.956,35 3.914,36 6.215,37 3.879,38 4.702,39 4.883,40 3.918,41 3.846,42 6.268,43 3.814,44 4.636,45 4.825,46 3.758,47 3.789,48 6.052,49 3.741,50 4.534,51 4.754,52 3.635,53 3.656,54 5.756,55 3.61,56 0.232,57 0.741,58 8.68,59 4.303,60 34.985,61 4.77,62 0.539,63 1.147,64 15.213,65 6.909,66 87.025,67 8.479,68 0.723,69 1.4,70 24.294,71 9.11,72 106.807,73 11.421,74 0.935,75 1.398,76 28.744,77 9.301,78 142.569,79 11.609,80 1.003,81 1.262,82 28.195,83 9.257,84 171.392,85 12.017,86 1.042,87 1.148,88 23.587,89 8.325,90 166.548,91 10.384,92 0.789,93 1.072,94 22.158,95 7.926,96 133.583,97 9.908,98 0.567,99 0.975,100 21.094,101 7.093,102 83.344,103 9.431,104 46,105 45,106 0.284,107 0.665,108 0.812,109 0.891,110 0.898,111 0.898,112 3.471,113 0.85,114 -3.31,115 -3.3,116 -3.16,119 41.2,121 2,125 1,127 1,139 7,140 3,141 1,143 1,144 1,145 1,153 3,161 2,165 2,166 9,167 1,169 1,170 5,173 4,175 7,176 1,178 8,179 2,182 7,185 1,186 1,187 10,189 4,190 1,193 7,194 1,196 1,198 8,199 1,201 3,202 1,203 1,206 1,207 3,208 2,210 2,211 1,212 2,213 2,215 9,216 2,220 1,221 2,222 1,224 5,225 3,226 2,229 13,230 3,233 1,234 3,237 1,239 3,241 8,242 2,246 7,251 6,252 1,254 2,255 2,260 8,263 1,264 1,265 7,273 1637,274 20.43,275 20.43,276 20.43,277 20.43,278 20.43,279 17.913,280 21.61,281 12.067,282 20.7,283 16.25,284 16.25,285 16.25,286 16.25,287 16.25,288 12.413,289 26.003,290 5.726,291 16.673,292 3.964,293 1.678,294 0.792,295 0.314,296 0.275,297 0.275,298 4.151,301 1,302 1,303 915,304 4.472,307 312.808,311 168.417,314 2.352,315 50.689,318 1,319 0.83,320 0.83,321 0.6,323 0.83,324 0.5,325 0.66,326 70,327 437,328 4.51,329 3.777,330 6.478,331 4.014,332 3.043,333 4.455,334 2.375,335 10.064,336 2.958,337 4.207,338 3.592,339 6.116,340 3.886,341 2.892,342 3.771,343 2.341,344 8.889,345 2.868,346 3.898,347 3.52,348 5.832,349 3.645,350 2.656,351 3.17,352 1.061,353 7.911,354 2.615,355 3.741,356 3.131,357 5.38,358 3.412,359 2.434,360 3.088,361 0.657,362 7.029,363 2.371,364 3.623,365 2.759,366 5.203,367 3.227,368 2.243,369 2.944,370 0.14,371 6.531,372 2.202,373 3.523,374 2.491,375 5.028,376 3.174,377 2.169,378 2.786,380 5.686,381 2.151,382 3.401,383 2.15,384 4.645,385 2.904,386 1.966,387 2.686,389 5.12,390 1.838,391 2.921,392 2.123,393 4.202,394 2.454,395 1.47,396 2.114,398 3.764,399 1.432,400 2.872,401 1.9,402 4.052,403 2.357,404 1.418,405 1.923,407 3.477,408 1.324,409 2.5,410 1.451,411 3.625,412 2.145,413 1.133,414 1.5,415 2.627,416 1.128,417 2.481,418 1.104,419 3.414,420 2,421 1,422 1.373,423 2.275,424 1,425 2.384,426 1.056,427 3.383,428 1.898,429 0.938,430 1.33,431 2.184,432 0.897,433 1.9,434 1,435 3.221,436 1.628,437 0.681,438 0.8,439 1.628,440 0.642,441 1.57,442 0.913,443 2.831,444 1.34,445 0.339,446 0.383,448 0.766,449 0.333,450 1.287,451 0.548,452 2.518,453 0.872,454 -0.066,455 -0.084,457 -0.156,458 -0.061,459 14.1,460 0.455,461 0.843,462 0.027,463 41.5,464 1.339,465 21.5,466 0.694,467 20,468 0.645,469 22.923,470 0.739,471 33.9,472 0.665,473 34.876,474 1.125,475 8.571,476 0.276,477 6.258,478 0.202,479 0.142,481 0.355,485 0.879,486 1.224,487 0.758,488 0.978,489 0.773,490 0.854,491 0.481,492 1.176,493 0.787,494 1.1,495 0.442,496 1.04,497 0.887,498 1.18,499 0.997,500 1.107,501 0.884,502 1.089,503 1.162,504 1.034,505 1.166,506 1.026,507 1.139,508 1.076,509 0.908,510 0.933,511 0.935,512 0.946,513 0.965,514 0.952,515 0.756,516 0.77,517 0.978,518 0.957,519 0.798,520 1.024,521 0.936,522 0.994,523 1.071,524 1.059,525 0.928,526 1.1,527 0.889,528 1.02,529 0.896,530 0.985,531 0.857,532 0.951,533 7,534 0.181,535 3.778,536 1.5,537 1.889,538 1.09,539 0.425,540 0.476,541 0.369,542 0.142,543 14189,544 52108,545 1.993,546 39.2,548 10,550 1,551 5,552 2,553 2,555 1.73,556 1.842,557 3.747,558 2.445,559 1,560 1,564 87.107,565 1.708,566 3.995,567 4.88,568 5.359,569 5.398,570 5.398,571 3.256,572 4.567,573 4.927,574 3.977,575 1849.14,576 8.57,577 28399.9,579 1,581 1,582 289.294,583 1.492,584 4.869,585 0.212,586 0.009,587 0.084,588 0.033,589 0.047,590 0.028,591 0.011,592 0.015,593 0.013,594 0.005,595 0.457,596 0.17,597 0.88,598 1.673,599 165.723,600 -0.161,601 -0.033,602 -0.031,603 0.09,604 -0.123,605 0.074,606 0.197,607 -0.021,609 -0.063,610 0.184,611 -0.086,612 -0.077,613 -0.142,614 -0.09,615 -0.101,616 -0.086,617 -0.102,618 -0.203,619 -0.052,620 -0.178,621 -0.059,622 -0.187,623 -0.097,624 0.056,625 -0.006,626 0.086,627 0.044,628 0.04,629 0.068,630 0.239,631 0.202,632 0.003,633 0.035,634 0.214,635 -0.038,636 -0.01,637 -0.045,638 -0.096,639 -0.045,640 0.027,641 -0.084,642 -0.066,643 -0.085,644 0.111,645 0.017,646 -0.036,647 0.099,648 2.959,649 5.273,650 0.516,651 36.445,652 1.028,653 1.129,654 2.081,655 4.33,656 0.664,657 3.526,658 3.829,659 4.025,660 4.205,661 4.443,662 4.443,663 4.454,664 4.533,665 4.682,666 4.615,667 8.407,668 0.659,669 424.45,670 3.526,671 5.056,672 5.878,673 6.732,674 7.574,675 8.43,676 9.279,677 10.137,678 10.99,679 11.848,680 7.8,685 1,687 1,690 2,694 2,695 8,696 2,700 4,702 17,707 1,712 1,715 1,718 51,719 20,720 2,721 33,723 53,724 21,725 14,726 5,727 7,728 1,729 3,730 4,739 3,741 17,742 4,744 3,748 3,751 3,754 1,757 20,758 10,759 5,760 10,764 4,769 0.667,770 6,776 1,781 3,785 1,792 2,800 2,802 2,810 31,815 3,816 3,817 2,820 1,829 11.8,831 3,832 3,836 16.833,837 8.75,838 6.861,839 2.779,840 3.499,841 1.465,842 0.909,843 7.262,844 11.02,845 3.818,846 4.394,847 4.907,848 5.435,849 6.01,850 6.22,851 6.517,852 6.827,853 7.263,854 7.258,855 1,856 46,857 11.5,859 5.008,860 8.301,861 20.722,863 16.573,865 2.801,866 86.833,870 176.567,871 102.496,872 69.593,874 203.485,877 102.496,878 380.051,879 69.593,881 25.186,882 66.334,883 273.362,884 22.464,886 164.795,888 176.567,889 172.089,890 203.485,893 153.024,894 227.027,897 35.948,898 84.559,899 51.582,901 176.567,902 273.077,903 102.496,906 176.567,907 27.544,908 74.952,909 36.022,910 237.056,911 176.567,912 273.077,913 102.496,915 0.581,916 0.322,917 0.159,918 0.093,919 19,920 10,921 0.17,922 9,923 1,924 1.125,925 4.277,926 257.569,927 0.125,928 16,929 149.58,933 22.312,934 10.089,935 6.057,936 1.18,937 273.077,938 13.132,939 7.849,943 1.776,945 164.072,946 552.14,947 44.5,951 34.122,954 -3.029,956 52.44,957 57.571,958 0.301,959 0.704,960 0.86,961 0.945,962 0.952,963 0.952,964 5.039,965 1.47,966 5.861,967 5.12,968 4.511,969 5.081,970 3.081,971 6.621,972 4.463,973 6.245,974 1.418,975 7.398,976 3.764,977 4.111,978 4.924,979 2.882,980 7.448,981 4.052,982 7.544,983 1.133,984 9.032,985 3.477,986 6.066,987 7.26,988 4.381,989 10.477,990 5.979,991 8.875,992 1,993 10.72,994 2.627,995 6.431,996 7.892,997 4.828,998 12.105,999 6.334,1000 10.234,1001 0.938,1002 12.444,1003 2.275,1004 7.881,1005 9.749,1006 5.947,1007 14.656,1008 7.758,1009 11.613,1010 0.681,1011 14.191,1012 2.184,1013 8.603,1014 10.779,1015 6.631,1016 16.633,1017 8.466,1018 13.008,1019 0.339,1020 15.957,1021 1.628,1022 9.842,1023 12.431,1024 7.604,1025 19.012,1026 9.681,1027 3.043,1028 -0.066,1029 17.737,1030 0.766,1031 10.743,1032 13.678,1033 8.385,1034 21.152,1035 10.565,1036 2.892,1037 10.064,1038 19.528,1039 -0.156,1040 11.889,1041 15.236,1042 9.295,1043 23.469,1044 11.689,1045 2.656,1046 8.889,1047 21.327,1048 4.455,1049 12.882,1050 16.6,1051 10.118,1052 25.686,1053 12.661,1054 2.434,1055 7.911,1056 23.135,1057 3.771,1058 13.989,1059 18.116,1060 11,1061 27.982,1062 13.747,1063 2.243,1064 7.029,1065 24.948,1066 3.17,1067 15.029,1068 19.541,1069 11.843,1070 30.238,1071 14.764,1072 2.169,1073 6.531,1074 26.767,1075 3.088,1076 16.123,1077 21.039,1078 12.712,1079 32.528,1080 15.835,1081 1.966,1082 5.686,1083 28.591,1084 2.944,1085 17.187,1086 22.495,1087 13.563,1088 34.804,1089 16.875,1090 13923,1091 26783,1092 21.383,1093 33.841,1094 49.302,1095 50.911,1096 50.456,1097 48.844,1098 48.763,1099 64.648,1100 13.149,1101 135.902,1102 47.519,1103 5.421,1104 5.777,1105 6.023,1106 5.086,1107 5.043,1108 7.455,1109 3.989,1110 16.748,1111 4.958,1112 18.708,1113 1.494,1114 1.543,1115 1.529,1116 1.48,1117 1.478,1118 1.959,1119 0.398,1120 4.118,1121 1.44,1122 4.069,1123 4.098,1124 4.033,1125 3.982,1126 7.477,1127 3.99,1128 3.937,1129 3.966,1130 3.887,1131 3.855,1132 7.471,1133 3.857,1134 3.759,1135 3.796,1136 3.672,1137 3.587,1138 7.428,1139 3.598,1140 3.52,1141 3.572,1142 3.448,1143 3.334,1144 6.476,1145 3.355,1146 3.448,1147 3.463,1148 3.386,1149 3.182,1150 6.352,1151 3.228,1152 3.257,1153 3.281,1154 3.21,1155 3.022,1156 6.35,1157 3.059,1158 3.088,1159 3.127,1160 2.994,1161 2.894,1162 4.988,1163 2.909,1164 2.962,1165 3.016,1166 2.855,1167 2.735,1168 4.737,1169 2.736,1170 0.137,1171 0.114,1172 0.196,1173 0.122,1174 0.092,1175 4.51,1176 0.135,1177 3.777,1178 0.072,1179 6.478,1180 0.305,1181 4.014,1182 0.09,1183 3.043,1184 4.455,1185 2.375,1186 10.064,1187 2.958,1188 2.016,1189 1.992,1190 2.09,1191 2.121,1192 1.233,1193 2.112,1194 1.907,1195 1.883,1196 2.004,1197 2.017,1198 1.22,1199 2.013,1200 1.702,1201 1.661,1202 1.896,1203 1.9,1204 1.086,1205 1.896,1206 1.45,1207 1.398,1208 1.606,1209 1.673,1210 0.744,1211 1.655,1212 1.308,1213 1.286,1214 1.47,1215 1.603,1216 0.582,1217 1.558,1218 1.142,1219 1.107,1220 1.339,1221 1.407,1222 0.336,1223 1.376,1224 1.005,1225 0.972,1226 1.181,1227 1.275,1228 0.22,1229 1.236,1230 0.886,1231 0.821,1232 1.172,1233 1.171,1234 0.218,1235 1.138,1236 4.205,1238 5.509,1240 6.997,1242 8.568,1244 10.187,1251 27.685,1252 -0.118,1253 5.519,1256 -1.283,1262 33.589,1263 87.107,1264 203.726,1265 248.887,1266 273.294,1267 275.294,1268 275.294,1269 86.932,1270 7.521,1271 161.74,1272 161.74,1273 18,1274 12.401,1275 4.392,1276 3.644,1277 58.691,1278 161,1279 132,1280 0.178,1281 208.983,1282 369.78,1283 501.678,1284 20765,1286 22.38,1287 0.722,1288 0.525,1289 22.38,1290 16.278,1291 14.829,1292 0.449,1293 0.283,1294 9.195,1295 14.141,1296 9.065,1297 7.479,1298 14.829,1299 9.352,1300 13.558,1301 0.301,1302 0.151,1303 13.558,1304 6.776,1305 10.533,1306 0.192,1307 0.083,1308 10.533,1309 4.573,1310 8.051,1311 0.122,1312 0.044,1313 8.051,1314 2.91,1315 6.717,1316 0.08,1317 0.023,1318 6.717,1319 1.961,1320 0.291,1321 94.211,1322 0.216,1323 29.919,1324 0.457,1325 156,1326 573.612,1327 176.557,1328 546.184,1329 709.68,1330 502,1331 178,1332 491.592,1333 195.571,1334 494.113,1335 712.13,1336 463,1337 7.971}